#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipa s ARG 2 N 0.00 2.56 -0.35 2.12 3.52 -1.26 -3.21 118.95 122.33 1ipa s ARG 2 Ca 0.00 -1.19 -0.13 0.00 -0.13 0.00 0.00 55.73 54.28 1ipa s ARG 2 Cb 0.00 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1ipa s ARG 2 CO 0.00 -0.58 0.26 0.42 -0.81 0.00 0.00 175.30 174.59 1ipa s ILE 3 N 1.30 5.27 -0.19 4.11 1.01 -0.17 -4.91 121.20 127.63 1ipa s ILE 3 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.44 1ipa s ILE 3 Cb -0.19 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 1ipa s ILE 3 CO -0.01 -0.05 0.21 0.35 0.00 0.00 0.00 174.94 175.44 1ipa n THR 4 N 5.13 0.00 -3.45 2.92 -2.24 -1.26 -1.74 114.28 113.63 1ipa n THR 4 Ca -0.12 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 1ipa n THR 4 Cb 0.49 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 1ipa n THR 4 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ipa s SER 5 N -1.88 6.52 0.17 3.42 0.15 -1.26 -4.57 113.70 116.25 1ipa s SER 5 Ca 0.01 0.61 0.22 0.00 0.70 0.00 0.00 55.95 57.49 1ipa s SER 5 Cb 0.04 -2.22 0.89 0.00 -1.71 0.00 0.00 66.02 63.02 1ipa s SER 5 CO 0.24 0.05 1.68 0.35 1.20 0.00 0.00 173.24 176.77 1ipa n THR 6 N 3.66 0.76 0.72 6.45 -2.24 -1.26 -2.03 114.28 120.34 1ipa n THR 6 Ca -0.10 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1ipa n THR 6 Cb 0.52 -0.97 0.34 0.00 -2.10 0.00 0.00 70.33 68.11 1ipa n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ipa n ALA 7 N -1.69 2.68 -1.67 6.98 0.00 -1.26 -4.30 120.51 121.25 1ipa n ALA 7 Ca 0.03 -0.16 -0.51 0.00 0.00 0.00 0.00 53.44 52.81 1ipa n ALA 7 Cb 0.26 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1ipa n ALA 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ipa n ASN 8 N -1.99 2.79 -0.36 0.00 2.85 -0.86 -4.74 115.26 112.95 1ipa n ASN 8 Ca 0.05 1.05 0.30 0.00 -0.11 0.00 0.00 54.58 55.86 1ipa n ASN 8 Cb 0.41 -1.29 0.60 0.00 1.24 0.00 0.00 39.78 40.74 1ipa n ASN 8 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ipa h PRO 9 N 7.27 0.22 -0.41 1.20 0.13 -1.90 0.33 132.00 138.83 1ipa h PRO 9 Ca -0.47 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1ipa h PRO 9 Cb 1.29 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ipa h PRO 9 CO 0.91 0.15 -0.19 -0.09 -0.23 0.00 0.00 178.00 178.55 1ipa h ARG 10 N 0.23 0.80 0.00 0.86 9.65 -1.96 -2.03 114.38 121.92 1ipa h ARG 10 Ca 0.66 -0.31 -0.15 0.00 -1.10 0.00 0.00 59.98 59.07 1ipa h ARG 10 Cb 1.98 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 30.50 1ipa h ARG 10 CO -0.27 0.93 -0.73 0.82 2.80 0.00 0.00 179.97 183.53 1ipa h ILE 11 N 0.70 1.48 -0.09 1.20 1.08 -0.73 -2.55 117.51 118.60 1ipa h ILE 11 Ca 0.10 -2.52 -0.13 0.00 -0.39 0.00 0.00 64.86 61.93 1ipa h ILE 11 Cb 0.70 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 1ipa h ILE 11 CO 0.05 0.71 -0.50 0.11 -0.69 0.00 0.00 178.15 177.83 1ipa h LYS 12 N 0.00 0.25 -0.24 2.37 1.57 -0.94 -1.59 116.57 117.98 1ipa h LYS 12 Ca -0.01 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.44 1ipa h LYS 12 Cb 1.32 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1ipa h LYS 12 CO 0.09 0.70 -0.59 1.49 -0.57 0.00 0.00 179.45 180.57 1ipa h GLU 13 N 0.20 0.83 -0.19 3.15 4.81 -1.24 -3.18 114.58 118.95 1ipa h GLU 13 Ca 0.01 -0.57 -0.15 0.00 -0.13 0.00 0.00 59.36 58.52 1ipa h GLU 13 Cb 0.96 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1ipa h GLU 13 CO 0.08 1.19 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.99 1ipa h LEU 14 N 0.59 0.57 -1.90 1.64 3.38 -1.37 -3.13 115.31 115.09 1ipa h LEU 14 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ipa h LEU 14 Cb 1.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ipa h LEU 14 CO 0.13 0.97 0.08 0.00 0.09 0.00 0.00 178.44 179.70 1ipa h ALA 15 N 1.05 1.93 0.00 1.53 0.00 -1.29 -1.09 119.26 121.39 1ipa h ALA 15 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ipa h ALA 15 Cb 1.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ipa h ALA 15 CO 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 1ipa h ARG 16 N 0.14 0.00 0.00 0.00 3.08 -1.53 -1.46 114.38 114.61 1ipa h ARG 16 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ipa h ARG 16 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ipa h ARG 16 CO -0.01 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 1ipa n LEU 17 N -3.77 0.00 0.20 3.04 4.32 -0.41 -1.89 117.00 118.49 1ipa n LEU 17 Ca -0.03 0.28 0.14 0.00 -0.02 0.00 0.00 56.01 56.39 1ipa n LEU 17 Cb 0.12 -0.28 0.48 0.00 -1.62 0.00 0.00 43.42 42.11 1ipa n LEU 17 CO 0.28 -0.17 0.90 -0.07 -1.22 0.00 0.00 177.39 177.11 1ipa h LEU 18 N 0.00 0.00 -9.62 2.23 3.38 -1.44 -3.43 115.31 106.43 1ipa h LEU 18 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1ipa h LEU 18 Cb 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1ipa h LEU 18 CO 0.00 0.00 -0.52 -1.61 0.09 0.00 0.00 178.44 176.40 1ipa s GLU 19 N -3.39 3.29 0.11 1.13 2.02 -0.79 -4.86 118.70 116.20 1ipa s GLU 19 Ca 0.05 -0.30 -0.20 0.00 0.02 0.00 0.00 54.97 54.53 1ipa s GLU 19 Cb 0.09 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.20 1ipa s GLU 19 CO 0.54 0.71 1.74 -0.09 0.02 0.00 0.00 175.26 178.18 1ipa h ARG 20 N 4.47 0.22 -1.00 1.61 2.43 -1.86 -2.94 114.38 117.31 1ipa h ARG 20 Ca -0.51 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 58.79 1ipa h ARG 20 Cb 1.20 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.61 1ipa h ARG 20 CO 0.62 0.18 0.62 0.87 -1.51 0.00 0.00 179.97 180.75 1ipa h LYS 21 N 0.20 0.87 -0.18 0.20 6.56 -1.96 -1.06 116.57 121.19 1ipa h LYS 21 Ca 0.06 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.48 1ipa h LYS 21 Cb 0.02 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 1ipa h LYS 21 CO -0.01 0.57 -0.39 0.45 -2.06 0.00 0.00 179.45 178.02 1ipa h HIS 22 N 0.89 0.48 -0.28 -1.35 3.86 -1.79 -1.73 115.15 115.23 1ipa h HIS 22 Ca 0.53 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 59.48 1ipa h HIS 22 Cb 0.65 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1ipa h HIS 22 CO -0.01 0.74 -0.32 0.00 0.86 0.00 0.00 177.93 179.21 1ipa h ARG 23 N 0.35 0.71 -0.39 2.45 3.08 -1.09 -2.72 114.38 116.77 1ipa h ARG 23 Ca 0.03 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.62 1ipa h ARG 23 Cb 0.83 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1ipa h ARG 23 CO 0.07 1.01 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.50 1ipa h ASP 24 N 0.46 0.71 0.03 7.04 3.32 -1.12 0.23 116.42 127.08 1ipa h ASP 24 Ca 0.04 -0.33 -0.16 0.00 0.02 0.00 0.00 57.03 56.60 1ipa h ASP 24 Cb 0.89 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1ipa h ASP 24 CO 0.08 0.87 -0.53 0.77 -1.72 0.00 0.00 179.24 178.71 1ipa h SER 25 N 0.53 0.60 0.17 6.45 4.64 -1.38 -3.10 113.55 121.46 1ipa h SER 25 Ca 0.11 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1ipa h SER 25 Cb 0.53 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ipa h SER 25 CO 0.03 1.02 -0.34 0.00 -0.87 0.00 0.00 176.83 176.66 1ipa n GLN 26 N -3.97 0.90 -3.84 4.77 6.02 -1.02 -4.96 117.38 115.28 1ipa n GLN 26 Ca -0.03 -0.61 -0.27 0.00 -0.01 0.00 0.00 57.00 56.08 1ipa n GLN 26 Cb 0.59 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 30.39 1ipa n GLN 26 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ipa n ARG 27 N -0.52 -5.53 -3.97 -1.09 1.74 0.76 -4.92 116.66 103.14 1ipa n ARG 27 Ca 0.11 0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 57.72 1ipa n ARG 27 Cb 0.38 -5.43 -0.10 0.00 -1.02 0.00 0.00 32.46 26.29 1ipa n ARG 27 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ipa s ARG 28 N -6.43 0.54 0.11 5.56 0.52 -0.95 -0.12 118.95 118.17 1ipa s ARG 28 Ca 0.48 -0.82 -0.20 0.00 -0.52 0.00 0.00 55.73 54.67 1ipa s ARG 28 Cb -0.24 0.21 0.05 0.00 0.52 0.00 0.00 34.95 35.49 1ipa s ARG 28 CO 0.82 -0.12 0.50 -0.59 0.02 0.00 0.00 175.30 175.92 1ipa s PHE 29 N -2.66 -0.38 0.11 -0.53 -0.12 -0.55 -4.40 117.98 109.45 1ipa s PHE 29 Ca -0.05 0.22 -0.10 0.00 -0.05 0.00 0.00 56.93 56.96 1ipa s PHE 29 Cb -0.01 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.69 1ipa s PHE 29 CO -0.05 -0.72 0.42 -0.51 -0.05 0.00 0.00 175.22 174.31 1ipa s LEU 30 N -2.48 4.32 -0.30 -1.99 1.43 -1.26 0.11 118.68 118.51 1ipa s LEU 30 Ca -0.01 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1ipa s LEU 30 Cb 0.00 -3.11 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1ipa s LEU 30 CO -0.08 0.13 0.07 -0.63 0.23 0.00 0.00 176.35 176.06 1ipa s ILE 31 N -1.47 1.26 -0.12 -0.59 1.01 0.05 -4.83 121.20 116.50 1ipa s ILE 31 Ca 0.36 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.23 1ipa s ILE 31 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1ipa s ILE 31 CO 0.19 -0.58 0.63 -0.70 0.00 0.00 0.00 174.94 174.48 1ipa s GLU 32 N 1.44 4.34 0.00 2.79 2.12 -1.26 -1.25 118.70 126.88 1ipa s GLU 32 Ca 0.08 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1ipa s GLU 32 Cb -0.18 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1ipa s GLU 32 CO -0.18 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1ipa n GLY 33 N 3.36 2.80 0.35 -1.50 0.00 -0.80 -4.65 105.19 104.75 1ipa n GLY 33 Ca -0.03 -1.40 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 1ipa n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipa h ALA 34 N 0.00 1.41 -0.06 4.61 0.00 -1.92 -0.11 119.26 123.19 1ipa h ALA 34 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1ipa h ALA 34 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ipa h ALA 34 CO 0.00 0.54 -0.49 -0.09 0.00 0.00 0.00 179.25 179.21 1ipa h ARG 35 N 1.08 0.43 -0.45 0.00 9.65 -1.93 -1.77 114.38 121.39 1ipa h ARG 35 Ca 0.29 -0.39 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1ipa h ARG 35 Cb -0.11 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1ipa h ARG 35 CO -0.06 1.04 0.24 0.93 2.80 0.00 0.00 179.97 184.92 1ipa h GLU 36 N -0.04 0.47 -0.82 0.20 3.07 -1.78 -0.24 114.58 115.45 1ipa h GLU 36 Ca -0.05 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1ipa h GLU 36 Cb 1.16 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 1ipa h GLU 36 CO 0.10 0.31 0.54 0.82 -1.40 0.00 0.00 179.01 179.38 1ipa h ILE 37 N 0.49 1.18 -0.10 3.13 2.04 -1.04 -1.67 117.51 121.55 1ipa h ILE 37 Ca 0.19 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1ipa h ILE 37 Cb 0.07 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1ipa h ILE 37 CO -0.11 0.20 0.03 -0.08 0.00 0.00 0.00 178.15 178.18 1ipa h GLU 38 N 1.08 0.15 -0.43 2.37 4.81 -0.55 -1.83 114.58 120.18 1ipa h GLU 38 Ca 0.31 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1ipa h GLU 38 Cb -0.08 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ipa h GLU 38 CO -0.08 0.31 0.29 0.00 -0.73 0.00 0.00 179.01 178.79 1ipa h ARG 39 N -0.03 0.39 -0.55 1.92 3.08 -0.86 0.68 114.38 119.01 1ipa h ARG 39 Ca 0.03 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ipa h ARG 39 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1ipa h ARG 39 CO -0.00 0.26 -0.09 0.00 -1.07 0.00 0.00 179.97 179.06 1ipa h ALA 40 N 1.76 0.80 -0.48 0.04 0.00 -0.89 -1.42 119.26 119.08 1ipa h ALA 40 Ca 0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1ipa h ALA 40 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ipa h ALA 40 CO -0.04 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.80 1ipa h LEU 41 N 0.91 0.84 -2.37 0.00 3.38 -0.30 -1.24 115.31 116.53 1ipa h LEU 41 Ca 0.15 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ipa h LEU 41 Cb 0.65 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ipa h LEU 41 CO 0.05 0.94 -0.01 1.56 0.09 0.00 0.00 178.44 181.06 1ipa h GLN 42 N 0.71 0.00 -0.02 1.13 4.20 -0.63 -2.11 115.11 118.39 1ipa h GLN 42 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ipa h GLN 42 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1ipa h GLN 42 CO 0.03 0.01 -0.17 0.00 -0.67 0.00 0.00 178.83 178.03 1ipa n ALA 43 N -2.12 2.89 -0.23 3.87 0.00 -0.56 -4.95 120.51 119.41 1ipa n ALA 43 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1ipa n ALA 43 Cb 0.16 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1ipa n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ipa n GLY 44 N 1.31 0.74 3.70 0.00 0.00 -0.79 -5.05 105.19 105.10 1ipa n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ipa n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ipa s ILE 45 N -2.25 3.64 0.10 -0.61 1.01 -0.53 -5.00 121.20 117.57 1ipa s ILE 45 Ca 0.00 1.12 -0.25 0.00 0.00 0.00 0.00 60.65 61.53 1ipa s ILE 45 Cb 0.00 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 1ipa s ILE 45 CO 0.00 0.05 0.75 -1.61 0.00 0.00 0.00 174.94 174.13 1ipa s GLU 46 N 1.66 4.50 0.08 2.79 2.02 -1.26 -4.45 118.70 124.04 1ipa s GLU 46 Ca 0.63 1.08 0.03 0.00 0.02 0.00 0.00 54.97 56.73 1ipa s GLU 46 Cb -0.33 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1ipa s GLU 46 CO 0.28 0.45 0.09 -0.51 0.02 0.00 0.00 175.26 175.59 1ipa s LEU 47 N -0.66 3.83 -0.09 1.80 1.02 -1.26 -1.03 118.68 122.30 1ipa s LEU 47 Ca 0.36 0.00 0.04 0.00 0.02 0.00 0.00 54.13 54.55 1ipa s LEU 47 Cb -0.22 -2.51 -0.08 0.00 0.02 0.00 0.00 46.19 43.41 1ipa s LEU 47 CO 0.24 0.17 -0.03 -0.62 0.02 0.00 0.00 176.35 176.13 1ipa n GLU 48 N 0.42 1.47 -3.55 1.70 1.02 -0.19 -4.89 120.64 116.63 1ipa n GLU 48 Ca -0.08 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.95 1ipa n GLU 48 Cb 0.52 -1.19 -0.05 0.00 -0.02 0.00 0.00 31.44 30.70 1ipa n GLU 48 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1ipa s GLN 49 N -2.19 1.09 -0.04 3.49 -2.07 -1.23 -2.57 119.66 116.14 1ipa s GLN 49 Ca -0.08 -0.32 0.03 0.00 -1.82 0.00 0.00 55.36 53.16 1ipa s GLN 49 Cb 0.03 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1ipa s GLN 49 CO 0.26 -0.41 -0.14 0.00 -1.32 0.00 0.00 175.29 173.68 1ipa s ALA 50 N -2.84 1.31 -0.03 2.60 0.00 -0.51 -0.50 121.76 121.80 1ipa s ALA 50 Ca -0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 1ipa s ALA 50 Cb -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1ipa s ALA 50 CO -0.05 0.21 0.18 -0.51 0.00 0.00 0.00 175.76 175.59 1ipa s LEU 51 N 0.22 4.37 -0.03 0.00 1.02 0.81 -1.09 118.68 123.99 1ipa s LEU 51 Ca -0.06 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.49 1ipa s LEU 51 Cb -0.12 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.57 1ipa s LEU 51 CO 0.02 0.29 -0.07 -0.69 0.02 0.00 0.00 176.35 175.92 1ipa s VAL 52 N -1.27 0.62 0.13 -1.59 1.01 0.97 -2.54 120.40 117.73 1ipa s VAL 52 Ca 0.25 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1ipa s VAL 52 Cb -0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 36.38 35.57 1ipa s VAL 52 CO 0.16 0.21 1.84 1.87 0.00 0.00 0.00 175.10 179.18 1ipa n TRP 53 N 3.45 2.64 0.29 5.22 -0.00 -0.05 0.64 117.44 129.63 1ipa n TRP 53 Ca -0.19 -0.16 0.15 0.00 -0.00 0.00 0.00 57.50 57.30 1ipa n TRP 53 Cb 0.54 -2.74 0.88 0.00 -0.00 0.00 0.00 31.31 29.99 1ipa n TRP 53 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1ipa h GLU 54 N 8.58 0.00 -0.08 5.87 4.11 -0.86 -1.16 114.58 131.05 1ipa h GLU 54 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1ipa h GLU 54 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ipa h GLU 54 CO 0.95 0.04 0.00 0.41 0.07 0.00 0.00 179.01 180.48 1ipa n GLY 55 N -1.05 -0.59 0.00 1.06 0.00 -1.26 -5.01 105.19 98.34 1ipa n GLY 55 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ipa n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipa n GLY 56 N 0.70 1.42 3.42 -0.02 0.00 -0.44 -5.07 105.19 105.21 1ipa n GLY 56 Ca 0.06 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 1ipa n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ipa s LEU 57 N 0.00 2.46 0.80 0.99 1.43 -1.26 -4.56 118.68 118.54 1ipa s LEU 57 Ca 0.00 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1ipa s LEU 57 Cb 0.00 -1.10 0.07 0.00 0.03 0.00 0.00 46.19 45.20 1ipa s LEU 57 CO 0.00 0.08 1.17 0.54 0.23 0.00 0.00 176.35 178.37 1ipa s ASN 58 N -2.83 4.58 0.19 2.29 2.20 -1.26 -4.75 114.94 115.35 1ipa s ASN 58 Ca 0.22 0.79 -0.18 0.00 -0.94 0.00 0.00 52.86 52.74 1ipa s ASN 58 Cb -0.07 -1.31 0.15 0.00 -2.00 0.00 0.00 41.25 38.03 1ipa s ASN 58 CO 0.10 -1.86 1.60 -0.65 -2.94 0.00 0.00 177.10 173.36 1ipa h PRO 59 N -1.01 -0.12 -0.18 3.55 0.11 -2.01 0.19 132.00 132.54 1ipa h PRO 59 Ca -0.46 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ipa h PRO 59 Cb 1.32 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1ipa h PRO 59 CO 0.66 -0.08 0.11 1.49 -0.21 0.00 0.00 178.00 179.96 1ipa h GLU 60 N -0.12 0.24 0.00 1.05 4.81 -2.00 -1.16 114.58 117.40 1ipa h GLU 60 Ca 0.25 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1ipa h GLU 60 Cb 0.52 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1ipa h GLU 60 CO -0.64 0.20 -0.04 0.93 -0.73 0.00 0.00 179.01 178.73 1ipa h GLU 61 N 0.21 0.00 -0.16 1.92 5.08 -1.74 -1.89 114.58 118.00 1ipa h GLU 61 Ca 0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1ipa h GLU 61 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ipa h GLU 61 CO -0.01 0.04 -0.66 0.37 -1.00 0.00 0.00 179.01 177.75 1ipa h GLN 62 N 0.00 0.73 0.00 2.33 5.75 0.39 -1.02 115.11 123.30 1ipa h GLN 62 Ca -0.00 -0.57 -0.10 0.00 -0.15 0.00 0.00 58.65 57.83 1ipa h GLN 62 Cb 0.08 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1ipa h GLN 62 CO 0.01 1.19 -0.48 -0.56 -2.65 0.00 0.00 178.83 176.34 1ipa h GLN 63 N 0.44 0.00 -0.03 1.69 -0.00 -0.71 -0.06 115.11 116.45 1ipa h GLN 63 Ca -0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.39 1ipa h GLN 63 Cb 1.29 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.78 1ipa h GLN 63 CO 0.14 0.48 -0.88 0.28 -0.00 0.00 0.00 178.83 178.85 1ipa h VAL 64 N 0.00 1.32 -0.67 1.86 2.07 -1.35 -2.33 116.25 117.15 1ipa h VAL 64 Ca -0.00 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1ipa h VAL 64 Cb 1.06 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1ipa h VAL 64 CO 0.06 0.66 0.40 0.22 0.02 0.00 0.00 177.57 178.93 1ipa h TYR 65 N 0.29 0.89 -0.15 1.57 -0.00 -1.02 -2.66 116.97 115.89 1ipa h TYR 65 Ca -0.10 -0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.63 1ipa h TYR 65 Cb 1.54 -0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 37.97 1ipa h TYR 65 CO 0.11 0.60 0.08 0.00 -0.00 0.00 0.00 178.16 178.95 1ipa h ALA 66 N 1.21 0.18 0.00 1.82 0.00 -0.98 -3.18 119.26 118.31 1ipa h ALA 66 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 1ipa h ALA 66 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1ipa h ALA 66 CO -0.04 -0.35 0.50 0.00 0.00 0.00 0.00 179.25 179.35 1ipa n ALA 67 N -2.16 5.25 -2.91 0.00 0.00 -0.88 -5.10 120.51 114.71 1ipa n ALA 67 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1ipa n ALA 67 Cb 0.04 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1ipa n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ipa n LEU 68 N 2.88 0.00 0.00 0.00 4.77 -1.21 -4.98 117.00 118.46 1ipa n LEU 68 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ipa n LEU 68 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1ipa n LEU 68 CO 0.28 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.23 1ipa n LEU 74 N 0.00 0.00 -4.74 2.23 7.94 -1.26 -5.15 117.00 116.01 1ipa n LEU 74 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1ipa n LEU 74 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1ipa n LEU 74 CO 0.00 0.00 0.62 0.00 -1.11 0.00 0.00 177.39 176.90 1ipa s ALA 75 N 0.00 3.32 0.14 1.96 0.00 -1.06 -4.89 121.76 121.23 1ipa s ALA 75 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1ipa s ALA 75 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1ipa s ALA 75 CO 0.00 0.12 -0.00 -0.51 0.00 0.00 0.00 175.76 175.37 1ipa s LEU 76 N -0.68 3.35 -0.10 0.00 1.43 -1.26 -1.42 118.68 120.00 1ipa s LEU 76 Ca 0.42 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1ipa s LEU 76 Cb -0.24 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1ipa s LEU 76 CO 0.30 0.12 -0.00 -0.76 0.23 0.00 0.00 176.35 176.24 1ipa s LEU 77 N -2.71 0.80 -0.22 1.79 2.01 -0.25 -4.94 118.68 115.16 1ipa s LEU 77 Ca 0.27 -0.26 -0.29 0.00 0.01 0.00 0.00 54.13 53.85 1ipa s LEU 77 Cb -0.10 -0.53 0.01 0.00 0.01 0.00 0.00 46.19 45.57 1ipa s LEU 77 CO 0.18 -0.20 1.06 -0.70 1.01 0.00 0.00 176.35 177.70 1ipa s GLU 78 N 1.91 4.26 0.24 1.70 2.12 -1.20 -0.02 118.70 127.72 1ipa s GLU 78 Ca 0.04 1.39 0.09 0.00 0.36 0.00 0.00 54.97 56.85 1ipa s GLU 78 Cb -0.13 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 1ipa s GLU 78 CO -0.06 -0.62 -0.14 0.08 -0.54 0.00 0.00 175.26 173.97 1ipa s VAL 79 N 3.17 1.92 0.55 3.70 1.01 0.21 -0.99 120.40 129.96 1ipa s VAL 79 Ca 0.45 -2.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.16 1ipa s VAL 79 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1ipa s VAL 79 CO 0.07 -0.49 0.81 -0.94 0.00 0.00 0.00 175.10 174.56 1ipa s SER 80 N -3.39 5.56 0.18 3.32 1.04 -0.71 -0.11 113.70 119.59 1ipa s SER 80 Ca 0.26 0.45 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 1ipa s SER 80 Cb -0.01 -1.48 0.09 0.00 0.10 0.00 0.00 66.02 64.72 1ipa s SER 80 CO 0.10 -1.00 1.73 -0.08 0.98 0.00 0.00 173.24 174.97 1ipa h GLU 81 N 0.02 0.96 -0.24 4.02 4.81 -1.92 -2.03 114.58 120.20 1ipa h GLU 81 Ca -0.45 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1ipa h GLU 81 Cb 1.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1ipa h GLU 81 CO 0.58 0.82 0.15 0.00 -0.73 0.00 0.00 179.01 179.83 1ipa h ALA 82 N 1.09 1.81 -0.01 2.92 0.00 -1.95 -0.18 119.26 122.95 1ipa h ALA 82 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1ipa h ALA 82 Cb 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ipa h ALA 82 CO -0.01 0.17 -0.47 0.28 0.00 0.00 0.00 179.25 179.21 1ipa h VAL 83 N 0.33 1.46 -0.74 0.00 2.07 -1.70 -2.45 116.25 115.22 1ipa h VAL 83 Ca 0.09 -2.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1ipa h VAL 83 Cb -0.02 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1ipa h VAL 83 CO -0.02 0.57 0.40 -0.07 0.02 0.00 0.00 177.57 178.47 1ipa h LEU 84 N -0.21 0.92 -1.30 2.57 3.38 -1.03 -1.40 115.31 118.24 1ipa h LEU 84 Ca -0.06 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1ipa h LEU 84 Cb 1.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1ipa h LEU 84 CO 0.09 0.74 -0.11 0.50 0.09 0.00 0.00 178.44 179.75 1ipa h LYS 85 N 1.03 0.33 -0.25 1.13 3.64 -1.06 0.29 116.57 121.67 1ipa h LYS 85 Ca 0.26 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1ipa h LYS 85 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ipa h LYS 85 CO -0.04 0.46 -0.27 -0.22 -2.27 0.00 0.00 179.45 177.11 1ipa h LYS 86 N 0.32 0.50 -0.00 1.90 1.63 -0.76 -2.70 116.57 117.45 1ipa h LYS 86 Ca 0.06 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1ipa h LYS 86 Cb 0.40 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1ipa h LYS 86 CO 0.02 0.73 -0.47 1.28 -3.45 0.00 0.00 179.45 177.56 1ipa n LEU 87 N -4.11 0.95 -4.88 5.20 7.99 -0.77 -4.94 117.00 116.44 1ipa n LEU 87 Ca -0.01 -0.25 -0.30 0.00 -0.01 0.00 0.00 56.01 55.44 1ipa n LEU 87 Cb 0.42 -0.14 -0.02 0.00 -0.11 0.00 0.00 43.42 43.57 1ipa n LEU 87 CO 0.42 0.20 0.46 -0.55 -1.51 0.00 0.00 177.39 176.41 1ipa s SER 88 N -2.74 6.47 -0.08 -1.43 0.15 0.94 -5.00 113.70 112.01 1ipa s SER 88 Ca 0.17 1.12 0.12 0.00 0.70 0.00 0.00 55.95 58.06 1ipa s SER 88 Cb 0.18 -2.32 0.18 0.00 -1.71 0.00 0.00 66.02 62.34 1ipa s SER 88 CO 0.64 -0.45 1.07 0.55 1.20 0.00 0.00 173.24 176.24 1ipa n VAL 89 N -1.52 1.32 -4.31 4.45 3.14 -1.26 -4.96 118.33 115.19 1ipa n VAL 89 Ca 0.02 -1.55 -0.25 0.00 -2.96 0.00 0.00 64.34 59.61 1ipa n VAL 89 Cb 0.54 0.07 -0.08 0.00 -1.06 0.00 0.00 33.84 33.31 1ipa n VAL 89 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1ipa s ARG 90 N -1.92 2.11 0.08 1.45 0.52 -1.26 -5.03 118.95 114.90 1ipa s ARG 90 Ca 0.19 -1.77 -0.19 0.00 -0.52 0.00 0.00 55.73 53.45 1ipa s ARG 90 Cb 0.17 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.61 1ipa s ARG 90 CO 0.02 0.09 1.47 -0.44 0.02 0.00 0.00 175.30 176.46 1ipa h ASP 91 N 1.74 0.45 -3.85 0.23 3.32 -2.01 -3.39 116.42 112.92 1ipa h ASP 91 Ca -0.43 -0.36 -0.67 0.00 0.02 0.00 0.00 57.03 55.59 1ipa h ASP 91 Cb 1.25 -0.12 -0.37 0.00 0.22 0.00 0.00 39.33 40.30 1ipa h ASP 91 CO 0.68 0.71 -0.79 0.20 -1.72 0.00 0.00 179.24 178.31 1ipa s ASN 92 N -6.04 4.49 0.64 6.45 -0.87 -1.26 -5.12 114.94 113.23 1ipa s ASN 92 Ca -0.14 -1.50 -0.18 0.00 -1.57 0.00 0.00 52.86 49.48 1ipa s ASN 92 Cb 0.07 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.25 39.73 1ipa s ASN 92 CO 0.76 -0.21 1.22 -2.16 -2.57 0.00 0.00 177.10 174.13 1ipa s PRO 93 N 1.08 2.70 1.00 -0.60 0.04 -1.26 -5.03 135.00 132.92 1ipa s PRO 93 Ca -0.06 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 1ipa s PRO 93 Cb -0.20 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.64 1ipa s PRO 93 CO -0.05 -1.43 1.10 0.00 0.04 0.00 0.00 177.00 176.65 1ipa s ALA 94 N -1.66 0.97 -1.91 8.56 0.00 -1.26 -4.94 121.76 121.52 1ipa s ALA 94 Ca 0.78 -0.39 0.24 0.00 0.00 0.00 0.00 51.96 52.58 1ipa s ALA 94 Cb -0.31 -3.10 0.30 0.00 0.00 0.00 0.00 23.12 20.00 1ipa s ALA 94 CO 0.37 -2.84 1.28 0.41 0.00 0.00 0.00 175.76 174.99 1ipa n GLY 95 N -1.17 -0.24 2.77 0.00 0.00 -1.26 -4.80 105.19 100.48 1ipa n GLY 95 Ca 0.05 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1ipa n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ipa s LEU 96 N -2.50 0.80 -0.04 0.99 2.96 -1.26 -0.87 118.68 118.75 1ipa s LEU 96 Ca 0.21 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1ipa s LEU 96 Cb 0.19 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.37 1ipa s LEU 96 CO 0.56 -0.23 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.59 1ipa s ILE 97 N 1.93 1.21 0.27 6.68 1.01 -1.05 -1.90 121.20 129.34 1ipa s ILE 97 Ca 0.03 -0.58 0.11 0.00 0.00 0.00 0.00 60.65 60.21 1ipa s ILE 97 Cb -0.14 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1ipa s ILE 97 CO -0.06 0.36 -0.12 0.00 0.00 0.00 0.00 174.94 175.12 1ipa s ALA 98 N 0.21 2.92 -0.22 9.38 0.00 -0.38 -0.13 121.76 133.54 1ipa s ALA 98 Ca -0.06 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.06 1ipa s ALA 98 Cb -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1ipa s ALA 98 CO 0.02 0.29 0.08 -1.17 0.00 0.00 0.00 175.76 174.97 1ipa s LEU 99 N -3.52 3.67 0.23 0.00 2.96 0.34 -0.77 118.68 121.59 1ipa s LEU 99 Ca 0.30 -0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.27 1ipa s LEU 99 Cb -0.06 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1ipa s LEU 99 CO 0.17 0.07 -0.19 0.00 -1.32 0.00 0.00 176.35 175.07 1ipa s ALA 100 N 1.01 2.71 -0.15 5.97 0.00 0.12 -1.02 121.76 130.40 1ipa s ALA 100 Ca 0.04 -1.71 -0.19 0.00 0.00 0.00 0.00 51.96 50.10 1ipa s ALA 100 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1ipa s ALA 100 CO 0.03 0.37 0.54 1.03 0.00 0.00 0.00 175.76 177.73 1ipa s ARG 101 N -3.07 4.29 -0.18 0.00 1.81 -0.20 -1.49 118.95 120.12 1ipa s ARG 101 Ca 0.25 0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 54.50 1ipa s ARG 101 Cb -0.07 -3.50 -0.05 0.00 -0.45 0.00 0.00 34.95 30.89 1ipa s ARG 101 CO 0.13 -0.01 1.93 1.41 -0.68 0.00 0.00 175.30 178.09 1ipa s MET 102 N 1.14 3.57 1.00 3.54 -2.45 0.82 -4.48 119.30 122.44 1ipa s MET 102 Ca 0.27 1.96 -0.21 0.00 -1.25 0.00 0.00 55.69 56.47 1ipa s MET 102 Cb -0.16 -4.21 -0.17 0.00 1.25 0.00 0.00 34.83 31.55 1ipa s MET 102 CO 0.11 -1.59 -1.11 -2.30 1.05 0.00 0.00 175.02 171.18 1ipa n PRO 103 N 8.14 -0.01 -2.38 4.11 -0.02 -1.26 -4.81 135.00 138.77 1ipa n PRO 103 Ca 0.24 -0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1ipa n PRO 103 Cb 0.44 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1ipa n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ipa n GLU 104 N 2.47 3.12 -1.22 -0.52 1.02 -1.26 -4.91 120.64 119.34 1ipa n GLU 104 Ca -0.02 -3.12 -0.22 0.00 -0.02 0.00 0.00 57.16 53.78 1ipa n GLU 104 Cb 0.64 -3.44 -0.17 0.00 -0.02 0.00 0.00 31.44 28.45 1ipa n GLU 104 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ipa n ARG 105 N 7.78 0.00 -2.50 3.49 1.85 -1.26 -4.83 116.66 121.20 1ipa n ARG 105 Ca 0.50 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.92 1ipa n ARG 105 Cb 0.44 -0.93 -0.03 0.00 -1.05 0.00 0.00 32.46 30.90 1ipa n ARG 105 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1ipa s THR 106 N 2.08 4.35 -0.16 8.89 -1.32 -1.26 -4.93 115.64 123.30 1ipa s THR 106 Ca 1.08 1.66 0.01 0.00 -1.21 0.00 0.00 61.69 63.23 1ipa s THR 106 Cb -0.79 -4.07 0.19 0.00 -1.51 0.00 0.00 72.50 66.32 1ipa s THR 106 CO 0.45 -0.02 1.49 0.18 -2.21 0.00 0.00 174.62 174.51 1ipa n LEU 107 N 5.33 4.70 -4.77 9.08 4.77 -1.26 -4.94 117.00 129.91 1ipa n LEU 107 Ca 0.11 -2.39 -0.41 0.00 -0.03 0.00 0.00 56.01 53.29 1ipa n LEU 107 Cb 0.46 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1ipa n LEU 107 CO 0.55 0.81 0.96 -1.61 -1.33 0.00 0.00 177.39 176.76 1ipa s GLU 108 N -1.06 4.39 0.55 3.23 2.02 -1.26 -5.01 118.70 121.55 1ipa s GLU 108 Ca 0.18 2.17 -0.07 0.00 0.02 0.00 0.00 54.97 57.27 1ipa s GLU 108 Cb 0.15 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 1ipa s GLU 108 CO 0.02 -0.14 0.88 -1.83 0.02 0.00 0.00 175.26 174.21 1ipa s GLU 109 N -1.73 3.37 -0.05 1.61 -1.05 -1.26 -5.09 118.70 114.50 1ipa s GLU 109 Ca 0.48 0.27 0.05 0.00 -0.15 0.00 0.00 54.97 55.63 1ipa s GLU 109 Cb -0.39 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.02 1ipa s GLU 109 CO 0.51 -0.43 -0.20 -0.47 0.95 0.00 0.00 175.26 175.62 1ipa s TYR 110 N -2.92 2.02 -0.09 4.83 5.04 -1.26 -5.11 117.35 119.86 1ipa s TYR 110 Ca 0.51 -0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 54.52 1ipa s TYR 110 Cb -0.11 -1.35 0.03 0.00 0.35 0.00 0.00 41.96 40.88 1ipa s TYR 110 CO 0.47 -0.21 -0.05 -0.98 -1.34 0.00 0.00 175.55 173.45 1ipa s ARG 111 N 0.01 1.14 0.19 4.97 1.04 -1.26 -5.12 118.95 119.93 1ipa s ARG 111 Ca -0.05 -0.12 -0.33 0.00 -1.04 0.00 0.00 55.73 54.20 1ipa s ARG 111 Cb -0.13 -1.30 -0.14 0.00 -2.04 0.00 0.00 34.95 31.34 1ipa s ARG 111 CO 0.03 -0.25 1.37 -0.35 -0.04 0.00 0.00 175.30 176.06 1ipa n PRO 112 N 4.90 1.74 -2.33 3.89 -0.04 -1.26 -5.00 135.00 136.91 1ipa n PRO 112 Ca -0.12 0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 63.70 1ipa n PRO 112 Cb 0.50 -2.26 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1ipa n PRO 112 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ipa s SER 113 N 0.34 5.47 0.00 3.54 1.04 -1.26 -4.92 113.70 117.91 1ipa s SER 113 Ca 0.73 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1ipa s SER 113 Cb -0.74 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1ipa s SER 113 CO 0.48 -1.16 0.90 -0.81 0.98 0.00 0.00 173.24 173.63 1ipa n PRO 114 N -2.66 0.00 -0.15 4.02 -0.04 -1.26 -0.43 135.00 134.47 1ipa n PRO 114 Ca 0.05 0.40 0.05 0.00 -0.04 0.00 0.00 63.50 63.97 1ipa n PRO 114 Cb 0.58 -1.53 0.12 0.00 -0.04 0.00 0.00 33.50 32.63 1ipa n PRO 114 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ipa n ASP 115 N -1.40 2.70 -4.63 3.54 8.00 -1.26 -3.72 116.55 119.78 1ipa n ASP 115 Ca 0.00 -2.34 -0.43 0.00 0.71 0.00 0.00 54.79 52.74 1ipa n ASP 115 Cb 0.03 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1ipa n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ipa n ALA 116 N -0.29 1.69 -3.26 2.24 0.00 0.42 -4.68 120.51 116.64 1ipa n ALA 116 Ca 0.10 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 1ipa n ALA 116 Cb 0.48 -2.81 -0.12 0.00 0.00 0.00 0.00 19.45 16.99 1ipa n ALA 116 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ipa s LEU 117 N 6.54 4.28 -0.09 0.00 2.96 -1.21 -0.98 118.68 130.18 1ipa s LEU 117 Ca 0.96 -1.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1ipa s LEU 117 Cb -0.39 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1ipa s LEU 117 CO 0.39 -0.32 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.31 1ipa s ILE 118 N 1.39 2.84 -0.21 6.68 1.01 -0.44 0.30 121.20 132.77 1ipa s ILE 118 Ca -0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 1ipa s ILE 118 Cb -0.19 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1ipa s ILE 118 CO 0.03 0.56 0.03 -0.22 0.00 0.00 0.00 174.94 175.33 1ipa s LEU 119 N -0.10 3.38 -0.31 2.97 2.96 -0.66 -0.63 118.68 126.29 1ipa s LEU 119 Ca -0.03 -0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1ipa s LEU 119 Cb -0.14 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1ipa s LEU 119 CO 0.04 0.05 0.10 -0.69 -1.32 0.00 0.00 176.35 174.53 1ipa s VAL 120 N 1.08 4.02 -0.23 1.68 1.01 0.13 -0.03 120.40 128.06 1ipa s VAL 120 Ca 0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1ipa s VAL 120 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1ipa s VAL 120 CO 0.02 0.03 0.13 0.00 0.00 0.00 0.00 175.10 175.28 1ipa s ALA 121 N 1.50 3.49 -0.11 5.51 0.00 0.03 -1.21 121.76 130.98 1ipa s ALA 121 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1ipa s ALA 121 Cb -0.18 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1ipa s ALA 121 CO 0.03 -0.17 -0.11 0.08 0.00 0.00 0.00 175.76 175.59 1ipa s VAL 122 N 1.02 3.27 -0.74 0.00 1.01 0.32 -0.92 120.40 124.36 1ipa s VAL 122 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1ipa s VAL 122 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1ipa s VAL 122 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1ipa n GLY 123 N 3.12 0.80 3.46 4.51 0.00 -1.24 -2.55 105.19 113.29 1ipa n GLY 123 Ca -0.18 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1ipa n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ipa s LEU 124 N -1.71 4.58 -0.01 0.99 2.96 -1.26 -4.65 118.68 119.58 1ipa s LEU 124 Ca 0.00 -0.83 0.07 0.00 -0.22 0.00 0.00 54.13 53.15 1ipa s LEU 124 Cb 0.00 -2.54 -0.10 0.00 0.50 0.00 0.00 46.19 44.05 1ipa s LEU 124 CO 0.00 -1.19 0.15 -0.62 -1.32 0.00 0.00 176.35 173.37 1ipa n GLU 125 N 7.06 0.29 -2.94 1.98 1.02 -1.26 -4.88 120.64 121.90 1ipa n GLU 125 Ca -0.04 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1ipa n GLU 125 Cb 0.46 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.67 1ipa n GLU 125 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ipa s LYS 126 N -2.45 3.98 0.33 3.49 -0.14 -1.26 -4.94 119.74 118.75 1ipa s LYS 126 Ca -0.02 0.61 0.10 0.00 -1.36 0.00 0.00 55.97 55.30 1ipa s LYS 126 Cb 0.04 -3.72 0.90 0.00 -1.68 0.00 0.00 37.83 33.37 1ipa s LYS 126 CO 0.28 -0.66 1.74 -1.35 -0.76 0.00 0.00 175.35 174.59 1ipa h PRO 127 N 8.08 0.56 -0.21 -1.68 0.11 -1.95 0.40 132.00 137.30 1ipa h PRO 127 Ca -0.24 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1ipa h PRO 127 Cb 1.10 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ipa h PRO 127 CO 0.88 0.37 0.09 0.78 -0.21 0.00 0.00 178.00 179.91 1ipa h GLY 128 N 0.57 0.34 1.00 -0.55 0.00 -1.92 -0.89 103.07 101.62 1ipa h GLY 128 Ca 0.63 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1ipa h GLY 128 CO -0.44 0.18 0.24 3.43 0.00 0.00 0.00 176.54 179.94 1ipa h ASN 129 N 0.19 0.83 -0.45 0.19 -0.26 -1.09 -1.76 115.58 113.24 1ipa h ASN 129 Ca 0.07 -0.17 0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1ipa h ASN 129 Cb 0.17 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.17 1ipa h ASN 129 CO -0.01 0.77 0.18 0.25 -1.06 0.00 0.00 177.43 177.57 1ipa h LEU 130 N 0.83 0.22 -0.42 1.61 5.85 -0.15 -0.35 115.31 122.90 1ipa h LEU 130 Ca 0.20 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1ipa h LEU 130 Cb 0.20 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1ipa h LEU 130 CO -0.02 0.16 0.16 1.23 -0.34 0.00 0.00 178.44 179.64 1ipa h GLY 131 N 0.37 0.68 1.01 3.75 0.00 -0.88 -1.51 103.07 106.47 1ipa h GLY 131 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ipa h GLY 131 CO -0.19 0.35 0.40 0.00 0.00 0.00 0.00 176.54 177.10 1ipa h ALA 132 N 1.01 0.92 -0.69 3.60 0.00 -0.93 -1.93 119.26 121.24 1ipa h ALA 132 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ipa h ALA 132 Cb 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1ipa h ALA 132 CO -0.01 0.43 0.37 0.28 0.00 0.00 0.00 179.25 180.32 1ipa h VAL 133 N 0.99 1.21 -0.28 0.00 2.07 -0.88 -2.05 116.25 117.32 1ipa h VAL 133 Ca 0.25 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1ipa h VAL 133 Cb 0.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1ipa h VAL 133 CO -0.04 0.24 -0.04 -0.07 0.02 0.00 0.00 177.57 177.67 1ipa h LEU 134 N 0.95 0.41 -0.35 2.57 3.38 -0.91 -0.69 115.31 120.67 1ipa h LEU 134 Ca 0.24 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1ipa h LEU 134 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ipa h LEU 134 CO -0.04 0.51 -0.04 -0.09 0.09 0.00 0.00 178.44 178.87 1ipa h ARG 135 N 0.42 0.64 -0.54 1.13 2.43 -0.93 -0.40 114.38 117.13 1ipa h ARG 135 Ca 0.09 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1ipa h ARG 135 Cb 0.34 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1ipa h ARG 135 CO 0.01 0.78 -0.03 0.77 -1.51 0.00 0.00 179.97 180.00 1ipa h SER 136 N 0.44 0.96 -0.22 -3.80 0.02 -0.98 -1.72 113.55 108.25 1ipa h SER 136 Ca 0.09 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1ipa h SER 136 Cb 0.52 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ipa h SER 136 CO 0.03 1.05 -0.13 0.00 -1.14 0.00 0.00 176.83 176.63 1ipa h ALA 137 N 0.95 1.11 -0.24 3.77 0.00 -1.02 -2.16 119.26 121.67 1ipa h ALA 137 Ca 0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1ipa h ALA 137 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ipa h ALA 137 CO 0.03 0.55 -0.16 0.22 0.00 0.00 0.00 179.25 179.90 1ipa h ASP 138 N 0.57 0.55 -0.81 0.00 3.58 -0.89 0.66 116.42 120.07 1ipa h ASP 138 Ca 0.10 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1ipa h ASP 138 Cb 0.56 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1ipa h ASP 138 CO 0.04 0.87 0.45 0.00 -2.88 0.00 0.00 179.24 177.71 1ipa h ALA 139 N 0.70 1.04 0.00 -0.78 0.00 -1.21 -2.19 119.26 116.82 1ipa h ALA 139 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ipa h ALA 139 Cb 0.68 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ipa h ALA 139 CO 0.04 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 1ipa h ALA 140 N 1.24 1.00 0.00 0.00 0.00 -1.37 -3.47 119.26 116.65 1ipa h ALA 140 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ipa h ALA 140 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ipa h ALA 140 CO -0.05 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1ipa n GLY 141 N 0.40 0.94 3.62 0.00 0.00 -0.82 -4.81 105.19 104.52 1ipa n GLY 141 Ca 0.02 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1ipa n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipa n ALA 142 N -1.69 0.21 0.06 4.61 0.00 0.17 -4.81 120.51 119.05 1ipa n ALA 142 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1ipa n ALA 142 Cb 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 1ipa n ALA 142 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ipa h GLU 143 N 0.61 0.00 -2.25 0.00 4.81 -0.48 -3.46 114.58 113.82 1ipa h GLU 143 Ca -0.48 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1ipa h GLU 143 Cb 1.36 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.57 1ipa h GLU 143 CO 0.51 0.48 0.41 0.00 -0.73 0.00 0.00 179.01 179.69 1ipa s ALA 144 N -2.86 -1.79 -0.19 2.92 0.00 -1.22 -4.37 121.76 114.24 1ipa s ALA 144 Ca -0.01 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1ipa s ALA 144 Cb 0.08 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1ipa s ALA 144 CO 0.80 -0.59 -0.14 0.08 0.00 0.00 0.00 175.76 175.90 1ipa s VAL 145 N -2.63 1.85 -0.32 0.00 1.01 -0.09 -1.65 120.40 118.56 1ipa s VAL 145 Ca 0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1ipa s VAL 145 Cb -0.01 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1ipa s VAL 145 CO -0.05 0.31 0.20 -0.76 0.00 0.00 0.00 175.10 174.79 1ipa s LEU 146 N 1.33 4.28 -0.29 3.92 1.43 0.95 -1.29 118.68 129.01 1ipa s LEU 146 Ca 0.01 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1ipa s LEU 146 Cb -0.15 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1ipa s LEU 146 CO -0.10 -0.18 0.25 -0.69 0.23 0.00 0.00 176.35 175.86 1ipa s VAL 147 N 1.69 5.26 -1.08 -1.59 1.01 0.31 -0.79 120.40 125.22 1ipa s VAL 147 Ca 0.06 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 1ipa s VAL 147 Cb -0.17 -3.61 0.15 0.00 0.00 0.00 0.00 36.38 32.75 1ipa s VAL 147 CO 0.09 0.18 1.29 0.00 0.00 0.00 0.00 175.10 176.66 1ipa s ALA 148 N 1.85 3.73 0.00 5.51 0.00 -0.10 -2.30 121.76 130.46 1ipa s ALA 148 Ca 0.09 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 48.95 1ipa s ALA 148 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1ipa s ALA 148 CO 0.11 -2.86 0.00 0.41 0.00 0.00 0.00 175.76 173.42 1ipa n GLY 149 N 4.71 -0.20 1.36 0.00 0.00 -0.98 -3.74 105.19 106.34 1ipa n GLY 149 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ipa n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipa n GLY 150 N 0.00 -4.40 3.15 -0.02 0.00 -1.26 -4.81 105.19 97.84 1ipa n GLY 150 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1ipa n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ipa s VAL 151 N -3.18 0.09 -0.34 1.61 0.11 -1.26 -4.92 120.40 112.50 1ipa s VAL 151 Ca 0.00 -0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1ipa s VAL 151 Cb 0.00 -0.60 0.11 0.00 -1.53 0.00 0.00 36.38 34.36 1ipa s VAL 151 CO 0.00 -0.39 0.14 -0.62 -3.33 0.00 0.00 175.10 170.89 1ipa s ASP 152 N -1.57 3.88 0.00 3.54 -1.08 -1.26 -5.01 116.67 115.17 1ipa s ASP 152 Ca -0.12 -1.90 0.18 0.00 -0.52 0.00 0.00 52.55 50.19 1ipa s ASP 152 Cb -0.05 -0.87 0.83 0.00 -1.46 0.00 0.00 42.92 41.36 1ipa s ASP 152 CO 0.01 -0.38 1.58 0.18 0.52 0.00 0.00 175.17 177.08 1ipa n LEU 153 N 4.50 0.00 -0.32 -1.34 4.77 -1.26 -3.53 117.00 119.82 1ipa n LEU 153 Ca 0.01 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.46 1ipa n LEU 153 Cb 0.40 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1ipa n LEU 153 CO 0.14 -0.16 0.50 -1.22 -1.33 0.00 0.00 177.39 175.32 1ipa n TYR 154 N -1.44 0.17 -2.16 -1.77 4.02 -1.26 -4.81 117.16 109.92 1ipa n TYR 154 Ca 0.06 -0.33 -0.35 0.00 -0.01 0.00 0.00 57.90 57.27 1ipa n TYR 154 Cb 0.19 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 39.50 1ipa n TYR 154 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1ipa s SER 155 N -0.84 5.52 0.30 7.72 1.04 -1.23 -4.79 113.70 121.43 1ipa s SER 155 Ca 0.11 2.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.78 1ipa s SER 155 Cb 0.06 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 64.06 1ipa s SER 155 CO 0.09 -1.36 1.94 -0.65 0.98 0.00 0.00 173.24 174.23 1ipa h PRO 156 N 1.07 0.97 -0.08 4.02 0.11 -1.89 -2.33 132.00 133.88 1ipa h PRO 156 Ca -0.50 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 65.34 1ipa h PRO 156 Cb 1.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ipa h PRO 156 CO 0.56 0.70 -0.69 -0.56 -0.21 0.00 0.00 178.00 177.80 1ipa h GLN 157 N 0.98 0.35 -0.43 1.05 -0.00 -1.92 -1.30 115.11 113.84 1ipa h GLN 157 Ca 0.25 -0.27 -0.12 0.00 -0.00 0.00 0.00 58.65 58.51 1ipa h GLN 157 Cb -0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.52 1ipa h GLN 157 CO -0.04 0.91 -0.22 0.28 -0.00 0.00 0.00 178.83 179.75 1ipa h VAL 158 N 0.24 1.27 -0.25 1.86 2.07 -1.61 -1.30 116.25 118.53 1ipa h VAL 158 Ca -0.02 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1ipa h VAL 158 Cb 1.25 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1ipa h VAL 158 CO 0.12 0.46 -0.04 0.40 0.02 0.00 0.00 177.57 178.53 1ipa h ILE 159 N 0.76 1.27 0.01 4.57 2.04 -1.32 -2.38 117.51 122.46 1ipa h ILE 159 Ca 0.10 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1ipa h ILE 159 Cb 0.77 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1ipa h ILE 159 CO 0.06 0.32 -0.00 -0.09 0.00 0.00 0.00 178.15 178.44 1ipa h ARG 160 N 0.23 -0.01 0.00 2.37 2.43 -1.17 -0.96 114.38 117.27 1ipa h ARG 160 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ipa h ARG 160 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1ipa h ARG 160 CO 0.02 0.45 0.00 -0.91 -1.51 0.00 0.00 179.97 178.02 1ipa h ASN 161 N -0.47 0.00 -0.01 -3.80 4.21 -1.32 -0.25 115.58 113.93 1ipa h ASN 161 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ipa h ASN 161 Cb 0.46 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1ipa h ASN 161 CO 0.00 0.00 -0.14 -1.54 -1.29 0.00 0.00 177.43 174.46 1ipa n SER 162 N -2.72 2.53 -3.35 5.81 3.41 -0.89 -3.08 113.62 115.32 1ipa n SER 162 Ca -0.00 -1.78 -0.24 0.00 -0.26 0.00 0.00 58.87 56.59 1ipa n SER 162 Cb 0.18 0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1ipa n SER 162 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ipa n THR 163 N 0.80 -1.36 -0.23 6.66 -2.24 -0.11 -1.46 114.28 116.35 1ipa n THR 163 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ipa n THR 163 Cb 0.53 -2.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1ipa n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ipa n GLY 164 N -1.32 1.60 0.32 3.38 0.00 -0.41 -4.63 105.19 104.14 1ipa n GLY 164 Ca -0.03 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.18 1ipa n GLY 164 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ipa h VAL 165 N 0.00 0.22 0.00 1.61 2.07 -1.54 -2.43 116.25 116.18 1ipa h VAL 165 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ipa h VAL 165 Cb 0.00 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1ipa h VAL 165 CO 0.00 0.00 -0.02 -0.37 0.02 0.00 0.00 177.57 177.20 1ipa h VAL 166 N 0.00 0.43 0.00 2.57 -1.51 -1.88 -1.34 116.25 114.53 1ipa h VAL 166 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1ipa h VAL 166 Cb 0.04 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1ipa h VAL 166 CO -0.00 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.85 1ipa n PHE 167 N -3.68 0.00 0.00 5.19 0.99 -0.91 -4.18 117.46 114.87 1ipa n PHE 167 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1ipa n PHE 167 Cb 0.10 -0.49 0.00 0.00 -1.00 0.00 0.00 39.48 38.09 1ipa n PHE 167 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1ipa n SER 168 N -1.49 1.77 -4.65 4.37 3.41 -0.71 -4.84 113.62 111.47 1ipa n SER 168 Ca 0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1ipa n SER 168 Cb 0.23 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1ipa n SER 168 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ipa s LEU 169 N -1.68 4.06 -0.38 1.04 2.96 -0.59 -4.95 118.68 119.14 1ipa s LEU 169 Ca 0.00 1.30 -0.31 0.00 -0.22 0.00 0.00 54.13 54.91 1ipa s LEU 169 Cb 0.00 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 1ipa s LEU 169 CO 0.00 -0.72 2.28 -1.14 -1.32 0.00 0.00 176.35 175.45 1ipa n ARG 170 N 6.46 1.28 -4.03 1.98 0.63 -1.26 -4.89 116.66 116.83 1ipa n ARG 170 Ca 0.12 0.29 -0.31 0.00 -0.92 0.00 0.00 57.85 57.03 1ipa n ARG 170 Cb 0.46 -2.85 -0.16 0.00 0.45 0.00 0.00 32.46 30.36 1ipa n ARG 170 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ipa s THR 171 N 8.77 1.74 0.15 5.15 2.01 -1.26 -0.91 115.64 131.29 1ipa s THR 171 Ca 1.06 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 62.20 1ipa s THR 171 Cb -0.58 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1ipa s THR 171 CO 0.40 0.28 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.62 1ipa s LEU 172 N 1.37 2.38 0.25 4.42 2.01 -0.41 -4.99 118.68 123.70 1ipa s LEU 172 Ca 0.01 -0.80 0.10 0.00 0.01 0.00 0.00 54.13 53.45 1ipa s LEU 172 Cb -0.15 -1.09 -0.05 0.00 0.01 0.00 0.00 46.19 44.91 1ipa s LEU 172 CO -0.09 0.11 -0.18 0.00 1.01 0.00 0.00 176.35 177.19 1ipa s ALA 173 N -1.45 2.44 0.00 4.21 0.00 -1.26 0.12 121.76 125.82 1ipa s ALA 173 Ca 0.15 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1ipa s ALA 173 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1ipa s ALA 173 CO 0.07 0.19 0.00 0.00 0.00 0.00 0.00 175.76 176.03 1ipa n ALA 174 N -0.51 0.00 -1.44 0.00 0.00 -0.97 -4.94 120.51 112.65 1ipa n ALA 174 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1ipa n ALA 174 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.11 1ipa n ALA 174 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ipa s SER 175 N 0.00 4.91 0.20 0.00 1.04 -1.26 -2.32 113.70 116.27 1ipa s SER 175 Ca 0.00 1.97 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 1ipa s SER 175 Cb 0.00 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.85 1ipa s SER 175 CO 0.00 -1.76 1.72 -0.33 0.98 0.00 0.00 173.24 173.85 1ipa h GLU 176 N -0.29 0.31 -0.67 4.02 5.08 -1.94 0.14 114.58 121.22 1ipa h GLU 176 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ipa h GLU 176 Cb 1.24 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1ipa h GLU 176 CO 0.53 0.20 0.43 0.77 -1.00 0.00 0.00 179.01 179.94 1ipa h SER 177 N 0.32 0.78 -0.60 1.42 0.02 -1.99 0.60 113.55 114.11 1ipa h SER 177 Ca 0.30 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1ipa h SER 177 Cb 0.41 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1ipa h SER 177 CO -0.35 0.59 0.25 -0.33 -1.14 0.00 0.00 176.83 175.85 1ipa h GLU 178 N 0.91 0.89 -0.39 3.45 5.08 -1.53 -0.18 114.58 122.82 1ipa h GLU 178 Ca 0.24 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1ipa h GLU 178 Cb -0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1ipa h GLU 178 CO -0.05 0.75 -0.28 0.28 -1.00 0.00 0.00 179.01 178.71 1ipa h VAL 179 N 0.83 1.28 -0.63 3.13 2.07 -0.45 -1.53 116.25 120.94 1ipa h VAL 179 Ca 0.20 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1ipa h VAL 179 Cb 0.18 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1ipa h VAL 179 CO -0.02 0.48 0.18 -0.07 0.02 0.00 0.00 177.57 178.16 1ipa h LEU 180 N 0.68 0.93 -1.17 2.57 3.38 -0.70 -0.99 115.31 120.01 1ipa h LEU 180 Ca 0.07 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1ipa h LEU 180 Cb 0.86 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1ipa h LEU 180 CO 0.08 0.90 -0.23 0.44 0.09 0.00 0.00 178.44 179.72 1ipa h ASP 181 N 0.91 0.30 -0.19 -0.43 3.45 -0.97 -2.69 116.42 116.80 1ipa h ASP 181 Ca 0.20 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 1ipa h ASP 181 Cb 0.31 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 1ipa h ASP 181 CO -0.00 0.53 0.03 -0.25 -1.57 0.00 0.00 179.24 177.99 1ipa h TRP 182 N 0.27 0.33 0.05 4.55 7.01 -0.58 -0.65 115.95 126.92 1ipa h TRP 182 Ca 0.05 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1ipa h TRP 182 Cb 0.56 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 1ipa h TRP 182 CO 0.01 0.45 -0.37 0.82 -2.79 0.00 0.00 178.44 176.56 1ipa h ILE 183 N 0.11 0.22 -0.16 2.65 1.08 -0.92 -1.57 117.51 118.91 1ipa h ILE 183 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1ipa h ILE 183 Cb 0.30 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1ipa h ILE 183 CO 0.00 0.00 -0.01 0.11 -0.69 0.00 0.00 178.15 177.56 1ipa h LYS 184 N -0.56 0.23 -0.28 2.37 1.79 -1.47 -1.93 116.57 116.72 1ipa h LYS 184 Ca 0.04 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1ipa h LYS 184 Cb 0.62 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1ipa h LYS 184 CO -0.26 0.27 0.19 0.37 -1.08 0.00 0.00 179.45 178.93 1ipa h GLN 185 N 0.23 0.24 -0.37 3.15 5.75 -0.10 -1.68 115.11 122.32 1ipa h GLN 185 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1ipa h GLN 185 Cb 0.18 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.68 1ipa h GLN 185 CO 0.00 0.16 0.00 0.72 -2.65 0.00 0.00 178.83 177.06 1ipa n HIS 186 N -4.49 0.97 -4.09 3.99 8.25 -0.81 -4.96 115.22 114.08 1ipa n HIS 186 Ca 0.02 -0.72 -0.27 0.00 -0.26 0.00 0.00 57.72 56.49 1ipa n HIS 186 Cb 0.17 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 1ipa n HIS 186 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ipa n ASN 187 N 0.13 0.14 -4.55 0.41 3.02 -0.63 -4.89 115.26 108.88 1ipa n ASN 187 Ca 0.20 -1.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.22 1ipa n ASN 187 Cb 0.78 -2.52 -0.08 0.00 -0.61 0.00 0.00 39.78 37.36 1ipa n ASN 187 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ipa s LEU 188 N -7.12 4.37 0.34 3.41 2.96 -0.79 -5.03 118.68 116.81 1ipa s LEU 188 Ca 0.01 -0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 53.59 1ipa s LEU 188 Cb -0.00 -2.63 -0.12 0.00 0.50 0.00 0.00 46.19 43.94 1ipa s LEU 188 CO 0.93 -0.53 1.30 -0.81 -1.32 0.00 0.00 176.35 175.92 1ipa n PRO 189 N 5.83 2.14 -5.05 0.98 -0.04 -1.26 -4.75 135.00 132.85 1ipa n PRO 189 Ca -0.04 0.75 -0.30 0.00 -0.04 0.00 0.00 63.50 63.88 1ipa n PRO 189 Cb 0.49 -2.34 -0.17 0.00 -0.04 0.00 0.00 33.50 31.44 1ipa n PRO 189 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ipa s LEU 190 N -1.00 1.97 -0.23 1.53 2.96 -1.26 -1.22 118.68 121.43 1ipa s LEU 190 Ca 0.56 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1ipa s LEU 190 Cb -0.57 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1ipa s LEU 190 CO 0.62 0.15 -0.08 -0.69 -1.32 0.00 0.00 176.35 175.03 1ipa s VAL 191 N 0.26 2.91 -0.14 1.68 1.01 -0.18 -0.21 120.40 125.73 1ipa s VAL 191 Ca -0.13 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1ipa s VAL 191 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1ipa s VAL 191 CO 0.06 0.33 0.13 0.00 0.00 0.00 0.00 175.10 175.62 1ipa s ALA 192 N 1.37 3.79 -0.17 5.51 0.00 -0.13 -1.62 121.76 130.52 1ipa s ALA 192 Ca 0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1ipa s ALA 192 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1ipa s ALA 192 CO -0.06 0.52 0.33 0.99 0.00 0.00 0.00 175.76 177.54 1ipa s THR 193 N -0.71 5.27 -0.09 0.00 2.01 -0.98 -0.17 115.64 120.97 1ipa s THR 193 Ca 0.13 0.62 -0.15 0.00 0.31 0.00 0.00 61.69 62.60 1ipa s THR 193 Cb -0.12 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1ipa s THR 193 CO 0.03 0.35 0.38 0.42 -0.69 0.00 0.00 174.62 175.11 1ipa s THR 194 N 0.67 0.02 -0.03 -0.82 -4.23 0.34 -4.53 115.64 107.06 1ipa s THR 194 Ca 0.18 -0.19 0.31 0.00 -1.18 0.00 0.00 61.69 60.81 1ipa s THR 194 Cb -0.14 -0.61 0.36 0.00 1.34 0.00 0.00 72.50 73.45 1ipa s THR 194 CO 0.05 -0.10 1.92 1.55 -0.54 0.00 0.00 174.62 177.50 1ipa h PRO 195 N 4.68 0.00 -0.70 3.99 0.13 -1.95 -3.05 132.00 135.10 1ipa h PRO 195 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ipa h PRO 195 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ipa h PRO 195 CO 0.32 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.70 1ipa n HIS 196 N -2.90 1.29 -2.59 1.56 1.44 -1.26 -4.95 115.22 107.81 1ipa n HIS 196 Ca 0.01 -0.56 -0.35 0.00 -2.01 0.00 0.00 57.72 54.81 1ipa n HIS 196 Cb 0.29 -0.14 -0.04 0.00 0.12 0.00 0.00 29.99 30.22 1ipa n HIS 196 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ipa s ALA 197 N -1.49 3.01 0.03 1.59 0.00 -1.15 -4.97 121.76 118.78 1ipa s ALA 197 Ca 0.51 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1ipa s ALA 197 Cb 0.30 -3.25 -0.33 0.00 0.00 0.00 0.00 23.12 19.84 1ipa s ALA 197 CO 0.29 -0.18 0.99 1.49 0.00 0.00 0.00 175.76 178.35 1ipa h GLU 198 N 2.12 0.46 -6.69 0.00 4.81 -1.92 -3.42 114.58 109.94 1ipa h GLU 198 Ca -0.49 -0.78 -0.50 0.00 -0.13 0.00 0.00 59.36 57.46 1ipa h GLU 198 Cb 1.21 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 1ipa h GLU 198 CO 0.61 1.37 0.38 0.00 -0.73 0.00 0.00 179.01 180.64 1ipa s ALA 199 N -2.61 3.32 0.49 2.92 0.00 -1.26 -4.96 121.76 119.66 1ipa s ALA 199 Ca -0.08 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 1ipa s ALA 199 Cb 0.05 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 1ipa s ALA 199 CO 0.92 0.05 0.99 -0.51 0.00 0.00 0.00 175.76 177.21 1ipa s LEU 200 N -0.75 3.77 0.56 0.00 1.43 -1.26 -1.40 118.68 121.03 1ipa s LEU 200 Ca 0.44 1.71 0.24 0.00 -1.03 0.00 0.00 54.13 55.48 1ipa s LEU 200 Cb -0.26 -4.53 1.57 0.00 0.03 0.00 0.00 46.19 43.00 1ipa s LEU 200 CO 0.33 -0.60 2.21 0.10 0.23 0.00 0.00 176.35 178.62 1ipa h TYR 201 N 1.36 0.00 0.00 0.29 -0.00 -1.40 -1.64 116.97 115.59 1ipa h TYR 201 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.24 1ipa h TYR 201 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.92 1ipa h TYR 201 CO 0.61 0.00 -0.03 -1.49 -0.00 0.00 0.00 178.16 177.26 1ipa h TRP 202 N 0.00 0.00 0.00 0.10 6.55 -1.92 -2.83 115.95 117.84 1ipa h TRP 202 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1ipa h TRP 202 Cb 0.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 1ipa h TRP 202 CO 0.00 0.03 -0.48 0.93 -1.05 0.00 0.00 178.44 177.87 1ipa h GLU 203 N 0.00 0.00 -7.25 0.49 5.08 -1.67 -3.47 114.58 107.76 1ipa h GLU 203 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1ipa h GLU 203 Cb 0.35 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.69 1ipa h GLU 203 CO 0.00 0.00 0.36 0.00 -1.00 0.00 0.00 179.01 178.38 1ipa s ALA 204 N -3.16 2.56 -0.52 3.43 0.00 -1.07 -4.99 121.76 118.00 1ipa s ALA 204 Ca 0.07 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 1ipa s ALA 204 Cb 0.13 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 20.09 1ipa s ALA 204 CO 0.69 -1.21 0.51 1.21 0.00 0.00 0.00 175.76 176.96 1ipa s ASN 205 N -3.07 6.18 -0.50 0.00 3.04 -1.26 -4.96 114.94 114.37 1ipa s ASN 205 Ca 0.63 -1.49 -0.02 0.00 0.04 0.00 0.00 52.86 52.02 1ipa s ASN 205 Cb -0.17 -2.22 0.30 0.00 -1.54 0.00 0.00 41.25 37.62 1ipa s ASN 205 CO 0.46 -0.83 2.10 0.18 -3.04 0.00 0.00 177.10 175.97 1ipa n LEU 206 N 5.49 7.04 -4.66 3.21 4.77 -1.26 -4.99 117.00 126.60 1ipa n LEU 206 Ca -0.12 -3.86 -0.46 0.00 -0.03 0.00 0.00 56.01 51.53 1ipa n LEU 206 Cb 0.42 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1ipa n LEU 206 CO 0.52 1.41 1.14 -1.14 -1.33 0.00 0.00 177.39 177.99 1ipa n ARG 207 N -0.16 2.06 0.00 3.23 0.63 -1.26 -4.81 116.66 116.34 1ipa n ARG 207 Ca 0.46 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 58.13 1ipa n ARG 207 Cb 0.59 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 31.01 1ipa n ARG 207 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ipa n PRO 208 N 3.13 0.00 -2.88 -0.14 -0.02 -1.26 -3.74 135.00 130.09 1ipa n PRO 208 Ca 0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 1ipa n PRO 208 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.73 1ipa n PRO 208 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ipa s PRO 209 N -2.38 3.12 -0.07 0.52 0.02 -1.24 -2.53 135.00 132.44 1ipa s PRO 209 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 61.00 59.81 1ipa s PRO 209 Cb 0.00 -4.26 0.09 0.00 0.02 0.00 0.00 34.50 30.36 1ipa s PRO 209 CO 0.00 -1.79 0.81 0.54 -0.33 0.00 0.00 177.00 176.22 1ipa s VAL 210 N 3.90 0.00 -0.07 3.83 0.11 -0.15 -4.50 120.40 123.53 1ipa s VAL 210 Ca 0.22 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.32 1ipa s VAL 210 Cb -0.17 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1ipa s VAL 210 CO 0.09 0.00 -0.23 0.00 -3.33 0.00 0.00 175.10 171.63 1ipa s ALA 211 N -1.48 2.26 -0.17 1.54 0.00 -0.36 -1.33 121.76 122.22 1ipa s ALA 211 Ca -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1ipa s ALA 211 Cb -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1ipa s ALA 211 CO 0.04 0.40 -0.19 0.42 0.00 0.00 0.00 175.76 176.44 1ipa s ILE 212 N -0.13 1.93 -0.00 0.00 1.01 0.19 -1.02 121.20 123.19 1ipa s ILE 212 Ca -0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1ipa s ILE 212 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1ipa s ILE 212 CO 0.04 0.52 0.23 0.00 0.00 0.00 0.00 174.94 175.73 1ipa s ALA 213 N 1.33 3.89 -0.01 9.38 0.00 -0.64 0.17 121.76 135.88 1ipa s ALA 213 Ca 0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ipa s ALA 213 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1ipa s ALA 213 CO -0.12 0.68 0.01 0.08 0.00 0.00 0.00 175.76 176.42 1ipa s VAL 214 N -1.30 -0.00 0.00 0.00 1.01 -0.35 -2.31 120.40 117.45 1ipa s VAL 214 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1ipa s VAL 214 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1ipa s VAL 214 CO 0.17 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1ipa n GLY 215 N 3.17 1.96 3.70 4.51 0.00 -1.26 -0.52 105.19 116.76 1ipa n GLY 215 Ca -0.13 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1ipa n GLY 215 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ipa s PRO 216 N -1.39 1.54 0.33 1.61 0.02 -1.06 -4.78 135.00 131.28 1ipa s PRO 216 Ca 0.00 1.53 0.15 0.00 0.02 0.00 0.00 61.00 62.70 1ipa s PRO 216 Cb 0.00 -1.79 0.53 0.00 0.02 0.00 0.00 34.50 33.27 1ipa s PRO 216 CO 0.00 -2.24 1.68 1.05 -0.33 0.00 0.00 177.00 177.16 1ipa h GLU 217 N -1.34 0.00 -0.65 5.54 4.11 -1.93 -2.92 114.58 117.39 1ipa h GLU 217 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ipa h GLU 217 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ipa h GLU 217 CO 0.45 0.48 0.01 0.72 0.07 0.00 0.00 179.01 180.74 1ipa n HIS 218 N -3.64 1.78 -3.49 2.06 8.25 -1.26 -4.76 115.22 114.16 1ipa n HIS 218 Ca -0.01 -0.62 -0.12 0.00 -0.26 0.00 0.00 57.72 56.71 1ipa n HIS 218 Cb 0.56 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1ipa n HIS 218 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1ipa s GLU 219 N -2.50 0.98 0.71 -0.41 2.12 -1.10 -5.18 118.70 113.32 1ipa s GLU 219 Ca 0.46 -0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.63 1ipa s GLU 219 Cb 0.35 0.45 0.12 0.00 0.26 0.00 0.00 34.13 35.32 1ipa s GLU 219 CO 0.13 -0.38 0.98 0.20 -0.54 0.00 0.00 175.26 175.65 1ipa s GLY 220 N -2.05 1.76 0.23 -1.50 0.00 -1.26 -3.72 107.32 100.78 1ipa s GLY 220 Ca -0.01 -1.66 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 1ipa s GLY 220 CO -0.04 -1.12 0.91 1.08 0.00 0.00 0.00 173.10 173.93 1ipa s LEU 221 N -5.13 4.62 1.04 0.66 1.43 -1.26 -4.73 118.68 115.30 1ipa s LEU 221 Ca 0.66 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 1ipa s LEU 221 Cb -0.06 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.79 1ipa s LEU 221 CO 0.44 0.15 1.09 -0.13 0.23 0.00 0.00 176.35 178.14 1ipa s ARG 222 N -1.24 0.07 0.31 1.70 0.52 -1.26 -4.79 118.95 114.26 1ipa s ARG 222 Ca 0.41 1.26 0.02 0.00 -0.52 0.00 0.00 55.73 56.90 1ipa s ARG 222 Cb -0.25 -1.64 0.59 0.00 0.52 0.00 0.00 34.95 34.17 1ipa s ARG 222 CO 0.30 -3.19 1.90 0.00 0.02 0.00 0.00 175.30 174.33 1ipa h ALA 223 N -2.26 1.57 -0.77 2.13 0.00 -1.99 -2.16 119.26 115.78 1ipa h ALA 223 Ca -0.52 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1ipa h ALA 223 Cb 1.30 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1ipa h ALA 223 CO 0.45 0.26 0.15 0.00 0.00 0.00 0.00 179.25 180.11 1ipa h ALA 224 N 1.53 0.98 -0.13 0.00 0.00 -2.00 0.38 119.26 120.03 1ipa h ALA 224 Ca 0.41 0.19 -0.16 0.00 0.00 0.00 0.00 54.91 55.35 1ipa h ALA 224 Cb 0.32 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ipa h ALA 224 CO -0.17 -0.38 -0.61 -1.49 0.00 0.00 0.00 179.25 176.60 1ipa h TRP 225 N 0.22 0.56 -0.04 0.00 4.06 -1.73 -2.87 115.95 116.15 1ipa h TRP 225 Ca 0.44 -0.21 -0.14 0.00 2.06 0.00 0.00 58.89 61.03 1ipa h TRP 225 Cb 0.79 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 1ipa h TRP 225 CO -0.29 0.93 -0.63 -0.07 -3.56 0.00 0.00 178.44 174.81 1ipa h LEU 226 N 0.32 0.17 -0.15 -4.49 3.38 -0.96 -2.59 115.31 110.99 1ipa h LEU 226 Ca -0.01 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1ipa h LEU 226 Cb 1.15 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1ipa h LEU 226 CO 0.11 0.75 -0.60 -0.33 0.09 0.00 0.00 178.44 178.46 1ipa h GLU 227 N 0.10 0.00 0.00 1.13 5.08 -1.03 -3.24 114.58 116.62 1ipa h GLU 227 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ipa h GLU 227 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ipa h GLU 227 CO 0.09 0.60 -0.39 0.00 -1.00 0.00 0.00 179.01 178.31 1ipa h ALA 228 N 1.40 0.79 -2.59 3.43 0.00 -1.40 -3.47 119.26 117.42 1ipa h ALA 228 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1ipa h ALA 228 Cb 1.39 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1ipa h ALA 228 CO 0.08 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.75 1ipa s ALA 229 N -3.24 3.19 -0.17 0.00 0.00 -0.99 -4.77 121.76 115.79 1ipa s ALA 229 Ca 0.05 0.74 0.15 0.00 0.00 0.00 0.00 51.96 52.91 1ipa s ALA 229 Cb 0.09 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.99 1ipa s ALA 229 CO 0.70 -0.16 1.44 1.96 0.00 0.00 0.00 175.76 179.70 1ipa h GLN 230 N 2.94 0.00 -3.09 0.00 7.50 -0.94 -3.46 115.11 118.06 1ipa h GLN 230 Ca -0.48 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 58.52 1ipa h GLN 230 Cb 1.21 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 28.50 1ipa h GLN 230 CO 0.64 0.48 -0.38 0.99 -1.50 0.00 0.00 178.83 179.06 1ipa s THR 231 N -2.97 0.02 -0.07 -0.54 2.01 -1.11 -5.05 115.64 107.93 1ipa s THR 231 Ca 0.04 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1ipa s THR 231 Cb 0.07 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1ipa s THR 231 CO 0.74 -0.07 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.33 1ipa s GLN 232 N -0.21 2.70 0.07 4.92 -0.21 -1.26 -0.96 119.66 124.70 1ipa s GLN 232 Ca -0.03 -0.75 -0.04 0.00 0.02 0.00 0.00 55.36 54.56 1ipa s GLN 232 Cb -0.03 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1ipa s GLN 232 CO 0.01 0.47 0.05 0.54 -2.12 0.00 0.00 175.29 174.24 1ipa s VAL 233 N -0.35 0.19 0.10 1.09 0.11 0.75 -4.40 120.40 117.89 1ipa s VAL 233 Ca 0.03 -1.61 0.04 0.00 -2.93 0.00 0.00 61.98 57.51 1ipa s VAL 233 Cb -0.12 -1.49 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 1ipa s VAL 233 CO 0.02 -0.86 -0.10 0.00 -3.33 0.00 0.00 175.10 170.83 1ipa s ARG 234 N -3.91 0.86 -0.41 1.54 1.70 -0.49 -0.50 118.95 117.73 1ipa s ARG 234 Ca 0.07 -1.17 -0.14 0.00 -0.47 0.00 0.00 55.73 54.02 1ipa s ARG 234 Cb 0.07 -0.54 0.04 0.00 -0.57 0.00 0.00 34.95 33.94 1ipa s ARG 234 CO -0.10 0.08 0.29 0.42 -1.08 0.00 0.00 175.30 174.92 1ipa s ILE 235 N -2.49 5.04 0.31 4.99 1.01 -1.26 -0.99 121.20 127.81 1ipa s ILE 235 Ca 0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1ipa s ILE 235 Cb -0.03 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 1ipa s ILE 235 CO 0.00 -0.36 1.43 -0.81 0.00 0.00 0.00 174.94 175.20 1ipa n PRO 236 N 5.12 2.32 -3.94 2.79 -0.04 -1.26 -4.99 135.00 135.00 1ipa n PRO 236 Ca -0.11 0.82 -0.35 0.00 -0.04 0.00 0.00 63.50 63.82 1ipa n PRO 236 Cb 0.46 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.28 1ipa n PRO 236 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1ipa s MET 237 N -1.18 3.25 0.00 0.54 -1.94 -1.26 -5.02 119.30 113.69 1ipa s MET 237 Ca 0.61 -0.70 0.24 0.00 -1.71 0.00 0.00 55.69 54.13 1ipa s MET 237 Cb -0.56 -2.95 0.33 0.00 2.01 0.00 0.00 34.83 33.66 1ipa s MET 237 CO 0.56 -0.23 1.30 1.04 -0.01 0.00 0.00 175.02 177.68 1ipa n GLN 238 N 4.76 1.14 0.00 2.03 1.13 -1.26 -5.01 117.38 120.16 1ipa n GLN 238 Ca -0.18 -0.85 0.00 0.00 -1.94 0.00 0.00 57.00 54.03 1ipa n GLN 238 Cb 0.50 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1ipa n GLN 238 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ipa n GLY 239 N 1.38 4.45 0.14 1.08 0.00 -1.26 -5.06 105.19 105.91 1ipa n GLY 239 Ca 0.11 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1ipa n GLY 239 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ipa h GLN 240 N 0.00 0.41 -6.50 1.61 1.08 -2.03 -3.47 115.11 106.22 1ipa h GLN 240 Ca 0.00 -0.71 -0.61 0.00 -1.45 0.00 0.00 58.65 55.89 1ipa h GLN 240 Cb 0.00 0.26 0.10 0.00 -0.05 0.00 0.00 27.48 27.79 1ipa h GLN 240 CO 0.00 1.32 0.30 0.00 -0.95 0.00 0.00 178.83 179.50 1ipa n ALA 241 N -2.75 0.10 0.88 3.87 0.00 -1.26 -4.88 120.51 116.47 1ipa n ALA 241 Ca -0.19 0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.76 1ipa n ALA 241 Cb 1.08 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 1ipa n ALA 241 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ipa n ASP 242 N 1.50 0.83 -3.35 0.00 5.75 -1.26 -4.89 116.55 115.13 1ipa n ASP 242 Ca 0.10 -0.78 -0.05 0.00 -0.01 0.00 0.00 54.79 54.06 1ipa n ASP 242 Cb 0.31 1.00 0.01 0.00 -1.03 0.00 0.00 41.12 41.41 1ipa n ASP 242 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ipa s SER 243 N -3.20 -0.05 0.14 -1.12 1.04 -1.26 -5.08 113.70 104.17 1ipa s SER 243 Ca 0.07 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.79 1ipa s SER 243 Cb 0.16 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 1ipa s SER 243 CO 0.85 -1.20 -0.12 -0.76 0.98 0.00 0.00 173.24 172.99 1ipa s LEU 244 N -3.19 2.49 0.56 2.42 1.43 -1.26 -5.12 118.68 116.01 1ipa s LEU 244 Ca 0.17 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 52.13 1ipa s LEU 244 Cb -0.03 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 1ipa s LEU 244 CO 0.07 -0.24 1.31 -3.20 0.23 0.00 0.00 176.35 174.51 1ipa n ASN 245 N 0.06 2.41 0.15 2.29 2.85 -1.26 -4.70 115.26 117.06 1ipa n ASN 245 Ca -0.12 0.95 0.04 0.00 -0.11 0.00 0.00 54.58 55.34 1ipa n ASN 245 Cb 0.59 -1.55 0.46 0.00 1.24 0.00 0.00 39.78 40.52 1ipa n ASN 245 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1ipa h VAL 246 N 1.24 1.13 -0.12 3.44 -1.51 -1.96 -2.02 116.25 116.45 1ipa h VAL 246 Ca -0.50 -0.55 -0.09 0.00 -1.23 0.00 0.00 66.70 64.32 1ipa h VAL 246 Cb 1.31 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1ipa h VAL 246 CO 0.56 0.17 -0.34 0.77 -1.23 0.00 0.00 177.57 177.51 1ipa h SER 247 N 0.18 0.25 -0.14 4.19 4.64 -1.89 -0.18 113.55 120.60 1ipa h SER 247 Ca 0.04 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1ipa h SER 247 Cb 0.25 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ipa h SER 247 CO 0.01 0.58 -0.48 0.58 -0.87 0.00 0.00 176.83 176.65 1ipa h VAL 248 N 0.22 1.35 -0.80 0.95 2.07 -1.74 -2.56 116.25 115.72 1ipa h VAL 248 Ca 0.03 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 1ipa h VAL 248 Cb 0.70 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1ipa h VAL 248 CO 0.05 0.54 0.33 0.28 0.02 0.00 0.00 177.57 178.78 1ipa h SER 249 N 0.21 1.10 -0.33 0.57 0.02 -1.16 -1.88 113.55 112.07 1ipa h SER 249 Ca -0.02 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1ipa h SER 249 Cb 1.10 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1ipa h SER 249 CO 0.10 0.97 0.02 0.00 -1.14 0.00 0.00 176.83 176.78 1ipa h ALA 250 N 1.17 1.24 -0.19 3.77 0.00 -1.05 -1.82 119.26 122.39 1ipa h ALA 250 Ca 0.27 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ipa h ALA 250 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ipa h ALA 250 CO -0.02 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 1ipa h ALA 251 N 1.38 0.26 0.31 0.00 0.00 -1.06 -1.59 119.26 118.57 1ipa h ALA 251 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ipa h ALA 251 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ipa h ALA 251 CO 0.01 0.07 -0.37 -0.07 0.00 0.00 0.00 179.25 178.89 1ipa h LEU 252 N 0.08 -1.01 -0.53 0.00 3.38 -1.06 0.34 115.31 116.51 1ipa h LEU 252 Ca 0.04 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ipa h LEU 252 Cb 0.54 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1ipa h LEU 252 CO 0.02 -0.50 0.34 -0.07 0.09 0.00 0.00 178.44 178.33 1ipa h LEU 253 N -0.72 0.58 -0.65 1.67 3.38 -1.40 -1.88 115.31 116.28 1ipa h LEU 253 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1ipa h LEU 253 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ipa h LEU 253 CO -0.10 0.41 -0.46 -0.07 0.09 0.00 0.00 178.44 178.32 1ipa h LEU 254 N 0.69 0.55 -0.86 1.67 3.38 -1.09 -2.45 115.31 117.20 1ipa h LEU 254 Ca 0.20 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1ipa h LEU 254 Cb -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1ipa h LEU 254 CO -0.06 0.93 -0.53 1.88 0.09 0.00 0.00 178.44 180.75 1ipa h TYR 255 N 0.41 0.00 -0.01 1.13 -1.99 -0.17 -1.65 116.97 114.69 1ipa h TYR 255 Ca 0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.64 1ipa h TYR 255 Cb 0.96 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.68 1ipa h TYR 255 CO 0.04 0.53 -0.54 1.49 -0.00 0.00 0.00 178.16 179.68 1ipa h GLU 256 N 0.00 0.02 -0.28 4.88 4.57 -1.17 0.85 114.58 123.46 1ipa h GLU 256 Ca -0.01 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1ipa h GLU 256 Cb 1.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1ipa h GLU 256 CO 0.07 0.55 -0.36 0.00 -1.18 0.00 0.00 179.01 178.09 1ipa h ALA 257 N 1.44 0.42 -0.19 2.92 0.00 -1.01 -2.07 119.26 120.76 1ipa h ALA 257 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1ipa h ALA 257 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ipa h ALA 257 CO 0.07 0.49 -0.17 1.25 0.00 0.00 0.00 179.25 180.89 1ipa h LEU 258 N 0.48 0.31 -0.48 0.00 5.85 -0.96 -1.95 115.31 118.56 1ipa h LEU 258 Ca 0.03 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 1ipa h LEU 258 Cb 0.95 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1ipa h LEU 258 CO 0.09 0.51 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.20 1ipa h ARG 259 N 0.30 0.80 -0.13 1.25 2.43 -0.62 -2.60 114.38 115.81 1ipa h ARG 259 Ca 0.06 -0.43 -0.13 0.00 -0.81 0.00 0.00 59.98 58.67 1ipa h ARG 259 Cb 0.49 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1ipa h ARG 259 CO 0.03 1.06 -0.49 1.96 -1.51 0.00 0.00 179.97 181.02 1ipa h GLN 260 N 0.65 0.35 -0.51 0.20 4.20 -1.07 -3.07 115.11 115.86 1ipa h GLN 260 Ca 0.05 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1ipa h GLN 260 Cb 0.98 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1ipa h GLN 260 CO 0.09 0.76 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.82 1ipa h ARG 261 N 0.28 0.94 0.00 1.46 9.65 -1.27 -2.31 114.38 123.13 1ipa h ARG 261 Ca 0.01 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1ipa h ARG 261 Cb 0.96 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1ipa h ARG 261 CO 0.08 0.99 0.00 1.28 2.80 0.00 0.00 179.97 185.12 1ipa n LEU 262 N -4.15 0.00 -0.89 3.80 4.77 -0.99 -5.11 117.00 114.43 1ipa n LEU 262 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1ipa n LEU 262 Cb 0.39 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.64 1ipa n LEU 262 CO 0.44 0.00 0.67 0.18 -1.33 0.00 0.00 177.39 177.35