#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iex s VAL 5 N 0.00 4.65 0.25 0.44 -7.23 -1.26 -5.01 120.40 112.24 3iex s VAL 5 Ca 0.00 1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 61.58 3iex s VAL 5 Cb 0.00 -4.15 -0.11 0.00 0.56 0.00 0.00 36.38 32.68 3iex s VAL 5 CO 0.00 0.37 1.59 -0.89 -0.31 0.00 0.00 175.10 175.86 3iex s THR 6 N -0.16 2.26 -0.13 5.32 2.01 -1.26 -4.58 115.64 119.09 3iex s THR 6 Ca 0.40 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 3iex s THR 6 Cb -0.21 -3.13 -0.20 0.00 0.01 0.00 0.00 72.50 68.97 3iex s THR 6 CO 0.24 0.03 2.92 0.00 -0.69 0.00 0.00 174.62 177.12 3iex n ALA 7 N 2.82 5.33 -1.98 7.40 0.00 -1.26 -4.60 120.51 128.21 3iex n ALA 7 Ca 0.10 -1.57 -0.23 0.00 0.00 0.00 0.00 53.44 51.74 3iex n ALA 7 Cb 0.38 -2.39 0.09 0.00 0.00 0.00 0.00 19.45 17.52 3iex n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iex s ASN 8 N 2.27 4.62 0.21 0.00 2.20 -1.26 -4.90 114.94 118.09 3iex s ASN 8 Ca 0.53 -0.18 -0.08 0.00 -0.94 0.00 0.00 52.86 52.19 3iex s ASN 8 Cb 0.24 -0.36 0.17 0.00 -2.00 0.00 0.00 41.25 39.30 3iex s ASN 8 CO -0.00 -1.65 1.81 -0.29 -2.94 0.00 0.00 177.10 174.02 3iex h ILE 9 N -0.39 1.25 0.46 0.54 6.09 -1.96 -1.35 117.51 122.16 3iex h ILE 9 Ca -0.39 -0.70 -0.02 0.00 -1.37 0.00 0.00 64.86 62.38 3iex h ILE 9 Cb 1.28 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.80 3iex h ILE 9 CO 0.45 0.30 -0.22 -0.33 -3.07 0.00 0.00 178.15 175.28 3iex h GLU 10 N 1.15 -0.60 -0.50 2.19 3.07 -1.95 0.12 114.58 118.05 3iex h GLU 10 Ca 0.28 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.14 3iex h GLU 10 Cb 0.11 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3iex h GLU 10 CO -0.04 -0.35 0.14 -0.91 -1.40 0.00 0.00 179.01 176.45 3iex h ASN 11 N -0.72 0.69 -0.03 1.42 2.35 -1.80 -0.70 115.58 116.80 3iex h ASN 11 Ca -0.06 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.39 3iex h ASN 11 Cb 0.53 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3iex h ASN 11 CO 0.10 0.67 -0.64 0.58 -1.65 0.00 0.00 177.43 176.50 3iex h VAL 12 N 0.73 1.31 -0.04 2.81 2.07 -1.11 -1.97 116.25 120.06 3iex h VAL 12 Ca 0.17 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 3iex h VAL 12 Cb 0.24 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3iex h VAL 12 CO -0.01 0.59 0.02 0.11 0.02 0.00 0.00 177.57 178.31 3iex h LYS 13 N 0.47 0.05 -0.39 1.57 1.57 -0.42 0.57 116.57 120.00 3iex h LYS 13 Ca -0.01 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3iex h LYS 13 Cb 1.23 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 3iex h LYS 13 CO 0.13 0.11 -0.34 0.87 -0.57 0.00 0.00 179.45 179.65 3iex h LYS 14 N -0.02 -0.26 -0.07 3.15 1.57 -1.00 0.54 116.57 120.48 3iex h LYS 14 Ca 0.01 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3iex h LYS 14 Cb 0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3iex h LYS 14 CO -0.00 -0.17 0.02 0.28 -0.57 0.00 0.00 179.45 179.01 3iex h VAL 15 N -0.27 0.98 -0.33 0.50 2.07 -1.24 0.73 116.25 118.69 3iex h VAL 15 Ca 0.16 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3iex h VAL 15 Cb 0.55 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3iex h VAL 15 CO -0.54 0.01 -0.03 0.00 0.02 0.00 0.00 177.57 177.04 3iex h ALA 16 N 1.04 0.27 -0.68 1.67 0.00 -0.05 -0.28 119.26 121.23 3iex h ALA 16 Ca 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3iex h ALA 16 Cb 0.02 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3iex h ALA 16 CO -0.03 -0.42 0.24 0.45 0.00 0.00 0.00 179.25 179.49 3iex h HIS 17 N 0.06 1.07 -0.32 0.00 -0.00 0.39 0.75 115.15 117.10 3iex h HIS 17 Ca 0.16 -0.09 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 3iex h HIS 17 Cb 0.23 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.27 3iex h HIS 17 CO -0.26 0.84 0.00 0.45 -0.00 0.00 0.00 177.93 178.97 3iex h HIS 18 N 0.98 -0.01 -0.48 2.45 3.86 -0.22 -2.02 115.15 119.70 3iex h HIS 18 Ca 0.22 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3iex h HIS 18 Cb 0.25 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3iex h HIS 18 CO 0.02 -0.05 0.32 0.82 0.86 0.00 0.00 177.93 179.89 3iex h ILE 19 N 0.09 1.12 0.00 2.45 2.04 -0.37 -2.08 117.51 120.78 3iex h ILE 19 Ca 0.15 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3iex h ILE 19 Cb 0.21 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3iex h ILE 19 CO -0.26 0.12 0.00 1.56 0.00 0.00 0.00 178.15 179.57 3iex h GLN 20 N 0.66 0.00 0.00 2.37 4.20 -0.29 0.43 115.11 122.48 3iex h GLN 20 Ca 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3iex h GLN 20 Cb -0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3iex h GLN 20 CO -0.04 0.00 -0.08 0.87 -0.67 0.00 0.00 178.83 178.91 3iex h LYS 21 N 0.00 0.00 -0.01 1.46 1.57 -0.68 -3.32 116.57 115.59 3iex h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iex h LYS 21 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3iex h LYS 21 CO 0.00 0.08 -0.47 1.28 -0.57 0.00 0.00 179.45 179.77 3iex n LEU 22 N -3.14 1.51 -3.63 2.94 4.32 0.15 -4.95 117.00 114.19 3iex n LEU 22 Ca 0.02 -0.70 -0.15 0.00 -0.02 0.00 0.00 56.01 55.16 3iex n LEU 22 Cb 0.47 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.20 3iex n LEU 22 CO 0.33 0.30 0.30 0.28 -1.22 0.00 0.00 177.39 177.37 3iex s THR 23 N -2.18 0.01 -2.64 -5.08 -1.32 -0.94 -5.00 115.64 98.50 3iex s THR 23 Ca 0.13 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.80 3iex s THR 23 Cb 0.14 -0.86 0.43 0.00 -1.51 0.00 0.00 72.50 70.71 3iex s THR 23 CO 0.51 -0.04 1.58 -1.54 -2.21 0.00 0.00 174.62 172.92 3iex n SER 24 N 1.91 2.01 -4.63 8.08 3.41 -1.26 -4.61 113.62 118.53 3iex n SER 24 Ca -0.17 -1.67 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 3iex n SER 24 Cb 0.56 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3iex n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iex s ILE 25 N -1.98 4.30 -0.59 -1.33 -1.09 -1.26 -4.98 121.20 114.26 3iex s ILE 25 Ca 0.35 1.46 -0.20 0.00 -2.23 0.00 0.00 60.65 60.03 3iex s ILE 25 Cb 0.21 -4.33 0.09 0.00 -1.58 0.00 0.00 42.46 36.85 3iex s ILE 25 CO 0.32 -0.56 0.74 -0.69 -1.23 0.00 0.00 174.94 173.52 3iex s VAL 26 N 4.10 4.75 0.23 2.92 1.01 -1.26 -5.02 120.40 127.13 3iex s VAL 26 Ca 0.51 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3iex s VAL 26 Cb -0.13 -4.50 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 3iex s VAL 26 CO 0.21 -1.14 1.23 -2.16 0.00 0.00 0.00 175.10 173.24 3iex s PRO 27 N 2.90 4.46 -0.10 2.72 0.04 -1.25 -4.77 135.00 138.99 3iex s PRO 27 Ca 0.14 1.98 0.19 0.00 0.04 0.00 0.00 61.00 63.35 3iex s PRO 27 Cb -0.22 -3.19 -0.27 0.00 0.04 0.00 0.00 34.50 30.86 3iex s PRO 27 CO 0.07 -0.10 0.32 -1.91 0.04 0.00 0.00 177.00 175.42 3iex n GLU 28 N 2.01 0.67 -4.59 4.56 2.13 -0.06 -1.88 120.64 123.48 3iex n GLU 28 Ca 0.03 -0.05 -0.27 0.00 0.66 0.00 0.00 57.16 57.53 3iex n GLU 28 Cb 0.44 -1.56 -0.17 0.00 0.27 0.00 0.00 31.44 30.42 3iex n GLU 28 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3iex s ILE 29 N -2.92 1.37 -0.03 6.31 1.01 -0.93 0.41 121.20 126.41 3iex s ILE 29 Ca -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 3iex s ILE 29 Cb 0.09 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3iex s ILE 29 CO 0.86 0.41 0.22 -0.83 0.00 0.00 0.00 174.94 175.60 3iex s GLY 30 N 0.78 2.22 -0.09 6.18 0.00 0.10 -1.11 107.32 115.40 3iex s GLY 30 Ca -0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 3iex s GLY 30 CO 0.02 -0.41 -0.04 -0.42 0.00 0.00 0.00 173.10 172.25 3iex s ILE 31 N -1.21 0.69 -0.42 0.90 1.01 -0.10 0.22 121.20 122.29 3iex s ILE 31 Ca 0.24 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 3iex s ILE 31 Cb -0.13 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.59 3iex s ILE 31 CO 0.13 0.31 0.34 -0.63 0.00 0.00 0.00 174.94 175.09 3iex s ILE 32 N 1.79 5.22 -0.53 2.92 1.01 0.68 0.50 121.20 132.79 3iex s ILE 32 Ca 0.04 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 3iex s ILE 32 Cb -0.13 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 3iex s ILE 32 CO -0.06 -0.37 1.86 0.00 0.00 0.00 0.00 174.94 176.37 3iex n GLY 34 N 5.62 3.07 3.57 0.00 0.00 -1.18 -4.66 105.19 111.62 3iex n GLY 34 Ca 0.22 -2.07 -0.50 0.00 0.00 0.00 0.00 46.02 43.66 3iex n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iex n SER 35 N -0.83 1.24 0.00 1.61 2.88 -1.26 -2.02 113.62 115.25 3iex n SER 35 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 3iex n SER 35 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 3iex n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iex n GLY 36 N 2.07 1.43 0.43 0.46 0.00 -1.26 -4.36 105.19 103.96 3iex n GLY 36 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3iex n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iex n LEU 37 N 0.00 1.80 -0.34 0.99 4.77 -0.85 -4.09 117.00 119.27 3iex n LEU 37 Ca 0.00 -0.86 0.19 0.00 -0.03 0.00 0.00 56.01 55.31 3iex n LEU 37 Cb 0.00 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.51 3iex n LEU 37 CO 0.00 0.34 1.17 1.23 -1.33 0.00 0.00 177.39 178.80 3iex h GLY 38 N 2.99 1.78 1.57 -0.72 0.00 -1.89 0.14 103.07 106.94 3iex h GLY 38 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 3iex h GLY 38 CO 0.00 -0.24 -0.76 0.50 0.00 0.00 0.00 176.54 176.04 3iex h LYS 39 N 0.52 0.41 -0.14 4.80 1.57 -1.86 -3.21 116.57 118.66 3iex h LYS 39 Ca 0.64 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 59.12 3iex h LYS 39 Cb 1.33 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.67 3iex h LYS 39 CO -0.45 1.00 -0.20 1.25 -0.57 0.00 0.00 179.45 180.47 3iex h LEU 40 N 0.28 -0.63 -0.77 2.94 5.85 -1.03 -1.38 115.31 120.56 3iex h LEU 40 Ca -0.04 0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.97 3iex h LEU 40 Cb 1.35 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 42.53 3iex h LEU 40 CO 0.13 -0.25 -0.03 0.00 -0.34 0.00 0.00 178.44 177.95 3iex h ALA 41 N 0.76 0.76 0.00 1.25 0.00 -1.43 0.74 119.26 121.34 3iex h ALA 41 Ca 0.10 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3iex h ALA 41 Cb 0.41 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3iex h ALA 41 CO -0.29 -0.43 -0.02 -0.44 0.00 0.00 0.00 179.25 178.07 3iex h ASP 42 N 0.08 0.00 0.46 0.00 3.32 -1.28 -3.00 116.42 116.00 3iex h ASP 42 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3iex h ASP 42 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3iex h ASP 42 CO -0.70 0.02 -0.59 0.61 -1.72 0.00 0.00 179.24 176.86 3iex n GLY 43 N -0.33 -1.23 3.68 2.75 0.00 0.24 -4.90 105.19 105.40 3iex n GLY 43 Ca -0.01 -0.37 -0.51 0.00 0.00 0.00 0.00 46.02 45.13 3iex n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iex n VAL 44 N -1.56 0.37 -2.48 1.61 0.31 -1.14 -4.91 118.33 110.53 3iex n VAL 44 Ca 0.05 -0.07 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 3iex n VAL 44 Cb 0.35 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 3iex n VAL 44 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3iex s LYS 45 N 3.12 4.58 -1.34 5.55 -0.14 0.49 -3.76 119.74 128.25 3iex s LYS 45 Ca 0.91 1.78 -0.07 0.00 -1.36 0.00 0.00 55.97 57.23 3iex s LYS 45 Cb -0.81 -3.12 0.02 0.00 -1.68 0.00 0.00 37.83 32.24 3iex s LYS 45 CO 0.53 0.17 1.09 -0.25 -0.76 0.00 0.00 175.35 176.12 3iex n ASP 46 N 1.04 -4.82 -4.62 2.83 8.00 -1.26 -1.39 116.55 116.34 3iex n ASP 46 Ca -0.00 -0.61 -0.43 0.00 0.71 0.00 0.00 54.79 54.46 3iex n ASP 46 Cb 0.45 -4.84 -0.00 0.00 -0.02 0.00 0.00 41.12 36.71 3iex n ASP 46 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3iex n LYS 47 N -4.72 1.52 -4.04 -1.24 5.02 -1.25 -4.46 118.16 109.00 3iex n LYS 47 Ca -0.08 0.54 -0.34 0.00 -2.02 0.00 0.00 58.31 56.41 3iex n LYS 47 Cb 0.59 -2.04 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 3iex n LYS 47 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iex s ILE 48 N -1.17 2.79 -0.31 -0.18 1.01 0.33 -4.95 121.20 118.72 3iex s ILE 48 Ca 0.60 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 3iex s ILE 48 Cb -0.60 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 39.64 3iex s ILE 48 CO 0.59 0.48 0.14 -0.89 0.00 0.00 0.00 174.94 175.25 3iex s THR 49 N 1.35 4.40 -0.40 2.92 2.01 -1.26 -0.58 115.64 124.07 3iex s THR 49 Ca 0.05 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3iex s THR 49 Cb -0.14 -3.27 0.10 0.00 0.01 0.00 0.00 72.50 69.20 3iex s THR 49 CO -0.07 0.04 0.20 -0.63 -0.69 0.00 0.00 174.62 173.47 3iex s ILE 50 N 1.57 3.47 0.42 1.82 1.01 0.09 -4.96 121.20 124.62 3iex s ILE 50 Ca 0.04 -1.85 -0.26 0.00 0.00 0.00 0.00 60.65 58.58 3iex s ILE 50 Cb -0.17 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 3iex s ILE 50 CO 0.05 -0.59 1.36 -2.65 0.00 0.00 0.00 174.94 173.11 3iex n PRO 51 N 4.67 2.17 0.06 2.79 -0.02 -1.26 -0.73 135.00 142.68 3iex n PRO 51 Ca -0.05 0.77 0.19 0.00 -2.02 0.00 0.00 63.50 62.39 3iex n PRO 51 Cb 0.42 -2.50 0.72 0.00 -0.02 0.00 0.00 33.50 32.12 3iex n PRO 51 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3iex h TYR 52 N 2.32 0.00 0.00 6.00 0.05 -1.28 0.39 116.97 124.45 3iex h TYR 52 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 3iex h TYR 52 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 3iex h TYR 52 CO 0.49 0.00 0.00 1.79 -1.05 0.00 0.00 178.16 179.39 3iex h THR 53 N 0.00 0.00 -0.52 -2.88 1.35 -1.88 -2.33 112.91 106.65 3iex h THR 53 Ca 0.20 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3iex h THR 53 Cb 0.88 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3iex h THR 53 CO -0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 3iex n LYS 54 N -2.79 2.39 -3.95 4.72 4.76 0.13 -4.77 118.16 118.66 3iex n LYS 54 Ca 0.01 -2.15 -0.32 0.00 -2.87 0.00 0.00 58.31 52.98 3iex n LYS 54 Cb 0.25 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.82 3iex n LYS 54 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3iex s ILE 55 N -1.32 2.60 -0.04 -0.18 1.01 -0.88 -5.00 121.20 117.39 3iex s ILE 55 Ca 0.40 -2.46 -0.38 0.00 0.00 0.00 0.00 60.65 58.22 3iex s ILE 55 Cb 0.22 -2.86 -0.16 0.00 0.01 0.00 0.00 42.46 39.67 3iex s ILE 55 CO 0.29 -0.66 1.48 -2.65 0.00 0.00 0.00 174.94 173.40 3iex n PRO 56 N 4.12 1.15 -0.69 2.79 -0.02 -1.26 -0.78 135.00 140.31 3iex n PRO 56 Ca 0.03 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3iex n PRO 56 Cb 0.40 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3iex n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3iex n ASN 57 N 3.48 0.00 -4.77 2.55 5.03 -1.26 -4.61 115.26 115.68 3iex n ASN 57 Ca 0.21 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.28 3iex n ASN 57 Cb 0.17 -0.53 -0.03 0.00 -1.02 0.00 0.00 39.78 38.37 3iex n ASN 57 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3iex s PHE 58 N -3.13 3.28 0.33 3.10 5.36 0.04 -4.85 117.98 122.10 3iex s PHE 58 Ca 0.00 1.63 -0.29 0.00 -0.96 0.00 0.00 56.93 57.31 3iex s PHE 58 Cb 0.00 -3.24 -0.11 0.00 -0.34 0.00 0.00 43.02 39.33 3iex s PHE 58 CO 0.00 -0.81 1.53 -2.14 -1.46 0.00 0.00 175.22 172.34 3iex s PRO 59 N -2.21 4.12 -0.22 10.12 0.02 -1.26 -4.98 135.00 140.60 3iex s PRO 59 Ca 0.55 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 64.02 3iex s PRO 59 Cb -0.27 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 3iex s PRO 59 CO 0.34 -0.57 0.16 -0.65 -0.33 0.00 0.00 177.00 175.95 3iex s GLN 60 N -1.29 4.13 -0.01 5.54 -1.52 -1.26 -4.92 119.66 120.33 3iex s GLN 60 Ca 0.58 -0.21 -0.07 0.00 -1.95 0.00 0.00 55.36 53.71 3iex s GLN 60 Cb -0.47 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 28.84 3iex s GLN 60 CO 0.55 0.16 0.14 -0.08 -0.25 0.00 0.00 175.29 175.81 3iex s THR 61 N 0.76 0.07 0.13 -0.19 -1.32 -1.26 -5.09 115.64 108.74 3iex s THR 61 Ca 0.09 -0.55 0.07 0.00 -1.21 0.00 0.00 61.69 60.09 3iex s THR 61 Cb -0.13 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 3iex s THR 61 CO 0.02 -0.30 -0.17 -0.44 -2.21 0.00 0.00 174.62 171.52 3iex s SER 62 N -1.07 2.31 -0.42 8.08 0.01 -1.26 -0.83 113.70 120.53 3iex s SER 62 Ca -0.12 -0.79 -0.14 0.00 1.31 0.00 0.00 55.95 56.21 3iex s SER 62 Cb -0.06 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3iex s SER 62 CO 0.01 -0.07 0.30 -0.69 0.41 0.00 0.00 173.24 173.21 3iex s VAL 63 N -1.87 5.07 -0.60 3.43 1.01 0.14 -4.65 120.40 122.92 3iex s VAL 63 Ca 0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3iex s VAL 63 Cb -0.06 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3iex s VAL 63 CO 0.04 -0.36 0.23 0.55 0.00 0.00 0.00 175.10 175.56 3iex n VAL 64 N 5.13 -1.01 0.00 2.92 3.14 -1.26 -0.40 118.33 126.84 3iex n VAL 64 Ca -0.11 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 3iex n VAL 64 Cb 0.46 -0.88 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 3iex n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3iex n GLY 65 N -1.55 3.11 3.63 7.55 0.00 -1.26 -5.04 105.19 111.63 3iex n GLY 65 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3iex n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iex s HIS 66 N -2.92 3.29 0.46 1.61 0.09 0.46 -4.95 115.29 113.33 3iex s HIS 66 Ca 0.00 0.85 -0.24 0.00 -0.00 0.00 0.00 55.06 55.66 3iex s HIS 66 Cb 0.00 -2.85 -0.08 0.00 -0.00 0.00 0.00 32.58 29.64 3iex s HIS 66 CO 0.00 -0.32 1.31 0.45 -0.00 0.00 0.00 174.74 176.18 3iex n SER 67 N 5.69 2.66 -4.65 1.40 2.88 -1.26 0.26 113.62 120.61 3iex n SER 67 Ca -0.00 1.07 -0.30 0.00 -1.33 0.00 0.00 58.87 58.32 3iex n SER 67 Cb 0.49 -1.53 0.17 0.00 -0.75 0.00 0.00 64.21 62.59 3iex n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3iex s GLY 68 N -0.62 1.61 0.07 0.46 0.00 -0.01 -4.79 107.32 104.05 3iex s GLY 68 Ca 0.64 0.04 0.03 0.00 0.00 0.00 0.00 44.72 45.43 3iex s GLY 68 CO 0.56 0.58 -0.10 -1.31 0.00 0.00 0.00 173.10 172.83 3iex s ASN 69 N -3.04 1.27 -0.23 1.64 0.01 0.18 -0.79 114.94 113.99 3iex s ASN 69 Ca 0.65 -0.69 -0.12 0.00 -0.71 0.00 0.00 52.86 52.00 3iex s ASN 69 Cb -0.21 0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.42 3iex s ASN 69 CO 0.59 -0.21 0.22 -0.22 -1.51 0.00 0.00 177.10 175.97 3iex s LEU 70 N -2.02 4.14 -0.28 0.60 2.96 0.09 -0.06 118.68 124.11 3iex s LEU 70 Ca -0.01 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3iex s LEU 70 Cb -0.06 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.44 3iex s LEU 70 CO 0.00 0.04 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.43 3iex s ILE 71 N 1.05 3.17 0.02 6.68 1.01 0.20 -0.73 121.20 132.59 3iex s ILE 71 Ca 0.11 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 3iex s ILE 71 Cb -0.14 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3iex s ILE 71 CO 0.05 0.08 0.13 -0.36 0.00 0.00 0.00 174.94 174.84 3iex s PHE 72 N 1.34 3.38 -4.40 3.97 0.40 0.25 0.12 117.98 123.05 3iex s PHE 72 Ca -0.01 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 3iex s PHE 72 Cb -0.18 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.61 3iex s PHE 72 CO -0.02 0.58 0.00 0.41 0.70 0.00 0.00 175.22 176.89 3iex n GLY 73 N 0.79 -0.52 3.48 4.36 0.00 -1.01 0.12 105.19 112.40 3iex n GLY 73 Ca -0.10 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 3iex n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iex s THR 74 N -3.70 1.69 -0.26 2.61 -4.23 -0.48 -0.96 115.64 110.30 3iex s THR 74 Ca 0.00 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.38 3iex s THR 74 Cb 0.00 -2.63 0.14 0.00 1.34 0.00 0.00 72.50 71.36 3iex s THR 74 CO 0.00 -0.18 0.50 -0.22 -0.54 0.00 0.00 174.62 174.18 3iex s LEU 75 N -3.51 -0.96 -1.46 4.79 2.96 -0.32 -0.38 118.68 119.80 3iex s LEU 75 Ca 0.32 0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 54.92 3iex s LEU 75 Cb 0.05 1.68 0.06 0.00 0.50 0.00 0.00 46.19 48.48 3iex s LEU 75 CO 0.14 -0.26 0.97 -1.20 -1.32 0.00 0.00 176.35 174.68 3iex n SER 76 N 5.40 -4.41 -0.03 3.68 7.64 -1.26 -1.91 113.62 122.74 3iex n SER 76 Ca -0.05 -0.74 -0.00 0.00 1.01 0.00 0.00 58.87 59.08 3iex n SER 76 Cb 0.50 -4.14 -0.00 0.00 -1.01 0.00 0.00 64.21 59.56 3iex n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iex n GLY 77 N -1.72 0.36 3.41 0.23 0.00 -1.26 -4.47 105.19 101.74 3iex n GLY 77 Ca -0.03 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3iex n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iex s ARG 78 N -0.82 2.29 -0.03 1.61 1.81 -0.80 -5.08 118.95 117.93 3iex s ARG 78 Ca 0.00 -0.83 -0.30 0.00 -1.72 0.00 0.00 55.73 52.88 3iex s ARG 78 Cb 0.00 -2.22 -0.05 0.00 -0.45 0.00 0.00 34.95 32.23 3iex s ARG 78 CO 0.00 0.59 1.34 0.15 -0.68 0.00 0.00 175.30 176.70 3iex s LYS 79 N -0.80 4.30 0.12 3.54 1.02 -1.26 -1.18 119.74 125.48 3iex s LYS 79 Ca 0.11 1.86 0.05 0.00 0.02 0.00 0.00 55.97 58.02 3iex s LYS 79 Cb -0.10 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 3iex s LYS 79 CO 0.01 -0.55 -0.13 0.14 -0.92 0.00 0.00 175.35 173.89 3iex s VAL 80 N 2.44 1.26 -0.15 3.17 -7.23 -0.13 -0.88 120.40 118.89 3iex s VAL 80 Ca 0.61 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 3iex s VAL 80 Cb -0.29 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.15 3iex s VAL 80 CO 0.24 -0.45 -0.20 0.54 -0.31 0.00 0.00 175.10 174.92 3iex s VAL 81 N -2.23 1.94 -0.20 1.32 0.11 -0.27 -2.41 120.40 118.67 3iex s VAL 81 Ca 0.09 -0.89 -0.09 0.00 -2.93 0.00 0.00 61.98 58.15 3iex s VAL 81 Cb -0.04 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.02 3iex s VAL 81 CO 0.02 0.52 0.10 -0.69 -3.33 0.00 0.00 175.10 171.73 3iex s VAL 82 N 1.01 5.10 -0.48 2.04 1.01 0.33 -0.92 120.40 128.49 3iex s VAL 82 Ca -0.03 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 3iex s VAL 82 Cb -0.15 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3iex s VAL 82 CO -0.05 0.44 0.76 -0.04 0.00 0.00 0.00 175.10 176.20 3iex s MET 83 N 0.45 3.31 -0.70 2.72 -1.94 0.18 0.59 119.30 123.91 3iex s MET 83 Ca 0.06 -0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 53.56 3iex s MET 83 Cb -0.12 -4.00 0.18 0.00 2.01 0.00 0.00 34.83 32.91 3iex s MET 83 CO -0.00 -1.19 0.63 -1.14 -0.01 0.00 0.00 175.02 173.30 3iex s GLN 84 N 3.21 3.25 0.00 2.03 0.74 0.92 -1.86 119.66 127.94 3iex s GLN 84 Ca 0.26 -2.19 0.00 0.00 0.05 0.00 0.00 55.36 53.48 3iex s GLN 84 Cb -0.14 -4.29 0.00 0.00 1.10 0.00 0.00 33.01 29.68 3iex s GLN 84 CO 0.19 -1.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 3iex n GLY 85 N 4.39 2.52 3.98 2.59 0.00 -1.26 0.51 105.19 117.92 3iex n GLY 85 Ca 0.03 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 3iex n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iex s ARG 86 N -1.30 3.04 -0.41 1.61 0.52 -1.26 -4.87 118.95 116.27 3iex s ARG 86 Ca 0.00 -1.07 -0.03 0.00 -0.52 0.00 0.00 55.73 54.11 3iex s ARG 86 Cb 0.00 -2.78 0.11 0.00 0.52 0.00 0.00 34.95 32.79 3iex s ARG 86 CO 0.00 0.01 0.20 -0.06 0.02 0.00 0.00 175.30 175.46 3iex s PHE 87 N -2.22 3.57 0.09 -0.53 0.08 -1.26 -4.98 117.98 112.74 3iex s PHE 87 Ca 0.46 -2.38 -0.23 0.00 0.12 0.00 0.00 56.93 54.91 3iex s PHE 87 Cb -0.09 -3.18 -0.07 0.00 -0.57 0.00 0.00 43.02 39.11 3iex s PHE 87 CO 0.31 -0.97 0.68 -1.01 -0.10 0.00 0.00 175.22 174.13 3iex s HIS 88 N 1.15 3.81 0.51 0.36 3.76 -1.26 -4.82 115.29 118.81 3iex s HIS 88 Ca 0.08 1.43 0.27 0.00 -0.15 0.00 0.00 55.06 56.68 3iex s HIS 88 Cb -0.23 -2.66 1.60 0.00 1.11 0.00 0.00 32.58 32.40 3iex s HIS 88 CO -0.04 0.48 2.16 0.52 -0.85 0.00 0.00 174.74 177.01 3iex h MET 89 N 4.81 0.00 0.00 1.40 0.00 -1.86 -1.46 114.93 117.82 3iex h MET 89 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.22 3iex h MET 89 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.81 3iex h MET 89 CO 0.66 0.06 -0.06 0.10 0.00 0.00 0.00 176.91 177.68 3iex h TYR 90 N 0.00 0.00 0.00 -0.22 -0.00 -1.86 -0.87 116.97 114.03 3iex h TYR 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3iex h TYR 90 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.88 3iex h TYR 90 CO 0.00 0.06 0.00 0.39 -0.00 0.00 0.00 178.16 178.61 3iex n GLU 91 N -3.15 0.05 -0.21 0.10 -0.58 -0.55 -4.81 120.64 111.49 3iex n GLU 91 Ca 0.01 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 3iex n GLU 91 Cb 0.39 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3iex n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iex n GLY 92 N 0.66 0.88 3.72 0.62 0.00 -0.33 -5.06 105.19 105.68 3iex n GLY 92 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3iex n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iex s TYR 93 N -2.03 2.05 0.65 1.61 2.02 -1.25 -5.00 117.35 115.41 3iex s TYR 93 Ca 0.00 1.57 -0.07 0.00 -0.37 0.00 0.00 57.07 58.19 3iex s TYR 93 Cb 0.00 -3.55 0.03 0.00 -0.40 0.00 0.00 41.96 38.04 3iex s TYR 93 CO 0.00 -2.71 0.98 -1.54 -1.57 0.00 0.00 175.55 170.71 3iex s SER 94 N -1.81 5.27 0.22 2.29 1.04 -1.26 -4.76 113.70 114.69 3iex s SER 94 Ca 0.77 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 3iex s SER 94 Cb -0.32 -1.52 0.24 0.00 0.10 0.00 0.00 66.02 64.52 3iex s SER 94 CO 0.43 -1.31 1.87 0.78 0.98 0.00 0.00 173.24 175.98 3iex h ASN 95 N -0.42 0.84 -0.47 7.02 2.35 -1.94 -1.57 115.58 121.39 3iex h ASN 95 Ca -0.45 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.25 3iex h ASN 95 Cb 1.28 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 3iex h ASN 95 CO 0.61 0.58 0.11 0.44 -1.65 0.00 0.00 177.43 177.52 3iex h ASP 96 N 0.99 0.71 -0.24 5.81 3.32 -1.89 0.92 116.42 126.05 3iex h ASP 96 Ca 0.32 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3iex h ASP 96 Cb 0.02 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3iex h ASP 96 CO -0.12 0.76 0.00 0.74 -1.72 0.00 0.00 179.24 178.91 3iex h THR 97 N 0.63 0.83 -0.49 0.35 2.02 -1.71 0.18 112.91 114.73 3iex h THR 97 Ca 0.15 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 3iex h THR 97 Cb 0.33 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3iex h THR 97 CO 0.00 0.01 -0.10 0.58 0.37 0.00 0.00 175.52 176.39 3iex h VAL 98 N 0.08 1.26 -0.16 3.16 2.07 -1.10 -3.13 116.25 118.44 3iex h VAL 98 Ca 0.11 -1.21 -0.17 0.00 0.82 0.00 0.00 66.70 66.25 3iex h VAL 98 Cb 0.14 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3iex h VAL 98 CO -0.19 0.42 -0.61 0.00 0.02 0.00 0.00 177.57 177.21 3iex h ALA 99 N 1.07 0.64 -0.20 1.67 0.00 -0.28 -3.35 119.26 118.82 3iex h ALA 99 Ca 0.13 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3iex h ALA 99 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3iex h ALA 99 CO 0.04 0.71 0.06 1.25 0.00 0.00 0.00 179.25 181.31 3iex h LEU 100 N 0.40 0.06 -1.64 0.00 6.46 -0.60 -1.20 115.31 118.79 3iex h LEU 100 Ca -0.01 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3iex h LEU 100 Cb 1.17 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.10 3iex h LEU 100 CO 0.11 0.06 0.26 -0.65 -0.62 0.00 0.00 178.44 177.61 3iex h PRO 101 N 0.15 0.47 -0.25 5.25 0.11 -1.71 0.26 132.00 136.28 3iex h PRO 101 Ca 0.09 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 3iex h PRO 101 Cb 0.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3iex h PRO 101 CO -0.09 0.31 -0.47 0.82 -0.21 0.00 0.00 178.00 178.36 3iex h ILE 102 N 0.48 1.30 -0.41 4.15 1.08 -1.43 -1.34 117.51 121.33 3iex h ILE 102 Ca 0.15 -1.67 -0.08 0.00 -0.39 0.00 0.00 64.86 62.87 3iex h ILE 102 Cb 0.02 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3iex h ILE 102 CO -0.03 0.53 -0.09 0.03 -0.69 0.00 0.00 178.15 177.90 3iex h ARG 103 N 0.50 0.71 -0.38 2.37 3.08 -0.56 -1.08 114.38 119.03 3iex h ARG 103 Ca 0.01 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.86 3iex h ARG 103 Cb 1.07 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 3iex h ARG 103 CO 0.10 0.79 0.21 0.28 -1.07 0.00 0.00 179.97 180.29 3iex h VAL 104 N 0.65 1.03 -0.89 2.04 2.07 -0.37 -1.55 116.25 119.23 3iex h VAL 104 Ca 0.12 -0.15 0.13 0.00 0.82 0.00 0.00 66.70 67.62 3iex h VAL 104 Cb 0.54 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 3iex h VAL 104 CO 0.03 0.08 0.50 0.24 0.02 0.00 0.00 177.57 178.44 3iex h MET 105 N 0.43 0.73 0.20 1.57 2.86 -0.55 0.51 114.93 120.69 3iex h MET 105 Ca 0.15 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3iex h MET 105 Cb 0.02 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3iex h MET 105 CO -0.08 0.49 -0.28 -0.22 1.06 0.00 0.00 176.91 177.88 3iex h LYS 106 N 0.76 -0.52 0.00 1.72 1.63 -0.28 -0.07 116.57 119.80 3iex h LYS 106 Ca 0.46 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.26 3iex h LYS 106 Cb 0.56 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3iex h LYS 106 CO -0.31 -0.35 -0.16 -0.07 -3.45 0.00 0.00 179.45 175.10 3iex h LEU 107 N -0.54 0.00 -0.84 5.20 3.38 -0.51 -1.84 115.31 120.15 3iex h LEU 107 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iex h LEU 107 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3iex h LEU 107 CO -0.11 0.16 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 3iex h LEU 108 N 0.00 0.00 0.00 1.67 3.38 -0.34 -3.46 115.31 116.55 3iex h LEU 108 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iex h LEU 108 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iex h LEU 108 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3iex n GLY 109 N 0.37 1.26 3.71 0.83 0.00 -0.69 -3.94 105.19 106.73 3iex n GLY 109 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3iex n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iex s VAL 110 N -2.00 2.73 -0.09 1.61 1.01 -0.09 -4.19 120.40 119.37 3iex s VAL 110 Ca 0.00 0.45 0.12 0.00 0.00 0.00 0.00 61.98 62.55 3iex s VAL 110 Cb 0.00 -3.29 -0.17 0.00 0.00 0.00 0.00 36.38 32.92 3iex s VAL 110 CO 0.00 0.02 0.13 0.29 0.00 0.00 0.00 175.10 175.54 3iex n LYS 111 N 4.42 1.43 -4.24 2.72 4.76 0.17 -4.61 118.16 122.80 3iex n LYS 111 Ca 0.14 -0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.34 3iex n LYS 111 Cb 0.39 -1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 32.10 3iex n LYS 111 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3iex s ILE 112 N -2.52 0.60 -0.21 -0.18 1.01 -1.02 -1.11 121.20 117.77 3iex s ILE 112 Ca -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 3iex s ILE 112 Cb 0.05 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 3iex s ILE 112 CO 0.53 0.22 -0.02 -0.22 0.00 0.00 0.00 174.94 175.44 3iex s LEU 113 N 0.51 3.09 -0.16 2.97 2.96 0.32 0.02 118.68 128.39 3iex s LEU 113 Ca -0.07 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3iex s LEU 113 Cb -0.11 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3iex s LEU 113 CO 0.00 0.03 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.98 3iex s MET 114 N 1.22 3.65 0.00 1.98 -1.94 0.13 -0.04 119.30 124.31 3iex s MET 114 Ca 0.03 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 3iex s MET 114 Cb -0.14 -2.92 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 3iex s MET 114 CO 0.00 0.22 -0.04 0.54 -0.01 0.00 0.00 175.02 175.73 3iex s VAL 115 N 0.42 0.30 0.28 -6.03 0.11 0.16 -0.23 120.40 115.41 3iex s VAL 115 Ca -0.04 -0.26 0.10 0.00 -2.93 0.00 0.00 61.98 58.85 3iex s VAL 115 Cb -0.14 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3iex s VAL 115 CO 0.03 0.02 -0.07 -0.94 -3.33 0.00 0.00 175.10 170.81 3iex s SER 116 N -0.27 4.19 0.26 3.54 1.04 -1.13 -1.04 113.70 120.30 3iex s SER 116 Ca -0.00 -0.80 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 3iex s SER 116 Cb -0.02 -0.64 -0.00 0.00 0.10 0.00 0.00 66.02 65.46 3iex s SER 116 CO -0.00 -0.00 0.48 0.54 0.98 0.00 0.00 173.24 175.23 3iex s ASN 117 N -3.62 0.05 -0.08 7.02 2.20 -0.28 -3.10 114.94 117.13 3iex s ASN 117 Ca 0.31 -1.03 -0.08 0.00 -0.94 0.00 0.00 52.86 51.12 3iex s ASN 117 Cb -0.06 0.60 -0.04 0.00 -2.00 0.00 0.00 41.25 39.75 3iex s ASN 117 CO 0.18 -1.17 0.20 0.00 -2.94 0.00 0.00 177.10 173.37 3iex s ALA 118 N -3.83 3.85 0.05 3.54 0.00 -1.26 -0.16 121.76 123.94 3iex s ALA 118 Ca 0.24 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 3iex s ALA 118 Cb -0.01 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.08 3iex s ALA 118 CO 0.11 0.60 0.24 0.00 0.00 0.00 0.00 175.76 176.71 3iex s ALA 119 N -1.08 -0.46 0.15 0.00 0.00 0.03 -4.66 121.76 115.74 3iex s ALA 119 Ca 0.18 -0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 3iex s ALA 119 Cb -0.13 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 3iex s ALA 119 CO 0.07 -0.41 0.75 0.20 0.00 0.00 0.00 175.76 176.37 3iex s GLY 120 N -2.24 2.88 -0.49 0.00 0.00 0.12 -0.85 107.32 106.74 3iex s GLY 120 Ca -0.03 0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.74 3iex s GLY 120 CO -0.05 0.82 1.00 -0.32 0.00 0.00 0.00 173.10 174.55 3iex s GLY 121 N -1.08 1.39 -0.17 0.20 0.00 0.18 -1.23 107.32 106.60 3iex s GLY 121 Ca 0.35 -0.77 -0.25 0.00 0.00 0.00 0.00 44.72 44.04 3iex s GLY 121 CO 0.25 2.17 0.49 1.41 0.00 0.00 0.00 173.10 177.42 3iex h LEU 122 N 10.89 0.01 -9.25 0.66 3.38 -0.54 0.08 115.31 120.54 3iex h LEU 122 Ca -0.24 -0.75 -0.67 0.00 0.09 0.00 0.00 57.88 56.31 3iex h LEU 122 Cb 1.07 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.84 3iex h LEU 122 CO 1.07 1.26 0.87 -3.20 0.09 0.00 0.00 178.44 178.53 3iex n ASN 123 N -4.50 2.67 0.20 -0.43 2.85 0.17 -4.83 115.26 111.39 3iex n ASN 123 Ca -0.21 1.05 0.15 0.00 -0.11 0.00 0.00 54.58 55.45 3iex n ASN 123 Cb 0.59 -1.26 0.66 0.00 1.24 0.00 0.00 39.78 41.01 3iex n ASN 123 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3iex h ARG 124 N 7.16 0.00 -0.00 1.20 2.47 -1.91 -2.16 114.38 121.14 3iex h ARG 124 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3iex h ARG 124 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 3iex h ARG 124 CO 0.91 0.00 -0.19 -1.13 0.56 0.00 0.00 179.97 180.12 3iex n SER 125 N -2.58 0.24 -4.78 7.04 3.41 -1.26 -4.87 113.62 110.83 3iex n SER 125 Ca 0.00 0.07 -0.37 0.00 -0.26 0.00 0.00 58.87 58.31 3iex n SER 125 Cb 0.19 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3iex n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iex s LEU 126 N -2.91 4.22 0.10 1.04 1.43 -0.82 -5.05 118.68 116.68 3iex s LEU 126 Ca 0.16 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 3iex s LEU 126 Cb 0.19 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3iex s LEU 126 CO 0.58 -0.44 -0.12 -0.54 0.23 0.00 0.00 176.35 176.06 3iex s LYS 127 N -2.30 2.09 0.05 1.70 1.02 -1.26 -5.02 119.74 116.03 3iex s LYS 127 Ca 0.55 -1.03 -0.37 0.00 0.02 0.00 0.00 55.97 55.14 3iex s LYS 127 Cb -0.24 -2.28 -0.17 0.00 -0.52 0.00 0.00 37.83 34.62 3iex s LYS 127 CO 0.30 0.51 1.33 1.28 -0.92 0.00 0.00 175.35 177.85 3iex n LEU 128 N 0.82 1.46 0.00 3.17 4.32 -1.26 -1.45 117.00 124.06 3iex n LEU 128 Ca -0.14 1.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 3iex n LEU 128 Cb 0.52 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 3iex n LEU 128 CO 0.32 -1.13 0.00 0.61 -1.22 0.00 0.00 177.39 175.97 3iex n GLY 129 N 2.49 0.92 3.73 -0.72 0.00 0.45 -5.01 105.19 107.04 3iex n GLY 129 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3iex n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iex s ASP 130 N -2.72 4.51 -0.27 1.61 1.01 -0.52 -4.73 116.67 115.56 3iex s ASP 130 Ca 0.00 2.34 -0.08 0.00 0.71 0.00 0.00 52.55 55.52 3iex s ASP 130 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3iex s ASP 130 CO 0.00 -2.05 0.09 -0.36 0.21 0.00 0.00 175.17 173.06 3iex s PHE 131 N -1.92 3.12 -0.51 4.23 2.99 0.67 -0.81 117.98 125.75 3iex s PHE 131 Ca 0.75 -0.53 -0.11 0.00 0.00 0.00 0.00 56.93 57.03 3iex s PHE 131 Cb -0.29 -2.27 0.13 0.00 0.00 0.00 0.00 43.02 40.59 3iex s PHE 131 CO 0.42 -0.41 0.41 0.08 -0.00 0.00 0.00 175.22 175.72 3iex s VAL 132 N 1.60 4.55 0.16 -0.44 1.01 0.12 0.33 120.40 127.73 3iex s VAL 132 Ca 0.05 -1.74 -0.32 0.00 0.00 0.00 0.00 61.98 59.97 3iex s VAL 132 Cb -0.16 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3iex s VAL 132 CO 0.04 -0.82 1.77 -0.38 0.00 0.00 0.00 175.10 175.72 3iex n ILE 133 N 4.96 0.19 -2.33 2.22 5.41 0.52 0.51 119.36 130.84 3iex n ILE 133 Ca -0.09 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.20 3iex n ILE 133 Cb 0.41 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.30 3iex n ILE 133 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3iex s LEU 134 N 1.98 4.26 0.00 1.39 1.02 0.10 -1.11 118.68 126.32 3iex s LEU 134 Ca 0.79 1.90 0.12 0.00 0.02 0.00 0.00 54.13 56.96 3iex s LEU 134 Cb -0.51 -3.55 -0.08 0.00 0.02 0.00 0.00 46.19 42.07 3iex s LEU 134 CO 0.36 -0.71 0.58 2.29 0.02 0.00 0.00 176.35 178.89 3iex n LYS 135 N 5.88 2.67 -3.74 1.70 2.85 -0.55 -4.64 118.16 122.33 3iex n LYS 135 Ca 0.13 -0.27 -0.01 0.00 -1.05 0.00 0.00 58.31 57.11 3iex n LYS 135 Cb 0.45 -1.09 -0.00 0.00 -0.65 0.00 0.00 35.03 33.73 3iex n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3iex s ASP 136 N -1.89 -0.09 0.11 -5.58 3.68 -1.22 -4.59 116.67 107.09 3iex s ASP 136 Ca 0.07 -0.33 -0.08 0.00 2.13 0.00 0.00 52.55 54.33 3iex s ASP 136 Cb 0.09 0.34 -0.01 0.00 -1.45 0.00 0.00 42.92 41.90 3iex s ASP 136 CO 0.41 -0.65 0.21 -1.38 0.13 0.00 0.00 175.17 173.90 3iex s HIS 137 N -2.71 0.25 -0.23 -5.34 -3.43 -1.26 -1.42 115.29 101.16 3iex s HIS 137 Ca 0.16 -0.66 0.01 0.00 -0.80 0.00 0.00 55.06 53.77 3iex s HIS 137 Cb 0.01 -0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.14 3iex s HIS 137 CO 0.00 -0.60 -0.10 0.42 -2.00 0.00 0.00 174.74 172.47 3iex s ILE 138 N -3.90 1.80 -1.18 -5.38 1.01 0.72 -4.89 121.20 109.37 3iex s ILE 138 Ca 0.09 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 3iex s ILE 138 Cb 0.04 -1.92 0.21 0.00 0.01 0.00 0.00 42.46 40.80 3iex s ILE 138 CO -0.07 0.05 1.35 0.00 0.00 0.00 0.00 174.94 176.27 3iex n TYR 139 N 4.60 4.95 -0.14 3.97 -0.00 -1.26 -1.29 117.16 127.98 3iex n TYR 139 Ca -0.14 -3.51 -0.04 0.00 -0.00 0.00 0.00 57.90 54.21 3iex n TYR 139 Cb 0.45 -2.01 0.05 0.00 -0.00 0.00 0.00 39.34 37.83 3iex n TYR 139 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3iex h LEU 140 N 8.55 0.13 -1.26 2.98 3.38 -1.96 0.15 115.31 127.29 3iex h LEU 140 Ca 0.27 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3iex h LEU 140 Cb 0.86 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3iex h LEU 140 CO 1.19 0.10 0.25 -0.65 0.09 0.00 0.00 178.44 179.42 3iex h PRO 141 N 0.31 0.76 -0.80 1.13 0.11 -1.88 -1.33 132.00 130.29 3iex h PRO 141 Ca 0.22 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 3iex h PRO 141 Cb 0.23 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 3iex h PRO 141 CO -0.24 0.60 0.34 0.78 -0.21 0.00 0.00 178.00 179.27 3iex h GLY 142 N 0.87 1.27 1.58 -0.55 0.00 -1.12 0.71 103.07 105.84 3iex h GLY 142 Ca 0.19 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3iex h GLY 142 CO -0.02 0.63 -0.39 1.41 0.00 0.00 0.00 176.54 178.17 3iex h LEU 143 N 1.16 0.49 0.00 3.11 3.38 -0.32 -3.37 115.31 119.76 3iex h LEU 143 Ca 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iex h LEU 143 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3iex h LEU 143 CO -0.03 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.95 3iex n GLY 144 N -0.09 -1.42 1.53 0.83 0.00 -0.55 -4.92 105.19 100.58 3iex n GLY 144 Ca -0.01 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 3iex n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iex n LEU 145 N 0.00 4.85 -1.31 0.99 4.77 -1.22 -4.58 117.00 120.50 3iex n LEU 145 Ca 0.00 -4.06 -0.09 0.00 -0.03 0.00 0.00 56.01 51.83 3iex n LEU 145 Cb 0.00 -0.63 0.13 0.00 -2.33 0.00 0.00 43.42 40.59 3iex n LEU 145 CO 0.00 1.47 0.37 0.59 -1.33 0.00 0.00 177.39 178.49 3iex n ASN 146 N -1.02 3.33 -4.74 -1.43 5.03 0.20 -4.96 115.26 111.67 3iex n ASN 146 Ca 0.40 -3.83 -0.41 0.00 0.87 0.00 0.00 54.58 51.61 3iex n ASN 146 Cb 1.00 -0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 3iex n ASN 146 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3iex s ASN 147 N -3.24 6.95 0.64 6.41 3.84 -1.19 -4.10 114.94 124.24 3iex s ASN 147 Ca 0.45 2.37 0.30 0.00 0.21 0.00 0.00 52.86 56.19 3iex s ASN 147 Cb 0.40 -2.61 1.62 0.00 -0.55 0.00 0.00 41.25 40.11 3iex s ASN 147 CO -0.01 -0.48 1.94 -0.29 -2.79 0.00 0.00 177.10 175.47 3iex h ILE 148 N 3.71 0.13 -0.01 -5.21 2.10 -1.93 0.09 117.51 116.38 3iex h ILE 148 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 3iex h ILE 148 Cb 1.21 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3iex h ILE 148 CO 0.76 0.00 -0.15 0.18 -1.08 0.00 0.00 178.15 177.86 3iex n LEU 149 N -3.17 1.42 -4.72 2.19 4.77 -1.26 -4.76 117.00 111.47 3iex n LEU 149 Ca 0.01 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.12 3iex n LEU 149 Cb 0.43 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3iex n LEU 149 CO 0.18 0.25 1.08 0.52 -1.33 0.00 0.00 177.39 178.09 3iex n VAL 150 N -0.14 1.41 0.00 4.08 0.31 0.01 -4.73 118.33 119.27 3iex n VAL 150 Ca 0.15 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3iex n VAL 150 Cb 0.38 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3iex n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iex n GLY 151 N 1.53 1.20 3.65 2.92 0.00 -1.26 -4.99 105.19 108.24 3iex n GLY 151 Ca 0.07 -2.20 -0.47 0.00 0.00 0.00 0.00 46.02 43.42 3iex n GLY 151 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iex n PRO 152 N -0.42 1.87 -2.08 1.61 -0.04 -1.26 -4.88 135.00 129.81 3iex n PRO 152 Ca 0.00 0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 63.72 3iex n PRO 152 Cb 0.00 -2.38 -0.02 0.00 -0.04 0.00 0.00 33.50 31.05 3iex n PRO 152 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3iex s ASN 153 N 0.66 6.73 -0.96 3.54 2.47 -1.26 -4.95 114.94 121.17 3iex s ASN 153 Ca 0.78 2.65 -0.19 0.00 0.42 0.00 0.00 52.86 56.52 3iex s ASN 153 Cb -0.74 -2.63 0.13 0.00 -1.45 0.00 0.00 41.25 36.55 3iex s ASN 153 CO 0.42 -0.61 1.18 -1.10 -3.72 0.00 0.00 177.10 173.27 3iex s GLN 154 N -0.98 3.64 0.53 0.43 -1.52 -1.26 -4.86 119.66 115.64 3iex s GLN 154 Ca 0.54 -1.77 0.26 0.00 -1.95 0.00 0.00 55.36 52.44 3iex s GLN 154 Cb -0.40 -4.97 1.39 0.00 -0.22 0.00 0.00 33.01 28.81 3iex s GLN 154 CO 0.47 -1.81 1.98 0.93 -0.25 0.00 0.00 175.29 176.61 3iex h GLU 155 N 8.78 0.02 -0.20 2.91 4.39 -1.93 0.19 114.58 128.74 3iex h GLU 155 Ca 0.17 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.93 3iex h GLU 155 Cb 1.01 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3iex h GLU 155 CO 1.14 0.01 0.22 0.00 -1.16 0.00 0.00 179.01 179.23 3iex h ALA 156 N 1.71 1.82 0.00 3.43 0.00 -1.99 -3.01 119.26 121.21 3iex h ALA 156 Ca 0.28 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3iex h ALA 156 Cb 1.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3iex h ALA 156 CO -0.01 -0.33 -1.68 1.19 0.00 0.00 0.00 179.25 178.43 3iex n PHE 157 N -3.77 0.00 0.00 0.00 3.72 0.66 -5.06 117.46 113.00 3iex n PHE 157 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3iex n PHE 157 Cb 0.35 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 3iex n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iex n GLY 158 N 1.96 -0.95 3.90 1.37 0.00 -1.10 -3.25 105.19 107.13 3iex n GLY 158 Ca -0.09 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 3iex n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iex s THR 159 N -2.00 2.83 0.15 2.61 -1.32 -1.26 -4.09 115.64 112.56 3iex s THR 159 Ca 0.00 0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 60.48 3iex s THR 159 Cb 0.00 -3.24 0.03 0.00 -1.51 0.00 0.00 72.50 67.77 3iex s THR 159 CO 0.00 -0.30 1.65 -0.09 -2.21 0.00 0.00 174.62 173.67 3iex h ARG 160 N -0.71 0.81 -3.12 7.08 9.65 -1.97 -3.36 114.38 122.77 3iex h ARG 160 Ca -0.45 -0.21 -0.63 0.00 -1.10 0.00 0.00 59.98 57.60 3iex h ARG 160 Cb 1.29 -0.10 -0.42 0.00 -1.39 0.00 0.00 29.97 29.35 3iex h ARG 160 CO 0.63 0.79 -0.56 -0.06 2.80 0.00 0.00 179.97 183.58 3iex s PHE 161 N -5.25 3.57 0.25 2.20 0.08 -1.26 -5.01 117.98 112.56 3iex s PHE 161 Ca -0.13 -3.32 -0.30 0.00 0.12 0.00 0.00 56.93 53.30 3iex s PHE 161 Cb 0.11 -2.74 -0.10 0.00 -0.57 0.00 0.00 43.02 39.73 3iex s PHE 161 CO 0.80 -0.57 1.33 -1.25 -0.10 0.00 0.00 175.22 175.43 3iex s PRO 162 N -1.38 4.37 0.33 0.24 0.04 -1.26 -5.01 135.00 132.34 3iex s PRO 162 Ca 0.24 2.14 -0.24 0.00 0.04 0.00 0.00 61.00 63.19 3iex s PRO 162 Cb -0.06 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.24 3iex s PRO 162 CO -0.15 -0.24 0.91 0.00 0.04 0.00 0.00 177.00 177.55 3iex s ALA 163 N -0.35 3.21 -0.33 8.56 0.00 -1.26 -4.96 121.76 126.63 3iex s ALA 163 Ca 0.54 0.42 0.08 0.00 0.00 0.00 0.00 51.96 53.01 3iex s ALA 163 Cb -0.38 -3.11 0.57 0.00 0.00 0.00 0.00 23.12 20.20 3iex s ALA 163 CO 0.44 0.19 1.60 1.28 0.00 0.00 0.00 175.76 179.27 3iex n LEU 164 N 0.27 4.92 -4.71 0.00 4.77 -1.26 -4.92 117.00 116.07 3iex n LEU 164 Ca 0.03 -3.66 -0.42 0.00 -0.03 0.00 0.00 56.01 51.93 3iex n LEU 164 Cb 0.51 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3iex n LEU 164 CO 0.42 1.15 1.31 -0.55 -1.33 0.00 0.00 177.39 178.39 3iex s SER 165 N -2.09 6.52 -1.43 -1.43 0.15 -1.26 -2.48 113.70 111.68 3iex s SER 165 Ca 0.48 2.67 -0.08 0.00 0.70 0.00 0.00 55.95 59.72 3iex s SER 165 Cb 0.42 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 3iex s SER 165 CO 0.04 -0.89 0.64 -3.20 1.20 0.00 0.00 173.24 171.03 3iex n ASN 166 N 4.51 -4.99 -0.26 5.45 5.15 -1.26 -4.84 115.26 119.02 3iex n ASN 166 Ca 0.15 -0.40 0.02 0.00 -0.60 0.00 0.00 54.58 53.75 3iex n ASN 166 Cb 0.38 -4.05 0.15 0.00 -0.53 0.00 0.00 39.78 35.73 3iex n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iex h ALA 167 N 0.99 1.05 -2.54 5.20 0.00 -1.83 -3.23 119.26 118.90 3iex h ALA 167 Ca -0.50 0.06 -0.76 0.00 0.00 0.00 0.00 54.91 53.71 3iex h ALA 167 Cb 1.34 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 3iex h ALA 167 CO 0.57 -0.03 0.36 0.71 0.00 0.00 0.00 179.25 180.85 3iex s TYR 168 N -6.04 3.63 -0.47 0.00 1.51 -1.26 -4.00 117.35 110.71 3iex s TYR 168 Ca -0.12 -1.90 -0.46 0.00 -1.01 0.00 0.00 57.07 53.58 3iex s TYR 168 Cb 0.19 -3.96 -0.19 0.00 -0.11 0.00 0.00 41.96 37.89 3iex s TYR 168 CO 0.77 -1.13 1.66 -3.47 -1.11 0.00 0.00 175.55 172.27 3iex n ASP 169 N 4.58 1.34 0.09 2.29 2.03 -0.90 -4.77 116.55 121.21 3iex n ASP 169 Ca 0.18 1.13 0.03 0.00 0.52 0.00 0.00 54.79 56.65 3iex n ASP 169 Cb 0.47 -0.92 0.40 0.00 -0.72 0.00 0.00 41.12 40.35 3iex n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3iex h ARG 170 N 5.63 0.33 -0.38 -0.67 0.11 -1.92 -0.16 114.38 117.33 3iex h ARG 170 Ca -0.42 -0.06 -0.14 0.00 0.10 0.00 0.00 59.98 59.47 3iex h ARG 170 Cb 1.37 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 3iex h ARG 170 CO 0.99 0.37 -0.30 -0.44 0.10 0.00 0.00 179.97 180.69 3iex h ASP 171 N 0.32 0.91 -0.60 0.08 3.32 -1.99 0.79 116.42 119.25 3iex h ASP 171 Ca 0.07 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.59 3iex h ASP 171 Cb 0.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3iex h ASP 171 CO 0.01 1.17 0.04 -0.07 -1.72 0.00 0.00 179.24 178.66 3iex h LEU 172 N 0.67 1.01 -0.35 1.55 3.38 -1.76 0.60 115.31 120.42 3iex h LEU 172 Ca 0.07 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3iex h LEU 172 Cb 0.88 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3iex h LEU 172 CO 0.08 1.05 0.22 0.03 0.09 0.00 0.00 178.44 179.91 3iex h ARG 173 N 0.94 0.44 -0.40 1.13 3.08 -0.85 0.15 114.38 118.87 3iex h ARG 173 Ca 0.18 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iex h ARG 173 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3iex h ARG 173 CO 0.02 0.29 0.25 -0.22 -1.07 0.00 0.00 179.97 179.24 3iex h LYS 174 N 0.46 0.54 -0.24 0.04 3.64 -0.49 -0.47 116.57 120.04 3iex h LYS 174 Ca 0.13 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3iex h LYS 174 Cb -0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3iex h LYS 174 CO -0.04 0.39 0.11 1.25 -2.27 0.00 0.00 179.45 178.89 3iex h LEU 175 N 0.53 0.16 -0.83 5.20 5.85 -0.60 -0.07 115.31 125.54 3iex h LEU 175 Ca 0.14 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3iex h LEU 175 Cb -0.01 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3iex h LEU 175 CO -0.03 0.12 0.54 0.00 -0.34 0.00 0.00 178.44 178.73 3iex h ALA 176 N 1.13 1.07 -0.32 1.25 0.00 -0.35 0.16 119.26 122.20 3iex h ALA 176 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3iex h ALA 176 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iex h ALA 176 CO -0.08 0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.83 3iex h VAL 177 N 1.07 1.27 -0.50 0.00 2.07 -0.83 -0.85 116.25 118.48 3iex h VAL 177 Ca 0.32 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3iex h VAL 177 Cb -0.05 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3iex h VAL 177 CO -0.10 0.33 0.32 1.56 0.02 0.00 0.00 177.57 179.70 3iex h GLN 178 N 0.36 0.66 -0.38 1.57 1.08 -0.43 0.34 115.11 118.32 3iex h GLN 178 Ca 0.09 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3iex h GLN 178 Cb 0.48 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3iex h GLN 178 CO 0.02 0.45 0.22 0.28 -0.95 0.00 0.00 178.83 178.85 3iex h VAL 179 N 0.67 1.14 -0.44 -0.54 2.07 -0.59 0.27 116.25 118.82 3iex h VAL 179 Ca 0.18 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3iex h VAL 179 Cb -0.06 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3iex h VAL 179 CO -0.04 0.14 0.20 0.00 0.02 0.00 0.00 177.57 177.89 3iex h ALA 180 N 1.08 0.55 0.19 1.67 0.00 -0.82 -1.88 119.26 120.04 3iex h ALA 180 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iex h ALA 180 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iex h ALA 180 CO -0.02 -0.16 -0.09 0.93 0.00 0.00 0.00 179.25 179.90 3iex h GLU 181 N 0.41 -0.25 -0.49 0.00 4.39 0.27 -1.79 114.58 117.12 3iex h GLU 181 Ca 0.19 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.98 3iex h GLU 181 Cb 0.13 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3iex h GLU 181 CO -0.16 -0.16 0.33 0.93 -1.16 0.00 0.00 179.01 178.79 3iex h GLU 182 N -0.26 0.37 -0.70 2.33 5.08 -0.33 -1.90 114.58 119.17 3iex h GLU 182 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iex h GLU 182 Cb 0.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iex h GLU 182 CO 0.04 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 178.38 3iex n ASN 183 N -4.47 3.88 0.00 1.42 4.13 -0.72 -4.95 115.26 114.54 3iex n ASN 183 Ca 0.07 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.33 3iex n ASN 183 Cb 0.28 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 3iex n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iex n GLY 184 N 1.65 0.44 0.69 7.41 0.00 -0.71 -4.89 105.19 109.78 3iex n GLY 184 Ca 0.24 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.54 3iex n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3iex n PHE 185 N -2.96 0.00 -0.03 1.61 -1.74 -0.73 -4.76 117.46 108.85 3iex n PHE 185 Ca 0.00 -1.23 0.11 0.00 -0.56 0.00 0.00 57.45 55.76 3iex n PHE 185 Cb 0.00 -0.22 0.52 0.00 1.52 0.00 0.00 39.48 41.30 3iex n PHE 185 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 3iex h GLY 186 N 0.86 0.47 2.00 4.97 0.00 -1.65 -1.61 103.07 108.11 3iex h GLY 186 Ca -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3iex h GLY 186 CO 0.02 0.10 -0.05 3.45 0.00 0.00 0.00 176.54 180.06 3iex h ASN 187 N 0.36 0.00 1.30 0.19 -1.07 -1.89 0.18 115.58 114.66 3iex h ASN 187 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 3iex h ASN 187 Cb 0.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.68 3iex h ASN 187 CO -0.06 0.05 0.00 0.18 0.07 0.00 0.00 177.43 177.68 3iex n LEU 188 N -3.90 0.63 -4.62 6.14 4.77 -0.61 -4.84 117.00 114.57 3iex n LEU 188 Ca -0.03 0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 56.15 3iex n LEU 188 Cb 0.14 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 3iex n LEU 188 CO 0.30 -0.18 -0.14 -0.69 -1.33 0.00 0.00 177.39 175.35 3iex s VAL 189 N -3.10 5.31 0.36 4.08 1.01 0.05 -0.24 120.40 127.88 3iex s VAL 189 Ca 0.11 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.38 3iex s VAL 189 Cb 0.13 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 3iex s VAL 189 CO 0.56 0.28 0.02 -1.00 0.00 0.00 0.00 175.10 174.96 3iex s HIS 190 N 1.50 2.23 0.03 5.22 3.76 0.15 -4.98 115.29 123.20 3iex s HIS 190 Ca 0.08 -0.79 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 3iex s HIS 190 Cb -0.15 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 3iex s HIS 190 CO 0.08 0.25 -0.16 -0.65 -0.85 0.00 0.00 174.74 173.41 3iex s GLN 191 N -3.79 1.08 0.10 1.40 -0.21 -1.26 -0.35 119.66 116.63 3iex s GLN 191 Ca 0.35 -0.75 -0.17 0.00 0.02 0.00 0.00 55.36 54.82 3iex s GLN 191 Cb 0.09 -1.11 0.06 0.00 1.00 0.00 0.00 33.01 33.05 3iex s GLN 191 CO 0.16 0.28 0.80 0.41 -2.12 0.00 0.00 175.29 174.83 3iex n GLY 192 N 2.07 0.68 3.70 3.09 0.00 -0.27 -4.91 105.19 109.56 3iex n GLY 192 Ca -0.17 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3iex n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iex s VAL 193 N -2.16 5.31 -0.19 1.61 1.01 -1.26 -1.49 120.40 123.23 3iex s VAL 193 Ca 0.18 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 3iex s VAL 193 Cb -0.02 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3iex s VAL 193 CO 0.03 0.36 0.11 -0.47 0.00 0.00 0.00 175.10 175.13 3iex s TYR 194 N 0.74 3.36 -0.11 5.22 6.14 -0.50 -0.34 117.35 131.85 3iex s TYR 194 Ca 0.14 0.24 0.00 0.00 0.64 0.00 0.00 57.07 58.10 3iex s TYR 194 Cb -0.13 -2.12 -0.02 0.00 0.42 0.00 0.00 41.96 40.11 3iex s TYR 194 CO 0.04 0.26 -0.12 0.54 0.64 0.00 0.00 175.55 176.91 3iex s VAL 195 N 0.31 3.22 -0.18 3.14 0.11 -0.38 -0.20 120.40 126.42 3iex s VAL 195 Ca 0.06 -0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 58.29 3iex s VAL 195 Cb -0.11 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 3iex s VAL 195 CO -0.01 0.54 0.60 -0.32 -3.33 0.00 0.00 175.10 172.58 3iex s MET 196 N -0.03 4.24 -0.29 1.54 1.75 -0.41 -1.88 119.30 124.22 3iex s MET 196 Ca -0.02 0.58 -0.12 0.00 -1.25 0.00 0.00 55.69 54.88 3iex s MET 196 Cb -0.14 -3.55 -0.04 0.00 2.84 0.00 0.00 34.83 33.94 3iex s MET 196 CO 0.04 -0.16 0.22 1.21 -0.65 0.00 0.00 175.02 175.68 3iex s ASN 197 N 1.10 6.05 0.43 1.11 2.47 0.12 -3.72 114.94 122.50 3iex s ASN 197 Ca 0.28 -0.08 0.24 0.00 0.42 0.00 0.00 52.86 53.71 3iex s ASN 197 Cb -0.16 -2.13 1.24 0.00 -1.45 0.00 0.00 41.25 38.75 3iex s ASN 197 CO 0.11 -0.11 1.74 1.23 -3.72 0.00 0.00 177.10 176.35 3iex h GLY 198 N 8.42 1.07 0.00 1.21 0.00 -1.88 -3.32 103.07 108.58 3iex h GLY 198 Ca -0.34 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3iex h GLY 198 CO 0.58 -0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.55 3iex n GLY 199 N -1.52 -1.70 0.86 4.60 0.00 -1.26 -4.08 105.19 102.08 3iex n GLY 199 Ca 0.28 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 45.09 3iex n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iex n PRO 200 N -0.27 2.12 -2.04 1.61 -0.04 -1.26 -4.86 135.00 130.25 3iex n PRO 200 Ca 0.00 -1.69 -0.41 0.00 -0.04 0.00 0.00 63.50 61.36 3iex n PRO 200 Cb 0.00 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3iex n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iex s TYR 202 N -0.65 1.98 0.33 0.00 1.51 -1.26 -4.95 117.35 114.30 3iex s TYR 202 Ca 0.54 1.67 -0.29 0.00 -1.01 0.00 0.00 57.07 57.98 3iex s TYR 202 Cb -0.41 -3.35 -0.10 0.00 -0.11 0.00 0.00 41.96 37.99 3iex s TYR 202 CO 0.50 -2.54 1.32 -1.21 -1.11 0.00 0.00 175.55 172.51 3iex s GLU 203 N -4.35 4.34 0.86 -0.62 8.01 -1.26 -5.03 118.70 120.66 3iex s GLU 203 Ca 0.69 2.24 -0.11 0.00 0.01 0.00 0.00 54.97 57.80 3iex s GLU 203 Cb -0.25 -3.07 0.11 0.00 -4.31 0.00 0.00 34.13 26.62 3iex s GLU 203 CO 0.52 -0.21 1.10 0.95 0.01 0.00 0.00 175.26 177.62 3iex s THR 204 N -1.10 2.81 0.24 3.63 -4.23 -1.26 -4.80 115.64 110.94 3iex s THR 204 Ca 0.49 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 61.21 3iex s THR 204 Cb -0.40 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 70.97 3iex s THR 204 CO 0.53 -0.35 1.83 -0.65 -0.54 0.00 0.00 174.62 175.45 3iex h PRO 205 N -1.48 0.84 -0.84 3.99 0.11 -1.86 0.16 132.00 132.92 3iex h PRO 205 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iex h PRO 205 Cb 1.26 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3iex h PRO 205 CO 0.52 0.56 0.53 0.00 -0.21 0.00 0.00 178.00 179.39 3iex h ALA 206 N 1.41 1.06 -0.49 -0.75 0.00 -1.86 0.20 119.26 118.83 3iex h ALA 206 Ca 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3iex h ALA 206 Cb 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iex h ALA 206 CO -0.20 0.49 0.10 0.93 0.00 0.00 0.00 179.25 180.57 3iex h GLU 207 N 1.14 0.80 -0.55 0.00 5.08 -1.76 0.20 114.58 119.49 3iex h GLU 207 Ca 0.30 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3iex h GLU 207 Cb -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3iex h GLU 207 CO -0.06 0.79 0.27 0.00 -1.00 0.00 0.00 179.01 179.00 3iex h THR 209 N 0.75 1.13 -0.14 0.00 2.02 -0.45 0.18 112.91 116.40 3iex h THR 209 Ca 0.19 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3iex h THR 209 Cb 0.12 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3iex h THR 209 CO -0.02 0.13 0.01 -0.03 0.37 0.00 0.00 175.52 175.98 3iex h MET 210 N 0.43 0.06 -0.70 6.66 -1.53 -0.60 -0.02 114.93 119.24 3iex h MET 210 Ca 0.12 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.35 3iex h MET 210 Cb 0.05 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 3iex h MET 210 CO -0.02 0.04 0.31 -0.07 0.14 0.00 0.00 176.91 177.31 3iex h LEU 211 N 0.06 0.94 -0.69 3.39 3.38 -0.24 -0.49 115.31 121.66 3iex h LEU 211 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3iex h LEU 211 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3iex h LEU 211 CO -0.10 0.82 0.33 0.25 0.09 0.00 0.00 178.44 179.83 3iex h LEU 212 N 0.98 0.90 -1.71 1.67 5.85 -0.44 -1.51 115.31 121.06 3iex h LEU 212 Ca 0.24 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3iex h LEU 212 Cb 0.16 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3iex h LEU 212 CO -0.03 0.78 0.00 0.78 -0.34 0.00 0.00 178.44 179.64 3iex h ASN 213 N 0.96 0.00 0.40 1.25 2.35 -0.34 -1.50 115.58 118.69 3iex h ASN 213 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3iex h ASN 213 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3iex h ASN 213 CO -0.03 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 175.98 3iex n MET 214 N -3.05 0.56 -0.65 0.81 2.81 -0.25 -4.86 117.12 112.47 3iex n MET 214 Ca -0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3iex n MET 214 Cb 0.26 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3iex n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iex n GLY 215 N 1.10 0.97 3.78 3.03 0.00 -0.57 -5.07 105.19 108.43 3iex n GLY 215 Ca 0.16 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3iex n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iex n ASP 217 N 2.57 2.00 -4.17 0.00 8.00 0.54 -4.05 116.55 121.44 3iex n ASP 217 Ca -0.09 -0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 3iex n ASP 217 Cb 0.51 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 3iex n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3iex s VAL 218 N -2.52 0.93 -0.03 2.53 -7.23 -0.76 0.19 120.40 113.51 3iex s VAL 218 Ca -0.33 -1.62 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 3iex s VAL 218 Cb 0.09 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.70 3iex s VAL 218 CO 0.62 -0.55 -0.10 0.54 -0.31 0.00 0.00 175.10 175.30 3iex s VAL 219 N -2.39 0.89 0.21 1.32 0.11 -0.37 -1.25 120.40 118.92 3iex s VAL 219 Ca 0.05 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 3iex s VAL 219 Cb -0.03 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3iex s VAL 219 CO 0.00 0.28 0.23 0.61 -3.33 0.00 0.00 175.10 172.89 3iex n GLY 220 N 3.41 2.93 0.21 6.54 0.00 -0.79 -0.70 105.19 116.78 3iex n GLY 220 Ca -0.20 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.22 3iex n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iex n MET 221 N -0.36 2.31 -1.55 1.61 2.81 -1.25 0.13 117.12 120.81 3iex n MET 221 Ca 0.02 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.77 3iex n MET 221 Cb 0.36 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3iex n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3iex n SER 222 N -0.76 0.05 0.00 7.83 3.41 -1.26 -4.57 113.62 118.32 3iex n SER 222 Ca 0.10 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3iex n SER 222 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3iex n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iex n THR 223 N 0.00 0.00 -0.26 6.66 -1.04 -1.26 -4.56 114.28 113.83 3iex n THR 223 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 3iex n THR 223 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 3iex n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3iex h ILE 224 N 0.00 0.51 -0.90 12.58 1.08 -1.98 0.20 117.51 129.01 3iex h ILE 224 Ca 0.00 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3iex h ILE 224 Cb 0.00 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 3iex h ILE 224 CO 0.00 0.05 0.53 -0.65 -0.69 0.00 0.00 178.15 177.39 3iex h PRO 225 N 0.30 1.23 -0.46 2.37 0.11 -1.98 0.48 132.00 134.03 3iex h PRO 225 Ca 0.44 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 3iex h PRO 225 Cb 0.76 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3iex h PRO 225 CO -0.51 0.87 0.17 0.93 -0.21 0.00 0.00 178.00 179.25 3iex h GLU 226 N 1.24 0.70 -0.89 1.05 5.08 -1.28 -0.61 114.58 119.87 3iex h GLU 226 Ca 0.32 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3iex h GLU 226 Cb -0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3iex h GLU 226 CO -0.06 0.64 0.51 0.28 -1.00 0.00 0.00 179.01 179.38 3iex h VAL 227 N 0.61 1.25 0.04 3.13 2.07 0.11 0.38 116.25 123.83 3iex h VAL 227 Ca 0.15 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3iex h VAL 227 Cb 0.21 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3iex h VAL 227 CO -0.01 0.28 -0.02 0.58 0.02 0.00 0.00 177.57 178.42 3iex h VAL 228 N 1.24 1.17 -0.54 2.57 2.07 0.33 0.17 116.25 123.25 3iex h VAL 228 Ca 0.32 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3iex h VAL 228 Cb -0.00 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3iex h VAL 228 CO -0.05 0.17 0.25 0.40 0.02 0.00 0.00 177.57 178.35 3iex h ILE 229 N -0.34 0.89 0.21 4.57 1.08 -0.82 0.23 117.51 123.33 3iex h ILE 229 Ca -0.01 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3iex h ILE 229 Cb 0.31 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3iex h ILE 229 CO 0.01 0.08 -0.31 0.00 -0.69 0.00 0.00 178.15 177.24 3iex h ALA 230 N 1.33 -0.59 -0.76 1.87 0.00 0.05 -2.17 119.26 118.99 3iex h ALA 230 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iex h ALA 230 Cb 0.22 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3iex h ALA 230 CO -0.21 -0.88 0.41 0.00 0.00 0.00 0.00 179.25 178.57 3iex h ARG 231 N -0.59 1.06 -0.84 0.00 2.47 -0.26 -0.45 114.38 115.78 3iex h ARG 231 Ca 0.01 -0.13 0.16 0.00 -1.26 0.00 0.00 59.98 58.75 3iex h ARG 231 Cb 0.57 -0.21 -0.10 0.00 -1.65 0.00 0.00 29.97 28.59 3iex h ARG 231 CO -0.13 0.80 0.41 1.25 0.56 0.00 0.00 179.97 182.86 3iex h HIS 232 N 1.05 0.72 -0.58 3.04 2.76 -0.31 0.10 115.15 121.92 3iex h HIS 232 Ca 0.27 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 3iex h HIS 232 Cb 0.05 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3iex h HIS 232 CO 0.00 0.14 0.00 0.00 -1.30 0.00 0.00 177.93 176.77 3iex n GLY 234 N 1.07 0.51 3.71 0.00 0.00 0.02 -4.98 105.19 105.53 3iex n GLY 234 Ca 0.23 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 3iex n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iex s ILE 235 N -2.04 4.90 0.33 -0.61 1.01 -0.27 -4.99 121.20 119.54 3iex s ILE 235 Ca 0.00 1.84 -0.27 0.00 0.00 0.00 0.00 60.65 62.22 3iex s ILE 235 Cb 0.00 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3iex s ILE 235 CO 0.00 0.21 1.11 -1.10 0.00 0.00 0.00 174.94 175.16 3iex s GLN 236 N 0.85 4.40 -0.09 2.79 -0.21 -0.27 -3.96 119.66 123.17 3iex s GLN 236 Ca 0.47 1.77 0.04 0.00 0.02 0.00 0.00 55.36 57.66 3iex s GLN 236 Cb -0.20 -2.93 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 3iex s GLN 236 CO 0.25 0.00 -0.23 0.08 -2.12 0.00 0.00 175.29 173.27 3iex s VAL 237 N -1.33 2.17 -0.10 1.09 1.01 -1.26 0.12 120.40 122.11 3iex s VAL 237 Ca 0.50 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3iex s VAL 237 Cb -0.30 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 3iex s VAL 237 CO 0.38 0.56 -0.22 0.12 0.00 0.00 0.00 175.10 175.94 3iex s PHE 238 N 0.21 2.59 -0.01 5.22 2.19 0.95 -2.11 117.98 127.02 3iex s PHE 238 Ca -0.14 -0.94 0.01 0.00 0.33 0.00 0.00 56.93 56.18 3iex s PHE 238 Cb -0.17 -1.72 0.01 0.00 -1.31 0.00 0.00 43.02 39.83 3iex s PHE 238 CO 0.07 -0.36 -0.01 0.00 1.83 0.00 0.00 175.22 176.76 3iex s ALA 239 N 0.28 0.22 -0.05 11.12 0.00 -1.26 -0.66 121.76 131.41 3iex s ALA 239 Ca -0.16 0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3iex s ALA 239 Cb -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3iex s ALA 239 CO 0.08 -0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.77 3iex s VAL 240 N 0.47 1.15 -0.16 0.00 1.01 -0.21 0.01 120.40 122.66 3iex s VAL 240 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3iex s VAL 240 Cb -0.07 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3iex s VAL 240 CO -0.01 0.35 0.32 -0.44 0.00 0.00 0.00 175.10 175.31 3iex s SER 241 N 0.31 6.45 -0.17 3.32 0.01 0.18 -1.12 113.70 122.67 3iex s SER 241 Ca -0.08 0.52 -0.23 0.00 1.31 0.00 0.00 55.95 57.48 3iex s SER 241 Cb -0.12 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 3iex s SER 241 CO 0.02 0.07 0.71 -0.22 0.41 0.00 0.00 173.24 174.22 3iex s LEU 242 N 0.60 4.18 -0.72 2.44 0.20 0.77 0.16 118.68 126.31 3iex s LEU 242 Ca 0.17 1.00 -0.26 0.00 0.69 0.00 0.00 54.13 55.73 3iex s LEU 242 Cb -0.13 -3.03 -0.00 0.00 -0.43 0.00 0.00 46.19 42.59 3iex s LEU 242 CO 0.05 -0.29 1.67 -0.69 -0.29 0.00 0.00 176.35 176.80 3iex s VAL 243 N 1.82 3.52 -1.17 1.68 1.01 0.01 -0.79 120.40 126.48 3iex s VAL 243 Ca 0.33 0.11 0.23 0.00 0.00 0.00 0.00 61.98 62.66 3iex s VAL 243 Cb -0.16 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 3iex s VAL 243 CO 0.12 -1.27 1.20 0.35 0.00 0.00 0.00 175.10 175.49 3iex n THR 244 N 7.03 0.00 -3.47 3.92 -2.24 -0.03 -0.41 114.28 119.07 3iex n THR 244 Ca 0.19 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 3iex n THR 244 Cb 0.50 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3iex n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iex s ASN 245 N -2.90 -0.56 -0.30 3.42 4.22 -1.22 -4.26 114.94 113.34 3iex s ASN 245 Ca 0.12 0.26 -0.20 0.00 -2.14 0.00 0.00 52.86 50.90 3iex s ASN 245 Cb 0.17 0.53 -0.01 0.00 1.28 0.00 0.00 41.25 43.22 3iex s ASN 245 CO 0.74 -0.76 0.60 -0.63 -2.04 0.00 0.00 177.10 175.00 3iex s ILE 246 N -2.66 4.97 0.20 0.54 -1.09 -1.26 0.49 121.20 122.39 3iex s ILE 246 Ca -0.02 0.84 -0.33 0.00 -2.23 0.00 0.00 60.65 58.91 3iex s ILE 246 Cb -0.01 -3.96 -0.14 0.00 -1.58 0.00 0.00 42.46 36.77 3iex s ILE 246 CO -0.04 -0.09 1.41 -1.20 -1.23 0.00 0.00 174.94 173.78 3iex n SER 247 N 5.79 2.54 -4.65 3.58 7.64 0.01 -4.83 113.62 123.70 3iex n SER 247 Ca -0.02 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.58 3iex n SER 247 Cb 0.49 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.26 3iex n SER 247 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3iex s VAL 248 N 0.20 4.91 -1.06 0.44 1.01 -1.26 -4.91 120.40 119.74 3iex s VAL 248 Ca 0.73 1.45 0.17 0.00 0.00 0.00 0.00 61.98 64.32 3iex s VAL 248 Cb -0.71 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 31.48 3iex s VAL 248 CO 0.47 0.02 0.78 0.18 0.00 0.00 0.00 175.10 176.55 3iex n LEU 249 N 5.46 1.09 -4.26 3.92 4.77 -1.26 -3.72 117.00 123.00 3iex n LEU 249 Ca 0.03 -0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 55.07 3iex n LEU 249 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 3iex n LEU 249 CO 0.46 0.24 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.75 3iex s ASP 250 N -2.42 4.29 0.57 -1.43 2.15 -1.26 -4.55 116.67 114.02 3iex s ASP 250 Ca 0.09 -0.60 0.30 0.00 0.43 0.00 0.00 52.55 52.78 3iex s ASP 250 Cb 0.13 -1.71 1.70 0.00 -0.30 0.00 0.00 42.92 42.74 3iex s ASP 250 CO 0.61 -0.07 2.18 -0.37 -0.17 0.00 0.00 175.17 177.35 3iex h VAL 251 N 5.88 0.48 0.00 1.11 -1.51 -1.93 -2.13 116.25 118.14 3iex h VAL 251 Ca -0.38 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.77 3iex h VAL 251 Cb 1.14 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 3iex h VAL 251 CO 0.60 0.05 -0.27 -0.33 -1.23 0.00 0.00 177.57 176.39 3iex h GLU 252 N 0.00 0.00 -6.98 5.19 4.39 -2.01 -3.45 114.58 111.72 3iex h GLU 252 Ca -0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 3iex h GLU 252 Cb 0.17 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.94 3iex h GLU 252 CO 0.01 0.27 0.71 0.45 -1.16 0.00 0.00 179.01 179.28 3iex s SER 253 N -6.26 5.94 0.05 1.42 0.15 -0.80 -4.92 113.70 109.27 3iex s SER 253 Ca 0.01 2.92 0.24 0.00 0.70 0.00 0.00 55.95 59.82 3iex s SER 253 Cb 0.10 -2.65 0.23 0.00 -1.71 0.00 0.00 66.02 61.98 3iex s SER 253 CO 0.65 -1.13 1.19 -0.90 1.20 0.00 0.00 173.24 174.25 3iex n ASP 254 N -0.12 0.63 -4.77 5.45 5.75 -1.26 -4.90 116.55 117.33 3iex n ASP 254 Ca 0.05 -0.20 -0.41 0.00 -0.01 0.00 0.00 54.79 54.22 3iex n ASP 254 Cb 0.42 0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 40.99 3iex n ASP 254 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 3iex s LEU 255 N -3.68 4.44 -0.03 -2.12 -0.00 -1.26 -5.03 118.68 110.99 3iex s LEU 255 Ca 0.07 2.63 -0.04 0.00 -0.00 0.00 0.00 54.13 56.79 3iex s LEU 255 Cb 0.15 -3.64 0.01 0.00 -0.00 0.00 0.00 46.19 42.71 3iex s LEU 255 CO 0.76 -0.50 0.10 -1.59 -0.00 0.00 0.00 176.35 175.11 3iex s LYS 256 N -1.60 0.15 0.29 1.48 -2.85 -1.26 -4.95 119.74 111.00 3iex s LYS 256 Ca 0.49 0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 55.24 3iex s LYS 256 Cb -0.39 0.07 -0.11 0.00 -2.06 0.00 0.00 37.83 35.34 3iex s LYS 256 CO 0.51 -0.02 1.50 -2.14 0.10 0.00 0.00 175.35 175.29 3iex s PRO 257 N -0.11 4.19 -0.07 1.78 0.02 -1.26 -5.01 135.00 134.53 3iex s PRO 257 Ca -0.02 2.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 3iex s PRO 257 Cb -0.02 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.47 3iex s PRO 257 CO 0.00 -0.50 0.19 0.54 -0.33 0.00 0.00 177.00 176.89 3iex s ASN 258 N 0.29 -0.19 0.50 2.53 4.22 -1.26 -5.01 114.94 116.02 3iex s ASN 258 Ca 0.59 0.38 0.19 0.00 -2.14 0.00 0.00 52.86 51.88 3iex s ASN 258 Cb -0.45 0.37 1.25 0.00 1.28 0.00 0.00 41.25 43.71 3iex s ASN 258 CO 0.48 -0.07 2.08 -0.74 -2.04 0.00 0.00 177.10 176.81 3iex h HIS 259 N 5.96 0.00 -0.12 1.54 -0.00 -1.99 -2.55 115.15 117.99 3iex h HIS 259 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3iex h HIS 259 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 3iex h HIS 259 CO 0.40 0.10 0.08 1.49 -0.00 0.00 0.00 177.93 180.01 3iex h GLU 260 N 0.00 0.16 -0.27 5.26 4.57 -1.99 0.27 114.58 122.58 3iex h GLU 260 Ca -0.00 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3iex h GLU 260 Cb 0.20 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3iex h GLU 260 CO 0.01 0.11 -0.13 0.93 -1.18 0.00 0.00 179.01 178.75 3iex h GLU 261 N 0.16 0.46 -0.05 1.92 5.08 -1.84 0.11 114.58 120.42 3iex h GLU 261 Ca 0.04 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3iex h GLU 261 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3iex h GLU 261 CO -0.01 0.60 -0.02 0.28 -1.00 0.00 0.00 179.01 178.86 3iex h VAL 262 N 0.43 0.94 -0.93 3.13 2.07 -1.08 0.55 116.25 121.35 3iex h VAL 262 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3iex h VAL 262 Cb 0.49 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3iex h VAL 262 CO 0.03 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.15 3iex h LEU 263 N -0.01 1.09 -0.72 2.57 3.38 0.07 -1.37 115.31 120.31 3iex h LEU 263 Ca 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3iex h LEU 263 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3iex h LEU 263 CO -0.06 0.80 0.14 0.00 0.09 0.00 0.00 178.44 179.41 3iex h ALA 264 N 1.39 0.95 -0.37 1.53 0.00 -0.31 0.20 119.26 122.66 3iex h ALA 264 Ca 0.34 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3iex h ALA 264 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3iex h ALA 264 CO -0.07 0.67 -0.28 1.15 0.00 0.00 0.00 179.25 180.72 3iex h THR 265 N 1.05 1.28 -0.22 0.00 2.02 -0.62 -1.02 112.91 115.40 3iex h THR 265 Ca 0.21 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 66.00 3iex h THR 265 Cb 0.41 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3iex h THR 265 CO 0.01 0.48 -0.03 1.23 0.37 0.00 0.00 175.52 177.58 3iex h GLY 266 N 0.63 0.19 0.90 2.16 0.00 -0.93 -0.38 103.07 105.63 3iex h GLY 266 Ca 0.07 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.49 3iex h GLY 266 CO 0.07 -0.06 0.63 0.00 0.00 0.00 0.00 176.54 177.18 3iex h ALA 267 N 1.21 1.39 -0.01 3.60 0.00 -0.44 0.80 119.26 125.81 3iex h ALA 267 Ca 0.11 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3iex h ALA 267 Cb 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iex h ALA 267 CO -0.20 0.51 -0.77 0.37 0.00 0.00 0.00 179.25 179.16 3iex h GLN 268 N 1.20 0.08 -0.04 0.00 4.15 -0.76 -3.14 115.11 116.60 3iex h GLN 268 Ca 0.39 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.74 3iex h GLN 268 Cb 0.04 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3iex h GLN 268 CO -0.13 0.81 0.00 0.54 -1.93 0.00 0.00 178.83 178.12 3iex n ARG 269 N -3.67 2.30 -0.23 1.69 5.12 -0.19 -4.48 116.66 117.19 3iex n ARG 269 Ca -0.02 -1.88 -0.08 0.00 -1.93 0.00 0.00 57.85 53.94 3iex n ARG 269 Cb 0.74 -1.46 0.04 0.00 -1.16 0.00 0.00 32.46 30.61 3iex n ARG 269 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iex h ALA 270 N 4.68 0.88 -0.24 7.54 0.00 -0.79 -0.30 119.26 131.02 3iex h ALA 270 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3iex h ALA 270 Cb 0.97 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3iex h ALA 270 CO 0.00 0.65 0.12 1.49 0.00 0.00 0.00 179.25 181.51 3iex h GLU 271 N 1.02 0.35 -0.47 0.00 4.81 -1.78 0.16 114.58 118.66 3iex h GLU 271 Ca 0.20 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3iex h GLU 271 Cb 0.45 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3iex h GLU 271 CO 0.01 0.35 -0.08 1.25 -0.73 0.00 0.00 179.01 179.82 3iex h LEU 272 N 0.26 0.88 -0.60 1.64 5.85 -1.80 -1.10 115.31 120.44 3iex h LEU 272 Ca 0.08 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3iex h LEU 272 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3iex h LEU 272 CO -0.01 1.02 0.04 -0.03 -0.34 0.00 0.00 178.44 179.11 3iex h MET 273 N 0.73 1.03 0.23 1.25 4.05 -0.84 0.10 114.93 121.48 3iex h MET 273 Ca 0.12 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 3iex h MET 273 Cb 0.61 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3iex h MET 273 CO 0.04 1.00 -0.24 0.37 0.23 0.00 0.00 176.91 178.31 3iex h GLN 274 N 0.93 -0.49 -0.68 0.39 4.15 -0.50 1.00 115.11 119.91 3iex h GLN 274 Ca 0.17 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.73 3iex h GLN 274 Cb 0.51 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.23 3iex h GLN 274 CO 0.02 -0.32 0.29 1.03 -1.93 0.00 0.00 178.83 177.92 3iex h SER 275 N -0.50 0.32 0.04 -0.69 0.87 -0.89 0.19 113.55 112.89 3iex h SER 275 Ca -0.00 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3iex h SER 275 Cb 0.47 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3iex h SER 275 CO -0.06 0.17 -0.02 -0.25 -0.53 0.00 0.00 176.83 176.14 3iex h TRP 276 N 0.49 -0.05 -0.20 2.24 7.01 -0.41 -0.65 115.95 124.38 3iex h TRP 276 Ca 0.35 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.35 3iex h TRP 276 Cb 0.44 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 3iex h TRP 276 CO -0.15 0.04 0.12 0.74 -2.79 0.00 0.00 178.44 176.41 3iex h PHE 277 N -0.13 0.26 -0.77 2.65 -1.00 -0.20 0.16 116.94 117.92 3iex h PHE 277 Ca -0.01 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.87 3iex h PHE 277 Cb 0.11 -0.09 -0.07 0.00 3.61 0.00 0.00 35.95 39.51 3iex h PHE 277 CO -0.05 0.20 0.41 0.93 -1.61 0.00 0.00 178.31 178.19 3iex h GLU 278 N 0.25 0.66 0.00 1.51 5.08 -0.52 0.14 114.58 121.71 3iex h GLU 278 Ca 0.07 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 3iex h GLU 278 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3iex h GLU 278 CO -0.01 0.44 -0.86 0.87 -1.00 0.00 0.00 179.01 178.44 3iex h LYS 279 N 0.68 0.09 -0.05 2.33 1.57 -0.72 -1.89 116.57 118.57 3iex h LYS 279 Ca 0.38 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3iex h LYS 279 Cb 0.39 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3iex h LYS 279 CO -0.27 0.89 0.02 0.82 -0.57 0.00 0.00 179.45 180.34 3iex h ILE 280 N 0.05 1.18 -0.88 1.86 2.04 -0.11 -3.10 117.51 118.55 3iex h ILE 280 Ca -0.03 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.40 3iex h ILE 280 Cb 1.50 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.94 3iex h ILE 280 CO 0.12 0.15 0.53 0.40 0.00 0.00 0.00 178.15 179.35 3iex h ILE 281 N -0.12 0.92 0.00 -0.67 2.04 -0.61 0.08 117.51 119.16 3iex h ILE 281 Ca 0.02 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3iex h ILE 281 Cb 0.22 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3iex h ILE 281 CO -0.00 0.16 -0.12 1.05 0.00 0.00 0.00 178.15 179.24 3iex h GLU 282 N 0.87 0.00 -0.03 2.37 4.11 -1.31 -2.46 114.58 118.13 3iex h GLU 282 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 3iex h GLU 282 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3iex h GLU 282 CO -0.25 0.12 -0.09 1.63 0.07 0.00 0.00 179.01 180.49 3iex n LYS 283 N -3.49 1.97 -1.69 1.06 5.02 -0.08 -4.96 118.16 115.99 3iex n LYS 283 Ca -0.01 -1.67 -0.41 0.00 -2.02 0.00 0.00 58.31 54.20 3iex n LYS 283 Cb 0.27 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 3iex n LYS 283 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iex n LEU 284 N 1.00 3.75 -4.71 -0.35 4.77 -0.62 -4.93 117.00 115.92 3iex n LEU 284 Ca 0.12 1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 3iex n LEU 284 Cb 0.54 -1.48 0.14 0.00 -2.33 0.00 0.00 43.42 40.29 3iex n LEU 284 CO 0.17 -0.74 0.67 -2.84 -1.33 0.00 0.00 177.39 173.32 3iex s PRO 285 N -2.13 1.39 6.25 3.23 0.02 -1.26 -4.77 135.00 137.74 3iex s PRO 285 Ca 0.60 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3iex s PRO 285 Cb -0.53 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3iex s PRO 285 CO 0.58 -2.22 0.00 0.36 -0.33 0.00 0.00 177.00 175.40 3iex n LYS 286 N -3.90 0.00 0.00 5.54 -0.00 -1.26 -5.19 118.16 113.35 3iex n LYS 286 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3iex n LYS 286 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 3iex n LYS 286 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15