#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iok n ALA 3 N 0.00 -2.47 -2.76 0.00 0.00 -1.26 -4.80 120.51 109.21 1iok n ALA 3 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 1iok n ALA 3 Cb 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 1iok n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iok s LYS 4 N -0.75 0.69 -0.25 0.00 1.02 -1.26 -2.07 119.74 117.12 1iok s LYS 4 Ca 0.47 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 1iok s LYS 4 Cb -0.62 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.08 1iok s LYS 4 CO 0.44 0.13 0.02 -1.21 -0.92 0.00 0.00 175.35 173.82 1iok s GLU 5 N -1.48 3.35 -0.30 1.68 0.41 0.95 -4.84 118.70 118.47 1iok s GLU 5 Ca -0.04 -0.67 -0.08 0.00 -0.41 0.00 0.00 54.97 53.77 1iok s GLU 5 Cb -0.09 -3.20 -0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1iok s GLU 5 CO 0.01 -0.28 0.12 0.08 -0.49 0.00 0.00 175.26 174.71 1iok s VAL 6 N 1.52 4.36 -0.12 2.63 1.01 -1.26 -1.64 120.40 126.89 1iok s VAL 6 Ca 0.05 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1iok s VAL 6 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1iok s VAL 6 CO 0.00 0.10 0.11 -0.54 0.00 0.00 0.00 175.10 174.77 1iok s LYS 7 N 1.57 3.43 0.45 2.72 1.02 -0.18 -4.94 119.74 123.83 1iok s LYS 7 Ca 0.04 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.88 1iok s LYS 7 Cb -0.17 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1iok s LYS 7 CO 0.05 0.70 0.13 -0.06 -0.92 0.00 0.00 175.35 175.24 1iok s PHE 8 N -0.81 2.28 0.00 3.18 0.08 -1.26 -0.48 117.98 120.97 1iok s PHE 8 Ca 0.13 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1iok s PHE 8 Cb -0.12 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 1iok s PHE 8 CO 0.03 0.17 0.00 -1.71 -0.10 0.00 0.00 175.22 173.61 1iok n ASN 9 N -1.25 0.00 -0.29 1.36 5.15 -0.24 -2.02 115.26 117.97 1iok n ASN 9 Ca -0.06 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.98 1iok n ASN 9 Cb 0.66 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 40.11 1iok n ASN 9 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1iok h SER 10 N 0.00 0.52 -0.88 1.20 4.64 -1.95 -0.59 113.55 116.50 1iok h SER 10 Ca 0.00 0.09 0.23 0.00 -0.47 0.00 0.00 61.79 61.64 1iok h SER 10 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1iok h SER 10 CO 0.00 0.24 0.61 -0.78 -0.87 0.00 0.00 176.83 176.02 1iok h ASP 11 N 0.63 0.17 0.89 4.97 -0.00 -1.91 0.44 116.42 121.60 1iok h ASP 11 Ca 0.44 0.02 -0.16 0.00 -0.00 0.00 0.00 57.03 57.33 1iok h ASP 11 Cb 0.59 -0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 39.88 1iok h ASP 11 CO -0.34 0.06 -1.20 0.00 -0.00 0.00 0.00 179.24 177.76 1iok h ALA 12 N 1.59 0.65 0.05 -0.78 0.00 -0.49 -3.33 119.26 116.95 1iok h ALA 12 Ca 0.44 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1iok h ALA 12 Cb 1.46 0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1iok h ALA 12 CO -0.08 0.91 -0.41 0.00 0.00 0.00 0.00 179.25 179.67 1iok h ARG 13 N 0.00 0.19 -0.68 0.00 3.08 -0.16 -3.02 114.38 113.79 1iok h ARG 13 Ca -0.12 -0.27 0.16 0.00 0.07 0.00 0.00 59.98 59.82 1iok h ARG 13 Cb 1.58 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.68 1iok h ARG 13 CO 0.06 1.08 0.47 -0.44 -1.07 0.00 0.00 179.97 180.06 1iok h ASP 14 N -0.57 0.19 0.09 7.04 3.32 -0.48 -0.52 116.42 125.49 1iok h ASP 14 Ca -0.07 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.74 1iok h ASP 14 Cb 1.27 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1iok h ASP 14 CO 0.08 0.10 -0.99 0.03 -1.72 0.00 0.00 179.24 176.74 1iok h ARG 15 N 0.20 0.63 -0.26 3.56 3.08 -1.66 -2.51 114.38 117.41 1iok h ARG 15 Ca 0.33 -0.65 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 1iok h ARG 15 Cb 1.00 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1iok h ARG 15 CO -0.06 1.25 0.04 0.52 -1.07 0.00 0.00 179.97 180.65 1iok h MET 16 N 0.36 0.43 -0.56 0.04 2.86 -1.11 -2.11 114.93 114.85 1iok h MET 16 Ca -0.11 -0.12 0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1iok h MET 16 Cb 1.63 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 33.21 1iok h MET 16 CO 0.19 0.55 0.38 1.25 1.06 0.00 0.00 176.91 180.34 1iok h LEU 17 N 0.24 0.27 -0.22 1.22 5.85 -1.15 -0.55 115.31 120.98 1iok h LEU 17 Ca 0.08 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1iok h LEU 17 Cb 0.33 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1iok h LEU 17 CO 0.01 0.16 -0.06 0.11 -0.34 0.00 0.00 178.44 178.31 1iok h LYS 18 N 0.30 0.43 0.00 1.25 1.57 -0.93 -0.77 116.57 118.41 1iok h LYS 18 Ca 0.26 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1iok h LYS 18 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1iok h LYS 18 CO -0.06 0.68 -0.34 0.78 -0.57 0.00 0.00 179.45 179.94 1iok h GLY 19 N 0.16 0.00 0.47 3.86 0.00 -0.71 -2.66 103.07 104.18 1iok h GLY 19 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1iok h GLY 19 CO 0.02 0.00 -0.41 -2.08 0.00 0.00 0.00 176.54 174.07 1iok h VAL 20 N 0.00 1.57 -0.57 4.60 2.07 -1.03 -3.02 116.25 119.87 1iok h VAL 20 Ca -0.00 -2.23 0.05 0.00 0.82 0.00 0.00 66.70 65.34 1iok h VAL 20 Cb 0.75 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.49 1iok h VAL 20 CO 0.04 0.61 0.38 0.78 0.02 0.00 0.00 177.57 179.41 1iok h ASN 21 N -0.51 0.51 0.05 0.57 2.35 -1.07 0.28 115.58 117.76 1iok h ASN 21 Ca -0.06 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1iok h ASN 21 Cb 1.24 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1iok h ASN 21 CO 0.08 0.34 -0.03 0.40 -1.65 0.00 0.00 177.43 176.57 1iok h ILE 22 N 0.58 1.18 -0.70 2.81 2.04 -1.56 0.13 117.51 122.00 1iok h ILE 22 Ca 0.24 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1iok h ILE 22 Cb 0.22 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1iok h ILE 22 CO -0.07 0.20 0.44 0.25 0.00 0.00 0.00 178.15 178.97 1iok h LEU 23 N -0.44 0.82 -0.38 1.44 5.85 -1.24 -1.81 115.31 119.55 1iok h LEU 23 Ca -0.01 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 1iok h LEU 23 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1iok h LEU 23 CO 0.01 0.62 -0.81 0.00 -0.34 0.00 0.00 178.44 177.92 1iok h ALA 24 N 1.24 0.61 0.00 1.25 0.00 -0.45 -2.95 119.26 118.95 1iok h ALA 24 Ca 0.25 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1iok h ALA 24 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1iok h ALA 24 CO -0.05 0.87 -0.39 -0.44 0.00 0.00 0.00 179.25 179.25 1iok h ASP 25 N 0.12 0.00 0.43 0.00 3.32 -0.49 -1.38 116.42 118.42 1iok h ASP 25 Ca -0.03 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.71 1iok h ASP 25 Cb 1.40 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.96 1iok h ASP 25 CO 0.12 0.39 -1.47 0.00 -1.72 0.00 0.00 179.24 176.56 1iok h ALA 26 N 1.61 0.11 0.15 3.45 0.00 -1.36 -3.35 119.26 119.88 1iok h ALA 26 Ca -0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 54.91 53.69 1iok h ALA 26 Cb 1.04 0.20 0.03 0.00 0.00 0.00 0.00 17.79 19.06 1iok h ALA 26 CO 0.05 0.98 -0.97 0.28 0.00 0.00 0.00 179.25 179.59 1iok h VAL 27 N 0.09 1.44 0.00 0.00 2.07 -1.54 -3.34 116.25 114.97 1iok h VAL 27 Ca -0.23 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.77 1iok h VAL 27 Cb 2.05 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 34.89 1iok h VAL 27 CO 0.20 0.73 0.00 2.29 0.02 0.00 0.00 177.57 180.81 1iok n LYS 28 N -4.02 0.06 0.22 1.57 2.85 -0.52 -1.53 118.16 116.78 1iok n LYS 28 Ca -0.14 0.44 0.14 0.00 -1.05 0.00 0.00 58.31 57.70 1iok n LYS 28 Cb 0.88 -1.66 0.46 0.00 -0.65 0.00 0.00 35.03 34.06 1iok n LYS 28 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1iok h VAL 29 N 0.00 0.00 -2.05 0.58 -1.51 -1.69 -3.23 116.25 108.36 1iok h VAL 29 Ca 0.00 -0.63 -0.76 0.00 -1.23 0.00 0.00 66.70 64.08 1iok h VAL 29 Cb 0.14 1.59 -0.29 0.00 -2.13 0.00 0.00 31.29 30.60 1iok h VAL 29 CO 0.00 0.00 0.85 0.35 -1.23 0.00 0.00 177.57 177.54 1iok n THR 30 N -2.88 4.21 -4.86 7.19 -2.24 -0.58 -1.42 114.28 113.70 1iok n THR 30 Ca 0.03 -4.89 -0.28 0.00 -2.27 0.00 0.00 64.05 56.64 1iok n THR 30 Cb 0.38 -1.34 -0.17 0.00 -2.10 0.00 0.00 70.33 67.11 1iok n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1iok s LEU 31 N -4.09 1.84 0.00 3.22 2.96 -1.22 -4.47 118.68 116.92 1iok s LEU 31 Ca 0.48 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1iok s LEU 31 Cb 0.36 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1iok s LEU 31 CO -0.31 0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1iok n GLY 32 N 3.68 -2.81 0.25 7.98 0.00 -1.26 -4.10 105.19 108.94 1iok n GLY 32 Ca -0.21 -1.90 0.16 0.00 0.00 0.00 0.00 46.02 44.07 1iok n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iok h PRO 33 N 0.00 0.00 -0.78 1.61 0.13 -1.92 -3.13 132.00 127.92 1iok h PRO 33 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1iok h PRO 33 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 1iok h PRO 33 CO 0.00 0.00 -0.20 1.63 -0.23 0.00 0.00 178.00 179.20 1iok n LYS 34 N -2.98 3.10 -1.70 0.86 4.76 -1.26 -5.01 118.16 115.93 1iok n LYS 34 Ca 0.01 -3.77 -0.35 0.00 -2.87 0.00 0.00 58.31 51.33 1iok n LYS 34 Cb 0.32 -2.22 0.06 0.00 -1.84 0.00 0.00 35.03 31.35 1iok n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1iok s GLY 35 N -2.92 2.45 0.24 0.72 0.00 -1.19 -4.44 107.32 102.19 1iok s GLY 35 Ca 0.55 0.86 0.06 0.00 0.00 0.00 0.00 44.72 46.19 1iok s GLY 35 CO 0.02 1.25 0.26 0.50 0.00 0.00 0.00 173.10 175.13 1iok s ARG 36 N -3.74 3.13 0.63 2.90 3.00 -0.51 -4.95 118.95 119.41 1iok s ARG 36 Ca 0.74 -0.93 -0.08 0.00 0.00 0.00 0.00 55.73 55.46 1iok s ARG 36 Cb -0.28 -2.70 0.01 0.00 0.00 0.00 0.00 34.95 31.98 1iok s ARG 36 CO 0.40 0.42 0.98 -0.80 0.00 0.00 0.00 175.30 176.30 1iok s ASN 37 N -3.84 5.57 -0.18 0.23 0.01 -1.26 -4.14 114.94 111.32 1iok s ASN 37 Ca 0.33 0.90 -0.02 0.00 -0.71 0.00 0.00 52.86 53.36 1iok s ASN 37 Cb -0.08 -1.83 0.05 0.00 0.41 0.00 0.00 41.25 39.80 1iok s ASN 37 CO 0.26 -1.15 0.00 -0.69 -1.51 0.00 0.00 177.10 174.02 1iok s VAL 38 N -3.13 0.76 -0.00 1.60 1.01 0.68 -4.97 120.40 116.35 1iok s VAL 38 Ca 0.55 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1iok s VAL 38 Cb -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1iok s VAL 38 CO 0.48 -0.06 0.90 -0.69 0.00 0.00 0.00 175.10 175.72 1iok s VAL 39 N 1.76 4.87 -0.20 2.92 1.01 -1.26 -2.16 120.40 127.34 1iok s VAL 39 Ca -0.00 1.89 0.01 0.00 0.00 0.00 0.00 61.98 63.87 1iok s VAL 39 Cb -0.16 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1iok s VAL 39 CO -0.07 0.21 -0.16 -0.63 0.00 0.00 0.00 175.10 174.44 1iok s ILE 40 N 0.81 2.26 0.06 2.22 1.01 0.15 -4.96 121.20 122.75 1iok s ILE 40 Ca 0.47 -0.99 -0.31 0.00 0.00 0.00 0.00 60.65 59.82 1iok s ILE 40 Cb -0.20 -2.02 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1iok s ILE 40 CO 0.25 0.44 1.90 -0.67 0.00 0.00 0.00 174.94 176.86 1iok n ASP 41 N 4.62 4.00 -4.65 3.58 2.03 -1.26 -0.52 116.55 124.35 1iok n ASP 41 Ca -0.20 0.95 -0.35 0.00 0.52 0.00 0.00 54.79 55.71 1iok n ASP 41 Cb 0.49 -1.51 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 1iok n ASP 41 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1iok s LYS 42 N 3.64 4.03 0.00 -0.67 -0.14 -1.26 -4.88 119.74 120.46 1iok s LYS 42 Ca 0.86 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1iok s LYS 42 Cb -0.49 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.29 1iok s LYS 42 CO 0.41 0.18 0.69 0.43 -0.76 0.00 0.00 175.35 176.31 1iok n SER 43 N 3.86 0.00 -3.51 2.83 7.64 -1.26 -4.32 113.62 118.86 1iok n SER 43 Ca -0.16 0.23 -0.06 0.00 1.01 0.00 0.00 58.87 59.90 1iok n SER 43 Cb 0.52 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1iok n SER 43 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iok s PHE 44 N -2.38 -1.00 0.00 1.43 -0.12 -1.26 -5.12 117.98 109.52 1iok s PHE 44 Ca 0.00 1.49 0.00 0.00 -0.05 0.00 0.00 56.93 58.37 1iok s PHE 44 Cb 0.00 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1iok s PHE 44 CO 0.00 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 174.95 1iok n GLY 45 N 5.40 0.57 3.91 1.99 0.00 -1.26 -4.95 105.19 110.85 1iok n GLY 45 Ca -0.07 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 1iok n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iok s ALA 46 N -1.94 3.56 0.70 4.61 0.00 -1.26 -4.88 121.76 122.55 1iok s ALA 46 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1iok s ALA 46 Cb 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1iok s ALA 46 CO 0.00 0.08 1.13 -1.25 0.00 0.00 0.00 175.76 175.71 1iok s PRO 47 N -3.88 2.51 -0.22 0.00 0.04 -1.26 -4.52 135.00 127.67 1iok s PRO 47 Ca 0.45 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 1iok s PRO 47 Cb -0.10 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1iok s PRO 47 CO 0.33 -1.48 0.68 0.50 0.04 0.00 0.00 177.00 177.07 1iok s ARG 48 N -4.22 4.18 -0.29 4.56 3.52 0.32 -4.87 118.95 122.16 1iok s ARG 48 Ca 0.67 0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 56.84 1iok s ARG 48 Cb -0.22 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1iok s ARG 48 CO 0.45 -0.35 0.23 0.42 -0.81 0.00 0.00 175.30 175.24 1iok s ILE 49 N 2.28 5.28 0.11 4.11 1.01 -1.26 0.30 121.20 133.03 1iok s ILE 49 Ca 0.30 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1iok s ILE 49 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1iok s ILE 49 CO 0.09 0.20 -0.04 0.28 0.00 0.00 0.00 174.94 175.47 1iok s THR 50 N 1.82 0.64 0.00 2.92 -1.32 -0.92 -4.96 115.64 113.82 1iok s THR 50 Ca 0.08 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 1iok s THR 50 Cb -0.16 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1iok s THR 50 CO 0.11 -0.77 0.04 0.29 -2.21 0.00 0.00 174.62 172.07 1iok n LYS 51 N -0.08 3.81 -2.25 7.08 5.02 -1.26 -0.23 118.16 130.25 1iok n LYS 51 Ca -0.11 -0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.75 1iok n LYS 51 Cb 0.61 -0.37 -0.03 0.00 -0.02 0.00 0.00 35.03 35.22 1iok n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iok s ASP 52 N -0.55 5.66 0.00 4.39 2.15 -1.26 -4.73 116.67 122.32 1iok s ASP 52 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1iok s ASP 52 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1iok s ASP 52 CO 0.00 -2.13 0.78 0.61 -0.17 0.00 0.00 175.17 174.26 1iok n GLY 53 N 5.55 -0.30 0.08 2.66 0.00 -1.26 -1.29 105.19 110.63 1iok n GLY 53 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1iok n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iok h VAL 54 N 0.00 1.00 0.00 1.61 2.07 -1.95 -3.13 116.25 115.85 1iok h VAL 54 Ca 0.00 -2.80 -0.08 0.00 0.82 0.00 0.00 66.70 64.64 1iok h VAL 54 Cb 0.22 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1iok h VAL 54 CO 0.00 0.63 -0.37 0.28 0.02 0.00 0.00 177.57 178.13 1iok h SER 55 N 0.01 0.00 0.02 0.57 0.02 -1.61 -3.12 113.55 109.44 1iok h SER 55 Ca -0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1iok h SER 55 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1iok h SER 55 CO 0.10 0.37 -0.01 0.58 -1.14 0.00 0.00 176.83 176.73 1iok h VAL 56 N 0.00 1.47 -1.00 2.27 2.07 -1.65 -3.18 116.25 116.23 1iok h VAL 56 Ca -0.00 -1.61 0.22 0.00 0.82 0.00 0.00 66.70 66.13 1iok h VAL 56 Cb 1.07 2.53 -0.10 0.00 -1.52 0.00 0.00 31.29 33.28 1iok h VAL 56 CO 0.05 0.41 0.63 0.00 0.02 0.00 0.00 177.57 178.67 1iok h ALA 57 N 0.20 1.99 -0.26 1.67 0.00 -1.55 -0.66 119.26 120.66 1iok h ALA 57 Ca -0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1iok h ALA 57 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iok h ALA 57 CO 0.00 -0.37 -0.37 0.87 0.00 0.00 0.00 179.25 179.38 1iok h LYS 58 N 0.54 0.58 0.00 0.00 1.57 -1.59 -3.01 116.57 114.66 1iok h LYS 58 Ca 0.57 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1iok h LYS 58 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1iok h LYS 58 CO -0.32 0.86 0.00 0.93 -0.57 0.00 0.00 179.45 180.36 1iok h GLU 59 N 0.49 0.00 -6.31 3.15 4.39 -1.10 -3.44 114.58 111.76 1iok h GLU 59 Ca 0.05 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.18 1iok h GLU 59 Cb 0.87 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 1iok h GLU 59 CO 0.07 0.00 0.88 0.42 -1.16 0.00 0.00 179.01 179.23 1iok s ILE 60 N -3.43 4.40 -0.33 3.13 -1.09 -1.10 -4.95 121.20 117.84 1iok s ILE 60 Ca 0.04 1.61 0.03 0.00 -2.23 0.00 0.00 60.65 60.09 1iok s ILE 60 Cb 0.09 -4.32 0.16 0.00 -1.58 0.00 0.00 42.46 36.81 1iok s ILE 60 CO 0.46 -0.46 0.40 -0.70 -1.23 0.00 0.00 174.94 173.42 1iok s GLU 61 N 3.78 0.51 0.53 2.79 2.12 -1.26 -4.92 118.70 122.25 1iok s GLU 61 Ca 0.49 -0.25 -0.19 0.00 0.36 0.00 0.00 54.97 55.37 1iok s GLU 61 Cb -0.14 -0.44 -0.07 0.00 0.26 0.00 0.00 34.13 33.74 1iok s GLU 61 CO 0.17 -1.10 1.07 -0.51 -0.54 0.00 0.00 175.26 174.36 1iok s LEU 62 N 2.11 3.74 0.05 2.70 1.43 -1.26 -5.00 118.68 122.45 1iok s LEU 62 Ca 0.12 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 55.05 1iok s LEU 62 Cb -0.13 -4.56 -0.20 0.00 0.03 0.00 0.00 46.19 41.33 1iok s LEU 62 CO -0.20 -1.02 1.20 0.77 0.23 0.00 0.00 176.35 177.33 1iok h SER 63 N 1.20 0.71 -2.49 2.29 4.64 -2.00 -3.42 113.55 114.48 1iok h SER 63 Ca -0.49 -0.69 -0.58 0.00 -0.47 0.00 0.00 61.79 59.56 1iok h SER 63 Cb 1.23 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1iok h SER 63 CO 0.58 1.30 1.32 -0.62 -0.87 0.00 0.00 176.83 178.53 1iok s ASP 64 N -6.89 5.85 0.24 4.97 -1.08 -1.26 -4.88 116.67 113.62 1iok s ASP 64 Ca -0.12 1.55 0.01 0.00 -0.52 0.00 0.00 52.55 53.46 1iok s ASP 64 Cb 0.06 -2.52 0.57 0.00 -1.46 0.00 0.00 42.92 39.57 1iok s ASP 64 CO 0.86 -1.70 1.23 0.29 0.52 0.00 0.00 175.17 176.37 1iok n LYS 65 N 8.40 -0.06 0.03 4.34 4.76 -1.26 -0.90 118.16 133.47 1iok n LYS 65 Ca 0.24 1.18 -0.12 0.00 -2.87 0.00 0.00 58.31 56.74 1iok n LYS 65 Cb 0.46 -1.86 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 1iok n LYS 65 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1iok h PHE 66 N 0.00 -0.14 -0.91 2.13 0.04 -1.94 -2.66 116.94 113.46 1iok h PHE 66 Ca 0.46 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.37 1iok h PHE 66 Cb 0.93 0.05 -0.07 0.00 2.20 0.00 0.00 35.95 39.05 1iok h PHE 66 CO -0.43 0.35 0.58 0.93 -0.60 0.00 0.00 178.31 179.14 1iok h GLU 67 N -0.73 0.70 -0.19 1.51 5.08 -1.29 0.02 114.58 119.68 1iok h GLU 67 Ca -0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1iok h GLU 67 Cb 0.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1iok h GLU 67 CO 0.02 0.46 -0.24 -0.97 -1.00 0.00 0.00 179.01 177.29 1iok h ASN 68 N 0.72 0.34 -0.61 1.42 -0.73 -1.01 -2.77 115.58 112.95 1iok h ASN 68 Ca 0.46 -0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.46 1iok h ASN 68 Cb 0.71 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.18 1iok h ASN 68 CO -0.22 0.59 0.11 0.24 -0.37 0.00 0.00 177.43 177.79 1iok h MET 69 N 0.31 1.00 -0.15 6.67 2.86 -0.62 0.61 114.93 125.60 1iok h MET 69 Ca 0.05 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1iok h MET 69 Cb 0.60 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1iok h MET 69 CO 0.04 0.93 0.07 0.78 1.06 0.00 0.00 176.91 179.79 1iok h GLY 70 N 0.90 0.19 0.68 8.32 0.00 -1.28 -1.79 103.07 110.10 1iok h GLY 70 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1iok h GLY 70 CO 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 176.54 176.58 1iok h ALA 71 N 1.08 -0.03 -0.94 3.60 0.00 -1.21 -3.05 119.26 118.72 1iok h ALA 71 Ca 0.06 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1iok h ALA 71 Cb 0.02 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1iok h ALA 71 CO -0.05 -0.36 0.52 1.96 0.00 0.00 0.00 179.25 181.32 1iok h GLN 72 N -0.35 0.64 0.00 0.00 7.50 0.34 0.51 115.11 123.76 1iok h GLN 72 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1iok h GLN 72 Cb 0.33 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.71 1iok h GLN 72 CO 0.01 0.43 0.00 -1.33 -1.50 0.00 0.00 178.83 176.43 1iok n MET 73 N -4.84 0.00 -0.31 1.46 2.81 -0.68 -1.48 117.12 114.08 1iok n MET 73 Ca 0.21 0.41 0.03 0.00 -1.81 0.00 0.00 57.70 56.55 1iok n MET 73 Cb 0.54 -1.30 0.10 0.00 -0.71 0.00 0.00 33.22 31.85 1iok n MET 73 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1iok h VAL 74 N 0.00 0.13 -0.22 2.03 2.07 -1.45 0.77 116.25 119.57 1iok h VAL 74 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1iok h VAL 74 Cb 0.00 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1iok h VAL 74 CO 0.00 0.00 0.15 -0.09 0.02 0.00 0.00 177.57 177.65 1iok h ARG 75 N -0.01 0.04 0.12 1.57 9.65 -0.93 -1.24 114.38 123.58 1iok h ARG 75 Ca 0.40 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.28 1iok h ARG 75 Cb 0.63 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1iok h ARG 75 CO -0.89 0.03 -0.06 1.49 2.80 0.00 0.00 179.97 183.34 1iok h GLU 76 N 0.04 -0.16 0.89 0.20 4.57 0.17 -3.04 114.58 117.25 1iok h GLU 76 Ca 0.10 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1iok h GLU 76 Cb 0.36 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1iok h GLU 76 CO -0.01 0.32 -0.47 0.28 -1.18 0.00 0.00 179.01 177.95 1iok h VAL 77 N -0.86 0.05 0.00 0.32 2.07 -1.17 -1.74 116.25 114.91 1iok h VAL 77 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1iok h VAL 77 Cb 0.55 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1iok h VAL 77 CO 0.03 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.01 1iok h ALA 78 N -1.18 1.34 0.00 1.67 0.00 -1.38 0.88 119.26 120.59 1iok h ALA 78 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1iok h ALA 78 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1iok h ALA 78 CO 0.17 -0.34 -0.44 0.66 0.00 0.00 0.00 179.25 179.30 1iok h SER 79 N 0.00 0.00 1.42 0.00 4.64 -1.19 -3.03 113.55 115.39 1iok h SER 79 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1iok h SER 79 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1iok h SER 79 CO 0.00 0.39 -0.12 0.03 -0.87 0.00 0.00 176.83 176.26 1iok h ARG 80 N 0.00 0.00 0.00 4.77 3.08 0.93 -2.22 114.38 120.94 1iok h ARG 80 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iok h ARG 80 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1iok h ARG 80 CO 0.05 0.12 0.00 2.41 -1.07 0.00 0.00 179.97 181.48 1iok n THR 81 N -3.18 1.08 -0.09 2.04 -1.04 -1.14 -0.76 114.28 111.19 1iok n THR 81 Ca 0.02 0.27 0.06 0.00 -2.04 0.00 0.00 64.05 62.36 1iok n THR 81 Cb 0.47 -1.07 0.26 0.00 -1.82 0.00 0.00 70.33 68.18 1iok n THR 81 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1iok n ASN 82 N -1.46 3.78 0.20 8.00 5.15 -0.84 -3.93 115.26 126.18 1iok n ASN 82 Ca 0.03 -2.46 0.06 0.00 -0.60 0.00 0.00 54.58 51.62 1iok n ASN 82 Cb 0.13 -0.55 0.42 0.00 -0.53 0.00 0.00 39.78 39.25 1iok n ASN 82 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1iok h ASP 83 N 2.75 0.00 -0.42 1.20 3.58 -1.13 -1.59 116.42 120.80 1iok h ASP 83 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1iok h ASP 83 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1iok h ASP 83 CO 0.24 0.32 0.00 -1.84 -2.88 0.00 0.00 179.24 175.08 1iok n GLU 84 N -3.67 2.93 -3.09 0.28 0.00 -1.25 -5.04 120.64 110.80 1iok n GLU 84 Ca -0.01 -2.31 -0.00 0.00 0.00 0.00 0.00 57.16 54.84 1iok n GLU 84 Cb 0.43 -1.43 -0.00 0.00 0.00 0.00 0.00 31.44 30.44 1iok n GLU 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iok n ALA 85 N 0.63 -1.76 -3.81 -1.84 0.00 -0.60 -4.85 120.51 108.28 1iok n ALA 85 Ca 0.16 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.82 1iok n ALA 85 Cb 0.55 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 19.27 1iok n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 86 N 1.79 0.68 0.23 0.00 0.00 -1.26 -4.80 105.19 101.84 1iok n GLY 86 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1iok n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iok n ASP 87 N -1.25 0.11 -0.10 1.61 9.92 -1.26 -3.45 116.55 122.14 1iok n ASP 87 Ca -0.02 -0.49 -0.10 0.00 -0.53 0.00 0.00 54.79 53.64 1iok n ASP 87 Cb 0.53 -0.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.93 1iok n ASP 87 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1iok h GLY 88 N 1.71 0.49 0.03 0.44 0.00 -1.85 -2.20 103.07 101.70 1iok h GLY 88 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1iok h GLY 88 CO 0.00 0.27 -0.42 -0.84 0.00 0.00 0.00 176.54 175.55 1iok h THR 89 N 0.33 0.15 -0.38 4.70 2.02 -1.66 1.29 112.91 119.35 1iok h THR 89 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 1iok h THR 89 Cb 0.22 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1iok h THR 89 CO -0.00 0.00 0.17 0.74 0.37 0.00 0.00 175.52 176.80 1iok h THR 90 N -0.50 1.14 0.05 3.16 2.02 -1.84 -1.40 112.91 115.53 1iok h THR 90 Ca 0.07 -0.41 -0.28 0.00 0.77 0.00 0.00 66.41 66.57 1iok h THR 90 Cb 0.63 0.67 0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1iok h THR 90 CO -0.39 0.16 -1.11 0.74 0.37 0.00 0.00 175.52 175.29 1iok h THR 91 N 0.53 1.30 -0.57 3.16 2.02 -0.53 -0.87 112.91 117.95 1iok h THR 91 Ca 0.13 -2.37 0.05 0.00 0.77 0.00 0.00 66.41 64.99 1iok h THR 91 Cb 0.08 2.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.95 1iok h THR 91 CO -0.02 0.72 0.31 0.00 0.37 0.00 0.00 175.52 176.91 1iok h ALA 92 N 0.41 0.74 0.48 6.16 0.00 0.19 0.57 119.26 127.82 1iok h ALA 92 Ca -0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1iok h ALA 92 Cb 1.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1iok h ALA 92 CO 0.21 -0.02 -0.23 1.15 0.00 0.00 0.00 179.25 180.36 1iok h THR 93 N 0.59 0.49 -0.59 0.00 2.02 -1.24 0.94 112.91 115.12 1iok h THR 93 Ca 0.25 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 67.28 1iok h THR 93 Cb 0.13 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1iok h THR 93 CO -0.16 0.04 0.40 0.58 0.37 0.00 0.00 175.52 176.76 1iok h VAL 94 N -0.82 0.85 0.14 3.16 2.07 -0.95 -1.50 116.25 119.20 1iok h VAL 94 Ca -0.07 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1iok h VAL 94 Cb 0.57 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1iok h VAL 94 CO 0.11 0.06 -0.07 -0.07 0.02 0.00 0.00 177.57 177.62 1iok h LEU 95 N 0.32 -0.16 -0.66 2.57 3.38 -0.65 -3.11 115.31 117.01 1iok h LEU 95 Ca 0.28 -0.39 0.14 0.00 0.09 0.00 0.00 57.88 57.99 1iok h LEU 95 Cb 0.66 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 1iok h LEU 95 CO -0.07 0.41 0.04 0.00 0.09 0.00 0.00 178.44 178.91 1iok h ALA 96 N -0.21 0.70 -0.97 1.53 0.00 -0.38 0.74 119.26 120.66 1iok h ALA 96 Ca -0.02 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1iok h ALA 96 Cb 0.54 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1iok h ALA 96 CO 0.03 -0.38 0.62 0.37 0.00 0.00 0.00 179.25 179.89 1iok h GLN 97 N 0.15 1.00 0.00 0.00 4.15 -1.36 -0.68 115.11 118.37 1iok h GLN 97 Ca 0.35 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1iok h GLN 97 Cb 0.58 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1iok h GLN 97 CO -0.54 0.66 -0.00 0.00 -1.93 0.00 0.00 178.83 177.02 1iok h ALA 98 N 1.52 -0.00 0.27 3.38 0.00 -0.81 -2.04 119.26 121.56 1iok h ALA 98 Ca 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1iok h ALA 98 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1iok h ALA 98 CO -0.21 -0.27 -0.13 0.82 0.00 0.00 0.00 179.25 179.46 1iok h ILE 99 N -0.46 0.74 -0.31 0.00 2.04 -1.05 -2.48 117.51 115.99 1iok h ILE 99 Ca -0.00 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1iok h ILE 99 Cb 0.46 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1iok h ILE 99 CO 0.00 0.01 0.02 0.58 0.00 0.00 0.00 178.15 178.76 1iok h VAL 100 N -0.37 0.80 -0.61 1.67 2.07 -1.21 0.29 116.25 118.89 1iok h VAL 100 Ca -0.04 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1iok h VAL 100 Cb 0.28 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 1iok h VAL 100 CO 0.06 0.02 0.05 -0.09 0.02 0.00 0.00 177.57 177.63 1iok h ARG 101 N 0.12 0.16 -0.07 1.57 2.43 -1.26 -1.44 114.38 115.90 1iok h ARG 101 Ca 0.15 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.07 1iok h ARG 101 Cb 0.18 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1iok h ARG 101 CO -0.23 0.11 -0.88 0.93 -1.51 0.00 0.00 179.97 178.39 1iok h GLU 102 N 0.17 0.71 0.65 0.20 4.39 -0.95 -2.94 114.58 116.81 1iok h GLU 102 Ca 0.32 -0.68 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1iok h GLU 102 Cb 0.51 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1iok h GLU 102 CO -0.48 1.27 -0.51 0.78 -1.16 0.00 0.00 179.01 178.92 1iok h GLY 103 N 0.40 -1.32 0.61 -3.84 0.00 0.10 -0.47 103.07 98.54 1iok h GLY 103 Ca -0.09 0.58 0.10 0.00 0.00 0.00 0.00 47.33 47.91 1iok h GLY 103 CO 0.18 -0.42 0.64 1.41 0.00 0.00 0.00 176.54 178.35 1iok h LEU 104 N -1.12 0.96 -0.32 3.11 3.38 -1.41 0.42 115.31 120.33 1iok h LEU 104 Ca -0.09 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1iok h LEU 104 Cb 0.93 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1iok h LEU 104 CO 0.02 0.56 -0.13 0.11 0.09 0.00 0.00 178.44 179.09 1iok h LYS 105 N 1.06 -0.07 0.51 1.13 1.57 -1.25 0.17 116.57 119.69 1iok h LYS 105 Ca 0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1iok h LYS 105 Cb 0.35 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1iok h LYS 105 CO -0.22 -0.05 -0.24 0.00 -0.57 0.00 0.00 179.45 178.37 1iok h ALA 106 N 1.20 -0.68 -0.85 3.86 0.00 0.83 -2.62 119.26 121.00 1iok h ALA 106 Ca 0.16 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1iok h ALA 106 Cb 0.32 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.22 1iok h ALA 106 CO -0.37 -0.84 -0.07 0.28 0.00 0.00 0.00 179.25 178.25 1iok h VAL 107 N -0.76 0.19 -0.99 0.00 2.07 0.30 0.94 116.25 118.00 1iok h VAL 107 Ca -0.07 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.57 1iok h VAL 107 Cb 0.56 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1iok h VAL 107 CO 0.11 0.01 0.61 0.00 0.02 0.00 0.00 177.57 178.32 1iok h ALA 108 N 1.83 1.53 0.00 1.67 0.00 -0.39 0.33 119.26 124.22 1iok h ALA 108 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1iok h ALA 108 Cb 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1iok h ALA 108 CO -0.81 0.14 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1iok n ALA 109 N -2.35 2.26 0.00 0.00 0.00 0.32 -4.85 120.51 115.89 1iok n ALA 109 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1iok n ALA 109 Cb 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1iok n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 110 N 0.28 3.11 3.58 0.00 0.00 0.12 -5.06 105.19 107.22 1iok n GLY 110 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1iok n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iok n MET 111 N -1.35 1.24 -2.32 1.61 2.00 -1.20 -4.86 117.12 112.24 1iok n MET 111 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 57.70 57.72 1iok n MET 111 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 33.22 31.29 1iok n MET 111 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1iok s ASN 112 N -0.71 6.92 0.15 7.83 3.84 -1.26 -4.40 114.94 127.31 1iok s ASN 112 Ca 0.62 1.97 -0.16 0.00 0.21 0.00 0.00 52.86 55.50 1iok s ASN 112 Cb -0.61 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 37.56 1iok s ASN 112 CO 0.58 -0.68 1.80 1.55 -2.79 0.00 0.00 177.10 177.56 1iok h PRO 113 N 7.80 0.48 -0.83 0.43 0.13 -1.89 -1.98 132.00 136.15 1iok h PRO 113 Ca -0.35 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.85 1iok h PRO 113 Cb 1.17 -0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.11 1iok h PRO 113 CO 0.90 0.32 0.47 0.52 -0.23 0.00 0.00 178.00 179.98 1iok h MET 114 N 0.50 0.74 0.09 0.86 2.86 -1.92 0.31 114.93 118.37 1iok h MET 114 Ca 0.15 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1iok h MET 114 Cb -0.03 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1iok h MET 114 CO -0.05 0.49 -0.04 -0.44 1.06 0.00 0.00 176.91 177.92 1iok h ASP 115 N 0.76 -0.11 -0.74 1.22 3.32 -1.86 -1.66 116.42 117.35 1iok h ASP 115 Ca 0.41 -0.22 0.13 0.00 0.02 0.00 0.00 57.03 57.37 1iok h ASP 115 Cb 0.42 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 1iok h ASP 115 CO -0.27 0.17 0.31 -0.07 -1.72 0.00 0.00 179.24 177.66 1iok h LEU 116 N -0.38 0.32 -1.92 1.55 3.38 -0.68 0.80 115.31 118.39 1iok h LEU 116 Ca -0.01 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1iok h LEU 116 Cb 0.32 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1iok h LEU 116 CO 0.02 0.14 0.13 0.50 0.09 0.00 0.00 178.44 179.33 1iok h LYS 117 N 0.48 0.11 0.18 1.13 3.11 -0.13 0.10 116.57 121.55 1iok h LYS 117 Ca 0.40 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.22 1iok h LYS 117 Cb 0.56 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1iok h LYS 117 CO -0.37 0.07 -0.08 -0.09 -2.81 0.00 0.00 179.45 176.17 1iok h ARG 118 N 0.11 -0.23 -0.21 1.90 9.65 0.14 -1.83 114.38 123.91 1iok h ARG 118 Ca 0.09 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.04 1iok h ARG 118 Cb 0.20 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1iok h ARG 118 CO -0.01 0.09 0.27 0.78 2.80 0.00 0.00 179.97 183.90 1iok h GLY 119 N -0.98 0.00 1.04 2.80 0.00 -0.48 0.14 103.07 105.58 1iok h GLY 119 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.06 1iok h GLY 119 CO 0.04 0.00 -1.00 -2.22 0.00 0.00 0.00 176.54 173.36 1iok h ILE 120 N 0.00 1.35 -0.51 2.60 2.04 -0.78 -2.91 117.51 119.30 1iok h ILE 120 Ca 0.10 -2.35 -0.09 0.00 1.00 0.00 0.00 64.86 63.52 1iok h ILE 120 Cb 0.63 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 1iok h ILE 120 CO -0.00 0.70 -0.02 0.44 0.00 0.00 0.00 178.15 179.27 1iok h ASP 121 N 0.10 0.91 0.05 1.72 3.32 0.08 -2.43 116.42 120.16 1iok h ASP 121 Ca -0.15 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1iok h ASP 121 Cb 1.71 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1iok h ASP 121 CO 0.19 1.01 -0.02 0.58 -1.72 0.00 0.00 179.24 179.28 1iok h VAL 122 N 0.79 0.00 -1.21 -1.35 2.07 -1.17 -2.38 116.25 113.00 1iok h VAL 122 Ca 0.14 -0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.08 1iok h VAL 122 Cb 0.56 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 1iok h VAL 122 CO 0.03 0.00 0.74 0.00 0.02 0.00 0.00 177.57 178.36 1iok h ALA 123 N -1.97 2.50 -0.17 1.67 0.00 -1.60 0.34 119.26 120.05 1iok h ALA 123 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1iok h ALA 123 Cb 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1iok h ALA 123 CO 0.01 -1.17 -0.01 1.15 0.00 0.00 0.00 179.25 179.23 1iok h THR 124 N 0.10 1.26 -0.70 0.00 2.02 -1.34 -2.67 112.91 111.58 1iok h THR 124 Ca 0.82 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1iok h THR 124 Cb 2.38 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 70.28 1iok h THR 124 CO -0.53 0.27 0.44 0.00 0.37 0.00 0.00 175.52 176.07 1iok h ALA 125 N 0.75 0.91 -0.44 6.16 0.00 0.20 0.28 119.26 127.12 1iok h ALA 125 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1iok h ALA 125 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1iok h ALA 125 CO 0.01 0.22 0.30 0.87 0.00 0.00 0.00 179.25 180.65 1iok h LYS 126 N 0.86 0.35 0.15 0.00 1.79 -1.29 -1.99 116.57 116.44 1iok h LYS 126 Ca 0.28 -0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 58.39 1iok h LYS 126 Cb 0.01 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1iok h LYS 126 CO -0.11 0.23 -1.74 0.28 -1.08 0.00 0.00 179.45 177.03 1iok h VAL 127 N 0.36 0.87 0.00 0.50 2.07 -0.97 -2.18 116.25 116.90 1iok h VAL 127 Ca 0.19 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1iok h VAL 127 Cb 0.30 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1iok h VAL 127 CO -0.04 0.83 0.10 0.58 0.02 0.00 0.00 177.57 179.06 1iok h VAL 128 N -0.01 0.00 0.00 2.57 2.07 -0.15 -1.16 116.25 119.57 1iok h VAL 128 Ca -0.36 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 1iok h VAL 128 Cb 2.00 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1iok h VAL 128 CO 0.12 0.00 -1.22 1.21 0.02 0.00 0.00 177.57 177.70 1iok n GLU 129 N -2.73 0.53 0.14 1.57 2.13 -0.78 -3.86 120.64 117.64 1iok n GLU 129 Ca -0.02 0.46 0.07 0.00 0.66 0.00 0.00 57.16 58.33 1iok n GLU 129 Cb 0.15 -1.64 0.37 0.00 0.27 0.00 0.00 31.44 30.59 1iok n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iok n ALA 130 N -3.77 0.74 -0.06 4.31 0.00 -0.82 -1.16 120.51 119.75 1iok n ALA 130 Ca -0.26 0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1iok n ALA 130 Cb 0.57 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 1iok n ALA 130 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1iok h ILE 131 N 0.00 0.51 -0.48 0.00 2.04 -1.39 -3.36 117.51 114.82 1iok h ILE 131 Ca 0.00 -1.43 0.09 0.00 1.00 0.00 0.00 64.86 64.52 1iok h ILE 131 Cb 0.40 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 1iok h ILE 131 CO 0.00 0.17 -0.04 0.11 0.00 0.00 0.00 178.15 178.39 1iok h LYS 132 N -1.00 0.07 -2.22 2.37 1.79 -1.25 -1.02 116.57 115.32 1iok h LYS 132 Ca -0.04 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1iok h LYS 132 Cb 0.47 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 1iok h LYS 132 CO -0.02 0.05 -0.03 -1.13 -1.08 0.00 0.00 179.45 177.23 1iok n SER 133 N -5.27 3.29 0.00 0.86 3.41 -0.40 -1.61 113.62 113.90 1iok n SER 133 Ca 0.05 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1iok n SER 133 Cb 0.26 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1iok n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iok n ALA 134 N 2.27 0.26 -2.67 7.33 0.00 -0.40 -4.94 120.51 122.35 1iok n ALA 134 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1iok n ALA 134 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1iok n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iok s ALA 135 N 0.00 3.57 0.17 0.00 0.00 -0.64 -4.89 121.76 119.98 1iok s ALA 135 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1iok s ALA 135 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 1iok s ALA 135 CO 0.00 -0.23 1.27 1.03 0.00 0.00 0.00 175.76 177.83 1iok s ARG 136 N 1.16 4.42 0.77 0.00 0.52 -0.25 -4.69 118.95 120.87 1iok s ARG 136 Ca 0.16 1.97 -0.11 0.00 -0.52 0.00 0.00 55.73 57.24 1iok s ARG 136 Cb -0.14 -3.23 0.05 0.00 0.52 0.00 0.00 34.95 32.15 1iok s ARG 136 CO 0.07 -0.23 1.09 -2.14 0.02 0.00 0.00 175.30 174.11 1iok s PRO 137 N 0.11 2.34 -0.32 3.54 0.02 -1.26 -0.57 135.00 138.86 1iok s PRO 137 Ca 0.57 0.73 -0.02 0.00 0.02 0.00 0.00 61.00 62.30 1iok s PRO 137 Cb -0.35 -1.94 0.11 0.00 0.02 0.00 0.00 34.50 32.35 1iok s PRO 137 CO 0.36 -1.46 0.15 0.08 -0.33 0.00 0.00 177.00 175.80 1iok s VAL 138 N -3.12 0.31 0.00 3.83 1.01 -1.26 -4.83 120.40 116.34 1iok s VAL 138 Ca 0.60 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1iok s VAL 138 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1iok s VAL 138 CO 0.54 -0.80 0.00 -0.46 0.00 0.00 0.00 175.10 174.38 1iok n ASN 139 N 4.70 1.01 -4.68 3.32 2.04 -1.26 -4.54 115.26 115.85 1iok n ASN 139 Ca 0.01 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.80 1iok n ASN 139 Cb 0.40 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.75 1iok n ASN 139 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1iok n ASP 140 N -2.72 1.18 0.01 0.53 4.64 -1.26 -4.77 116.55 114.16 1iok n ASP 140 Ca 0.00 0.69 0.12 0.00 -1.38 0.00 0.00 54.79 54.22 1iok n ASP 140 Cb 0.41 -1.49 0.51 0.00 -1.04 0.00 0.00 41.12 39.51 1iok n ASP 140 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1iok n SER 141 N -2.35 0.07 0.04 1.67 7.64 -1.26 -1.01 113.62 118.41 1iok n SER 141 Ca 0.14 0.51 -0.07 0.00 1.01 0.00 0.00 58.87 60.46 1iok n SER 141 Cb 0.49 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 63.04 1iok n SER 141 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1iok h SER 142 N 0.00 0.00 0.00 6.43 4.64 -1.97 -2.88 113.55 119.77 1iok h SER 142 Ca 0.00 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1iok h SER 142 Cb 0.44 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1iok h SER 142 CO 0.00 1.00 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.23 1iok h GLU 143 N 0.00 0.00 0.00 4.77 5.08 -1.83 -2.92 114.58 119.68 1iok h GLU 143 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1iok h GLU 143 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1iok h GLU 143 CO 0.12 0.63 0.18 0.28 -1.00 0.00 0.00 179.01 179.22 1iok h VAL 144 N -1.00 0.00 0.00 3.13 2.07 -1.22 0.70 116.25 119.93 1iok h VAL 144 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1iok h VAL 144 Cb 0.79 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1iok h VAL 144 CO -0.06 0.00 -1.47 0.00 0.02 0.00 0.00 177.57 176.07 1iok n ALA 145 N -1.79 3.31 0.01 1.67 0.00 -1.09 -2.89 120.51 119.73 1iok n ALA 145 Ca -0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1iok n ALA 145 Cb 0.22 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 1iok n ALA 145 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1iok h GLN 146 N 0.00 0.07 0.00 0.00 5.75 0.48 -2.91 115.11 118.51 1iok h GLN 146 Ca 0.00 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1iok h GLN 146 Cb 0.84 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 1iok h GLN 146 CO 0.00 0.76 -0.39 0.28 -2.65 0.00 0.00 178.83 176.83 1iok h VAL 147 N 0.02 0.32 0.00 2.39 2.07 -1.03 -2.47 116.25 117.55 1iok h VAL 147 Ca -0.26 -1.47 -0.20 0.00 0.82 0.00 0.00 66.70 65.60 1iok h VAL 147 Cb 1.98 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 33.80 1iok h VAL 147 CO 0.10 0.18 -0.94 1.23 0.02 0.00 0.00 177.57 178.17 1iok h GLY 148 N 3.81 0.00 0.04 2.17 0.00 -1.59 -2.89 103.07 104.61 1iok h GLY 148 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1iok h GLY 148 CO 0.02 0.00 -0.00 -0.84 0.00 0.00 0.00 176.54 175.72 1iok h THR 149 N 0.00 1.58 -0.71 4.70 2.02 -1.49 -3.26 112.91 115.75 1iok h THR 149 Ca -0.01 -2.13 0.10 0.00 0.77 0.00 0.00 66.41 65.14 1iok h THR 149 Cb 1.68 2.96 -0.07 0.00 -1.74 0.00 0.00 68.15 70.98 1iok h THR 149 CO 0.12 0.53 0.35 0.40 0.37 0.00 0.00 175.52 177.28 1iok h ILE 150 N -0.97 0.83 0.00 3.11 2.04 -1.57 0.61 117.51 121.57 1iok h ILE 150 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1iok h ILE 150 Cb 0.87 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1iok h ILE 150 CO 0.00 0.11 0.00 -1.20 0.00 0.00 0.00 178.15 177.06 1iok n SER 151 N -4.88 0.00 -0.43 1.72 7.64 -1.09 -1.38 113.62 115.20 1iok n SER 151 Ca 0.11 -0.11 0.07 0.00 1.01 0.00 0.00 58.87 59.96 1iok n SER 151 Cb 0.28 -0.12 0.17 0.00 -1.01 0.00 0.00 64.21 63.53 1iok n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iok n ALA 152 N -1.12 3.01 -1.43 -0.43 0.00 0.21 -4.25 120.51 116.49 1iok n ALA 152 Ca 0.06 -2.93 -0.15 0.00 0.00 0.00 0.00 53.44 50.42 1iok n ALA 152 Cb 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 1iok n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iok n ASN 153 N -1.14 -5.38 0.00 0.00 5.03 -0.48 -2.42 115.26 110.88 1iok n ASN 153 Ca 0.17 0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.99 1iok n ASN 153 Cb 0.69 -4.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.09 1iok n ASN 153 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iok n GLY 154 N -0.06 1.09 3.58 7.41 0.00 -0.84 -5.01 105.19 111.36 1iok n GLY 154 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1iok n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iok s GLU 155 N -0.32 3.07 0.57 1.61 0.41 -1.01 -4.74 118.70 118.28 1iok s GLU 155 Ca 0.00 -1.40 0.30 0.00 -0.41 0.00 0.00 54.97 53.46 1iok s GLU 155 Cb 0.00 -5.34 1.62 0.00 -1.78 0.00 0.00 34.13 28.63 1iok s GLU 155 CO 0.00 -3.27 1.89 0.66 -0.49 0.00 0.00 175.26 174.06 1iok h SER 156 N 9.09 0.00 -0.22 -0.19 4.64 -1.91 0.31 113.55 125.27 1iok h SER 156 Ca 0.29 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 1iok h SER 156 Cb 0.92 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1iok h SER 156 CO 1.31 0.00 -0.64 0.15 -0.87 0.00 0.00 176.83 176.78 1iok h PHE 157 N 0.00 1.06 0.00 4.77 3.57 -1.98 -3.08 116.94 121.28 1iok h PHE 157 Ca 0.00 -0.42 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 1iok h PHE 157 Cb 0.43 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1iok h PHE 157 CO 0.00 1.25 -0.50 0.82 -2.23 0.00 0.00 178.31 177.65 1iok h ILE 158 N 0.57 0.85 -0.47 1.41 2.04 -1.31 -2.38 117.51 118.22 1iok h ILE 158 Ca -0.02 -2.20 -0.06 0.00 1.00 0.00 0.00 64.86 63.58 1iok h ILE 158 Cb 1.26 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 39.74 1iok h ILE 158 CO 0.14 0.49 0.04 1.23 0.00 0.00 0.00 178.15 180.04 1iok h GLY 159 N 3.49 0.80 1.21 5.37 0.00 -1.37 -2.06 103.07 110.51 1iok h GLY 159 Ca -0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 47.33 46.51 1iok h GLY 159 CO 0.06 0.46 -1.54 -1.61 0.00 0.00 0.00 176.54 173.92 1iok h GLN 160 N 0.70 0.38 -0.60 4.80 -0.00 -1.55 -2.94 115.11 115.90 1iok h GLN 160 Ca 0.15 -0.66 0.09 0.00 -0.00 0.00 0.00 58.65 58.23 1iok h GLN 160 Cb 0.37 0.24 -0.07 0.00 0.00 0.00 0.00 27.48 28.03 1iok h GLN 160 CO 0.01 1.29 0.22 0.37 0.00 0.00 0.00 178.83 180.72 1iok h GLN 161 N 0.10 0.39 -0.13 1.69 5.75 -1.24 0.11 115.11 121.78 1iok h GLN 161 Ca -0.26 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1iok h GLN 161 Cb 2.08 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.55 1iok h GLN 161 CO 0.21 0.26 -0.35 0.82 -2.65 0.00 0.00 178.83 177.11 1iok h ILE 162 N 0.40 1.37 -1.00 2.39 2.04 -1.50 -2.90 117.51 118.31 1iok h ILE 162 Ca 0.30 -1.65 0.15 0.00 1.00 0.00 0.00 64.86 64.67 1iok h ILE 162 Cb 0.38 2.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.44 1iok h ILE 162 CO -0.31 0.49 0.62 0.00 0.00 0.00 0.00 178.15 178.96 1iok h ALA 163 N 0.52 1.62 0.66 1.87 0.00 -1.22 -0.08 119.26 122.64 1iok h ALA 163 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1iok h ALA 163 Cb 0.97 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1iok h ALA 163 CO 0.08 0.09 -0.32 1.49 0.00 0.00 0.00 179.25 180.58 1iok h GLU 164 N 0.88 -0.86 -1.03 0.00 4.57 -0.74 0.11 114.58 117.51 1iok h GLU 164 Ca 0.53 0.06 0.26 0.00 -1.18 0.00 0.00 59.36 59.02 1iok h GLU 164 Cb 0.68 0.20 -0.10 0.00 -0.16 0.00 0.00 28.75 29.36 1iok h GLU 164 CO -0.30 -0.57 0.65 0.00 -1.18 0.00 0.00 179.01 177.61 1iok h ALA 165 N -1.57 2.13 -0.28 2.92 0.00 -1.23 0.24 119.26 121.47 1iok h ALA 165 Ca -0.09 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1iok h ALA 165 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1iok h ALA 165 CO 0.15 -0.55 -0.52 1.98 0.00 0.00 0.00 179.25 180.31 1iok h MET 166 N 0.44 0.86 -0.38 0.00 4.05 -0.81 -2.65 114.93 116.43 1iok h MET 166 Ca 0.61 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1iok h MET 166 Cb 1.44 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.30 1iok h MET 166 CO -0.33 1.18 0.00 0.94 0.23 0.00 0.00 176.91 178.92 1iok n GLN 167 N -4.04 0.91 0.00 0.39 7.27 0.79 -0.48 117.38 122.22 1iok n GLN 167 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1iok n GLN 167 Cb 0.62 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 32.07 1iok n GLN 167 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1iok n ARG 168 N -0.27 1.22 -0.96 3.69 3.00 -0.80 -4.76 116.66 117.78 1iok n ARG 168 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1iok n ARG 168 Cb 0.10 -0.95 0.05 0.00 0.00 0.00 0.00 32.46 31.65 1iok n ARG 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1iok n VAL 169 N -1.47 0.41 -0.51 5.15 0.31 -1.03 -5.00 118.33 116.20 1iok n VAL 169 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 64.34 63.29 1iok n VAL 169 Cb 0.10 0.59 -0.00 0.00 -0.91 0.00 0.00 33.84 33.62 1iok n VAL 169 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iok n GLY 170 N -0.01 -3.19 0.35 2.92 0.00 0.37 -2.86 105.19 102.78 1iok n GLY 170 Ca 0.06 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 45.09 1iok n GLY 170 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iok h ASN 171 N 0.02 0.00 -1.73 1.61 2.35 -1.95 -1.67 115.58 114.21 1iok h ASN 171 Ca -0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.19 1iok h ASN 171 Cb 0.32 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.28 1iok h ASN 171 CO 0.00 0.00 -0.80 -0.62 -1.65 0.00 0.00 177.43 174.36 1iok n GLU 172 N -3.14 2.89 0.00 0.81 -0.58 -1.26 -4.97 120.64 114.38 1iok n GLU 172 Ca 0.00 -4.37 0.00 0.00 -0.42 0.00 0.00 57.16 52.37 1iok n GLU 172 Cb 0.42 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 1iok n GLU 172 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iok n GLY 173 N -0.30 1.54 2.51 0.62 0.00 -0.63 -5.08 105.19 103.85 1iok n GLY 173 Ca 0.32 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 1iok n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iok s VAL 174 N 3.24 0.06 0.37 1.61 0.11 -1.26 -5.08 120.40 119.46 1iok s VAL 174 Ca 0.00 -1.83 -0.07 0.00 -2.93 0.00 0.00 61.98 57.15 1iok s VAL 174 Cb 0.00 -1.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1iok s VAL 174 CO 0.00 -0.95 0.68 -0.63 -3.33 0.00 0.00 175.10 170.86 1iok s ILE 175 N 0.82 4.92 -0.42 7.04 1.01 -1.26 -2.89 121.20 130.43 1iok s ILE 175 Ca 0.23 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.18 1iok s ILE 175 Cb -0.13 -3.77 0.17 0.00 0.01 0.00 0.00 42.46 38.74 1iok s ILE 175 CO -0.06 -0.52 0.49 -0.89 0.00 0.00 0.00 174.94 173.96 1iok s THR 176 N -2.34 -0.49 0.29 2.92 2.01 -1.11 -4.97 115.64 111.95 1iok s THR 176 Ca 0.47 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1iok s THR 176 Cb -0.10 -0.49 -0.11 0.00 0.01 0.00 0.00 72.50 71.80 1iok s THR 176 CO 0.34 -0.46 1.61 0.54 -0.69 0.00 0.00 174.62 175.97 1iok s VAL 177 N 1.18 2.02 0.05 3.82 0.11 -1.26 -3.74 120.40 122.57 1iok s VAL 177 Ca 0.22 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1iok s VAL 177 Cb -0.07 -3.01 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1iok s VAL 177 CO -0.06 0.00 0.08 -1.61 -3.33 0.00 0.00 175.10 170.18 1iok s GLU 178 N -0.43 0.61 0.51 1.54 2.02 0.14 -4.91 118.70 118.18 1iok s GLU 178 Ca 0.64 -0.85 -0.18 0.00 0.02 0.00 0.00 54.97 54.59 1iok s GLU 178 Cb -0.48 0.24 -0.08 0.00 0.10 0.00 0.00 34.13 33.91 1iok s GLU 178 CO 0.48 -0.15 1.01 -1.21 0.02 0.00 0.00 175.26 175.40 1iok s GLU 179 N -2.95 3.81 0.00 1.61 2.02 -1.26 -0.09 118.70 121.84 1iok s GLU 179 Ca -0.02 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1iok s GLU 179 Cb 0.01 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1iok s GLU 179 CO -0.06 -0.40 0.00 -1.71 0.02 0.00 0.00 175.26 173.11 1iok n ASN 180 N -1.30 0.00 0.00 -0.19 5.15 0.14 -4.75 115.26 114.31 1iok n ASN 180 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1iok n ASN 180 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1iok n ASN 180 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1iok n LYS 181 N 0.00 0.00 -0.15 1.20 4.76 -1.26 -4.96 118.16 117.75 1iok n LYS 181 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1iok n LYS 181 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1iok n LYS 181 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iok n GLY 182 N 3.72 -1.35 2.37 0.72 0.00 -1.26 -4.50 105.19 104.89 1iok n GLY 182 Ca 0.00 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1iok n GLY 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iok n MET 183 N -1.31 3.41 -3.83 1.61 2.81 -0.75 -3.11 117.12 115.94 1iok n MET 183 Ca 0.01 -2.07 -0.24 0.00 -1.81 0.00 0.00 57.70 53.59 1iok n MET 183 Cb 0.05 -2.74 -0.17 0.00 -0.71 0.00 0.00 33.22 29.64 1iok n MET 183 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1iok s GLU 184 N 2.41 0.87 -0.19 0.03 1.03 -1.26 -4.83 118.70 116.75 1iok s GLU 184 Ca 0.64 -0.00 -0.05 0.00 0.03 0.00 0.00 54.97 55.59 1iok s GLU 184 Cb 0.17 -1.13 -0.03 0.00 -0.80 0.00 0.00 34.13 32.33 1iok s GLU 184 CO -0.06 -0.28 0.01 0.99 -1.33 0.00 0.00 175.26 174.60 1iok s THR 185 N 1.84 4.16 0.04 1.83 2.01 -1.25 -3.92 115.64 120.36 1iok s THR 185 Ca 0.04 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1iok s THR 185 Cb -0.12 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1iok s THR 185 CO -0.06 0.44 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.47 1iok s GLU 186 N 0.78 0.52 -0.72 4.92 -1.05 -1.04 -4.95 118.70 117.17 1iok s GLU 186 Ca 0.01 -0.97 0.03 0.00 -0.15 0.00 0.00 54.97 53.89 1iok s GLU 186 Cb -0.14 0.18 0.17 0.00 -0.44 0.00 0.00 34.13 33.91 1iok s GLU 186 CO 0.02 -0.10 0.52 0.08 0.95 0.00 0.00 175.26 176.73 1iok s VAL 187 N -3.01 3.16 0.80 1.83 1.01 -1.26 0.69 120.40 123.62 1iok s VAL 187 Ca -0.02 -4.06 -0.12 0.00 0.00 0.00 0.00 61.98 57.79 1iok s VAL 187 Cb 0.01 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1iok s VAL 187 CO -0.07 -0.99 1.12 -1.61 0.00 0.00 0.00 175.10 173.55 1iok s GLU 188 N -1.27 2.10 -0.48 2.72 2.02 -1.21 -4.80 118.70 117.79 1iok s GLU 188 Ca 0.24 0.42 0.07 0.00 0.02 0.00 0.00 54.97 55.72 1iok s GLU 188 Cb -0.08 -1.94 0.24 0.00 0.10 0.00 0.00 34.13 32.45 1iok s GLU 188 CO -0.14 -1.56 0.56 0.28 0.02 0.00 0.00 175.26 174.43 1iok n VAL 189 N -3.35 0.19 -0.54 2.63 0.31 -1.26 -1.58 118.33 114.73 1iok n VAL 189 Ca 0.07 -4.31 -0.29 0.00 -0.01 0.00 0.00 64.34 59.80 1iok n VAL 189 Cb 0.58 -1.97 0.26 0.00 -0.91 0.00 0.00 33.84 31.80 1iok n VAL 189 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1iok s VAL 190 N -1.40 1.76 -0.50 2.52 1.01 -1.20 -4.62 120.40 117.97 1iok s VAL 190 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1iok s VAL 190 Cb 0.14 -2.10 0.11 0.00 0.00 0.00 0.00 36.38 34.53 1iok s VAL 190 CO -0.10 0.00 0.43 -1.61 0.00 0.00 0.00 175.10 173.82 1iok s GLU 191 N -4.68 2.88 0.27 2.72 0.41 -1.26 -1.60 118.70 117.43 1iok s GLU 191 Ca 0.68 -1.60 0.03 0.00 -0.41 0.00 0.00 54.97 53.67 1iok s GLU 191 Cb -0.21 -4.15 -0.01 0.00 -1.78 0.00 0.00 34.13 27.98 1iok s GLU 191 CO 0.62 -1.20 0.30 0.41 -0.49 0.00 0.00 175.26 174.90 1iok n GLY 192 N 5.16 2.79 3.45 -1.39 0.00 -1.26 -2.26 105.19 111.68 1iok n GLY 192 Ca -0.12 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 1iok n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1iok s MET 193 N -2.88 1.87 -0.32 1.61 1.75 0.27 -4.48 119.30 117.12 1iok s MET 193 Ca 0.28 -2.12 0.06 0.00 -1.25 0.00 0.00 55.69 52.66 1iok s MET 193 Cb 0.01 -0.37 0.19 0.00 2.84 0.00 0.00 34.83 37.50 1iok s MET 193 CO 0.20 -0.52 0.59 -1.14 -0.65 0.00 0.00 175.02 173.50 1iok s GLN 194 N -3.66 0.61 0.50 4.11 0.74 -1.26 0.40 119.66 121.10 1iok s GLN 194 Ca 0.28 0.34 -0.08 0.00 0.05 0.00 0.00 55.36 55.95 1iok s GLN 194 Cb 0.03 0.19 0.13 0.00 1.10 0.00 0.00 33.01 34.45 1iok s GLN 194 CO 0.17 -1.08 0.37 1.19 -0.55 0.00 0.00 175.29 175.39 1iok n PHE 195 N 5.18 -3.03 -1.59 1.67 3.72 0.64 -4.86 117.46 119.19 1iok n PHE 195 Ca 0.06 -0.34 0.06 0.00 -0.05 0.00 0.00 57.45 57.18 1iok n PHE 195 Cb 0.54 -0.44 0.21 0.00 -0.94 0.00 0.00 39.48 38.85 1iok n PHE 195 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1iok n ASP 196 N -3.86 1.74 -4.27 4.37 8.00 -1.26 -3.62 116.55 117.64 1iok n ASP 196 Ca 0.05 -3.90 -0.18 0.00 0.71 0.00 0.00 54.79 51.47 1iok n ASP 196 Cb 0.22 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 1iok n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1iok s ARG 197 N -3.24 1.12 0.00 -1.24 0.52 -1.15 -4.44 118.95 110.51 1iok s ARG 197 Ca 0.38 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1iok s ARG 197 Cb 0.37 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.84 1iok s ARG 197 CO -0.07 0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1iok n GLY 198 N 0.30 3.52 3.09 -3.53 0.00 -1.16 -0.93 105.19 106.47 1iok n GLY 198 Ca -0.14 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1iok n GLY 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1iok n TYR 199 N 0.00 -2.62 -0.09 1.61 0.18 -0.65 -4.35 117.16 111.24 1iok n TYR 199 Ca 0.00 -1.59 -0.10 0.00 1.88 0.00 0.00 57.90 58.08 1iok n TYR 199 Cb 0.00 -0.48 -0.13 0.00 -0.38 0.00 0.00 39.34 38.35 1iok n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1iok n LEU 200 N 0.00 0.82 -3.90 -3.48 7.99 -1.21 -4.94 117.00 112.28 1iok n LEU 200 Ca 0.13 -0.03 -0.15 0.00 -0.01 0.00 0.00 56.01 55.95 1iok n LEU 200 Cb 0.47 0.10 -0.15 0.00 -0.11 0.00 0.00 43.42 43.73 1iok n LEU 200 CO 0.31 0.55 -0.38 -0.94 -1.51 0.00 0.00 177.39 175.42 1iok s SER 201 N -5.41 0.40 0.45 -1.43 1.04 -1.26 -5.03 113.70 102.45 1iok s SER 201 Ca -0.14 -0.05 0.14 0.00 0.48 0.00 0.00 55.95 56.37 1iok s SER 201 Cb 0.06 -0.10 1.01 0.00 0.10 0.00 0.00 66.02 67.09 1iok s SER 201 CO 0.65 0.00 2.00 1.55 0.98 0.00 0.00 173.24 178.43 1iok h PRO 202 N 6.38 0.02 0.00 4.02 0.13 -1.98 -0.92 132.00 139.65 1iok h PRO 202 Ca -0.31 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1iok h PRO 202 Cb 1.18 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iok h PRO 202 CO 0.50 0.18 0.00 0.66 -0.23 0.00 0.00 178.00 179.11 1iok n TYR 203 N -4.34 0.00 1.43 1.56 4.01 -1.26 -1.01 117.16 117.55 1iok n TYR 203 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.85 1iok n TYR 203 Cb 0.23 -0.44 0.51 0.00 -0.31 0.00 0.00 39.34 39.33 1iok n TYR 203 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iok n PHE 204 N -1.44 0.00 -3.37 -0.72 -0.00 -0.35 -4.89 117.46 106.69 1iok n PHE 204 Ca 0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.11 1iok n PHE 204 Cb 0.12 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.48 39.47 1iok n PHE 204 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1iok s VAL 205 N -2.23 4.86 -0.51 -2.13 1.01 -0.18 -4.88 120.40 116.34 1iok s VAL 205 Ca 0.33 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1iok s VAL 205 Cb 0.20 -3.79 0.46 0.00 0.00 0.00 0.00 36.38 33.25 1iok s VAL 205 CO 0.42 0.47 1.95 0.35 0.00 0.00 0.00 175.10 178.29 1iok n THR 206 N 1.48 3.24 -0.62 3.92 -2.24 -1.26 -5.00 114.28 113.80 1iok n THR 206 Ca -0.10 -2.26 -0.29 0.00 -2.27 0.00 0.00 64.05 59.12 1iok n THR 206 Cb 0.52 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 1iok n THR 206 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1iok n ASN 207 N -0.72 0.37 -0.06 3.42 5.15 -1.26 -4.80 115.26 117.36 1iok n ASN 207 Ca 0.54 0.34 -0.06 0.00 -0.60 0.00 0.00 54.58 54.79 1iok n ASN 207 Cb 0.97 -0.44 -0.08 0.00 -0.53 0.00 0.00 39.78 39.70 1iok n ASN 207 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iok n ALA 208 N 3.58 1.72 0.00 5.20 0.00 -1.26 -4.89 120.51 124.85 1iok n ALA 208 Ca 0.26 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1iok n ALA 208 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1iok n ALA 208 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iok n ASP 209 N -2.52 0.00 -4.26 0.00 8.00 -1.26 -5.13 116.55 111.38 1iok n ASP 209 Ca -0.20 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.16 1iok n ASP 209 Cb 0.85 0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.89 1iok n ASP 209 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iok s LYS 210 N -1.22 1.10 -0.72 -1.24 1.02 -1.26 -5.04 119.74 112.38 1iok s LYS 210 Ca 0.00 -1.49 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 1iok s LYS 210 Cb 0.00 -0.60 -0.19 0.00 -0.52 0.00 0.00 37.83 36.53 1iok s LYS 210 CO 0.00 0.04 1.88 -1.33 -0.92 0.00 0.00 175.35 175.01 1iok n MET 211 N -0.23 1.23 -4.03 1.68 2.81 -1.26 -4.41 117.12 112.92 1iok n MET 211 Ca -0.09 -1.80 -0.21 0.00 -1.81 0.00 0.00 57.70 53.79 1iok n MET 211 Cb 0.61 -3.00 -0.17 0.00 -0.71 0.00 0.00 33.22 29.95 1iok n MET 211 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1iok s ILE 212 N 6.59 0.51 -0.32 2.02 1.01 -1.26 -4.28 121.20 125.47 1iok s ILE 212 Ca 0.62 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 1iok s ILE 212 Cb 0.12 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 1iok s ILE 212 CO 0.16 0.24 0.63 0.00 0.00 0.00 0.00 174.94 175.97 1iok s ALA 213 N 1.28 3.50 -0.30 9.38 0.00 0.16 -4.16 121.76 131.62 1iok s ALA 213 Ca -0.05 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1iok s ALA 213 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1iok s ALA 213 CO -0.02 -1.17 0.18 -1.21 0.00 0.00 0.00 175.76 173.54 1iok s GLU 214 N 2.64 3.66 -0.23 0.00 0.41 -1.26 -0.27 118.70 123.64 1iok s GLU 214 Ca 0.25 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.30 1iok s GLU 214 Cb -0.15 -3.64 0.05 0.00 -1.78 0.00 0.00 34.13 28.62 1iok s GLU 214 CO 0.13 -0.30 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.01 1iok s LEU 215 N 1.70 2.58 -0.18 1.80 1.02 -0.36 -5.00 118.68 120.25 1iok s LEU 215 Ca 0.06 -1.11 -0.21 0.00 0.02 0.00 0.00 54.13 52.90 1iok s LEU 215 Cb -0.16 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.78 1iok s LEU 215 CO 0.09 -0.20 0.61 -1.83 0.02 0.00 0.00 176.35 175.04 1iok s GLU 216 N 1.36 4.24 -0.94 1.70 1.03 -1.26 -1.10 118.70 123.72 1iok s GLU 216 Ca -0.05 0.60 -0.09 0.00 0.03 0.00 0.00 54.97 55.46 1iok s GLU 216 Cb -0.18 -3.55 -0.01 0.00 -0.80 0.00 0.00 34.13 29.59 1iok s GLU 216 CO -0.07 -0.17 0.72 -0.25 -1.33 0.00 0.00 175.26 174.16 1iok n ASP 217 N 4.81 -5.92 -4.77 0.83 8.00 0.38 -4.47 116.55 115.41 1iok n ASP 217 Ca -0.02 -0.74 -0.22 0.00 0.71 0.00 0.00 54.79 54.52 1iok n ASP 217 Cb 0.50 -3.49 0.10 0.00 -0.02 0.00 0.00 41.12 38.21 1iok n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iok s ALA 218 N -3.20 4.08 -0.47 2.24 0.00 -1.24 -3.01 121.76 120.16 1iok s ALA 218 Ca 0.22 -1.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.09 1iok s ALA 218 Cb -0.07 -1.78 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1iok s ALA 218 CO 0.84 -1.34 0.37 0.71 0.00 0.00 0.00 175.76 176.34 1iok s TYR 219 N -3.01 3.33 -0.57 0.00 4.12 0.46 -4.34 117.35 117.33 1iok s TYR 219 Ca 0.66 -1.45 -0.25 0.00 0.02 0.00 0.00 57.07 56.04 1iok s TYR 219 Cb -0.05 -3.35 0.04 0.00 -1.52 0.00 0.00 41.96 37.08 1iok s TYR 219 CO 0.43 -0.92 1.03 0.42 0.02 0.00 0.00 175.55 176.53 1iok s ILE 220 N 1.49 4.26 0.31 2.71 -1.09 -1.05 0.15 121.20 127.98 1iok s ILE 220 Ca 0.04 0.47 0.11 0.00 -2.23 0.00 0.00 60.65 59.03 1iok s ILE 220 Cb -0.26 -4.61 -0.06 0.00 -1.58 0.00 0.00 42.46 35.95 1iok s ILE 220 CO 0.02 -1.21 -0.14 -1.48 -1.23 0.00 0.00 174.94 170.91 1iok s LEU 221 N 4.30 2.67 -0.29 2.97 0.05 -0.60 -2.41 118.68 125.38 1iok s LEU 221 Ca 0.34 -1.12 -0.21 0.00 0.05 0.00 0.00 54.13 53.19 1iok s LEU 221 Cb -0.11 -1.03 0.15 0.00 -2.05 0.00 0.00 46.19 43.15 1iok s LEU 221 CO 0.21 -0.10 1.10 -1.48 -0.55 0.00 0.00 176.35 175.53 1iok s LEU 222 N -3.56 -0.37 0.14 1.48 0.05 -1.26 -2.22 118.68 112.95 1iok s LEU 222 Ca 0.31 0.65 -0.01 0.00 0.05 0.00 0.00 54.13 55.13 1iok s LEU 222 Cb -0.01 1.63 -0.04 0.00 -2.05 0.00 0.00 46.19 45.73 1iok s LEU 222 CO 0.16 -0.11 0.07 -1.38 -0.55 0.00 0.00 176.35 174.54 1iok s HIS 223 N 0.65 0.90 -2.07 3.48 -3.43 -1.22 -5.04 115.29 108.56 1iok s HIS 223 Ca -0.01 -1.25 0.12 0.00 -0.80 0.00 0.00 55.06 53.12 1iok s HIS 223 Cb -0.04 -0.48 0.47 0.00 -1.43 0.00 0.00 32.58 31.10 1iok s HIS 223 CO -0.11 -0.54 1.34 0.39 -2.00 0.00 0.00 174.74 173.82 1iok n GLU 224 N -0.12 1.47 0.00 -0.38 -0.58 -1.26 -4.58 120.64 115.18 1iok n GLU 224 Ca -0.04 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1iok n GLU 224 Cb 0.64 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1iok n GLU 224 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1iok n LYS 225 N 0.03 3.38 -1.03 3.49 2.85 -1.26 -4.87 118.16 120.74 1iok n LYS 225 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1iok n LYS 225 Cb 0.20 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 1iok n LYS 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1iok n LYS 226 N 0.00 0.36 -2.39 -1.58 5.02 -1.26 -2.31 118.16 115.99 1iok n LYS 226 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1iok n LYS 226 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1iok n LYS 226 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1iok n LEU 227 N 0.00 5.38 0.00 -0.35 4.32 0.46 -4.90 117.00 121.91 1iok n LEU 227 Ca 0.00 -5.17 0.00 0.00 -0.02 0.00 0.00 56.01 50.82 1iok n LEU 227 Cb 0.00 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1iok n LEU 227 CO 0.00 2.14 0.07 -1.54 -1.22 0.00 0.00 177.39 176.84 1iok n SER 228 N -0.47 0.00 -4.67 -1.43 3.41 -1.26 -1.16 113.62 108.04 1iok n SER 228 Ca 0.42 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 1iok n SER 228 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1iok n SER 228 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1iok s SER 229 N -1.90 7.00 0.00 4.04 0.15 -1.26 -4.32 113.70 117.41 1iok s SER 229 Ca 0.00 1.24 0.26 0.00 0.70 0.00 0.00 55.95 58.15 1iok s SER 229 Cb 0.00 -2.47 0.76 0.00 -1.71 0.00 0.00 66.02 62.60 1iok s SER 229 CO 0.00 -0.43 1.59 -0.11 1.20 0.00 0.00 173.24 175.49 1iok n LEU 230 N 5.31 0.44 -0.23 3.45 7.94 -1.26 -4.25 117.00 128.40 1iok n LEU 230 Ca 0.06 0.08 0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1iok n LEU 230 Cb 0.48 -0.28 0.09 0.00 0.53 0.00 0.00 43.42 44.25 1iok n LEU 230 CO 0.49 0.10 0.76 1.56 -1.11 0.00 0.00 177.39 179.19 1iok h GLN 231 N 0.18 0.03 -5.83 1.96 7.50 -1.99 -3.55 115.11 113.41 1iok h GLN 231 Ca 0.00 -0.00 -0.43 0.00 0.50 0.00 0.00 58.65 58.71 1iok h GLN 231 Cb 0.49 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 1iok h GLN 231 CO 0.00 0.02 1.25 -1.25 -1.50 0.00 0.00 178.83 177.35 1iok s PRO 232 N -6.20 2.44 0.00 1.46 0.04 -1.26 -5.31 135.00 126.18 1iok s PRO 232 Ca -0.14 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1iok s PRO 232 Cb 0.21 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1iok s PRO 232 CO 0.74 -3.04 0.47 0.94 0.04 0.00 0.00 177.00 176.15 1iok n GLN 244 N 9.08 0.29 -3.73 4.56 7.27 -1.26 -5.25 117.38 128.34 1iok n GLN 244 Ca 0.28 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.12 1iok n GLN 244 Cb 0.51 -1.35 -0.17 0.00 2.41 0.00 0.00 30.24 31.64 1iok n GLN 244 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1iok s LYS 245 N 1.14 0.45 1.04 3.69 3.01 -1.26 -5.11 119.74 122.69 1iok s LYS 245 Ca 0.00 0.05 -0.20 0.00 -1.01 0.00 0.00 55.97 54.81 1iok s LYS 245 Cb 0.00 -1.16 -0.03 0.00 -1.01 0.00 0.00 37.83 35.63 1iok s LYS 245 CO 0.00 -0.40 -0.52 -2.30 0.51 0.00 0.00 175.35 172.64 1iok n PRO 246 N 5.17 -0.71 -4.31 -1.68 -0.02 -1.16 -4.60 135.00 127.69 1iok n PRO 246 Ca -0.07 -0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.03 1iok n PRO 246 Cb 0.49 -1.42 -0.11 0.00 -0.02 0.00 0.00 33.50 32.45 1iok n PRO 246 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1iok s LEU 247 N 2.78 2.47 -0.18 2.45 2.96 -1.26 0.17 118.68 128.07 1iok s LEU 247 Ca 0.48 -0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1iok s LEU 247 Cb -0.07 -0.68 0.09 0.00 0.50 0.00 0.00 46.19 46.03 1iok s LEU 247 CO 0.68 -0.12 0.28 -0.22 -1.32 0.00 0.00 176.35 175.66 1iok s LEU 248 N -2.83 -0.33 -0.18 -0.68 0.20 0.39 0.11 118.68 115.36 1iok s LEU 248 Ca 0.16 0.28 -0.07 0.00 0.69 0.00 0.00 54.13 55.18 1iok s LEU 248 Cb -0.04 0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 46.40 1iok s LEU 248 CO 0.05 -0.28 0.06 -0.63 -0.29 0.00 0.00 176.35 175.27 1iok s ILE 249 N 2.43 4.82 -0.28 6.68 1.01 0.24 -1.55 121.20 134.53 1iok s ILE 249 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1iok s ILE 249 Cb -0.14 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.25 1iok s ILE 249 CO -0.11 0.47 0.00 -0.69 0.00 0.00 0.00 174.94 174.62 1iok s VAL 250 N 0.24 1.69 0.00 2.92 1.01 -0.94 -0.81 120.40 124.50 1iok s VAL 250 Ca 0.04 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1iok s VAL 250 Cb -0.12 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1iok s VAL 250 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 175.10 174.74 1iok n ALA 251 N 4.56 0.00 -0.02 5.51 0.00 -1.09 -3.40 120.51 126.07 1iok n ALA 251 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1iok n ALA 251 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1iok n ALA 251 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iok h GLU 252 N 0.00 0.11 0.00 0.00 3.07 -1.71 -1.08 114.58 114.98 1iok h GLU 252 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1iok h GLU 252 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1iok h GLU 252 CO 0.00 0.43 0.00 -3.47 -1.40 0.00 0.00 179.01 174.57 1iok n ASP 253 N -4.84 0.00 -4.38 1.42 2.03 -1.26 -4.83 116.55 104.70 1iok n ASP 253 Ca -0.07 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.89 1iok n ASP 253 Cb 0.21 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.48 1iok n ASP 253 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iok s VAL 254 N -2.00 3.61 -1.28 5.18 1.01 -1.26 0.17 120.40 125.84 1iok s VAL 254 Ca 0.00 -0.42 0.15 0.00 0.00 0.00 0.00 61.98 61.70 1iok s VAL 254 Cb 0.00 -2.63 0.58 0.00 0.00 0.00 0.00 36.38 34.33 1iok s VAL 254 CO 0.00 0.43 1.46 -0.62 0.00 0.00 0.00 175.10 176.37 1iok n GLU 255 N 4.43 3.15 0.00 2.72 4.71 -0.31 -4.93 120.64 130.41 1iok n GLU 255 Ca -0.18 -2.29 0.00 0.00 -0.01 0.00 0.00 57.16 54.68 1iok n GLU 255 Cb 0.51 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1iok n GLU 255 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1iok n ILE 273 N 0.89 -0.41 -5.03 -3.67 0.13 -1.26 -4.95 119.36 105.07 1iok n ILE 273 Ca 0.21 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.58 1iok n ILE 273 Cb 0.73 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.37 1iok n ILE 273 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1iok s ALA 274 N -1.68 1.79 -0.20 1.51 0.00 0.30 -4.94 121.76 118.55 1iok s ALA 274 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1iok s ALA 274 Cb 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1iok s ALA 274 CO 0.00 0.36 0.03 0.00 0.00 0.00 0.00 175.76 176.15 1iok s ALA 275 N -0.16 1.06 0.04 0.00 0.00 -1.26 0.79 121.76 122.22 1iok s ALA 275 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1iok s ALA 275 Cb -0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1iok s ALA 275 CO 0.02 -1.19 -0.06 0.14 0.00 0.00 0.00 175.76 174.67 1iok s VAL 276 N 1.83 0.38 0.26 0.00 -7.23 0.01 -3.34 120.40 112.31 1iok s VAL 276 Ca -0.01 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.80 1iok s VAL 276 Cb -0.17 -0.54 -0.09 0.00 0.56 0.00 0.00 36.38 36.13 1iok s VAL 276 CO -0.08 -0.46 1.00 -0.75 -0.31 0.00 0.00 175.10 174.50 1iok s LYS 277 N -1.68 4.76 0.60 4.82 2.20 -1.26 -2.66 119.74 126.53 1iok s LYS 277 Ca -0.11 1.59 -0.18 0.00 -0.36 0.00 0.00 55.97 56.91 1iok s LYS 277 Cb -0.09 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1iok s LYS 277 CO -0.01 0.39 0.98 0.00 -0.36 0.00 0.00 175.35 176.36 1iok n ALA 278 N 1.31 0.23 -2.21 3.13 0.00 -0.41 -4.78 120.51 117.79 1iok n ALA 278 Ca -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1iok n ALA 278 Cb 0.46 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 1iok n ALA 278 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iok s PRO 279 N -2.79 3.75 0.25 0.00 0.04 -1.26 -4.97 135.00 130.02 1iok s PRO 279 Ca 0.76 0.42 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1iok s PRO 279 Cb -0.41 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1iok s PRO 279 CO 0.47 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1iok n GLY 280 N -1.34 -2.62 3.55 0.56 0.00 -1.26 -4.42 105.19 99.66 1iok n GLY 280 Ca 0.02 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1iok n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iok s PHE 281 N -0.51 -0.51 0.00 1.61 -0.12 -1.26 -4.75 117.98 112.45 1iok s PHE 281 Ca 0.00 0.84 0.00 0.00 -0.05 0.00 0.00 56.93 57.72 1iok s PHE 281 Cb 0.00 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1iok s PHE 281 CO 0.00 -0.48 0.00 0.41 -0.05 0.00 0.00 175.22 175.10 1iok n GLY 282 N 0.76 3.03 0.07 1.99 0.00 -1.26 -1.51 105.19 108.26 1iok n GLY 282 Ca -0.14 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1iok n GLY 282 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iok n ASP 283 N 6.95 0.46 -0.42 1.61 5.68 -1.26 -2.42 116.55 127.15 1iok n ASP 283 Ca 0.00 0.57 0.14 0.00 -0.50 0.00 0.00 54.79 55.00 1iok n ASP 283 Cb 0.00 -0.68 0.58 0.00 -1.14 0.00 0.00 41.12 39.88 1iok n ASP 283 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iok n ARG 284 N -1.95 1.58 0.15 0.11 5.12 -0.57 -4.06 116.66 117.04 1iok n ARG 284 Ca 0.05 -0.84 -0.06 0.00 -1.93 0.00 0.00 57.85 55.06 1iok n ARG 284 Cb 0.32 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.11 1iok n ARG 284 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iok h ARG 285 N 2.06 -0.38 -0.52 5.56 3.08 -1.52 -0.31 114.38 122.35 1iok h ARG 285 Ca 0.00 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1iok h ARG 285 Cb 0.44 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1iok h ARG 285 CO 0.00 -0.25 0.20 0.87 -1.07 0.00 0.00 179.97 179.72 1iok h LYS 286 N -0.49 0.75 0.18 0.04 1.57 -1.80 -1.86 116.57 114.97 1iok h LYS 286 Ca -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1iok h LYS 286 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1iok h LYS 286 CO 0.07 0.62 -0.15 0.00 -0.57 0.00 0.00 179.45 179.41 1iok h ALA 287 N 1.48 -0.33 -0.30 3.86 0.00 -1.70 0.86 119.26 123.14 1iok h ALA 287 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1iok h ALA 287 Cb 0.16 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1iok h ALA 287 CO -0.02 -0.70 0.10 0.52 0.00 0.00 0.00 179.25 179.16 1iok h MET 288 N -0.35 0.23 -0.06 0.00 2.86 -0.76 0.26 114.93 117.10 1iok h MET 288 Ca -0.01 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1iok h MET 288 Cb 0.32 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1iok h MET 288 CO -0.02 0.15 0.05 -0.07 1.06 0.00 0.00 176.91 178.08 1iok h LEU 289 N 0.24 0.00 0.01 1.22 3.38 -1.08 -2.14 115.31 116.95 1iok h LEU 289 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1iok h LEU 289 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1iok h LEU 289 CO -0.13 0.00 -0.10 -0.61 0.09 0.00 0.00 178.44 177.69 1iok h GLN 290 N 0.00 0.05 -0.97 1.13 -0.00 0.71 0.22 115.11 116.24 1iok h GLN 290 Ca 0.03 -0.06 0.20 0.00 -0.00 0.00 0.00 58.65 58.81 1iok h GLN 290 Cb 0.12 0.02 -0.11 0.00 0.00 0.00 0.00 27.48 27.51 1iok h GLN 290 CO -0.00 0.95 0.56 -0.44 0.00 0.00 0.00 178.83 179.91 1iok h ASP 291 N -0.83 0.69 1.00 -0.69 3.32 -0.16 0.30 116.42 120.05 1iok h ASP 291 Ca -0.02 0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 1iok h ASP 291 Cb 1.00 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1iok h ASP 291 CO 0.02 0.21 -1.05 -0.29 -1.72 0.00 0.00 179.24 176.41 1iok h ILE 292 N 0.67 1.11 -0.75 0.35 6.09 -1.48 -3.21 117.51 120.30 1iok h ILE 292 Ca 0.58 -2.71 0.09 0.00 -1.37 0.00 0.00 64.86 61.45 1iok h ILE 292 Cb 0.95 2.51 -0.07 0.00 0.47 0.00 0.00 36.82 40.68 1iok h ILE 292 CO -0.41 0.63 0.40 0.00 -3.07 0.00 0.00 178.15 175.70 1iok h ALA 293 N 1.22 1.04 -0.20 0.18 0.00 0.17 -1.30 119.26 120.37 1iok h ALA 293 Ca -0.08 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1iok h ALA 293 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1iok h ALA 293 CO 0.09 0.01 -0.37 0.82 0.00 0.00 0.00 179.25 179.81 1iok h ILE 294 N 0.68 1.33 -0.88 0.00 5.03 -1.37 0.85 117.51 123.14 1iok h ILE 294 Ca 0.36 -1.59 0.20 0.00 -0.12 0.00 0.00 64.86 63.71 1iok h ILE 294 Cb 0.35 1.85 -0.06 0.00 -3.03 0.00 0.00 36.82 35.92 1iok h ILE 294 CO -0.25 0.49 0.59 0.25 -0.68 0.00 0.00 178.15 178.55 1iok h LEU 295 N 0.28 0.38 0.00 1.44 5.85 -1.34 -2.07 115.31 119.85 1iok h LEU 295 Ca 0.01 0.04 -0.32 0.00 0.84 0.00 0.00 57.88 58.45 1iok h LEU 295 Cb 0.96 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1iok h LEU 295 CO 0.08 0.16 -2.29 0.35 -0.34 0.00 0.00 178.44 176.40 1iok n THR 296 N -4.49 1.20 -1.18 1.05 -2.24 -0.57 -1.12 114.28 106.92 1iok n THR 296 Ca 0.19 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1iok n THR 296 Cb 0.69 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1iok n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iok n GLY 297 N 1.76 0.89 3.75 3.38 0.00 0.27 0.12 105.19 115.35 1iok n GLY 297 Ca -0.29 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1iok n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iok s GLY 298 N -2.40 1.97 0.47 -0.02 0.00 0.15 -3.43 107.32 104.06 1iok s GLY 298 Ca 0.00 -0.89 0.15 0.00 0.00 0.00 0.00 44.72 43.98 1iok s GLY 298 CO 0.00 -0.76 2.03 0.16 0.00 0.00 0.00 173.10 174.53 1iok h ILE 314 N 3.37 0.92 0.00 0.90 -0.00 -2.03 -3.44 117.51 117.23 1iok h ILE 314 Ca -0.49 -0.09 -0.01 0.00 -0.00 0.00 0.00 64.86 64.27 1iok h ILE 314 Cb 1.18 0.62 -0.00 0.00 -0.00 0.00 0.00 36.82 38.62 1iok h ILE 314 CO 0.60 0.05 -0.03 -2.24 -0.00 0.00 0.00 178.15 176.53 1iok h ASP 315 N 0.28 0.00 -0.71 2.16 2.03 -2.02 -1.83 116.42 116.33 1iok h ASP 315 Ca 0.20 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.01 1iok h ASP 315 Cb 0.43 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 38.62 1iok h ASP 315 CO -0.04 0.03 -0.23 1.15 -1.03 0.00 0.00 179.24 179.12 1iok n MET 316 N -3.74 2.94 -4.33 4.15 0.00 -1.26 -5.01 117.12 109.87 1iok n MET 316 Ca -0.03 -3.72 -0.19 0.00 0.00 0.00 0.00 57.70 53.77 1iok n MET 316 Cb 0.12 -2.16 -0.10 0.00 0.00 0.00 0.00 33.22 31.08 1iok n MET 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1iok s LEU 317 N -3.57 2.51 0.33 3.17 0.20 -0.69 -4.70 118.68 115.92 1iok s LEU 317 Ca 0.53 -0.95 -0.13 0.00 0.69 0.00 0.00 54.13 54.27 1iok s LEU 317 Cb 0.43 -0.69 -0.08 0.00 -0.43 0.00 0.00 46.19 45.42 1iok s LEU 317 CO 0.01 -0.13 0.71 -0.83 -0.29 0.00 0.00 176.35 175.82 1iok s GLY 318 N -3.04 2.22 0.17 7.98 0.00 -1.01 -3.65 107.32 109.99 1iok s GLY 318 Ca 0.19 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.88 1iok s GLY 318 CO 0.06 0.10 -0.11 0.50 0.00 0.00 0.00 173.10 173.65 1iok s ARG 319 N -3.17 1.15 -0.28 2.90 0.52 0.32 -2.53 118.95 117.86 1iok s ARG 319 Ca 0.52 -1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.04 1iok s ARG 319 Cb -0.10 -0.77 0.09 0.00 0.52 0.00 0.00 34.95 34.68 1iok s ARG 319 CO 0.22 0.11 0.78 0.00 0.02 0.00 0.00 175.30 176.42 1iok s ALA 320 N -3.22 -1.93 0.21 2.13 0.00 -1.21 -2.24 121.76 115.51 1iok s ALA 320 Ca 0.19 2.24 -0.09 0.00 0.00 0.00 0.00 51.96 54.30 1iok s ALA 320 Cb 0.02 -1.42 0.25 0.00 0.00 0.00 0.00 23.12 21.97 1iok s ALA 320 CO 0.03 -0.35 1.81 -0.22 0.00 0.00 0.00 175.76 177.02 1iok h LYS 321 N 6.07 0.68 -3.39 0.00 1.63 0.22 -2.93 116.57 118.85 1iok h LYS 321 Ca -0.29 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.31 1iok h LYS 321 Cb 1.20 -0.15 -0.23 0.00 -0.60 0.00 0.00 32.23 32.45 1iok h LYS 321 CO 0.13 0.45 -0.49 0.21 -3.45 0.00 0.00 179.45 176.31 1iok s LYS 322 N -6.09 0.37 -0.17 1.90 2.36 -0.77 -0.47 119.74 116.87 1iok s LYS 322 Ca -0.13 -0.08 -0.04 0.00 -2.55 0.00 0.00 55.97 53.17 1iok s LYS 322 Cb 0.16 0.16 0.08 0.00 -1.05 0.00 0.00 37.83 37.18 1iok s LYS 322 CO 0.76 -0.08 0.22 0.08 1.55 0.00 0.00 175.35 177.88 1iok s VAL 323 N -0.69 -0.33 -0.06 4.02 1.01 -0.26 -0.34 120.40 123.77 1iok s VAL 323 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1iok s VAL 323 Cb -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1iok s VAL 323 CO 0.01 -0.08 0.09 -0.55 0.00 0.00 0.00 175.10 174.58 1iok s SER 324 N 2.34 5.86 -0.02 3.32 0.15 0.22 -1.22 113.70 124.35 1iok s SER 324 Ca 0.05 0.26 0.04 0.00 0.70 0.00 0.00 55.95 57.00 1iok s SER 324 Cb -0.14 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1iok s SER 324 CO -0.10 0.33 -0.14 -0.63 1.20 0.00 0.00 173.24 173.90 1iok s ILE 325 N -1.09 1.15 0.00 6.45 1.01 0.63 0.19 121.20 129.53 1iok s ILE 325 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1iok s ILE 325 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1iok s ILE 325 CO 0.09 0.33 0.00 0.59 0.00 0.00 0.00 174.94 175.95 1iok n ASN 326 N 2.93 1.42 0.08 3.58 3.02 0.37 0.38 115.26 127.05 1iok n ASN 326 Ca -0.16 -0.02 -0.13 0.00 -0.03 0.00 0.00 54.58 54.24 1iok n ASN 326 Cb 0.54 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 1iok n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1iok h LYS 327 N 0.00 -0.22 0.00 3.52 3.64 -1.92 -1.74 116.57 119.85 1iok h LYS 327 Ca 0.00 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1iok h LYS 327 Cb 0.00 0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 31.60 1iok h LYS 327 CO 0.00 0.13 -0.88 -0.40 -2.27 0.00 0.00 179.45 176.03 1iok n ASP 328 N -5.03 1.19 -3.64 4.20 5.68 -1.26 -3.00 116.55 114.68 1iok n ASP 328 Ca -0.09 -2.53 -0.07 0.00 -0.50 0.00 0.00 54.79 51.60 1iok n ASP 328 Cb 0.24 -0.36 -0.07 0.00 -1.14 0.00 0.00 41.12 39.78 1iok n ASP 328 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1iok s ASN 329 N -2.33 -0.93 -0.06 -1.12 0.01 -0.86 -2.96 114.94 106.69 1iok s ASN 329 Ca 0.35 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 54.02 1iok s ASN 329 Cb 0.38 1.38 0.01 0.00 0.41 0.00 0.00 41.25 43.43 1iok s ASN 329 CO -0.14 -0.24 -0.13 -0.89 -1.51 0.00 0.00 177.10 174.19 1iok s THR 330 N 1.57 1.20 -0.08 1.60 2.01 -0.11 -0.48 115.64 121.36 1iok s THR 330 Ca -0.09 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1iok s THR 330 Cb -0.05 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1iok s THR 330 CO -0.19 0.37 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.06 1iok s THR 331 N 0.54 2.87 -0.37 -0.82 2.01 0.13 -0.26 115.64 119.74 1iok s THR 331 Ca -0.13 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1iok s THR 331 Cb -0.15 -2.14 0.10 0.00 0.01 0.00 0.00 72.50 70.33 1iok s THR 331 CO 0.04 0.57 0.09 -0.63 -0.69 0.00 0.00 174.62 173.99 1iok s ILE 332 N -0.27 2.48 0.06 1.82 1.01 0.16 0.72 121.20 127.18 1iok s ILE 332 Ca 0.01 -2.37 -0.14 0.00 0.00 0.00 0.00 60.65 58.15 1iok s ILE 332 Cb -0.13 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 1iok s ILE 332 CO 0.03 -0.63 0.45 0.68 0.00 0.00 0.00 174.94 175.47 1iok s VAL 333 N 0.85 4.98 -0.43 2.92 -7.23 0.54 -0.56 120.40 121.48 1iok s VAL 333 Ca 0.11 0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 60.79 1iok s VAL 333 Cb -0.20 -3.72 0.04 0.00 0.56 0.00 0.00 36.38 33.06 1iok s VAL 333 CO -0.07 0.42 0.60 -0.67 -0.31 0.00 0.00 175.10 175.07 1iok n ASP 334 N 1.33 -6.90 0.00 4.85 4.64 -1.24 -1.86 116.55 117.36 1iok n ASP 334 Ca -0.10 0.27 0.00 0.00 -1.38 0.00 0.00 54.79 53.58 1iok n ASP 334 Cb 0.52 -3.75 0.00 0.00 -1.04 0.00 0.00 41.12 36.85 1iok n ASP 334 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iok n GLY 335 N -0.19 -1.38 0.00 0.27 0.00 -0.96 0.20 105.19 103.14 1iok n GLY 335 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1iok n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iok n ALA 336 N -3.00 0.00 -0.67 4.61 0.00 -0.27 -3.29 120.51 117.89 1iok n ALA 336 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1iok n ALA 336 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1iok n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 337 N -0.19 -2.42 3.63 0.00 0.00 -0.75 -4.84 105.19 100.61 1iok n GLY 337 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1iok n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iok s GLU 338 N -3.54 3.28 0.34 1.61 8.01 -1.26 -4.99 118.70 122.16 1iok s GLU 338 Ca 0.57 -0.43 0.24 0.00 0.01 0.00 0.00 54.97 55.36 1iok s GLU 338 Cb -0.14 -2.87 1.19 0.00 -4.31 0.00 0.00 34.13 28.00 1iok s GLU 338 CO 0.66 0.53 1.28 1.63 0.01 0.00 0.00 175.26 179.37 1iok n LYS 339 N 2.68 -0.03 0.49 1.61 4.76 -1.26 -0.07 118.16 126.34 1iok n LYS 339 Ca -0.18 1.05 -0.19 0.00 -2.87 0.00 0.00 58.31 56.12 1iok n LYS 339 Cb 0.53 -2.02 -0.09 0.00 -1.84 0.00 0.00 35.03 31.61 1iok n LYS 339 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iok h ALA 340 N 1.38 -1.28 -0.18 7.82 0.00 -1.97 0.81 119.26 125.85 1iok h ALA 340 Ca 0.71 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.40 1iok h ALA 340 Cb 2.19 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 20.46 1iok h ALA 340 CO -0.44 -1.18 0.16 1.49 0.00 0.00 0.00 179.25 179.27 1iok h GLU 341 N -1.32 0.00 0.12 0.00 4.57 -0.89 -0.19 114.58 116.88 1iok h GLU 341 Ca -0.13 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.77 1iok h GLU 341 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1iok h GLU 341 CO 0.21 0.00 -1.31 0.82 -1.18 0.00 0.00 179.01 177.55 1iok h ILE 342 N 0.00 1.42 0.00 2.32 2.04 -0.90 -3.21 117.51 119.17 1iok h ILE 342 Ca 0.08 -3.01 -0.02 0.00 1.00 0.00 0.00 64.86 62.92 1iok h ILE 342 Cb 0.39 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1iok h ILE 342 CO -0.00 0.87 -0.09 -0.33 0.00 0.00 0.00 178.15 178.60 1iok h GLU 343 N 0.07 0.00 0.13 2.37 5.08 0.23 -2.90 114.58 119.56 1iok h GLU 343 Ca -0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1iok h GLU 343 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1iok h GLU 343 CO 0.19 0.09 -0.06 0.00 -1.00 0.00 0.00 179.01 178.23 1iok h ALA 344 N 1.91 -0.17 -0.17 3.43 0.00 -1.20 -2.21 119.26 120.85 1iok h ALA 344 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1iok h ALA 344 Cb 0.75 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1iok h ALA 344 CO 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 179.25 178.88 1iok h ARG 345 N -0.80 -0.08 -0.47 0.00 2.47 -1.57 0.35 114.38 114.28 1iok h ARG 345 Ca -0.02 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1iok h ARG 345 Cb 0.55 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1iok h ARG 345 CO 0.03 -0.05 0.32 0.28 0.56 0.00 0.00 179.97 181.11 1iok h VAL 346 N -0.08 0.90 -0.14 2.04 2.07 -1.60 0.12 116.25 119.56 1iok h VAL 346 Ca 0.10 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 1iok h VAL 346 Cb 0.23 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1iok h VAL 346 CO -0.22 0.05 -0.66 0.77 0.02 0.00 0.00 177.57 177.53 1iok h SER 347 N 0.28 0.82 0.09 0.57 4.64 -0.31 -2.25 113.55 117.39 1iok h SER 347 Ca 0.22 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1iok h SER 347 Cb 0.49 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1iok h SER 347 CO -0.05 1.32 -0.04 1.56 -0.87 0.00 0.00 176.83 178.75 1iok h GLN 348 N 0.38 -0.11 -0.84 4.77 7.50 0.10 -1.83 115.11 125.08 1iok h GLN 348 Ca -0.04 0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.18 1iok h GLN 348 Cb 1.30 0.03 -0.06 0.00 0.05 0.00 0.00 27.48 28.79 1iok h GLN 348 CO 0.14 0.10 0.52 0.82 -1.50 0.00 0.00 178.83 178.91 1iok h ILE 349 N -0.31 1.03 0.59 2.54 2.04 -0.90 0.68 117.51 123.18 1iok h ILE 349 Ca -0.01 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1iok h ILE 349 Cb 0.27 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1iok h ILE 349 CO 0.02 0.17 -0.35 0.03 0.00 0.00 0.00 178.15 178.02 1iok h ARG 350 N 0.94 -0.86 0.00 2.37 3.08 -1.24 0.21 114.38 118.88 1iok h ARG 350 Ca 0.37 0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 1iok h ARG 350 Cb 0.18 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1iok h ARG 350 CO -0.18 -0.57 -0.17 1.96 -1.07 0.00 0.00 179.97 179.94 1iok h GLN 351 N -0.89 0.00 0.49 0.04 1.08 -1.00 0.13 115.11 114.96 1iok h GLN 351 Ca -0.07 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1iok h GLN 351 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1iok h GLN 351 CO 0.08 0.17 -0.24 0.37 -0.95 0.00 0.00 178.83 178.26 1iok h GLN 352 N 0.00 -0.64 0.00 1.46 5.75 0.98 -2.58 115.11 120.09 1iok h GLN 352 Ca -0.00 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1iok h GLN 352 Cb 0.30 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 1iok h GLN 352 CO 0.02 -0.35 -0.10 0.82 -2.65 0.00 0.00 178.83 176.58 1iok h ILE 353 N -0.86 0.37 0.00 2.39 2.04 -0.34 -1.67 117.51 119.44 1iok h ILE 353 Ca -0.07 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1iok h ILE 353 Cb 0.59 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1iok h ILE 353 CO 0.11 0.10 0.00 -0.33 0.00 0.00 0.00 178.15 178.03 1iok h GLU 354 N 0.00 0.00 0.00 2.37 5.08 -0.36 -3.07 114.58 118.61 1iok h GLU 354 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1iok h GLU 354 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1iok h GLU 354 CO 0.01 0.00 -1.72 0.39 -1.00 0.00 0.00 179.01 176.69 1iok n GLU 355 N -2.69 2.23 -1.67 2.33 -0.58 -0.69 -4.99 120.64 114.58 1iok n GLU 355 Ca 0.00 -0.01 -0.48 0.00 -0.42 0.00 0.00 57.16 56.26 1iok n GLU 355 Cb 0.20 -1.27 -0.05 0.00 -0.57 0.00 0.00 31.44 29.76 1iok n GLU 355 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1iok n THR 356 N -2.38 0.59 0.84 2.62 -2.24 -0.82 -4.83 114.28 108.06 1iok n THR 356 Ca -0.17 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1iok n THR 356 Cb 0.83 -1.94 0.16 0.00 -2.10 0.00 0.00 70.33 67.29 1iok n THR 356 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1iok n THR 357 N 5.35 0.09 -1.77 4.28 -1.04 -1.26 -4.89 114.28 115.04 1iok n THR 357 Ca 0.23 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.73 1iok n THR 357 Cb 0.31 0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 69.02 1iok n THR 357 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iok s SER 358 N -3.39 6.50 0.00 8.00 0.15 -1.26 -4.85 113.70 118.85 1iok s SER 358 Ca 0.09 2.60 0.31 0.00 0.70 0.00 0.00 55.95 59.64 1iok s SER 358 Cb 0.16 -2.54 1.64 0.00 -1.71 0.00 0.00 66.02 63.56 1iok s SER 358 CO 0.74 -1.00 2.08 -0.90 1.20 0.00 0.00 173.24 175.36 1iok n ASP 359 N 6.71 0.41 -0.04 5.45 3.85 -1.26 -3.24 116.55 128.44 1iok n ASP 359 Ca 0.18 -1.08 -0.04 0.00 -0.71 0.00 0.00 54.79 53.15 1iok n ASP 359 Cb 0.40 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 40.15 1iok n ASP 359 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1iok n TYR 360 N -0.70 0.00 0.78 2.11 4.01 -1.26 -4.50 117.16 117.60 1iok n TYR 360 Ca 0.22 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.01 1iok n TYR 360 Cb 0.19 -0.21 0.28 0.00 -0.31 0.00 0.00 39.34 39.29 1iok n TYR 360 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1iok n ASP 361 N -3.36 0.00 0.06 7.72 -0.08 -1.26 -2.70 116.55 116.93 1iok n ASP 361 Ca -0.06 -0.49 0.02 0.00 -1.51 0.00 0.00 54.79 52.75 1iok n ASP 361 Cb 0.22 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.05 1iok n ASP 361 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1iok h ARG 362 N 0.00 0.38 0.05 -0.67 -0.00 -1.78 -2.23 114.38 110.12 1iok h ARG 362 Ca 0.00 -0.07 -0.33 0.00 -0.00 0.00 0.00 59.98 59.59 1iok h ARG 362 Cb 0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.97 29.87 1iok h ARG 362 CO 0.00 0.41 -1.87 -1.91 -0.00 0.00 0.00 179.97 176.60 1iok n GLU 363 N -4.33 0.68 0.18 0.08 0.00 -1.10 -2.46 120.64 113.70 1iok n GLU 363 Ca 0.01 0.27 0.13 0.00 0.00 0.00 0.00 57.16 57.56 1iok n GLU 363 Cb 0.21 -1.74 0.64 0.00 0.00 0.00 0.00 31.44 30.55 1iok n GLU 363 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1iok h LYS 364 N 0.03 0.00 0.00 5.31 1.57 -1.61 0.17 116.57 122.04 1iok h LYS 364 Ca -0.36 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.23 1iok h LYS 364 Cb 2.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.30 1iok h LYS 364 CO 0.08 0.00 -1.73 -0.11 -0.57 0.00 0.00 179.45 177.12 1iok n LEU 365 N -2.37 1.63 0.23 2.94 7.94 -0.87 -4.11 117.00 122.39 1iok n LEU 365 Ca -0.01 -0.04 0.11 0.00 -1.11 0.00 0.00 56.01 54.96 1iok n LEU 365 Cb 0.09 -0.14 0.48 0.00 0.53 0.00 0.00 43.42 44.38 1iok n LEU 365 CO 0.13 0.51 0.83 1.56 -1.11 0.00 0.00 177.39 179.31 1iok h GLN 366 N 0.00 0.00 0.19 1.96 4.20 -1.14 -2.49 115.11 117.83 1iok h GLN 366 Ca -0.29 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.09 1iok h GLN 366 Cb 1.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.33 1iok h GLN 366 CO -0.02 0.19 -1.63 1.05 -0.67 0.00 0.00 178.83 177.75 1iok h GLU 367 N 0.00 0.40 0.00 1.46 4.11 -0.90 -3.23 114.58 116.43 1iok h GLU 367 Ca -0.00 -0.68 -0.00 0.00 0.07 0.00 0.00 59.36 58.75 1iok h GLU 367 Cb 0.73 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1iok h GLU 367 CO 0.02 1.30 -0.01 0.07 0.07 0.00 0.00 179.01 180.47 1iok h ARG 368 N 0.11 0.00 0.03 1.06 0.11 -1.69 -2.76 114.38 111.24 1iok h ARG 368 Ca -0.30 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.56 1iok h ARG 368 Cb 2.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.16 1iok h ARG 368 CO 0.20 0.01 -1.01 -0.24 0.10 0.00 0.00 179.97 179.03 1iok h VAL 369 N 0.00 1.58 0.00 0.08 3.04 -1.52 -3.16 116.25 116.26 1iok h VAL 369 Ca -0.00 -3.02 -0.04 0.00 -1.01 0.00 0.00 66.70 62.63 1iok h VAL 369 Cb 0.57 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.57 1iok h VAL 369 CO 0.00 0.87 -0.21 0.00 -1.01 0.00 0.00 177.57 177.23 1iok h ALA 370 N 0.90 1.12 0.00 3.17 0.00 -1.50 0.29 119.26 123.23 1iok h ALA 370 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iok h ALA 370 Cb 1.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1iok h ALA 370 CO 0.15 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.29 1iok n LYS 371 N -3.51 0.06 -0.02 0.00 4.01 -1.19 -1.93 118.16 115.58 1iok n LYS 371 Ca -0.01 0.24 -0.04 0.00 -0.51 0.00 0.00 58.31 57.99 1iok n LYS 371 Cb 0.37 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.37 1iok n LYS 371 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1iok n LEU 372 N -1.43 1.28 -1.85 -0.35 4.77 -0.48 -4.62 117.00 114.32 1iok n LEU 372 Ca 0.04 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 1iok n LEU 372 Cb 0.14 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1iok n LEU 372 CO 0.11 0.26 1.16 0.00 -1.33 0.00 0.00 177.39 177.60 1iok n ALA 373 N -2.99 4.93 0.00 -1.18 0.00 0.90 -4.11 120.51 118.06 1iok n ALA 373 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1iok n ALA 373 Cb 0.57 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1iok n ALA 373 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 374 N 0.22 0.00 0.19 0.00 0.00 -0.81 -4.85 105.19 99.94 1iok n GLY 374 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1iok n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iok n GLY 375 N 2.08 -3.18 2.64 -0.02 0.00 -1.26 -4.89 105.19 100.55 1iok n GLY 375 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1iok n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iok s VAL 376 N -0.95 0.59 1.04 1.61 1.01 -0.63 -4.67 120.40 118.41 1iok s VAL 376 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 1iok s VAL 376 Cb 0.00 -1.45 0.15 0.00 0.00 0.00 0.00 36.38 35.08 1iok s VAL 376 CO 0.00 -0.77 0.66 0.00 0.00 0.00 0.00 175.10 174.99 1iok n ALA 377 N 4.64 -2.61 -3.14 5.51 0.00 -1.14 -3.24 120.51 120.52 1iok n ALA 377 Ca 0.01 -0.91 0.04 0.00 0.00 0.00 0.00 53.44 52.58 1iok n ALA 377 Cb 0.40 -1.89 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 1iok n ALA 377 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iok s VAL 378 N -2.42 -0.72 0.17 0.00 0.11 -0.61 -2.74 120.40 114.18 1iok s VAL 378 Ca 0.62 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.36 1iok s VAL 378 Cb -0.21 -0.67 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 1iok s VAL 378 CO 0.64 0.00 1.59 -0.63 -3.33 0.00 0.00 175.10 173.38 1iok s ILE 379 N 2.81 2.54 -0.55 7.04 1.01 -1.25 -3.36 121.20 129.45 1iok s ILE 379 Ca 0.17 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 61.11 1iok s ILE 379 Cb -0.07 -3.25 0.14 0.00 0.01 0.00 0.00 42.46 39.30 1iok s ILE 379 CO -0.24 0.03 0.42 -0.60 0.00 0.00 0.00 174.94 174.55 1iok s ARG 380 N 1.19 2.65 0.17 2.79 6.06 0.22 0.28 118.95 132.31 1iok s ARG 380 Ca 0.71 -2.00 -0.30 0.00 -2.50 0.00 0.00 55.73 51.64 1iok s ARG 380 Cb -0.45 -3.96 -0.07 0.00 0.06 0.00 0.00 34.95 30.53 1iok s ARG 380 CO 0.31 -1.21 1.11 0.14 -2.50 0.00 0.00 175.30 173.15 1iok s VAL 381 N 0.94 3.87 -0.01 7.11 -7.23 0.88 -2.49 120.40 123.46 1iok s VAL 381 Ca 0.09 1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 61.79 1iok s VAL 381 Cb -0.23 -4.02 0.01 0.00 0.56 0.00 0.00 36.38 32.69 1iok s VAL 381 CO -0.02 0.27 0.16 -0.83 -0.31 0.00 0.00 175.10 174.36 1iok s GLY 382 N -0.05 -0.01 0.00 2.32 0.00 -1.25 0.26 107.32 108.58 1iok s GLY 382 Ca 0.50 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1iok s GLY 382 CO 0.35 -0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.96 1iok n GLY 383 N 1.77 4.81 0.07 0.20 0.00 -1.18 -4.33 105.19 106.53 1iok n GLY 383 Ca -0.20 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1iok n GLY 383 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1iok h MET 384 N 0.00 0.00 -5.22 1.61 2.86 -1.90 -2.00 114.93 110.28 1iok h MET 384 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1iok h MET 384 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 1iok h MET 384 CO 0.00 0.25 -0.58 0.95 1.06 0.00 0.00 176.91 178.59 1iok s THR 385 N -2.13 1.13 0.62 2.22 -4.23 -1.26 -4.90 115.64 107.10 1iok s THR 385 Ca -0.15 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.70 1iok s THR 385 Cb 0.02 -2.68 0.38 0.00 1.34 0.00 0.00 72.50 71.56 1iok s THR 385 CO 0.27 0.00 2.20 -0.33 -0.54 0.00 0.00 174.62 176.22 1iok h GLU 386 N 1.97 0.00 0.00 3.99 5.08 -1.95 0.68 114.58 124.35 1iok h GLU 386 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1iok h GLU 386 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1iok h GLU 386 CO 0.68 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.80 1iok n ILE 387 N -3.47 0.02 0.01 3.13 5.41 -1.26 -2.42 119.36 120.78 1iok n ILE 387 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 1iok n ILE 387 Cb 0.20 -0.58 -0.01 0.00 -0.71 0.00 0.00 39.64 38.54 1iok n ILE 387 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1iok n GLU 388 N -1.03 0.14 -0.18 0.38 1.02 0.23 -4.38 120.64 116.83 1iok n GLU 388 Ca 0.19 0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.37 1iok n GLU 388 Cb 0.10 -0.74 0.08 0.00 -0.02 0.00 0.00 31.44 30.86 1iok n GLU 388 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1iok h VAL 389 N -0.27 0.79 0.00 2.62 2.07 -1.48 0.34 116.25 120.32 1iok h VAL 389 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1iok h VAL 389 Cb 0.27 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1iok h VAL 389 CO 0.00 0.06 0.00 0.11 0.02 0.00 0.00 177.57 177.76 1iok h LYS 390 N 0.35 0.00 0.04 1.57 1.57 -1.72 -1.35 116.57 117.02 1iok h LYS 390 Ca 0.27 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 1iok h LYS 390 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1iok h LYS 390 CO -0.28 0.00 -0.91 1.49 -0.57 0.00 0.00 179.45 179.17 1iok h GLU 391 N 0.00 0.08 0.00 3.15 4.22 -0.88 -3.34 114.58 117.81 1iok h GLU 391 Ca 0.00 -0.13 -0.06 0.00 0.08 0.00 0.00 59.36 59.25 1iok h GLU 391 Cb 0.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1iok h GLU 391 CO 0.00 1.06 -0.28 0.00 -2.18 0.00 0.00 179.01 177.61 1iok h ARG 392 N -0.78 0.00 0.00 1.92 3.08 -0.42 -2.58 114.38 115.60 1iok h ARG 392 Ca -0.23 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 1iok h ARG 392 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 1iok h ARG 392 CO -0.06 0.28 -0.23 -0.22 -1.07 0.00 0.00 179.97 178.67 1iok h LYS 393 N 0.00 0.00 0.08 0.04 3.64 -1.39 -0.19 116.57 118.75 1iok h LYS 393 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1iok h LYS 393 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1iok h LYS 393 CO 0.04 0.23 -1.13 -0.44 -2.27 0.00 0.00 179.45 175.88 1iok h ASP 394 N 0.00 0.41 -0.14 4.20 3.32 -1.58 -1.67 116.42 120.96 1iok h ASP 394 Ca -0.00 -0.40 -0.13 0.00 0.02 0.00 0.00 57.03 56.51 1iok h ASP 394 Cb 0.47 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1iok h ASP 394 CO 0.03 1.27 -0.44 -0.09 -1.72 0.00 0.00 179.24 178.29 1iok h ARG 395 N 0.10 0.54 -0.04 3.56 2.43 -1.36 -1.15 114.38 118.46 1iok h ARG 395 Ca -0.11 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1iok h ARG 395 Cb 1.84 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1iok h ARG 395 CO 0.18 1.02 -0.01 0.28 -1.51 0.00 0.00 179.97 179.94 1iok h VAL 396 N 0.16 1.27 -0.23 0.20 2.07 -1.13 0.83 116.25 119.42 1iok h VAL 396 Ca -0.02 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1iok h VAL 396 Cb 1.07 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1iok h VAL 396 CO 0.09 0.23 0.15 -0.78 0.02 0.00 0.00 177.57 177.28 1iok h ASP 397 N -0.24 0.24 0.59 0.57 1.82 -1.36 0.39 116.42 118.43 1iok h ASP 397 Ca 0.01 -0.01 -0.25 0.00 -0.39 0.00 0.00 57.03 56.40 1iok h ASP 397 Cb 0.37 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1iok h ASP 397 CO 0.00 0.17 -1.12 0.44 -1.61 0.00 0.00 179.24 177.12 1iok h ASP 398 N 0.28 0.40 0.96 2.28 5.19 -0.94 -3.20 116.42 121.39 1iok h ASP 398 Ca 0.09 -0.39 -0.19 0.00 -0.62 0.00 0.00 57.03 55.92 1iok h ASP 398 Cb 0.00 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 1iok h ASP 398 CO -0.02 1.26 -1.10 0.00 -3.12 0.00 0.00 179.24 176.26 1iok h ALA 399 N 0.69 0.59 0.00 3.45 0.00 -0.17 -3.25 119.26 120.56 1iok h ALA 399 Ca -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1iok h ALA 399 Cb 1.82 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1iok h ALA 399 CO 0.18 1.07 0.00 -0.11 0.00 0.00 0.00 179.25 180.39 1iok n LEU 400 N -3.15 0.33 -0.01 0.00 7.94 0.13 -2.45 117.00 119.79 1iok n LEU 400 Ca -0.05 0.55 -0.07 0.00 -1.11 0.00 0.00 56.01 55.33 1iok n LEU 400 Cb 0.88 -0.46 -0.13 0.00 0.53 0.00 0.00 43.42 44.24 1iok n LEU 400 CO 0.44 -0.19 -0.50 0.59 -1.11 0.00 0.00 177.39 176.62 1iok n ASN 401 N -1.83 0.84 0.08 1.96 3.02 -1.21 -2.82 115.26 115.31 1iok n ASN 401 Ca 0.05 0.39 -0.13 0.00 -0.03 0.00 0.00 54.58 54.87 1iok n ASN 401 Cb 0.31 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1iok n ASN 401 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iok h ALA 402 N 1.09 0.32 0.04 5.41 0.00 -1.56 -3.18 119.26 121.38 1iok h ALA 402 Ca -0.27 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 53.87 1iok h ALA 402 Cb 1.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1iok h ALA 402 CO 0.07 0.90 -0.02 1.15 0.00 0.00 0.00 179.25 181.35 1iok h THR 403 N 0.15 1.37 -0.17 0.00 2.02 -1.62 -1.14 112.91 113.52 1iok h THR 403 Ca -0.08 -1.52 0.05 0.00 0.77 0.00 0.00 66.41 65.62 1iok h THR 403 Cb 1.68 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 1iok h THR 403 CO 0.17 0.37 0.46 -0.09 0.37 0.00 0.00 175.52 176.80 1iok h ARG 404 N -0.75 0.00 0.00 6.66 2.43 -1.63 0.96 114.38 122.06 1iok h ARG 404 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1iok h ARG 404 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1iok h ARG 404 CO 0.01 0.00 -1.98 0.00 -1.51 0.00 0.00 179.97 176.49 1iok n ALA 405 N -2.01 2.64 0.07 2.80 0.00 -1.19 -4.03 120.51 118.79 1iok n ALA 405 Ca 0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 1iok n ALA 405 Cb 0.56 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 19.31 1iok n ALA 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iok h ALA 406 N 1.88 0.56 0.00 0.00 0.00 0.22 -3.20 119.26 118.73 1iok h ALA 406 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1iok h ALA 406 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1iok h ALA 406 CO 0.00 0.82 0.00 -0.39 0.00 0.00 0.00 179.25 179.68 1iok h VAL 407 N 0.20 0.00 -0.15 0.00 -1.51 -1.24 0.33 116.25 113.87 1iok h VAL 407 Ca -0.04 -0.88 -0.08 0.00 -1.23 0.00 0.00 66.70 64.47 1iok h VAL 407 Cb 1.39 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1iok h VAL 407 CO 0.13 0.00 -0.21 1.56 -1.23 0.00 0.00 177.57 177.83 1iok h GLN 408 N 0.00 0.41 0.00 5.19 4.20 -1.69 -3.39 115.11 119.83 1iok h GLN 408 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1iok h GLN 408 Cb 0.89 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1iok h GLN 408 CO 0.00 0.81 -0.02 0.39 -0.67 0.00 0.00 178.83 179.34 1iok n GLU 409 N -4.48 1.13 0.00 1.46 1.02 -1.25 -5.10 120.64 113.42 1iok n GLU 409 Ca -0.06 -0.94 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 1iok n GLU 409 Cb 0.41 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 1iok n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iok n GLY 410 N -0.22 -3.38 3.36 0.62 0.00 0.11 -4.69 105.19 100.98 1iok n GLY 410 Ca 0.00 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1iok n GLY 410 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iok s ILE 411 N -0.92 2.03 0.05 -0.61 -4.36 0.27 -1.75 121.20 115.91 1iok s ILE 411 Ca 0.00 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 58.42 1iok s ILE 411 Cb 0.00 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.79 1iok s ILE 411 CO 0.00 -0.18 0.14 0.54 0.24 0.00 0.00 174.94 175.68 1iok s VAL 412 N -1.72 0.14 0.10 8.37 0.11 -0.64 -1.10 120.40 125.66 1iok s VAL 412 Ca 0.16 -1.12 -0.35 0.00 -2.93 0.00 0.00 61.98 57.74 1iok s VAL 412 Cb -0.07 -1.07 -0.18 0.00 -1.53 0.00 0.00 36.38 33.53 1iok s VAL 412 CO 0.07 -0.62 1.06 1.33 -3.33 0.00 0.00 175.10 173.61 1iok n VAL 413 N 0.46 0.62 -1.32 2.04 0.24 -1.26 0.25 118.33 119.35 1iok n VAL 413 Ca -0.17 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1iok n VAL 413 Cb 0.60 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1iok n VAL 413 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iok n GLY 414 N 1.91 0.77 2.20 7.63 0.00 0.19 -3.54 105.19 114.35 1iok n GLY 414 Ca 0.18 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 1iok n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iok n GLY 415 N 5.00 0.52 2.23 -0.02 0.00 -1.26 -3.05 105.19 108.60 1iok n GLY 415 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1iok n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iok n GLY 416 N -2.20 0.82 0.09 -0.02 0.00 -1.26 -4.60 105.19 98.01 1iok n GLY 416 Ca -0.02 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1iok n GLY 416 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iok h VAL 417 N 0.00 0.84 -0.60 1.61 2.07 -1.75 -3.34 116.25 115.08 1iok h VAL 417 Ca -0.18 -2.67 0.12 0.00 0.82 0.00 0.00 66.70 64.79 1iok h VAL 417 Cb 0.68 2.45 -0.10 0.00 -1.52 0.00 0.00 31.29 32.80 1iok h VAL 417 CO 0.25 0.56 0.02 0.00 0.02 0.00 0.00 177.57 178.42 1iok h ALA 418 N 0.86 0.61 -0.16 1.67 0.00 -1.79 0.12 119.26 120.56 1iok h ALA 418 Ca -0.30 0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iok h ALA 418 Cb 2.01 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 1iok h ALA 418 CO 0.08 -0.38 0.10 -0.07 0.00 0.00 0.00 179.25 178.97 1iok h LEU 419 N 0.13 0.16 -1.08 0.00 4.07 -1.88 -0.75 115.31 115.96 1iok h LEU 419 Ca 0.31 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.21 1iok h LEU 419 Cb 0.50 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1iok h LEU 419 CO -0.50 0.12 -0.04 0.58 -1.08 0.00 0.00 178.44 177.51 1iok h VAL 420 N 0.20 1.22 0.11 1.22 2.07 -1.45 -2.16 116.25 117.46 1iok h VAL 420 Ca 0.06 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1iok h VAL 420 Cb -0.01 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1iok h VAL 420 CO -0.03 0.32 -0.05 1.56 0.02 0.00 0.00 177.57 179.39 1iok h GLN 421 N 0.56 -0.14 -0.11 1.57 1.08 -0.49 -3.09 115.11 114.50 1iok h GLN 421 Ca 0.11 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1iok h GLN 421 Cb 0.42 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1iok h GLN 421 CO 0.02 0.26 0.09 0.78 -0.95 0.00 0.00 178.83 179.03 1iok h GLY 422 N -0.56 0.00 2.00 3.46 0.00 -1.09 0.70 103.07 107.58 1iok h GLY 422 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1iok h GLY 422 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1iok h ALA 423 N 1.92 1.00 -0.11 3.60 0.00 -1.30 -1.72 119.26 122.65 1iok h ALA 423 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1iok h ALA 423 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iok h ALA 423 CO -0.00 0.00 -0.11 0.87 0.00 0.00 0.00 179.25 180.01 1iok h LYS 424 N 0.00 0.16 -0.31 0.00 1.57 -0.94 -2.53 116.57 114.52 1iok h LYS 424 Ca 0.00 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1iok h LYS 424 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1iok h LYS 424 CO 0.00 0.28 0.21 0.28 -0.57 0.00 0.00 179.45 179.65 1iok h VAL 425 N 0.15 0.96 0.00 0.50 2.07 -1.50 -1.94 116.25 116.50 1iok h VAL 425 Ca 0.03 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1iok h VAL 425 Cb 0.30 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1iok h VAL 425 CO 0.02 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.83 1iok n LEU 426 N -4.48 0.15 0.12 2.57 4.77 -0.95 -4.27 117.00 114.90 1iok n LEU 426 Ca 0.03 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1iok n LEU 426 Cb 0.22 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1iok n LEU 426 CO 0.35 0.04 0.56 -0.08 -1.33 0.00 0.00 177.39 176.93 1iok h GLU 427 N 0.04 -0.67 -0.01 3.23 4.57 -1.53 -3.22 114.58 116.99 1iok h GLU 427 Ca 0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1iok h GLU 427 Cb 0.08 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1iok h GLU 427 CO 0.00 -0.44 -0.76 0.41 -1.18 0.00 0.00 179.01 177.03 1iok n GLY 428 N -1.48 -0.54 3.50 1.92 0.00 -1.26 -5.01 105.19 102.33 1iok n GLY 428 Ca -0.08 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1iok n GLY 428 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iok n LEU 429 N -0.86 0.84 -3.76 0.99 7.94 -1.22 -5.02 117.00 115.92 1iok n LEU 429 Ca 0.06 0.94 -0.13 0.00 -1.11 0.00 0.00 56.01 55.77 1iok n LEU 429 Cb 0.38 -1.19 -0.09 0.00 0.53 0.00 0.00 43.42 43.05 1iok n LEU 429 CO 0.36 -2.46 0.02 -0.44 -1.11 0.00 0.00 177.39 173.76 1iok s SER 430 N -0.91 -0.23 0.54 1.96 0.01 -1.26 -5.08 113.70 108.73 1iok s SER 430 Ca 0.64 0.23 0.07 0.00 1.31 0.00 0.00 55.95 58.20 1iok s SER 430 Cb -0.59 0.41 0.05 0.00 0.21 0.00 0.00 66.02 66.10 1iok s SER 430 CO 0.57 -0.37 0.50 -0.83 0.41 0.00 0.00 173.24 173.53 1iok s GLY 431 N -0.97 2.19 0.30 3.44 0.00 -1.26 -5.01 107.32 106.01 1iok s GLY 431 Ca -0.10 -1.53 0.21 0.00 0.00 0.00 0.00 44.72 43.30 1iok s GLY 431 CO 0.03 -1.86 1.64 0.00 0.00 0.00 0.00 173.10 172.91 1iok n ALA 432 N -1.88 1.08 -3.59 3.20 0.00 -1.26 -4.78 120.51 113.28 1iok n ALA 432 Ca 0.03 0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1iok n ALA 432 Cb 0.63 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1iok n ALA 432 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iok s ASN 433 N -4.00 -0.30 0.32 0.00 4.22 -1.26 -5.00 114.94 108.91 1iok s ASN 433 Ca -0.02 -0.15 0.10 0.00 -2.14 0.00 0.00 52.86 50.65 1iok s ASN 433 Cb 0.06 0.43 0.94 0.00 1.28 0.00 0.00 41.25 43.96 1iok s ASN 433 CO 0.20 -0.74 1.68 0.28 -2.04 0.00 0.00 177.10 176.48 1iok h SER 434 N 2.00 0.43 0.07 3.54 0.02 -1.98 0.43 113.55 118.05 1iok h SER 434 Ca -0.23 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1iok h SER 434 Cb 1.24 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1iok h SER 434 CO 0.29 -0.08 -0.03 0.44 -1.14 0.00 0.00 176.83 176.31 1iok h ASP 435 N 0.36 -0.07 -0.25 3.07 5.19 -1.96 0.19 116.42 122.95 1iok h ASP 435 Ca 0.67 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1iok h ASP 435 Cb 1.42 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.94 1iok h ASP 435 CO -0.58 0.09 0.16 -0.61 -3.12 0.00 0.00 179.24 175.17 1iok h GLN 436 N -0.23 0.33 -0.54 3.56 4.15 -0.59 -0.97 115.11 120.81 1iok h GLN 436 Ca -0.01 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 1iok h GLN 436 Cb 0.20 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1iok h GLN 436 CO 0.01 0.22 -0.12 -0.44 -1.93 0.00 0.00 178.83 176.57 1iok h ASP 437 N 0.34 1.04 -0.33 -0.69 3.32 0.23 -2.89 116.42 117.45 1iok h ASP 437 Ca 0.09 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.81 1iok h ASP 437 Cb -0.03 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 1iok h ASP 437 CO -0.02 1.16 0.16 0.00 -1.72 0.00 0.00 179.24 178.82 1iok h ALA 438 N 0.92 0.40 -0.81 3.45 0.00 0.38 -1.10 119.26 122.49 1iok h ALA 438 Ca 0.14 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1iok h ALA 438 Cb 0.70 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1iok h ALA 438 CO 0.05 -0.22 0.53 0.78 0.00 0.00 0.00 179.25 180.39 1iok h GLY 439 N 0.33 1.04 1.00 0.00 0.00 -1.29 -0.54 103.07 103.60 1iok h GLY 439 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1iok h GLY 439 CO -0.10 0.13 -0.18 -2.22 0.00 0.00 0.00 176.54 174.17 1iok h ILE 440 N 0.67 1.28 -0.12 2.60 2.04 -1.03 -3.02 117.51 119.93 1iok h ILE 440 Ca 0.39 -1.31 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 1iok h ILE 440 Cb 0.58 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1iok h ILE 440 CO -0.16 0.43 -0.37 0.00 0.00 0.00 0.00 178.15 178.06 1iok h ALA 441 N 0.80 1.15 -0.00 1.87 0.00 -0.37 -1.45 119.26 121.25 1iok h ALA 441 Ca 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1iok h ALA 441 Cb 0.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1iok h ALA 441 CO 0.06 0.56 -0.12 0.82 0.00 0.00 0.00 179.25 180.57 1iok h ILE 442 N 0.22 0.70 -0.48 0.00 2.04 -1.07 -1.51 117.51 117.40 1iok h ILE 442 Ca 0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1iok h ILE 442 Cb 0.76 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1iok h ILE 442 CO 0.06 0.00 0.08 0.40 0.00 0.00 0.00 178.15 178.69 1iok h ILE 443 N -0.20 1.22 -0.17 -0.67 1.08 -1.38 0.14 117.51 117.52 1iok h ILE 443 Ca 0.04 -0.83 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1iok h ILE 443 Cb 0.26 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 1iok h ILE 443 CO -0.12 0.30 0.14 -0.09 -0.69 0.00 0.00 178.15 177.68 1iok h ARG 444 N 0.71 0.00 0.01 2.37 2.43 -0.31 -2.68 114.38 116.91 1iok h ARG 444 Ca 0.15 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.95 1iok h ARG 444 Cb 0.32 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1iok h ARG 444 CO 0.00 0.00 -2.33 0.54 -1.51 0.00 0.00 179.97 176.68 1iok n ARG 445 N -4.28 0.68 0.18 0.20 1.74 -0.68 -4.36 116.66 110.14 1iok n ARG 445 Ca 0.01 0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.28 1iok n ARG 445 Cb 0.27 -1.57 0.57 0.00 -1.02 0.00 0.00 32.46 30.71 1iok n ARG 445 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iok h ALA 446 N 0.46 1.91 0.00 7.54 0.00 -0.52 -1.40 119.26 127.25 1iok h ALA 446 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1iok h ALA 446 Cb 2.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1iok h ALA 446 CO -0.01 0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 1iok h LEU 447 N 0.17 0.00 -0.62 0.00 3.38 -1.68 -0.94 115.31 115.62 1iok h LEU 447 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iok h LEU 447 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1iok h LEU 447 CO -0.01 0.00 -0.05 -0.62 0.09 0.00 0.00 178.44 177.85 1iok n GLU 448 N -2.65 1.30 0.35 1.13 1.02 -0.53 -4.01 120.64 117.26 1iok n GLU 448 Ca -0.01 -0.62 -0.14 0.00 -0.02 0.00 0.00 57.16 56.37 1iok n GLU 448 Cb 0.13 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1iok n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iok h ALA 449 N 4.10 -1.14 -0.04 0.62 0.00 -1.29 -2.03 119.26 119.48 1iok h ALA 449 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1iok h ALA 449 Cb 0.39 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1iok h ALA 449 CO 0.00 -1.07 0.10 -1.35 0.00 0.00 0.00 179.25 176.93 1iok h PRO 450 N -0.96 0.00 0.00 0.00 0.11 -1.79 -1.62 132.00 127.74 1iok h PRO 450 Ca -0.09 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1iok h PRO 450 Cb 0.68 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1iok h PRO 450 CO 0.15 0.00 -0.41 1.98 -0.21 0.00 0.00 178.00 179.51 1iok h MET 451 N 0.00 0.00 -0.87 1.05 4.05 -1.75 -2.82 114.93 114.59 1iok h MET 451 Ca 0.02 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.54 1iok h MET 451 Cb 0.22 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.96 1iok h MET 451 CO -0.00 0.67 0.56 0.00 0.23 0.00 0.00 176.91 178.37 1iok h ARG 452 N -1.00 0.78 0.92 0.39 3.08 -1.17 0.42 114.38 117.80 1iok h ARG 452 Ca -0.10 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1iok h ARG 452 Cb 0.82 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1iok h ARG 452 CO -0.06 0.52 -0.44 0.37 -1.07 0.00 0.00 179.97 179.28 1iok h GLN 453 N 0.80 -1.19 -1.01 0.04 5.75 -1.42 0.43 115.11 118.50 1iok h GLN 453 Ca 0.41 0.08 0.28 0.00 -0.15 0.00 0.00 58.65 59.27 1iok h GLN 453 Cb 0.48 0.27 -0.06 0.00 1.07 0.00 0.00 27.48 29.25 1iok h GLN 453 CO -0.17 -0.79 0.70 0.82 -2.65 0.00 0.00 178.83 176.73 1iok h ILE 454 N -1.28 0.52 0.03 2.39 2.04 -1.10 0.99 117.51 121.10 1iok h ILE 454 Ca -0.13 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1iok h ILE 454 Cb 0.95 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1iok h ILE 454 CO 0.21 0.03 -0.47 0.00 0.00 0.00 0.00 178.15 177.92 1iok h ALA 455 N 1.54 0.02 -0.44 1.87 0.00 -0.33 -3.22 119.26 118.70 1iok h ALA 455 Ca 0.52 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iok h ALA 455 Cb 1.72 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1iok h ALA 455 CO -0.11 0.23 0.29 0.93 0.00 0.00 0.00 179.25 180.59 1iok h GLU 456 N -0.38 0.58 -0.52 0.00 4.39 0.21 -0.88 114.58 117.97 1iok h GLU 456 Ca -0.07 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.73 1iok h GLU 456 Cb 1.25 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1iok h GLU 456 CO 0.09 0.38 0.37 -0.91 -1.16 0.00 0.00 179.01 177.78 1iok h ASN 457 N 0.59 0.09 1.09 1.42 2.35 -1.03 0.13 115.58 120.23 1iok h ASN 457 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1iok h ASN 457 Cb -0.06 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1iok h ASN 457 CO -0.04 0.05 -0.28 0.00 -1.65 0.00 0.00 177.43 175.51 1iok n ALA 458 N -2.61 2.65 0.00 -0.83 0.00 -0.62 -4.80 120.51 114.31 1iok n ALA 458 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1iok n ALA 458 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1iok n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 459 N 1.36 0.57 3.85 0.00 0.00 0.46 -5.08 105.19 106.36 1iok n GLY 459 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1iok n GLY 459 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iok s VAL 460 N -2.00 4.90 -0.82 1.61 1.01 -0.43 -4.95 120.40 119.71 1iok s VAL 460 Ca 0.00 0.71 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 1iok s VAL 460 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1iok s VAL 460 CO 0.00 0.18 1.79 -0.62 0.00 0.00 0.00 175.10 176.45 1iok s ASP 461 N -1.87 5.47 0.63 3.32 -1.08 -1.26 -2.73 116.67 119.15 1iok s ASP 461 Ca 0.39 -0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.15 1iok s ASP 461 Cb -0.14 -2.55 0.87 0.00 -1.46 0.00 0.00 42.92 39.63 1iok s ASP 461 CO 0.19 -2.37 1.43 1.23 0.52 0.00 0.00 175.17 176.17 1iok h GLY 462 N 16.26 0.00 1.82 2.66 0.00 -1.86 0.58 103.07 122.53 1iok h GLY 462 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 1iok h GLY 462 CO 1.25 0.00 -0.57 0.00 0.00 0.00 0.00 176.54 177.22 1iok h ALA 463 N 0.68 0.92 0.00 3.60 0.00 -1.91 -1.99 119.26 120.56 1iok h ALA 463 Ca 0.20 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1iok h ALA 463 Cb 1.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1iok h ALA 463 CO -0.00 0.71 -0.00 0.28 0.00 0.00 0.00 179.25 180.24 1iok h VAL 464 N 0.15 1.38 -0.84 0.00 2.07 -0.24 -2.54 116.25 116.23 1iok h VAL 464 Ca -0.00 -2.02 0.22 0.00 0.82 0.00 0.00 66.70 65.71 1iok h VAL 464 Cb 1.05 2.60 -0.05 0.00 -1.52 0.00 0.00 31.29 33.38 1iok h VAL 464 CO 0.09 0.47 0.58 0.58 0.02 0.00 0.00 177.57 179.30 1iok h VAL 465 N -0.99 0.63 0.00 2.57 2.07 -1.50 -0.98 116.25 118.06 1iok h VAL 465 Ca -0.00 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1iok h VAL 465 Cb 0.77 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1iok h VAL 465 CO 0.00 0.03 -0.47 0.00 0.02 0.00 0.00 177.57 177.15 1iok h ALA 466 N 1.61 0.05 -0.72 1.67 0.00 -1.41 -3.03 119.26 117.42 1iok h ALA 466 Ca 0.41 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iok h ALA 466 Cb 1.38 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1iok h ALA 466 CO -0.07 0.25 0.48 0.78 0.00 0.00 0.00 179.25 180.68 1iok h GLY 467 N -0.27 1.01 0.63 0.00 0.00 -0.77 0.18 103.07 103.86 1iok h GLY 467 Ca -0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1iok h GLY 467 CO 0.09 0.37 -0.02 0.50 0.00 0.00 0.00 176.54 177.49 1iok h LYS 468 N 0.98 -0.04 0.00 4.80 1.57 -1.39 -1.53 116.57 120.95 1iok h LYS 468 Ca 0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1iok h LYS 468 Cb -0.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1iok h LYS 468 CO -0.06 0.32 -0.10 0.28 -0.57 0.00 0.00 179.45 179.33 1iok h VAL 469 N -0.41 0.70 0.04 0.50 2.07 -1.37 -1.61 116.25 116.18 1iok h VAL 469 Ca -0.00 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1iok h VAL 469 Cb 0.38 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1iok h VAL 469 CO 0.01 0.09 -0.02 0.03 0.02 0.00 0.00 177.57 177.70 1iok h ARG 470 N 0.00 -0.06 0.00 1.57 3.08 -0.76 -3.07 114.38 115.15 1iok h ARG 470 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iok h ARG 470 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1iok h ARG 470 CO 0.01 0.54 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 1iok n GLU 471 N -4.82 0.63 -0.53 0.04 1.02 -0.59 -4.83 120.64 111.56 1iok n GLU 471 Ca -0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 1iok n GLU 471 Cb 0.31 -1.44 0.23 0.00 -0.02 0.00 0.00 31.44 30.52 1iok n GLU 471 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iok n SER 472 N -0.94 -1.16 0.00 1.62 2.88 -0.63 -4.99 113.62 110.40 1iok n SER 472 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1iok n SER 472 Cb 0.06 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 1iok n SER 472 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iok n SER 473 N -4.74 2.94 -4.61 -3.46 7.64 -1.26 -4.99 113.62 105.13 1iok n SER 473 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1iok n SER 473 Cb 0.53 0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 1iok n SER 473 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iok s ASP 474 N -3.68 6.69 0.00 6.43 2.15 -1.26 -4.88 116.67 122.13 1iok s ASP 474 Ca 0.00 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1iok s ASP 474 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1iok s ASP 474 CO 0.00 -1.17 0.62 0.29 -0.17 0.00 0.00 175.17 174.74 1iok n LYS 475 N 7.61 0.00 -0.17 4.34 4.76 -1.26 0.16 118.16 133.60 1iok n LYS 475 Ca 0.12 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.84 1iok n LYS 475 Cb 0.48 -1.66 0.16 0.00 -1.84 0.00 0.00 35.03 32.18 1iok n LYS 475 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iok n ALA 476 N -1.12 2.44 -2.71 7.82 0.00 -1.26 -4.98 120.51 120.70 1iok n ALA 476 Ca 0.00 -2.42 -0.37 0.00 0.00 0.00 0.00 53.44 50.65 1iok n ALA 476 Cb 0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 1iok n ALA 476 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1iok s PHE 477 N -2.72 3.43 0.00 0.00 5.36 0.12 -1.09 117.98 123.09 1iok s PHE 477 Ca 0.33 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 1iok s PHE 477 Cb 0.28 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1iok s PHE 477 CO 0.05 0.16 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 1iok n GLY 478 N 3.58 4.65 2.83 13.12 0.00 -0.63 -4.86 105.19 123.88 1iok n GLY 478 Ca -0.11 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1iok n GLY 478 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iok s PHE 479 N 0.65 0.28 -0.50 1.61 5.36 -1.26 -2.83 117.98 121.29 1iok s PHE 479 Ca 0.00 0.00 -0.11 0.00 -0.96 0.00 0.00 56.93 55.86 1iok s PHE 479 Cb 0.00 -0.36 0.12 0.00 -0.34 0.00 0.00 43.02 42.44 1iok s PHE 479 CO 0.00 -0.11 0.39 1.21 -1.46 0.00 0.00 175.22 175.25 1iok s ASN 480 N 0.89 5.84 0.64 6.13 2.47 -0.18 -4.93 114.94 125.80 1iok s ASN 480 Ca -0.09 -1.91 0.41 0.00 0.42 0.00 0.00 52.86 51.70 1iok s ASN 480 Cb -0.12 -2.06 2.20 0.00 -1.45 0.00 0.00 41.25 39.81 1iok s ASN 480 CO -0.02 -0.73 2.30 0.00 -3.72 0.00 0.00 177.10 174.93 1iok h ALA 481 N 8.54 1.05 -0.41 1.71 0.00 -1.92 1.68 119.26 129.91 1iok h ALA 481 Ca -0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1iok h ALA 481 Cb 1.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1iok h ALA 481 CO 0.90 0.01 0.06 0.37 0.00 0.00 0.00 179.25 180.59 1iok h GLN 482 N 0.00 0.68 0.00 0.00 5.75 -1.95 -3.31 115.11 116.28 1iok h GLN 482 Ca -0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1iok h GLN 482 Cb 0.09 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1iok h GLN 482 CO 0.00 0.72 -1.25 0.25 -2.65 0.00 0.00 178.83 175.90 1iok n THR 483 N -4.51 0.00 -2.50 2.39 -2.24 -1.00 -5.03 114.28 101.39 1iok n THR 483 Ca -0.00 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1iok n THR 483 Cb 0.24 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1iok n THR 483 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1iok n GLU 484 N -1.72 -1.23 -4.21 -0.78 2.13 0.57 -5.06 120.64 110.33 1iok n GLU 484 Ca -0.01 0.19 -0.20 0.00 0.66 0.00 0.00 57.16 57.80 1iok n GLU 484 Cb 0.25 -3.50 -0.12 0.00 0.27 0.00 0.00 31.44 28.34 1iok n GLU 484 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1iok s GLU 485 N -4.90 0.93 0.36 5.31 -1.05 -1.09 -4.91 118.70 113.35 1iok s GLU 485 Ca 0.08 -1.05 -0.04 0.00 -0.15 0.00 0.00 54.97 53.81 1iok s GLU 485 Cb -0.04 -1.01 -0.04 0.00 -0.44 0.00 0.00 34.13 32.60 1iok s GLU 485 CO 0.10 0.23 0.63 0.71 0.95 0.00 0.00 175.26 177.87 1iok s TYR 486 N -1.32 3.50 -2.93 4.83 2.02 -1.26 -1.01 117.35 121.18 1iok s TYR 486 Ca 0.02 0.65 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1iok s TYR 486 Cb -0.10 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 1iok s TYR 486 CO 0.03 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.45 1iok n GLY 487 N -1.48 -0.53 3.40 0.71 0.00 -1.13 -4.96 105.19 101.21 1iok n GLY 487 Ca -0.02 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1iok n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iok s ASP 488 N -4.00 6.28 0.52 1.61 -1.08 -1.26 -1.60 116.67 117.14 1iok s ASP 488 Ca 0.00 -1.51 0.36 0.00 -0.52 0.00 0.00 52.55 50.88 1iok s ASP 488 Cb 0.00 -2.33 1.52 0.00 -1.46 0.00 0.00 42.92 40.65 1iok s ASP 488 CO 0.00 -1.14 1.75 -0.03 0.52 0.00 0.00 175.17 176.27 1iok h MET 489 N 9.13 0.05 0.04 4.34 1.85 -1.44 0.17 114.93 129.08 1iok h MET 489 Ca -0.21 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.88 1iok h MET 489 Cb 1.07 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1iok h MET 489 CO 1.10 0.03 -0.02 0.74 -0.40 0.00 0.00 176.91 178.36 1iok h PHE 490 N 0.05 -0.05 -0.09 1.39 0.04 -1.78 -1.16 116.94 115.34 1iok h PHE 490 Ca 0.65 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.41 1iok h PHE 490 Cb 2.46 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.62 1iok h PHE 490 CO -0.00 0.44 0.00 0.87 -0.60 0.00 0.00 178.31 179.03 1iok h LYS 491 N -0.58 0.12 0.00 1.51 1.57 -1.41 -1.76 116.57 116.03 1iok h LYS 491 Ca -0.01 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1iok h LYS 491 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1iok h LYS 491 CO 0.01 0.14 -0.36 0.74 -0.57 0.00 0.00 179.45 179.41 1iok h PHE 492 N 0.13 0.00 0.00 -1.35 0.04 -1.04 -3.47 116.94 111.25 1iok h PHE 492 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1iok h PHE 492 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1iok h PHE 492 CO 0.00 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.48 1iok n GLY 493 N -0.49 0.88 3.35 -1.45 0.00 -0.66 -5.03 105.19 101.79 1iok n GLY 493 Ca -0.02 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 1iok n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iok s VAL 494 N -2.00 5.55 0.23 1.61 1.01 -0.48 -5.03 120.40 121.29 1iok s VAL 494 Ca 0.00 -2.47 0.07 0.00 0.00 0.00 0.00 61.98 59.58 1iok s VAL 494 Cb 0.00 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1iok s VAL 494 CO 0.00 -1.11 -0.09 0.27 0.00 0.00 0.00 175.10 174.17 1iok s ILE 495 N 0.32 1.58 -0.07 2.22 -4.36 -1.26 0.57 121.20 120.20 1iok s ILE 495 Ca 0.21 -2.15 -0.04 0.00 -0.26 0.00 0.00 60.65 58.41 1iok s ILE 495 Cb -0.09 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1iok s ILE 495 CO -0.09 -0.48 0.17 -1.81 0.24 0.00 0.00 174.94 172.97 1iok s ASP 496 N -3.35 -0.16 -0.01 4.36 1.01 0.14 -4.40 116.67 114.26 1iok s ASP 496 Ca 0.25 0.34 -0.35 0.00 0.71 0.00 0.00 52.55 53.50 1iok s ASP 496 Cb 0.02 0.27 -0.13 0.00 1.01 0.00 0.00 42.92 44.09 1iok s ASP 496 CO 0.08 -0.12 1.71 -2.65 0.21 0.00 0.00 175.17 174.41 1iok n PRO 497 N 3.77 1.95 0.23 8.23 -0.02 -1.26 -1.63 135.00 146.27 1iok n PRO 497 Ca -0.21 0.71 0.16 0.00 -2.02 0.00 0.00 63.50 62.13 1iok n PRO 497 Cb 0.54 -2.49 0.83 0.00 -0.02 0.00 0.00 33.50 32.36 1iok n PRO 497 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iok h ALA 498 N 7.45 1.01 0.00 3.55 0.00 -1.62 -0.72 119.26 128.93 1iok h ALA 498 Ca -0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1iok h ALA 498 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1iok h ALA 498 CO 0.91 -0.01 -0.29 -0.22 0.00 0.00 0.00 179.25 179.65 1iok h LYS 499 N 0.00 0.00 0.04 0.00 3.64 -1.80 -2.73 116.57 115.72 1iok h LYS 499 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1iok h LYS 499 Cb 0.01 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1iok h LYS 499 CO 0.00 0.29 -2.05 0.28 -2.27 0.00 0.00 179.45 175.70 1iok n VAL 500 N -3.42 1.61 0.45 2.00 0.31 -0.29 -2.27 118.33 116.73 1iok n VAL 500 Ca 0.00 -0.72 0.10 0.00 -0.01 0.00 0.00 64.34 63.71 1iok n VAL 500 Cb 0.48 -1.24 0.42 0.00 -0.91 0.00 0.00 33.84 32.59 1iok n VAL 500 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1iok n VAL 501 N -3.18 0.87 -0.11 2.52 0.31 -1.14 -1.60 118.33 116.01 1iok n VAL 501 Ca -0.30 0.22 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 1iok n VAL 501 Cb 1.06 -1.08 -0.12 0.00 -0.91 0.00 0.00 33.84 32.80 1iok n VAL 501 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1iok n ARG 502 N -1.95 0.64 -0.19 5.55 0.63 -1.03 -3.98 116.66 116.33 1iok n ARG 502 Ca 0.03 0.22 -0.09 0.00 -0.92 0.00 0.00 57.85 57.09 1iok n ARG 502 Cb 0.21 -1.55 0.01 0.00 0.45 0.00 0.00 32.46 31.58 1iok n ARG 502 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1iok h THR 503 N -0.32 1.26 -0.17 5.15 2.02 -1.36 -2.27 112.91 117.22 1iok h THR 503 Ca -0.58 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 65.56 1iok h THR 503 Cb 1.80 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 1iok h THR 503 CO -0.16 0.39 -0.08 0.00 0.37 0.00 0.00 175.52 176.03 1iok h ALA 504 N 0.96 0.07 -0.43 6.16 0.00 -1.51 -0.67 119.26 123.84 1iok h ALA 504 Ca 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1iok h ALA 504 Cb 0.51 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1iok h ALA 504 CO 0.02 -0.52 0.10 1.25 0.00 0.00 0.00 179.25 180.10 1iok h LEU 505 N -0.06 0.59 -0.01 0.00 5.85 -1.67 -1.00 115.31 119.01 1iok h LEU 505 Ca 0.09 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1iok h LEU 505 Cb 0.20 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1iok h LEU 505 CO -0.21 0.59 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.13 1iok h GLU 506 N 0.62 0.03 -0.98 1.25 5.08 -1.04 -2.80 114.58 116.74 1iok h GLU 506 Ca 0.14 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1iok h GLU 506 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1iok h GLU 506 CO -0.00 0.63 0.64 -0.44 -1.00 0.00 0.00 179.01 178.84 1iok h ASP 507 N -0.56 1.04 0.74 1.42 3.32 -1.03 0.13 116.42 121.48 1iok h ASP 507 Ca -0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1iok h ASP 507 Cb 0.63 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.96 1iok h ASP 507 CO 0.01 0.69 -0.36 0.00 -1.72 0.00 0.00 179.24 177.86 1iok h ALA 508 N 1.42 -1.00 0.00 3.45 0.00 -1.24 -2.34 119.26 119.56 1iok h ALA 508 Ca 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iok h ALA 508 Cb 0.08 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iok h ALA 508 CO -0.15 -0.98 -0.00 0.00 0.00 0.00 0.00 179.25 178.12 1iok h ALA 509 N -1.00 1.00 -0.11 0.00 0.00 -1.30 0.10 119.26 117.95 1iok h ALA 509 Ca -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iok h ALA 509 Cb 0.79 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1iok h ALA 509 CO 0.17 0.00 -0.01 1.03 0.00 0.00 0.00 179.25 180.44 1iok h SER 510 N 0.00 0.20 0.21 0.00 0.87 -0.22 -2.88 113.55 111.72 1iok h SER 510 Ca -0.00 -0.33 -0.31 0.00 -1.23 0.00 0.00 61.79 59.92 1iok h SER 510 Cb 0.01 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1iok h SER 510 CO 0.00 0.48 -1.46 -0.37 -0.53 0.00 0.00 176.83 174.94 1iok h VAL 511 N -0.09 1.18 -1.14 2.23 -1.51 -1.03 -3.19 116.25 112.70 1iok h VAL 511 Ca 0.03 -2.59 0.33 0.00 -1.23 0.00 0.00 66.70 63.24 1iok h VAL 511 Cb 0.38 2.95 -0.05 0.00 -2.13 0.00 0.00 31.29 32.45 1iok h VAL 511 CO 0.01 0.80 0.82 0.00 -1.23 0.00 0.00 177.57 177.97 1iok h ALA 512 N 0.11 3.08 0.12 5.19 0.00 -0.91 0.44 119.26 127.27 1iok h ALA 512 Ca -0.27 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1iok h ALA 512 Cb 2.03 0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.94 1iok h ALA 512 CO 0.21 -1.40 -1.19 0.78 0.00 0.00 0.00 179.25 177.65 1iok h GLY 513 N 0.00 0.68 0.80 0.00 0.00 -1.54 -2.44 103.07 100.57 1iok h GLY 513 Ca 0.54 -1.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 1iok h GLY 513 CO -0.01 1.24 -0.04 1.41 0.00 0.00 0.00 176.54 179.15 1iok h LEU 514 N 0.22 -0.09 0.35 3.11 3.38 -0.27 -2.04 115.31 119.95 1iok h LEU 514 Ca -0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1iok h LEU 514 Cb 1.87 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1iok h LEU 514 CO 0.23 0.12 -0.27 -0.07 0.09 0.00 0.00 178.44 178.54 1iok h LEU 515 N -0.31 -0.69 -2.01 1.67 3.38 -0.86 -2.02 115.31 114.47 1iok h LEU 515 Ca -0.01 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1iok h LEU 515 Cb 0.26 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1iok h LEU 515 CO 0.02 -0.40 0.44 0.40 0.09 0.00 0.00 178.44 178.98 1iok h ILE 516 N -0.61 0.53 -0.61 1.22 2.04 -1.43 -1.39 117.51 117.26 1iok h ILE 516 Ca -0.03 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1iok h ILE 516 Cb 0.53 0.68 -0.19 0.00 -0.74 0.00 0.00 36.82 37.10 1iok h ILE 516 CO -0.01 0.00 0.19 0.35 0.00 0.00 0.00 178.15 178.68 1iok n THR 517 N -4.03 2.82 -3.77 -0.27 -2.24 -0.77 -4.86 114.28 101.17 1iok n THR 517 Ca 0.09 -2.53 -0.35 0.00 -2.27 0.00 0.00 64.05 59.00 1iok n THR 517 Cb 0.65 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.37 1iok n THR 517 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1iok s THR 518 N -3.37 5.33 -0.03 4.28 2.01 -0.53 -4.98 115.64 118.36 1iok s THR 518 Ca 0.50 0.16 0.11 0.00 0.31 0.00 0.00 61.69 62.77 1iok s THR 518 Cb 0.44 -3.43 -0.16 0.00 0.01 0.00 0.00 72.50 69.35 1iok s THR 518 CO 0.03 0.44 0.21 -0.62 -0.69 0.00 0.00 174.62 174.00 1iok n GLU 519 N 3.50 0.67 -3.71 4.92 -0.58 -1.26 -4.90 120.64 119.29 1iok n GLU 519 Ca -0.16 -0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.35 1iok n GLU 519 Cb 0.52 -1.26 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 1iok n GLU 519 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iok s ALA 520 N -2.67 -1.04 0.02 0.62 0.00 -1.26 -1.08 121.76 116.34 1iok s ALA 520 Ca -0.04 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1iok s ALA 520 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1iok s ALA 520 CO 0.45 -0.27 -0.18 -1.64 0.00 0.00 0.00 175.76 174.12 1iok s MET 521 N -0.95 1.27 -0.23 0.00 -1.94 0.37 -4.98 119.30 112.84 1iok s MET 521 Ca -0.10 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.11 1iok s MET 521 Cb -0.04 -1.30 0.06 0.00 2.01 0.00 0.00 34.83 35.56 1iok s MET 521 CO 0.05 0.34 -0.07 0.42 -0.01 0.00 0.00 175.02 175.75 1iok s ILE 522 N -0.67 1.60 0.20 2.53 1.01 -1.26 -1.01 121.20 123.60 1iok s ILE 522 Ca 0.06 -1.19 0.11 0.00 0.00 0.00 0.00 60.65 59.63 1iok s ILE 522 Cb -0.08 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1iok s ILE 522 CO 0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 174.94 174.69 1iok s ALA 523 N 1.38 2.53 0.57 9.38 0.00 -0.65 -4.96 121.76 130.01 1iok s ALA 523 Ca -0.05 -1.67 -0.18 0.00 0.00 0.00 0.00 51.96 50.07 1iok s ALA 523 Cb -0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1iok s ALA 523 CO -0.07 0.40 1.10 -2.00 0.00 0.00 0.00 175.76 175.19 1iok s GLU 524 N -2.80 3.27 0.19 0.00 2.56 -1.26 -0.03 118.70 120.62 1iok s GLU 524 Ca 0.22 1.44 -0.22 0.00 0.00 0.00 0.00 54.97 56.40 1iok s GLU 524 Cb -0.07 -2.01 -0.08 0.00 2.00 0.00 0.00 34.13 33.97 1iok s GLU 524 CO 0.10 -0.88 0.74 0.15 -0.56 0.00 0.00 175.26 174.81 1iok s LYS 525 N -3.64 4.40 0.00 4.30 -0.14 -0.88 -4.65 119.74 119.13 1iok s LYS 525 Ca 0.69 1.00 0.06 0.00 -1.36 0.00 0.00 55.97 56.36 1iok s LYS 525 Cb -0.20 -3.08 0.37 0.00 -1.68 0.00 0.00 37.83 33.24 1iok s LYS 525 CO 0.32 0.49 0.83 -0.35 -0.76 0.00 0.00 175.35 175.88