#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sij s ILE 2 N 0.00 0.61 -0.13 1.12 -4.36 -0.28 -4.98 121.20 113.18 1sij s ILE 2 Ca 0.00 -0.82 -0.21 0.00 -0.26 0.00 0.00 60.65 59.36 1sij s ILE 2 Cb 0.00 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 1sij s ILE 2 CO 0.00 -0.17 0.61 -1.58 0.24 0.00 0.00 174.94 174.04 1sij s GLN 3 N -1.09 4.33 -0.23 0.37 0.74 -1.26 -1.91 119.66 120.62 1sij s GLN 3 Ca -0.04 0.67 -0.00 0.00 0.05 0.00 0.00 55.36 56.03 1sij s GLN 3 Cb -0.07 -3.49 0.06 0.00 1.10 0.00 0.00 33.01 30.61 1sij s GLN 3 CO 0.00 -0.01 -0.03 0.15 -0.55 0.00 0.00 175.29 174.85 1sij s LYS 4 N 1.13 1.38 -0.49 1.67 1.02 0.37 -5.00 119.74 119.82 1sij s LYS 4 Ca 0.31 -0.88 -0.23 0.00 0.02 0.00 0.00 55.97 55.20 1sij s LYS 4 Cb -0.16 -2.48 0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1sij s LYS 4 CO 0.13 -0.62 0.80 0.08 -0.92 0.00 0.00 175.35 174.82 1sij s VAL 5 N 1.50 4.61 0.42 3.17 1.01 -1.26 -1.50 120.40 128.34 1sij s VAL 5 Ca -0.04 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1sij s VAL 5 Cb -0.18 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1sij s VAL 5 CO -0.07 -0.86 0.16 0.27 0.00 0.00 0.00 175.10 174.60 1sij s ILE 6 N 3.36 0.44 -0.18 2.22 -4.36 -0.68 -0.71 121.20 121.30 1sij s ILE 6 Ca 0.27 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.64 1sij s ILE 6 Cb -0.14 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 1sij s ILE 6 CO 0.19 0.00 -0.10 -0.89 0.24 0.00 0.00 174.94 174.38 1sij s THR 7 N -3.19 3.04 -0.21 8.37 2.01 0.11 -0.04 115.64 125.73 1sij s THR 7 Ca 0.24 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1sij s THR 7 Cb 0.01 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1sij s THR 7 CO 0.17 0.48 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.72 1sij s VAL 8 N 1.00 2.13 -1.50 3.82 1.01 0.04 -0.03 120.40 126.87 1sij s VAL 8 Ca -0.01 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 1sij s VAL 8 Cb -0.15 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.27 1sij s VAL 8 CO -0.01 0.32 1.01 0.59 0.00 0.00 0.00 175.10 177.02 1sij n ASN 9 N 4.55 -5.17 0.00 3.32 3.02 0.52 -1.54 115.26 119.96 1sij n ASN 9 Ca -0.18 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1sij n ASN 9 Cb 0.47 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 1sij n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sij n GLY 10 N -1.75 1.36 3.38 7.41 0.00 -1.26 -4.89 105.19 109.45 1sij n GLY 10 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1sij n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sij s ILE 11 N -3.63 3.17 0.06 -0.61 1.01 -0.59 -5.08 121.20 115.53 1sij s ILE 11 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.73 1sij s ILE 11 Cb 0.00 -2.35 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 1sij s ILE 11 CO 0.00 0.52 1.74 -0.70 0.00 0.00 0.00 174.94 176.50 1sij s GLU 12 N 0.40 4.17 -0.13 2.79 2.12 -1.26 -0.78 118.70 126.00 1sij s GLU 12 Ca -0.09 2.41 -0.00 0.00 0.36 0.00 0.00 54.97 57.65 1sij s GLU 12 Cb -0.16 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1sij s GLU 12 CO 0.05 -0.81 -0.13 -0.65 -0.54 0.00 0.00 175.26 173.18 1sij s GLN 13 N 3.11 3.38 -0.99 4.30 -1.52 0.94 -4.92 119.66 123.96 1sij s GLN 13 Ca 0.78 -0.69 -0.16 0.00 -1.95 0.00 0.00 55.36 53.34 1sij s GLN 13 Cb -0.41 -2.64 0.16 0.00 -0.22 0.00 0.00 33.01 29.90 1sij s GLN 13 CO 0.34 0.19 1.14 1.21 -0.25 0.00 0.00 175.29 177.92 1sij s ASN 14 N 0.41 6.80 0.07 5.90 2.47 -1.26 -1.68 114.94 127.65 1sij s ASN 14 Ca -0.10 -2.48 -0.22 0.00 0.42 0.00 0.00 52.86 50.48 1sij s ASN 14 Cb -0.16 -2.36 -0.06 0.00 -1.45 0.00 0.00 41.25 37.22 1sij s ASN 14 CO 0.05 -0.86 0.65 -0.76 -3.72 0.00 0.00 177.10 172.46 1sij s LEU 15 N 1.75 4.51 -0.21 3.21 1.43 -0.56 -4.94 118.68 123.86 1sij s LEU 15 Ca 0.33 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 1sij s LEU 15 Cb -0.05 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.18 1sij s LEU 15 CO -0.07 0.18 -0.08 -0.36 0.23 0.00 0.00 176.35 176.26 1sij s PHE 16 N -0.75 2.39 0.04 0.29 0.40 -1.26 -0.48 117.98 118.61 1sij s PHE 16 Ca 0.32 -1.65 -0.03 0.00 -0.60 0.00 0.00 56.93 54.97 1sij s PHE 16 Cb -0.20 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 1sij s PHE 16 CO 0.21 -0.75 0.02 0.14 0.70 0.00 0.00 175.22 175.54 1sij s VAL 17 N 1.40 0.16 0.02 -0.44 -7.23 -0.80 -4.97 120.40 108.54 1sij s VAL 17 Ca -0.03 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1sij s VAL 17 Cb -0.17 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1sij s VAL 17 CO -0.07 -0.72 1.12 -0.62 -0.31 0.00 0.00 175.10 174.50 1sij s ASP 18 N -2.26 7.18 0.55 4.85 -1.08 -1.26 -1.13 116.67 123.52 1sij s ASP 18 Ca -0.03 1.85 0.25 0.00 -0.52 0.00 0.00 52.55 54.10 1sij s ASP 18 Cb 0.00 -2.57 1.44 0.00 -1.46 0.00 0.00 42.92 40.33 1sij s ASP 18 CO -0.06 -0.41 2.04 0.00 0.52 0.00 0.00 175.17 177.27 1sij h ALA 19 N 6.88 2.23 -0.00 3.66 0.00 -1.93 -0.65 119.26 129.45 1sij h ALA 19 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sij h ALA 19 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sij h ALA 19 CO 0.80 -0.46 -0.23 0.39 0.00 0.00 0.00 179.25 179.75 1sij n GLU 20 N -4.23 0.09 -2.20 0.00 -0.58 -1.26 -1.68 120.64 110.78 1sij n GLU 20 Ca 0.06 -0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 1sij n GLU 20 Cb 0.46 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1sij n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sij s ALA 21 N -2.93 2.87 0.23 0.62 0.00 -0.25 -4.72 121.76 117.57 1sij s ALA 21 Ca 0.15 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1sij s ALA 21 Cb 0.18 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 1sij s ALA 21 CO 0.60 -0.78 1.02 -0.51 0.00 0.00 0.00 175.76 176.08 1sij s LEU 22 N -3.32 4.58 0.37 0.00 1.43 -1.26 -1.23 118.68 119.26 1sij s LEU 22 Ca 0.67 2.05 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1sij s LEU 22 Cb -0.29 -3.61 0.72 0.00 0.03 0.00 0.00 46.19 43.05 1sij s LEU 22 CO 0.34 -0.02 2.03 0.25 0.23 0.00 0.00 176.35 179.18 1sij h LEU 23 N 4.38 0.63 -0.38 1.79 5.85 -0.39 -1.80 115.31 125.38 1sij h LEU 23 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1sij h LEU 23 Cb 1.21 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1sij h LEU 23 CO 0.69 0.45 0.25 0.77 -0.34 0.00 0.00 178.44 180.26 1sij h SER 24 N 0.74 0.44 -0.63 1.25 4.64 -1.34 0.01 113.55 118.66 1sij h SER 24 Ca 0.20 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1sij h SER 24 Cb -0.09 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 1sij h SER 24 CO -0.04 0.33 0.29 0.44 -0.87 0.00 0.00 176.83 176.97 1sij h ASP 25 N 0.52 0.84 0.29 4.97 3.32 -1.72 -1.53 116.42 123.11 1sij h ASP 25 Ca 0.14 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1sij h ASP 25 Cb -0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1sij h ASP 25 CO -0.03 0.75 -0.14 0.58 -1.72 0.00 0.00 179.24 178.68 1sij h VAL 26 N 0.88 0.75 -0.57 -1.35 2.07 -1.01 0.86 116.25 117.87 1sij h VAL 26 Ca 0.22 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1sij h VAL 26 Cb 0.14 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1sij h VAL 26 CO -0.02 0.08 0.36 -0.07 0.02 0.00 0.00 177.57 177.93 1sij h LEU 27 N -0.59 0.60 0.02 2.57 3.38 -1.00 -1.62 115.31 118.67 1sij h LEU 27 Ca -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sij h LEU 27 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sij h LEU 27 CO 0.07 0.43 -0.01 0.03 0.09 0.00 0.00 178.44 179.04 1sij h ARG 28 N 0.72 -0.03 0.00 1.13 3.08 -1.23 0.27 114.38 118.32 1sij h ARG 28 Ca 0.22 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 1sij h ARG 28 Cb -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1sij h ARG 28 CO -0.08 0.66 -0.87 1.96 -1.07 0.00 0.00 179.97 180.57 1sij h GLN 29 N -0.78 0.00 -0.18 0.04 4.20 -0.87 -2.36 115.11 115.16 1sij h GLN 29 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1sij h GLN 29 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1sij h GLN 29 CO 0.01 0.75 -0.68 1.96 -0.67 0.00 0.00 178.83 180.20 1sij h GLN 30 N -1.00 0.72 -0.01 1.46 4.20 -1.39 -3.33 115.11 115.77 1sij h GLN 30 Ca -0.21 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 57.96 1sij h GLN 30 Cb 1.04 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1sij h GLN 30 CO -0.13 1.15 -0.56 1.28 -0.67 0.00 0.00 178.83 179.91 1sij n LEU 31 N -3.94 1.32 -0.41 1.46 4.77 -0.73 -4.99 117.00 114.47 1sij n LEU 31 Ca -0.06 -0.65 -0.05 0.00 -0.03 0.00 0.00 56.01 55.22 1sij n LEU 31 Cb 0.69 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.76 1sij n LEU 31 CO 0.51 0.27 -0.05 0.61 -1.33 0.00 0.00 177.39 177.40 1sij n GLY 32 N 1.30 0.76 3.17 -0.72 0.00 -0.89 -4.94 105.19 103.88 1sij n GLY 32 Ca 0.05 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1sij n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sij n LEU 33 N -0.61 5.92 0.00 0.99 4.77 0.89 -4.74 117.00 124.22 1sij n LEU 33 Ca -0.05 -4.39 0.13 0.00 -0.03 0.00 0.00 56.01 51.66 1sij n LEU 33 Cb 0.25 -1.60 0.76 0.00 -2.33 0.00 0.00 43.42 40.51 1sij n LEU 33 CO 0.08 0.92 0.95 0.35 -1.33 0.00 0.00 177.39 178.37 1sij n THR 34 N 4.51 0.03 0.37 -5.08 -2.24 -1.26 -2.04 114.28 108.57 1sij n THR 34 Ca 0.42 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.33 1sij n THR 34 Cb 0.40 -0.59 0.53 0.00 -2.10 0.00 0.00 70.33 68.57 1sij n THR 34 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1sij h GLY 35 N 4.14 0.00 -7.21 3.38 0.00 -1.85 -3.37 103.07 98.16 1sij h GLY 35 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1sij h GLY 35 CO 0.00 0.00 0.80 0.14 0.00 0.00 0.00 176.54 177.48 1sij s VAL 36 N -3.38 4.08 0.08 4.60 1.01 -0.86 -4.69 120.40 121.24 1sij s VAL 36 Ca 0.03 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 1sij s VAL 36 Cb 0.09 -4.74 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 1sij s VAL 36 CO 0.40 -1.50 0.65 -0.54 0.00 0.00 0.00 175.10 174.11 1sij s LYS 37 N 4.76 4.34 -0.14 2.72 -0.14 -1.22 -4.90 119.74 125.16 1sij s LYS 37 Ca 0.32 0.88 0.02 0.00 -1.36 0.00 0.00 55.97 55.83 1sij s LYS 37 Cb -0.11 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.78 1sij s LYS 37 CO 0.16 0.55 -0.20 0.08 -0.76 0.00 0.00 175.35 175.19 1sij s VAL 38 N -0.90 1.90 0.00 3.17 1.01 -1.26 -1.63 120.40 122.69 1sij s VAL 38 Ca 0.32 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1sij s VAL 38 Cb -0.20 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1sij s VAL 38 CO 0.21 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1sij n GLY 39 N 4.26 0.32 0.23 4.51 0.00 -1.26 -4.81 105.19 108.45 1sij n GLY 39 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sij n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij n GLU 41 N -3.47 -1.39 -0.60 0.00 1.02 -1.26 -4.52 120.64 110.43 1sij n GLU 41 Ca -0.00 0.96 0.03 0.00 -0.02 0.00 0.00 57.16 58.13 1sij n GLU 41 Cb 0.39 -5.26 0.05 0.00 -0.02 0.00 0.00 31.44 26.60 1sij n GLU 41 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sij n GLN 42 N -1.98 0.42 -1.45 3.49 6.02 -1.26 -4.90 117.38 117.72 1sij n GLN 42 Ca -0.16 -1.73 -0.10 0.00 -0.01 0.00 0.00 57.00 54.99 1sij n GLN 42 Cb 0.54 -0.72 -0.04 0.00 1.02 0.00 0.00 30.24 31.04 1sij n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sij n GLY 43 N -0.32 0.98 0.00 1.08 0.00 -1.26 -4.90 105.19 100.77 1sij n GLY 43 Ca 0.06 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.60 1sij n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sij n GLN 44 N -2.58 2.59 -0.00 1.61 6.02 -1.26 -4.74 117.38 119.01 1sij n GLN 44 Ca -0.11 -0.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.87 1sij n GLN 44 Cb 0.38 -1.09 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 1sij n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sij n GLY 46 N 2.36 0.58 0.25 0.00 0.00 -1.08 -0.72 105.19 106.58 1sij n GLY 46 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1sij n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij h ALA 47 N 0.00 1.77 -0.45 4.61 0.00 -1.87 -1.75 119.26 121.57 1sij h ALA 47 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sij h ALA 47 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sij h ALA 47 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1sij n SER 49 N 0.54 3.55 -4.30 0.00 7.64 -0.66 -2.28 113.62 118.13 1sij n SER 49 Ca 0.21 1.02 -0.16 0.00 1.01 0.00 0.00 58.87 60.95 1sij n SER 49 Cb 0.93 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 1sij n SER 49 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1sij s VAL 50 N 2.47 1.29 -0.29 0.44 -7.23 -0.27 -4.65 120.40 112.16 1sij s VAL 50 Ca 0.84 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 58.77 1sij s VAL 50 Cb -0.61 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1sij s VAL 50 CO 0.41 -0.60 0.34 -0.63 -0.31 0.00 0.00 175.10 174.32 1sij s ILE 51 N -3.25 5.19 -0.24 -0.62 1.01 -0.42 -1.13 121.20 121.74 1sij s ILE 51 Ca 0.21 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 1sij s ILE 51 Cb 0.03 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1sij s ILE 51 CO 0.04 0.11 -0.06 -0.22 0.00 0.00 0.00 174.94 174.81 1sij s LEU 52 N 2.02 3.03 -1.32 2.97 2.96 0.79 -1.09 118.68 128.04 1sij s LEU 52 Ca 0.13 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.19 1sij s LEU 52 Cb -0.16 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1sij s LEU 52 CO 0.11 -0.09 0.30 0.47 -1.32 0.00 0.00 176.35 175.82 1sij n ASP 53 N 4.71 -1.35 0.00 3.68 8.00 -0.16 -0.77 116.55 130.66 1sij n ASP 53 Ca -0.17 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1sij n ASP 53 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1sij n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sij n GLY 54 N -2.29 0.92 3.46 0.44 0.00 -1.26 -5.02 105.19 101.44 1sij n GLY 54 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1sij n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sij s LYS 55 N -0.03 2.20 -0.32 1.61 1.02 0.05 -5.01 119.74 119.26 1sij s LYS 55 Ca 0.00 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1sij s LYS 55 Cb 0.00 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1sij s LYS 55 CO 0.00 0.56 0.85 0.08 -0.92 0.00 0.00 175.35 175.92 1sij s VAL 56 N -0.87 4.72 0.25 3.17 1.01 -1.26 -0.15 120.40 127.28 1sij s VAL 56 Ca 0.14 1.25 0.10 0.00 0.00 0.00 0.00 61.98 63.47 1sij s VAL 56 Cb -0.11 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1sij s VAL 56 CO 0.04 -0.33 -0.18 0.68 0.00 0.00 0.00 175.10 175.32 1sij s VAL 57 N 3.12 2.17 -0.42 2.92 -7.23 -0.28 -4.97 120.40 115.71 1sij s VAL 57 Ca 0.35 -2.32 -0.20 0.00 -1.81 0.00 0.00 61.98 58.00 1sij s VAL 57 Cb -0.14 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.63 1sij s VAL 57 CO 0.14 -0.48 0.59 -0.13 -0.31 0.00 0.00 175.10 174.91 1sij s ARG 58 N -3.56 3.30 0.63 4.82 0.52 -1.26 -1.11 118.95 122.30 1sij s ARG 58 Ca 0.27 -0.40 0.38 0.00 -0.52 0.00 0.00 55.73 55.46 1sij s ARG 58 Cb -0.03 -3.93 2.17 0.00 0.52 0.00 0.00 34.95 33.67 1sij s ARG 58 CO 0.12 -0.92 2.32 0.00 0.02 0.00 0.00 175.30 176.83 1sij h ALA 59 N 8.78 1.22 0.00 2.13 0.00 -1.81 -2.14 119.26 127.44 1sij h ALA 59 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sij h ALA 59 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1sij h ALA 59 CO 0.86 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1sij n VAL 61 N -2.53 1.53 -3.71 0.00 0.24 -0.83 -4.86 118.33 108.17 1sij n VAL 61 Ca 0.04 -1.83 -0.38 0.00 -2.04 0.00 0.00 64.34 60.12 1sij n VAL 61 Cb 0.39 -0.08 -0.12 0.00 -1.47 0.00 0.00 33.84 32.56 1sij n VAL 61 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1sij s THR 62 N -2.31 4.00 0.41 3.34 2.01 -1.07 -5.01 115.64 117.01 1sij s THR 62 Ca 0.25 -1.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 1sij s THR 62 Cb 0.22 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 1sij s THR 62 CO 0.02 -0.19 0.88 -0.54 -0.69 0.00 0.00 174.62 174.11 1sij s LYS 63 N 1.45 4.08 0.57 4.92 1.02 -1.26 -0.41 119.74 130.11 1sij s LYS 63 Ca -0.01 0.92 0.29 0.00 0.02 0.00 0.00 55.97 57.19 1sij s LYS 63 Cb -0.19 -2.26 1.70 0.00 -0.52 0.00 0.00 37.83 36.56 1sij s LYS 63 CO 0.04 -0.02 2.20 0.52 -0.92 0.00 0.00 175.35 177.16 1sij h MET 64 N 1.78 0.00 0.00 1.68 2.86 -0.94 -0.27 114.93 120.03 1sij h MET 64 Ca -0.48 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1sij h MET 64 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 1sij h MET 64 CO 0.62 0.04 -0.05 1.57 1.06 0.00 0.00 176.91 180.15 1sij h LYS 65 N 0.00 0.00 -0.00 1.72 2.10 -1.62 -0.54 116.57 118.23 1sij h LYS 65 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sij h LYS 65 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1sij h LYS 65 CO 0.01 0.05 -0.11 0.54 -2.00 0.00 0.00 179.45 177.94 1sij n ARG 66 N -3.39 0.65 -3.30 0.07 5.12 -0.11 -4.66 116.66 111.04 1sij n ARG 66 Ca -0.02 -0.22 -0.43 0.00 -1.93 0.00 0.00 57.85 55.26 1sij n ARG 66 Cb 0.19 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.91 1sij n ARG 66 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sij s VAL 67 N -2.50 5.07 0.61 1.55 1.01 -0.21 -5.06 120.40 120.87 1sij s VAL 67 Ca 0.28 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1sij s VAL 67 Cb 0.20 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1sij s VAL 67 CO 0.48 -0.40 1.03 0.00 0.00 0.00 0.00 175.10 176.22 1sij s ALA 68 N 2.20 2.89 0.18 5.51 0.00 -1.26 -4.97 121.76 126.31 1sij s ALA 68 Ca 0.13 0.15 -0.33 0.00 0.00 0.00 0.00 51.96 51.91 1sij s ALA 68 Cb -0.17 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 1sij s ALA 68 CO 0.14 -0.76 1.67 -0.25 0.00 0.00 0.00 175.76 176.56 1sij n ASP 69 N -2.39 3.62 -0.00 0.00 9.92 -1.26 -1.82 116.55 124.61 1sij n ASP 69 Ca 0.07 1.07 -0.00 0.00 -0.53 0.00 0.00 54.79 55.40 1sij n ASP 69 Cb 0.54 -1.51 -0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1sij n ASP 69 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sij n GLY 70 N 3.75 0.47 3.71 0.44 0.00 0.11 -5.02 105.19 108.65 1sij n GLY 70 Ca 0.17 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1sij n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij s ALA 71 N -2.00 1.88 -0.19 4.61 0.00 -0.76 -4.69 121.76 120.61 1sij s ALA 71 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1sij s ALA 71 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1sij s ALA 71 CO 0.00 -2.22 -0.15 -0.65 0.00 0.00 0.00 175.76 172.74 1sij s GLN 72 N -4.30 3.14 -0.06 0.00 -1.52 -1.26 -0.71 119.66 114.95 1sij s GLN 72 Ca 0.70 -0.76 0.04 0.00 -1.95 0.00 0.00 55.36 53.40 1sij s GLN 72 Cb -0.25 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 1sij s GLN 72 CO 0.51 -0.18 -0.19 0.42 -0.25 0.00 0.00 175.29 175.61 1sij s ILE 73 N 1.28 2.65 -0.13 1.08 1.01 0.96 -0.99 121.20 127.07 1sij s ILE 73 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1sij s ILE 73 Cb -0.14 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1sij s ILE 73 CO -0.08 0.57 -0.19 -0.89 0.00 0.00 0.00 174.94 174.36 1sij s THR 74 N -0.41 1.78 0.44 2.92 2.01 -0.25 -0.36 115.64 121.77 1sij s THR 74 Ca 0.04 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1sij s THR 74 Cb -0.12 -1.60 0.04 0.00 0.01 0.00 0.00 72.50 70.83 1sij s THR 74 CO 0.02 0.50 0.33 0.35 -0.69 0.00 0.00 174.62 175.12 1sij n THR 75 N 4.16 0.00 -0.10 -0.82 -2.24 -1.26 -1.31 114.28 112.71 1sij n THR 75 Ca -0.19 -1.74 0.06 0.00 -2.27 0.00 0.00 64.05 59.91 1sij n THR 75 Cb 0.51 -0.12 0.39 0.00 -2.10 0.00 0.00 70.33 69.01 1sij n THR 75 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1sij h ILE 76 N 0.63 1.05 0.00 2.28 6.09 -1.86 -1.45 117.51 124.26 1sij h ILE 76 Ca -0.28 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 1sij h ILE 76 Cb 1.01 0.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.64 1sij h ILE 76 CO 0.43 0.12 -0.03 -0.33 -3.07 0.00 0.00 178.15 175.27 1sij h GLU 77 N 0.66 0.00 0.00 2.19 3.07 -1.80 -1.99 114.58 116.70 1sij h GLU 77 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1sij h GLU 77 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1sij h GLU 77 CO -0.07 0.03 -0.81 0.78 -1.40 0.00 0.00 179.01 177.55 1sij h GLY 78 N 0.15 0.00 1.04 -3.84 0.00 -1.61 -3.34 103.07 95.46 1sij h GLY 78 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1sij h GLY 78 CO 0.00 0.00 -0.34 -2.08 0.00 0.00 0.00 176.54 174.12 1sij h VAL 79 N 0.00 1.29 0.00 4.60 2.07 -1.09 -3.48 116.25 119.63 1sij h VAL 79 Ca 0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1sij h VAL 79 Cb 0.89 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1sij h VAL 79 CO 0.00 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.69 1sij n GLY 80 N 0.18 1.43 3.35 2.17 0.00 -1.14 -4.24 105.19 106.94 1sij n GLY 80 Ca -0.03 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 1sij n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sij s GLN 81 N -2.00 1.37 0.40 1.61 1.11 -0.86 -4.57 119.66 116.73 1sij s GLN 81 Ca 0.00 -1.68 0.21 0.00 0.01 0.00 0.00 55.36 53.90 1sij s GLN 81 Cb 0.00 -0.83 1.19 0.00 -1.01 0.00 0.00 33.01 32.36 1sij s GLN 81 CO 0.00 -0.01 1.72 -1.35 0.01 0.00 0.00 175.29 175.66 1sij h PRO 82 N 2.45 0.30 -0.12 2.91 0.11 -1.94 0.42 132.00 136.13 1sij h PRO 82 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1sij h PRO 82 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sij h PRO 82 CO 0.65 0.20 0.00 -1.91 -0.21 0.00 0.00 178.00 176.73 1sij n GLU 83 N -4.68 1.96 -3.01 1.05 4.07 -1.26 -4.48 120.64 114.28 1sij n GLU 83 Ca 0.29 -1.42 -0.15 0.00 -0.06 0.00 0.00 57.16 55.82 1sij n GLU 83 Cb 1.04 -1.46 0.01 0.00 -0.06 0.00 0.00 31.44 30.97 1sij n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1sij n ASN 84 N 0.68 -0.50 -4.75 4.31 5.15 0.14 -5.13 115.26 115.17 1sij n ASN 84 Ca 0.17 -3.23 -0.41 0.00 -0.60 0.00 0.00 54.58 50.51 1sij n ASN 84 Cb 0.44 0.37 -0.04 0.00 -0.53 0.00 0.00 39.78 40.03 1sij n ASN 84 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sij s LEU 85 N -2.17 4.49 0.47 1.20 1.43 -1.01 -2.03 118.68 121.07 1sij s LEU 85 Ca 0.33 2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 1sij s LEU 85 Cb 0.31 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 1sij s LEU 85 CO -0.08 -0.27 1.08 -2.28 0.23 0.00 0.00 176.35 175.03 1sij s HIS 86 N -0.47 2.98 0.43 0.29 5.65 -1.26 -4.86 115.29 118.05 1sij s HIS 86 Ca 0.49 1.58 0.25 0.00 0.25 0.00 0.00 55.06 57.64 1sij s HIS 86 Cb -0.32 -3.17 1.29 0.00 -1.18 0.00 0.00 32.58 29.20 1sij s HIS 86 CO 0.38 -1.03 1.70 -1.35 -0.65 0.00 0.00 174.74 173.79 1sij h PRO 87 N 1.80 0.21 -0.15 2.88 0.11 -1.94 0.31 132.00 135.22 1sij h PRO 87 Ca -0.49 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1sij h PRO 87 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1sij h PRO 87 CO 0.60 0.14 -0.37 -0.07 -0.21 0.00 0.00 178.00 178.08 1sij h LEU 88 N 0.22 0.34 -0.08 2.35 3.38 -1.92 -0.31 115.31 119.29 1sij h LEU 88 Ca 0.70 -0.13 -0.25 0.00 0.09 0.00 0.00 57.88 58.29 1sij h LEU 88 Cb 2.07 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.74 1sij h LEU 88 CO -0.33 0.69 -1.01 1.56 0.09 0.00 0.00 178.44 179.43 1sij h GLN 89 N 0.28 0.52 -0.42 1.13 4.20 -1.35 -2.18 115.11 117.29 1sij h GLN 89 Ca 0.03 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.12 1sij h GLN 89 Cb 0.79 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1sij h GLN 89 CO 0.06 1.21 0.09 0.87 -0.67 0.00 0.00 178.83 180.39 1sij h LYS 90 N 0.28 0.67 -0.80 1.46 1.57 -1.14 -2.69 116.57 115.92 1sij h LYS 90 Ca -0.11 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1sij h LYS 90 Cb 1.66 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.85 1sij h LYS 90 CO 0.18 0.69 0.33 0.00 -0.57 0.00 0.00 179.45 180.09 1sij h ALA 91 N 0.95 1.04 -0.41 3.86 0.00 -1.07 -1.72 119.26 121.92 1sij h ALA 91 Ca 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sij h ALA 91 Cb 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1sij h ALA 91 CO 0.00 0.66 0.25 2.35 0.00 0.00 0.00 179.25 182.51 1sij h TRP 92 N 1.17 0.46 -0.11 0.00 2.91 -1.34 -1.32 115.95 117.72 1sij h TRP 92 Ca 0.27 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.30 1sij h TRP 92 Cb 0.20 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 1sij h TRP 92 CO 0.02 0.27 0.06 0.28 -1.03 0.00 0.00 178.44 178.04 1sij h VAL 93 N 0.50 1.07 -0.34 2.65 2.07 -1.24 0.70 116.25 121.65 1sij h VAL 93 Ca 0.16 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1sij h VAL 93 Cb 0.00 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1sij h VAL 93 CO -0.07 0.06 -0.08 0.25 0.02 0.00 0.00 177.57 177.74 1sij h LEU 94 N 0.10 0.55 -1.73 2.57 5.85 -1.20 -2.84 115.31 118.61 1sij h LEU 94 Ca 0.04 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1sij h LEU 94 Cb 0.04 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1sij h LEU 94 CO -0.01 0.68 0.00 1.41 -0.34 0.00 0.00 178.44 180.18 1sij n HIS 95 N -4.21 0.23 -2.21 1.25 8.25 -0.51 -4.92 115.22 113.10 1sij n HIS 95 Ca 0.01 -0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 1sij n HIS 95 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1sij n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sij n GLY 96 N 1.33 -0.09 0.25 -1.41 0.00 -0.33 -4.86 105.19 100.08 1sij n GLY 96 Ca 0.17 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1sij n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sij h GLY 97 N 0.00 0.00 -7.19 -0.02 0.00 -1.21 -3.38 103.07 91.27 1sij h GLY 97 Ca -0.29 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.38 1sij h GLY 97 CO 0.35 0.00 0.27 0.00 0.00 0.00 0.00 176.54 177.16 1sij s ALA 98 N -3.98 3.29 0.00 3.60 0.00 -1.26 -4.84 121.76 118.56 1sij s ALA 98 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1sij s ALA 98 Cb 0.12 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1sij s ALA 98 CO 0.60 -2.29 0.00 1.04 0.00 0.00 0.00 175.76 175.11 1sij n GLN 99 N 6.78 0.00 0.18 0.00 6.02 -1.26 -4.69 117.38 124.41 1sij n GLN 99 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.98 1sij n GLN 99 Cb 0.45 -0.01 0.34 0.00 1.02 0.00 0.00 30.24 32.05 1sij n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sij n GLY 101 N -0.17 0.85 0.20 0.00 0.00 -1.26 -4.68 105.19 100.13 1sij n GLY 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sij n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sij h PHE 102 N 0.00 0.17 0.00 1.61 3.04 -1.91 -2.89 116.94 116.96 1sij h PHE 102 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1sij h PHE 102 Cb 0.00 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1sij h PHE 102 CO 0.00 0.48 -0.70 0.00 -2.02 0.00 0.00 178.31 176.07 1sij h SER 104 N 0.00 -0.21 -0.18 0.00 0.02 -1.82 -0.66 113.55 110.69 1sij h SER 104 Ca 0.00 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1sij h SER 104 Cb 0.59 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 1sij h SER 104 CO 0.00 -0.09 -0.11 -0.65 -1.14 0.00 0.00 176.83 174.84 1sij h PRO 105 N -0.06 -0.09 -0.64 3.45 0.11 -1.77 -0.22 132.00 132.77 1sij h PRO 105 Ca 0.07 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.22 1sij h PRO 105 Cb 0.16 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 1sij h PRO 105 CO -0.15 -0.06 0.38 0.78 -0.21 0.00 0.00 178.00 178.74 1sij h GLY 106 N -0.10 0.92 0.91 -0.55 0.00 -1.58 0.12 103.07 102.81 1sij h GLY 106 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1sij h GLY 106 CO -0.24 0.22 0.11 0.74 0.00 0.00 0.00 176.54 177.37 1sij h PHE 107 N 0.74 0.40 -0.40 5.60 -1.00 -0.82 0.67 116.94 122.13 1sij h PHE 107 Ca 0.27 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.95 1sij h PHE 107 Cb 0.07 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1sij h PHE 107 CO -0.06 0.40 -0.00 0.82 -1.61 0.00 0.00 178.31 177.86 1sij h ILE 108 N 0.29 1.26 -0.21 -0.55 2.04 -0.88 0.17 117.51 119.63 1sij h ILE 108 Ca 0.09 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1sij h ILE 108 Cb 0.16 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1sij h ILE 108 CO -0.01 0.34 0.12 0.58 0.00 0.00 0.00 178.15 179.18 1sij h VAL 109 N 0.54 1.10 -0.51 1.67 2.07 -0.91 -0.99 116.25 119.22 1sij h VAL 109 Ca 0.11 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1sij h VAL 109 Cb 0.48 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1sij h VAL 109 CO 0.02 0.10 0.30 -1.28 0.02 0.00 0.00 177.57 176.73 1sij h SER 110 N 0.24 0.48 -0.10 0.57 0.87 -0.71 -2.10 113.55 112.80 1sij h SER 110 Ca 0.07 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1sij h SER 110 Cb 0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1sij h SER 110 CO -0.01 0.34 0.02 0.00 -0.53 0.00 0.00 176.83 176.65 1sij h ALA 111 N 1.23 1.73 -0.41 6.23 0.00 -0.45 -1.39 119.26 126.20 1sij h ALA 111 Ca 0.20 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1sij h ALA 111 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sij h ALA 111 CO -0.10 0.21 -0.35 -0.22 0.00 0.00 0.00 179.25 178.80 1sij h LYS 112 N 0.24 0.95 -0.92 0.00 3.64 -0.55 -0.74 116.57 119.19 1sij h LYS 112 Ca 0.06 -0.48 0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1sij h LYS 112 Cb 0.13 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1sij h LYS 112 CO -0.00 1.15 0.60 0.78 -2.27 0.00 0.00 179.45 179.70 1sij h GLY 113 N 0.78 1.34 1.00 5.01 0.00 -0.86 -1.67 103.07 108.67 1sij h GLY 113 Ca 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1sij h GLY 113 CO 0.09 0.39 -0.07 -2.00 0.00 0.00 0.00 176.54 174.95 1sij h LEU 114 N 1.16 -0.17 -1.23 3.11 5.85 -0.88 -3.12 115.31 120.02 1sij h LEU 114 Ca 0.37 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 1sij h LEU 114 Cb 0.00 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1sij h LEU 114 CO -0.12 -0.12 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.53 1sij h LEU 115 N -0.21 0.00 -0.67 2.25 3.38 -0.99 0.41 115.31 119.48 1sij h LEU 115 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sij h LEU 115 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sij h LEU 115 CO 0.03 0.27 0.00 0.44 0.09 0.00 0.00 178.44 179.27 1sij h ASP 116 N 0.00 0.00 0.00 -0.43 3.32 -1.27 -3.20 116.42 114.84 1sij h ASP 116 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1sij h ASP 116 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1sij h ASP 116 CO 0.03 0.00 -1.34 0.35 -1.72 0.00 0.00 179.24 176.56 1sij n THR 117 N -2.46 0.34 -3.70 0.35 -2.24 -0.72 -4.89 114.28 100.96 1sij n THR 117 Ca 0.03 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1sij n THR 117 Cb 0.30 -0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 67.55 1sij n THR 117 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sij s ASN 118 N -3.76 3.77 0.36 3.42 3.84 0.14 -5.02 114.94 117.68 1sij s ASN 118 Ca -0.03 -2.08 0.10 0.00 0.21 0.00 0.00 52.86 51.06 1sij s ASN 118 Cb 0.02 -0.88 0.69 0.00 -0.55 0.00 0.00 41.25 40.52 1sij s ASN 118 CO 0.19 -0.35 1.83 0.00 -2.79 0.00 0.00 177.10 175.99 1sij h ALA 119 N 7.45 1.37 -2.14 1.71 0.00 -1.77 -3.34 119.26 122.54 1sij h ALA 119 Ca -0.07 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.97 1sij h ALA 119 Cb 0.98 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.28 1sij h ALA 119 CO 0.45 0.45 -0.82 -3.47 0.00 0.00 0.00 179.25 175.86 1sij n ASP 120 N -4.15 2.59 -4.80 0.00 2.03 -1.26 -4.86 116.55 106.10 1sij n ASP 120 Ca -0.01 -3.24 -0.34 0.00 0.52 0.00 0.00 54.79 51.71 1sij n ASP 120 Cb 0.37 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 1sij n ASP 120 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1sij s PRO 121 N -2.35 3.77 0.84 -0.67 0.04 -1.25 -5.06 135.00 130.32 1sij s PRO 121 Ca 0.41 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1sij s PRO 121 Cb 0.21 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.75 1sij s PRO 121 CO -0.07 -0.45 1.13 -1.54 0.04 0.00 0.00 177.00 176.10 1sij s SER 122 N -2.01 4.16 0.32 6.66 1.04 -1.26 -4.90 113.70 117.70 1sij s SER 122 Ca 0.67 1.06 0.01 0.00 0.48 0.00 0.00 55.95 58.17 1sij s SER 122 Cb -0.16 -1.70 0.55 0.00 0.10 0.00 0.00 66.02 64.81 1sij s SER 122 CO 0.21 -2.15 1.95 0.03 0.98 0.00 0.00 173.24 174.25 1sij h ARG 123 N -1.22 0.96 -0.54 4.02 3.08 -1.97 -2.09 114.38 116.61 1sij h ARG 123 Ca -0.48 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.40 1sij h ARG 123 Cb 1.30 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1sij h ARG 123 CO 0.62 0.64 -0.08 0.93 -1.07 0.00 0.00 179.97 181.01 1sij h GLU 124 N 0.99 1.02 -0.41 0.04 5.08 -1.99 -1.85 114.58 117.46 1sij h GLU 124 Ca 0.33 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1sij h GLU 124 Cb 0.07 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1sij h GLU 124 CO -0.10 1.05 0.04 -0.44 -1.00 0.00 0.00 179.01 178.56 1sij h ASP 125 N 0.89 -0.09 0.04 1.42 3.32 -1.81 0.18 116.42 120.37 1sij h ASP 125 Ca 0.14 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1sij h ASP 125 Cb 0.65 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1sij h ASP 125 CO 0.04 -0.01 -0.13 0.58 -1.72 0.00 0.00 179.24 178.00 1sij h VAL 126 N 0.15 0.68 -0.28 -1.35 2.07 -1.13 -0.06 116.25 116.33 1sij h VAL 126 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1sij h VAL 126 Cb 0.27 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1sij h VAL 126 CO -0.30 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.40 1sij h ARG 127 N -0.25 0.19 -0.65 1.57 3.08 -1.11 -1.20 114.38 116.02 1sij h ARG 127 Ca 0.04 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.19 1sij h ARG 127 Cb 0.28 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 1sij h ARG 127 CO -0.11 0.13 0.21 -0.44 -1.07 0.00 0.00 179.97 178.69 1sij h ASP 128 N 0.20 0.15 -0.16 7.04 3.45 -0.36 -0.43 116.42 126.31 1sij h ASP 128 Ca 0.13 0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 1sij h ASP 128 Cb 0.11 0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1sij h ASP 128 CO -0.15 0.07 0.03 -0.25 -1.57 0.00 0.00 179.24 177.37 1sij h TRP 129 N 0.36 0.29 0.00 4.55 2.91 -0.50 -0.88 115.95 122.68 1sij h TRP 129 Ca 0.35 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.27 1sij h TRP 129 Cb 0.50 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1sij h TRP 129 CO -0.20 0.44 -0.28 0.74 -1.03 0.00 0.00 178.44 178.10 1sij h PHE 130 N 0.05 0.00 -0.06 2.65 0.05 -0.96 -0.93 116.94 117.74 1sij h PHE 130 Ca 0.05 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 1sij h PHE 130 Cb 0.31 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.26 1sij h PHE 130 CO 0.02 0.28 -0.09 0.37 -0.18 0.00 0.00 178.31 178.72 1sij h GLN 131 N 0.00 0.16 -0.66 1.51 5.75 -0.95 -0.61 115.11 120.31 1sij h GLN 131 Ca -0.00 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1sij h GLN 131 Cb 0.55 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1sij h GLN 131 CO 0.04 0.65 0.39 -0.22 -2.65 0.00 0.00 178.83 177.05 1sij h LYS 132 N -0.33 0.89 -0.24 1.69 3.64 -0.90 -2.53 116.57 118.79 1sij h LYS 132 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sij h LYS 132 Cb 0.64 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1sij h LYS 132 CO 0.02 0.64 0.00 0.72 -2.27 0.00 0.00 179.45 178.56 1sij n HIS 133 N -4.57 0.31 -2.83 1.91 8.25 -0.38 -4.94 115.22 112.96 1sij n HIS 133 Ca 0.05 -0.15 -0.21 0.00 -0.26 0.00 0.00 57.72 57.15 1sij n HIS 133 Cb 0.06 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.19 1sij n HIS 133 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sij n ARG 134 N 0.52 -3.94 -2.31 -0.41 1.74 -0.60 -4.57 116.66 107.09 1sij n ARG 134 Ca 0.16 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.71 1sij n ARG 134 Cb 0.36 -5.64 -0.02 0.00 -1.02 0.00 0.00 32.46 26.14 1sij n ARG 134 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sij s ASN 135 N -2.57 6.18 -0.07 0.55 0.01 -0.34 -2.64 114.94 116.06 1sij s ASN 135 Ca 0.22 0.69 -0.05 0.00 -0.71 0.00 0.00 52.86 53.01 1sij s ASN 135 Cb -0.10 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1sij s ASN 135 CO 0.27 -1.59 0.14 0.00 -1.51 0.00 0.00 177.10 174.41 1sij s ALA 136 N 5.94 3.83 -0.01 0.60 0.00 0.10 -4.66 121.76 127.56 1sij s ALA 136 Ca 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1sij s ALA 136 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1sij s ALA 136 CO 0.30 0.66 0.02 0.00 0.00 0.00 0.00 175.76 176.74 1sij n ARG 138 N 3.77 1.26 -0.08 0.00 3.00 -1.26 -4.66 116.66 118.69 1sij n ARG 138 Ca -0.22 -0.02 -0.21 0.00 -0.00 0.00 0.00 57.85 57.40 1sij n ARG 138 Cb 0.54 -1.32 -0.12 0.00 0.00 0.00 0.00 32.46 31.55 1sij n ARG 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sij n THR 140 N -3.56 0.00 -1.47 0.00 -2.24 -1.26 -3.53 114.28 102.21 1sij n THR 140 Ca -0.41 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.01 1sij n THR 140 Cb 0.97 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 1sij n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 141 N 1.44 1.53 4.40 3.38 0.00 -1.26 -3.86 105.19 110.83 1sij n GLY 141 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sij n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sij n TYR 142 N -2.59 0.00 -0.13 1.61 4.02 -1.26 -4.78 117.16 114.04 1sij n TYR 142 Ca -0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.69 1sij n TYR 142 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.85 1sij n TYR 142 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1sij h LYS 143 N 0.00 -0.03 0.00 -0.72 3.64 -1.91 -1.05 116.57 116.49 1sij h LYS 143 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1sij h LYS 143 Cb 0.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sij h LYS 143 CO 0.00 -0.02 -0.09 -1.35 -2.27 0.00 0.00 179.45 175.72 1sij h PRO 144 N -0.03 0.00 -0.19 1.90 0.11 -1.86 0.71 132.00 132.63 1sij h PRO 144 Ca 0.20 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 1sij h PRO 144 Cb 0.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1sij h PRO 144 CO -0.45 0.09 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.09 1sij h LEU 145 N 0.00 0.57 -0.29 2.35 3.38 -1.57 -1.07 115.31 118.67 1sij h LEU 145 Ca -0.00 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1sij h LEU 145 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1sij h LEU 145 CO 0.01 0.97 0.13 0.58 0.09 0.00 0.00 178.44 180.22 1sij h VAL 146 N 0.18 1.17 -0.91 1.22 2.07 -0.97 -0.99 116.25 118.02 1sij h VAL 146 Ca 0.02 -0.50 0.24 0.00 0.82 0.00 0.00 66.70 67.27 1sij h VAL 146 Cb 0.84 0.96 -0.13 0.00 -1.52 0.00 0.00 31.29 31.44 1sij h VAL 146 CO 0.06 0.18 0.40 0.44 0.02 0.00 0.00 177.57 178.67 1sij h ASP 147 N 0.33 0.32 -0.19 0.57 3.45 -0.79 -1.10 116.42 119.01 1sij h ASP 147 Ca 0.10 0.16 -0.16 0.00 0.43 0.00 0.00 57.03 57.57 1sij h ASP 147 Cb 0.16 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1sij h ASP 147 CO -0.01 -0.03 -0.49 0.00 -1.57 0.00 0.00 179.24 177.13 1sij h ALA 148 N 1.74 0.32 0.23 3.45 0.00 -0.58 -2.47 119.26 121.94 1sij h ALA 148 Ca 0.58 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sij h ALA 148 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sij h ALA 148 CO -0.55 0.49 -0.20 0.28 0.00 0.00 0.00 179.25 179.27 1sij h VAL 149 N 0.36 0.58 -0.69 0.00 2.07 -0.47 -1.63 116.25 116.46 1sij h VAL 149 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1sij h VAL 149 Cb 1.11 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 1sij h VAL 149 CO 0.11 0.00 0.25 0.24 0.02 0.00 0.00 177.57 178.19 1sij h MET 150 N -0.44 0.39 -0.48 1.57 2.07 -1.25 -0.06 114.93 116.73 1sij h MET 150 Ca -0.01 -0.02 -0.11 0.00 -2.07 0.00 0.00 59.70 57.49 1sij h MET 150 Cb 0.40 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 1sij h MET 150 CO -0.02 0.26 -0.12 0.22 1.07 0.00 0.00 176.91 178.31 1sij h ASP 151 N 0.40 0.94 -0.57 1.22 3.58 -1.27 -2.46 116.42 118.26 1sij h ASP 151 Ca 0.37 -0.36 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 1sij h ASP 151 Cb 0.54 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1sij h ASP 151 CO -0.38 1.09 0.07 0.00 -2.88 0.00 0.00 179.24 177.13 1sij h ALA 152 N 0.88 0.98 -0.46 -0.78 0.00 -0.82 -2.98 119.26 116.08 1sij h ALA 152 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sij h ALA 152 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1sij h ALA 152 CO 0.05 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.24 1sij h ALA 153 N 1.13 0.59 -0.96 0.00 0.00 -0.84 -0.78 119.26 118.40 1sij h ALA 153 Ca 0.18 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1sij h ALA 153 Cb 0.45 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1sij h ALA 153 CO 0.02 0.04 0.61 0.00 0.00 0.00 0.00 179.25 179.91 1sij h ALA 154 N 1.17 1.36 -0.05 0.00 0.00 -1.36 -0.87 119.26 119.50 1sij h ALA 154 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1sij h ALA 154 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1sij h ALA 154 CO -0.04 0.34 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 1sij h VAL 155 N 1.07 1.32 -0.00 0.00 2.07 -1.27 -0.70 116.25 118.75 1sij h VAL 155 Ca 0.43 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1sij h VAL 155 Cb 0.25 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1sij h VAL 155 CO -0.20 0.27 -0.15 0.40 0.02 0.00 0.00 177.57 177.92 1sij h ILE 156 N -0.28 1.11 0.00 4.57 2.04 -0.86 -2.19 117.51 121.90 1sij h ILE 156 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1sij h ILE 156 Cb 0.45 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1sij h ILE 156 CO 0.01 0.14 0.00 0.78 0.00 0.00 0.00 178.15 179.08 1sij h ASN 157 N 0.00 0.00 0.00 1.72 2.35 -1.10 -3.47 115.58 115.08 1sij h ASN 157 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sij h ASN 157 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1sij h ASN 157 CO 0.02 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 1sij n GLY 158 N 0.74 0.72 0.09 2.83 0.00 -0.82 -4.97 105.19 103.78 1sij n GLY 158 Ca 0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1sij n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sij n LYS 159 N -1.87 0.63 -3.96 1.61 5.02 -0.29 -4.94 118.16 114.37 1sij n LYS 159 Ca 0.00 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.39 1sij n LYS 159 Cb 0.17 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.30 1sij n LYS 159 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sij s LYS 160 N -2.77 0.22 0.49 1.97 -0.14 -1.13 -5.00 119.74 113.39 1sij s LYS 160 Ca -0.05 -0.38 -0.21 0.00 -1.36 0.00 0.00 55.97 53.97 1sij s LYS 160 Cb 0.08 0.01 -0.07 0.00 -1.68 0.00 0.00 37.83 36.17 1sij s LYS 160 CO 0.82 -0.01 1.13 -1.25 -0.76 0.00 0.00 175.35 175.27 1sij s PRO 161 N -0.87 3.62 0.40 -1.68 0.04 -1.26 -4.26 135.00 130.99 1sij s PRO 161 Ca -0.09 1.64 0.11 0.00 0.04 0.00 0.00 61.00 62.70 1sij s PRO 161 Cb -0.06 -2.20 0.84 0.00 0.04 0.00 0.00 34.50 33.12 1sij s PRO 161 CO -0.00 -0.64 1.94 1.49 0.04 0.00 0.00 177.00 179.83 1sij h GLU 162 N 1.65 0.18 0.00 4.56 4.81 -1.99 -2.14 114.58 121.66 1sij h GLU 162 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1sij h GLU 162 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1sij h GLU 162 CO 0.59 0.32 0.07 1.79 -0.73 0.00 0.00 179.01 181.05 1sij h THR 163 N 0.17 0.00 0.00 0.32 1.35 -1.96 0.66 112.91 113.45 1sij h THR 163 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1sij h THR 163 Cb 0.35 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1sij h THR 163 CO 0.02 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.76 1sij n ASP 164 N -2.79 0.00 -0.08 5.36 9.92 -0.80 -2.15 116.55 126.01 1sij n ASP 164 Ca -0.02 0.14 0.12 0.00 -0.53 0.00 0.00 54.79 54.49 1sij n ASP 164 Cb 0.12 -0.35 0.15 0.00 -0.64 0.00 0.00 41.12 40.40 1sij n ASP 164 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1sij n LEU 165 N -1.35 0.86 -4.79 0.64 4.77 0.22 -4.88 117.00 112.47 1sij n LEU 165 Ca 0.09 -0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.43 1sij n LEU 165 Cb 0.19 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1sij n LEU 165 CO 0.17 0.19 0.34 -1.61 -1.33 0.00 0.00 177.39 175.15 1sij s GLU 166 N -2.87 4.33 0.30 3.23 2.02 -0.91 -4.66 118.70 120.14 1sij s GLU 166 Ca 0.13 0.87 -0.29 0.00 0.02 0.00 0.00 54.97 55.69 1sij s GLU 166 Cb 0.17 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 31.03 1sij s GLU 166 CO 0.71 0.56 1.47 0.12 0.02 0.00 0.00 175.26 178.14 1sij s PHE 167 N -0.93 2.88 -0.17 1.61 5.36 -1.26 -5.01 117.98 120.45 1sij s PHE 167 Ca 0.32 1.05 -0.05 0.00 -0.96 0.00 0.00 56.93 57.29 1sij s PHE 167 Cb -0.20 -3.90 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 1sij s PHE 167 CO 0.21 -2.84 -0.01 0.15 -1.46 0.00 0.00 175.22 171.27 1sij s LYS 168 N -0.94 3.69 0.39 10.12 1.02 -1.26 -5.10 119.74 127.66 1sij s LYS 168 Ca 0.57 -0.50 -0.27 0.00 0.02 0.00 0.00 55.97 55.80 1sij s LYS 168 Cb -0.44 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 33.78 1sij s LYS 168 CO 0.50 0.18 1.34 -1.64 -0.92 0.00 0.00 175.35 174.80 1sij s MET 169 N 0.56 4.02 0.00 1.68 -1.94 -1.26 -4.90 119.30 117.46 1sij s MET 169 Ca -0.02 2.25 0.08 0.00 -1.71 0.00 0.00 55.69 56.30 1sij s MET 169 Cb -0.14 -2.83 0.48 0.00 2.01 0.00 0.00 34.83 34.35 1sij s MET 169 CO 0.02 -0.48 0.91 -2.30 -0.01 0.00 0.00 175.02 173.16 1sij n PRO 170 N 0.25 0.29 -2.59 2.03 -0.02 -1.26 -4.84 135.00 128.86 1sij n PRO 170 Ca 0.03 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.35 1sij n PRO 170 Cb 0.42 -1.43 0.01 0.00 -0.02 0.00 0.00 33.50 32.49 1sij n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sij n ALA 171 N -0.93 -0.59 -0.05 3.55 0.00 -1.26 -4.71 120.51 116.53 1sij n ALA 171 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1sij n ALA 171 Cb 0.03 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1sij n ALA 171 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sij n ASP 172 N -1.11 0.00 0.00 0.00 5.68 -1.26 -5.01 116.55 114.85 1sij n ASP 172 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1sij n ASP 172 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1sij n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sij n GLY 173 N 0.00 0.76 3.53 6.12 0.00 -1.26 -5.05 105.19 109.29 1sij n GLY 173 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sij n GLY 173 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sij s ARG 174 N -0.79 3.30 0.24 1.61 3.52 -1.26 -4.88 118.95 120.68 1sij s ARG 174 Ca 0.00 -0.25 0.22 0.00 -0.13 0.00 0.00 55.73 55.57 1sij s ARG 174 Cb 0.00 -4.11 0.05 0.00 -1.56 0.00 0.00 34.95 29.33 1sij s ARG 174 CO 0.00 -1.75 1.14 -0.84 -0.81 0.00 0.00 175.30 173.04 1sij h ILE 175 N 6.05 0.06 -2.61 4.11 3.07 -1.95 -3.42 117.51 122.81 1sij h ILE 175 Ca -0.27 -1.11 -0.52 0.00 1.55 0.00 0.00 64.86 64.51 1sij h ILE 175 Cb 1.06 1.66 0.05 0.00 -0.27 0.00 0.00 36.82 39.32 1sij h ILE 175 CO 1.17 0.04 1.05 0.86 -1.05 0.00 0.00 178.15 180.22 1sij s TRP 176 N -3.29 2.58 0.00 0.16 -0.11 -1.26 -1.44 118.94 115.58 1sij s TRP 176 Ca 0.01 0.19 0.00 0.00 1.22 0.00 0.00 56.10 57.52 1sij s TRP 176 Cb 0.09 -4.15 0.00 0.00 -1.50 0.00 0.00 33.47 27.91 1sij s TRP 176 CO 0.77 -4.53 0.00 0.41 -4.62 0.00 0.00 176.95 168.98 1sij n GLY 177 N 4.08 1.25 1.59 5.86 0.00 0.65 -4.99 105.19 113.63 1sij n GLY 177 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1sij n GLY 177 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sij n SER 178 N 0.00 0.61 -1.52 1.61 3.41 -0.52 -4.43 113.62 112.79 1sij n SER 178 Ca 0.00 -1.50 -0.03 0.00 -0.26 0.00 0.00 58.87 57.08 1sij n SER 178 Cb 0.00 -0.25 0.26 0.00 -0.26 0.00 0.00 64.21 63.96 1sij n SER 178 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sij n LYS 179 N -1.71 2.94 -1.66 4.33 5.02 -1.26 -0.47 118.16 125.35 1sij n LYS 179 Ca 0.07 -3.05 -0.49 0.00 -2.02 0.00 0.00 58.31 52.82 1sij n LYS 179 Cb 0.24 -2.02 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 1sij n LYS 179 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1sij n TYR 180 N -0.57 2.12 -1.75 2.13 9.36 -1.26 -4.81 117.16 122.38 1sij n TYR 180 Ca 0.35 0.30 -0.39 0.00 3.32 0.00 0.00 57.90 61.48 1sij n TYR 180 Cb 1.19 -2.52 0.04 0.00 -0.63 0.00 0.00 39.34 37.42 1sij n TYR 180 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1sij n PRO 181 N 4.21 1.83 -2.35 2.98 -0.02 -1.26 -4.89 135.00 135.51 1sij n PRO 181 Ca 0.19 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1sij n PRO 181 Cb 0.26 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1sij n PRO 181 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1sij s ARG 182 N -2.80 4.45 0.41 -0.52 1.70 -1.26 -4.95 118.95 115.99 1sij s ARG 182 Ca 0.69 1.92 0.18 0.00 -0.47 0.00 0.00 55.73 58.05 1sij s ARG 182 Cb -0.42 -3.05 1.09 0.00 -0.57 0.00 0.00 34.95 32.00 1sij s ARG 182 CO 0.51 0.00 1.83 -1.35 -1.08 0.00 0.00 175.30 175.21 1sij h PRO 183 N 3.45 0.39 0.00 3.89 0.11 -1.94 -1.56 132.00 136.34 1sij h PRO 183 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sij h PRO 183 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sij h PRO 183 CO 0.66 0.26 0.00 0.25 -0.21 0.00 0.00 178.00 178.95 1sij n THR 184 N -4.53 0.05 -0.06 -1.15 -2.24 -1.26 -4.28 114.28 100.80 1sij n THR 184 Ca 0.21 0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1sij n THR 184 Cb 0.76 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1sij n THR 184 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sij h ALA 185 N 3.41 0.19 -0.27 6.98 0.00 -1.62 -1.96 119.26 125.98 1sij h ALA 185 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1sij h ALA 185 Cb 0.24 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1sij h ALA 185 CO 0.00 -0.46 0.10 0.28 0.00 0.00 0.00 179.25 179.18 1sij h VAL 186 N 0.02 0.94 -0.74 0.00 2.07 -1.81 -1.57 116.25 115.16 1sij h VAL 186 Ca 0.12 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1sij h VAL 186 Cb 0.18 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1sij h VAL 186 CO -0.25 0.04 0.41 0.00 0.02 0.00 0.00 177.57 177.79 1sij h ALA 187 N 1.16 0.95 -0.42 1.67 0.00 -1.79 -2.37 119.26 118.46 1sij h ALA 187 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sij h ALA 187 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1sij h ALA 187 CO -0.11 0.47 0.21 0.87 0.00 0.00 0.00 179.25 180.69 1sij h LYS 188 N 1.03 0.60 0.00 0.00 1.57 -0.98 -1.01 116.57 117.78 1sij h LYS 188 Ca 0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1sij h LYS 188 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1sij h LYS 188 CO -0.04 0.51 0.00 1.33 -0.57 0.00 0.00 179.45 180.67 1sij n VAL 189 N -4.69 0.01 0.77 0.50 0.24 -0.62 -2.71 118.33 111.82 1sij n VAL 189 Ca 0.01 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.40 1sij n VAL 189 Cb 0.10 -0.50 0.07 0.00 -1.47 0.00 0.00 33.84 32.04 1sij n VAL 189 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sij n THR 190 N -1.49 0.00 -2.24 3.34 -2.24 -0.91 -4.77 114.28 105.99 1sij n THR 190 Ca 0.07 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 1sij n THR 190 Cb 0.33 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 1sij n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 191 N 1.04 -0.08 0.93 3.38 0.00 -0.88 -4.46 105.19 105.12 1sij n GLY 191 Ca 0.11 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1sij n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sij n THR 192 N -3.79 0.64 -3.36 2.61 -2.24 -0.44 -3.78 114.28 103.92 1sij n THR 192 Ca -0.22 -0.82 -0.38 0.00 -2.27 0.00 0.00 64.05 60.36 1sij n THR 192 Cb 0.66 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 1sij n THR 192 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sij s LEU 193 N -1.18 4.14 -0.44 3.22 2.96 -1.15 -4.97 118.68 121.26 1sij s LEU 193 Ca 0.32 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.54 1sij s LEU 193 Cb 0.18 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.35 1sij s LEU 193 CO 0.25 -0.11 0.66 -1.81 -1.32 0.00 0.00 176.35 174.02 1sij s ASP 194 N 1.12 6.33 0.84 3.68 1.01 -1.26 -4.98 116.67 123.41 1sij s ASP 194 Ca 0.20 -0.31 -0.11 0.00 0.71 0.00 0.00 52.55 53.04 1sij s ASP 194 Cb -0.15 -2.33 0.14 0.00 1.01 0.00 0.00 42.92 41.59 1sij s ASP 194 CO 0.08 -0.80 1.17 -0.31 0.21 0.00 0.00 175.17 175.53 1sij s TYR 195 N 2.88 2.08 0.21 4.23 2.02 -1.26 -4.41 117.35 123.10 1sij s TYR 195 Ca 0.24 0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 57.13 1sij s TYR 195 Cb -0.14 -3.62 0.29 0.00 -0.40 0.00 0.00 41.96 38.09 1sij s TYR 195 CO 0.19 -2.08 1.68 0.78 -1.57 0.00 0.00 175.55 174.56 1sij h GLY 196 N -1.13 0.71 1.32 0.71 0.00 -1.91 -0.46 103.07 102.31 1sij h GLY 196 Ca -0.43 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1sij h GLY 196 CO 0.47 -0.16 0.02 0.00 0.00 0.00 0.00 176.54 176.87 1sij h ALA 197 N 1.52 1.09 -0.46 3.60 0.00 -1.94 -2.25 119.26 120.81 1sij h ALA 197 Ca 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sij h ALA 197 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1sij h ALA 197 CO -0.46 0.58 0.16 -0.44 0.00 0.00 0.00 179.25 179.09 1sij h ASP 198 N 0.77 0.66 -0.69 0.00 3.45 -1.57 -2.82 116.42 116.22 1sij h ASP 198 Ca 0.15 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 1sij h ASP 198 Cb 0.44 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 1sij h ASP 198 CO 0.02 0.68 0.36 -0.07 -1.57 0.00 0.00 179.24 178.66 1sij h LEU 199 N 0.61 0.90 -1.28 1.55 3.38 -1.03 -2.61 115.31 116.82 1sij h LEU 199 Ca 0.15 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1sij h LEU 199 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1sij h LEU 199 CO -0.01 0.74 0.50 1.23 0.09 0.00 0.00 178.44 180.99 1sij h GLY 200 N 1.05 1.05 2.00 0.83 0.00 -1.17 -1.21 103.07 105.63 1sij h GLY 200 Ca 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1sij h GLY 200 CO -0.04 0.34 -0.05 1.41 0.00 0.00 0.00 176.54 178.21 1sij h LEU 201 N 0.95 0.00 -2.39 3.11 3.38 -1.25 -3.18 115.31 115.93 1sij h LEU 201 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1sij h LEU 201 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1sij h LEU 201 CO -0.08 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.79 1sij n LYS 202 N -3.14 2.33 -2.19 1.13 5.02 -0.55 -4.97 118.16 115.79 1sij n LYS 202 Ca 0.01 -2.12 -0.32 0.00 -2.02 0.00 0.00 58.31 53.87 1sij n LYS 202 Cb 0.38 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 1sij n LYS 202 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sij s MET 203 N -1.21 3.81 0.80 1.97 -1.94 -0.62 -5.05 119.30 117.06 1sij s MET 203 Ca 0.32 0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 55.07 1sij s MET 203 Cb 0.18 -2.11 0.07 0.00 2.01 0.00 0.00 34.83 34.98 1sij s MET 203 CO 0.25 -0.39 1.09 -1.25 -0.01 0.00 0.00 175.02 174.71 1sij s PRO 204 N -4.52 2.02 0.60 2.03 0.04 -1.26 -4.95 135.00 128.96 1sij s PRO 204 Ca 0.57 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1sij s PRO 204 Cb -0.10 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1sij s PRO 204 CO 0.40 -1.75 1.19 0.00 0.04 0.00 0.00 177.00 176.88 1sij s ALA 205 N -2.95 2.53 0.00 8.56 0.00 -1.26 -2.55 121.76 126.08 1sij s ALA 205 Ca 0.61 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1sij s ALA 205 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1sij s ALA 205 CO 0.56 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1sij n GLY 206 N 0.40 3.06 3.70 0.00 0.00 -1.26 -5.04 105.19 106.04 1sij n GLY 206 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1sij n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sij s THR 207 N -2.81 2.79 -0.02 2.61 2.01 -1.06 -4.54 115.64 114.63 1sij s THR 207 Ca 0.00 0.34 -0.18 0.00 0.31 0.00 0.00 61.69 62.16 1sij s THR 207 Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1sij s THR 207 CO 0.00 0.00 0.50 -0.76 -0.69 0.00 0.00 174.62 173.68 1sij s LEU 208 N 2.36 4.41 -0.17 4.42 1.43 0.11 -4.83 118.68 126.41 1sij s LEU 208 Ca 0.75 1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 1sij s LEU 208 Cb -0.42 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1sij s LEU 208 CO 0.33 0.17 0.14 -1.00 0.23 0.00 0.00 176.35 176.22 1sij s HIS 209 N -0.38 3.48 0.09 0.29 3.76 0.18 -0.50 115.29 122.22 1sij s HIS 209 Ca 0.27 0.42 0.02 0.00 -0.15 0.00 0.00 55.06 55.61 1sij s HIS 209 Cb -0.17 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 1sij s HIS 209 CO 0.14 0.46 0.19 -0.51 -0.85 0.00 0.00 174.74 174.17 1sij s LEU 210 N -0.17 4.17 0.02 0.89 1.43 0.11 -1.49 118.68 123.64 1sij s LEU 210 Ca 0.11 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1sij s LEU 210 Cb -0.11 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1sij s LEU 210 CO 0.00 0.14 -0.06 0.00 0.23 0.00 0.00 176.35 176.66 1sij s ALA 211 N -1.55 0.46 -0.04 4.21 0.00 -0.76 -4.56 121.76 119.52 1sij s ALA 211 Ca 0.33 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 1sij s ALA 211 Cb -0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1sij s ALA 211 CO 0.26 0.03 0.36 -1.64 0.00 0.00 0.00 175.76 174.77 1sij s MET 212 N -0.88 3.90 -0.33 0.00 1.00 -1.26 -1.22 119.30 120.51 1sij s MET 212 Ca -0.05 0.30 -0.13 0.00 0.00 0.00 0.00 55.69 55.80 1sij s MET 212 Cb -0.06 -3.25 -0.02 0.00 0.00 0.00 0.00 34.83 31.50 1sij s MET 212 CO 0.00 0.63 0.28 0.08 0.00 0.00 0.00 175.02 176.01 1sij s VAL 213 N -0.82 5.25 0.07 -6.03 1.01 0.41 -4.93 120.40 115.35 1sij s VAL 213 Ca 0.22 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1sij s VAL 213 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1sij s VAL 213 CO 0.11 -0.00 -0.25 -1.10 0.00 0.00 0.00 175.10 173.86 1sij s GLN 214 N 1.84 1.76 0.29 2.72 -0.21 -1.26 -0.49 119.66 124.31 1sij s GLN 214 Ca 0.08 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 54.02 1sij s GLN 214 Cb -0.17 -2.01 -0.12 0.00 1.00 0.00 0.00 33.01 31.71 1sij s GLN 214 CO 0.11 0.50 1.51 0.00 -2.12 0.00 0.00 175.29 175.29 1sij n ALA 215 N 1.48 2.07 -0.48 6.09 0.00 -0.39 -4.84 120.51 124.43 1sij n ALA 215 Ca -0.17 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1sij n ALA 215 Cb 0.52 -2.39 0.22 0.00 0.00 0.00 0.00 19.45 17.80 1sij n ALA 215 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sij n LYS 216 N 1.79 3.02 -4.37 0.00 4.76 -1.26 -1.41 118.16 120.68 1sij n LYS 216 Ca 0.08 -2.42 -0.19 0.00 -2.87 0.00 0.00 58.31 52.91 1sij n LYS 216 Cb 0.36 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1sij n LYS 216 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1sij s VAL 217 N -1.63 1.19 -0.22 -0.18 -7.23 -1.26 -5.02 120.40 106.06 1sij s VAL 217 Ca 0.34 -2.05 0.19 0.00 -1.81 0.00 0.00 61.98 58.65 1sij s VAL 217 Cb 0.22 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1sij s VAL 217 CO 0.16 -0.26 1.13 0.28 -0.31 0.00 0.00 175.10 176.10 1sij h SER 218 N 2.37 0.00 -2.64 4.85 0.02 -1.91 -3.14 113.55 113.11 1sij h SER 218 Ca -0.39 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1sij h SER 218 Cb 1.23 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.55 1sij h SER 218 CO 0.66 0.27 -0.10 -2.28 -1.14 0.00 0.00 176.83 174.24 1sij s HIS 219 N -3.13 -1.10 0.04 3.45 2.46 -1.26 -2.47 115.29 113.28 1sij s HIS 219 Ca 0.01 2.07 -0.27 0.00 0.47 0.00 0.00 55.06 57.34 1sij s HIS 219 Cb 0.08 0.63 0.08 0.00 -0.13 0.00 0.00 32.58 33.24 1sij s HIS 219 CO 0.77 -0.56 0.68 0.00 -2.47 0.00 0.00 174.74 173.17 1sij s ALA 220 N 2.13 -1.71 -0.17 1.58 0.00 -0.82 -1.12 121.76 121.66 1sij s ALA 220 Ca -0.08 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 1sij s ALA 220 Cb -0.08 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1sij s ALA 220 CO -0.18 -0.58 0.32 -0.80 0.00 0.00 0.00 175.76 174.52 1sij s ASN 221 N -2.01 6.44 -0.02 0.00 0.01 -0.14 -0.45 114.94 118.77 1sij s ASN 221 Ca -0.03 0.51 -0.23 0.00 -0.71 0.00 0.00 52.86 52.40 1sij s ASN 221 Cb -0.01 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 1sij s ASN 221 CO -0.03 0.06 0.68 -0.63 -1.51 0.00 0.00 177.10 175.67 1sij s ILE 222 N 0.65 4.93 -0.26 0.60 1.01 0.20 -1.19 121.20 127.14 1sij s ILE 222 Ca 0.17 1.41 0.03 0.00 0.00 0.00 0.00 60.65 62.26 1sij s ILE 222 Cb -0.13 -4.02 -0.17 0.00 0.01 0.00 0.00 42.46 38.14 1sij s ILE 222 CO 0.05 0.34 -0.21 0.29 0.00 0.00 0.00 174.94 175.40 1sij n LYS 223 N 3.19 0.65 -3.62 2.79 4.76 0.05 -4.83 118.16 121.15 1sij n LYS 223 Ca -0.04 0.14 -0.01 0.00 -2.87 0.00 0.00 58.31 55.53 1sij n LYS 223 Cb 0.51 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 1sij n LYS 223 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1sij s GLY 224 N -6.46 -0.27 -0.10 0.72 0.00 -1.22 -5.01 107.32 94.98 1sij s GLY 224 Ca -0.34 1.67 0.03 0.00 0.00 0.00 0.00 44.72 46.09 1sij s GLY 224 CO 0.61 0.53 -0.21 -0.42 0.00 0.00 0.00 173.10 173.61 1sij s ILE 225 N -2.10 2.33 -0.36 0.90 1.01 -1.26 -0.92 121.20 120.81 1sij s ILE 225 Ca 0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1sij s ILE 225 Cb 0.01 -1.91 0.07 0.00 0.01 0.00 0.00 42.46 40.64 1sij s ILE 225 CO -0.03 0.55 0.12 -0.62 0.00 0.00 0.00 174.94 174.96 1sij s ASP 226 N 0.24 5.20 0.00 3.58 3.68 0.17 -4.96 116.67 124.58 1sij s ASP 226 Ca -0.14 -1.49 0.23 0.00 2.13 0.00 0.00 52.55 53.28 1sij s ASP 226 Cb -0.17 -1.82 0.42 0.00 -1.45 0.00 0.00 42.92 39.90 1sij s ASP 226 CO 0.07 -0.39 1.39 0.35 0.13 0.00 0.00 175.17 176.72 1sij n THR 227 N 4.70 0.31 0.01 1.71 -2.24 -1.26 -1.39 114.28 116.12 1sij n THR 227 Ca -0.09 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 60.97 1sij n THR 227 Cb 0.43 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1sij n THR 227 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sij h SER 228 N 4.25 -0.29 -0.65 3.42 4.64 -1.93 -2.46 113.55 120.53 1sij h SER 228 Ca 0.00 0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1sij h SER 228 Cb 0.92 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1sij h SER 228 CO 0.00 -0.13 0.15 -0.08 -0.87 0.00 0.00 176.83 175.90 1sij h GLU 229 N -0.12 1.06 -0.88 4.77 4.81 -1.85 -3.13 114.58 119.25 1sij h GLU 229 Ca 0.07 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1sij h GLU 229 Cb 0.22 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1sij h GLU 229 CO -0.16 0.95 0.53 0.00 -0.73 0.00 0.00 179.01 179.60 1sij h ALA 230 N 1.14 1.29 0.00 2.92 0.00 -1.70 -2.86 119.26 120.06 1sij h ALA 230 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sij h ALA 230 Cb 0.38 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sij h ALA 230 CO 0.00 0.61 -0.05 -0.07 0.00 0.00 0.00 179.25 179.75 1sij h LEU 231 N 1.20 0.00 0.00 0.00 3.38 -1.39 -2.45 115.31 116.05 1sij h LEU 231 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1sij h LEU 231 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sij h LEU 231 CO -0.06 0.05 -0.55 0.35 0.09 0.00 0.00 178.44 178.33 1sij n THR 232 N -3.24 0.15 -2.27 0.22 -2.24 -1.08 -4.85 114.28 100.96 1sij n THR 232 Ca -0.01 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1sij n THR 232 Cb 0.26 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1sij n THR 232 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1sij s MET 233 N -3.08 3.59 0.24 -0.78 -1.94 -0.92 -4.96 119.30 111.45 1sij s MET 233 Ca 0.09 1.21 -0.31 0.00 -1.71 0.00 0.00 55.69 54.98 1sij s MET 233 Cb 0.16 -2.07 -0.14 0.00 2.01 0.00 0.00 34.83 34.79 1sij s MET 233 CO 0.70 -0.59 1.27 -2.30 -0.01 0.00 0.00 175.02 174.09 1sij n PRO 234 N -1.59 1.72 -0.55 2.03 -0.02 -1.26 -2.80 135.00 132.53 1sij n PRO 234 Ca 0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1sij n PRO 234 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1sij n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sij n GLY 235 N 1.82 1.22 3.69 -1.23 0.00 -1.26 -4.80 105.19 104.64 1sij n GLY 235 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1sij n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sij s VAL 236 N -2.87 4.54 -0.21 1.61 1.01 -1.12 -0.73 120.40 122.63 1sij s VAL 236 Ca 0.00 1.83 -0.21 0.00 0.00 0.00 0.00 61.98 63.59 1sij s VAL 236 Cb 0.00 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 1sij s VAL 236 CO 0.00 0.04 0.20 -0.74 0.00 0.00 0.00 175.10 174.60 1sij h HIS 237 N 7.14 0.00 -1.73 5.22 2.76 -0.89 -3.48 115.15 124.16 1sij h HIS 237 Ca -0.35 0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.09 1sij h HIS 237 Cb 1.17 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.01 1sij h HIS 237 CO 0.71 1.43 0.72 -1.54 -1.30 0.00 0.00 177.93 177.95 1sij s SER 238 N -6.80 -0.11 -0.11 3.26 1.04 -1.14 -5.03 113.70 104.81 1sij s SER 238 Ca -0.28 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.00 1sij s SER 238 Cb 0.06 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1sij s SER 238 CO 0.58 -0.47 -0.23 -0.69 0.98 0.00 0.00 173.24 173.41 1sij s VAL 239 N -2.69 2.04 -0.16 5.02 1.01 -1.26 -0.81 120.40 123.55 1sij s VAL 239 Ca 0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1sij s VAL 239 Cb 0.02 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1sij s VAL 239 CO -0.03 0.55 0.09 -0.63 0.00 0.00 0.00 175.10 175.09 1sij s ILE 240 N 0.50 5.09 0.20 2.22 1.01 0.68 -4.94 121.20 125.97 1sij s ILE 240 Ca -0.15 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1sij s ILE 240 Cb -0.17 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1sij s ILE 240 CO 0.05 0.50 0.08 0.35 0.00 0.00 0.00 174.94 175.93 1sij n THR 241 N 3.05 0.00 -0.10 2.92 -2.24 -1.26 -0.74 114.28 115.90 1sij n THR 241 Ca -0.17 -1.23 0.20 0.00 -2.27 0.00 0.00 64.05 60.58 1sij n THR 241 Cb 0.53 0.46 0.63 0.00 -2.10 0.00 0.00 70.33 69.85 1sij n THR 241 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1sij h HIS 242 N 1.37 0.19 -0.09 4.78 2.07 -1.80 -0.08 115.15 121.58 1sij h HIS 242 Ca -0.16 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.40 1sij h HIS 242 Cb 0.62 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.54 1sij h HIS 242 CO 0.00 0.07 0.11 0.87 -3.07 0.00 0.00 177.93 175.91 1sij h LYS 243 N 0.16 0.00 -0.01 5.12 1.57 -1.95 -1.55 116.57 119.91 1sij h LYS 243 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1sij h LYS 243 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1sij h LYS 243 CO -0.05 0.00 -0.21 -0.25 -0.57 0.00 0.00 179.45 178.36 1sij n ASP 244 N -3.79 0.79 -4.71 0.86 8.00 -0.04 -4.87 116.55 112.79 1sij n ASP 244 Ca -0.01 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 1sij n ASP 244 Cb 0.21 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1sij n ASP 244 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sij s VAL 245 N -2.53 4.74 -0.68 2.53 1.01 -0.59 -4.77 120.40 120.12 1sij s VAL 245 Ca 0.25 1.98 0.24 0.00 0.00 0.00 0.00 61.98 64.45 1sij s VAL 245 Cb 0.19 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1sij s VAL 245 CO 0.51 0.13 1.37 0.29 0.00 0.00 0.00 175.10 177.40 1sij n LYS 246 N 4.09 0.26 0.00 2.72 4.01 -1.25 -4.90 118.16 123.09 1sij n LYS 246 Ca 0.07 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1sij n LYS 246 Cb 0.50 -1.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1sij n LYS 246 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sij n GLY 247 N 1.35 5.01 0.13 0.72 0.00 -1.18 -4.57 105.19 106.64 1sij n GLY 247 Ca 0.04 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1sij n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sij n LYS 248 N 0.00 0.14 -3.38 1.61 5.02 -0.39 -4.85 118.16 116.31 1sij n LYS 248 Ca 0.00 0.52 -0.25 0.00 -2.02 0.00 0.00 58.31 56.56 1sij n LYS 248 Cb 0.00 -1.86 0.03 0.00 -0.02 0.00 0.00 35.03 33.18 1sij n LYS 248 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1sij n ASN 249 N -2.15 -5.34 -3.84 4.39 5.15 -0.62 -4.98 115.26 107.88 1sij n ASN 249 Ca 0.00 -0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 53.41 1sij n ASN 249 Cb 0.12 -4.30 -0.14 0.00 -0.53 0.00 0.00 39.78 34.93 1sij n ASN 249 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1sij s ARG 250 N -6.07 0.04 -0.04 1.20 1.81 -1.26 -2.32 118.95 112.32 1sij s ARG 250 Ca 0.45 0.09 -0.16 0.00 -1.72 0.00 0.00 55.73 54.39 1sij s ARG 250 Cb -0.21 -0.01 -0.05 0.00 -0.45 0.00 0.00 34.95 34.22 1sij s ARG 250 CO 0.55 -0.03 0.43 0.42 -0.68 0.00 0.00 175.30 175.99 1sij s ILE 251 N 0.19 5.07 -0.14 1.52 1.01 0.18 -3.66 121.20 125.37 1sij s ILE 251 Ca -0.01 0.88 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 1sij s ILE 251 Cb -0.02 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1sij s ILE 251 CO -0.01 0.49 0.11 0.28 0.00 0.00 0.00 174.94 175.82 1sij s THR 252 N -0.50 5.27 -0.69 2.92 -1.32 -1.02 -4.04 115.64 116.28 1sij s THR 252 Ca 0.24 0.13 0.18 0.00 -1.21 0.00 0.00 61.69 61.02 1sij s THR 252 Cb -0.16 -3.32 0.17 0.00 -1.51 0.00 0.00 72.50 67.68 1sij s THR 252 CO 0.12 0.57 1.54 0.61 -2.21 0.00 0.00 174.62 175.25 1sij n GLY 253 N 2.43 -1.05 4.81 6.08 0.00 -0.05 -4.64 105.19 112.78 1sij n GLY 253 Ca -0.19 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1sij n GLY 253 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sij n LEU 254 N -1.90 0.00 -1.27 0.99 7.94 -1.26 -4.04 117.00 117.47 1sij n LEU 254 Ca 0.02 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.84 1sij n LEU 254 Cb 0.16 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.23 1sij n LEU 254 CO 0.14 0.00 0.28 2.30 -1.11 0.00 0.00 177.39 179.00 1sij n ILE 255 N 0.00 2.36 -1.64 1.96 -5.35 -1.26 -5.06 119.36 110.38 1sij n ILE 255 Ca 0.00 -3.70 -0.49 0.00 -0.27 0.00 0.00 62.75 58.29 1sij n ILE 255 Cb 0.00 -0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 37.19 1sij n ILE 255 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1sij n THR 256 N -0.93 0.03 -2.15 7.28 -1.04 -1.26 -4.93 114.28 111.28 1sij n THR 256 Ca 0.31 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.93 1sij n THR 256 Cb 0.82 -1.22 -0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1sij n THR 256 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1sij s PHE 257 N 0.90 2.84 0.26 -1.42 2.99 -1.26 -4.96 117.98 117.34 1sij s PHE 257 Ca 0.82 1.48 -0.01 0.00 0.00 0.00 0.00 56.93 59.22 1sij s PHE 257 Cb -0.81 -3.52 0.47 0.00 0.00 0.00 0.00 43.02 39.16 1sij s PHE 257 CO 0.43 -1.80 1.83 -1.35 -0.00 0.00 0.00 175.22 174.33 1sij h PRO 258 N 2.35 0.90 0.00 0.24 0.11 -1.97 -2.14 132.00 131.48 1sij h PRO 258 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1sij h PRO 258 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sij h PRO 258 CO 0.61 0.59 0.00 0.25 -0.21 0.00 0.00 178.00 179.25 1sij n THR 259 N -4.66 0.04 -1.83 -1.15 -2.24 -1.26 -4.75 114.28 98.43 1sij n THR 259 Ca 0.16 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 1sij n THR 259 Cb 0.31 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1sij n THR 259 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sij s ASN 260 N -2.30 6.48 0.00 3.42 3.84 -0.81 -4.75 114.94 120.82 1sij s ASN 260 Ca 0.35 2.76 0.29 0.00 0.21 0.00 0.00 52.86 56.48 1sij s ASN 260 Cb 0.20 -2.60 1.29 0.00 -0.55 0.00 0.00 41.25 39.59 1sij s ASN 260 CO 0.39 -0.90 1.93 0.29 -2.79 0.00 0.00 177.10 176.03 1sij n LYS 261 N 3.77 0.24 -4.07 0.43 5.02 0.12 -4.80 118.16 118.86 1sij n LYS 261 Ca 0.14 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.13 1sij n LYS 261 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1sij n LYS 261 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sij s GLY 262 N -2.78 1.81 0.00 0.72 0.00 -1.26 -4.84 107.32 100.97 1sij s GLY 262 Ca 0.21 -1.15 0.28 0.00 0.00 0.00 0.00 44.72 44.07 1sij s GLY 262 CO 0.51 -1.15 1.81 2.09 0.00 0.00 0.00 173.10 176.36 1sij n ASP 263 N -0.09 0.18 0.00 1.64 5.68 -1.26 -4.93 116.55 117.76 1sij n ASP 263 Ca -0.08 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1sij n ASP 263 Cb 0.54 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1sij n ASP 263 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sij n GLY 264 N 1.46 0.59 1.70 6.12 0.00 -1.26 -4.88 105.19 108.92 1sij n GLY 264 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1sij n GLY 264 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sij n TRP 265 N -2.82 2.02 0.22 1.61 7.02 -1.26 -0.87 117.44 123.36 1sij n TRP 265 Ca 0.00 -1.18 0.09 0.00 -1.02 0.00 0.00 57.50 55.39 1sij n TRP 265 Cb 0.00 -0.60 0.47 0.00 -2.42 0.00 0.00 31.31 28.77 1sij n TRP 265 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 1sij h ASP 266 N 2.37 0.00 -3.39 -0.99 3.04 -1.90 -3.44 116.42 112.11 1sij h ASP 266 Ca 0.21 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.39 1sij h ASP 266 Cb 2.09 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 40.28 1sij h ASP 266 CO 0.60 0.25 0.29 -0.60 -2.04 0.00 0.00 179.24 177.75 1sij s ARG 267 N -3.76 4.15 0.64 4.15 3.52 -1.26 -4.99 118.95 121.40 1sij s ARG 267 Ca -0.00 0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 56.20 1sij s ARG 267 Cb 0.11 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1sij s ARG 267 CO 0.64 -0.45 1.05 -1.25 -0.81 0.00 0.00 175.30 174.48 1sij s PRO 268 N 2.62 3.23 -0.14 5.12 0.04 -1.26 0.49 135.00 145.10 1sij s PRO 268 Ca 0.30 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1sij s PRO 268 Cb -0.15 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1sij s PRO 268 CO 0.08 -0.86 0.17 0.82 0.04 0.00 0.00 177.00 177.24 1sij h ILE 269 N -0.23 0.56 -3.32 0.56 2.04 -1.79 -3.42 117.51 111.90 1sij h ILE 269 Ca -0.45 -1.49 -0.66 0.00 1.00 0.00 0.00 64.86 63.26 1sij h ILE 269 Cb 1.21 1.13 -0.29 0.00 -0.74 0.00 0.00 36.82 38.13 1sij h ILE 269 CO 0.58 0.19 -0.80 -0.76 0.00 0.00 0.00 178.15 177.37 1sij s LEU 270 N -8.29 2.55 0.19 1.44 1.43 -1.26 -4.83 118.68 109.91 1sij s LEU 270 Ca -0.12 -0.40 -0.33 0.00 -1.03 0.00 0.00 54.13 52.25 1sij s LEU 270 Cb 0.01 -1.56 -0.14 0.00 0.03 0.00 0.00 46.19 44.53 1sij s LEU 270 CO 0.30 0.16 1.45 0.00 0.23 0.00 0.00 176.35 178.49 1sij n ASP 272 N 2.66 0.00 0.02 0.00 4.64 -1.26 -4.57 116.55 118.04 1sij n ASP 272 Ca 0.14 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.42 1sij n ASP 272 Cb 0.29 -0.04 -0.14 0.00 -1.04 0.00 0.00 41.12 40.19 1sij n ASP 272 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1sij h GLU 273 N 0.00 0.12 -4.81 -0.67 4.39 -1.91 -3.42 114.58 108.28 1sij h GLU 273 Ca 0.00 -0.21 -0.31 0.00 0.34 0.00 0.00 59.36 59.18 1sij h GLU 273 Cb 0.00 0.08 -0.20 0.00 -0.10 0.00 0.00 28.75 28.52 1sij h GLU 273 CO 0.00 0.88 -0.74 0.15 -1.16 0.00 0.00 179.01 178.14 1sij s LYS 274 N -2.62 0.66 -0.22 2.33 1.02 -1.26 0.58 119.74 120.23 1sij s LYS 274 Ca -0.08 -0.90 -0.10 0.00 0.02 0.00 0.00 55.97 54.91 1sij s LYS 274 Cb 0.08 -0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 1sij s LYS 274 CO 0.83 0.08 0.15 0.08 -0.92 0.00 0.00 175.35 175.57 1sij s VAL 275 N -1.65 5.38 -0.06 3.17 1.01 0.41 -4.81 120.40 123.86 1sij s VAL 275 Ca -0.05 0.20 0.12 0.00 0.00 0.00 0.00 61.98 62.26 1sij s VAL 275 Cb -0.08 -3.49 -0.18 0.00 0.00 0.00 0.00 36.38 32.63 1sij s VAL 275 CO 0.00 0.39 0.19 0.49 0.00 0.00 0.00 175.10 176.17 1sij n PHE 276 N 3.90 0.00 -3.71 5.22 3.01 -1.26 -1.94 117.46 122.68 1sij n PHE 276 Ca -0.15 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.18 1sij n PHE 276 Cb 0.52 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 1sij n PHE 276 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1sij s GLN 277 N -2.66 0.84 0.17 -1.08 -2.07 -1.03 -4.33 119.66 109.50 1sij s GLN 277 Ca -0.05 -0.39 -0.34 0.00 -1.82 0.00 0.00 55.36 52.76 1sij s GLN 277 Cb 0.06 0.37 -0.14 0.00 -1.09 0.00 0.00 33.01 32.21 1sij s GLN 277 CO 0.52 -0.27 1.49 0.98 -1.32 0.00 0.00 175.29 176.69 1sij n TYR 278 N 0.65 2.11 0.00 9.60 4.19 -1.19 -2.41 117.16 130.12 1sij n TYR 278 Ca -0.19 0.37 0.00 0.00 3.31 0.00 0.00 57.90 61.39 1sij n TYR 278 Cb 0.59 -2.49 0.00 0.00 0.49 0.00 0.00 39.34 37.93 1sij n TYR 278 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1sij n GLY 279 N 2.97 1.65 3.53 2.98 0.00 -0.50 -4.81 105.19 111.01 1sij n GLY 279 Ca 0.16 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.63 1sij n GLY 279 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sij n ASP 280 N 0.00 0.64 -4.67 1.61 8.00 -1.01 -4.37 116.55 116.75 1sij n ASP 280 Ca 0.00 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.22 1sij n ASP 280 Cb 0.00 -1.04 -0.02 0.00 -0.02 0.00 0.00 41.12 40.04 1sij n ASP 280 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sij n ILE 282 N 5.04 0.98 -3.59 0.00 5.41 0.36 -1.58 119.36 125.99 1sij n ILE 282 Ca 0.12 -0.60 -0.12 0.00 1.00 0.00 0.00 62.75 63.16 1sij n ILE 282 Cb 0.46 -0.63 -0.04 0.00 -0.71 0.00 0.00 39.64 38.71 1sij n ILE 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sij s ALA 283 N -2.35 -1.15 -0.16 -1.39 0.00 -1.15 -4.45 121.76 111.12 1sij s ALA 283 Ca -0.08 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1sij s ALA 283 Cb 0.04 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1sij s ALA 283 CO 0.58 -0.62 -0.18 -0.51 0.00 0.00 0.00 175.76 175.04 1sij s LEU 284 N -2.53 1.93 -0.08 0.00 1.43 0.08 -0.44 118.68 119.06 1sij s LEU 284 Ca -0.00 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.31 1sij s LEU 284 Cb 0.01 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1sij s LEU 284 CO -0.09 -0.01 0.67 -0.69 0.23 0.00 0.00 176.35 176.47 1sij s VAL 285 N 1.25 5.06 -0.21 -1.59 1.01 -0.35 -0.23 120.40 125.34 1sij s VAL 285 Ca 0.02 1.38 -0.07 0.00 0.00 0.00 0.00 61.98 63.31 1sij s VAL 285 Cb -0.14 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1sij s VAL 285 CO -0.09 0.25 0.06 0.00 0.00 0.00 0.00 175.10 175.31 1sij s ALA 287 N 0.93 1.57 -0.16 0.00 0.00 -0.56 -0.15 121.76 123.38 1sij s ALA 287 Ca 0.04 -1.92 0.29 0.00 0.00 0.00 0.00 51.96 50.37 1sij s ALA 287 Cb -0.14 1.42 1.00 0.00 0.00 0.00 0.00 23.12 25.39 1sij s ALA 287 CO 0.03 -0.67 1.84 0.38 0.00 0.00 0.00 175.76 177.33 1sij h ASP 288 N 2.22 0.00 -5.10 0.00 2.03 -1.22 0.53 116.42 114.88 1sij h ASP 288 Ca -0.27 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.93 1sij h ASP 288 Cb 1.24 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.58 1sij h ASP 288 CO 0.40 0.00 -0.36 -0.94 -1.03 0.00 0.00 179.24 177.31 1sij s SER 289 N -5.64 0.04 0.15 4.15 1.04 -1.26 -4.67 113.70 107.51 1sij s SER 289 Ca 0.04 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 1sij s SER 289 Cb 0.08 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1sij s SER 289 CO 0.57 -0.63 1.67 -0.08 0.98 0.00 0.00 173.24 175.75 1sij h GLU 290 N 3.16 -0.05 -0.65 4.02 4.81 -1.88 -0.51 114.58 123.48 1sij h GLU 290 Ca -0.33 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1sij h GLU 290 Cb 1.20 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1sij h GLU 290 CO 0.51 -0.03 0.38 0.00 -0.73 0.00 0.00 179.01 179.13 1sij h ALA 291 N 1.24 0.85 -0.27 2.92 0.00 -1.97 0.19 119.26 122.23 1sij h ALA 291 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1sij h ALA 291 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sij h ALA 291 CO -0.36 0.09 -0.35 -0.91 0.00 0.00 0.00 179.25 177.72 1sij h ASN 292 N 0.72 0.61 -0.14 0.00 2.35 -1.83 -2.12 115.58 115.18 1sij h ASN 292 Ca 0.28 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1sij h ASN 292 Cb 0.10 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1sij h ASN 292 CO -0.14 0.91 -0.00 0.00 -1.65 0.00 0.00 177.43 176.54 1sij h ALA 293 N 1.13 0.18 -0.66 -0.83 0.00 -0.60 -2.45 119.26 116.03 1sij h ALA 293 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1sij h ALA 293 Cb 0.83 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1sij h ALA 293 CO 0.07 -0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.63 1sij h ARG 294 N -0.02 0.83 -0.13 0.00 3.08 -0.97 -0.07 114.38 117.10 1sij h ARG 294 Ca 0.04 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1sij h ARG 294 Cb 0.37 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1sij h ARG 294 CO 0.01 0.55 -0.09 0.00 -1.07 0.00 0.00 179.97 179.36 1sij h ALA 295 N 1.26 0.01 -0.12 0.04 0.00 -1.33 -2.66 119.26 116.46 1sij h ALA 295 Ca 0.25 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1sij h ALA 295 Cb -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sij h ALA 295 CO -0.08 -0.54 -0.39 0.00 0.00 0.00 0.00 179.25 178.24 1sij h ALA 296 N 1.01 1.11 -0.15 0.00 0.00 -1.19 -2.88 119.26 117.16 1sij h ALA 296 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1sij h ALA 296 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sij h ALA 296 CO -0.19 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.65 1sij h ALA 297 N 1.37 1.75 0.00 0.00 0.00 -0.72 -0.57 119.26 121.09 1sij h ALA 297 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sij h ALA 297 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1sij h ALA 297 CO 0.06 0.20 -0.04 0.93 0.00 0.00 0.00 179.25 180.40 1sij h GLU 298 N 0.21 0.00 -0.00 0.00 4.39 -1.25 -3.11 114.58 114.82 1sij h GLU 298 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1sij h GLU 298 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1sij h GLU 298 CO 0.00 0.04 -0.76 1.63 -1.16 0.00 0.00 179.01 178.76 1sij n LYS 299 N -3.33 1.07 -1.95 2.33 4.76 -0.23 -4.90 118.16 115.90 1sij n LYS 299 Ca -0.02 -0.21 -0.42 0.00 -2.87 0.00 0.00 58.31 54.79 1sij n LYS 299 Cb 0.18 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1sij n LYS 299 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1sij s VAL 300 N -2.60 2.88 -0.19 -0.18 1.01 -1.14 -4.54 120.40 115.63 1sij s VAL 300 Ca 0.09 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 1sij s VAL 300 Cb 0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1sij s VAL 300 CO 0.69 0.02 0.04 -0.54 0.00 0.00 0.00 175.10 175.31 1sij s LYS 301 N 1.86 3.82 -0.15 2.72 1.02 -0.48 -4.96 119.74 123.57 1sij s LYS 301 Ca 0.71 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 56.25 1sij s LYS 301 Cb -0.41 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 1sij s LYS 301 CO 0.32 0.14 -0.05 0.08 -0.92 0.00 0.00 175.35 174.91 1sij s VAL 302 N 0.71 3.74 -0.42 3.17 1.01 -1.26 0.43 120.40 127.78 1sij s VAL 302 Ca 0.02 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1sij s VAL 302 Cb -0.14 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1sij s VAL 302 CO 0.02 0.49 0.45 -0.62 0.00 0.00 0.00 175.10 175.44 1sij s ASP 303 N 0.40 6.21 -0.01 3.32 2.15 -0.09 -5.02 116.67 123.63 1sij s ASP 303 Ca -0.05 -0.61 0.06 0.00 0.43 0.00 0.00 52.55 52.38 1sij s ASP 303 Cb -0.14 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1sij s ASP 303 CO 0.03 -0.58 -0.20 -0.76 -0.17 0.00 0.00 175.17 173.49 1sij s LEU 304 N 2.18 2.42 -0.54 -1.34 1.43 -1.26 -0.77 118.68 120.80 1sij s LEU 304 Ca 0.13 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1sij s LEU 304 Cb -0.17 -1.45 0.14 0.00 0.03 0.00 0.00 46.19 44.74 1sij s LEU 304 CO 0.14 0.31 0.43 -0.70 0.23 0.00 0.00 176.35 176.76 1sij s GLU 305 N -0.88 2.69 0.10 1.70 2.12 -0.33 -4.97 118.70 119.14 1sij s GLU 305 Ca 0.12 -1.92 -0.31 0.00 0.36 0.00 0.00 54.97 53.22 1sij s GLU 305 Cb -0.10 -4.02 -0.08 0.00 0.26 0.00 0.00 34.13 30.18 1sij s GLU 305 CO 0.01 -1.23 1.47 -2.00 -0.54 0.00 0.00 175.26 172.97 1sij s GLU 306 N 1.11 4.27 0.25 4.30 2.12 -1.26 -0.97 118.70 128.53 1sij s GLU 306 Ca 0.08 2.16 0.07 0.00 0.36 0.00 0.00 54.97 57.64 1sij s GLU 306 Cb -0.24 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1sij s GLU 306 CO -0.01 -0.54 0.20 -0.51 -0.54 0.00 0.00 175.26 173.86 1sij s LEU 307 N 1.51 3.84 0.36 2.70 1.43 -0.27 -4.93 118.68 123.31 1sij s LEU 307 Ca 0.67 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.26 1sij s LEU 307 Cb -0.38 -2.37 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 1sij s LEU 307 CO 0.30 -0.03 1.47 -2.84 0.23 0.00 0.00 176.35 175.48 1sij s PRO 308 N -3.81 4.15 -0.08 1.29 0.02 -1.26 -4.54 135.00 130.77 1sij s PRO 308 Ca 0.33 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1sij s PRO 308 Cb -0.08 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 1sij s PRO 308 CO 0.25 -0.49 -0.07 0.00 -0.33 0.00 0.00 177.00 176.36 1sij s ALA 309 N -1.00 2.96 -0.38 -1.55 0.00 -1.26 -4.91 121.76 115.62 1sij s ALA 309 Ca 0.53 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1sij s ALA 309 Cb -0.45 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1sij s ALA 309 CO 0.60 0.51 0.43 0.71 0.00 0.00 0.00 175.76 178.00 1sij s TYR 310 N -0.60 3.19 -1.49 0.00 1.51 -1.26 -4.96 117.35 113.74 1sij s TYR 310 Ca 0.09 -0.12 0.19 0.00 -1.01 0.00 0.00 57.07 56.22 1sij s TYR 310 Cb -0.12 -2.82 0.58 0.00 -0.11 0.00 0.00 41.96 39.49 1sij s TYR 310 CO 0.02 -0.56 1.49 -1.33 -1.11 0.00 0.00 175.55 174.05 1sij n MET 311 N 5.55 2.97 -3.68 -0.62 2.81 -1.26 -0.48 117.12 122.41 1sij n MET 311 Ca -0.07 -2.57 -0.10 0.00 -1.81 0.00 0.00 57.70 53.14 1sij n MET 311 Cb 0.48 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.38 1sij n MET 311 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1sij s SER 312 N -1.02 -0.26 0.10 7.83 1.04 -1.26 -4.77 113.70 115.35 1sij s SER 312 Ca 0.43 -0.40 -0.34 0.00 0.48 0.00 0.00 55.95 56.12 1sij s SER 312 Cb 0.24 0.54 -0.15 0.00 0.10 0.00 0.00 66.02 66.75 1sij s SER 312 CO 0.27 -0.97 1.57 1.23 0.98 0.00 0.00 173.24 176.32 1sij h GLY 313 N 2.26 -1.11 0.08 7.32 0.00 -1.94 -2.71 103.07 106.96 1sij h GLY 313 Ca -0.31 0.56 0.17 0.00 0.00 0.00 0.00 47.33 47.75 1sij h GLY 313 CO 0.41 -0.33 0.43 -2.55 0.00 0.00 0.00 176.54 174.50 1sij h PRO 314 N -0.87 0.53 -0.41 4.80 0.11 -1.97 -0.36 132.00 133.83 1sij h PRO 314 Ca -0.03 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1sij h PRO 314 Cb 0.80 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1sij h PRO 314 CO -0.14 0.35 0.11 0.00 -0.21 0.00 0.00 178.00 178.12 1sij h ALA 315 N 1.61 0.54 0.00 -0.75 0.00 -1.96 -3.00 119.26 115.70 1sij h ALA 315 Ca 0.50 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1sij h ALA 315 Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1sij h ALA 315 CO -0.42 0.21 -0.37 0.00 0.00 0.00 0.00 179.25 178.67 1sij h ALA 316 N 0.96 0.89 -0.00 0.00 0.00 -1.12 -3.20 119.26 116.79 1sij h ALA 316 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sij h ALA 316 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sij h ALA 316 CO -0.00 0.46 -0.18 0.00 0.00 0.00 0.00 179.25 179.53 1sij n ALA 317 N -2.24 2.81 -1.74 0.00 0.00 -0.19 -4.66 120.51 114.50 1sij n ALA 317 Ca 0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1sij n ALA 317 Cb 0.57 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.74 1sij n ALA 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sij n ALA 318 N -1.36 1.37 -0.37 0.00 0.00 -1.14 -4.92 120.51 114.09 1sij n ALA 318 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1sij n ALA 318 Cb 0.32 -2.34 0.14 0.00 0.00 0.00 0.00 19.45 17.57 1sij n ALA 318 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sij h GLU 319 N 1.00 1.21 -0.03 0.00 4.39 -1.92 -2.48 114.58 116.75 1sij h GLU 319 Ca -0.51 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1sij h GLU 319 Cb 1.32 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1sij h GLU 319 CO 0.55 0.80 0.00 -0.40 -1.16 0.00 0.00 179.01 178.80 1sij n ASP 320 N -4.45 0.21 -4.74 1.42 5.75 -1.26 -4.91 116.55 108.57 1sij n ASP 320 Ca 0.14 -1.57 -0.41 0.00 -0.01 0.00 0.00 54.79 52.93 1sij n ASP 320 Cb 0.10 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 1sij n ASP 320 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sij s ALA 321 N -1.97 3.44 0.18 2.12 0.00 -0.94 -5.00 121.76 119.59 1sij s ALA 321 Ca 0.23 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1sij s ALA 321 Cb 0.11 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 1sij s ALA 321 CO 0.18 -0.38 1.29 0.42 0.00 0.00 0.00 175.76 177.27 1sij s ILE 322 N -0.01 3.33 0.01 0.00 -1.09 -1.26 -4.95 121.20 117.23 1sij s ILE 322 Ca 0.53 1.08 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1sij s ILE 322 Cb -0.33 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 36.79 1sij s ILE 322 CO 0.36 0.15 1.87 -1.61 -1.23 0.00 0.00 174.94 174.48 1sij s GLU 323 N 0.05 4.15 0.08 2.79 2.02 -1.26 -4.90 118.70 121.63 1sij s GLU 323 Ca 0.57 2.48 -0.19 0.00 0.02 0.00 0.00 54.97 57.85 1sij s GLU 323 Cb -0.35 -4.10 -0.09 0.00 0.10 0.00 0.00 34.13 29.68 1sij s GLU 323 CO 0.37 -0.92 1.51 0.82 0.02 0.00 0.00 175.26 177.05 1sij h ILE 324 N 5.61 1.26 -3.25 -1.63 2.04 -1.93 -3.35 117.51 116.27 1sij h ILE 324 Ca -0.46 -0.92 -0.73 0.00 1.00 0.00 0.00 64.86 63.74 1sij h ILE 324 Cb 1.22 1.40 -0.28 0.00 -0.74 0.00 0.00 36.82 38.42 1sij h ILE 324 CO 0.94 0.29 -0.35 -1.00 0.00 0.00 0.00 178.15 178.03 1sij s HIS 325 N -4.94 3.37 0.26 1.37 3.76 -1.26 -5.06 115.29 112.79 1sij s HIS 325 Ca -0.14 -1.69 -0.31 0.00 -0.15 0.00 0.00 55.06 52.78 1sij s HIS 325 Cb 0.07 -3.54 -0.13 0.00 1.11 0.00 0.00 32.58 30.09 1sij s HIS 325 CO 0.74 -0.99 1.44 -2.30 -0.85 0.00 0.00 174.74 172.78 1sij n PRO 326 N 5.00 2.18 0.00 8.40 -0.02 -1.26 -0.65 135.00 148.66 1sij n PRO 326 Ca -0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1sij n PRO 326 Cb 0.41 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1sij n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sij n GLY 327 N 2.04 3.04 3.24 -1.23 0.00 -1.26 -5.03 105.19 105.99 1sij n GLY 327 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1sij n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sij s THR 328 N -2.45 2.23 0.51 2.61 2.01 0.18 -5.04 115.64 115.69 1sij s THR 328 Ca 0.00 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 1sij s THR 328 Cb 0.00 -1.87 -0.06 0.00 0.01 0.00 0.00 72.50 70.58 1sij s THR 328 CO 0.00 0.55 1.19 -2.16 -0.69 0.00 0.00 174.62 173.51 1sij s PRO 329 N 0.36 3.46 0.22 4.92 0.04 -1.26 -4.43 135.00 138.30 1sij s PRO 329 Ca -0.17 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 62.59 1sij s PRO 329 Cb -0.18 -2.22 0.26 0.00 0.04 0.00 0.00 34.50 32.40 1sij s PRO 329 CO 0.08 -0.81 1.84 -0.91 0.04 0.00 0.00 177.00 177.25 1sij h ASN 330 N 1.59 0.74 -2.66 6.66 2.35 -1.90 -3.29 115.58 119.07 1sij h ASN 330 Ca -0.50 0.01 -0.55 0.00 -0.55 0.00 0.00 56.30 54.71 1sij h ASN 330 Cb 1.27 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 39.41 1sij h ASN 330 CO 0.58 0.49 0.99 -0.69 -1.65 0.00 0.00 177.43 177.16 1sij s VAL 331 N -6.09 3.86 -1.44 2.81 1.01 -1.26 -0.57 120.40 118.73 1sij s VAL 331 Ca -0.13 0.52 0.15 0.00 0.00 0.00 0.00 61.98 62.52 1sij s VAL 331 Cb 0.17 -4.84 0.02 0.00 0.00 0.00 0.00 36.38 31.73 1sij s VAL 331 CO 0.78 -1.66 0.83 0.00 0.00 0.00 0.00 175.10 175.05 1sij n TYR 332 N 8.94 0.00 -3.71 5.22 4.11 -0.51 -4.94 117.16 126.26 1sij n TYR 332 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.80 1sij n TYR 332 Cb 0.49 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.74 1sij n TYR 332 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1sij s PHE 333 N -1.67 -0.39 -0.03 -3.48 5.36 -1.22 0.13 117.98 116.68 1sij s PHE 333 Ca 0.13 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 56.95 1sij s PHE 333 Cb 0.12 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1sij s PHE 333 CO 0.33 -0.33 0.04 -1.21 -1.46 0.00 0.00 175.22 172.60 1sij s GLU 334 N -0.47 -0.04 -0.26 10.12 2.02 -1.26 -0.54 118.70 128.27 1sij s GLU 334 Ca -0.06 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.20 1sij s GLU 334 Cb -0.03 -0.30 0.06 0.00 0.10 0.00 0.00 34.13 33.96 1sij s GLU 334 CO 0.03 -0.20 -0.10 -1.14 0.02 0.00 0.00 175.26 173.86 1sij s GLN 335 N 1.31 2.18 0.56 1.61 2.00 0.21 -4.97 119.66 122.56 1sij s GLN 335 Ca -0.06 -1.33 -0.16 0.00 -2.00 0.00 0.00 55.36 51.81 1sij s GLN 335 Cb -0.13 -2.87 -0.05 0.00 0.80 0.00 0.00 33.01 30.76 1sij s GLN 335 CO -0.03 -0.58 1.02 -2.14 -0.50 0.00 0.00 175.29 173.06 1sij s PRO 336 N 1.12 3.60 -0.16 1.67 0.02 -1.26 -0.65 135.00 139.35 1sij s PRO 336 Ca -0.08 1.06 -0.00 0.00 0.02 0.00 0.00 61.00 62.00 1sij s PRO 336 Cb -0.20 -2.08 0.03 0.00 0.02 0.00 0.00 34.50 32.28 1sij s PRO 336 CO -0.05 -0.56 -0.08 -1.50 -0.33 0.00 0.00 177.00 174.47 1sij s ILE 337 N -2.58 1.26 -0.34 2.83 1.10 -0.03 -3.38 121.20 120.06 1sij s ILE 337 Ca 0.61 -0.62 0.01 0.00 -0.51 0.00 0.00 60.65 60.14 1sij s ILE 337 Cb -0.13 -1.34 0.10 0.00 0.15 0.00 0.00 42.46 41.25 1sij s ILE 337 CO 0.36 0.25 0.10 -0.69 -2.11 0.00 0.00 174.94 172.84 1sij s VAL 338 N 1.58 1.52 -0.06 4.00 1.01 0.14 -1.25 120.40 127.34 1sij s VAL 338 Ca 0.02 -1.93 0.05 0.00 0.00 0.00 0.00 61.98 60.12 1sij s VAL 338 Cb -0.14 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1sij s VAL 338 CO -0.08 -0.67 -0.22 -0.75 0.00 0.00 0.00 175.10 173.38 1sij s LYS 339 N 1.17 2.36 4.92 2.72 2.20 -0.34 -4.81 119.74 127.97 1sij s LYS 339 Ca 0.11 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1sij s LYS 339 Cb -0.19 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 1sij s LYS 339 CO -0.16 0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 1sij n GLY 340 N 3.19 2.21 3.88 5.54 0.00 -1.23 -0.92 105.19 117.85 1sij n GLY 340 Ca -0.18 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1sij n GLY 340 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sij s GLU 341 N 0.00 3.68 0.07 1.61 0.41 -1.26 -4.87 118.70 118.34 1sij s GLU 341 Ca 0.00 0.57 -0.36 0.00 -0.41 0.00 0.00 54.97 54.77 1sij s GLU 341 Cb 0.00 -2.24 -0.15 0.00 -1.78 0.00 0.00 34.13 29.96 1sij s GLU 341 CO 0.00 -0.30 1.49 -0.25 -0.49 0.00 0.00 175.26 175.70 1sij n ASP 342 N -2.11 2.31 0.09 -0.19 8.00 -1.26 -4.46 116.55 118.94 1sij n ASP 342 Ca 0.04 1.09 -0.00 0.00 0.71 0.00 0.00 54.79 56.63 1sij n ASP 342 Cb 0.54 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.33 1sij n ASP 342 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1sij h THR 343 N 3.72 0.96 -0.41 -3.53 1.35 -1.92 -3.37 112.91 109.71 1sij h THR 343 Ca -0.47 -2.44 0.04 0.00 -0.55 0.00 0.00 66.41 63.00 1sij h THR 343 Cb 1.30 2.43 -0.07 0.00 -1.73 0.00 0.00 68.15 70.08 1sij h THR 343 CO 0.84 0.55 -0.42 1.23 -0.25 0.00 0.00 175.52 177.46 1sij h GLY 344 N 3.44 -1.27 2.00 5.82 0.00 -1.99 0.38 103.07 111.45 1sij h GLY 344 Ca -0.05 0.78 -0.05 0.00 0.00 0.00 0.00 47.33 48.02 1sij h GLY 344 CO 0.07 -0.26 -0.22 -2.55 0.00 0.00 0.00 176.54 173.58 1sij h PRO 345 N -0.23 0.00 -0.11 4.80 0.11 -2.00 -2.61 132.00 131.97 1sij h PRO 345 Ca 0.07 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.99 1sij h PRO 345 Cb 0.41 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1sij h PRO 345 CO -0.51 0.22 -0.72 0.82 -0.21 0.00 0.00 178.00 177.60 1sij h ILE 346 N 0.00 1.35 -0.39 4.15 2.04 -1.56 -2.85 117.51 120.25 1sij h ILE 346 Ca -0.00 -2.06 -0.09 0.00 1.00 0.00 0.00 64.86 63.70 1sij h ILE 346 Cb 0.42 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1sij h ILE 346 CO 0.03 0.63 -0.14 -0.26 0.00 0.00 0.00 178.15 178.41 1sij h PHE 347 N 0.35 0.77 -0.29 1.37 0.04 -0.79 -2.53 116.94 115.86 1sij h PHE 347 Ca -0.03 -0.14 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 1sij h PHE 347 Cb 1.30 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 1sij h PHE 347 CO 0.05 0.80 -0.09 0.00 -0.60 0.00 0.00 178.31 178.47 1sij h ALA 348 N 1.21 1.30 -0.11 2.45 0.00 -1.39 -3.26 119.26 119.46 1sij h ALA 348 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sij h ALA 348 Cb 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sij h ALA 348 CO 0.04 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 1sij n SER 349 N -4.23 2.80 -4.83 0.00 3.41 -1.09 -5.00 113.62 104.68 1sij n SER 349 Ca 0.01 -1.85 -0.33 0.00 -0.26 0.00 0.00 58.87 56.44 1sij n SER 349 Cb 0.30 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1sij n SER 349 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sij s ALA 350 N -1.56 3.09 0.18 7.33 0.00 -0.96 -4.98 121.76 124.87 1sij s ALA 350 Ca 0.26 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.36 1sij s ALA 350 Cb 0.17 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 20.31 1sij s ALA 350 CO 0.25 0.04 1.83 -0.44 0.00 0.00 0.00 175.76 177.44 1sij h ASP 351 N 1.62 0.71 -3.64 0.00 3.32 -1.88 -3.44 116.42 113.11 1sij h ASP 351 Ca -0.48 -0.04 -0.32 0.00 0.02 0.00 0.00 57.03 56.21 1sij h ASP 351 Cb 1.18 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 1sij h ASP 351 CO 0.62 0.55 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.25 1sij s VAL 352 N -6.05 0.22 0.06 -1.35 1.01 -0.85 -4.96 120.40 108.48 1sij s VAL 352 Ca -0.13 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1sij s VAL 352 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 1sij s VAL 352 CO 0.76 0.11 -0.21 0.42 0.00 0.00 0.00 175.10 176.18 1sij s THR 353 N 0.53 1.72 0.14 3.92 -4.23 -1.26 -0.82 115.64 115.65 1sij s THR 353 Ca -0.05 -1.32 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1sij s THR 353 Cb -0.08 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 1sij s THR 353 CO -0.01 0.14 -0.13 0.68 -0.54 0.00 0.00 174.62 174.75 1sij s VAL 354 N -0.91 1.37 0.04 2.29 -7.23 -0.65 -5.00 120.40 110.31 1sij s VAL 354 Ca 0.08 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 1sij s VAL 354 Cb -0.09 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.20 1sij s VAL 354 CO 0.03 -0.50 0.31 -1.83 -0.31 0.00 0.00 175.10 172.80 1sij s GLU 355 N -3.01 0.80 -0.02 4.82 -1.05 -1.26 -1.52 118.70 117.46 1sij s GLU 355 Ca 0.12 -0.45 -0.18 0.00 -0.15 0.00 0.00 54.97 54.31 1sij s GLU 355 Cb -0.03 0.35 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 1sij s GLU 355 CO 0.03 -0.25 0.38 0.20 0.95 0.00 0.00 175.26 176.57 1sij s GLY 356 N -1.96 -0.23 -0.22 -3.83 0.00 -0.56 -5.01 107.32 95.50 1sij s GLY 356 Ca -0.06 0.50 -0.07 0.00 0.00 0.00 0.00 44.72 45.09 1sij s GLY 356 CO -0.02 0.26 0.05 0.99 0.00 0.00 0.00 173.10 174.38 1sij s ASP 357 N -1.35 5.17 0.13 1.64 1.01 -1.26 -1.85 116.67 120.17 1sij s ASP 357 Ca -0.13 -0.14 0.07 0.00 0.71 0.00 0.00 52.55 53.07 1sij s ASP 357 Cb -0.04 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 1sij s ASP 357 CO 0.05 0.04 -0.16 -0.36 0.21 0.00 0.00 175.17 174.95 1sij s PHE 358 N 1.16 1.57 -0.02 4.23 0.40 0.12 -4.81 117.98 120.62 1sij s PHE 358 Ca 0.04 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1sij s PHE 358 Cb -0.14 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.60 1sij s PHE 358 CO 0.03 0.21 0.01 -0.47 0.70 0.00 0.00 175.22 175.70 1sij s TYR 359 N -2.01 0.13 -0.06 0.36 6.14 -0.57 -0.78 117.35 120.56 1sij s TYR 359 Ca 0.11 0.07 0.05 0.00 0.64 0.00 0.00 57.07 57.93 1sij s TYR 359 Cb -0.06 -0.26 -0.00 0.00 0.42 0.00 0.00 41.96 42.06 1sij s TYR 359 CO 0.04 -0.09 -0.20 0.08 0.64 0.00 0.00 175.55 176.03 1sij s VAL 360 N 0.87 1.65 0.00 3.14 1.01 -1.07 -1.57 120.40 124.42 1sij s VAL 360 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1sij s VAL 360 Cb -0.11 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1sij s VAL 360 CO -0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1sij n GLY 361 N 3.20 2.16 2.61 4.51 0.00 -1.26 -1.33 105.19 115.07 1sij n GLY 361 Ca -0.18 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1sij n GLY 361 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sij n ARG 362 N -0.07 3.79 -1.69 1.61 0.63 -1.26 -4.06 116.66 115.60 1sij n ARG 362 Ca 0.00 -3.07 -0.44 0.00 -0.92 0.00 0.00 57.85 53.42 1sij n ARG 362 Cb 0.00 -2.88 -0.04 0.00 0.45 0.00 0.00 32.46 29.99 1sij n ARG 362 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1sij n GLN 363 N 3.58 2.49 -3.18 -0.14 7.27 -1.25 -1.44 117.38 124.71 1sij n GLN 363 Ca 0.57 0.90 -0.39 0.00 0.07 0.00 0.00 57.00 58.15 1sij n GLN 363 Cb 0.31 -2.73 -0.06 0.00 2.41 0.00 0.00 30.24 30.17 1sij n GLN 363 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1sij s PRO 364 N 1.89 4.34 0.32 3.69 0.04 -1.26 -2.31 135.00 141.70 1sij s PRO 364 Ca 0.81 0.77 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1sij s PRO 364 Cb -0.58 -3.35 0.53 0.00 0.04 0.00 0.00 34.50 31.14 1sij s PRO 364 CO 0.38 0.36 1.87 0.45 0.04 0.00 0.00 177.00 180.09 1sij h HIS 365 N 5.65 0.68 -6.53 0.56 3.86 -1.90 -3.48 115.15 114.00 1sij h HIS 365 Ca -0.45 -0.06 -0.50 0.00 -1.16 0.00 0.00 60.37 58.20 1sij h HIS 365 Cb 1.20 -0.20 0.03 0.00 1.06 0.00 0.00 27.41 29.50 1sij h HIS 365 CO 0.66 0.60 -0.97 -1.33 0.86 0.00 0.00 177.93 177.75 1sij n MET 366 N -4.29 -0.95 -2.24 2.45 2.81 -1.26 -4.94 117.12 108.69 1sij n MET 366 Ca 0.03 0.30 -0.34 0.00 -1.81 0.00 0.00 57.70 55.87 1sij n MET 366 Cb 0.22 -3.52 -0.00 0.00 -0.71 0.00 0.00 33.22 29.21 1sij n MET 366 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1sij s PRO 367 N -6.61 3.41 0.35 0.03 0.04 -1.26 -4.84 135.00 126.12 1sij s PRO 367 Ca 0.45 1.45 0.09 0.00 0.04 0.00 0.00 61.00 63.02 1sij s PRO 367 Cb -0.20 -2.03 0.66 0.00 0.04 0.00 0.00 34.50 32.97 1sij s PRO 367 CO 0.91 -0.77 1.82 0.82 0.04 0.00 0.00 177.00 179.82 1sij h ILE 368 N 1.04 1.24 -3.62 0.56 1.08 -1.90 -3.40 117.51 112.50 1sij h ILE 368 Ca -0.49 -1.14 -0.63 0.00 -0.39 0.00 0.00 64.86 62.21 1sij h ILE 368 Cb 1.24 1.47 -0.14 0.00 -3.07 0.00 0.00 36.82 36.32 1sij h ILE 368 CO 0.57 0.34 -0.08 -0.70 -0.69 0.00 0.00 178.15 177.60 1sij s GLU 369 N -4.41 3.85 0.61 2.37 2.12 -1.23 -4.23 118.70 117.78 1sij s GLU 369 Ca -0.05 0.04 -0.15 0.00 0.36 0.00 0.00 54.97 55.18 1sij s GLU 369 Cb 0.14 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1sij s GLU 369 CO 0.74 -0.47 1.05 -1.25 -0.54 0.00 0.00 175.26 174.79 1sij s PRO 370 N 2.30 3.29 0.34 4.30 0.04 -1.26 -4.84 135.00 139.17 1sij s PRO 370 Ca 0.19 1.11 -0.27 0.00 0.04 0.00 0.00 61.00 62.07 1sij s PRO 370 Cb -0.16 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 1sij s PRO 370 CO 0.11 -0.83 1.14 -3.47 0.04 0.00 0.00 177.00 174.00 1sij n ASP 371 N -2.27 1.99 -3.68 6.66 4.64 -1.26 -4.72 116.55 117.91 1sij n ASP 371 Ca 0.08 1.17 -0.12 0.00 -1.38 0.00 0.00 54.79 54.53 1sij n ASP 371 Cb 0.53 -1.39 -0.09 0.00 -1.04 0.00 0.00 41.12 39.13 1sij n ASP 371 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1sij s VAL 372 N -1.12 -0.00 0.13 5.18 0.11 -1.26 -0.23 120.40 123.21 1sij s VAL 372 Ca 0.58 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.54 1sij s VAL 372 Cb -0.61 -0.79 -0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1sij s VAL 372 CO 0.60 0.00 0.27 0.00 -3.33 0.00 0.00 175.10 172.65 1sij s ALA 373 N 0.58 -0.21 0.07 1.54 0.00 -0.33 -3.96 121.76 119.44 1sij s ALA 373 Ca -0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 1sij s ALA 373 Cb -0.05 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1sij s ALA 373 CO -0.03 -0.60 0.12 -0.59 0.00 0.00 0.00 175.76 174.65 1sij s PHE 374 N -3.91 0.26 0.08 0.00 -0.12 -0.32 -1.01 117.98 112.97 1sij s PHE 374 Ca 0.11 -0.70 -0.05 0.00 -0.05 0.00 0.00 56.93 56.24 1sij s PHE 374 Cb 0.04 -0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 1sij s PHE 374 CO -0.05 -0.47 0.10 0.00 -0.05 0.00 0.00 175.22 174.74 1sij s ALA 375 N -3.69 0.21 0.01 1.99 0.00 -0.51 -0.87 121.76 118.90 1sij s ALA 375 Ca 0.04 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 1sij s ALA 375 Cb 0.05 0.48 0.08 0.00 0.00 0.00 0.00 23.12 23.73 1sij s ALA 375 CO -0.10 -0.46 0.71 1.52 0.00 0.00 0.00 175.76 177.43 1sij s TYR 376 N -3.91 -0.56 -0.27 0.00 -0.85 -0.58 -0.71 117.35 110.46 1sij s TYR 376 Ca 0.09 0.73 -0.25 0.00 -0.52 0.00 0.00 57.07 57.12 1sij s TYR 376 Cb 0.06 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.88 1sij s TYR 376 CO -0.08 -0.65 0.85 -1.64 -1.52 0.00 0.00 175.55 172.51 1sij s MET 377 N -2.18 4.11 0.88 -3.49 -1.94 -1.26 -0.70 119.30 114.71 1sij s MET 377 Ca -0.05 0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 54.69 1sij s MET 377 Cb -0.00 -3.68 0.12 0.00 2.01 0.00 0.00 34.83 33.28 1sij s MET 377 CO -0.00 -0.61 1.12 0.20 -0.01 0.00 0.00 175.02 175.72 1sij s GLY 378 N 1.45 1.59 0.42 -0.03 0.00 -0.33 -4.94 107.32 105.47 1sij s GLY 378 Ca 0.36 -0.41 0.09 0.00 0.00 0.00 0.00 44.72 44.76 1sij s GLY 378 CO 0.10 0.11 2.01 -0.55 0.00 0.00 0.00 173.10 174.76 1sij h ASP 379 N -1.39 0.30 0.00 1.64 3.32 -1.97 -1.95 116.42 116.37 1sij h ASP 379 Ca -0.50 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1sij h ASP 379 Cb 1.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1sij h ASP 379 CO 0.61 0.31 0.00 -0.90 -1.72 0.00 0.00 179.24 177.54 1sij n ASP 380 N -4.40 0.00 0.00 6.45 5.68 -1.26 -4.87 116.55 118.15 1sij n ASP 380 Ca 0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 1sij n ASP 380 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1sij n ASP 380 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sij n GLY 381 N 0.12 1.24 3.84 6.12 0.00 -0.73 -5.04 105.19 110.74 1sij n GLY 381 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1sij n GLY 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sij s LYS 382 N -0.12 3.98 -0.22 1.61 1.02 -1.26 -4.84 119.74 119.90 1sij s LYS 382 Ca 0.00 0.90 -0.16 0.00 0.02 0.00 0.00 55.97 56.73 1sij s LYS 382 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1sij s LYS 382 CO 0.00 -0.17 0.40 0.00 -0.92 0.00 0.00 175.35 174.66 1sij s TYR 384 N 1.58 3.22 -0.11 0.00 1.51 0.12 -0.23 117.35 123.44 1sij s TYR 384 Ca 0.18 0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.36 1sij s TYR 384 Cb -0.15 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1sij s TYR 384 CO 0.08 0.25 -0.23 0.42 -1.11 0.00 0.00 175.55 174.97 1sij s ILE 385 N -0.06 2.12 -0.23 2.71 1.01 0.99 -1.53 121.20 126.21 1sij s ILE 385 Ca 0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1sij s ILE 385 Cb -0.12 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1sij s ILE 385 CO 0.01 0.55 -0.09 -1.00 0.00 0.00 0.00 174.94 174.42 1sij s HIS 386 N 0.48 2.98 0.00 3.97 3.76 -0.05 -0.09 115.29 126.34 1sij s HIS 386 Ca -0.15 -1.43 0.00 0.00 -0.15 0.00 0.00 55.06 53.33 1sij s HIS 386 Cb -0.17 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.48 1sij s HIS 386 CO 0.06 -0.70 0.00 -1.13 -0.85 0.00 0.00 174.74 172.11 1sij n SER 387 N 4.69 0.00 -1.23 1.40 3.41 -0.54 -1.17 113.62 120.17 1sij n SER 387 Ca -0.18 -0.61 0.05 0.00 -0.26 0.00 0.00 58.87 57.87 1sij n SER 387 Cb 0.49 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.68 1sij n SER 387 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sij n LYS 388 N 0.00 3.06 -1.67 4.33 5.02 -1.25 -0.30 118.16 127.35 1sij n LYS 388 Ca 0.00 -1.92 -0.46 0.00 -2.02 0.00 0.00 58.31 53.91 1sij n LYS 388 Cb 0.00 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.17 1sij n LYS 388 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sij n SER 389 N 0.55 3.16 -1.52 4.39 2.88 -1.26 -4.82 113.62 117.00 1sij n SER 389 Ca 0.17 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.87 1sij n SER 389 Cb 0.72 -1.42 0.35 0.00 -0.75 0.00 0.00 64.21 63.10 1sij n SER 389 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1sij n ILE 390 N 3.69 1.77 -2.95 2.46 -6.64 -1.14 -4.60 119.36 111.95 1sij n ILE 390 Ca 0.18 -1.21 -0.11 0.00 -1.77 0.00 0.00 62.75 59.84 1sij n ILE 390 Cb 0.29 0.15 -0.02 0.00 -1.44 0.00 0.00 39.64 38.62 1sij n ILE 390 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1sij s GLY 391 N -0.96 -0.52 0.13 3.28 0.00 -1.26 -0.41 107.32 107.58 1sij s GLY 391 Ca 0.50 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.05 1sij s GLY 391 CO 0.24 3.20 1.58 -0.39 0.00 0.00 0.00 173.10 177.73 1sij h VAL 392 N 4.89 1.26 -0.51 1.40 -1.51 -1.90 -0.14 116.25 119.75 1sij h VAL 392 Ca 0.12 -1.06 -0.08 0.00 -1.23 0.00 0.00 66.70 64.46 1sij h VAL 392 Cb 1.05 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1sij h VAL 392 CO 0.12 0.36 0.02 0.45 -1.23 0.00 0.00 177.57 177.29 1sij h HIS 393 N 0.61 0.95 0.20 5.19 3.86 -1.94 -1.67 115.15 122.35 1sij h HIS 393 Ca 0.12 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1sij h HIS 393 Cb 0.51 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1sij h HIS 393 CO 0.04 0.88 -0.15 1.25 0.86 0.00 0.00 177.93 180.81 1sij h LEU 394 N 0.75 -0.40 -1.05 2.43 5.85 -1.92 -3.08 115.31 117.89 1sij h LEU 394 Ca 0.15 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1sij h LEU 394 Cb 0.49 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1sij h LEU 394 CO 0.02 -0.24 -0.10 0.45 -0.34 0.00 0.00 178.44 178.23 1sij h HIS 395 N -0.37 0.61 -0.61 1.25 3.86 -0.98 -2.06 115.15 116.85 1sij h HIS 395 Ca -0.01 -0.09 0.13 0.00 -1.16 0.00 0.00 60.37 59.23 1sij h HIS 395 Cb 0.32 -0.16 -0.11 0.00 1.06 0.00 0.00 27.41 28.52 1sij h HIS 395 CO -0.11 0.65 -0.07 1.25 0.86 0.00 0.00 177.93 180.51 1sij h LEU 396 N 0.52 -0.41 0.00 2.43 5.85 -1.23 -0.13 115.31 122.34 1sij h LEU 396 Ca 0.10 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1sij h LEU 396 Cb 0.49 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1sij h LEU 396 CO 0.03 -0.16 -0.36 1.88 -0.34 0.00 0.00 178.44 179.49 1sij h TYR 397 N 0.06 0.00 -0.08 1.25 -1.99 -1.36 0.83 116.97 115.67 1sij h TYR 397 Ca 0.31 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.89 1sij h TYR 397 Cb 0.49 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 1sij h TYR 397 CO -0.43 0.33 -0.60 0.52 -0.00 0.00 0.00 178.16 177.98 1sij h MET 398 N 0.00 0.28 0.00 4.88 2.86 -0.90 -3.38 114.93 118.67 1sij h MET 398 Ca -0.01 -0.19 -0.21 0.00 -2.06 0.00 0.00 59.70 57.23 1sij h MET 398 Cb 1.25 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.90 1sij h MET 398 CO 0.04 0.80 -2.01 0.44 1.06 0.00 0.00 176.91 177.24 1sij n ILE 399 N -3.88 0.80 -0.11 -1.22 -5.35 -0.10 -2.43 119.36 107.07 1sij n ILE 399 Ca -0.03 -0.60 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 1sij n ILE 399 Cb 0.62 -0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.08 1sij n ILE 399 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sij h ALA 400 N 0.99 -0.38 0.00 -1.28 0.00 -1.01 -0.99 119.26 116.60 1sij h ALA 400 Ca -0.32 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1sij h ALA 400 Cb 1.66 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1sij h ALA 400 CO 0.02 -0.83 -0.17 -1.35 0.00 0.00 0.00 179.25 176.91 1sij h PRO 401 N -0.33 0.00 -0.17 0.00 0.11 -1.83 -0.10 132.00 129.69 1sij h PRO 401 Ca 0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 1sij h PRO 401 Cb 0.58 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1sij h PRO 401 CO -0.54 0.17 -0.08 0.78 -0.21 0.00 0.00 178.00 178.12 1sij h GLY 402 N 0.67 0.39 1.73 -0.55 0.00 -1.30 -1.02 103.07 102.99 1sij h GLY 402 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1sij h GLY 402 CO 0.02 0.32 -0.18 3.33 0.00 0.00 0.00 176.54 180.03 1sij n VAL 403 N -4.61 0.35 -1.22 4.60 0.24 -0.52 -1.58 118.33 115.60 1sij n VAL 403 Ca -0.05 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1sij n VAL 403 Cb 0.31 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1sij n VAL 403 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sij n GLY 404 N 1.38 1.05 3.29 7.63 0.00 -0.13 -3.46 105.19 114.94 1sij n GLY 404 Ca 0.05 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1sij n GLY 404 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sij s LEU 405 N -0.28 2.23 0.47 0.99 1.43 -0.69 -4.76 118.68 118.06 1sij s LEU 405 Ca 0.00 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.28 1sij s LEU 405 Cb 0.00 -1.01 -0.08 0.00 0.03 0.00 0.00 46.19 45.13 1sij s LEU 405 CO 0.00 0.14 1.08 -1.61 0.23 0.00 0.00 176.35 176.19 1sij s GLU 406 N -1.51 3.82 0.40 1.70 0.41 -1.26 -4.14 118.70 118.11 1sij s GLU 406 Ca 0.08 1.52 0.21 0.00 -0.41 0.00 0.00 54.97 56.37 1sij s GLU 406 Cb -0.09 -2.26 1.18 0.00 -1.78 0.00 0.00 34.13 31.17 1sij s GLU 406 CO 0.03 -0.44 1.71 -1.35 -0.49 0.00 0.00 175.26 174.72 1sij h PRO 407 N 1.85 0.30 0.00 0.39 0.11 -1.94 0.31 132.00 133.02 1sij h PRO 407 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1sij h PRO 407 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sij h PRO 407 CO 0.60 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 1sij n ASP 408 N -4.72 0.72 -1.07 -2.05 5.75 -1.26 -3.38 116.55 110.55 1sij n ASP 408 Ca 0.30 0.66 0.12 0.00 -0.01 0.00 0.00 54.79 55.85 1sij n ASP 408 Cb 1.04 -0.82 0.17 0.00 -1.03 0.00 0.00 41.12 40.48 1sij n ASP 408 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sij n GLN 409 N -2.27 2.40 -4.52 0.11 1.13 0.11 -4.90 117.38 109.43 1sij n GLN 409 Ca 0.03 -2.14 -0.21 0.00 -1.94 0.00 0.00 57.00 52.74 1sij n GLN 409 Cb 0.27 -1.49 -0.15 0.00 0.11 0.00 0.00 30.24 28.98 1sij n GLN 409 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1sij s LEU 410 N -1.64 2.03 -0.09 1.08 0.05 -1.22 -0.84 118.68 118.05 1sij s LEU 410 Ca 0.34 -0.23 0.02 0.00 0.05 0.00 0.00 54.13 54.31 1sij s LEU 410 Cb 0.21 -0.61 0.01 0.00 -2.05 0.00 0.00 46.19 43.76 1sij s LEU 410 CO 0.30 0.14 -0.14 -0.69 -0.55 0.00 0.00 176.35 175.41 1sij s VAL 411 N -0.31 1.37 -0.12 1.48 1.01 0.68 -4.93 120.40 119.57 1sij s VAL 411 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1sij s VAL 411 Cb -0.05 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1sij s VAL 411 CO -0.00 0.41 -0.07 -0.76 0.00 0.00 0.00 175.10 174.68 1sij s LEU 412 N 0.89 3.11 -0.03 3.92 1.02 -1.26 -0.01 118.68 126.32 1sij s LEU 412 Ca -0.09 -0.14 0.03 0.00 0.02 0.00 0.00 54.13 53.95 1sij s LEU 412 Cb -0.15 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.34 1sij s LEU 412 CO 0.00 0.23 -0.12 -0.69 0.02 0.00 0.00 176.35 175.80 1sij s VAL 413 N -0.01 0.98 -0.25 -1.59 1.01 0.87 -1.37 120.40 120.05 1sij s VAL 413 Ca -0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1sij s VAL 413 Cb -0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1sij s VAL 413 CO 0.03 0.30 0.65 0.00 0.00 0.00 0.00 175.10 176.08 1sij s ALA 414 N 0.11 3.61 0.73 5.51 0.00 -0.74 -1.46 121.76 129.52 1sij s ALA 414 Ca -0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1sij s ALA 414 Cb -0.09 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1sij s ALA 414 CO 0.01 -0.80 1.08 -0.80 0.00 0.00 0.00 175.76 175.25 1sij s ASN 415 N 1.44 4.93 0.27 0.00 0.01 0.59 -4.57 114.94 117.60 1sij s ASN 415 Ca 0.27 1.75 -0.30 0.00 -0.71 0.00 0.00 52.86 53.87 1sij s ASN 415 Cb -0.15 -2.51 -0.13 0.00 0.41 0.00 0.00 41.25 38.86 1sij s ASN 415 CO 0.08 -1.75 1.31 -2.65 -1.51 0.00 0.00 177.10 172.58 1sij n PRO 416 N -3.27 1.92 -4.08 -0.60 -0.02 -1.26 -4.81 135.00 122.88 1sij n PRO 416 Ca 0.08 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1sij n PRO 416 Cb 0.53 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1sij n PRO 416 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sij s MET 417 N -0.99 0.55 -1.16 -0.52 0.23 -1.26 -3.98 119.30 112.17 1sij s MET 417 Ca 0.63 -0.74 -0.04 0.00 -1.03 0.00 0.00 55.69 54.52 1sij s MET 417 Cb -0.65 -0.35 0.18 0.00 -1.53 0.00 0.00 34.83 32.48 1sij s MET 417 CO 0.55 0.07 2.24 0.41 -2.03 0.00 0.00 175.02 176.26 1sij n GLY 418 N 1.54 5.44 0.00 3.16 0.00 -1.26 -4.52 105.19 109.55 1sij n GLY 418 Ca -0.22 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.59 1sij n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sij n GLY 419 N 1.06 -2.69 0.00 -0.02 0.00 -0.84 -3.51 105.19 99.18 1sij n GLY 419 Ca 0.57 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1sij n GLY 419 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sij n THR 420 N -1.35 0.00 -2.29 2.61 -2.24 -1.26 -4.81 114.28 104.94 1sij n THR 420 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1sij n THR 420 Cb 0.00 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1sij n THR 420 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1sij n PHE 421 N -1.34 -1.09 0.00 4.78 3.01 -1.26 -2.64 117.46 118.92 1sij n PHE 421 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1sij n PHE 421 Cb 0.01 -3.26 0.00 0.00 -0.01 0.00 0.00 39.48 36.21 1sij n PHE 421 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sij n GLY 422 N -0.82 1.61 0.27 1.37 0.00 -1.26 -1.35 105.19 105.00 1sij n GLY 422 Ca -0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.01 1sij n GLY 422 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1sij h TYR 423 N 0.00 0.00 -0.48 1.61 -0.00 -1.33 -0.19 116.97 116.58 1sij h TYR 423 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1sij h TYR 423 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1sij h TYR 423 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1sij n LYS 424 N -2.88 2.55 0.24 0.10 4.76 -1.26 -3.07 118.16 118.61 1sij n LYS 424 Ca -0.01 -1.91 0.13 0.00 -2.87 0.00 0.00 58.31 53.65 1sij n LYS 424 Cb 0.18 -1.55 0.52 0.00 -1.84 0.00 0.00 35.03 32.34 1sij n LYS 424 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1sij h PHE 425 N 2.91 0.00 -2.94 2.13 3.57 -1.36 -3.02 116.94 118.24 1sij h PHE 425 Ca 0.00 0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.88 1sij h PHE 425 Cb 0.89 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1sij h PHE 425 CO 0.44 0.12 -0.36 -1.12 -2.23 0.00 0.00 178.31 175.16 1sij s SER 426 N -6.00 6.52 0.32 0.41 0.01 -1.18 -4.95 113.70 108.84 1sij s SER 426 Ca 0.01 0.60 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 1sij s SER 426 Cb 0.09 -2.10 -0.11 0.00 0.21 0.00 0.00 66.02 64.11 1sij s SER 426 CO 0.60 0.24 1.51 -2.84 0.41 0.00 0.00 173.24 173.17 1sij s PRO 427 N -1.77 4.16 0.03 12.44 0.02 -1.26 -4.94 135.00 143.67 1sij s PRO 427 Ca 0.28 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.80 1sij s PRO 427 Cb -0.13 -3.02 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 1sij s PRO 427 CO 0.16 -0.53 -0.02 0.25 -0.33 0.00 0.00 177.00 176.53 1sij n THR 428 N 1.51 0.63 0.27 0.99 -2.24 -1.26 -4.94 114.28 109.24 1sij n THR 428 Ca 0.05 0.22 0.03 0.00 -2.27 0.00 0.00 64.05 62.08 1sij n THR 428 Cb 0.39 -1.37 0.01 0.00 -2.10 0.00 0.00 70.33 67.26 1sij n THR 428 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sij n SER 429 N -3.06 1.25 0.08 3.42 3.41 -1.26 -4.77 113.62 112.70 1sij n SER 429 Ca -0.01 -1.13 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1sij n SER 429 Cb 0.03 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1sij n SER 429 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sij h GLU 430 N 0.99 -0.17 -0.10 4.33 3.07 -1.97 -1.04 114.58 119.68 1sij h GLU 430 Ca 0.00 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 1sij h GLU 430 Cb 0.24 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1sij h GLU 430 CO 0.00 -0.11 -0.37 0.00 -1.40 0.00 0.00 179.01 177.13 1sij h ALA 431 N 0.74 1.19 -0.15 3.43 0.00 -1.96 -1.24 119.26 121.26 1sij h ALA 431 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1sij h ALA 431 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sij h ALA 431 CO -0.03 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 179.73 1sij h LEU 432 N 0.18 0.24 -0.85 0.00 3.38 -1.78 -0.93 115.31 115.56 1sij h LEU 432 Ca 0.02 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1sij h LEU 432 Cb 0.74 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1sij h LEU 432 CO 0.06 0.42 -0.32 -0.37 0.09 0.00 0.00 178.44 178.32 1sij h VAL 433 N 0.05 1.28 -0.06 1.22 -1.51 -1.12 -2.27 116.25 113.84 1sij h VAL 433 Ca 0.05 -1.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1sij h VAL 433 Cb 0.28 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1sij h VAL 433 CO 0.00 0.44 0.03 0.00 -1.23 0.00 0.00 177.57 176.82 1sij h ALA 434 N 1.24 0.07 -0.76 5.19 0.00 -1.09 -0.34 119.26 123.57 1sij h ALA 434 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sij h ALA 434 Cb 0.77 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1sij h ALA 434 CO 0.06 -0.41 0.49 0.28 0.00 0.00 0.00 179.25 179.67 1sij h VAL 435 N 0.03 1.13 -0.38 0.00 2.07 -1.11 -0.63 116.25 117.36 1sij h VAL 435 Ca 0.02 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1sij h VAL 435 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1sij h VAL 435 CO -0.00 0.18 -0.12 0.00 0.02 0.00 0.00 177.57 177.64 1sij h ALA 436 N 1.31 0.53 -0.58 1.67 0.00 -1.26 -1.37 119.26 119.55 1sij h ALA 436 Ca 0.30 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1sij h ALA 436 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1sij h ALA 436 CO -0.10 0.41 0.16 0.00 0.00 0.00 0.00 179.25 179.72 1sij h ALA 437 N 0.82 1.18 -0.09 0.00 0.00 -0.71 -2.22 119.26 118.24 1sij h ALA 437 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1sij h ALA 437 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sij h ALA 437 CO 0.04 0.57 -0.26 0.52 0.00 0.00 0.00 179.25 180.12 1sij h MET 438 N 0.86 0.34 -0.58 0.00 2.86 -0.99 -0.13 114.93 117.30 1sij h MET 438 Ca 0.19 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1sij h MET 438 Cb 0.29 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1sij h MET 438 CO -0.00 0.86 -0.02 0.00 1.06 0.00 0.00 176.91 178.80 1sij h ALA 439 N 0.48 0.87 0.00 6.32 0.00 -1.25 -3.27 119.26 122.41 1sij h ALA 439 Ca -0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1sij h ALA 439 Cb 0.88 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1sij h ALA 439 CO 0.06 0.66 -1.58 0.25 0.00 0.00 0.00 179.25 178.63 1sij n THR 440 N -4.17 1.44 -0.73 0.00 -2.24 -0.84 -4.96 114.28 102.77 1sij n THR 440 Ca 0.03 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1sij n THR 440 Cb 0.35 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1sij n THR 440 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 441 N 1.49 1.40 3.81 3.38 0.00 -0.06 -5.03 105.19 110.18 1sij n GLY 441 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1sij n GLY 441 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sij s ARG 442 N -0.05 2.88 0.29 1.61 1.81 -1.24 -4.63 118.95 119.62 1sij s ARG 442 Ca 0.00 -1.04 -0.30 0.00 -1.72 0.00 0.00 55.73 52.67 1sij s ARG 442 Cb 0.00 -2.55 -0.11 0.00 -0.45 0.00 0.00 34.95 31.84 1sij s ARG 442 CO 0.00 0.42 1.54 -2.14 -0.68 0.00 0.00 175.30 174.44 1sij s PRO 443 N -3.67 4.17 0.12 3.54 0.02 -1.26 -4.44 135.00 133.47 1sij s PRO 443 Ca 0.32 2.49 0.08 0.00 0.02 0.00 0.00 61.00 63.92 1sij s PRO 443 Cb -0.08 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1sij s PRO 443 CO 0.24 -0.56 -0.20 0.14 -0.33 0.00 0.00 177.00 176.29 1sij s VAL 444 N -0.10 1.72 -0.02 3.83 -7.23 0.11 0.08 120.40 118.79 1sij s VAL 444 Ca 0.61 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1sij s VAL 444 Cb -0.46 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 34.90 1sij s VAL 444 CO 0.48 -0.12 0.02 -2.28 -0.31 0.00 0.00 175.10 172.89 1sij s HIS 445 N -1.36 0.07 -0.14 2.82 2.46 0.35 -1.43 115.29 118.06 1sij s HIS 445 Ca 0.08 0.10 -0.00 0.00 0.47 0.00 0.00 55.06 55.71 1sij s HIS 445 Cb -0.09 -0.25 0.03 0.00 -0.13 0.00 0.00 32.58 32.14 1sij s HIS 445 CO 0.05 -0.09 -0.06 -1.17 -2.47 0.00 0.00 174.74 170.99 1sij s LEU 446 N 0.99 1.45 -0.15 8.88 2.96 -0.18 0.10 118.68 132.73 1sij s LEU 446 Ca -0.09 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1sij s LEU 446 Cb -0.12 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.68 1sij s LEU 446 CO -0.03 -0.16 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.06 1sij s ARG 447 N 1.66 3.11 0.37 1.98 3.52 -1.26 -1.19 118.95 127.14 1sij s ARG 447 Ca 0.02 -0.81 -0.25 0.00 -0.13 0.00 0.00 55.73 54.57 1sij s ARG 447 Cb -0.14 -2.53 -0.09 0.00 -1.56 0.00 0.00 34.95 30.62 1sij s ARG 447 CO -0.08 -0.01 1.01 0.71 -0.81 0.00 0.00 175.30 176.12 1sij s TYR 448 N 0.85 3.41 0.59 5.12 1.51 0.68 -5.01 117.35 124.50 1sij s TYR 448 Ca -0.05 1.68 -0.05 0.00 -1.01 0.00 0.00 57.07 57.64 1sij s TYR 448 Cb -0.15 -3.05 0.01 0.00 -0.11 0.00 0.00 41.96 38.66 1sij s TYR 448 CO -0.02 -0.33 0.89 0.54 -1.11 0.00 0.00 175.55 175.52 1sij s ASN 449 N -1.60 5.52 0.40 2.29 2.20 -1.26 -4.52 114.94 117.97 1sij s ASN 449 Ca 0.55 0.64 0.13 0.00 -0.94 0.00 0.00 52.86 53.25 1sij s ASN 449 Cb -0.20 -1.61 0.97 0.00 -2.00 0.00 0.00 41.25 38.41 1sij s ASN 449 CO 0.26 -1.10 1.90 0.22 -2.94 0.00 0.00 177.10 175.44 1sij h TYR 450 N -0.17 0.59 -0.80 1.54 3.20 -1.79 -0.59 116.97 118.95 1sij h TYR 450 Ca -0.45 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.40 1sij h TYR 450 Cb 1.26 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 1sij h TYR 450 CO 0.45 0.23 0.34 1.96 -1.64 0.00 0.00 178.16 179.50 1sij h GLN 451 N 0.51 1.18 -0.13 1.82 7.50 -1.91 -1.09 115.11 122.99 1sij h GLN 451 Ca 0.39 -0.20 -0.14 0.00 0.50 0.00 0.00 58.65 59.21 1sij h GLN 451 Cb 0.80 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.12 1sij h GLN 451 CO -0.14 0.93 -0.51 1.96 -1.50 0.00 0.00 178.83 179.57 1sij h GLN 452 N 1.15 0.35 -0.82 1.46 4.20 -1.51 -0.27 115.11 119.66 1sij h GLN 452 Ca 0.27 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1sij h GLN 452 Cb 0.18 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1sij h GLN 452 CO -0.03 0.78 0.36 0.37 -0.67 0.00 0.00 178.83 179.64 1sij h GLN 453 N 0.27 1.21 -0.01 1.46 5.75 -0.67 0.18 115.11 123.30 1sij h GLN 453 Ca 0.01 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.27 1sij h GLN 453 Cb 1.00 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1sij h GLN 453 CO 0.09 0.96 -0.15 1.96 -2.65 0.00 0.00 178.83 179.03 1sij h GLN 454 N 1.19 0.12 0.00 1.69 1.08 -1.09 -3.24 115.11 114.86 1sij h GLN 454 Ca 0.28 -0.12 -0.13 0.00 -1.45 0.00 0.00 58.65 57.23 1sij h GLN 454 Cb 0.17 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1sij h GLN 454 CO -0.03 0.84 -0.70 1.96 -0.95 0.00 0.00 178.83 179.95 1sij h GLN 455 N -0.56 0.00 -0.40 1.46 4.20 -1.00 -3.39 115.11 115.42 1sij h GLN 455 Ca -0.02 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.42 1sij h GLN 455 Cb 0.88 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.28 1sij h GLN 455 CO 0.03 0.56 -1.03 0.98 -0.67 0.00 0.00 178.83 178.70 1sij n TYR 456 N -3.21 1.27 -4.34 2.96 -0.00 0.62 -4.80 117.16 109.67 1sij n TYR 456 Ca 0.00 -1.87 -0.18 0.00 -0.00 0.00 0.00 57.90 55.85 1sij n TYR 456 Cb 0.78 -0.24 -0.10 0.00 -0.00 0.00 0.00 39.34 39.79 1sij n TYR 456 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1sij s THR 457 N -3.33 1.51 0.96 2.97 -4.23 -1.22 -4.85 115.64 107.45 1sij s THR 457 Ca 0.33 -2.14 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1sij s THR 457 Cb 0.35 -2.10 0.17 0.00 1.34 0.00 0.00 72.50 72.26 1sij s THR 457 CO -0.05 -0.55 1.12 -0.83 -0.54 0.00 0.00 174.62 173.77 1sij s GLY 458 N -3.30 1.66 0.17 3.99 0.00 -1.26 -4.84 107.32 103.74 1sij s GLY 458 Ca 0.23 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.44 1sij s GLY 458 CO 0.06 0.91 -0.10 0.54 0.00 0.00 0.00 173.10 174.51 1sij s LYS 459 N -4.63 1.14 0.24 2.90 -0.14 -0.64 -4.64 119.74 113.98 1sij s LYS 459 Ca 0.67 -1.50 -0.31 0.00 -1.36 0.00 0.00 55.97 53.47 1sij s LYS 459 Cb -0.23 -0.73 -0.13 0.00 -1.68 0.00 0.00 37.83 35.06 1sij s LYS 459 CO 0.59 0.08 1.46 -2.13 -0.76 0.00 0.00 175.35 174.60 1sij n ARG 460 N -0.25 2.19 -2.89 1.68 0.63 -0.98 -1.67 116.66 115.37 1sij n ARG 460 Ca -0.09 0.78 -0.41 0.00 -0.92 0.00 0.00 57.85 57.21 1sij n ARG 460 Cb 0.61 -2.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.00 1sij n ARG 460 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1sij s SER 461 N 0.39 7.18 0.35 6.15 0.01 -1.26 -3.89 113.70 122.62 1sij s SER 461 Ca 0.68 1.42 -0.28 0.00 1.31 0.00 0.00 55.95 59.08 1sij s SER 461 Cb -0.62 -2.49 -0.11 0.00 0.21 0.00 0.00 66.02 63.02 1sij s SER 461 CO 0.48 -0.17 1.40 -2.84 0.41 0.00 0.00 173.24 172.52 1sij s PRO 462 N 0.81 4.24 -0.10 12.44 0.02 -1.24 -4.80 135.00 146.37 1sij s PRO 462 Ca 0.44 2.38 0.03 0.00 0.02 0.00 0.00 61.00 63.88 1sij s PRO 462 Cb -0.19 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 1sij s PRO 462 CO 0.23 -0.36 -0.22 -1.58 -0.33 0.00 0.00 177.00 174.74 1sij s TRP 463 N -1.06 2.60 -0.23 6.54 0.52 -0.44 -1.17 118.94 125.69 1sij s TRP 463 Ca 0.51 -0.89 -0.15 0.00 0.02 0.00 0.00 56.10 55.59 1sij s TRP 463 Cb -0.43 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.13 1sij s TRP 463 CO 0.57 -0.33 0.37 -1.21 0.02 0.00 0.00 176.95 176.37 1sij s GLU 464 N 0.23 4.10 -0.01 4.98 0.41 -0.83 -2.61 118.70 124.98 1sij s GLU 464 Ca -0.14 0.10 0.04 0.00 -0.41 0.00 0.00 54.97 54.56 1sij s GLU 464 Cb -0.17 -3.59 -0.01 0.00 -1.78 0.00 0.00 34.13 28.58 1sij s GLU 464 CO 0.07 -0.14 -0.13 -1.64 -0.49 0.00 0.00 175.26 172.93 1sij s MET 465 N 1.63 1.09 -0.15 1.61 -1.94 0.04 -1.36 119.30 120.21 1sij s MET 465 Ca 0.16 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1sij s MET 465 Cb -0.15 -1.05 0.02 0.00 2.01 0.00 0.00 34.83 35.66 1sij s MET 465 CO 0.08 0.29 -0.16 1.21 -0.01 0.00 0.00 175.02 176.43 1sij s ASN 466 N -0.32 2.80 0.06 3.03 3.84 -0.25 0.12 114.94 124.22 1sij s ASN 466 Ca 0.05 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.67 1sij s ASN 466 Cb -0.05 -1.27 -0.03 0.00 -0.55 0.00 0.00 41.25 39.35 1sij s ASN 466 CO -0.00 -0.02 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.39 1sij s VAL 467 N 1.33 1.65 0.01 -5.21 1.01 -0.77 -1.01 120.40 117.41 1sij s VAL 467 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.72 1sij s VAL 467 Cb -0.13 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1sij s VAL 467 CO -0.10 0.10 -0.06 -0.54 0.00 0.00 0.00 175.10 174.51 1sij s LYS 468 N -1.42 0.43 -0.05 2.72 1.02 0.35 -1.50 119.74 121.29 1sij s LYS 468 Ca 0.07 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.73 1sij s LYS 468 Cb -0.09 -0.34 -0.00 0.00 -0.52 0.00 0.00 37.83 36.88 1sij s LYS 468 CO 0.03 0.08 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.31 1sij s PHE 469 N -0.55 1.72 -0.06 3.18 2.99 -0.58 -1.93 117.98 122.75 1sij s PHE 469 Ca -0.02 -0.51 0.03 0.00 0.00 0.00 0.00 56.93 56.43 1sij s PHE 469 Cb -0.05 -1.16 -0.02 0.00 0.00 0.00 0.00 43.02 41.79 1sij s PHE 469 CO -0.00 -0.18 -0.16 0.00 -0.00 0.00 0.00 175.22 174.88 1sij s ALA 470 N 0.08 2.58 0.10 5.36 0.00 -0.38 -1.63 121.76 127.87 1sij s ALA 470 Ca -0.05 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1sij s ALA 470 Cb -0.12 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1sij s ALA 470 CO 0.02 0.48 0.39 0.00 0.00 0.00 0.00 175.76 176.65 1sij s ALA 471 N -0.46 -0.89 0.61 0.00 0.00 0.00 -0.08 121.76 120.95 1sij s ALA 471 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 1sij s ALA 471 Cb -0.12 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1sij s ALA 471 CO 0.02 -0.59 1.01 0.15 0.00 0.00 0.00 175.76 176.35 1sij s LYS 472 N -3.48 3.55 0.53 0.00 1.02 0.00 -2.01 119.74 119.36 1sij s LYS 472 Ca 0.01 0.68 0.20 0.00 0.02 0.00 0.00 55.97 56.88 1sij s LYS 472 Cb 0.01 -2.10 1.33 0.00 -0.52 0.00 0.00 37.83 36.55 1sij s LYS 472 CO -0.10 -0.56 2.10 -0.22 -0.92 0.00 0.00 175.35 175.65 1sij h LYS 473 N -0.29 0.00 0.00 1.68 3.64 -1.92 0.76 116.57 120.44 1sij h LYS 473 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1sij h LYS 473 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1sij h LYS 473 CO 0.62 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 1sij n ASP 474 N -4.45 0.00 0.00 4.20 5.68 -1.26 -4.89 116.55 115.82 1sij n ASP 474 Ca 0.02 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 1sij n ASP 474 Cb 0.27 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1sij n ASP 474 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sij n GLY 475 N 0.82 0.33 3.63 6.12 0.00 0.26 -5.04 105.19 111.30 1sij n GLY 475 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1sij n GLY 475 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sij s THR 476 N -2.00 3.33 0.26 2.61 2.01 -1.25 -4.75 115.64 115.85 1sij s THR 476 Ca 0.00 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1sij s THR 476 Cb 0.00 -3.34 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 1sij s THR 476 CO 0.00 -0.15 1.60 -0.76 -0.69 0.00 0.00 174.62 174.62 1sij s LEU 477 N 6.02 4.35 -0.10 4.42 1.43 -1.26 -0.82 118.68 132.73 1sij s LEU 477 Ca 0.84 2.89 0.04 0.00 -1.03 0.00 0.00 54.13 56.87 1sij s LEU 477 Cb -0.31 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.20 1sij s LEU 477 CO 0.34 -0.90 -0.04 0.18 0.23 0.00 0.00 176.35 176.16 1sij n LEU 478 N 2.64 1.70 -3.50 1.79 4.77 0.89 -4.78 117.00 120.51 1sij n LEU 478 Ca 0.10 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1sij n LEU 478 Cb 0.37 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1sij n LEU 478 CO 0.63 0.48 0.32 0.00 -1.33 0.00 0.00 177.39 177.49 1sij s ALA 479 N -2.21 -1.38 -0.01 -1.18 0.00 -1.07 -3.76 121.76 112.16 1sij s ALA 479 Ca -0.10 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1sij s ALA 479 Cb 0.03 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1sij s ALA 479 CO 0.29 -0.70 0.05 1.41 0.00 0.00 0.00 175.76 176.81 1sij s MET 480 N -3.60 0.18 0.01 0.00 1.75 0.08 -1.24 119.30 116.48 1sij s MET 480 Ca 0.01 -0.15 0.07 0.00 -1.25 0.00 0.00 55.69 54.37 1sij s MET 480 Cb -0.00 0.07 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 1sij s MET 480 CO -0.11 -0.03 -0.22 -1.21 -0.65 0.00 0.00 175.02 172.79 1sij s GLU 481 N -0.53 1.65 -0.04 4.11 2.02 -0.81 -2.09 118.70 123.02 1sij s GLU 481 Ca -0.06 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 1sij s GLU 481 Cb -0.04 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.51 1sij s GLU 481 CO 0.00 0.45 0.10 -1.54 0.02 0.00 0.00 175.26 174.29 1sij s SER 482 N -0.85 -0.10 -0.03 -0.19 1.04 -1.00 -0.50 113.70 112.07 1sij s SER 482 Ca 0.09 0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.69 1sij s SER 482 Cb -0.09 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1sij s SER 482 CO 0.00 -0.06 0.04 -1.81 0.98 0.00 0.00 173.24 172.40 1sij s ASP 483 N -0.04 0.62 -0.01 7.02 1.01 -0.18 -1.01 116.67 124.08 1sij s ASP 483 Ca -0.01 0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.32 1sij s ASP 483 Cb -0.01 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1sij s ASP 483 CO 0.00 -0.19 -0.04 -1.66 0.21 0.00 0.00 175.17 173.49 1sij s TRP 484 N 1.62 0.44 -0.21 4.23 -2.14 -0.74 -1.10 118.94 121.03 1sij s TRP 484 Ca -0.02 -0.08 -0.02 0.00 2.66 0.00 0.00 56.10 58.64 1sij s TRP 484 Cb -0.13 -0.34 0.01 0.00 -3.10 0.00 0.00 33.47 29.92 1sij s TRP 484 CO -0.03 -0.05 -0.10 -1.17 -2.66 0.00 0.00 176.95 172.94 1sij s LEU 485 N 0.18 2.68 -0.31 -4.66 2.96 -0.47 -0.11 118.68 118.95 1sij s LEU 485 Ca -0.02 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 1sij s LEU 485 Cb -0.05 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1sij s LEU 485 CO -0.00 -0.03 0.22 -0.69 -1.32 0.00 0.00 176.35 174.53 1sij s VAL 486 N 1.38 5.29 -0.50 1.68 1.01 0.13 -1.96 120.40 127.43 1sij s VAL 486 Ca 0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 1sij s VAL 486 Cb -0.14 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1sij s VAL 486 CO -0.07 0.11 0.86 -0.62 0.00 0.00 0.00 175.10 175.38 1sij s ASP 487 N 1.74 6.38 0.00 3.32 3.68 -0.32 -1.05 116.67 130.42 1sij s ASP 487 Ca 0.07 -0.24 0.14 0.00 2.13 0.00 0.00 52.55 54.64 1sij s ASP 487 Cb -0.17 -2.41 0.39 0.00 -1.45 0.00 0.00 42.92 39.28 1sij s ASP 487 CO 0.11 -1.07 1.32 1.57 0.13 0.00 0.00 175.17 177.23 1sij n HIS 488 N 7.07 0.58 -4.74 -5.34 -0.00 -0.69 -3.63 115.22 108.47 1sij n HIS 488 Ca 0.02 -0.48 0.00 0.00 0.46 0.00 0.00 57.72 57.72 1sij n HIS 488 Cb 0.48 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 1sij n HIS 488 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sij n GLY 489 N 0.84 -0.45 0.12 1.57 0.00 -1.24 -0.36 105.19 105.67 1sij n GLY 489 Ca 0.15 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1sij n GLY 489 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sij h PRO 490 N 0.00 0.00 -5.13 1.61 0.13 -1.19 -2.01 132.00 125.41 1sij h PRO 490 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1sij h PRO 490 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1sij h PRO 490 CO 0.00 0.00 -0.71 0.71 -0.23 0.00 0.00 178.00 177.77 1sij s TYR 491 N -3.13 2.96 -0.70 1.56 2.02 -1.26 -4.85 117.35 113.96 1sij s TYR 491 Ca 0.09 -0.68 0.25 0.00 -0.37 0.00 0.00 57.07 56.37 1sij s TYR 491 Cb 0.11 -2.03 0.89 0.00 -0.40 0.00 0.00 41.96 40.54 1sij s TYR 491 CO 0.63 -0.34 1.76 -1.13 -1.57 0.00 0.00 175.55 174.90 1sij n SER 492 N 4.26 0.66 -4.66 2.29 3.41 -1.26 -4.41 113.62 113.90 1sij n SER 492 Ca -0.18 0.59 -0.59 0.00 -0.26 0.00 0.00 58.87 58.43 1sij n SER 492 Cb 0.52 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1sij n SER 492 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1sij n GLU 493 N -2.15 0.84 -1.40 4.33 0.28 -1.26 -0.32 120.64 120.97 1sij n GLU 493 Ca 0.05 0.30 -0.15 0.00 -0.16 0.00 0.00 57.16 57.20 1sij n GLU 493 Cb 0.35 -1.98 -0.06 0.00 1.43 0.00 0.00 31.44 31.18 1sij n GLU 493 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1sij n PHE 494 N 5.72 -0.13 -0.13 -1.84 3.01 -1.26 -4.86 117.46 117.98 1sij n PHE 494 Ca 0.31 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.66 1sij n PHE 494 Cb 0.09 -2.88 -0.02 0.00 -0.01 0.00 0.00 39.48 36.66 1sij n PHE 494 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1sij h GLY 495 N 0.00 0.76 1.05 1.37 0.00 -1.00 -2.12 103.07 103.13 1sij h GLY 495 Ca -0.30 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.36 1sij h GLY 495 CO 0.44 0.55 0.15 1.29 0.00 0.00 0.00 176.54 178.97 1sij h ASP 496 N 0.51 1.04 -0.66 0.19 3.04 -1.89 -2.03 116.42 116.62 1sij h ASP 496 Ca 0.10 -0.24 -0.03 0.00 -3.24 0.00 0.00 57.03 53.62 1sij h ASP 496 Cb 0.55 -0.27 -0.03 0.00 -1.04 0.00 0.00 39.33 38.54 1sij h ASP 496 CO 0.03 1.01 0.29 0.25 -2.04 0.00 0.00 179.24 178.78 1sij h LEU 497 N 1.02 0.88 -0.70 0.15 5.85 -1.93 -1.29 115.31 119.28 1sij h LEU 497 Ca 0.21 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1sij h LEU 497 Cb 0.39 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1sij h LEU 497 CO 0.01 0.78 0.45 0.25 -0.34 0.00 0.00 178.44 179.59 1sij h LEU 498 N 0.91 0.76 -0.75 2.25 5.85 -1.18 -1.95 115.31 121.21 1sij h LEU 498 Ca 0.22 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1sij h LEU 498 Cb 0.15 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1sij h LEU 498 CO -0.02 0.54 0.49 0.74 -0.34 0.00 0.00 178.44 179.84 1sij h THR 499 N 0.91 1.15 -0.48 1.05 2.02 -0.99 -1.77 112.91 114.80 1sij h THR 499 Ca 0.27 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1sij h THR 499 Cb -0.04 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 1sij h THR 499 CO -0.08 0.18 0.32 0.25 0.37 0.00 0.00 175.52 176.56 1sij h LEU 500 N 0.97 0.35 -2.03 2.58 5.85 -0.51 -1.97 115.31 120.55 1sij h LEU 500 Ca 0.29 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1sij h LEU 500 Cb -0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1sij h LEU 500 CO -0.09 0.23 0.15 0.03 -0.34 0.00 0.00 178.44 178.42 1sij h ARG 501 N 0.40 0.00 -0.45 1.25 2.47 -0.71 -1.25 114.38 116.08 1sij h ARG 501 Ca 0.21 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.87 1sij h ARG 501 Cb 0.32 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 1sij h ARG 501 CO -0.05 0.00 0.03 0.78 0.56 0.00 0.00 179.97 181.29 1sij h GLY 502 N 0.00 0.78 1.71 0.04 0.00 -1.42 -0.85 103.07 103.32 1sij h GLY 502 Ca 0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1sij h GLY 502 CO -0.00 0.45 -0.24 0.00 0.00 0.00 0.00 176.54 176.75 1sij h ALA 503 N 1.35 1.24 0.00 3.60 0.00 -1.34 -2.60 119.26 121.51 1sij h ALA 503 Ca 0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1sij h ALA 503 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sij h ALA 503 CO 0.01 0.50 -1.06 1.96 0.00 0.00 0.00 179.25 180.66 1sij h GLN 504 N 0.31 0.00 0.00 0.00 4.20 -1.28 -3.42 115.11 114.92 1sij h GLN 504 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1sij h GLN 504 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1sij h GLN 504 CO 0.04 0.23 -0.43 1.19 -0.67 0.00 0.00 178.83 179.19 1sij n PHE 505 N -2.91 0.00 -1.88 2.96 3.01 -0.37 -4.55 117.46 113.72 1sij n PHE 505 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 1sij n PHE 505 Cb 0.73 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.17 1sij n PHE 505 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1sij s ILE 506 N -1.13 3.37 0.00 4.37 1.01 -0.98 -1.69 121.20 126.14 1sij s ILE 506 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1sij s ILE 506 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1sij s ILE 506 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1sij n GLY 507 N 4.59 0.73 3.72 6.18 0.00 -1.26 -4.93 105.19 114.23 1sij n GLY 507 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1sij n GLY 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij n ALA 508 N 0.25 1.50 0.00 4.61 0.00 -0.68 -3.44 120.51 122.75 1sij n ALA 508 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sij n ALA 508 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1sij n ALA 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sij n GLY 509 N 0.76 2.04 3.26 0.00 0.00 -1.26 -4.85 105.19 105.13 1sij n GLY 509 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1sij n GLY 509 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sij s TYR 510 N -2.02 1.65 -0.31 1.61 1.51 -1.22 -1.95 117.35 116.61 1sij s TYR 510 Ca 0.00 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 1sij s TYR 510 Cb 0.00 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1sij s TYR 510 CO 0.00 0.17 1.63 1.21 -1.11 0.00 0.00 175.55 177.44 1sij s ASN 511 N -1.86 6.20 -0.36 2.29 2.47 -0.46 -4.83 114.94 118.39 1sij s ASN 511 Ca 0.04 1.31 0.01 0.00 0.42 0.00 0.00 52.86 54.64 1sij s ASN 511 Cb -0.10 -2.53 0.11 0.00 -1.45 0.00 0.00 41.25 37.28 1sij s ASN 511 CO 0.04 -1.46 0.14 -0.63 -3.72 0.00 0.00 177.10 171.47 1sij s ILE 512 N 5.85 1.26 0.06 -5.21 1.01 -1.26 -4.71 121.20 118.19 1sij s ILE 512 Ca 0.72 -1.92 0.29 0.00 0.00 0.00 0.00 60.65 59.73 1sij s ILE 512 Cb -0.21 -1.92 0.32 0.00 0.01 0.00 0.00 42.46 40.66 1sij s ILE 512 CO 0.31 -0.74 1.88 -0.65 0.00 0.00 0.00 174.94 175.75 1sij h PRO 513 N 7.57 0.00 -4.14 2.79 0.11 -1.87 -3.42 132.00 133.04 1sij h PRO 513 Ca -0.08 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.49 1sij h PRO 513 Cb 0.99 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.72 1sij h PRO 513 CO 0.48 0.10 -0.79 -0.80 -0.21 0.00 0.00 178.00 176.78 1sij s ASN 514 N -5.95 2.63 -0.03 -2.05 0.01 -1.25 -3.51 114.94 104.80 1sij s ASN 514 Ca 0.01 -0.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1sij s ASN 514 Cb 0.09 -0.87 0.01 0.00 0.41 0.00 0.00 41.25 40.90 1sij s ASN 514 CO 0.59 -0.17 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.32 1sij s ILE 515 N 1.67 0.58 -0.15 0.60 1.01 -0.10 -0.74 121.20 124.08 1sij s ILE 515 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1sij s ILE 515 Cb -0.15 -0.56 0.03 0.00 0.01 0.00 0.00 42.46 41.79 1sij s ILE 515 CO -0.08 0.21 -0.07 -0.13 0.00 0.00 0.00 174.94 174.88 1sij s ARG 516 N 0.55 1.55 0.14 2.79 1.81 -0.89 -1.20 118.95 123.70 1sij s ARG 516 Ca -0.08 -0.43 -0.09 0.00 -1.72 0.00 0.00 55.73 53.41 1sij s ARG 516 Cb -0.11 -1.86 -0.00 0.00 -0.45 0.00 0.00 34.95 32.52 1sij s ARG 516 CO 0.00 -0.36 0.27 0.20 -0.68 0.00 0.00 175.30 174.74 1sij s GLY 517 N 1.65 0.34 -0.11 -3.53 0.00 -0.38 -2.36 107.32 102.93 1sij s GLY 517 Ca 0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 1sij s GLY 517 CO -0.08 -0.80 0.23 -2.27 0.00 0.00 0.00 173.10 170.18 1sij s LEU 518 N -2.93 0.05 -0.04 0.66 2.96 -0.18 -0.85 118.68 118.35 1sij s LEU 518 Ca 0.13 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1sij s LEU 518 Cb 0.04 0.62 -0.04 0.00 0.50 0.00 0.00 46.19 47.31 1sij s LEU 518 CO -0.03 -0.21 0.12 -0.83 -1.32 0.00 0.00 176.35 174.08 1sij s GLY 519 N 1.91 2.08 -0.03 7.98 0.00 0.18 -1.80 107.32 117.64 1sij s GLY 519 Ca -0.03 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 43.94 1sij s GLY 519 CO -0.08 -0.62 -0.11 0.50 0.00 0.00 0.00 173.10 172.79 1sij s ARG 520 N -1.55 1.22 -0.16 2.90 0.52 0.84 -0.62 118.95 122.10 1sij s ARG 520 Ca 0.21 -0.39 -0.08 0.00 -0.52 0.00 0.00 55.73 54.96 1sij s ARG 520 Cb -0.12 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.20 1sij s ARG 520 CO 0.12 0.14 0.09 0.99 0.02 0.00 0.00 175.30 176.66 1sij s THR 521 N 0.19 5.09 -0.03 0.02 2.01 0.30 0.21 115.64 123.43 1sij s THR 521 Ca -0.04 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1sij s THR 521 Cb -0.10 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1sij s THR 521 CO 0.01 0.51 -0.07 0.54 -0.69 0.00 0.00 174.62 174.92 1sij s VAL 522 N -0.08 0.63 0.10 3.82 0.11 -0.22 -1.43 120.40 123.33 1sij s VAL 522 Ca 0.08 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 1sij s VAL 522 Cb -0.12 -0.59 -0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1sij s VAL 522 CO 0.01 0.22 1.06 0.00 -3.33 0.00 0.00 175.10 173.05 1sij s ALA 523 N 0.39 3.30 0.42 1.54 0.00 0.27 -1.70 121.76 125.98 1sij s ALA 523 Ca -0.05 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1sij s ALA 523 Cb -0.10 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1sij s ALA 523 CO 0.00 -0.20 0.13 0.95 0.00 0.00 0.00 175.76 176.64 1sij s THR 524 N 0.32 0.59 -1.46 0.00 -4.23 -0.76 -4.83 115.64 105.28 1sij s THR 524 Ca 0.51 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.19 1sij s THR 524 Cb -0.26 -2.31 0.59 0.00 1.34 0.00 0.00 72.50 71.86 1sij s THR 524 CO 0.31 0.00 1.49 0.59 -0.54 0.00 0.00 174.62 176.47 1sij n ASN 525 N -1.36 3.87 -4.64 3.99 4.13 0.36 -0.98 115.26 120.63 1sij n ASN 525 Ca -0.07 -2.26 -0.25 0.00 1.68 0.00 0.00 54.58 53.68 1sij n ASN 525 Cb 0.65 -0.50 0.11 0.00 -1.54 0.00 0.00 39.78 38.50 1sij n ASN 525 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1sij s HIS 526 N -1.61 1.99 0.22 3.10 2.46 -1.25 -4.33 115.29 115.87 1sij s HIS 526 Ca 0.43 0.02 -0.31 0.00 0.47 0.00 0.00 55.06 55.67 1sij s HIS 526 Cb 0.26 -3.25 -0.15 0.00 -0.13 0.00 0.00 32.58 29.32 1sij s HIS 526 CO 0.23 -1.76 1.20 0.28 -2.47 0.00 0.00 174.74 172.22 1sij n VAL 527 N -3.00 1.15 -1.63 0.89 0.31 -1.26 -4.00 118.33 110.79 1sij n VAL 527 Ca 0.13 -0.29 -0.35 0.00 -0.01 0.00 0.00 64.34 63.82 1sij n VAL 527 Cb 0.60 -1.05 0.07 0.00 -0.91 0.00 0.00 33.84 32.55 1sij n VAL 527 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 1sij s TRP 528 N -0.35 2.20 -0.20 3.52 -2.14 -1.26 -3.73 118.94 116.98 1sij s TRP 528 Ca 0.69 1.57 -0.25 0.00 2.66 0.00 0.00 56.10 60.76 1sij s TRP 528 Cb -0.76 -3.46 -0.01 0.00 -3.10 0.00 0.00 33.47 26.14 1sij s TRP 528 CO 0.53 -2.43 0.84 0.20 -2.66 0.00 0.00 176.95 173.44 1sij s GLY 529 N -1.94 1.97 0.09 3.67 0.00 0.52 -1.61 107.32 110.01 1sij s GLY 529 Ca 0.75 -0.01 0.09 0.00 0.00 0.00 0.00 44.72 45.55 1sij s GLY 529 CO 0.41 1.75 -0.23 -0.56 0.00 0.00 0.00 173.10 174.47 1sij s SER 530 N 1.22 3.53 0.23 1.64 0.01 -0.67 -4.79 113.70 114.87 1sij s SER 530 Ca 0.37 -0.61 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 1sij s SER 530 Cb -0.16 -0.39 -0.16 0.00 0.21 0.00 0.00 66.02 65.52 1sij s SER 530 CO 0.10 0.21 0.79 0.00 0.41 0.00 0.00 173.24 174.75 1sij n ALA 531 N 1.16 -1.57 -3.78 1.44 0.00 -1.25 -3.84 120.51 112.67 1sij n ALA 531 Ca -0.17 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 1sij n ALA 531 Cb 0.53 -1.82 -0.17 0.00 0.00 0.00 0.00 19.45 17.98 1sij n ALA 531 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sij s PHE 532 N -0.95 1.36 0.00 0.00 2.19 -1.26 -2.80 117.98 116.51 1sij s PHE 532 Ca 0.63 -0.61 0.00 0.00 0.33 0.00 0.00 56.93 57.27 1sij s PHE 532 Cb -0.83 -1.12 0.00 0.00 -1.31 0.00 0.00 43.02 39.76 1sij s PHE 532 CO 0.58 -0.42 0.00 -2.13 1.83 0.00 0.00 175.22 175.07 1sij n ARG 533 N 4.65 0.00 0.00 10.12 0.63 -0.46 0.40 116.66 132.00 1sij n ARG 533 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1sij n ARG 533 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1sij n ARG 533 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sij n GLY 534 N 0.00 2.50 3.26 5.14 0.00 -1.26 -4.88 105.19 109.94 1sij n GLY 534 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1sij n GLY 534 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1sij n TYR 535 N 0.00 -2.01 0.00 1.61 -0.00 0.16 -1.20 117.16 115.72 1sij n TYR 535 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.90 58.74 1sij n TYR 535 Cb 0.00 -1.73 0.00 0.00 -0.00 0.00 0.00 39.34 37.61 1sij n TYR 535 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1sij n GLY 536 N -0.62 2.90 0.17 2.98 0.00 -1.26 -4.90 105.19 104.46 1sij n GLY 536 Ca -0.15 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1sij n GLY 536 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij h ALA 537 N 0.00 -0.34 -0.83 4.61 0.00 -1.48 -0.85 119.26 120.36 1sij h ALA 537 Ca 0.00 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1sij h ALA 537 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1sij h ALA 537 CO 0.00 -0.63 0.55 -1.35 0.00 0.00 0.00 179.25 177.81 1sij h PRO 538 N -0.46 0.49 0.23 0.00 0.11 -1.73 0.43 132.00 131.07 1sij h PRO 538 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1sij h PRO 538 Cb 0.35 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1sij h PRO 538 CO 0.06 0.33 -0.11 1.96 -0.21 0.00 0.00 178.00 180.02 1sij h GLN 539 N 0.51 -0.30 0.21 1.05 7.50 -1.84 -2.99 115.11 119.25 1sij h GLN 539 Ca 0.42 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.58 1sij h GLN 539 Cb 0.86 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.46 1sij h GLN 539 CO -0.16 0.03 -0.14 0.77 -1.50 0.00 0.00 178.83 177.83 1sij h SER 540 N -0.96 -0.36 1.62 1.46 0.02 -0.20 -2.87 113.55 112.27 1sij h SER 540 Ca -0.03 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1sij h SER 540 Cb 0.47 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1sij h SER 540 CO 0.05 -0.23 -0.20 0.24 -1.14 0.00 0.00 176.83 175.56 1sij h MET 541 N -0.35 0.00 -0.71 3.45 2.86 -0.36 -1.99 114.93 117.83 1sij h MET 541 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1sij h MET 541 Cb 0.30 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1sij h MET 541 CO 0.01 0.20 0.46 0.35 1.06 0.00 0.00 176.91 178.99 1sij h PHE 542 N 0.00 0.91 -0.02 -0.22 3.57 -1.36 0.71 116.94 120.52 1sij h PHE 542 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1sij h PHE 542 Cb 1.06 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1sij h PHE 542 CO 0.00 0.58 -0.02 0.00 -2.23 0.00 0.00 178.31 176.64 1sij h ALA 543 N 1.25 0.03 -0.00 2.41 0.00 -1.23 -2.50 119.26 119.22 1sij h ALA 543 Ca 0.26 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1sij h ALA 543 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1sij h ALA 543 CO -0.05 -0.21 -0.76 0.66 0.00 0.00 0.00 179.25 178.89 1sij h SER 544 N -0.42 0.03 1.26 0.00 4.64 -1.35 -1.71 113.55 116.00 1sij h SER 544 Ca 0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1sij h SER 544 Cb 0.51 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1sij h SER 544 CO 0.00 0.77 -0.76 -0.33 -0.87 0.00 0.00 176.83 175.65 1sij h GLU 545 N 0.01 0.00 0.01 4.77 4.39 -0.93 -1.09 114.58 121.73 1sij h GLU 545 Ca -0.01 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.44 1sij h GLU 545 Cb 1.34 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1sij h GLU 545 CO 0.10 0.61 -0.99 0.00 -1.16 0.00 0.00 179.01 177.57 1sij h LEU 547 N 0.32 0.10 -1.19 0.00 5.85 -1.29 -1.85 115.31 117.25 1sij h LEU 547 Ca -0.13 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1sij h LEU 547 Cb 1.66 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 1sij h LEU 547 CO 0.20 0.33 0.29 0.24 -0.34 0.00 0.00 178.44 179.16 1sij h MET 548 N 0.10 0.86 -0.01 1.25 2.86 -1.22 0.15 114.93 118.91 1sij h MET 548 Ca 0.02 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.40 1sij h MET 548 Cb 0.45 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1sij h MET 548 CO 0.03 0.66 -0.68 -0.44 1.06 0.00 0.00 176.91 177.55 1sij h ASP 549 N 0.86 0.07 -0.30 1.22 3.45 -1.37 -1.64 116.42 118.71 1sij h ASP 549 Ca 0.21 -0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.52 1sij h ASP 549 Cb 0.09 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1sij h ASP 549 CO -0.03 0.72 -0.21 0.24 -1.57 0.00 0.00 179.24 178.39 1sij h MET 550 N 0.04 0.68 -0.58 3.56 2.86 -0.88 -1.69 114.93 118.92 1sij h MET 550 Ca -0.01 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1sij h MET 550 Cb 1.20 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1sij h MET 550 CO 0.09 0.93 0.37 1.25 1.06 0.00 0.00 176.91 180.61 1sij h LEU 551 N 0.43 0.63 -0.39 1.22 5.85 -0.90 -1.69 115.31 120.46 1sij h LEU 551 Ca 0.06 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1sij h LEU 551 Cb 0.76 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1sij h LEU 551 CO 0.06 0.45 0.24 0.00 -0.34 0.00 0.00 178.44 178.85 1sij h ALA 552 N 1.23 0.49 -0.85 1.25 0.00 -1.23 -1.02 119.26 119.13 1sij h ALA 552 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sij h ALA 552 Cb -0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1sij h ALA 552 CO -0.07 -0.08 0.51 1.49 0.00 0.00 0.00 179.25 181.11 1sij h GLU 553 N 0.49 1.16 -0.13 0.00 4.81 -1.10 0.75 114.58 120.57 1sij h GLU 553 Ca 0.15 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1sij h GLU 553 Cb -0.02 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1sij h GLU 553 CO -0.05 0.81 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.48 1sij h LYS 554 N 1.17 0.25 0.00 1.92 3.64 -1.05 -2.92 116.57 119.59 1sij h LYS 554 Ca 0.31 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1sij h LYS 554 Cb -0.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1sij h LYS 554 CO -0.06 0.57 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.55 1sij h LEU 555 N 0.22 0.00 0.04 5.20 3.38 -0.68 -3.47 115.31 120.00 1sij h LEU 555 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sij h LEU 555 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sij h LEU 555 CO 0.05 0.05 -0.01 0.61 0.09 0.00 0.00 178.44 179.24 1sij n GLY 556 N 1.11 0.37 3.54 0.83 0.00 -0.33 -5.06 105.19 105.65 1sij n GLY 556 Ca 0.04 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1sij n GLY 556 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sij s MET 557 N -3.65 2.21 0.18 1.61 0.00 0.11 -5.03 119.30 114.73 1sij s MET 557 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 55.69 54.44 1sij s MET 557 Cb 0.00 -2.31 -0.11 0.00 0.00 0.00 0.00 34.83 32.41 1sij s MET 557 CO 0.00 0.54 1.77 0.34 0.00 0.00 0.00 175.02 177.67 1sij s ASP 558 N -1.73 6.40 0.34 1.11 2.15 -1.26 -4.30 116.67 119.37 1sij s ASP 558 Ca 0.18 2.83 0.05 0.00 0.43 0.00 0.00 52.55 56.04 1sij s ASP 558 Cb -0.11 -2.59 0.70 0.00 -0.30 0.00 0.00 42.92 40.62 1sij s ASP 558 CO 0.09 -0.99 1.92 1.55 -0.17 0.00 0.00 175.17 177.57 1sij h PRO 559 N 7.50 0.80 -0.40 4.34 0.13 -1.93 -0.28 132.00 142.16 1sij h PRO 559 Ca -0.44 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1sij h PRO 559 Cb 1.21 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1sij h PRO 559 CO 0.95 0.53 -0.10 1.25 -0.23 0.00 0.00 178.00 180.40 1sij h LEU 560 N 0.82 0.79 -1.03 1.56 5.85 -1.96 -2.81 115.31 118.52 1sij h LEU 560 Ca 0.37 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1sij h LEU 560 Cb 0.37 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1sij h LEU 560 CO -0.15 0.97 0.15 -0.08 -0.34 0.00 0.00 178.44 179.00 1sij h GLU 561 N 0.59 0.85 -0.64 1.25 4.81 -1.70 -0.41 114.58 119.32 1sij h GLU 561 Ca 0.10 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1sij h GLU 561 Cb 0.63 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1sij h GLU 561 CO 0.04 0.75 0.17 1.25 -0.73 0.00 0.00 179.01 180.49 1sij h LEU 562 N 0.82 0.93 -0.38 1.64 5.85 -1.03 -1.82 115.31 121.32 1sij h LEU 562 Ca 0.18 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1sij h LEU 562 Cb 0.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1sij h LEU 562 CO -0.00 0.89 -0.15 0.03 -0.34 0.00 0.00 178.44 178.87 1sij h ARG 563 N 0.95 0.78 -0.92 1.25 3.08 -1.19 -2.92 114.38 115.41 1sij h ARG 563 Ca 0.21 -0.32 0.09 0.00 0.07 0.00 0.00 59.98 60.02 1sij h ARG 563 Cb 0.32 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 1sij h ARG 563 CO -0.00 0.94 0.59 -0.92 -1.07 0.00 0.00 179.97 179.51 1sij h TYR 564 N 0.58 1.02 -0.69 3.04 3.20 -0.75 -0.37 116.97 123.01 1sij h TYR 564 Ca 0.09 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1sij h TYR 564 Cb 0.69 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1sij h TYR 564 CO 0.05 0.49 0.14 -0.22 -1.64 0.00 0.00 178.16 176.98 1sij h LYS 565 N 0.97 1.13 0.00 1.82 1.63 -1.20 -3.32 116.57 117.59 1sij h LYS 565 Ca 0.42 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1sij h LYS 565 Cb 0.33 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1sij h LYS 565 CO -0.18 1.01 -1.00 0.09 -3.45 0.00 0.00 179.45 175.93 1sij n ASN 566 N -4.22 0.85 -4.73 4.20 3.02 -0.84 -5.00 115.26 108.54 1sij n ASN 566 Ca 0.05 -0.84 -0.39 0.00 -0.03 0.00 0.00 54.58 53.37 1sij n ASN 566 Cb 0.28 1.10 0.04 0.00 -0.61 0.00 0.00 39.78 40.59 1sij n ASN 566 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sij n ALA 567 N -1.53 1.54 -1.64 5.41 0.00 -0.21 -1.36 120.51 122.72 1sij n ALA 567 Ca 0.03 0.15 -0.59 0.00 0.00 0.00 0.00 53.44 53.03 1sij n ALA 567 Cb 0.32 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.35 1sij n ALA 567 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sij n TYR 568 N -0.87 1.54 -4.15 0.00 4.01 -0.82 -4.72 117.16 112.15 1sij n TYR 568 Ca 0.09 0.82 -0.12 0.00 -0.16 0.00 0.00 57.90 58.53 1sij n TYR 568 Cb 0.44 -2.29 -0.10 0.00 -0.31 0.00 0.00 39.34 37.07 1sij n TYR 568 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sij s ARG 569 N 1.87 0.78 -0.01 -0.72 0.52 -1.26 -4.66 118.95 115.47 1sij s ARG 569 Ca 0.95 -1.18 -0.38 0.00 -0.52 0.00 0.00 55.73 54.60 1sij s ARG 569 Cb -1.18 -0.31 -0.17 0.00 0.52 0.00 0.00 34.95 33.81 1sij s ARG 569 CO 0.63 0.02 1.38 -2.30 0.02 0.00 0.00 175.30 175.05 1sij n PRO 570 N 0.40 0.93 0.00 3.54 -0.02 -1.26 -1.43 135.00 137.16 1sij n PRO 570 Ca -0.15 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1sij n PRO 570 Cb 0.59 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1sij n PRO 570 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sij n GLY 571 N 2.72 2.60 3.86 -1.23 0.00 -1.26 -5.09 105.19 106.80 1sij n GLY 571 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1sij n GLY 571 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sij s ASP 572 N -0.84 6.15 0.15 1.61 -0.00 -0.51 -5.08 116.67 118.15 1sij s ASP 572 Ca 0.00 1.44 0.09 0.00 -0.00 0.00 0.00 52.55 54.09 1sij s ASP 572 Cb 0.00 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.92 40.41 1sij s ASP 572 CO 0.00 -0.93 -0.21 0.42 -0.00 0.00 0.00 175.17 174.46 1sij s THR 573 N -3.16 1.93 1.05 -1.27 -4.23 -1.26 -4.33 115.64 104.37 1sij s THR 573 Ca 0.55 -1.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.06 1sij s THR 573 Cb -0.11 -1.84 0.22 0.00 1.34 0.00 0.00 72.50 72.11 1sij s THR 573 CO 0.54 -0.18 1.20 0.54 -0.54 0.00 0.00 174.62 176.17 1sij s ASN 574 N -2.43 2.32 0.53 3.99 2.20 0.83 -4.37 114.94 118.00 1sij s ASN 574 Ca 0.14 0.55 0.22 0.00 -0.94 0.00 0.00 52.86 52.83 1sij s ASN 574 Cb -0.08 -0.78 1.37 0.00 -2.00 0.00 0.00 41.25 39.77 1sij s ASN 574 CO 0.07 -3.25 2.06 -0.65 -2.94 0.00 0.00 177.10 172.38 1sij h PRO 575 N -1.99 0.00 -0.37 3.55 0.11 -1.87 0.03 132.00 131.45 1sij h PRO 575 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sij h PRO 575 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sij h PRO 575 CO 0.41 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.45 1sij n THR 576 N -4.40 0.49 -0.72 -1.15 -2.24 -1.26 -4.84 114.28 100.17 1sij n THR 576 Ca 0.04 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1sij n THR 576 Cb 0.40 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1sij n THR 576 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 577 N 0.87 0.60 3.85 3.38 0.00 -0.00 -0.98 105.19 112.91 1sij n GLY 577 Ca 0.10 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1sij n GLY 577 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sij s GLN 578 N -0.78 3.31 0.11 1.61 0.74 -1.25 -4.81 119.66 118.59 1sij s GLN 578 Ca 0.00 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.76 1sij s GLN 578 Cb 0.00 -3.03 -0.06 0.00 1.10 0.00 0.00 33.01 31.02 1sij s GLN 578 CO 0.00 0.68 1.16 -1.21 -0.55 0.00 0.00 175.29 175.37 1sij s GLU 579 N -1.70 4.49 0.55 1.67 2.02 -1.26 -0.12 118.70 124.36 1sij s GLU 579 Ca 0.23 1.75 -0.20 0.00 0.02 0.00 0.00 54.97 56.77 1sij s GLU 579 Cb -0.12 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.73 1sij s GLU 579 CO 0.14 -0.13 1.05 -2.30 0.02 0.00 0.00 175.26 174.05 1sij n PRO 580 N 3.29 1.16 0.01 0.39 -0.02 -1.26 -4.93 135.00 133.64 1sij n PRO 580 Ca 0.06 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 1sij n PRO 580 Cb 0.46 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 1sij n PRO 580 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1sij h GLU 581 N 0.91 0.00 -5.01 -0.52 9.09 -1.96 -3.46 114.58 113.64 1sij h GLU 581 Ca -0.48 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 58.56 1sij h GLU 581 Cb 1.35 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.30 1sij h GLU 581 CO 0.53 0.48 -0.64 0.14 0.05 0.00 0.00 179.01 179.57 1sij s VAL 582 N -2.72 0.88 -0.47 -1.06 -7.23 -1.26 -4.83 120.40 103.70 1sij s VAL 582 Ca -0.03 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1sij s VAL 582 Cb 0.08 -2.42 0.16 0.00 0.56 0.00 0.00 36.38 34.76 1sij s VAL 582 CO 0.82 -0.25 0.33 -0.36 -0.31 0.00 0.00 175.10 175.33 1sij s PHE 583 N -3.53 1.80 -0.77 2.82 0.08 -1.26 -4.94 117.98 112.18 1sij s PHE 583 Ca 0.31 -2.48 0.07 0.00 0.12 0.00 0.00 56.93 54.95 1sij s PHE 583 Cb 0.06 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1sij s PHE 583 CO 0.10 -0.76 0.61 -1.13 -0.10 0.00 0.00 175.22 173.94 1sij n SER 584 N 2.99 1.25 -0.02 1.36 3.41 -1.26 -4.74 113.62 116.60 1sij n SER 584 Ca 0.20 -1.12 -0.13 0.00 -0.26 0.00 0.00 58.87 57.56 1sij n SER 584 Cb 0.40 0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 64.57 1sij n SER 584 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sij h LEU 585 N 1.06 0.12 -0.90 1.04 3.38 -1.92 -1.39 115.31 116.70 1sij h LEU 585 Ca 0.00 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.68 1sij h LEU 585 Cb 0.27 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 1sij h LEU 585 CO 0.00 0.52 0.52 -0.65 0.09 0.00 0.00 178.44 178.92 1sij h PRO 586 N -0.27 0.75 -0.39 1.13 0.11 -1.85 0.56 132.00 132.04 1sij h PRO 586 Ca 0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1sij h PRO 586 Cb 0.48 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1sij h PRO 586 CO 0.01 0.50 0.22 0.22 -0.21 0.00 0.00 178.00 178.74 1sij h ASP 587 N 0.78 0.48 -0.43 -2.05 1.82 -1.82 -1.08 116.42 114.12 1sij h ASP 587 Ca 0.47 -0.07 -0.10 0.00 -0.39 0.00 0.00 57.03 56.94 1sij h ASP 587 Cb 0.57 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1sij h ASP 587 CO -0.31 0.41 -0.11 0.24 -1.61 0.00 0.00 179.24 177.86 1sij h MET 588 N 0.51 0.83 0.03 0.28 2.86 -0.77 -2.36 114.93 116.30 1sij h MET 588 Ca 0.14 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1sij h MET 588 Cb 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1sij h MET 588 CO -0.02 0.95 -0.02 0.82 1.06 0.00 0.00 176.91 179.70 1sij h ILE 589 N 0.65 1.01 -0.87 -1.22 2.04 -0.81 -1.29 117.51 117.02 1sij h ILE 589 Ca 0.11 -0.13 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1sij h ILE 589 Cb 0.64 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.73 1sij h ILE 589 CO 0.04 0.03 0.48 0.44 0.00 0.00 0.00 178.15 179.15 1sij h ASP 590 N -0.10 0.64 1.24 1.72 3.45 -1.16 0.13 116.42 122.34 1sij h ASP 590 Ca -0.00 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 1sij h ASP 590 Cb 0.09 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1sij h ASP 590 CO 0.01 0.30 -0.38 1.56 -1.57 0.00 0.00 179.24 179.16 1sij h GLN 591 N 0.72 0.00 0.00 3.56 4.20 -1.26 -3.19 115.11 119.14 1sij h GLN 591 Ca 0.46 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.93 1sij h GLN 591 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1sij h GLN 591 CO -0.32 0.38 -1.27 1.25 -0.67 0.00 0.00 178.83 178.20 1sij h LEU 592 N 0.00 0.01 -0.69 1.46 5.85 -0.18 -3.42 115.31 118.33 1sij h LEU 592 Ca -0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1sij h LEU 592 Cb 1.10 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 1sij h LEU 592 CO 0.05 1.01 -0.51 -0.09 -0.34 0.00 0.00 178.44 178.55 1sij h ARG 593 N 0.00 -0.18 -0.84 1.25 2.43 -0.78 0.08 114.38 116.34 1sij h ARG 593 Ca -0.11 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1sij h ARG 593 Cb 1.86 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 31.41 1sij h ARG 593 CO 0.11 -0.12 0.55 -1.00 -1.51 0.00 0.00 179.97 178.00 1sij h PRO 594 N -0.19 1.03 -0.63 0.20 0.13 -1.80 0.92 132.00 131.66 1sij h PRO 594 Ca 0.16 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1sij h PRO 594 Cb 0.53 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.40 1sij h PRO 594 CO -0.77 0.68 0.27 0.87 -0.23 0.00 0.00 178.00 178.83 1sij h LYS 595 N 1.06 0.91 -0.20 0.86 1.57 -1.35 -0.71 116.57 118.71 1sij h LYS 595 Ca 0.33 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1sij h LYS 595 Cb -0.01 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1sij h LYS 595 CO -0.09 0.73 -0.17 -0.92 -0.57 0.00 0.00 179.45 178.43 1sij h TYR 596 N 0.90 0.56 -0.49 -1.35 5.03 -0.13 -1.61 116.97 119.89 1sij h TYR 596 Ca 0.22 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1sij h TYR 596 Cb 0.15 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1sij h TYR 596 CO 0.01 0.81 0.30 1.96 -1.32 0.00 0.00 178.16 179.93 1sij h GLN 597 N 0.15 0.65 -0.20 1.82 1.08 -0.69 -0.77 115.11 117.15 1sij h GLN 597 Ca 0.04 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1sij h GLN 597 Cb 0.70 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1sij h GLN 597 CO 0.04 0.46 0.02 0.00 -0.95 0.00 0.00 178.83 178.40 1sij h ALA 598 N 1.15 1.66 -0.05 3.87 0.00 -1.13 -1.56 119.26 123.20 1sij h ALA 598 Ca 0.18 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1sij h ALA 598 Cb -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sij h ALA 598 CO -0.03 0.26 -0.95 0.00 0.00 0.00 0.00 179.25 178.52 1sij h ALA 599 N 1.74 0.20 -0.50 0.00 0.00 -0.88 -2.21 119.26 117.62 1sij h ALA 599 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.35 1sij h ALA 599 Cb 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1sij h ALA 599 CO 0.00 0.69 0.26 -0.07 0.00 0.00 0.00 179.25 180.14 1sij h LEU 600 N 0.44 0.39 -0.12 0.00 3.38 -0.80 -0.19 115.31 118.40 1sij h LEU 600 Ca -0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sij h LEU 600 Cb 1.60 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1sij h LEU 600 CO 0.19 0.27 0.06 -0.33 0.09 0.00 0.00 178.44 178.72 1sij h GLU 601 N 0.52 0.17 -0.39 1.13 5.08 -1.29 -1.78 114.58 118.02 1sij h GLU 601 Ca 0.22 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1sij h GLU 601 Cb 0.11 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1sij h GLU 601 CO -0.14 0.23 0.15 -0.22 -1.00 0.00 0.00 179.01 178.03 1sij h LYS 602 N 0.07 0.30 -0.64 2.33 3.64 -1.31 -1.63 116.57 119.34 1sij h LYS 602 Ca 0.04 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1sij h LYS 602 Cb 0.12 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1sij h LYS 602 CO -0.01 0.20 0.37 0.00 -2.27 0.00 0.00 179.45 177.74 1sij h ALA 603 N 1.25 0.85 -0.16 5.00 0.00 -0.73 0.14 119.26 125.60 1sij h ALA 603 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1sij h ALA 603 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sij h ALA 603 CO -0.17 0.07 -0.12 0.37 0.00 0.00 0.00 179.25 179.40 1sij h GLN 604 N 0.70 0.36 -0.71 0.00 4.15 -1.17 -2.15 115.11 116.29 1sij h GLN 604 Ca 0.28 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1sij h GLN 604 Cb 0.12 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1sij h GLN 604 CO -0.15 0.71 0.35 -0.22 -1.93 0.00 0.00 178.83 177.59 1sij h LYS 605 N 0.01 1.02 -0.01 1.69 3.64 -1.05 -3.20 116.57 118.67 1sij h LYS 605 Ca 0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1sij h LYS 605 Cb 0.62 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sij h LYS 605 CO 0.03 0.79 -0.34 0.39 -2.27 0.00 0.00 179.45 178.05 1sij n GLU 606 N -4.44 0.93 -1.95 1.90 1.02 0.46 -4.90 120.64 113.66 1sij n GLU 606 Ca 0.06 -0.64 -0.40 0.00 -0.02 0.00 0.00 57.16 56.16 1sij n GLU 606 Cb 0.12 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1sij n GLU 606 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1sij s SER 607 N -2.51 6.33 0.20 1.62 0.01 -0.81 -4.90 113.70 113.64 1sij s SER 607 Ca 0.22 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.31 1sij s SER 607 Cb 0.19 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1sij s SER 607 CO 0.54 -0.86 0.04 0.35 0.41 0.00 0.00 173.24 173.72 1sij n THR 608 N 0.29 0.00 0.15 1.44 -2.24 -0.65 -5.01 114.28 108.27 1sij n THR 608 Ca 0.02 -0.88 0.02 0.00 -2.27 0.00 0.00 64.05 60.94 1sij n THR 608 Cb 0.42 0.05 0.19 0.00 -2.10 0.00 0.00 70.33 68.88 1sij n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sij h ALA 609 N 1.00 0.85 0.00 6.98 0.00 -2.01 -3.32 119.26 122.76 1sij h ALA 609 Ca -0.15 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.11 1sij h ALA 609 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1sij h ALA 609 CO 0.25 0.67 -2.01 0.25 0.00 0.00 0.00 179.25 178.41 1sij n THR 610 N -3.52 0.62 -3.92 0.00 -2.24 -1.26 -4.85 114.28 99.10 1sij n THR 610 Ca -0.00 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 1sij n THR 610 Cb 0.63 -0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.46 1sij n THR 610 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1sij s HIS 611 N -2.82 3.08 -0.15 4.78 4.02 -1.25 -1.41 115.29 121.54 1sij s HIS 611 Ca -0.08 -2.68 -0.16 0.00 1.02 0.00 0.00 55.06 53.17 1sij s HIS 611 Cb 0.08 -2.55 -0.04 0.00 -1.02 0.00 0.00 32.58 29.05 1sij s HIS 611 CO 0.73 -0.90 0.38 0.15 1.02 0.00 0.00 174.74 176.11 1sij s LYS 612 N 0.91 4.28 -0.01 1.40 1.02 0.39 -1.63 119.74 126.09 1sij s LYS 612 Ca 0.12 0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.33 1sij s LYS 612 Cb -0.20 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1sij s LYS 612 CO -0.11 0.16 0.12 0.15 -0.92 0.00 0.00 175.35 174.75 1sij s LYS 613 N 0.67 3.20 0.14 1.68 1.02 -1.26 0.36 119.74 125.56 1sij s LYS 613 Ca 0.20 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 1sij s LYS 613 Cb -0.14 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 1sij s LYS 613 CO 0.07 0.66 0.24 0.20 -0.92 0.00 0.00 175.35 175.60 1sij s GLY 614 N -1.79 0.42 -0.06 -3.33 0.00 -0.24 -4.19 107.32 98.13 1sij s GLY 614 Ca 0.24 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1sij s GLY 614 CO 0.15 -0.87 -0.07 0.14 0.00 0.00 0.00 173.10 172.46 1sij s VAL 615 N -3.95 0.76 0.08 1.40 1.01 -1.26 -1.71 120.40 116.74 1sij s VAL 615 Ca 0.15 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1sij s VAL 615 Cb 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1sij s VAL 615 CO -0.03 0.28 -0.22 -0.83 0.00 0.00 0.00 175.10 174.31 1sij s GLY 616 N 1.04 1.24 0.01 4.51 0.00 -0.50 -4.32 107.32 109.30 1sij s GLY 616 Ca -0.09 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.50 1sij s GLY 616 CO -0.00 -1.16 -0.19 -0.42 0.00 0.00 0.00 173.10 171.33 1sij s ILE 617 N -0.99 1.50 0.12 0.90 -1.09 -1.26 -0.91 121.20 119.47 1sij s ILE 617 Ca 0.08 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.45 1sij s ILE 617 Cb -0.10 -1.28 -0.00 0.00 -1.58 0.00 0.00 42.46 39.50 1sij s ILE 617 CO 0.03 0.30 0.24 -0.94 -1.23 0.00 0.00 174.94 173.35 1sij s SER 618 N -0.77 0.06 0.08 3.58 1.04 -0.95 -4.45 113.70 112.30 1sij s SER 618 Ca 0.07 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.81 1sij s SER 618 Cb -0.08 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1sij s SER 618 CO 0.00 -0.81 0.01 -0.63 0.98 0.00 0.00 173.24 172.80 1sij s ILE 619 N -3.90 4.09 -0.04 -1.02 1.01 -1.26 0.04 121.20 120.12 1sij s ILE 619 Ca 0.10 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1sij s ILE 619 Cb 0.04 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1sij s ILE 619 CO -0.06 0.15 -0.16 -0.83 0.00 0.00 0.00 174.94 174.04 1sij s GLY 620 N -2.23 0.84 -0.01 6.18 0.00 0.04 -4.61 107.32 107.52 1sij s GLY 620 Ca 0.25 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1sij s GLY 620 CO 0.18 -0.30 -0.05 0.14 0.00 0.00 0.00 173.10 173.07 1sij s VAL 621 N 0.06 0.41 0.02 1.40 1.01 -1.26 -1.44 120.40 120.60 1sij s VAL 621 Ca -0.04 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 1sij s VAL 621 Cb -0.11 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1sij s VAL 621 CO 0.02 0.14 0.45 -0.47 0.00 0.00 0.00 175.10 175.24 1sij s TYR 622 N 0.19 -0.33 0.49 5.22 6.14 -0.94 -4.96 117.35 123.16 1sij s TYR 622 Ca -0.02 0.41 -0.18 0.00 0.64 0.00 0.00 57.07 57.92 1sij s TYR 622 Cb -0.06 0.24 -0.09 0.00 0.42 0.00 0.00 41.96 42.48 1sij s TYR 622 CO -0.00 -0.55 0.99 0.20 0.64 0.00 0.00 175.55 176.82 1sij s GLY 623 N -1.73 2.21 -0.38 8.97 0.00 -1.26 0.10 107.32 115.24 1sij s GLY 623 Ca -0.08 0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 1sij s GLY 623 CO 0.01 0.59 0.16 -0.56 0.00 0.00 0.00 173.10 173.31 1sij s SER 624 N -2.67 5.26 0.00 1.64 0.01 0.43 -4.53 113.70 113.85 1sij s SER 624 Ca 0.61 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1sij s SER 624 Cb -0.11 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1sij s SER 624 CO 0.25 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1sij n GLY 625 N 4.69 3.80 3.91 3.44 0.00 -0.31 -4.41 105.19 116.31 1sij n GLY 625 Ca -0.07 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1sij n GLY 625 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sij s LEU 626 N 0.00 3.55 0.28 0.99 1.43 -1.26 -4.70 118.68 118.97 1sij s LEU 626 Ca 0.00 0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1sij s LEU 626 Cb 0.00 -3.88 -0.12 0.00 0.03 0.00 0.00 46.19 42.23 1sij s LEU 626 CO 0.00 -0.66 1.61 0.47 0.23 0.00 0.00 176.35 177.99 1sij n ASP 627 N -2.34 3.85 0.00 2.29 8.00 -1.26 -4.43 116.55 122.67 1sij n ASP 627 Ca 0.01 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1sij n ASP 627 Cb 0.55 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 1sij n ASP 627 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sij n GLY 628 N 2.35 -1.70 2.69 0.44 0.00 -0.60 -4.56 105.19 103.81 1sij n GLY 628 Ca 0.09 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1sij n GLY 628 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sij n PRO 629 N 0.00 2.84 -1.43 1.61 -0.04 -1.25 -4.71 135.00 132.02 1sij n PRO 629 Ca 0.00 -2.41 -0.36 0.00 -0.04 0.00 0.00 63.50 60.69 1sij n PRO 629 Cb 0.00 -3.14 0.09 0.00 -0.04 0.00 0.00 33.50 30.41 1sij n PRO 629 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sij n ASP 630 N 5.73 0.97 -3.79 3.54 4.64 -1.26 -4.58 116.55 121.80 1sij n ASP 630 Ca 0.56 0.70 -0.11 0.00 -1.38 0.00 0.00 54.79 54.57 1sij n ASP 630 Cb 0.35 -1.46 -0.08 0.00 -1.04 0.00 0.00 41.12 38.90 1sij n ASP 630 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sij s ALA 631 N -1.74 -0.55 0.17 -1.67 0.00 -1.26 -0.55 121.76 116.15 1sij s ALA 631 Ca 0.76 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 1sij s ALA 631 Cb -0.35 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1sij s ALA 631 CO 0.48 -0.41 0.06 0.45 0.00 0.00 0.00 175.76 176.34 1sij s SER 632 N -2.14 0.58 -0.01 0.00 0.15 -0.58 -4.65 113.70 107.05 1sij s SER 632 Ca -0.04 -1.25 -0.01 0.00 0.70 0.00 0.00 55.95 55.35 1sij s SER 632 Cb -0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1sij s SER 632 CO -0.04 -0.71 0.03 -0.70 1.20 0.00 0.00 173.24 173.01 1sij s GLU 633 N -4.04 0.08 0.03 5.44 2.12 -1.25 -1.91 118.70 119.17 1sij s GLU 633 Ca 0.28 -0.04 -0.00 0.00 0.36 0.00 0.00 54.97 55.56 1sij s GLU 633 Cb 0.07 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 1sij s GLU 633 CO 0.05 -0.01 -0.03 0.00 -0.54 0.00 0.00 175.26 174.74 1sij s ALA 634 N -0.19 0.24 -0.15 6.30 0.00 -0.44 -4.20 121.76 123.33 1sij s ALA 634 Ca -0.02 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1sij s ALA 634 Cb -0.02 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1sij s ALA 634 CO -0.00 -0.23 -0.21 -1.58 0.00 0.00 0.00 175.76 173.74 1sij s TRP 635 N -2.30 2.61 -0.28 0.00 0.51 -0.61 -0.97 118.94 117.90 1sij s TRP 635 Ca -0.08 -1.37 -0.10 0.00 -2.12 0.00 0.00 56.10 52.42 1sij s TRP 635 Cb -0.04 -1.79 -0.04 0.00 -0.81 0.00 0.00 33.47 30.79 1sij s TRP 635 CO -0.04 -0.65 0.16 0.00 -0.51 0.00 0.00 176.95 175.91 1sij s ALA 636 N 0.97 3.41 -0.13 0.98 0.00 0.61 -0.58 121.76 127.01 1sij s ALA 636 Ca -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1sij s ALA 636 Cb -0.15 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1sij s ALA 636 CO -0.05 -0.61 -0.15 -2.00 0.00 0.00 0.00 175.76 172.94 1sij s GLU 637 N 1.70 2.31 -0.13 0.00 2.12 -0.38 -0.48 118.70 123.85 1sij s GLU 637 Ca 0.06 -0.58 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 1sij s GLU 637 Cb -0.16 -2.03 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1sij s GLU 637 CO 0.09 -0.14 1.00 -1.17 -0.54 0.00 0.00 175.26 174.49 1sij s LEU 638 N 1.21 4.21 0.48 2.70 2.96 -0.33 -1.03 118.68 128.88 1sij s LEU 638 Ca -0.01 1.48 0.05 0.00 -0.22 0.00 0.00 54.13 55.42 1sij s LEU 638 Cb -0.14 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.04 1sij s LEU 638 CO -0.06 -0.48 0.66 0.20 -1.32 0.00 0.00 176.35 175.35 1sij s ASN 639 N 1.12 5.51 0.27 3.68 -0.87 0.50 -4.82 114.94 120.33 1sij s ASN 639 Ca 0.47 -0.20 -0.02 0.00 -1.57 0.00 0.00 52.86 51.54 1sij s ASN 639 Cb -0.18 -0.82 0.41 0.00 -0.02 0.00 0.00 41.25 40.64 1sij s ASN 639 CO 0.15 -0.91 1.89 0.00 -2.57 0.00 0.00 177.10 175.66 1sij h ALA 640 N 0.39 1.40 0.00 0.60 0.00 -1.97 -1.97 119.26 117.70 1sij h ALA 640 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sij h ALA 640 Cb 1.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1sij h ALA 640 CO 0.49 0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.80 1sij n ASP 641 N -4.49 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 111.63 1sij n ASP 641 Ca 0.15 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1sij n ASP 641 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1sij n ASP 641 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sij n GLY 642 N 0.59 0.85 3.91 6.12 0.00 -0.74 -5.05 105.19 110.87 1sij n GLY 642 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1sij n GLY 642 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sij s THR 643 N -3.36 2.67 -0.10 2.61 -4.23 -1.26 -4.84 115.64 107.14 1sij s THR 643 Ca 0.00 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1sij s THR 643 Cb 0.00 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.68 1sij s THR 643 CO 0.00 -0.21 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.12 1sij s ILE 644 N -3.33 1.26 -0.19 2.99 1.01 -0.45 -0.37 121.20 122.12 1sij s ILE 644 Ca 0.59 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1sij s ILE 644 Cb -0.11 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1sij s ILE 644 CO 0.48 0.39 0.17 -0.89 0.00 0.00 0.00 174.94 175.09 1sij s THR 645 N 1.08 5.39 -0.44 2.92 2.01 -0.20 -0.48 115.64 125.91 1sij s THR 645 Ca -0.06 0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1sij s THR 645 Cb -0.15 -3.51 0.08 0.00 0.01 0.00 0.00 72.50 68.94 1sij s THR 645 CO -0.02 0.42 0.32 -0.69 -0.69 0.00 0.00 174.62 173.96 1sij s VAL 646 N 0.41 4.56 -0.23 3.82 1.01 0.38 -1.25 120.40 129.10 1sij s VAL 646 Ca 0.10 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 1sij s VAL 646 Cb -0.11 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1sij s VAL 646 CO -0.01 -0.57 0.91 -1.00 0.00 0.00 0.00 175.10 174.44 1sij s HIS 647 N 1.49 3.33 0.15 5.22 3.76 0.25 -3.66 115.29 125.83 1sij s HIS 647 Ca 0.04 1.28 -0.06 0.00 -0.15 0.00 0.00 55.06 56.17 1sij s HIS 647 Cb -0.24 -3.13 -0.02 0.00 1.11 0.00 0.00 32.58 30.30 1sij s HIS 647 CO 0.03 -0.41 0.20 0.95 -0.85 0.00 0.00 174.74 174.65 1sij s THR 648 N 2.91 0.08 -0.70 1.30 -4.23 -1.26 -1.57 115.64 112.17 1sij s THR 648 Ca 0.39 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1sij s THR 648 Cb -0.15 -1.90 0.37 0.00 1.34 0.00 0.00 72.50 72.16 1sij s THR 648 CO 0.07 -0.37 1.63 0.00 -0.54 0.00 0.00 174.62 175.41 1sij n ALA 649 N -0.16 5.88 -2.62 3.99 0.00 -1.24 -4.40 120.51 121.96 1sij n ALA 649 Ca -0.07 -4.26 -0.41 0.00 0.00 0.00 0.00 53.44 48.70 1sij n ALA 649 Cb 0.63 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1sij n ALA 649 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1sij s TRP 650 N -3.87 2.38 0.10 0.00 -0.11 -1.26 -4.50 118.94 111.67 1sij s TRP 650 Ca 0.50 -0.18 -0.30 0.00 1.22 0.00 0.00 56.10 57.33 1sij s TRP 650 Cb 0.40 -4.55 -0.06 0.00 -1.50 0.00 0.00 33.47 27.76 1sij s TRP 650 CO -0.30 -1.98 1.14 -1.21 -4.62 0.00 0.00 176.95 169.97 1sij s GLU 651 N 5.34 4.51 -0.51 5.86 8.01 -1.26 -4.72 118.70 135.93 1sij s GLU 651 Ca 0.32 1.71 -0.14 0.00 0.01 0.00 0.00 54.97 56.87 1sij s GLU 651 Cb -0.10 -3.33 0.12 0.00 -4.31 0.00 0.00 34.13 26.51 1sij s GLU 651 CO 0.14 -0.11 0.44 0.34 0.01 0.00 0.00 175.26 176.08 1sij s ASP 652 N 0.60 6.03 0.55 -0.19 -1.08 -1.26 -4.72 116.67 116.61 1sij s ASP 652 Ca 0.54 -1.77 0.30 0.00 -0.52 0.00 0.00 52.55 51.10 1sij s ASP 652 Cb -0.28 -2.15 1.60 0.00 -1.46 0.00 0.00 42.92 40.63 1sij s ASP 652 CO 0.31 -0.78 2.13 0.45 0.52 0.00 0.00 175.17 177.80 1sij h HIS 653 N 8.74 0.00 0.00 -5.34 3.86 -1.94 -3.39 115.15 117.07 1sij h HIS 653 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1sij h HIS 653 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1sij h HIS 653 CO 0.69 0.08 0.00 0.41 0.86 0.00 0.00 177.93 179.97 1sij n GLY 654 N -0.81 0.94 0.28 2.45 0.00 -1.26 -1.99 105.19 104.79 1sij n GLY 654 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1sij n GLY 654 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1sij h GLN 655 N 0.00 0.00 0.00 1.61 -0.00 -1.88 -3.12 115.11 111.72 1sij h GLN 655 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1sij h GLN 655 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1sij h GLN 655 CO 0.00 0.08 0.00 0.41 -0.00 0.00 0.00 178.83 179.32 1sij n GLY 656 N -0.85 0.97 0.36 0.06 0.00 -1.26 -4.91 105.19 99.57 1sij n GLY 656 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1sij n GLY 656 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij h ALA 657 N 0.00 1.80 -0.22 4.61 0.00 -1.89 -0.17 119.26 123.39 1sij h ALA 657 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sij h ALA 657 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sij h ALA 657 CO 0.00 0.02 0.00 0.38 0.00 0.00 0.00 179.25 179.66 1sij h ASP 658 N 0.70 0.38 0.66 0.00 2.03 -1.96 -1.86 116.42 116.37 1sij h ASP 658 Ca 0.38 -0.30 -0.15 0.00 -0.73 0.00 0.00 57.03 56.23 1sij h ASP 658 Cb 0.52 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 1sij h ASP 658 CO -0.15 0.59 -0.70 -0.29 -1.03 0.00 0.00 179.24 177.66 1sij h ILE 659 N 0.15 1.49 -0.39 4.15 6.09 -1.85 -1.74 117.51 125.42 1sij h ILE 659 Ca 0.06 -2.37 -0.02 0.00 -1.37 0.00 0.00 64.86 61.16 1sij h ILE 659 Cb 0.39 2.28 -0.02 0.00 0.47 0.00 0.00 36.82 39.95 1sij h ILE 659 CO 0.01 0.68 0.16 1.23 -3.07 0.00 0.00 178.15 177.16 1sij h GLY 660 N 2.02 0.62 0.96 8.18 0.00 -1.01 0.18 103.07 114.03 1sij h GLY 660 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1sij h GLY 660 CO 0.09 0.31 -0.25 0.00 0.00 0.00 0.00 176.54 176.69 1sij h VAL 662 N -0.76 1.23 -0.14 0.00 2.07 -1.28 -0.57 116.25 116.81 1sij h VAL 662 Ca -0.07 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1sij h VAL 662 Cb 0.57 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1sij h VAL 662 CO 0.12 0.28 0.05 1.23 0.02 0.00 0.00 177.57 179.27 1sij h GLY 663 N 0.87 0.24 0.88 2.17 0.00 -0.67 -0.85 103.07 105.69 1sij h GLY 663 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1sij h GLY 663 CO -0.02 0.13 -0.01 -0.84 0.00 0.00 0.00 176.54 175.81 1sij h THR 664 N 0.05 1.26 -0.50 4.70 2.02 -1.24 -2.75 112.91 116.45 1sij h THR 664 Ca 0.05 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1sij h THR 664 Cb 0.22 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1sij h THR 664 CO -0.00 0.31 0.30 0.00 0.37 0.00 0.00 175.52 176.49 1sij h ALA 665 N 0.83 0.63 -0.56 6.16 0.00 -1.11 -2.06 119.26 123.15 1sij h ALA 665 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sij h ALA 665 Cb 0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1sij h ALA 665 CO 0.02 0.12 0.37 1.25 0.00 0.00 0.00 179.25 181.00 1sij h HIS 666 N 0.66 0.70 -0.71 0.00 6.17 -1.13 0.02 115.15 120.86 1sij h HIS 666 Ca 0.18 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 1sij h HIS 666 Cb -0.01 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 29.65 1sij h HIS 666 CO -0.03 0.44 0.41 1.49 0.71 0.00 0.00 177.93 180.95 1sij h GLU 667 N 0.76 0.99 0.00 5.26 4.57 -1.33 -2.13 114.58 122.69 1sij h GLU 667 Ca 0.20 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1sij h GLU 667 Cb -0.09 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1sij h GLU 667 CO -0.04 0.72 -0.22 0.00 -1.18 0.00 0.00 179.01 178.29 1sij h ALA 668 N 1.21 1.08 -0.03 2.92 0.00 -0.85 -3.12 119.26 120.47 1sij h ALA 668 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sij h ALA 668 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sij h ALA 668 CO -0.04 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1sij n LEU 669 N -3.47 2.62 -0.31 0.00 4.77 -0.05 -4.61 117.00 115.94 1sij n LEU 669 Ca -0.00 -0.88 0.16 0.00 -0.03 0.00 0.00 56.01 55.26 1sij n LEU 669 Cb 0.39 -0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.83 1sij n LEU 669 CO 0.33 0.44 1.04 0.03 -1.33 0.00 0.00 177.39 177.90 1sij h ARG 670 N 4.11 0.32 -0.65 3.23 3.08 -1.33 -0.30 114.38 122.84 1sij h ARG 670 Ca 0.00 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.16 1sij h ARG 670 Cb 0.87 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 1sij h ARG 670 CO 0.00 0.21 0.44 -1.35 -1.07 0.00 0.00 179.97 178.20 1sij h PRO 671 N 0.33 0.32 -0.01 0.04 0.11 -1.86 0.23 132.00 131.16 1sij h PRO 671 Ca 0.61 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1sij h PRO 671 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sij h PRO 671 CO -0.59 0.21 -0.08 -0.12 -0.21 0.00 0.00 178.00 177.21 1sij n MET 672 N -4.46 1.04 -3.53 1.05 1.56 -0.13 -4.98 117.12 107.68 1sij n MET 672 Ca 0.12 -0.44 -0.23 0.00 -0.27 0.00 0.00 57.70 56.88 1sij n MET 672 Cb 0.48 -1.49 0.05 0.00 2.15 0.00 0.00 33.22 34.41 1sij n MET 672 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sij n GLY 673 N 1.21 -0.83 3.60 -5.12 0.00 0.07 -4.97 105.19 99.14 1sij n GLY 673 Ca 0.17 0.40 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 1sij n GLY 673 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sij s VAL 674 N -3.49 5.15 0.38 1.61 1.01 -1.26 -5.06 120.40 118.74 1sij s VAL 674 Ca 0.32 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.57 1sij s VAL 674 Cb -0.08 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 1sij s VAL 674 CO 0.80 0.09 1.38 0.00 0.00 0.00 0.00 175.10 177.37 1sij s ALA 675 N 2.12 3.43 0.41 5.51 0.00 -1.26 -4.91 121.76 127.07 1sij s ALA 675 Ca 0.16 1.38 0.08 0.00 0.00 0.00 0.00 51.96 53.57 1sij s ALA 675 Cb -0.16 -3.53 0.89 0.00 0.00 0.00 0.00 23.12 20.31 1sij s ALA 675 CO 0.10 -0.88 2.05 -1.00 0.00 0.00 0.00 175.76 176.04 1sij h PRO 676 N 2.97 0.51 0.00 0.00 0.13 -1.95 -1.84 132.00 131.82 1sij h PRO 676 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1sij h PRO 676 Cb 1.24 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1sij h PRO 676 CO 0.64 0.34 0.00 -0.85 -0.23 0.00 0.00 178.00 177.90 1sij n GLU 677 N -4.48 0.14 -0.08 0.86 0.00 -1.26 -1.89 120.64 113.94 1sij n GLU 677 Ca 0.04 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1sij n GLU 677 Cb 0.09 -1.80 0.31 0.00 0.00 0.00 0.00 31.44 30.04 1sij n GLU 677 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sij n LYS 678 N -2.07 2.04 -3.79 3.44 5.02 -0.69 -4.87 118.16 117.23 1sij n LYS 678 Ca 0.02 -1.55 -0.36 0.00 -2.02 0.00 0.00 58.31 54.40 1sij n LYS 678 Cb 0.18 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 1sij n LYS 678 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sij s ILE 679 N -1.80 4.30 0.00 -0.18 1.01 -0.79 -1.34 121.20 122.40 1sij s ILE 679 Ca 0.34 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1sij s ILE 679 Cb 0.20 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1sij s ILE 679 CO 0.30 0.35 0.01 -0.54 0.00 0.00 0.00 174.94 175.06 1sij s LYS 680 N 1.50 2.79 0.37 2.79 -0.14 0.37 -4.92 119.74 122.49 1sij s LYS 680 Ca 0.06 -0.62 0.08 0.00 -1.36 0.00 0.00 55.97 54.12 1sij s LYS 680 Cb -0.15 -2.67 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1sij s LYS 680 CO 0.03 0.62 0.35 -0.59 -0.76 0.00 0.00 175.35 175.00 1sij s PHE 681 N -1.11 2.82 -0.05 3.18 -0.12 -1.26 -0.47 117.98 120.97 1sij s PHE 681 Ca 0.20 -0.39 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 1sij s PHE 681 Cb -0.12 -1.99 -0.01 0.00 -0.63 0.00 0.00 43.02 40.28 1sij s PHE 681 CO 0.11 0.02 -0.22 0.95 -0.05 0.00 0.00 175.22 176.03 1sij s THR 682 N -2.38 1.81 0.31 -4.49 -4.23 -1.24 -4.89 115.64 100.54 1sij s THR 682 Ca 0.45 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1sij s THR 682 Cb -0.05 -1.54 -0.11 0.00 1.34 0.00 0.00 72.50 72.15 1sij s THR 682 CO 0.27 0.51 1.47 0.26 -0.54 0.00 0.00 174.62 176.60 1sij s TRP 683 N -0.15 2.83 0.23 3.99 0.52 -1.26 -4.63 118.94 120.47 1sij s TRP 683 Ca -0.02 1.06 -0.32 0.00 0.02 0.00 0.00 56.10 56.85 1sij s TRP 683 Cb -0.12 -3.92 -0.13 0.00 -1.15 0.00 0.00 33.47 28.15 1sij s TRP 683 CO 0.03 -2.88 1.59 -2.30 0.02 0.00 0.00 176.95 173.41 1sij n PRO 684 N 1.53 2.48 -3.66 4.98 -0.02 -1.26 -4.92 135.00 134.13 1sij n PRO 684 Ca 0.04 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.35 1sij n PRO 684 Cb 0.39 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.13 1sij n PRO 684 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1sij s ASN 685 N 0.72 -0.52 0.57 2.55 3.84 -1.26 -1.79 114.94 119.05 1sij s ASN 685 Ca 0.71 1.15 0.33 0.00 0.21 0.00 0.00 52.86 55.25 1sij s ASN 685 Cb -0.57 1.54 1.73 0.00 -0.55 0.00 0.00 41.25 43.40 1sij s ASN 685 CO 0.42 -0.23 2.16 0.71 -2.79 0.00 0.00 177.10 177.38 1sij h THR 686 N 6.03 0.35 0.01 -5.21 1.35 -1.50 -0.58 112.91 113.36 1sij h THR 686 Ca -0.19 -0.32 -0.29 0.00 -0.55 0.00 0.00 66.41 65.06 1sij h THR 686 Cb 1.12 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 68.72 1sij h THR 686 CO 0.13 0.06 -1.68 0.00 -0.25 0.00 0.00 175.52 173.78 1sij h ALA 687 N 1.94 0.70 -0.00 6.62 0.00 -1.92 -3.41 119.26 123.19 1sij h ALA 687 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.50 1sij h ALA 687 Cb 0.23 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sij h ALA 687 CO 0.01 1.53 -0.01 0.25 0.00 0.00 0.00 179.25 181.03 1sij n THR 688 N -3.12 0.00 -4.37 0.00 -2.24 -1.10 -5.00 114.28 98.45 1sij n THR 688 Ca -0.17 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.86 1sij n THR 688 Cb 1.04 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 70.16 1sij n THR 688 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sij s THR 689 N -0.34 2.10 0.82 4.28 -4.23 -0.24 -4.98 115.64 113.05 1sij s THR 689 Ca 0.01 -1.87 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 1sij s THR 689 Cb 0.00 -1.94 0.08 0.00 1.34 0.00 0.00 72.50 71.99 1sij s THR 689 CO 0.01 -0.12 1.09 -2.16 -0.54 0.00 0.00 174.62 172.90 1sij s PRO 690 N -2.46 1.88 -1.24 3.99 0.04 -1.26 -4.70 135.00 131.24 1sij s PRO 690 Ca 0.16 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 1sij s PRO 690 Cb -0.08 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1sij s PRO 690 CO 0.07 -1.84 1.85 -1.71 0.04 0.00 0.00 177.00 175.42 1sij n ASN 691 N -3.62 4.03 0.09 6.66 5.15 -1.26 -3.68 115.26 122.63 1sij n ASN 691 Ca 0.08 -2.82 0.11 0.00 -0.60 0.00 0.00 54.58 51.35 1sij n ASN 691 Cb 0.55 -1.71 0.45 0.00 -0.53 0.00 0.00 39.78 38.54 1sij n ASN 691 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1sij n SER 692 N 10.52 0.51 0.00 1.20 7.64 -1.26 -3.94 113.62 128.30 1sij n SER 692 Ca 0.48 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1sij n SER 692 Cb 0.45 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1sij n SER 692 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sij n GLY 693 N 0.33 0.10 3.84 0.23 0.00 -1.26 -4.60 105.19 103.83 1sij n GLY 693 Ca 0.03 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1sij n GLY 693 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sij s PRO 694 N -1.76 3.66 -1.35 1.61 0.04 -1.26 -4.72 135.00 131.22 1sij s PRO 694 Ca 0.00 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 61.87 1sij s PRO 694 Cb 0.00 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.56 1sij s PRO 694 CO 0.00 -0.51 1.99 0.43 0.04 0.00 0.00 177.00 178.95 1sij n SER 695 N -2.08 4.57 -4.14 6.66 7.64 0.45 -4.77 113.62 121.94 1sij n SER 695 Ca 0.07 -2.98 -0.09 0.00 1.01 0.00 0.00 58.87 56.88 1sij n SER 695 Cb 0.54 -1.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 1sij n SER 695 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sij s GLY 696 N 2.17 0.65 -1.49 0.23 0.00 -1.26 -4.88 107.32 102.74 1sij s GLY 696 Ca 0.44 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 1sij s GLY 696 CO -0.03 -1.40 0.26 0.61 0.00 0.00 0.00 173.10 172.54 1sij n GLY 697 N 0.02 -0.39 4.34 0.20 0.00 -1.26 -3.16 105.19 104.93 1sij n GLY 697 Ca -0.13 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1sij n GLY 697 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sij n SER 698 N -1.79 0.57 -0.02 1.61 7.64 -1.26 -1.16 113.62 119.22 1sij n SER 698 Ca -0.16 -1.27 0.07 0.00 1.01 0.00 0.00 58.87 58.52 1sij n SER 698 Cb 0.64 -1.63 -0.13 0.00 -1.01 0.00 0.00 64.21 62.07 1sij n SER 698 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1sij n ARG 699 N -4.52 0.62 -0.03 1.43 1.85 -1.19 -4.01 116.66 110.81 1sij n ARG 699 Ca -0.27 -0.14 -0.12 0.00 -1.00 0.00 0.00 57.85 56.31 1sij n ARG 699 Cb 0.67 -1.41 -0.08 0.00 -1.05 0.00 0.00 32.46 30.59 1sij n ARG 699 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1sij h GLN 700 N 0.00 0.16 -0.99 2.89 1.08 -1.86 0.24 115.11 116.63 1sij h GLN 700 Ca -0.05 -0.06 0.14 0.00 -1.45 0.00 0.00 58.65 57.23 1sij h GLN 700 Cb 0.92 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.26 1sij h GLN 700 CO 0.00 0.48 0.62 0.37 -0.95 0.00 0.00 178.83 179.36 1sij h GLN 701 N -0.17 0.89 0.16 1.46 5.75 -1.92 0.27 115.11 121.55 1sij h GLN 701 Ca 0.02 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1sij h GLN 701 Cb 0.42 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1sij h GLN 701 CO 0.01 0.59 -0.08 0.28 -2.65 0.00 0.00 178.83 176.98 1sij h VAL 702 N 0.92 0.27 0.42 2.39 2.07 -1.79 -2.77 116.25 117.75 1sij h VAL 702 Ca 0.51 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1sij h VAL 702 Cb 0.59 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1sij h VAL 702 CO -0.28 0.08 -0.20 0.24 0.02 0.00 0.00 177.57 177.43 1sij h MET 703 N -1.03 -0.54 -0.01 1.57 2.86 -0.38 -1.50 114.93 115.91 1sij h MET 703 Ca -0.02 0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 1sij h MET 703 Cb 0.30 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1sij h MET 703 CO 0.04 -0.26 -0.88 1.15 1.06 0.00 0.00 176.91 178.02 1sij h THR 704 N -1.05 1.44 -0.34 2.22 2.02 -0.71 -2.25 112.91 114.25 1sij h THR 704 Ca -0.06 -2.49 0.04 0.00 0.77 0.00 0.00 66.41 64.68 1sij h THR 704 Cb 0.53 2.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 1sij h THR 704 CO 0.09 0.73 0.10 1.23 0.37 0.00 0.00 175.52 178.04 1sij h GLY 705 N 1.55 0.42 0.99 2.16 0.00 -0.75 0.48 103.07 107.91 1sij h GLY 705 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1sij h GLY 705 CO 0.14 0.01 0.16 3.43 0.00 0.00 0.00 176.54 180.28 1sij h ASN 706 N 0.23 0.27 -0.94 0.19 2.35 -1.25 -0.23 115.58 116.21 1sij h ASN 706 Ca 0.16 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1sij h ASN 706 Cb 0.15 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 1sij h ASN 706 CO -0.18 0.20 0.62 0.00 -1.65 0.00 0.00 177.43 176.42 1sij h ALA 707 N 1.10 1.37 -0.58 -0.83 0.00 -0.86 0.16 119.26 119.61 1sij h ALA 707 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1sij h ALA 707 Cb -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1sij h ALA 707 CO -0.03 0.56 -0.03 0.82 0.00 0.00 0.00 179.25 180.57 1sij h ILE 708 N 1.23 1.27 -0.37 0.00 2.04 0.16 -0.59 117.51 121.25 1sij h ILE 708 Ca 0.36 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1sij h ILE 708 Cb -0.05 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1sij h ILE 708 CO -0.10 0.43 0.07 -0.09 0.00 0.00 0.00 178.15 178.46 1sij h ARG 709 N 0.94 0.60 -0.24 2.37 2.43 -0.15 -0.67 114.38 119.65 1sij h ARG 709 Ca 0.16 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1sij h ARG 709 Cb 0.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1sij h ARG 709 CO 0.04 0.65 0.09 0.28 -1.51 0.00 0.00 179.97 179.52 1sij h VAL 710 N 0.44 1.17 -0.67 0.20 2.07 -0.65 0.99 116.25 119.80 1sij h VAL 710 Ca 0.11 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1sij h VAL 710 Cb 0.33 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1sij h VAL 710 CO 0.00 0.17 0.38 0.00 0.02 0.00 0.00 177.57 178.15 1sij h ALA 711 N 0.93 0.90 -0.34 1.67 0.00 -1.02 0.32 119.26 121.72 1sij h ALA 711 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1sij h ALA 711 Cb 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sij h ALA 711 CO -0.01 0.07 -0.44 0.00 0.00 0.00 0.00 179.25 178.87 1sij h GLU 713 N 0.72 0.87 -0.11 0.00 5.08 -0.41 -1.83 114.58 118.89 1sij h GLU 713 Ca 0.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1sij h GLU 713 Cb 1.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1sij h GLU 713 CO 0.10 0.57 -0.46 -0.91 -1.00 0.00 0.00 179.01 177.32 1sij h ASN 714 N 0.89 0.29 -0.29 1.42 2.35 -0.72 -2.76 115.58 116.77 1sij h ASN 714 Ca 0.31 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1sij h ASN 714 Cb 0.06 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1sij h ASN 714 CO -0.13 0.71 -0.08 0.25 -1.65 0.00 0.00 177.43 176.54 1sij h LEU 715 N 0.22 0.66 -0.10 1.61 5.85 -0.88 -1.87 115.31 120.81 1sij h LEU 715 Ca 0.01 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1sij h LEU 715 Cb 0.89 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1sij h LEU 715 CO 0.07 0.78 0.05 -0.07 -0.34 0.00 0.00 178.44 178.94 1sij h LEU 716 N 0.63 0.12 -0.78 2.25 3.38 -1.09 -1.05 115.31 118.77 1sij h LEU 716 Ca 0.12 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1sij h LEU 716 Cb 0.51 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1sij h LEU 716 CO 0.03 0.16 0.47 0.11 0.09 0.00 0.00 178.44 179.30 1sij h LYS 717 N 0.07 0.83 0.00 1.13 1.57 -1.39 0.37 116.57 119.15 1sij h LYS 717 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1sij h LYS 717 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1sij h LYS 717 CO -0.01 0.55 -0.23 0.00 -0.57 0.00 0.00 179.45 179.19 1sij h ALA 718 N 1.38 1.38 0.00 3.86 0.00 -1.10 -3.02 119.26 121.76 1sij h ALA 718 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sij h ALA 718 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sij h ALA 718 CO -0.17 0.29 -1.29 0.00 0.00 0.00 0.00 179.25 178.07 1sij n GLU 720 N -2.01 2.21 -3.14 0.00 2.13 0.12 -0.00 120.64 119.95 1sij n GLU 720 Ca 0.01 0.80 -0.39 0.00 0.66 0.00 0.00 57.16 58.24 1sij n GLU 720 Cb 0.46 -2.62 -0.06 0.00 0.27 0.00 0.00 31.44 29.50 1sij n GLU 720 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1sij s LYS 721 N 2.53 4.37 0.27 5.31 2.20 0.04 -4.76 119.74 129.69 1sij s LYS 721 Ca 0.86 0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 57.02 1sij s LYS 721 Cb -0.67 -3.32 -0.11 0.00 -1.51 0.00 0.00 37.83 32.22 1sij s LYS 721 CO 0.44 0.42 1.59 -2.14 -0.36 0.00 0.00 175.35 175.30 1sij s PRO 722 N -0.42 4.14 0.00 4.03 0.02 -1.26 -2.19 135.00 139.33 1sij s PRO 722 Ca 0.33 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1sij s PRO 722 Cb -0.19 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1sij s PRO 722 CO 0.20 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1sij n GLY 723 N 2.49 0.63 0.00 0.52 0.00 -1.26 -4.91 105.19 102.66 1sij n GLY 723 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1sij n GLY 723 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sij n GLY 724 N -2.71 1.31 1.33 -0.02 0.00 -0.93 -5.13 105.19 99.03 1sij n GLY 724 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1sij n GLY 724 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sij n GLY 725 N 1.44 -2.21 2.93 -0.02 0.00 -1.26 -4.67 105.19 101.40 1sij n GLY 725 Ca 0.00 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 1sij n GLY 725 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sij s TYR 726 N -0.20 0.30 0.70 1.61 2.02 -1.26 -0.78 117.35 119.73 1sij s TYR 726 Ca 0.00 -0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 1sij s TYR 726 Cb 0.00 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.39 1sij s TYR 726 CO 0.00 -0.02 1.09 0.71 -1.57 0.00 0.00 175.55 175.75 1sij s TYR 727 N -0.25 2.75 0.64 2.71 2.02 0.99 -4.83 117.35 121.38 1sij s TYR 727 Ca -0.01 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 1sij s TYR 727 Cb -0.02 -3.04 0.08 0.00 -0.40 0.00 0.00 41.96 38.57 1sij s TYR 727 CO -0.00 -1.56 0.89 0.95 -1.57 0.00 0.00 175.55 174.25 1sij s THR 728 N -2.72 2.39 0.08 -0.71 -4.23 -1.26 -4.96 115.64 104.24 1sij s THR 728 Ca 0.62 -0.62 -0.24 0.00 -1.18 0.00 0.00 61.69 60.27 1sij s THR 728 Cb -0.17 -2.77 -0.16 0.00 1.34 0.00 0.00 72.50 70.74 1sij s THR 728 CO 0.49 0.00 1.71 0.22 -0.54 0.00 0.00 174.62 176.50 1sij h TYR 729 N -0.23 -0.07 -1.01 3.99 5.03 -1.90 -2.11 116.97 120.67 1sij h TYR 729 Ca -0.39 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 60.93 1sij h TYR 729 Cb 1.28 0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.54 1sij h TYR 729 CO 0.12 -0.03 0.67 -0.44 -1.32 0.00 0.00 178.16 177.17 1sij h ASP 730 N -0.09 1.15 -0.51 -2.11 3.45 -1.94 -0.70 116.42 115.67 1sij h ASP 730 Ca -0.01 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 1sij h ASP 730 Cb 0.08 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 1sij h ASP 730 CO 0.01 0.83 0.06 -0.33 -1.57 0.00 0.00 179.24 178.24 1sij h GLU 731 N 1.36 0.85 -0.47 3.56 5.08 -1.94 -2.05 114.58 120.97 1sij h GLU 731 Ca 0.37 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1sij h GLU 731 Cb -0.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1sij h GLU 731 CO -0.09 0.86 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.66 1sij h LEU 732 N 0.73 0.86 -0.43 1.33 3.38 -0.69 -2.53 115.31 117.95 1sij h LEU 732 Ca 0.15 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 1sij h LEU 732 Cb 0.43 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sij h LEU 732 CO 0.01 0.99 -0.56 0.11 0.09 0.00 0.00 178.44 179.08 1sij h LYS 733 N 0.71 0.67 -0.28 1.13 1.79 -1.14 0.19 116.57 119.64 1sij h LYS 733 Ca 0.13 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 58.14 1sij h LYS 733 Cb 0.58 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 1sij h LYS 733 CO 0.03 1.05 0.04 0.00 -1.08 0.00 0.00 179.45 179.49 1sij h ALA 734 N 0.86 1.56 -0.12 3.86 0.00 -1.34 -0.28 119.26 123.80 1sij h ALA 734 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sij h ALA 734 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sij h ALA 734 CO 0.11 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1sij n ALA 735 N -2.49 2.54 -3.37 0.00 0.00 -0.96 -4.92 120.51 111.32 1sij n ALA 735 Ca 0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 1sij n ALA 735 Cb 0.18 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.53 1sij n ALA 735 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sij n ASP 736 N -0.08 -5.08 -4.88 0.00 4.64 -0.12 -5.00 116.55 106.03 1sij n ASP 736 Ca 0.13 -0.44 -0.32 0.00 -1.38 0.00 0.00 54.79 52.78 1sij n ASP 736 Cb 0.21 -4.11 -0.05 0.00 -1.04 0.00 0.00 41.12 36.13 1sij n ASP 736 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1sij s LYS 737 N -6.05 3.72 0.52 -0.67 1.02 0.64 -5.01 119.74 113.91 1sij s LYS 737 Ca 0.44 0.11 -0.21 0.00 0.02 0.00 0.00 55.97 56.32 1sij s LYS 737 Cb -0.21 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.23 1sij s LYS 737 CO 0.54 0.43 1.20 -1.25 -0.92 0.00 0.00 175.35 175.35 1sij s PRO 738 N -2.55 3.41 0.00 -1.68 0.04 -1.26 -4.44 135.00 128.52 1sij s PRO 738 Ca 0.42 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1sij s PRO 738 Cb -0.12 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1sij s PRO 738 CO 0.22 -0.86 0.13 0.25 0.04 0.00 0.00 177.00 176.79 1sij n THR 739 N -0.97 0.00 -3.99 1.26 -2.24 -1.26 -4.96 114.28 102.12 1sij n THR 739 Ca 0.10 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 1sij n THR 739 Cb 0.48 1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 69.66 1sij n THR 739 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sij s LYS 740 N -0.48 2.53 -0.08 -0.78 2.20 -1.26 -1.18 119.74 120.68 1sij s LYS 740 Ca 0.00 -1.18 0.03 0.00 -0.36 0.00 0.00 55.97 54.47 1sij s LYS 740 Cb 0.00 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1sij s LYS 740 CO 0.00 -0.51 -0.19 0.42 -0.36 0.00 0.00 175.35 174.71 1sij s ILE 741 N 1.23 2.62 0.28 5.43 -1.09 0.37 -4.95 121.20 125.09 1sij s ILE 741 Ca -0.04 -0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 1sij s ILE 741 Cb -0.18 -2.03 -0.09 0.00 -1.58 0.00 0.00 42.46 38.58 1sij s ILE 741 CO -0.04 0.56 0.73 0.42 -1.23 0.00 0.00 174.94 175.37 1sij s THR 742 N -0.07 4.64 -0.01 2.92 -4.23 -1.26 -0.28 115.64 117.35 1sij s THR 742 Ca -0.04 1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1sij s THR 742 Cb -0.14 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.01 1sij s THR 742 CO 0.04 -0.03 0.01 -0.83 -0.54 0.00 0.00 174.62 173.27 1sij s GLY 743 N -2.04 0.04 0.24 3.99 0.00 -0.14 -4.57 107.32 104.85 1sij s GLY 743 Ca 0.50 0.13 0.11 0.00 0.00 0.00 0.00 44.72 45.45 1sij s GLY 743 CO 0.19 0.29 -0.19 -1.31 0.00 0.00 0.00 173.10 172.08 1sij s ASN 744 N 0.45 3.26 -0.05 1.64 -0.87 -1.26 -1.32 114.94 116.78 1sij s ASN 744 Ca -0.04 -1.00 -0.10 0.00 -1.57 0.00 0.00 52.86 50.16 1sij s ASN 744 Cb -0.05 -0.24 0.02 0.00 -0.02 0.00 0.00 41.25 40.95 1sij s ASN 744 CO -0.01 -0.01 0.24 0.86 -2.57 0.00 0.00 177.10 175.61 1sij s TRP 745 N -2.49 -0.17 -0.02 2.20 -0.00 -0.80 -4.74 118.94 112.92 1sij s TRP 745 Ca 0.26 0.35 0.02 0.00 -0.00 0.00 0.00 56.10 56.73 1sij s TRP 745 Cb -0.04 0.06 0.01 0.00 -0.00 0.00 0.00 33.47 33.49 1sij s TRP 745 CO 0.12 -0.25 -0.06 0.99 -0.00 0.00 0.00 176.95 177.75 1sij s THR 746 N -0.68 0.54 -1.04 5.86 2.01 -1.26 -1.53 115.64 119.54 1sij s THR 746 Ca -0.08 -0.22 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 1sij s THR 746 Cb -0.04 -0.50 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 1sij s THR 746 CO 0.02 0.18 1.96 0.00 -0.69 0.00 0.00 174.62 176.09 1sij n ALA 747 N 3.41 3.40 -0.36 7.40 0.00 0.28 -4.80 120.51 129.84 1sij n ALA 747 Ca -0.19 -3.40 0.06 0.00 0.00 0.00 0.00 53.44 49.91 1sij n ALA 747 Cb 0.54 -3.58 0.23 0.00 0.00 0.00 0.00 19.45 16.64 1sij n ALA 747 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1sij h SER 748 N 7.93 0.94 -0.19 0.00 0.02 -1.91 -2.85 113.55 117.49 1sij h SER 748 Ca 0.41 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1sij h SER 748 Cb 0.74 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1sij h SER 748 CO 1.74 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 178.55 1sij n GLY 749 N -1.35 0.16 3.91 -3.77 0.00 -1.26 -4.89 105.19 97.99 1sij n GLY 749 Ca 0.18 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1sij n GLY 749 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij s ALA 750 N -1.71 3.87 0.06 4.61 0.00 -1.08 -4.93 121.76 122.59 1sij s ALA 750 Ca 0.13 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1sij s ALA 750 Cb 0.07 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1sij s ALA 750 CO 0.08 0.70 -0.07 0.95 0.00 0.00 0.00 175.76 177.42 1sij s THR 751 N -1.64 0.55 0.51 0.00 -4.23 0.29 -3.94 115.64 107.18 1sij s THR 751 Ca 0.39 -1.41 -0.20 0.00 -1.18 0.00 0.00 61.69 59.29 1sij s THR 751 Cb -0.12 -1.01 -0.07 0.00 1.34 0.00 0.00 72.50 72.64 1sij s THR 751 CO 0.26 -0.59 1.10 -1.00 -0.54 0.00 0.00 174.62 173.85 1sij s HIS 752 N -2.30 2.82 0.17 3.99 3.76 -1.26 -2.42 115.29 120.05 1sij s HIS 752 Ca -0.02 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.15 1sij s HIS 752 Cb -0.04 -3.21 -0.08 0.00 1.11 0.00 0.00 32.58 30.36 1sij s HIS 752 CO -0.02 -1.28 1.23 0.00 -0.85 0.00 0.00 174.74 173.82 1sij s ASP 754 N 0.31 6.27 0.51 0.00 2.15 0.12 -4.85 116.67 121.18 1sij s ASP 754 Ca 0.55 2.69 0.26 0.00 0.43 0.00 0.00 52.55 56.48 1sij s ASP 754 Cb -0.33 -2.64 1.36 0.00 -0.30 0.00 0.00 42.92 41.01 1sij s ASP 754 CO 0.36 -0.88 2.04 0.00 -0.17 0.00 0.00 175.17 176.51 1sij h ALA 755 N 2.65 1.28 0.03 3.66 0.00 -1.93 -0.31 119.26 124.64 1sij h ALA 755 Ca -0.50 -0.13 -0.39 0.00 0.00 0.00 0.00 54.91 53.90 1sij h ALA 755 Cb 1.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1sij h ALA 755 CO 0.62 0.17 -2.26 0.28 0.00 0.00 0.00 179.25 178.07 1sij n VAL 756 N -3.67 1.57 -0.01 0.00 0.31 -1.26 -4.54 118.33 110.73 1sij n VAL 756 Ca -0.02 -0.50 0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1sij n VAL 756 Cb 0.26 -1.65 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 1sij n VAL 756 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1sij n THR 757 N -3.64 0.08 -0.82 2.52 -2.24 -1.24 -4.55 114.28 104.39 1sij n THR 757 Ca -0.43 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1sij n THR 757 Cb 0.95 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1sij n THR 757 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 758 N 1.46 1.04 3.82 3.38 0.00 -0.13 0.24 105.19 115.00 1sij n GLY 758 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1sij n GLY 758 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sij s LEU 759 N 0.00 3.98 0.00 0.99 1.43 -1.26 -4.40 118.68 119.42 1sij s LEU 759 Ca 0.00 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1sij s LEU 759 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1sij s LEU 759 CO 0.00 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1sij n GLY 760 N -0.52 -1.26 2.41 -3.19 0.00 -0.15 -0.70 105.19 101.77 1sij n GLY 760 Ca 0.07 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1sij n GLY 760 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sij n LYS 761 N 0.00 1.77 0.19 1.61 5.02 -1.18 -4.15 118.16 121.42 1sij n LYS 761 Ca 0.00 -4.13 0.04 0.00 -2.02 0.00 0.00 58.31 52.19 1sij n LYS 761 Cb 0.00 -1.92 0.39 0.00 -0.02 0.00 0.00 35.03 33.49 1sij n LYS 761 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1sij h PRO 762 N 4.36 0.00 -4.71 1.97 0.13 -1.82 0.84 132.00 132.76 1sij h PRO 762 Ca 0.16 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.94 1sij h PRO 762 Cb 0.75 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.63 1sij h PRO 762 CO 0.68 0.35 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.98 1sij s PHE 763 N -4.14 0.78 -0.63 1.56 0.08 -1.26 -1.56 117.98 112.81 1sij s PHE 763 Ca -0.03 -0.30 0.23 0.00 0.12 0.00 0.00 56.93 56.95 1sij s PHE 763 Cb 0.14 -0.47 0.08 0.00 -0.57 0.00 0.00 43.02 42.20 1sij s PHE 763 CO 0.71 -0.02 1.06 1.33 -0.10 0.00 0.00 175.22 178.20 1sij n VAL 764 N 2.17 0.18 -4.34 -0.44 0.24 -1.26 -4.85 118.33 110.03 1sij n VAL 764 Ca -0.18 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.34 61.66 1sij n VAL 764 Cb 0.56 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.96 1sij n VAL 764 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1sij s VAL 765 N -3.18 0.86 0.33 3.34 1.01 -1.26 -4.82 120.40 116.66 1sij s VAL 765 Ca 0.04 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1sij s VAL 765 Cb 0.14 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1sij s VAL 765 CO 0.79 0.30 -0.06 -0.31 0.00 0.00 0.00 175.10 175.82 1sij s TYR 766 N 0.87 2.47 -0.05 5.22 2.02 -1.26 -0.42 117.35 126.19 1sij s TYR 766 Ca -0.11 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1sij s TYR 766 Cb -0.15 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1sij s TYR 766 CO 0.01 0.56 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.86 1sij s MET 767 N -3.65 2.75 -0.01 -0.62 -1.94 0.29 -4.85 119.30 111.27 1sij s MET 767 Ca 0.33 -0.56 0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1sij s MET 767 Cb -0.00 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 1sij s MET 767 CO 0.18 0.66 -0.13 0.71 -0.01 0.00 0.00 175.02 176.42 1sij s TYR 768 N -0.87 1.18 0.11 -0.03 2.02 -1.24 -2.21 117.35 116.30 1sij s TYR 768 Ca 0.14 -0.23 -0.21 0.00 -0.37 0.00 0.00 57.07 56.40 1sij s TYR 768 Cb -0.11 -0.76 0.05 0.00 -0.40 0.00 0.00 41.96 40.74 1sij s TYR 768 CO 0.03 -0.03 0.51 0.20 -1.57 0.00 0.00 175.55 174.69 1sij s GLY 769 N -0.27 -0.44 -0.11 0.71 0.00 -0.52 -1.33 107.32 105.36 1sij s GLY 769 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.15 1sij s GLY 769 CO -0.00 0.08 -0.14 0.14 0.00 0.00 0.00 173.10 173.17 1sij s VAL 770 N -3.26 1.40 -0.08 1.40 1.01 -0.18 -0.78 120.40 119.91 1sij s VAL 770 Ca -0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1sij s VAL 770 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1sij s VAL 770 CO -0.08 0.42 0.15 -0.36 0.00 0.00 0.00 175.10 175.23 1sij s PHE 771 N 1.11 3.57 -0.09 5.22 0.08 0.11 -0.52 117.98 127.46 1sij s PHE 771 Ca -0.05 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.47 1sij s PHE 771 Cb -0.14 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1sij s PHE 771 CO -0.03 0.70 -0.07 1.41 -0.10 0.00 0.00 175.22 177.13 1sij s MET 772 N -1.35 1.31 -0.08 0.44 -2.45 0.33 -2.24 119.30 115.26 1sij s MET 772 Ca 0.19 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.43 1sij s MET 772 Cb -0.12 -1.34 -0.03 0.00 1.25 0.00 0.00 34.83 34.59 1sij s MET 772 CO 0.09 -0.18 -0.06 0.00 1.05 0.00 0.00 175.02 175.91 1sij s ALA 773 N 1.41 2.99 -0.20 4.11 0.00 -0.08 0.01 121.76 130.00 1sij s ALA 773 Ca -0.02 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1sij s ALA 773 Cb -0.13 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.74 1sij s ALA 773 CO -0.04 0.52 -0.15 -1.21 0.00 0.00 0.00 175.76 174.87 1sij s GLU 774 N -0.63 2.55 0.16 0.00 2.02 -0.09 -1.41 118.70 121.31 1sij s GLU 774 Ca 0.10 -0.92 0.06 0.00 0.02 0.00 0.00 54.97 54.22 1sij s GLU 774 Cb -0.12 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1sij s GLU 774 CO 0.02 -0.34 -0.13 0.14 0.02 0.00 0.00 175.26 174.96 1sij s VAL 775 N 1.29 1.44 -0.13 2.63 -7.23 -0.69 0.56 120.40 118.27 1sij s VAL 775 Ca 0.00 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1sij s VAL 775 Cb -0.15 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1sij s VAL 775 CO -0.10 -0.55 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.03 1sij s THR 776 N -2.69 2.02 -0.21 5.32 2.01 0.40 -1.07 115.64 121.42 1sij s THR 776 Ca 0.15 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 1sij s THR 776 Cb -0.02 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1sij s THR 776 CO 0.04 0.55 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 1sij s VAL 777 N 0.69 3.84 -0.49 3.82 1.01 0.16 -0.60 120.40 128.83 1sij s VAL 777 Ca -0.10 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1sij s VAL 777 Cb -0.16 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1sij s VAL 777 CO 0.01 0.42 0.94 -0.62 0.00 0.00 0.00 175.10 175.85 1sij s ASP 778 N 1.15 6.45 0.04 3.32 3.68 -0.29 -0.46 116.67 130.56 1sij s ASP 778 Ca 0.03 -0.02 0.23 0.00 2.13 0.00 0.00 52.55 54.91 1sij s ASP 778 Cb -0.14 -2.45 0.95 0.00 -1.45 0.00 0.00 42.92 39.82 1sij s ASP 778 CO 0.01 -1.11 1.73 1.33 0.13 0.00 0.00 175.17 177.25 1sij n VAL 779 N 6.36 0.50 0.11 1.11 0.24 -0.50 0.11 118.33 126.26 1sij n VAL 779 Ca 0.05 0.08 -0.18 0.00 -2.04 0.00 0.00 64.34 62.25 1sij n VAL 779 Cb 0.48 -0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 31.96 1sij n VAL 779 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sij h ALA 780 N 2.71 0.05 0.00 2.33 0.00 -1.92 -3.39 119.26 119.05 1sij h ALA 780 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1sij h ALA 780 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sij h ALA 780 CO 0.00 0.93 -1.34 0.25 0.00 0.00 0.00 179.25 179.09 1sij n THR 781 N -3.56 0.00 -1.03 0.00 -2.24 -1.05 -5.00 114.28 101.40 1sij n THR 781 Ca -0.11 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.40 1sij n THR 781 Cb 1.04 0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1sij n THR 781 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 782 N 1.69 0.45 3.70 3.38 0.00 0.30 -4.39 105.19 110.31 1sij n GLY 782 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1sij n GLY 782 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sij s GLN 783 N -0.81 4.42 -0.16 1.61 2.00 -1.18 -4.22 119.66 121.31 1sij s GLN 783 Ca 0.00 1.13 -0.09 0.00 -2.00 0.00 0.00 55.36 54.40 1sij s GLN 783 Cb 0.00 -3.50 -0.05 0.00 0.80 0.00 0.00 33.01 30.26 1sij s GLN 783 CO 0.00 -0.14 0.15 0.99 -0.50 0.00 0.00 175.29 175.79 1sij s THR 784 N 1.46 5.43 -0.13 -0.34 2.01 -1.26 -1.14 115.64 121.67 1sij s THR 784 Ca 0.43 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1sij s THR 784 Cb -0.18 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1sij s THR 784 CO 0.19 0.51 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.54 1sij s THR 785 N -0.17 2.40 -0.31 -0.82 2.01 0.23 -4.98 115.64 114.00 1sij s THR 785 Ca 0.11 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 1sij s THR 785 Cb -0.12 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1sij s THR 785 CO 0.01 0.54 0.77 -0.69 -0.69 0.00 0.00 174.62 174.56 1sij s VAL 786 N 0.65 4.80 -0.14 3.82 1.01 -1.26 -0.45 120.40 128.82 1sij s VAL 786 Ca -0.10 1.13 0.21 0.00 0.00 0.00 0.00 61.98 63.22 1sij s VAL 786 Cb -0.16 -4.14 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 1sij s VAL 786 CO 0.02 -0.26 0.75 0.47 0.00 0.00 0.00 175.10 176.08 1sij n ASP 787 N 6.20 0.50 -3.58 3.32 10.43 0.19 -4.02 116.55 129.59 1sij n ASP 787 Ca 0.03 0.20 -0.13 0.00 2.57 0.00 0.00 54.79 57.46 1sij n ASP 787 Cb 0.48 1.00 -0.06 0.00 1.84 0.00 0.00 41.12 44.38 1sij n ASP 787 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1sij s GLY 788 N -4.55 -0.37 -0.02 0.44 0.00 -0.97 -4.45 107.32 97.40 1sij s GLY 788 Ca -0.04 1.99 0.03 0.00 0.00 0.00 0.00 44.72 46.70 1sij s GLY 788 CO 0.84 1.32 -0.11 1.06 0.00 0.00 0.00 173.10 176.21 1sij s MET 789 N -0.56 1.07 -0.04 2.90 -1.94 -0.64 -0.91 119.30 119.17 1sij s MET 789 Ca -0.03 -0.37 0.05 0.00 -1.71 0.00 0.00 55.69 53.63 1sij s MET 789 Cb -0.02 -0.99 -0.01 0.00 2.01 0.00 0.00 34.83 35.82 1sij s MET 789 CO 0.02 0.16 -0.21 0.99 -0.01 0.00 0.00 175.02 175.97 1sij s THR 790 N 0.07 1.69 -0.16 2.05 2.01 0.10 -0.70 115.64 120.70 1sij s THR 790 Ca -0.01 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1sij s THR 790 Cb -0.08 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.03 1sij s THR 790 CO 0.00 0.48 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.10 1sij s LEU 791 N -0.13 1.75 -0.29 4.42 2.96 0.56 -0.51 118.68 127.44 1sij s LEU 791 Ca -0.02 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 52.99 1sij s LEU 791 Cb -0.12 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.51 1sij s LEU 791 CO 0.02 -0.12 1.12 -0.04 -1.32 0.00 0.00 176.35 176.01 1sij s MET 792 N 1.53 4.09 -0.10 1.98 -1.94 0.32 -1.09 119.30 124.10 1sij s MET 792 Ca 0.02 1.20 0.03 0.00 -1.71 0.00 0.00 55.69 55.23 1sij s MET 792 Cb -0.14 -3.74 0.01 0.00 2.01 0.00 0.00 34.83 32.96 1sij s MET 792 CO -0.09 -0.87 -0.18 0.00 -0.01 0.00 0.00 175.02 173.86 1sij s ALA 793 N 3.67 1.82 -0.45 3.03 0.00 0.81 -1.01 121.76 129.63 1sij s ALA 793 Ca 0.48 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1sij s ALA 793 Cb -0.14 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1sij s ALA 793 CO 0.15 0.11 0.32 0.34 0.00 0.00 0.00 175.76 176.68 1sij s ASP 794 N 0.65 5.79 -0.06 0.00 2.15 -0.44 -0.49 116.67 124.27 1sij s ASP 794 Ca -0.13 -1.57 0.13 0.00 0.43 0.00 0.00 52.55 51.41 1sij s ASP 794 Cb -0.16 -2.05 0.41 0.00 -0.30 0.00 0.00 42.92 40.82 1sij s ASP 794 CO 0.04 -0.61 1.34 0.18 -0.17 0.00 0.00 175.17 175.94 1sij n LEU 795 N 5.00 3.36 0.00 -1.34 4.77 -1.26 -3.63 117.00 123.90 1sij n LEU 795 Ca -0.10 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 1sij n LEU 795 Cb 0.42 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1sij n LEU 795 CO 0.42 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 1sij n GLY 796 N 0.25 1.18 3.60 -0.72 0.00 -1.26 -1.53 105.19 106.72 1sij n GLY 796 Ca 0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1sij n GLY 796 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sij s SER 797 N 0.00 -0.52 -0.23 1.61 0.15 -1.22 -3.07 113.70 110.42 1sij s SER 797 Ca 0.00 0.85 -0.16 0.00 0.70 0.00 0.00 55.95 57.33 1sij s SER 797 Cb 0.00 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 1sij s SER 797 CO 0.00 -0.29 0.42 -0.76 1.20 0.00 0.00 173.24 173.81 1sij s LEU 798 N -0.29 4.10 0.05 3.45 1.43 -1.26 -4.33 118.68 121.83 1sij s LEU 798 Ca -0.01 0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 1sij s LEU 798 Cb -0.03 -2.53 -0.17 0.00 0.03 0.00 0.00 46.19 43.49 1sij s LEU 798 CO -0.00 -0.15 1.57 0.00 0.23 0.00 0.00 176.35 178.00 1sij s ASN 800 N -5.27 -0.07 0.14 0.00 3.84 -1.26 -0.26 114.94 112.07 1sij s ASN 800 Ca -0.14 0.64 -0.11 0.00 0.21 0.00 0.00 52.86 53.46 1sij s ASN 800 Cb 0.04 0.65 -0.02 0.00 -0.55 0.00 0.00 41.25 41.37 1sij s ASN 800 CO 0.65 -0.20 1.51 -0.61 -2.79 0.00 0.00 177.10 175.66 1sij h GLN 801 N 7.68 0.92 -0.75 0.43 4.15 -0.98 -1.66 115.11 124.90 1sij h GLN 801 Ca -0.28 -0.43 0.11 0.00 0.77 0.00 0.00 58.65 58.82 1sij h GLN 801 Cb 1.14 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.74 1sij h GLN 801 CO 0.25 1.09 0.36 -0.07 -1.93 0.00 0.00 178.83 178.53 1sij h LEU 802 N 0.75 0.45 -0.11 -2.39 3.38 -1.88 0.66 115.31 116.17 1sij h LEU 802 Ca 0.09 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1sij h LEU 802 Cb 0.84 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1sij h LEU 802 CO 0.07 0.23 -0.06 0.00 0.09 0.00 0.00 178.44 178.78 1sij h ALA 803 N 1.48 0.16 -0.25 1.53 0.00 -1.85 -2.10 119.26 118.23 1sij h ALA 803 Ca 0.39 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1sij h ALA 803 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sij h ALA 803 CO -0.31 -0.06 -0.35 1.79 0.00 0.00 0.00 179.25 180.32 1sij h THR 804 N -0.12 1.31 -0.04 0.00 1.35 -1.07 0.33 112.91 114.67 1sij h THR 804 Ca 0.02 -1.54 0.03 0.00 -0.55 0.00 0.00 66.41 64.37 1sij h THR 804 Cb 0.51 1.70 -0.04 0.00 -1.73 0.00 0.00 68.15 68.60 1sij h THR 804 CO 0.02 0.49 -0.19 0.44 -0.25 0.00 0.00 175.52 176.03 1sij h ASP 805 N 0.40 -0.56 -0.45 5.36 3.32 -0.97 -0.73 116.42 122.79 1sij h ASP 805 Ca 0.03 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1sij h ASP 805 Cb 0.93 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1sij h ASP 805 CO 0.08 -0.25 0.26 1.23 -1.72 0.00 0.00 179.24 178.85 1sij h GLY 806 N -0.28 0.63 0.31 2.75 0.00 -1.30 -0.30 103.07 104.88 1sij h GLY 806 Ca 0.07 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.25 1sij h GLY 806 CO -0.21 0.16 -0.22 1.46 0.00 0.00 0.00 176.54 177.73 1sij h GLN 807 N 0.52 -0.27 -0.03 4.80 1.08 -0.72 -0.21 115.11 120.28 1sij h GLN 807 Ca 0.18 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1sij h GLN 807 Cb 0.03 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1sij h GLN 807 CO -0.09 -0.18 0.01 0.82 -0.95 0.00 0.00 178.83 178.44 1sij h ILE 808 N -0.28 1.16 -0.83 2.54 2.04 -0.79 -1.42 117.51 119.94 1sij h ILE 808 Ca 0.10 -0.49 0.14 0.00 1.00 0.00 0.00 64.86 65.62 1sij h ILE 808 Cb 0.43 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 1sij h ILE 808 CO -0.30 0.13 0.41 1.88 0.00 0.00 0.00 178.15 180.27 1sij h TYR 809 N -0.15 0.72 -0.42 1.37 0.05 -0.97 -0.70 116.97 116.88 1sij h TYR 809 Ca 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1sij h TYR 809 Cb 0.20 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1sij h TYR 809 CO -0.01 0.17 0.15 0.78 -1.05 0.00 0.00 178.16 178.20 1sij h GLY 810 N 0.60 0.70 1.64 3.88 0.00 -0.71 -2.60 103.07 106.57 1sij h GLY 810 Ca 0.45 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1sij h GLY 810 CO -0.36 0.37 -0.48 -1.33 0.00 0.00 0.00 176.54 174.74 1sij h GLY 811 N 0.54 0.43 0.93 4.60 0.00 -0.70 -2.77 103.07 106.10 1sij h GLY 811 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1sij h GLY 811 CO -0.01 0.41 0.14 1.41 0.00 0.00 0.00 176.54 178.49 1sij h LEU 812 N 0.31 0.39 -0.96 3.11 3.38 -1.06 -0.91 115.31 119.57 1sij h LEU 812 Ca 0.02 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1sij h LEU 812 Cb 0.96 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1sij h LEU 812 CO 0.08 0.42 0.61 0.00 0.09 0.00 0.00 178.44 179.64 1sij h ALA 813 N 0.99 1.37 0.00 1.53 0.00 -1.41 -0.29 119.26 121.46 1sij h ALA 813 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1sij h ALA 813 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sij h ALA 813 CO -0.01 0.33 -0.35 1.96 0.00 0.00 0.00 179.25 181.18 1sij h GLN 814 N 1.06 0.00 -0.41 0.00 4.20 -1.26 -2.14 115.11 116.56 1sij h GLN 814 Ca 0.44 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.06 1sij h GLN 814 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1sij h GLN 814 CO -0.21 0.35 -0.12 0.78 -0.67 0.00 0.00 178.83 178.96 1sij h GLY 815 N 1.80 0.80 0.84 3.46 0.00 0.34 -0.68 103.07 109.64 1sij h GLY 815 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 1sij h GLY 815 CO 0.05 0.55 -0.08 -2.22 0.00 0.00 0.00 176.54 174.84 1sij h ILE 816 N 0.67 1.29 -0.09 2.60 2.04 -0.72 -1.18 117.51 122.12 1sij h ILE 816 Ca 0.11 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1sij h ILE 816 Cb 0.59 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1sij h ILE 816 CO 0.04 0.34 -0.05 1.23 0.00 0.00 0.00 178.15 179.71 1sij h GLY 817 N 0.21 0.03 0.84 5.37 0.00 -1.40 -0.90 103.07 107.22 1sij h GLY 817 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1sij h GLY 817 CO 0.03 -0.06 0.63 -2.00 0.00 0.00 0.00 176.54 175.14 1sij h LEU 818 N -0.05 1.04 -0.24 3.11 5.85 -1.08 0.47 115.31 124.41 1sij h LEU 818 Ca 0.05 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1sij h LEU 818 Cb 0.13 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1sij h LEU 818 CO -0.12 0.70 -0.30 0.00 -0.34 0.00 0.00 178.44 178.39 1sij h ALA 819 N 1.41 0.36 0.00 1.25 0.00 -0.98 -3.40 119.26 117.90 1sij h ALA 819 Ca 0.40 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1sij h ALA 819 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sij h ALA 819 CO -0.14 0.38 -1.49 1.28 0.00 0.00 0.00 179.25 179.28 1sij n LEU 820 N -4.30 0.00 0.00 0.00 4.77 -0.36 0.11 117.00 117.22 1sij n LEU 820 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1sij n LEU 820 Cb 0.47 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1sij n LEU 820 CO 0.44 0.15 0.00 -1.54 -1.33 0.00 0.00 177.39 175.11 1sij n SER 821 N -2.18 0.00 -4.79 -1.43 3.41 -0.04 -4.03 113.62 104.56 1sij n SER 821 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 1sij n SER 821 Cb 0.63 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1sij n SER 821 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sij s GLU 822 N -0.59 4.17 -0.17 4.33 2.02 0.15 -4.01 118.70 124.59 1sij s GLU 822 Ca 0.00 0.55 -0.31 0.00 0.02 0.00 0.00 54.97 55.23 1sij s GLU 822 Cb 0.00 -3.31 0.14 0.00 0.10 0.00 0.00 34.13 31.07 1sij s GLU 822 CO 0.00 0.48 1.10 0.34 0.02 0.00 0.00 175.26 177.20 1sij s ASP 823 N -0.46 -0.26 -0.47 -0.19 2.15 -1.19 -4.56 116.67 111.69 1sij s ASP 823 Ca 0.27 0.21 0.03 0.00 0.43 0.00 0.00 52.55 53.48 1sij s ASP 823 Cb -0.17 0.23 0.13 0.00 -0.30 0.00 0.00 42.92 42.81 1sij s ASP 823 CO 0.14 -0.29 0.24 0.12 -0.17 0.00 0.00 175.17 175.21 1sij s PHE 824 N -1.55 2.53 -0.06 -5.34 2.19 -0.52 -4.71 117.98 110.51 1sij s PHE 824 Ca 0.03 -2.74 -0.02 0.00 0.33 0.00 0.00 56.93 54.53 1sij s PHE 824 Cb -0.01 -2.30 -0.03 0.00 -1.31 0.00 0.00 43.02 39.37 1sij s PHE 824 CO -0.03 -0.77 -0.07 -1.91 1.83 0.00 0.00 175.22 174.27 1sij n GLU 825 N 3.41 0.14 -3.31 10.12 4.07 -1.26 -4.62 120.64 129.20 1sij n GLU 825 Ca 0.07 0.05 -0.41 0.00 -0.06 0.00 0.00 57.16 56.81 1sij n GLU 825 Cb 0.34 -0.86 -0.08 0.00 -0.06 0.00 0.00 31.44 30.78 1sij n GLU 825 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1sij s ASP 826 N -5.25 6.27 0.33 4.31 -1.08 -1.26 -4.97 116.67 115.02 1sij s ASP 826 Ca -0.09 -0.05 0.09 0.00 -0.52 0.00 0.00 52.55 51.98 1sij s ASP 826 Cb 0.03 -2.24 0.85 0.00 -1.46 0.00 0.00 42.92 40.10 1sij s ASP 826 CO 0.12 -0.40 1.78 0.40 0.52 0.00 0.00 175.17 177.60 1sij h ILE 827 N 5.56 0.66 0.02 4.11 2.04 -1.96 -1.79 117.51 126.15 1sij h ILE 827 Ca -0.29 -0.22 -0.29 0.00 1.00 0.00 0.00 64.86 65.06 1sij h ILE 827 Cb 1.13 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1sij h ILE 827 CO 0.73 0.12 -1.56 0.29 0.00 0.00 0.00 178.15 177.73 1sij n LYS 828 N -4.72 0.60 -0.21 2.37 4.76 -1.26 -4.16 118.16 115.54 1sij n LYS 828 Ca 0.23 0.48 -0.01 0.00 -2.87 0.00 0.00 58.31 56.15 1sij n LYS 828 Cb 0.64 -1.70 0.22 0.00 -1.84 0.00 0.00 35.03 32.35 1sij n LYS 828 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1sij h LYS 829 N -0.82 0.98 -0.65 1.97 1.57 -1.94 -2.81 116.57 114.87 1sij h LYS 829 Ca -0.41 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1sij h LYS 829 Cb 1.47 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1sij h LYS 829 CO -0.19 0.70 0.00 0.72 -0.57 0.00 0.00 179.45 180.11 1sij n HIS 830 N -4.38 1.72 0.65 -1.35 8.25 -0.68 -4.24 115.22 115.19 1sij n HIS 830 Ca 0.07 -0.60 0.08 0.00 -0.26 0.00 0.00 57.72 57.01 1sij n HIS 830 Cb 0.08 -0.43 0.23 0.00 1.12 0.00 0.00 29.99 30.99 1sij n HIS 830 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sij n ALA 831 N 0.56 2.44 -2.47 -1.41 0.00 -1.06 -4.42 120.51 114.16 1sij n ALA 831 Ca 0.23 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.67 1sij n ALA 831 Cb 1.03 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 1sij n ALA 831 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sij s THR 832 N -1.46 2.40 0.14 0.00 -4.23 -1.26 -4.08 115.64 107.14 1sij s THR 832 Ca 0.31 -2.37 -0.23 0.00 -1.18 0.00 0.00 61.69 58.21 1sij s THR 832 Cb 0.16 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1sij s THR 832 CO 0.22 -0.39 1.64 -0.07 -0.54 0.00 0.00 174.62 175.48 1sij h LEU 833 N 2.27 -0.68 -0.42 4.79 3.38 -1.96 -2.09 115.31 120.60 1sij h LEU 833 Ca -0.40 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1sij h LEU 833 Cb 1.26 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1sij h LEU 833 CO 0.61 -0.27 -0.18 -0.37 0.09 0.00 0.00 178.44 178.32 1sij h VAL 834 N -0.28 1.28 -0.38 1.22 -1.51 -1.92 -1.64 116.25 113.02 1sij h VAL 834 Ca 0.10 -1.31 -0.04 0.00 -1.23 0.00 0.00 66.70 64.22 1sij h VAL 834 Cb 0.43 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1sij h VAL 834 CO -0.29 0.44 0.06 1.23 -1.23 0.00 0.00 177.57 177.78 1sij h GLY 835 N 0.68 0.60 -0.84 5.19 0.00 -1.75 -2.48 103.07 104.46 1sij h GLY 835 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1sij h GLY 835 CO 0.06 0.31 0.00 0.00 0.00 0.00 0.00 176.54 176.91 1sij n ALA 836 N -2.47 2.53 -2.43 3.60 0.00 -0.79 -4.57 120.51 116.38 1sij n ALA 836 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.91 1sij n ALA 836 Cb 0.21 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1sij n ALA 836 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sij n GLY 837 N 1.17 0.74 3.71 0.00 0.00 -0.94 -3.16 105.19 106.72 1sij n GLY 837 Ca 0.17 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1sij n GLY 837 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sij s PHE 838 N -2.78 2.80 -0.46 1.61 5.36 -0.64 -4.10 117.98 119.77 1sij s PHE 838 Ca 0.02 0.32 -0.28 0.00 -0.96 0.00 0.00 56.93 56.03 1sij s PHE 838 Cb -0.01 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.56 1sij s PHE 838 CO 0.03 -4.28 1.52 -2.14 -1.46 0.00 0.00 175.22 168.89 1sij s PRO 839 N 1.44 3.37 0.81 10.12 0.02 -1.26 -4.89 135.00 144.61 1sij s PRO 839 Ca 0.75 0.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 1sij s PRO 839 Cb -0.48 -4.12 0.10 0.00 0.02 0.00 0.00 34.50 30.02 1sij s PRO 839 CO 0.33 -1.83 1.17 -0.06 -0.33 0.00 0.00 177.00 176.28 1sij s PHE 840 N 6.19 2.67 0.28 6.54 0.40 -1.26 -4.83 117.98 127.97 1sij s PHE 840 Ca 0.63 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 57.56 1sij s PHE 840 Cb -0.14 -3.54 0.61 0.00 0.51 0.00 0.00 43.02 40.45 1sij s PHE 840 CO 0.30 -1.86 1.75 0.97 0.70 0.00 0.00 175.22 177.08 1sij h ILE 841 N -1.06 0.68 0.00 0.64 2.10 -1.89 -1.40 117.51 116.58 1sij h ILE 841 Ca -0.45 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.28 1sij h ILE 841 Cb 1.31 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1sij h ILE 841 CO 0.59 0.11 0.00 0.11 -1.08 0.00 0.00 178.15 177.89 1sij h LYS 842 N 0.62 0.00 0.00 2.19 1.79 -1.93 -1.36 116.57 117.87 1sij h LYS 842 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1sij h LYS 842 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1sij h LYS 842 CO -0.39 0.00 0.00 0.37 -1.08 0.00 0.00 179.45 178.35 1sij h GLN 843 N 0.00 0.00 -4.98 3.15 4.15 -1.61 -3.43 115.11 112.39 1sij h GLN 843 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.77 1sij h GLN 843 Cb 0.40 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 27.84 1sij h GLN 843 CO 0.00 0.00 -0.67 0.42 -1.93 0.00 0.00 178.83 176.65 1sij s ILE 844 N -3.15 3.92 0.48 2.39 -1.09 -0.51 -4.66 121.20 118.58 1sij s ILE 844 Ca 0.09 -0.31 -0.23 0.00 -2.23 0.00 0.00 60.65 57.98 1sij s ILE 844 Cb 0.11 -2.81 -0.07 0.00 -1.58 0.00 0.00 42.46 38.11 1sij s ILE 844 CO 0.57 0.38 1.23 -2.16 -1.23 0.00 0.00 174.94 173.73 1sij s PRO 845 N 1.51 3.60 0.42 2.79 0.04 -1.26 -4.91 135.00 137.19 1sij s PRO 845 Ca 0.06 1.93 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1sij s PRO 845 Cb -0.15 -2.39 0.91 0.00 0.04 0.00 0.00 34.50 32.92 1sij s PRO 845 CO 0.01 -0.73 1.99 0.22 0.04 0.00 0.00 177.00 178.53 1sij h ASP 846 N 1.92 0.19 -0.80 6.66 -0.00 -1.91 -3.37 116.42 119.10 1sij h ASP 846 Ca -0.50 -0.03 -0.57 0.00 -0.00 0.00 0.00 57.03 55.94 1sij h ASP 846 Cb 1.26 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.33 40.47 1sij h ASP 846 CO 0.59 0.28 1.78 -0.75 -0.00 0.00 0.00 179.24 181.14 1sij s LYS 847 N -4.88 3.52 -0.26 0.28 2.20 -1.26 -4.91 119.74 114.43 1sij s LYS 847 Ca -0.06 -1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 53.93 1sij s LYS 847 Cb 0.16 -5.42 0.03 0.00 -1.51 0.00 0.00 37.83 31.09 1sij s LYS 847 CO 0.72 -2.70 -0.03 -0.51 -0.36 0.00 0.00 175.35 172.47 1sij s LEU 848 N 6.16 3.41 -0.13 5.43 1.43 -1.26 -1.62 118.68 132.10 1sij s LEU 848 Ca 0.57 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1sij s LEU 848 Cb 0.02 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1sij s LEU 848 CO 0.06 -0.16 -0.13 -1.81 0.23 0.00 0.00 176.35 174.54 1sij s ASP 849 N 1.33 4.00 -0.10 2.29 -0.00 0.13 -5.01 116.67 119.31 1sij s ASP 849 Ca -0.01 -0.32 0.02 0.00 -0.00 0.00 0.00 52.55 52.24 1sij s ASP 849 Cb -0.17 -1.59 -0.02 0.00 -0.00 0.00 0.00 42.92 41.14 1sij s ASP 849 CO -0.03 0.17 -0.15 -0.63 -0.00 0.00 0.00 175.17 174.53 1sij s ILE 850 N 0.32 2.90 -0.20 0.77 1.01 -1.26 -0.32 121.20 124.42 1sij s ILE 850 Ca -0.10 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1sij s ILE 850 Cb -0.16 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1sij s ILE 850 CO 0.06 0.55 -0.14 -0.69 0.00 0.00 0.00 174.94 174.71 1sij s VAL 851 N 0.02 1.86 -0.18 2.92 1.01 -0.25 -4.97 120.40 120.82 1sij s VAL 851 Ca -0.05 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 1sij s VAL 851 Cb -0.14 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1sij s VAL 851 CO 0.04 0.30 0.80 -0.31 0.00 0.00 0.00 175.10 175.94 1sij s TYR 852 N 1.32 3.41 -0.60 5.22 1.51 -1.26 -0.14 117.35 126.82 1sij s TYR 852 Ca 0.00 1.21 0.06 0.00 -1.01 0.00 0.00 57.07 57.33 1sij s TYR 852 Cb -0.15 -2.99 0.21 0.00 -0.11 0.00 0.00 41.96 38.92 1sij s TYR 852 CO -0.10 -0.24 0.57 0.28 -1.11 0.00 0.00 175.55 174.96 1sij n VAL 853 N 4.75 1.19 -2.86 0.71 0.31 0.35 -4.93 118.33 117.87 1sij n VAL 853 Ca 0.04 -4.69 -0.42 0.00 -0.01 0.00 0.00 64.34 59.27 1sij n VAL 853 Cb 0.49 -2.05 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 1sij n VAL 853 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1sij s ASN 854 N -1.60 7.00 -0.44 4.52 0.01 -1.26 -4.14 114.94 119.03 1sij s ASN 854 Ca 0.33 1.23 -0.03 0.00 -0.71 0.00 0.00 52.86 53.68 1sij s ASN 854 Cb 0.07 -2.47 0.12 0.00 0.41 0.00 0.00 41.25 39.38 1sij s ASN 854 CO -0.11 -0.41 0.23 -1.00 -1.51 0.00 0.00 177.10 174.31 1sij s HIS 855 N 2.14 3.56 0.03 2.20 3.76 -1.26 -4.84 115.29 120.89 1sij s HIS 855 Ca 0.40 -2.45 -0.38 0.00 -0.15 0.00 0.00 55.06 52.47 1sij s HIS 855 Cb -0.17 -3.23 -0.18 0.00 1.11 0.00 0.00 32.58 30.12 1sij s HIS 855 CO 0.13 -0.96 1.27 -2.30 -0.85 0.00 0.00 174.74 172.04 1sij n PRO 856 N 4.46 0.75 -2.84 8.40 -0.02 -1.17 -4.23 135.00 140.34 1sij n PRO 856 Ca -0.01 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1sij n PRO 856 Cb 0.41 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 1sij n PRO 856 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sij s ARG 857 N 0.51 4.56 0.23 -0.52 1.81 0.70 -4.97 118.95 121.26 1sij s ARG 857 Ca 0.88 1.25 -0.06 0.00 -1.72 0.00 0.00 55.73 56.07 1sij s ARG 857 Cb -1.07 -3.41 0.38 0.00 -0.45 0.00 0.00 34.95 30.40 1sij s ARG 857 CO 0.52 0.12 1.74 -1.35 -0.68 0.00 0.00 175.30 175.64 1sij h PRO 858 N 6.19 0.42 -0.00 3.54 0.11 -1.88 -2.81 132.00 137.56 1sij h PRO 858 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sij h PRO 858 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sij h PRO 858 CO 0.73 0.28 -0.51 -0.25 -0.21 0.00 0.00 178.00 178.04 1sij n ASP 859 N -5.00 0.79 -4.81 -2.05 8.00 -1.26 -4.94 116.55 107.28 1sij n ASP 859 Ca 0.12 -0.59 -0.34 0.00 0.71 0.00 0.00 54.79 54.69 1sij n ASP 859 Cb 0.36 0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 41.73 1sij n ASP 859 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1sij s GLY 860 N -2.85 2.49 -0.17 0.44 0.00 -1.06 -4.99 107.32 101.18 1sij s GLY 860 Ca 0.14 0.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.00 1sij s GLY 860 CO 0.67 0.75 1.81 2.56 0.00 0.00 0.00 173.10 178.88 1sij s PRO 861 N -2.91 3.72 -1.89 2.90 0.04 -1.26 -1.62 135.00 133.99 1sij s PRO 861 Ca 0.59 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1sij s PRO 861 Cb -0.11 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1sij s PRO 861 CO 0.16 -1.40 0.00 1.19 0.04 0.00 0.00 177.00 176.99 1sij n PHE 862 N 8.94 -0.29 0.00 0.56 3.01 -1.26 -2.07 117.46 126.34 1sij n PHE 862 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1sij n PHE 862 Cb 0.44 -3.26 0.00 0.00 -0.01 0.00 0.00 39.48 36.65 1sij n PHE 862 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sij n GLY 863 N -0.44 0.30 3.75 1.37 0.00 -0.64 -4.73 105.19 104.80 1sij n GLY 863 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1sij n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sij s ALA 864 N -2.00 3.41 0.66 4.61 0.00 -0.88 -0.22 121.76 127.34 1sij s ALA 864 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1sij s ALA 864 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.88 1sij s ALA 864 CO 0.00 -0.23 0.91 -1.54 0.00 0.00 0.00 175.76 174.90 1sij s SER 865 N -0.52 4.69 1.07 0.00 1.04 -0.58 -4.01 113.70 115.39 1sij s SER 865 Ca 0.47 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 1sij s SER 865 Cb -0.32 0.38 0.16 0.00 0.10 0.00 0.00 66.02 66.34 1sij s SER 865 CO 0.39 -1.65 0.76 0.61 0.98 0.00 0.00 173.24 174.33 1sij n GLY 866 N -2.53 -1.96 0.00 7.32 0.00 -1.26 -4.74 105.19 102.02 1sij n GLY 866 Ca 0.17 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1sij n GLY 866 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sij n VAL 867 N -3.52 0.00 -0.31 1.61 3.14 -1.26 -4.84 118.33 113.14 1sij n VAL 867 Ca 0.10 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.40 1sij n VAL 867 Cb 0.36 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.07 1sij n VAL 867 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sij n GLY 868 N 0.22 -1.93 0.31 7.55 0.00 -1.26 -2.07 105.19 108.01 1sij n GLY 868 Ca 0.00 0.88 0.11 0.00 0.00 0.00 0.00 46.02 47.01 1sij n GLY 868 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sij n GLU 869 N -4.93 0.78 -0.07 1.61 1.02 -1.26 -4.50 120.64 113.29 1sij n GLU 869 Ca 0.02 -0.63 -0.07 0.00 -0.02 0.00 0.00 57.16 56.46 1sij n GLU 869 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1sij n GLU 869 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sij h LEU 870 N 1.53 -0.39 0.00 -4.62 5.85 -1.80 -2.27 115.31 113.61 1sij h LEU 870 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1sij h LEU 870 Cb 0.65 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1sij h LEU 870 CO 0.00 -0.14 0.00 -0.81 -0.34 0.00 0.00 178.44 177.15 1sij n PRO 871 N -5.29 0.20 -0.01 5.25 -0.04 -1.26 -2.04 135.00 131.82 1sij n PRO 871 Ca -0.00 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1sij n PRO 871 Cb 0.20 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.19 1sij n PRO 871 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sij n LEU 872 N -1.17 1.49 0.12 1.53 0.00 -0.87 -3.74 117.00 114.37 1sij n LEU 872 Ca 0.06 -1.11 -0.13 0.00 0.00 0.00 0.00 56.01 54.82 1sij n LEU 872 Cb 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 43.42 43.40 1sij n LEU 872 CO 0.06 0.33 0.77 0.71 0.00 0.00 0.00 177.39 179.26 1sij h THR 873 N 0.87 0.67 0.00 1.96 1.35 -1.24 -3.39 112.91 113.14 1sij h THR 873 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 1sij h THR 873 Cb 0.23 0.67 -0.23 0.00 -1.73 0.00 0.00 68.15 67.10 1sij h THR 873 CO 0.00 0.00 -0.66 -1.54 -0.25 0.00 0.00 175.52 173.07 1sij n SER 874 N -5.27 0.18 0.18 5.36 3.41 -1.26 -3.19 113.62 113.03 1sij n SER 874 Ca -0.08 -1.92 0.06 0.00 -0.26 0.00 0.00 58.87 56.67 1sij n SER 874 Cb 0.19 -0.08 0.54 0.00 -0.26 0.00 0.00 64.21 64.60 1sij n SER 874 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1sij h PRO 875 N 0.49 0.14 0.00 4.33 0.13 -1.79 -1.30 132.00 134.00 1sij h PRO 875 Ca -0.29 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1sij h PRO 875 Cb 1.62 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.71 1sij h PRO 875 CO -0.04 0.15 -0.39 1.12 -0.23 0.00 0.00 178.00 178.61 1sij h HIS 876 N 0.14 0.00 -0.17 1.56 2.07 -1.91 -1.29 115.15 115.56 1sij h HIS 876 Ca 0.03 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.51 1sij h HIS 876 Cb 0.10 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.07 1sij h HIS 876 CO 0.00 0.39 -0.08 0.00 -3.07 0.00 0.00 177.93 175.18 1sij h ALA 877 N 1.61 0.23 -0.87 6.11 0.00 -1.59 -1.62 119.26 123.13 1sij h ALA 877 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sij h ALA 877 Cb 0.80 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1sij h ALA 877 CO 0.05 0.04 0.56 0.00 0.00 0.00 0.00 179.25 179.90 1sij h ALA 878 N 0.68 1.14 -0.29 0.00 0.00 -1.25 0.21 119.26 119.75 1sij h ALA 878 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sij h ALA 878 Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sij h ALA 878 CO 0.02 0.42 0.12 0.82 0.00 0.00 0.00 179.25 180.64 1sij h ILE 879 N 1.11 1.17 -0.26 0.00 2.04 -1.23 -0.12 117.51 120.21 1sij h ILE 879 Ca 0.34 -0.50 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1sij h ILE 879 Cb -0.02 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1sij h ILE 879 CO -0.11 0.17 -0.29 0.40 0.00 0.00 0.00 178.15 178.33 1sij h ILE 880 N 0.32 1.28 -0.55 -0.67 5.03 -0.90 -1.18 117.51 120.84 1sij h ILE 880 Ca 0.10 -1.36 -0.04 0.00 -0.12 0.00 0.00 64.86 63.44 1sij h ILE 880 Cb 0.16 1.39 -0.03 0.00 -3.03 0.00 0.00 36.82 35.31 1sij h ILE 880 CO -0.01 0.43 0.18 0.78 -0.68 0.00 0.00 178.15 178.86 1sij h ASN 881 N 0.46 0.75 -0.35 1.72 -0.26 -0.46 -1.97 115.58 115.47 1sij h ASN 881 Ca 0.06 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.59 1sij h ASN 881 Cb 0.74 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 1sij h ASN 881 CO 0.06 0.70 -0.14 0.00 -1.06 0.00 0.00 177.43 176.99 1sij h ALA 882 N 1.40 0.94 -0.58 -0.83 0.00 -0.25 -0.52 119.26 119.41 1sij h ALA 882 Ca 0.18 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1sij h ALA 882 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1sij h ALA 882 CO -0.01 0.62 0.12 0.82 0.00 0.00 0.00 179.25 180.80 1sij h ILE 883 N 0.72 1.25 -0.52 0.00 2.04 -0.93 -0.15 117.51 119.92 1sij h ILE 883 Ca 0.12 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1sij h ILE 883 Cb 0.64 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1sij h ILE 883 CO 0.04 0.35 0.23 0.50 0.00 0.00 0.00 178.15 179.27 1sij h LYS 884 N 0.86 0.77 -0.48 2.37 1.63 -1.19 -1.30 116.57 119.22 1sij h LYS 884 Ca 0.18 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1sij h LYS 884 Cb 0.38 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1sij h LYS 884 CO 0.01 0.66 0.14 1.03 -3.45 0.00 0.00 179.45 177.84 1sij h SER 885 N 0.70 0.64 -0.24 4.20 0.87 -0.85 0.37 113.55 119.24 1sij h SER 885 Ca 0.18 -0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.48 1sij h SER 885 Cb 0.16 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1sij h SER 885 CO -0.02 0.62 -0.46 0.00 -0.53 0.00 0.00 176.83 176.44 1sij h ALA 886 N 1.48 0.60 0.00 6.23 0.00 -0.63 -3.41 119.26 123.52 1sij h ALA 886 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sij h ALA 886 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sij h ALA 886 CO -0.01 0.68 0.00 0.25 0.00 0.00 0.00 179.25 180.17 1sij n THR 887 N -4.02 0.00 -0.31 0.00 -2.24 -0.53 -4.60 114.28 102.57 1sij n THR 887 Ca -0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1sij n THR 887 Cb 0.58 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1sij n THR 887 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sij n GLY 888 N 0.20 2.06 3.80 3.38 0.00 0.13 -5.02 105.19 109.73 1sij n GLY 888 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1sij n GLY 888 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sij s VAL 889 N -3.20 5.41 -0.24 1.61 -7.23 -1.26 -4.97 120.40 110.53 1sij s VAL 889 Ca 0.00 0.29 -0.07 0.00 -1.81 0.00 0.00 61.98 60.39 1sij s VAL 889 Cb 0.00 -3.48 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 1sij s VAL 889 CO 0.00 0.52 0.07 -0.60 -0.31 0.00 0.00 175.10 174.78 1sij s ARG 890 N -0.32 3.71 -0.29 4.82 3.52 -1.26 -3.13 118.95 126.00 1sij s ARG 890 Ca 0.13 -0.45 -0.25 0.00 -0.13 0.00 0.00 55.73 55.03 1sij s ARG 890 Cb -0.12 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1sij s ARG 890 CO 0.02 -0.10 0.87 0.42 -0.81 0.00 0.00 175.30 175.70 1sij s ILE 891 N 1.38 4.74 -0.12 4.11 -1.09 -1.26 -4.93 121.20 124.02 1sij s ILE 891 Ca 0.05 1.43 0.17 0.00 -2.23 0.00 0.00 60.65 60.07 1sij s ILE 891 Cb -0.15 -4.20 -0.17 0.00 -1.58 0.00 0.00 42.46 36.36 1sij s ILE 891 CO 0.04 -0.25 0.70 -1.22 -1.23 0.00 0.00 174.94 172.97 1sij n TYR 892 N 6.30 0.80 -4.08 3.97 4.01 -1.26 -4.83 117.16 122.08 1sij n TYR 892 Ca 0.06 0.27 -0.32 0.00 -0.16 0.00 0.00 57.90 57.75 1sij n TYR 892 Cb 0.48 -1.05 -0.15 0.00 -0.31 0.00 0.00 39.34 38.31 1sij n TYR 892 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sij s ARG 893 N -2.89 2.49 0.47 -0.72 0.52 -1.26 -1.51 118.95 116.05 1sij s ARG 893 Ca -0.04 -1.18 -0.21 0.00 -0.52 0.00 0.00 55.73 53.78 1sij s ARG 893 Cb 0.09 -2.81 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 1sij s ARG 893 CO 0.82 -0.46 1.03 -0.51 0.02 0.00 0.00 175.30 176.20 1sij s LEU 894 N 1.17 3.89 0.54 2.53 1.43 -0.61 -4.41 118.68 123.22 1sij s LEU 894 Ca -0.04 1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.94 1sij s LEU 894 Cb -0.18 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.53 1sij s LEU 894 CO -0.07 -0.71 0.82 -2.16 0.23 0.00 0.00 176.35 174.45 1sij s PRO 895 N -3.14 2.93 -1.43 1.29 0.04 -1.26 -4.48 135.00 128.93 1sij s PRO 895 Ca 0.66 -0.23 -0.14 0.00 0.04 0.00 0.00 61.00 61.33 1sij s PRO 895 Cb -0.16 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.05 1sij s PRO 895 CO 0.20 -0.57 2.17 0.00 0.04 0.00 0.00 177.00 178.85 1sij n ALA 896 N -2.40 5.46 -1.66 8.56 0.00 0.12 -4.94 120.51 125.64 1sij n ALA 896 Ca 0.04 -3.93 -0.41 0.00 0.00 0.00 0.00 53.44 49.15 1sij n ALA 896 Cb 0.58 -3.48 0.02 0.00 0.00 0.00 0.00 19.45 16.56 1sij n ALA 896 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sij n TYR 897 N 5.94 1.63 -0.19 0.00 0.53 -1.26 -4.74 117.16 119.07 1sij n TYR 897 Ca 0.51 0.51 0.00 0.00 -1.02 0.00 0.00 57.90 57.90 1sij n TYR 897 Cb 0.39 -2.29 0.09 0.00 -1.03 0.00 0.00 39.34 36.50 1sij n TYR 897 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 1sij h PRO 898 N 1.64 0.15 -0.40 -0.72 0.11 -1.85 0.11 132.00 131.03 1sij h PRO 898 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1sij h PRO 898 Cb 1.32 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1sij h PRO 898 CO 0.57 0.10 0.26 1.49 -0.21 0.00 0.00 178.00 180.21 1sij h GLU 899 N 0.15 0.51 -0.35 1.05 4.81 -1.87 0.24 114.58 119.12 1sij h GLU 899 Ca 0.30 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1sij h GLU 899 Cb 0.47 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1sij h GLU 899 CO -0.47 0.33 0.12 -0.22 -0.73 0.00 0.00 179.01 178.05 1sij h LYS 900 N 0.52 0.26 -0.29 1.92 3.64 -1.68 0.15 116.57 121.09 1sij h LYS 900 Ca 0.15 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sij h LYS 900 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1sij h LYS 900 CO -0.05 0.17 0.17 0.28 -2.27 0.00 0.00 179.45 177.76 1sij h VAL 901 N 0.27 1.11 -0.69 2.00 2.07 -0.46 -2.47 116.25 118.08 1sij h VAL 901 Ca 0.16 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1sij h VAL 901 Cb 0.14 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1sij h VAL 901 CO -0.17 0.11 0.32 -0.07 0.02 0.00 0.00 177.57 177.78 1sij h LEU 902 N 0.37 0.40 -1.02 2.57 3.38 0.03 0.13 115.31 121.17 1sij h LEU 902 Ca 0.10 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1sij h LEU 902 Cb 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1sij h LEU 902 CO -0.02 0.22 0.46 -0.33 0.09 0.00 0.00 178.44 178.86 1sij h GLU 903 N 0.55 1.14 -0.23 1.13 5.08 -0.49 -1.70 114.58 120.06 1sij h GLU 903 Ca 0.35 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.40 1sij h GLU 903 Cb 0.39 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1sij h GLU 903 CO -0.29 0.83 -0.57 0.00 -1.00 0.00 0.00 179.01 177.99 1sij h ALA 904 N 1.36 0.38 -0.72 3.43 0.00 -0.95 -2.59 119.26 120.17 1sij h ALA 904 Ca 0.29 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1sij h ALA 904 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1sij h ALA 904 CO -0.05 0.61 0.47 -0.07 0.00 0.00 0.00 179.25 180.21 1sij h LEU 905 N 0.54 0.58 -2.02 0.00 4.07 -0.30 -2.95 115.31 115.23 1sij h LEU 905 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1sij h LEU 905 Cb 1.18 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1sij h LEU 905 CO 0.12 0.36 0.00 0.29 -1.08 0.00 0.00 178.44 178.13 1sij n LYS 906 N -4.49 1.91 0.00 1.13 5.02 -0.68 -5.09 118.16 115.96 1sij n LYS 906 Ca 0.11 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 1sij n LYS 906 Cb 0.30 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1sij n LYS 906 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88