#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipa n ASP 2 N 0.00 3.05 -4.58 6.12 9.92 -1.26 -4.68 116.55 125.11 3ipa n ASP 2 Ca 0.00 1.10 -0.42 0.00 -0.53 0.00 0.00 54.79 54.94 3ipa n ASP 2 Cb 0.00 -1.57 -0.05 0.00 -0.64 0.00 0.00 41.12 38.86 3ipa n ASP 2 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3ipa s VAL 3 N -1.20 4.73 -0.33 2.53 1.01 0.47 -4.87 120.40 122.74 3ipa s VAL 3 Ca 0.62 0.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 3ipa s VAL 3 Cb -0.46 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.71 3ipa s VAL 3 CO 0.57 -0.45 0.84 -0.69 0.00 0.00 0.00 175.10 175.37 3ipa s VAL 4 N 3.11 4.72 -0.11 2.92 1.01 -1.26 -0.87 120.40 129.92 3ipa s VAL 4 Ca 0.31 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.48 3ipa s VAL 4 Cb -0.13 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3ipa s VAL 4 CO 0.17 -0.36 -0.19 -0.63 0.00 0.00 0.00 175.10 174.09 3ipa s ILE 5 N 3.14 1.74 0.01 2.22 1.01 -0.33 -1.11 121.20 127.89 3ipa s ILE 5 Ca 0.34 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3ipa s ILE 5 Cb -0.13 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3ipa s ILE 5 CO 0.15 0.49 0.18 0.00 0.00 0.00 0.00 174.94 175.75 3ipa s ALA 6 N 0.69 3.92 -0.35 9.38 0.00 0.60 -1.91 121.76 134.09 3ipa s ALA 6 Ca -0.12 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 3ipa s ALA 6 Cb -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.15 3ipa s ALA 6 CO 0.03 0.77 0.18 0.08 0.00 0.00 0.00 175.76 176.81 3ipa s VAL 7 N -1.37 4.56 -0.31 0.00 1.01 0.08 -0.46 120.40 123.91 3ipa s VAL 7 Ca 0.29 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3ipa s VAL 7 Cb -0.13 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3ipa s VAL 7 CO 0.21 -0.12 0.18 -0.83 0.00 0.00 0.00 175.10 174.55 3ipa s GLY 8 N 1.57 1.90 0.15 4.51 0.00 -0.75 -1.07 107.32 113.64 3ipa s GLY 8 Ca 0.03 -1.34 -0.24 0.00 0.00 0.00 0.00 44.72 43.17 3ipa s GLY 8 CO 0.06 0.71 0.77 0.00 0.00 0.00 0.00 173.10 174.64 3ipa s ALA 9 N 1.67 -1.56 -1.18 3.20 0.00 -0.80 -3.93 121.76 119.16 3ipa s ALA 9 Ca 0.05 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 3ipa s ALA 9 Cb -0.17 0.73 0.07 0.00 0.00 0.00 0.00 23.12 23.74 3ipa s ALA 9 CO 0.08 -0.88 1.61 -1.25 0.00 0.00 0.00 175.76 175.32 3ipa s PRO 10 N -3.57 3.83 0.33 0.00 0.04 -1.26 -0.87 135.00 133.51 3ipa s PRO 10 Ca 0.07 -1.67 0.18 0.00 0.04 0.00 0.00 61.00 59.62 3ipa s PRO 10 Cb -0.02 -5.45 0.39 0.00 0.04 0.00 0.00 34.50 29.46 3ipa s PRO 10 CO -0.04 -2.22 1.59 -0.07 0.04 0.00 0.00 177.00 176.30 3ipa h LEU 11 N 12.55 0.00 -9.45 -3.56 3.38 -1.86 -3.14 115.31 113.23 3ipa h LEU 11 Ca 0.34 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.76 3ipa h LEU 11 Cb 0.93 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 3ipa h LEU 11 CO 1.44 0.42 -0.52 0.42 0.09 0.00 0.00 178.44 180.28 3ipa s THR 12 N -3.26 0.67 0.00 0.22 -4.23 -1.26 -4.71 115.64 103.07 3ipa s THR 12 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3ipa s THR 12 Cb 0.09 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3ipa s THR 12 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 3ipa n GLY 13 N -0.91 -2.35 0.28 3.99 0.00 -1.26 -4.20 105.19 100.74 3ipa n GLY 13 Ca -0.06 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.26 3ipa n GLY 13 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ipa h PRO 14 N 0.00 0.00 -0.57 1.61 0.11 -1.95 -2.20 132.00 128.99 3ipa h PRO 14 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 3ipa h PRO 14 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 3ipa h PRO 14 CO 0.00 0.00 0.18 0.09 -0.21 0.00 0.00 178.00 178.06 3ipa n ASN 15 N -4.13 3.85 -0.25 -2.05 3.02 -1.26 -4.65 115.26 109.78 3ipa n ASN 15 Ca -0.03 -3.39 0.18 0.00 -0.03 0.00 0.00 54.58 51.31 3ipa n ASN 15 Cb 0.09 -0.69 0.48 0.00 -0.61 0.00 0.00 39.78 39.05 3ipa n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ipa h ALA 16 N 1.79 2.12 -0.46 5.41 0.00 -1.44 -0.29 119.26 126.39 3ipa h ALA 16 Ca 0.25 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ipa h ALA 16 Cb 2.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 3ipa h ALA 16 CO 0.59 -0.40 0.05 0.00 0.00 0.00 0.00 179.25 179.49 3ipa h ALA 17 N 1.61 1.23 -0.04 0.00 0.00 -1.82 0.10 119.26 120.34 3ipa h ALA 17 Ca 0.47 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 3ipa h ALA 17 Cb 1.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ipa h ALA 17 CO -0.20 0.52 -0.79 0.74 0.00 0.00 0.00 179.25 179.52 3ipa h PHE 18 N 0.69 0.44 -0.94 0.00 0.04 -1.39 -2.05 116.94 113.73 3ipa h PHE 18 Ca 0.14 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 60.74 3ipa h PHE 18 Cb 0.35 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 3ipa h PHE 18 CO 0.02 0.98 0.61 0.78 -0.60 0.00 0.00 178.31 180.10 3ipa h GLY 19 N 1.47 1.37 0.99 -1.45 0.00 -0.48 -1.28 103.07 103.69 3ipa h GLY 19 Ca -0.04 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 3ipa h GLY 19 CO 0.13 0.41 -0.07 0.00 0.00 0.00 0.00 176.54 177.00 3ipa h ALA 20 N 1.38 0.58 -0.28 3.60 0.00 -0.85 0.83 119.26 124.53 3ipa h ALA 20 Ca 0.37 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ipa h ALA 20 Cb -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3ipa h ALA 20 CO -0.12 0.43 -0.14 1.96 0.00 0.00 0.00 179.25 181.38 3ipa h GLN 21 N 0.62 -0.10 -0.22 0.00 4.20 -0.95 0.13 115.11 118.79 3ipa h GLN 21 Ca 0.11 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3ipa h GLN 21 Cb 0.59 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3ipa h GLN 21 CO 0.04 -0.07 -0.01 0.82 -0.67 0.00 0.00 178.83 178.94 3ipa h ILE 22 N -0.11 1.26 0.00 2.54 2.04 -1.05 -1.79 117.51 120.40 3ipa h ILE 22 Ca 0.15 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3ipa h ILE 22 Cb 0.33 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3ipa h ILE 22 CO -0.34 0.28 -0.00 -0.61 0.00 0.00 0.00 178.15 177.48 3ipa h GLN 23 N 0.15 -0.00 -0.74 2.37 4.15 -0.68 -1.61 115.11 118.75 3ipa h GLN 23 Ca 0.06 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 3ipa h GLN 23 Cb 0.42 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 3ipa h GLN 23 CO 0.01 0.07 0.27 0.87 -1.93 0.00 0.00 178.83 178.13 3ipa h LYS 24 N -0.07 1.12 -0.27 1.69 1.79 -0.73 -0.24 116.57 119.86 3ipa h LYS 24 Ca -0.00 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 3ipa h LYS 24 Cb 0.07 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 3ipa h LYS 24 CO 0.00 0.93 0.05 0.78 -1.08 0.00 0.00 179.45 180.13 3ipa h GLY 25 N 1.12 0.48 1.10 3.86 0.00 -1.22 -1.74 103.07 106.67 3ipa h GLY 25 Ca 0.25 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 3ipa h GLY 25 CO -0.02 0.29 -0.44 0.00 0.00 0.00 0.00 176.54 176.38 3ipa h ALA 26 N 0.88 0.49 -0.51 3.60 0.00 -1.08 -2.29 119.26 120.34 3ipa h ALA 26 Ca 0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3ipa h ALA 26 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ipa h ALA 26 CO 0.00 0.63 0.24 0.93 0.00 0.00 0.00 179.25 181.05 3ipa h GLU 27 N 0.66 0.74 -0.58 0.00 5.08 -1.01 -0.85 114.58 118.62 3ipa h GLU 27 Ca 0.04 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3ipa h GLU 27 Cb 1.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3ipa h GLU 27 CO 0.10 0.62 0.01 0.37 -1.00 0.00 0.00 179.01 179.11 3ipa h GLN 28 N 0.68 1.01 -0.69 2.33 5.75 -1.30 -1.33 115.11 121.56 3ipa h GLN 28 Ca 0.17 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 3ipa h GLN 28 Cb 0.13 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3ipa h GLN 28 CO -0.02 0.99 0.32 0.00 -2.65 0.00 0.00 178.83 177.47 3ipa h ALA 29 N 1.07 0.89 -0.59 3.38 0.00 -1.18 -0.35 119.26 122.47 3ipa h ALA 29 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ipa h ALA 29 Cb 0.53 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ipa h ALA 29 CO 0.03 0.46 0.34 0.00 0.00 0.00 0.00 179.25 180.07 3ipa h ALA 30 N 1.15 0.75 -0.17 0.00 0.00 -0.83 0.12 119.26 120.28 3ipa h ALA 30 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ipa h ALA 30 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ipa h ALA 30 CO -0.03 0.26 0.11 0.87 0.00 0.00 0.00 179.25 180.46 3ipa h LYS 31 N 0.80 0.22 -0.53 0.00 1.57 -0.93 0.29 116.57 117.99 3ipa h LYS 31 Ca 0.21 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3ipa h LYS 31 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3ipa h LYS 31 CO -0.04 0.16 0.17 -0.44 -0.57 0.00 0.00 179.45 178.74 3ipa h ASP 32 N 0.22 0.77 -0.47 0.86 3.32 -0.70 -0.53 116.42 119.89 3ipa h ASP 32 Ca 0.06 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 3ipa h ASP 32 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3ipa h ASP 32 CO -0.01 0.77 -0.06 0.40 -1.72 0.00 0.00 179.24 178.61 3ipa h ILE 33 N 0.74 1.27 -0.84 0.35 2.04 -0.66 -2.62 117.51 117.79 3ipa h ILE 33 Ca 0.17 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3ipa h ILE 33 Cb 0.27 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3ipa h ILE 33 CO -0.01 0.40 0.52 0.78 0.00 0.00 0.00 178.15 179.84 3ipa h ASN 34 N 0.71 1.00 0.61 1.72 2.35 -0.73 0.59 115.58 121.84 3ipa h ASN 34 Ca 0.12 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3ipa h ASN 34 Cb 0.60 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3ipa h ASN 34 CO 0.04 0.76 -0.09 0.00 -1.65 0.00 0.00 177.43 176.48 3ipa h ALA 35 N 1.41 1.11 -0.37 -0.83 0.00 -0.83 -2.12 119.26 117.64 3ipa h ALA 35 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ipa h ALA 35 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ipa h ALA 35 CO -0.06 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3ipa n ALA 36 N -2.19 2.44 0.00 0.00 0.00 -0.71 -4.90 120.51 115.16 3ipa n ALA 36 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3ipa n ALA 36 Cb 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3ipa n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipa n GLY 37 N 1.39 0.93 6.33 0.00 0.00 -0.80 -5.04 105.19 108.00 3ipa n GLY 37 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ipa n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipa n GLY 38 N -0.31 -1.69 3.50 -0.02 0.00 0.12 -3.58 105.19 103.21 3ipa n GLY 38 Ca 0.00 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3ipa n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ipa s ILE 39 N 0.00 5.05 -1.60 -0.61 1.01 0.73 -4.39 121.20 121.39 3ipa s ILE 39 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 3ipa s ILE 39 Cb 0.00 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 39.01 3ipa s ILE 39 CO 0.00 0.03 0.84 0.59 0.00 0.00 0.00 174.94 176.40 3ipa n ASN 40 N 5.06 -3.66 0.00 3.58 3.02 -1.26 -1.30 115.26 120.70 3ipa n ASN 40 Ca -0.13 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3ipa n ASN 40 Cb 0.50 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 3ipa n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ipa n GLY 41 N -1.57 1.28 3.54 7.41 0.00 -1.23 -5.03 105.19 109.59 3ipa n GLY 41 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3ipa n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ipa s GLU 42 N -0.31 3.09 0.41 1.61 2.02 -0.42 -4.86 118.70 120.23 3ipa s GLU 42 Ca 0.00 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 3ipa s GLU 42 Cb 0.00 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 3ipa s GLU 42 CO 0.00 0.50 1.19 -0.65 0.02 0.00 0.00 175.26 176.33 3ipa s GLN 43 N -0.36 4.01 0.11 1.61 -1.52 -1.26 -0.19 119.66 122.05 3ipa s GLN 43 Ca 0.05 1.90 -0.27 0.00 -1.95 0.00 0.00 55.36 55.09 3ipa s GLN 43 Cb -0.12 -2.67 -0.06 0.00 -0.22 0.00 0.00 33.01 29.93 3ipa s GLN 43 CO 0.02 -0.38 0.83 0.42 -0.25 0.00 0.00 175.29 175.94 3ipa s ILE 44 N -1.39 4.52 -0.19 1.08 1.01 -1.26 -0.39 121.20 124.57 3ipa s ILE 44 Ca 0.58 1.80 -0.01 0.00 0.00 0.00 0.00 60.65 63.01 3ipa s ILE 44 Cb -0.32 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 37.96 3ipa s ILE 44 CO 0.40 0.41 -0.13 -0.75 0.00 0.00 0.00 174.94 174.87 3ipa s LYS 45 N -0.42 3.18 -0.07 2.79 2.47 -0.05 -4.87 119.74 122.77 3ipa s LYS 45 Ca 0.40 -0.73 -0.18 0.00 -1.56 0.00 0.00 55.97 53.89 3ipa s LYS 45 Cb -0.22 -2.76 -0.05 0.00 -1.46 0.00 0.00 37.83 33.34 3ipa s LYS 45 CO 0.26 -0.17 0.50 0.42 0.16 0.00 0.00 175.35 176.52 3ipa s ILE 46 N 1.30 5.08 0.11 5.43 -1.09 -1.26 -1.19 121.20 129.59 3ipa s ILE 46 Ca 0.04 1.03 0.10 0.00 -2.23 0.00 0.00 60.65 59.59 3ipa s ILE 46 Cb -0.14 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3ipa s ILE 46 CO -0.07 0.39 -0.24 0.68 -1.23 0.00 0.00 174.94 174.47 3ipa s VAL 47 N 0.14 2.44 0.04 2.92 -7.23 -0.80 -4.97 120.40 112.94 3ipa s VAL 47 Ca 0.27 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 3ipa s VAL 47 Cb -0.16 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3ipa s VAL 47 CO 0.13 0.13 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.20 3ipa s LEU 48 N -1.96 3.05 -0.05 1.32 1.43 -1.26 -0.74 118.68 120.46 3ipa s LEU 48 Ca 0.15 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3ipa s LEU 48 Cb -0.10 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.36 3ipa s LEU 48 CO 0.07 0.24 0.08 -0.83 0.23 0.00 0.00 176.35 176.14 3ipa s GLY 49 N -1.70 0.10 -0.42 -3.19 0.00 -0.24 -4.93 107.32 96.95 3ipa s GLY 49 Ca 0.18 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 45.12 3ipa s GLY 49 CO 0.10 1.14 0.42 -0.35 0.00 0.00 0.00 173.10 174.40 3ipa s ASP 50 N 1.65 6.18 0.01 1.64 2.15 -1.26 -1.90 116.67 125.14 3ipa s ASP 50 Ca -0.03 -0.70 0.26 0.00 0.43 0.00 0.00 52.55 52.51 3ipa s ASP 50 Cb -0.12 -2.21 0.64 0.00 -0.30 0.00 0.00 42.92 40.92 3ipa s ASP 50 CO -0.04 -0.56 1.51 -0.90 -0.17 0.00 0.00 175.17 175.01 3ipa n ASP 51 N 5.54 0.42 -2.14 -0.34 5.68 -0.05 -4.80 116.55 120.85 3ipa n ASP 51 Ca -0.08 -0.08 -0.14 0.00 -0.50 0.00 0.00 54.79 54.00 3ipa n ASP 51 Cb 0.47 0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.53 3ipa n ASP 51 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3ipa n VAL 52 N -1.54 -0.47 -2.70 2.12 0.31 -1.26 -0.83 118.33 113.96 3ipa n VAL 52 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 3ipa n VAL 52 Cb 0.34 -1.77 -0.00 0.00 -0.91 0.00 0.00 33.84 31.50 3ipa n VAL 52 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3ipa n SER 53 N -1.48 -4.00 -4.04 4.52 7.64 -1.26 -4.80 113.62 110.20 3ipa n SER 53 Ca -0.16 0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.43 3ipa n SER 53 Cb 0.57 -3.36 -0.16 0.00 -1.01 0.00 0.00 64.21 60.26 3ipa n SER 53 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ipa s ASP 54 N -2.24 3.69 0.38 6.43 -1.08 -0.01 -4.96 116.67 118.88 3ipa s ASP 54 Ca 0.12 -1.02 0.14 0.00 -0.52 0.00 0.00 52.55 51.27 3ipa s ASP 54 Cb -0.06 -1.37 0.96 0.00 -1.46 0.00 0.00 42.92 41.00 3ipa s ASP 54 CO 0.14 -0.14 1.84 -0.65 0.52 0.00 0.00 175.17 176.88 3ipa h PRO 55 N 7.91 0.52 -0.61 4.34 0.11 -1.83 0.19 132.00 142.63 3ipa h PRO 55 Ca -0.28 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 3ipa h PRO 55 Cb 1.09 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3ipa h PRO 55 CO 0.50 0.34 0.10 0.87 -0.21 0.00 0.00 178.00 179.60 3ipa h LYS 56 N 0.53 1.00 0.00 1.05 1.57 -1.93 -1.40 116.57 117.40 3ipa h LYS 56 Ca 0.49 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 3ipa h LYS 56 Cb 1.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 3ipa h LYS 56 CO -0.23 0.94 -0.78 1.96 -0.57 0.00 0.00 179.45 180.77 3ipa h GLN 57 N 0.91 0.00 -0.83 3.15 4.20 -1.32 -2.85 115.11 118.37 3ipa h GLN 57 Ca 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3ipa h GLN 57 Cb 0.42 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3ipa h GLN 57 CO 0.01 0.78 0.48 0.78 -0.67 0.00 0.00 178.83 180.21 3ipa h GLY 58 N 2.49 1.23 1.19 3.46 0.00 -0.44 -0.73 103.07 110.27 3ipa h GLY 58 Ca -0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 3ipa h GLY 58 CO 0.10 0.51 -0.00 -2.22 0.00 0.00 0.00 176.54 174.93 3ipa h ILE 59 N 1.16 1.26 -0.45 2.60 1.08 -1.07 0.42 117.51 122.50 3ipa h ILE 59 Ca 0.30 -1.11 -0.05 0.00 -0.39 0.00 0.00 64.86 63.61 3ipa h ILE 59 Cb -0.01 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 3ipa h ILE 59 CO -0.05 0.40 0.09 0.28 -0.69 0.00 0.00 178.15 178.17 3ipa h SER 60 N 0.89 0.71 -0.32 1.72 0.02 -1.24 -1.63 113.55 113.70 3ipa h SER 60 Ca 0.16 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3ipa h SER 60 Cb 0.52 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3ipa h SER 60 CO 0.03 0.77 -0.04 0.58 -1.14 0.00 0.00 176.83 177.03 3ipa h VAL 61 N 0.61 0.73 -0.77 2.27 2.07 -0.90 -0.88 116.25 119.38 3ipa h VAL 61 Ca 0.14 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.73 3ipa h VAL 61 Cb 0.36 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 3ipa h VAL 61 CO 0.01 0.01 0.42 0.00 0.02 0.00 0.00 177.57 178.03 3ipa h ALA 62 N 1.29 1.08 -0.43 1.67 0.00 -0.61 -0.15 119.26 122.11 3ipa h ALA 62 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ipa h ALA 62 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ipa h ALA 62 CO -0.29 0.04 0.19 -0.91 0.00 0.00 0.00 179.25 178.28 3ipa h ASN 63 N 0.72 0.58 -0.72 0.00 2.35 -0.75 -1.60 115.58 116.17 3ipa h ASN 63 Ca 0.37 -0.15 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 3ipa h ASN 63 Cb 0.35 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3ipa h ASN 63 CO -0.25 0.57 0.39 0.50 -1.65 0.00 0.00 177.43 177.00 3ipa h LYS 64 N 0.56 0.68 -0.28 0.81 3.64 -0.40 -1.60 116.57 119.99 3ipa h LYS 64 Ca 0.15 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ipa h LYS 64 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ipa h LYS 64 CO -0.02 0.45 0.17 0.74 -2.27 0.00 0.00 179.45 178.53 3ipa h PHE 65 N 0.70 0.37 -0.24 1.91 0.04 -0.75 -1.27 116.94 117.71 3ipa h PHE 65 Ca 0.33 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.14 3ipa h PHE 65 Cb 0.25 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 3ipa h PHE 65 CO -0.08 0.27 -0.00 0.28 -0.60 0.00 0.00 178.31 178.18 3ipa h VAL 66 N 0.36 0.83 -0.65 -0.55 2.07 -0.87 -1.83 116.25 115.60 3ipa h VAL 66 Ca 0.10 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3ipa h VAL 66 Cb 0.01 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3ipa h VAL 66 CO -0.02 0.01 0.43 0.00 0.02 0.00 0.00 177.57 178.02 3ipa h ALA 67 N 1.20 1.62 -0.05 1.67 0.00 -1.07 -2.12 119.26 120.51 3ipa h ALA 67 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ipa h ALA 67 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ipa h ALA 67 CO -0.19 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 3ipa n ASP 68 N -4.46 0.56 -0.37 0.00 8.00 -0.50 -4.89 116.55 114.89 3ipa n ASP 68 Ca 0.08 -1.52 -0.04 0.00 0.71 0.00 0.00 54.79 54.02 3ipa n ASP 68 Cb 0.11 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3ipa n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipa n GLY 69 N 0.90 0.49 3.74 0.44 0.00 -0.80 -4.99 105.19 104.97 3ipa n GLY 69 Ca 0.15 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3ipa n GLY 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ipa n VAL 70 N -3.35 2.23 -0.03 1.61 0.31 -0.73 -4.68 118.33 113.68 3ipa n VAL 70 Ca -0.04 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.75 3ipa n VAL 70 Cb 0.30 -1.78 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 3ipa n VAL 70 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3ipa n LYS 71 N 0.29 2.76 -4.10 5.55 4.76 -0.27 -4.83 118.16 122.33 3ipa n LYS 71 Ca 0.04 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 3ipa n LYS 71 Cb 0.39 -1.18 -0.14 0.00 -1.84 0.00 0.00 35.03 32.25 3ipa n LYS 71 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3ipa s PHE 72 N -2.18 0.40 -0.15 2.13 0.08 -1.19 -2.08 117.98 114.99 3ipa s PHE 72 Ca -0.03 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 56.92 3ipa s PHE 72 Cb 0.02 -0.26 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 3ipa s PHE 72 CO 0.29 -0.02 -0.21 0.08 -0.10 0.00 0.00 175.22 175.27 3ipa s VAL 73 N -0.22 2.12 -0.36 -0.44 1.01 0.22 -0.29 120.40 122.44 3ipa s VAL 73 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 3ipa s VAL 73 Cb -0.02 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3ipa s VAL 73 CO -0.00 0.54 0.48 -0.69 0.00 0.00 0.00 175.10 175.44 3ipa s VAL 74 N 0.90 5.04 -5.00 2.92 1.01 0.40 -0.83 120.40 124.83 3ipa s VAL 74 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3ipa s VAL 74 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3ipa s VAL 74 CO -0.04 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.43 3ipa n GLY 75 N 4.88 0.52 0.00 4.51 0.00 -0.78 -1.81 105.19 112.50 3ipa n GLY 75 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3ipa n GLY 75 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ipa n HIS 76 N 0.25 0.00 -0.11 1.61 8.25 -1.25 -3.29 115.22 120.67 3ipa n HIS 76 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 3ipa n HIS 76 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 3ipa n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ipa n PHE 77 N 0.00 0.61 -2.87 4.41 7.35 -1.26 -4.04 117.46 121.66 3ipa n PHE 77 Ca 0.00 0.26 -0.40 0.00 -0.76 0.00 0.00 57.45 56.55 3ipa n PHE 77 Cb 0.00 -1.00 -0.05 0.00 0.35 0.00 0.00 39.48 38.78 3ipa n PHE 77 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3ipa s ASN 78 N -6.92 7.41 0.30 -2.13 0.01 -1.26 -3.29 114.94 109.05 3ipa s ASN 78 Ca -0.31 1.68 -0.01 0.00 -0.71 0.00 0.00 52.86 53.51 3ipa s ASN 78 Cb 0.09 -2.53 0.45 0.00 0.41 0.00 0.00 41.25 39.66 3ipa s ASN 78 CO 0.51 0.06 1.88 0.28 -1.51 0.00 0.00 177.10 178.32 3ipa h SER 79 N 5.10 0.79 0.86 -1.22 0.02 -1.92 -0.16 113.55 117.02 3ipa h SER 79 Ca -0.44 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3ipa h SER 79 Cb 1.21 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3ipa h SER 79 CO 0.70 0.71 0.00 1.23 -1.14 0.00 0.00 176.83 178.32 3ipa h GLY 80 N 0.97 0.00 0.17 -3.77 0.00 -1.97 -0.14 103.07 98.33 3ipa h GLY 80 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 3ipa h GLY 80 CO -0.02 0.00 -1.32 -2.08 0.00 0.00 0.00 176.54 173.12 3ipa h VAL 81 N 0.00 0.94 -0.55 4.60 2.07 -1.81 -3.39 116.25 118.11 3ipa h VAL 81 Ca 0.00 -2.24 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 3ipa h VAL 81 Cb 0.43 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3ipa h VAL 81 CO 0.00 0.48 0.12 0.28 0.02 0.00 0.00 177.57 178.46 3ipa h SER 82 N -0.74 0.79 0.34 0.57 0.02 -0.79 -1.85 113.55 111.90 3ipa h SER 82 Ca -0.33 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3ipa h SER 82 Cb 1.46 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ipa h SER 82 CO -0.11 0.79 -0.16 0.40 -1.14 0.00 0.00 176.83 176.60 3ipa h ILE 83 N 0.81 0.68 -0.60 3.27 2.04 -1.25 0.75 117.51 123.21 3ipa h ILE 83 Ca 0.18 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3ipa h ILE 83 Cb 0.32 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3ipa h ILE 83 CO 0.00 0.07 0.21 -0.65 0.00 0.00 0.00 178.15 177.78 3ipa h PRO 84 N -0.65 0.92 -0.86 2.37 0.11 -1.75 -2.93 132.00 129.22 3ipa h PRO 84 Ca -0.05 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 65.88 3ipa h PRO 84 Cb 0.46 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3ipa h PRO 84 CO 0.08 0.81 0.57 0.00 -0.21 0.00 0.00 178.00 179.25 3ipa h ALA 85 N 1.07 1.39 0.00 -0.75 0.00 -1.25 -2.37 119.26 117.36 3ipa h ALA 85 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ipa h ALA 85 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ipa h ALA 85 CO -0.01 0.56 -0.04 0.66 0.00 0.00 0.00 179.25 180.42 3ipa h SER 86 N 1.16 0.00 -0.26 0.00 4.64 -0.65 -1.47 113.55 116.97 3ipa h SER 86 Ca 0.32 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 3ipa h SER 86 Cb -0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3ipa h SER 86 CO -0.07 0.04 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.30 3ipa h GLU 87 N 0.00 0.66 -0.41 4.77 5.08 -1.43 0.14 114.58 123.39 3ipa h GLU 87 Ca -0.00 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3ipa h GLU 87 Cb 0.08 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3ipa h GLU 87 CO 0.00 0.97 0.18 0.28 -1.00 0.00 0.00 179.01 179.44 3ipa h VAL 88 N 0.38 0.93 -0.56 3.13 2.07 -1.32 -1.64 116.25 119.23 3ipa h VAL 88 Ca 0.04 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ipa h VAL 88 Cb 0.87 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3ipa h VAL 88 CO 0.07 0.07 0.21 1.88 0.02 0.00 0.00 177.57 179.81 3ipa h TYR 89 N 0.36 0.88 0.00 1.57 0.99 -1.17 -2.70 116.97 116.90 3ipa h TYR 89 Ca 0.18 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 3ipa h TYR 89 Cb 0.12 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.59 3ipa h TYR 89 CO -0.12 0.72 -0.20 0.00 -0.00 0.00 0.00 178.16 178.56 3ipa h ALA 90 N 1.06 1.53 -0.01 3.88 0.00 -0.42 -0.92 119.26 124.38 3ipa h ALA 90 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ipa h ALA 90 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ipa h ALA 90 CO -0.01 0.25 -0.17 0.39 0.00 0.00 0.00 179.25 179.71 3ipa n GLU 91 N -4.10 1.15 -1.59 0.00 1.02 -0.64 -4.20 120.64 112.28 3ipa n GLU 91 Ca -0.02 -0.69 0.03 0.00 -0.02 0.00 0.00 57.16 56.46 3ipa n GLU 91 Cb 0.27 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 3ipa n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ipa n ASN 92 N -0.32 1.36 -1.53 1.62 4.13 -0.74 -5.01 115.26 114.76 3ipa n ASN 92 Ca 0.14 -2.38 -0.14 0.00 1.68 0.00 0.00 54.58 53.89 3ipa n ASN 92 Cb 0.36 -0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 38.22 3ipa n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ipa n GLY 93 N 0.01 -0.12 3.27 7.41 0.00 -1.01 -4.97 105.19 109.77 3ipa n GLY 93 Ca 0.10 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3ipa n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ipa s ILE 94 N -2.67 2.54 -0.06 -0.61 1.01 -0.43 -4.68 121.20 116.30 3ipa s ILE 94 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.60 3ipa s ILE 94 Cb 0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3ipa s ILE 94 CO 0.00 0.53 0.65 -0.22 0.00 0.00 0.00 174.94 175.90 3ipa s LEU 95 N 0.58 4.33 -0.18 2.97 0.20 -0.88 -4.14 118.68 121.56 3ipa s LEU 95 Ca -0.10 1.13 -0.01 0.00 0.69 0.00 0.00 54.13 55.84 3ipa s LEU 95 Cb -0.16 -3.00 0.00 0.00 -0.43 0.00 0.00 46.19 42.60 3ipa s LEU 95 CO 0.03 -0.06 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.20 3ipa s GLU 96 N 0.57 3.20 -0.27 1.98 2.12 -0.19 -0.61 118.70 125.51 3ipa s GLU 96 Ca 0.35 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.94 3ipa s GLU 96 Cb -0.17 -2.70 0.05 0.00 0.26 0.00 0.00 34.13 31.56 3ipa s GLU 96 CO 0.17 -0.09 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.22 3ipa s ILE 97 N 1.10 2.52 0.05 -3.70 2.07 -0.01 -1.15 121.20 122.08 3ipa s ILE 97 Ca 0.00 -1.45 -0.21 0.00 -1.41 0.00 0.00 60.65 57.59 3ipa s ILE 97 Cb -0.14 -2.43 -0.06 0.00 0.13 0.00 0.00 42.46 39.96 3ipa s ILE 97 CO -0.04 -0.00 0.61 0.28 -1.91 0.00 0.00 174.94 173.87 3ipa s THR 98 N 1.19 4.77 -2.02 4.00 -1.32 -0.21 -1.87 115.64 120.17 3ipa s THR 98 Ca -0.06 1.29 0.27 0.00 -1.21 0.00 0.00 61.69 61.98 3ipa s THR 98 Cb -0.19 -3.94 0.33 0.00 -1.51 0.00 0.00 72.50 67.19 3ipa s THR 98 CO -0.04 0.49 1.58 -0.81 -2.21 0.00 0.00 174.62 173.63 3ipa n PRO 99 N 2.16 1.14 0.00 7.08 -0.04 -1.26 -1.41 135.00 142.67 3ipa n PRO 99 Ca -0.08 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 3ipa n PRO 99 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3ipa n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ipa n ALA 100 N -0.32 0.00 -2.56 0.55 0.00 -1.26 -4.18 120.51 112.74 3ipa n ALA 100 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 3ipa n ALA 100 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 3ipa n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ipa s ALA 101 N 0.00 3.54 -0.37 0.00 0.00 -1.21 -4.91 121.76 118.82 3ipa s ALA 101 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3ipa s ALA 101 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3ipa s ALA 101 CO 0.00 -0.85 0.36 0.25 0.00 0.00 0.00 175.76 175.52 3ipa n THR 102 N 4.88 0.00 -2.02 0.00 -2.24 -1.26 -4.91 114.28 108.74 3ipa n THR 102 Ca 0.11 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 3ipa n THR 102 Cb 0.47 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 3ipa n THR 102 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ipa s ASN 103 N -1.05 6.67 0.42 3.42 3.84 -1.26 -0.63 114.94 126.34 3ipa s ASN 103 Ca 0.03 2.51 0.18 0.00 0.21 0.00 0.00 52.86 55.80 3ipa s ASN 103 Cb 0.04 -2.59 1.10 0.00 -0.55 0.00 0.00 41.25 39.25 3ipa s ASN 103 CO 0.14 -0.77 1.84 -0.65 -2.79 0.00 0.00 177.10 174.88 3ipa h PRO 104 N 6.81 0.38 -0.70 0.43 0.11 -1.94 -2.03 132.00 135.06 3ipa h PRO 104 Ca -0.42 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.83 3ipa h PRO 104 Cb 1.21 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3ipa h PRO 104 CO 0.90 0.25 0.48 0.28 -0.21 0.00 0.00 178.00 179.70 3ipa h VAL 105 N 0.39 0.73 -0.90 3.15 2.07 -1.94 -2.29 116.25 117.46 3ipa h VAL 105 Ca 0.49 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 68.10 3ipa h VAL 105 Cb 1.25 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3ipa h VAL 105 CO -0.19 0.04 0.58 0.15 0.02 0.00 0.00 177.57 178.17 3ipa h PHE 106 N 0.22 0.76 -0.23 1.57 3.57 -1.75 -1.97 116.94 119.11 3ipa h PHE 106 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3ipa h PHE 106 Cb 1.03 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3ipa h PHE 106 CO -0.00 0.25 0.00 0.25 -2.23 0.00 0.00 178.31 176.57 3ipa n THR 107 N -4.57 1.65 -1.26 4.41 -2.24 -0.87 -4.63 114.28 106.77 3ipa n THR 107 Ca 0.19 -1.53 0.06 0.00 -2.27 0.00 0.00 64.05 60.49 3ipa n THR 107 Cb 0.55 0.09 0.19 0.00 -2.10 0.00 0.00 70.33 69.06 3ipa n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ipa n GLU 108 N -0.28 1.83 -0.04 -0.78 -0.58 -0.74 -4.55 120.64 115.50 3ipa n GLU 108 Ca 0.15 -2.94 0.04 0.00 -0.42 0.00 0.00 57.16 53.99 3ipa n GLU 108 Cb 0.63 -1.67 0.05 0.00 -0.57 0.00 0.00 31.44 29.88 3ipa n GLU 108 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ipa n ARG 109 N -1.10 0.93 -1.70 3.49 1.74 -1.25 -4.99 116.66 113.78 3ipa n ARG 109 Ca 0.22 -1.24 -0.08 0.00 -0.77 0.00 0.00 57.85 55.98 3ipa n ARG 109 Cb 0.79 -1.16 -0.02 0.00 -1.02 0.00 0.00 32.46 31.06 3ipa n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ipa n GLY 110 N 0.35 0.50 3.75 -0.13 0.00 -1.26 -5.01 105.19 103.40 3ipa n GLY 110 Ca 0.05 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3ipa n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipa s LEU 111 N -2.04 4.58 0.54 0.99 1.43 -1.26 -4.96 118.68 117.96 3ipa s LEU 111 Ca 0.00 1.76 0.32 0.00 -1.03 0.00 0.00 54.13 55.18 3ipa s LEU 111 Cb 0.00 -3.46 1.40 0.00 0.03 0.00 0.00 46.19 44.16 3ipa s LEU 111 CO 0.00 0.11 2.00 4.11 0.23 0.00 0.00 176.35 182.81 3ipa h TRP 112 N 4.68 0.00 -0.02 0.29 5.08 -1.94 -3.32 115.95 120.71 3ipa h TRP 112 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3ipa h TRP 112 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3ipa h TRP 112 CO 0.63 0.06 -0.19 0.27 -1.28 0.00 0.00 178.44 177.93 3ipa n ASN 113 N -3.22 1.95 -4.67 0.11 6.94 -1.26 -4.92 115.26 110.20 3ipa n ASN 113 Ca -0.00 -1.47 -0.38 0.00 -0.02 0.00 0.00 54.58 52.70 3ipa n ASN 113 Cb 0.30 0.27 -0.08 0.00 -2.36 0.00 0.00 39.78 37.92 3ipa n ASN 113 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3ipa s THR 114 N -1.69 5.22 0.11 5.53 -4.23 -1.25 -1.02 115.64 118.31 3ipa s THR 114 Ca 0.16 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3ipa s THR 114 Cb 0.13 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 3ipa s THR 114 CO 0.32 0.27 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.30 3ipa s PHE 115 N 1.27 0.83 0.06 3.99 0.08 -0.30 -4.25 117.98 119.66 3ipa s PHE 115 Ca 0.17 -1.08 -0.00 0.00 0.12 0.00 0.00 56.93 56.15 3ipa s PHE 115 Cb -0.15 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 3ipa s PHE 115 CO 0.07 -0.34 -0.04 1.03 -0.10 0.00 0.00 175.22 175.84 3ipa s ARG 116 N -3.94 0.62 0.00 0.44 0.52 -0.84 -1.04 118.95 114.71 3ipa s ARG 116 Ca 0.16 -1.15 0.16 0.00 -0.52 0.00 0.00 55.73 54.38 3ipa s ARG 116 Cb 0.07 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.61 3ipa s ARG 116 CO -0.03 -0.07 0.85 0.25 0.02 0.00 0.00 175.30 176.32 3ipa n THR 117 N 0.32 0.00 -3.26 0.02 -2.24 -0.50 -3.83 114.28 104.79 3ipa n THR 117 Ca -0.15 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 3ipa n THR 117 Cb 0.60 1.19 0.01 0.00 -2.10 0.00 0.00 70.33 70.02 3ipa n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ipa n GLY 119 N -1.85 -0.49 3.19 0.00 0.00 -1.26 -4.59 105.19 100.19 3ipa n GLY 119 Ca 0.08 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 3ipa n GLY 119 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ipa s ARG 120 N -1.46 0.89 0.22 1.61 1.70 -1.26 -4.46 118.95 116.19 3ipa s ARG 120 Ca 0.00 -1.37 0.26 0.00 -0.47 0.00 0.00 55.73 54.15 3ipa s ARG 120 Cb 0.00 -0.28 0.84 0.00 -0.57 0.00 0.00 34.95 34.94 3ipa s ARG 120 CO 0.00 -0.01 1.77 -0.25 -1.08 0.00 0.00 175.30 175.73 3ipa n ASP 121 N -0.08 0.79 -0.06 -2.89 8.00 0.19 -1.55 116.55 120.96 3ipa n ASP 121 Ca -0.11 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 55.88 3ipa n ASP 121 Cb 0.61 -0.80 0.05 0.00 -0.02 0.00 0.00 41.12 40.96 3ipa n ASP 121 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 3ipa h ASP 122 N 0.00 0.78 -0.04 -2.24 2.03 -1.93 0.71 116.42 115.73 3ipa h ASP 122 Ca 0.00 -0.35 -0.01 0.00 -0.73 0.00 0.00 57.03 55.95 3ipa h ASP 122 Cb 0.69 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.97 3ipa h ASP 122 CO 0.00 1.08 0.01 1.56 -1.03 0.00 0.00 179.24 180.85 3ipa h GLN 123 N 0.60 0.07 -0.32 4.15 4.20 -1.76 -2.61 115.11 119.44 3ipa h GLN 123 Ca 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3ipa h GLN 123 Cb 0.93 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3ipa h GLN 123 CO 0.08 0.31 0.12 0.37 -0.67 0.00 0.00 178.83 179.05 3ipa h GLN 124 N -0.18 0.48 -0.08 1.46 4.15 -1.24 -2.50 115.11 117.19 3ipa h GLN 124 Ca 0.01 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 3ipa h GLN 124 Cb 0.28 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3ipa h GLN 124 CO 0.00 0.49 -0.28 0.78 -1.93 0.00 0.00 178.83 177.89 3ipa h GLY 125 N 0.37 0.16 0.94 2.39 0.00 -0.93 -0.84 103.07 105.15 3ipa h GLY 125 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3ipa h GLY 125 CO -0.01 0.11 0.15 -1.33 0.00 0.00 0.00 176.54 175.46 3ipa h GLY 126 N 0.97 0.45 0.90 4.60 0.00 -1.16 0.12 103.07 108.94 3ipa h GLY 126 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3ipa h GLY 126 CO 0.04 0.21 0.05 -2.22 0.00 0.00 0.00 176.54 174.62 3ipa h ILE 127 N 0.35 1.23 -0.22 2.60 1.08 -1.11 -2.54 117.51 118.91 3ipa h ILE 127 Ca 0.10 -0.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 3ipa h ILE 127 Cb 0.10 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 3ipa h ILE 127 CO -0.01 0.27 0.05 0.00 -0.69 0.00 0.00 178.15 177.76 3ipa h ALA 128 N 0.89 0.29 -0.68 1.87 0.00 -0.99 -1.10 119.26 119.53 3ipa h ALA 128 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ipa h ALA 128 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ipa h ALA 128 CO 0.01 -0.06 0.38 0.78 0.00 0.00 0.00 179.25 180.36 3ipa h GLY 129 N 0.17 1.01 1.38 0.00 0.00 -0.80 -0.66 103.07 104.17 3ipa h GLY 129 Ca 0.07 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3ipa h GLY 129 CO 0.00 0.43 -0.03 1.70 0.00 0.00 0.00 176.54 178.64 3ipa h LYS 130 N 0.94 0.75 -0.48 4.80 3.64 -1.36 -2.50 116.57 122.35 3ipa h LYS 130 Ca 0.24 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3ipa h LYS 130 Cb 0.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3ipa h LYS 130 CO -0.04 0.78 0.19 -0.92 -2.27 0.00 0.00 179.45 177.18 3ipa h TYR 131 N 0.69 0.74 -0.59 1.91 5.03 -0.51 -0.35 116.97 123.89 3ipa h TYR 131 Ca 0.13 -0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.44 3ipa h TYR 131 Cb 0.47 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 38.48 3ipa h TYR 131 CO 0.02 0.63 0.30 -0.07 -1.32 0.00 0.00 178.16 177.72 3ipa h LEU 132 N 0.64 0.42 -0.65 2.82 3.38 -0.86 -1.01 115.31 120.04 3ipa h LEU 132 Ca 0.16 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3ipa h LEU 132 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ipa h LEU 132 CO -0.01 0.28 -0.30 0.00 0.09 0.00 0.00 178.44 178.50 3ipa h ALA 133 N 1.33 0.83 -0.21 1.53 0.00 -1.17 0.18 119.26 121.76 3ipa h ALA 133 Ca 0.27 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3ipa h ALA 133 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ipa h ALA 133 CO -0.19 0.64 -0.54 -0.44 0.00 0.00 0.00 179.25 178.71 3ipa h ASP 134 N 0.62 0.68 0.00 0.00 3.32 -0.59 -3.21 116.42 117.24 3ipa h ASP 134 Ca 0.07 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 3ipa h ASP 134 Cb 0.81 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3ipa h ASP 134 CO 0.07 1.09 -1.55 1.41 -1.72 0.00 0.00 179.24 178.54 3ipa n HIS 135 N -3.97 0.00 -2.53 4.55 8.25 -0.43 -4.67 115.22 116.42 3ipa n HIS 135 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 3ipa n HIS 135 Cb 0.61 -0.30 0.04 0.00 1.12 0.00 0.00 29.99 31.45 3ipa n HIS 135 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ipa n PHE 136 N -1.98 1.87 -0.31 4.41 3.72 0.63 -4.92 117.46 120.87 3ipa n PHE 136 Ca -0.05 -2.29 0.19 0.00 -0.05 0.00 0.00 57.45 55.25 3ipa n PHE 136 Cb 0.40 -0.27 0.44 0.00 -0.94 0.00 0.00 39.48 39.11 3ipa n PHE 136 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3ipa h LYS 137 N 2.51 0.51 -0.17 -1.08 3.64 -1.55 -1.34 116.57 119.09 3ipa h LYS 137 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ipa h LYS 137 Cb 1.33 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3ipa h LYS 137 CO 0.44 0.34 0.00 -0.25 -2.27 0.00 0.00 179.45 177.71 3ipa n ASP 138 N -4.65 2.98 -4.79 4.20 10.43 -1.26 -4.78 116.55 118.67 3ipa n ASP 138 Ca 0.23 -1.91 -0.34 0.00 2.57 0.00 0.00 54.79 55.35 3ipa n ASP 138 Cb 0.73 -0.10 -0.02 0.00 1.84 0.00 0.00 41.12 43.57 3ipa n ASP 138 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ipa s ALA 139 N -1.59 2.82 -0.36 2.24 0.00 -0.51 -5.00 121.76 119.36 3ipa s ALA 139 Ca 0.29 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 3ipa s ALA 139 Cb 0.19 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3ipa s ALA 139 CO 0.27 -0.46 0.85 0.15 0.00 0.00 0.00 175.76 176.58 3ipa s LYS 140 N -3.37 3.81 -0.12 0.00 1.02 -1.26 -4.95 119.74 114.87 3ipa s LYS 140 Ca 0.68 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 57.11 3ipa s LYS 140 Cb -0.17 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3ipa s LYS 140 CO 0.24 -0.89 -0.04 0.08 -0.92 0.00 0.00 175.35 173.82 3ipa s VAL 141 N 3.27 3.94 -0.20 3.17 1.01 -1.26 -1.39 120.40 128.94 3ipa s VAL 141 Ca 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3ipa s VAL 141 Cb -0.13 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3ipa s VAL 141 CO 0.17 0.54 0.02 0.00 0.00 0.00 0.00 175.10 175.84 3ipa s ALA 142 N -0.21 3.11 -0.36 5.51 0.00 -0.08 -0.53 121.76 129.21 3ipa s ALA 142 Ca 0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 3ipa s ALA 142 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 3ipa s ALA 142 CO 0.02 -0.09 0.25 0.42 0.00 0.00 0.00 175.76 176.36 3ipa s ILE 143 N 0.89 5.18 -0.03 0.00 1.01 0.22 -0.33 121.20 128.14 3ipa s ILE 143 Ca 0.02 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.36 3ipa s ILE 143 Cb -0.14 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 3ipa s ILE 143 CO 0.02 -0.09 -0.25 -0.63 0.00 0.00 0.00 174.94 174.00 3ipa s ILE 144 N 1.69 1.96 0.24 2.92 -1.09 0.27 -1.27 121.20 125.93 3ipa s ILE 144 Ca 0.05 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.44 3ipa s ILE 144 Cb -0.18 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.01 3ipa s ILE 144 CO 0.10 0.55 0.07 -1.38 -1.23 0.00 0.00 174.94 173.05 3ipa s HIS 145 N -0.43 1.46 -0.55 3.97 -3.43 -0.41 -0.26 115.29 115.64 3ipa s HIS 145 Ca 0.05 -1.13 0.16 0.00 -0.80 0.00 0.00 55.06 53.33 3ipa s HIS 145 Cb -0.11 -0.85 0.78 0.00 -1.43 0.00 0.00 32.58 30.97 3ipa s HIS 145 CO 0.01 -0.29 1.70 -0.40 -2.00 0.00 0.00 174.74 173.75 3ipa n ASP 146 N -0.41 5.36 -2.11 7.38 5.75 -0.54 -0.82 116.55 131.15 3ipa n ASP 146 Ca -0.02 -2.77 -0.20 0.00 -0.01 0.00 0.00 54.79 51.79 3ipa n ASP 146 Cb 0.65 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 3ipa n ASP 146 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ipa n LYS 147 N 0.76 -1.62 -4.22 0.11 5.02 -1.21 -3.88 118.16 113.11 3ipa n LYS 147 Ca 0.27 1.07 -0.23 0.00 -2.02 0.00 0.00 58.31 57.39 3ipa n LYS 147 Cb 1.09 -5.63 -0.07 0.00 -0.02 0.00 0.00 35.03 30.39 3ipa n LYS 147 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ipa s THR 148 N -2.92 3.09 0.21 -0.18 -4.23 -1.26 -4.93 115.64 105.43 3ipa s THR 148 Ca 0.00 -1.83 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 3ipa s THR 148 Cb 0.00 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 71.14 3ipa s THR 148 CO 0.00 -0.26 1.67 -0.65 -0.54 0.00 0.00 174.62 174.84 3ipa h PRO 149 N 1.73 0.14 0.61 3.99 0.11 -1.98 -0.54 132.00 136.05 3ipa h PRO 149 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3ipa h PRO 149 Cb 1.25 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ipa h PRO 149 CO 0.63 0.09 -0.29 -0.92 -0.21 0.00 0.00 178.00 177.30 3ipa h TYR 150 N 0.14 -0.76 0.00 0.65 3.20 -1.95 -1.69 116.97 116.57 3ipa h TYR 150 Ca 0.33 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 3ipa h TYR 150 Cb 0.53 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3ipa h TYR 150 CO -0.34 -0.43 -0.00 0.78 -1.64 0.00 0.00 178.16 176.53 3ipa h GLY 151 N -0.94 -0.01 1.50 1.82 0.00 -1.67 -0.76 103.07 103.01 3ipa h GLY 151 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 3ipa h GLY 151 CO 0.14 -0.00 -0.40 -1.61 0.00 0.00 0.00 176.54 174.66 3ipa h GLN 152 N -0.28 0.55 -0.38 4.80 4.15 -1.25 -1.51 115.11 121.20 3ipa h GLN 152 Ca -0.00 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.16 3ipa h GLN 152 Cb 0.28 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3ipa h GLN 152 CO 0.00 0.86 0.21 0.78 -1.93 0.00 0.00 178.83 178.75 3ipa h GLY 153 N 1.06 0.52 0.93 2.39 0.00 -1.12 0.11 103.07 106.97 3ipa h GLY 153 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3ipa h GLY 153 CO 0.08 0.13 -0.09 -2.00 0.00 0.00 0.00 176.54 174.66 3ipa h LEU 154 N 0.43 0.68 -0.81 3.11 5.85 -1.02 -1.36 115.31 122.18 3ipa h LEU 154 Ca 0.15 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3ipa h LEU 154 Cb 0.03 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3ipa h LEU 154 CO -0.09 0.89 0.50 0.00 -0.34 0.00 0.00 178.44 179.41 3ipa h ALA 155 N 0.81 1.10 -0.36 1.25 0.00 -1.08 -0.88 119.26 120.10 3ipa h ALA 155 Ca 0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3ipa h ALA 155 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ipa h ALA 155 CO 0.04 0.27 -0.36 -0.44 0.00 0.00 0.00 179.25 178.76 3ipa h ASP 156 N 0.95 0.88 -0.52 0.00 3.32 -0.57 0.15 116.42 120.62 3ipa h ASP 156 Ca 0.34 -0.39 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3ipa h ASP 156 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3ipa h ASP 156 CO -0.15 1.14 0.06 -0.33 -1.72 0.00 0.00 179.24 178.24 3ipa h GLU 157 N 0.69 0.89 -0.42 3.56 4.39 -1.00 -0.86 114.58 121.83 3ipa h GLU 157 Ca 0.06 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3ipa h GLU 157 Cb 0.92 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3ipa h GLU 157 CO 0.08 0.88 0.12 1.15 -1.16 0.00 0.00 179.01 180.08 3ipa h THR 158 N 0.77 1.22 -0.20 1.13 2.02 -0.98 -2.12 112.91 114.75 3ipa h THR 158 Ca 0.16 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.63 3ipa h THR 158 Cb 0.44 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 3ipa h THR 158 CO 0.02 0.27 -0.09 0.50 0.37 0.00 0.00 175.52 176.58 3ipa h LYS 159 N 0.54 -0.07 -0.29 6.66 3.64 -0.56 0.17 116.57 126.67 3ipa h LYS 159 Ca 0.13 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3ipa h LYS 159 Cb 0.29 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 3ipa h LYS 159 CO -0.00 -0.05 -0.01 -0.22 -2.27 0.00 0.00 179.45 176.90 3ipa h LYS 160 N -0.07 0.07 -0.36 1.90 3.64 -1.00 0.20 116.57 120.95 3ipa h LYS 160 Ca 0.11 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3ipa h LYS 160 Cb 0.23 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3ipa h LYS 160 CO -0.25 0.05 -0.06 0.00 -2.27 0.00 0.00 179.45 176.92 3ipa h ALA 161 N 1.25 0.49 -0.37 5.00 0.00 -1.10 -1.86 119.26 122.67 3ipa h ALA 161 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ipa h ALA 161 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ipa h ALA 161 CO -0.24 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.49 3ipa h ALA 162 N 0.84 0.48 -0.60 0.00 0.00 -0.38 -2.03 119.26 117.56 3ipa h ALA 162 Ca 0.10 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3ipa h ALA 162 Cb 0.55 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3ipa h ALA 162 CO 0.03 0.07 0.32 -0.91 0.00 0.00 0.00 179.25 178.76 3ipa h ASN 163 N 0.46 0.48 0.40 0.00 2.35 -0.42 -0.10 115.58 118.75 3ipa h ASN 163 Ca 0.13 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3ipa h ASN 163 Cb 0.16 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3ipa h ASN 163 CO -0.01 0.32 -0.18 0.00 -1.65 0.00 0.00 177.43 175.91 3ipa h ALA 164 N 1.31 1.32 -0.44 -0.83 0.00 -1.09 -2.39 119.26 117.15 3ipa h ALA 164 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ipa h ALA 164 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ipa h ALA 164 CO -0.17 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3ipa n ALA 165 N -2.33 2.43 0.00 0.00 0.00 -0.65 -4.93 120.51 115.03 3ipa n ALA 165 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3ipa n ALA 165 Cb 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3ipa n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipa n GLY 166 N 1.41 0.83 3.46 0.00 0.00 -0.82 -4.86 105.19 105.21 3ipa n GLY 166 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3ipa n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipa s VAL 167 N -2.00 4.68 -0.29 1.61 1.01 -0.14 -4.99 120.40 120.28 3ipa s VAL 167 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3ipa s VAL 167 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3ipa s VAL 167 CO 0.00 0.13 0.10 -0.89 0.00 0.00 0.00 175.10 174.43 3ipa s THR 168 N 1.64 4.25 0.63 3.92 2.01 -1.26 -2.78 115.64 124.04 3ipa s THR 168 Ca 0.05 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 3ipa s THR 168 Cb -0.17 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 3ipa s THR 168 CO 0.07 0.15 1.22 -1.83 -0.69 0.00 0.00 174.62 173.53 3ipa s GLU 169 N 1.57 2.77 0.03 4.92 1.03 -1.26 -4.70 118.70 123.05 3ipa s GLU 169 Ca 0.04 1.83 0.23 0.00 0.03 0.00 0.00 54.97 57.10 3ipa s GLU 169 Cb -0.16 -1.90 -0.00 0.00 -0.80 0.00 0.00 34.13 31.26 3ipa s GLU 169 CO 0.04 -1.36 0.99 1.33 -1.33 0.00 0.00 175.26 174.93 3ipa n VAL 170 N -1.85 0.10 -3.85 1.83 0.24 0.31 -4.93 118.33 110.18 3ipa n VAL 170 Ca 0.14 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 3ipa n VAL 170 Cb 0.50 0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 33.13 3ipa n VAL 170 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3ipa s MET 171 N -3.16 0.31 -0.16 7.34 -1.94 -1.19 -5.02 119.30 115.47 3ipa s MET 171 Ca 0.04 -0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.89 3ipa s MET 171 Cb 0.15 0.13 0.07 0.00 2.01 0.00 0.00 34.83 37.20 3ipa s MET 171 CO 0.82 -0.06 0.16 -0.47 -0.01 0.00 0.00 175.02 175.46 3ipa s TYR 172 N -0.61 -0.10 0.02 -0.03 5.04 -1.25 -0.61 117.35 119.81 3ipa s TYR 172 Ca -0.07 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3ipa s TYR 172 Cb -0.04 -0.45 -0.02 0.00 0.35 0.00 0.00 41.96 41.80 3ipa s TYR 172 CO 0.01 -0.49 -0.03 -1.21 -1.34 0.00 0.00 175.55 172.48 3ipa s GLU 173 N 2.26 0.31 0.01 4.97 0.41 -0.40 -5.00 118.70 121.25 3ipa s GLU 173 Ca 0.05 -0.54 0.03 0.00 -0.41 0.00 0.00 54.97 54.09 3ipa s GLU 173 Cb -0.15 0.02 -0.04 0.00 -1.78 0.00 0.00 34.13 32.19 3ipa s GLU 173 CO -0.10 -0.02 -0.03 0.20 -0.49 0.00 0.00 175.26 174.82 3ipa s GLY 174 N -1.26 1.83 0.19 -1.39 0.00 -1.26 -1.29 107.32 104.13 3ipa s GLY 174 Ca -0.13 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 43.67 3ipa s GLY 174 CO -0.01 -0.88 -0.14 -1.34 0.00 0.00 0.00 173.10 170.74 3ipa s VAL 175 N -1.07 1.63 0.01 1.40 -7.23 -0.00 -4.93 120.40 110.20 3ipa s VAL 175 Ca 0.19 -2.12 -0.21 0.00 -1.81 0.00 0.00 61.98 58.03 3ipa s VAL 175 Cb -0.11 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 3ipa s VAL 175 CO 0.10 -0.58 0.60 0.20 -0.31 0.00 0.00 175.10 175.11 3ipa s ASN 176 N -3.16 6.99 0.22 4.85 0.01 -1.26 -3.36 114.94 119.24 3ipa s ASN 176 Ca 0.20 1.18 -0.32 0.00 -0.71 0.00 0.00 52.86 53.21 3ipa s ASN 176 Cb -0.01 -2.37 -0.13 0.00 0.41 0.00 0.00 41.25 39.15 3ipa s ASN 176 CO 0.06 0.12 1.60 0.52 -1.51 0.00 0.00 177.10 177.88 3ipa n VAL 177 N 2.62 0.40 0.00 1.60 0.31 -1.25 -1.65 118.33 120.35 3ipa n VAL 177 Ca -0.07 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3ipa n VAL 177 Cb 0.51 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3ipa n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ipa n GLY 178 N 3.08 3.44 3.77 2.92 0.00 -1.26 -5.06 105.19 112.09 3ipa n GLY 178 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3ipa n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ipa s ASP 179 N -1.03 6.86 0.00 1.61 1.01 -0.66 -4.96 116.67 119.50 3ipa s ASP 179 Ca 0.00 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.48 3ipa s ASP 179 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3ipa s ASP 179 CO 0.00 -0.43 0.00 0.29 0.21 0.00 0.00 175.17 175.24 3ipa n LYS 180 N 0.41 3.23 -3.50 8.23 5.02 -1.26 -4.93 118.16 125.36 3ipa n LYS 180 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3ipa n LYS 180 Cb 0.47 -0.26 -0.10 0.00 -0.02 0.00 0.00 35.03 35.12 3ipa n LYS 180 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ipa s ASP 181 N -0.49 5.94 -0.18 4.39 -1.08 -1.26 -4.91 116.67 119.08 3ipa s ASP 181 Ca 0.00 -1.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.02 3ipa s ASP 181 Cb 0.00 -2.10 0.58 0.00 -1.46 0.00 0.00 42.92 39.94 3ipa s ASP 181 CO 0.00 -0.51 1.49 0.49 0.52 0.00 0.00 175.17 177.16 3ipa n PHE 182 N 5.09 1.16 -0.09 -5.34 3.72 -1.26 -4.71 117.46 116.02 3ipa n PHE 182 Ca -0.11 -0.82 -0.07 0.00 -0.05 0.00 0.00 57.45 56.40 3ipa n PHE 182 Cb 0.45 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3ipa n PHE 182 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ipa h SER 183 N 2.33 0.14 -0.43 4.37 4.64 -1.97 0.64 113.55 123.27 3ipa h SER 183 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3ipa h SER 183 Cb 1.51 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.59 3ipa h SER 183 CO 0.26 0.12 0.15 0.00 -0.87 0.00 0.00 176.83 176.49 3ipa h ALA 184 N 1.20 0.56 -0.60 5.18 0.00 -1.99 0.74 119.26 124.35 3ipa h ALA 184 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ipa h ALA 184 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ipa h ALA 184 CO -0.14 0.19 0.27 1.25 0.00 0.00 0.00 179.25 180.83 3ipa h LEU 185 N 0.55 0.81 -0.63 0.00 5.85 -1.84 -0.30 115.31 119.75 3ipa h LEU 185 Ca 0.14 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3ipa h LEU 185 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3ipa h LEU 185 CO -0.01 0.73 0.09 0.40 -0.34 0.00 0.00 178.44 179.31 3ipa h ILE 186 N 0.83 1.26 -0.80 4.05 2.04 -0.60 -0.63 117.51 123.65 3ipa h ILE 186 Ca 0.20 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 3ipa h ILE 186 Cb 0.15 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3ipa h ILE 186 CO -0.02 0.38 0.38 0.28 0.00 0.00 0.00 178.15 179.16 3ipa h SER 187 N 0.95 1.06 -0.61 1.72 0.02 -0.60 -0.02 113.55 116.07 3ipa h SER 187 Ca 0.19 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3ipa h SER 187 Cb 0.45 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3ipa h SER 187 CO 0.01 0.90 0.33 0.50 -1.14 0.00 0.00 176.83 177.43 3ipa h LYS 188 N 1.14 0.86 -0.56 3.45 3.64 -0.61 -0.11 116.57 124.38 3ipa h LYS 188 Ca 0.27 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3ipa h LYS 188 Cb 0.13 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3ipa h LYS 188 CO -0.03 0.67 0.09 0.52 -2.27 0.00 0.00 179.45 178.42 3ipa h MET 189 N 0.84 0.89 -0.07 1.90 2.86 -0.77 -1.72 114.93 118.86 3ipa h MET 189 Ca 0.21 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ipa h MET 189 Cb 0.06 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3ipa h MET 189 CO -0.03 0.83 0.03 0.87 1.06 0.00 0.00 176.91 179.67 3ipa h LYS 190 N 0.84 0.10 -0.49 1.72 1.57 -0.52 -0.81 116.57 118.98 3ipa h LYS 190 Ca 0.17 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 3ipa h LYS 190 Cb 0.38 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ipa h LYS 190 CO 0.01 0.18 0.33 0.93 -0.57 0.00 0.00 179.45 180.33 3ipa h GLU 191 N -0.01 0.24 -0.00 3.15 5.08 -0.83 -1.13 114.58 121.07 3ipa h GLU 191 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ipa h GLU 191 Cb 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ipa h GLU 191 CO -0.00 0.16 -0.15 0.00 -1.00 0.00 0.00 179.01 178.01 3ipa n ALA 192 N -2.55 2.84 -1.37 3.43 0.00 -0.66 -4.92 120.51 117.28 3ipa n ALA 192 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 3ipa n ALA 192 Cb 0.38 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3ipa n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipa n GLY 193 N 1.31 0.67 3.72 0.00 0.00 -0.43 -4.98 105.19 105.49 3ipa n GLY 193 Ca 0.13 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3ipa n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ipa n VAL 194 N -3.09 0.44 -0.01 1.61 0.31 -0.38 -4.61 118.33 112.61 3ipa n VAL 194 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3ipa n VAL 194 Cb 0.27 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 3ipa n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ipa n SER 195 N 3.13 0.26 -3.83 4.52 3.41 -0.49 -4.59 113.62 116.03 3ipa n SER 195 Ca 0.13 -0.62 -0.19 0.00 -0.26 0.00 0.00 58.87 57.93 3ipa n SER 195 Cb 0.35 0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 64.83 3ipa n SER 195 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ipa s ILE 196 N -0.69 0.34 -0.31 -1.33 -1.09 -1.12 -1.42 121.20 115.58 3ipa s ILE 196 Ca 0.00 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 3ipa s ILE 196 Cb 0.00 -0.43 0.03 0.00 -1.58 0.00 0.00 42.46 40.48 3ipa s ILE 196 CO 0.00 0.20 0.07 -0.63 -1.23 0.00 0.00 174.94 173.35 3ipa s ILE 197 N 1.19 3.70 -0.20 2.92 1.01 0.08 -0.90 121.20 129.00 3ipa s ILE 197 Ca -0.07 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 3ipa s ILE 197 Cb -0.14 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3ipa s ILE 197 CO -0.02 -0.02 0.58 -0.47 0.00 0.00 0.00 174.94 175.01 3ipa s TYR 198 N 1.42 3.36 -0.27 3.97 6.14 0.55 0.04 117.35 132.57 3ipa s TYR 198 Ca 0.00 0.84 -0.04 0.00 0.64 0.00 0.00 57.07 58.51 3ipa s TYR 198 Cb -0.18 -2.75 0.01 0.00 0.42 0.00 0.00 41.96 39.46 3ipa s TYR 198 CO 0.02 -0.16 0.01 -0.46 0.64 0.00 0.00 175.55 175.60 3ipa s TRP 199 N 1.85 3.09 -0.71 4.97 -0.11 0.88 -0.56 118.94 128.35 3ipa s TRP 199 Ca 0.26 -1.18 -0.16 0.00 1.22 0.00 0.00 56.10 56.25 3ipa s TRP 199 Cb -0.16 -2.16 0.16 0.00 -1.50 0.00 0.00 33.47 29.82 3ipa s TRP 199 CO 0.10 -0.62 0.72 0.20 -4.62 0.00 0.00 176.95 172.72 3ipa s GLY 200 N 1.43 2.24 0.00 5.86 0.00 0.64 -4.17 107.32 113.33 3ipa s GLY 200 Ca 0.02 -2.82 0.00 0.00 0.00 0.00 0.00 44.72 41.92 3ipa s GLY 200 CO -0.01 1.39 0.00 0.61 0.00 0.00 0.00 173.10 175.09 3ipa n GLY 201 N 4.76 -0.53 2.59 0.20 0.00 -1.26 -1.47 105.19 109.48 3ipa n GLY 201 Ca 0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 3ipa n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ipa n LEU 202 N 0.00 0.00 0.10 0.99 4.77 -1.26 -4.37 117.00 117.22 3ipa n LEU 202 Ca 0.00 -1.85 -0.05 0.00 -0.03 0.00 0.00 56.01 54.08 3ipa n LEU 202 Cb 0.00 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.06 3ipa n LEU 202 CO 0.00 -0.54 0.40 1.12 -1.33 0.00 0.00 177.39 177.05 3ipa h HIS 203 N 0.42 0.22 0.69 -1.77 2.07 -1.82 -2.62 115.15 112.34 3ipa h HIS 203 Ca -0.22 -0.10 -0.03 0.00 -2.85 0.00 0.00 60.37 57.17 3ipa h HIS 203 Cb 0.85 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.80 3ipa h HIS 203 CO 0.00 0.81 -0.34 1.15 -3.07 0.00 0.00 177.93 176.47 3ipa h THR 204 N 0.11 0.30 -0.57 6.12 2.02 -1.89 0.21 112.91 119.20 3ipa h THR 204 Ca -0.02 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 3ipa h THR 204 Cb 1.24 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3ipa h THR 204 CO 0.10 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 175.67 3ipa h GLU 205 N -0.94 0.98 -0.38 6.66 3.07 -1.92 -2.30 114.58 119.75 3ipa h GLU 205 Ca -0.09 -0.29 0.04 0.00 -0.50 0.00 0.00 59.36 58.51 3ipa h GLU 205 Cb 0.73 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 3ipa h GLU 205 CO 0.15 0.96 0.16 0.00 -1.40 0.00 0.00 179.01 178.88 3ipa h ALA 206 N 1.09 0.46 -0.70 3.43 0.00 -1.27 -0.50 119.26 121.76 3ipa h ALA 206 Ca 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ipa h ALA 206 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ipa h ALA 206 CO 0.03 -0.22 0.24 0.78 0.00 0.00 0.00 179.25 180.08 3ipa h GLY 207 N 0.34 1.14 0.97 0.00 0.00 -0.40 -0.29 103.07 104.83 3ipa h GLY 207 Ca 0.17 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3ipa h GLY 207 CO -0.15 0.60 0.03 1.41 0.00 0.00 0.00 176.54 178.43 3ipa h LEU 208 N 1.03 0.76 -0.28 3.11 3.38 -1.09 -1.55 115.31 120.67 3ipa h LEU 208 Ca 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ipa h LEU 208 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ipa h LEU 208 CO -0.01 0.85 0.12 0.40 0.09 0.00 0.00 178.44 179.89 3ipa h ILE 209 N 0.63 1.17 -0.28 1.22 2.04 -0.76 -0.88 117.51 120.66 3ipa h ILE 209 Ca 0.13 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3ipa h ILE 209 Cb 0.45 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3ipa h ILE 209 CO 0.02 0.18 0.13 0.40 0.00 0.00 0.00 178.15 178.87 3ipa h ILE 210 N 0.30 0.98 -0.18 -0.67 2.04 -0.97 0.40 117.51 119.42 3ipa h ILE 210 Ca 0.09 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3ipa h ILE 210 Cb 0.17 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3ipa h ILE 210 CO -0.01 0.05 0.03 -0.09 0.00 0.00 0.00 178.15 178.13 3ipa h ARG 211 N 0.28 0.30 -0.22 2.37 2.43 -1.18 -2.49 114.38 115.86 3ipa h ARG 211 Ca 0.12 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3ipa h ARG 211 Cb 0.04 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3ipa h ARG 211 CO -0.09 0.46 -0.30 1.96 -1.51 0.00 0.00 179.97 180.49 3ipa h GLN 212 N 0.09 0.45 -0.45 0.20 4.20 -1.05 -1.98 115.11 116.58 3ipa h GLN 212 Ca 0.05 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3ipa h GLN 212 Cb 0.31 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3ipa h GLN 212 CO 0.00 0.71 0.18 0.00 -0.67 0.00 0.00 178.83 179.06 3ipa h ALA 213 N 1.28 0.58 -0.38 3.87 0.00 -0.83 0.17 119.26 123.96 3ipa h ALA 213 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ipa h ALA 213 Cb 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ipa h ALA 213 CO 0.06 0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.73 3ipa h ALA 214 N 1.03 0.48 -0.50 0.00 0.00 -1.24 -0.34 119.26 118.68 3ipa h ALA 214 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ipa h ALA 214 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ipa h ALA 214 CO -0.01 -0.05 0.11 0.22 0.00 0.00 0.00 179.25 179.52 3ipa h ASP 215 N 0.50 0.72 0.07 0.00 3.58 -1.06 -2.78 116.42 117.45 3ipa h ASP 215 Ca 0.14 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3ipa h ASP 215 Cb -0.03 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.83 3ipa h ASP 215 CO -0.03 0.71 -0.05 0.00 -2.88 0.00 0.00 179.24 176.99 3ipa n GLN 216 N -4.28 1.32 -1.67 0.28 6.02 0.02 -4.93 117.38 114.13 3ipa n GLN 216 Ca 0.03 -0.65 -0.01 0.00 -0.01 0.00 0.00 57.00 56.37 3ipa n GLN 216 Cb 0.22 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 3ipa n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ipa n GLY 217 N 1.18 0.37 3.52 1.08 0.00 -0.77 -5.01 105.19 105.56 3ipa n GLY 217 Ca 0.18 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 3ipa n GLY 217 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ipa s LEU 218 N -0.31 4.40 -1.05 0.99 2.96 -0.21 -4.99 118.68 120.47 3ipa s LEU 218 Ca 0.00 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.37 3ipa s LEU 218 Cb 0.00 -2.80 0.08 0.00 0.50 0.00 0.00 46.19 43.97 3ipa s LEU 218 CO 0.00 -0.92 1.43 -1.59 -1.32 0.00 0.00 176.35 173.95 3ipa s LYS 219 N 3.16 3.68 0.01 1.98 -2.85 -1.26 -4.40 119.74 120.05 3ipa s LYS 219 Ca 0.26 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 3ipa s LYS 219 Cb -0.14 -5.28 -0.01 0.00 -2.06 0.00 0.00 37.83 30.34 3ipa s LYS 219 CO 0.20 -2.10 -0.02 0.00 0.10 0.00 0.00 175.35 173.52 3ipa s ALA 220 N 4.20 0.11 -0.14 0.59 0.00 -1.26 -4.51 121.76 120.75 3ipa s ALA 220 Ca 0.44 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 3ipa s ALA 220 Cb -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3ipa s ALA 220 CO -0.07 -0.05 0.37 0.21 0.00 0.00 0.00 175.76 176.22 3ipa s LYS 221 N -0.64 4.27 -0.06 0.00 2.20 -0.51 -4.88 119.74 120.12 3ipa s LYS 221 Ca -0.06 0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 55.59 3ipa s LYS 221 Cb -0.04 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3ipa s LYS 221 CO -0.00 0.23 0.57 -1.17 -0.36 0.00 0.00 175.35 174.62 3ipa s LEU 222 N 0.45 4.35 -0.09 5.43 0.20 -1.26 -0.74 118.68 127.03 3ipa s LEU 222 Ca 0.21 1.05 0.04 0.00 0.69 0.00 0.00 54.13 56.11 3ipa s LEU 222 Cb -0.14 -2.87 0.00 0.00 -0.43 0.00 0.00 46.19 42.75 3ipa s LEU 222 CO 0.07 0.03 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.25 3ipa s VAL 223 N 0.27 1.87 0.00 1.68 1.01 0.11 -1.48 120.40 123.86 3ipa s VAL 223 Ca 0.31 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3ipa s VAL 223 Cb -0.17 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3ipa s VAL 223 CO 0.15 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.53 3ipa n SER 224 N 3.48 0.00 0.00 3.32 2.88 0.21 -0.08 113.62 123.43 3ipa n SER 224 Ca -0.19 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 3ipa n SER 224 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3ipa n SER 224 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ipa n GLY 225 N 0.00 6.09 0.14 0.46 0.00 -1.26 -1.79 105.19 108.83 3ipa n GLY 225 Ca 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3ipa n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ipa n ASP 226 N 0.00 0.57 0.00 1.61 5.75 -0.87 -2.75 116.55 120.86 3ipa n ASP 226 Ca 0.00 0.71 0.10 0.00 -0.01 0.00 0.00 54.79 55.60 3ipa n ASP 226 Cb 0.00 -0.81 0.50 0.00 -1.03 0.00 0.00 41.12 39.79 3ipa n ASP 226 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ipa n GLY 227 N -0.81 -1.05 0.56 6.12 0.00 -1.26 -3.42 105.19 105.33 3ipa n GLY 227 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.98 3ipa n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ipa n ILE 228 N -1.35 0.96 -1.75 -0.61 -5.35 -1.11 -2.47 119.36 107.67 3ipa n ILE 228 Ca 0.08 -0.98 -0.42 0.00 -0.27 0.00 0.00 62.75 61.17 3ipa n ILE 228 Cb 0.19 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.62 3ipa n ILE 228 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ipa n VAL 229 N 0.41 3.70 -3.85 7.28 0.24 -1.22 -4.71 118.33 120.19 3ipa n VAL 229 Ca 0.10 -3.15 -0.12 0.00 -2.04 0.00 0.00 64.34 59.13 3ipa n VAL 229 Cb 0.40 -2.57 -0.11 0.00 -1.47 0.00 0.00 33.84 30.09 3ipa n VAL 229 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ipa s SER 230 N 2.73 -0.07 0.55 -1.34 0.15 -1.26 -4.70 113.70 109.76 3ipa s SER 230 Ca 0.49 0.05 0.31 0.00 0.70 0.00 0.00 55.95 57.50 3ipa s SER 230 Cb 0.14 0.27 1.47 0.00 -1.71 0.00 0.00 66.02 66.19 3ipa s SER 230 CO -0.07 -0.22 1.89 -1.13 1.20 0.00 0.00 173.24 174.90 3ipa h ASN 231 N 5.03 0.00 0.20 5.45 -0.73 -1.92 -0.92 115.58 122.69 3ipa h ASN 231 Ca -0.28 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.88 3ipa h ASN 231 Cb 1.20 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.78 3ipa h ASN 231 CO 0.40 0.00 -0.05 -0.33 -0.37 0.00 0.00 177.43 177.09 3ipa h GLU 232 N 0.00 0.00 -0.31 6.67 4.39 -1.95 -0.96 114.58 122.43 3ipa h GLU 232 Ca 0.39 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.10 3ipa h GLU 232 Cb 1.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.27 3ipa h GLU 232 CO -0.00 0.05 0.19 1.25 -1.16 0.00 0.00 179.01 179.34 3ipa h LEU 233 N 0.00 0.33 -1.01 1.33 5.85 -1.44 -1.48 115.31 118.89 3ipa h LEU 233 Ca -0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3ipa h LEU 233 Cb 0.16 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3ipa h LEU 233 CO 0.01 0.24 -0.06 0.00 -0.34 0.00 0.00 178.44 178.28 3ipa h ALA 234 N 1.12 1.18 -0.72 1.25 0.00 -1.34 -0.23 119.26 120.52 3ipa h ALA 234 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ipa h ALA 234 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ipa h ALA 234 CO -0.04 0.53 0.21 0.77 0.00 0.00 0.00 179.25 180.72 3ipa h SER 235 N 0.60 1.06 0.00 0.00 0.02 -1.05 1.00 113.55 115.17 3ipa h SER 235 Ca 0.11 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 3ipa h SER 235 Cb 0.47 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.74 3ipa h SER 235 CO 0.02 0.99 -0.31 0.40 -1.14 0.00 0.00 176.83 176.80 3ipa h ILE 236 N 1.08 1.53 0.00 3.27 2.04 -1.09 -3.36 117.51 120.98 3ipa h ILE 236 Ca 0.23 -1.98 -0.14 0.00 1.00 0.00 0.00 64.86 63.97 3ipa h ILE 236 Cb 0.32 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 3ipa h ILE 236 CO -0.00 0.55 -0.65 0.00 0.00 0.00 0.00 178.15 178.04 3ipa h ALA 237 N 0.26 0.73 -0.46 1.87 0.00 -0.98 -3.46 119.26 117.21 3ipa h ALA 237 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ipa h ALA 237 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ipa h ALA 237 CO 0.06 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.53 3ipa n GLY 238 N 0.79 -0.53 0.33 0.00 0.00 0.34 -3.70 105.19 102.42 3ipa n GLY 238 Ca 0.00 -1.11 0.20 0.00 0.00 0.00 0.00 46.02 45.11 3ipa n GLY 238 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ipa h ASP 239 N 0.00 0.00 0.21 1.61 3.32 -1.96 -1.34 116.42 118.26 3ipa h ASP 239 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ipa h ASP 239 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ipa h ASP 239 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3ipa n ALA 240 N -2.10 1.22 0.26 3.45 0.00 -1.24 -2.14 120.51 119.95 3ipa n ALA 240 Ca -0.02 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3ipa n ALA 240 Cb 0.14 -1.33 0.70 0.00 0.00 0.00 0.00 19.45 18.95 3ipa n ALA 240 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3ipa h VAL 241 N 0.00 0.55 -2.14 0.00 3.04 -1.43 -3.45 116.25 112.83 3ipa h VAL 241 Ca 0.00 -0.61 -0.60 0.00 -1.01 0.00 0.00 66.70 64.48 3ipa h VAL 241 Cb 0.11 1.40 0.05 0.00 -2.01 0.00 0.00 31.29 30.84 3ipa h VAL 241 CO 0.00 0.13 0.75 1.21 -1.01 0.00 0.00 177.57 178.65 3ipa n GLU 242 N -3.60 1.95 0.00 4.17 2.13 -0.91 -1.46 120.64 122.92 3ipa n GLU 242 Ca -0.02 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.51 3ipa n GLU 242 Cb 0.26 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.52 3ipa n GLU 242 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ipa n GLY 243 N 3.31 1.62 3.70 8.31 0.00 -0.36 -4.99 105.19 116.78 3ipa n GLY 243 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3ipa n GLY 243 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ipa n THR 244 N -2.00 2.37 -4.49 2.61 -1.04 -0.53 -4.66 114.28 106.54 3ipa n THR 244 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 3ipa n THR 244 Cb 0.00 -1.55 -0.12 0.00 -1.82 0.00 0.00 70.33 66.83 3ipa n THR 244 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3ipa s LEU 245 N -1.43 2.60 -0.01 -4.42 1.43 -0.55 -0.36 118.68 115.94 3ipa s LEU 245 Ca 0.59 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.91 3ipa s LEU 245 Cb -0.53 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.26 3ipa s LEU 245 CO 0.59 0.22 0.58 0.54 0.23 0.00 0.00 176.35 178.51 3ipa s ASN 246 N -1.79 -0.53 0.29 2.29 4.22 -0.48 -0.62 114.94 118.33 3ipa s ASN 246 Ca 0.16 0.45 -0.15 0.00 -2.14 0.00 0.00 52.86 51.17 3ipa s ASN 246 Cb -0.10 0.49 -0.09 0.00 1.28 0.00 0.00 41.25 42.83 3ipa s ASN 246 CO 0.07 -0.63 0.71 0.42 -2.04 0.00 0.00 177.10 175.64 3ipa s THR 247 N -1.64 4.68 0.09 0.54 -4.23 -0.74 -0.01 115.64 114.32 3ipa s THR 247 Ca -0.09 0.97 -0.26 0.00 -1.18 0.00 0.00 61.69 61.13 3ipa s THR 247 Cb -0.01 -3.66 0.08 0.00 1.34 0.00 0.00 72.50 70.25 3ipa s THR 247 CO 0.05 -0.09 0.77 0.12 -0.54 0.00 0.00 174.62 174.93 3ipa s PHE 248 N -1.87 -0.40 0.45 3.99 5.36 -0.77 -2.05 117.98 122.69 3ipa s PHE 248 Ca 0.51 0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 56.61 3ipa s PHE 248 Cb -0.12 0.56 0.11 0.00 -0.34 0.00 0.00 43.02 43.24 3ipa s PHE 248 CO 0.18 -0.72 0.40 0.41 -1.46 0.00 0.00 175.22 174.04 3ipa n GLY 249 N -0.32 -2.55 3.62 13.12 0.00 -1.26 -1.21 105.19 116.58 3ipa n GLY 249 Ca -0.12 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3ipa n GLY 249 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ipa n PRO 250 N -2.72 1.23 -2.82 1.61 -0.02 -1.26 -4.71 135.00 126.31 3ipa n PRO 250 Ca 0.06 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 3ipa n PRO 250 Cb 0.22 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3ipa n PRO 250 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ipa s ASP 251 N -0.90 6.38 0.34 2.55 -1.08 -1.26 -4.92 116.67 117.78 3ipa s ASP 251 Ca 0.67 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.73 3ipa s ASP 251 Cb -0.50 -2.45 1.01 0.00 -1.46 0.00 0.00 42.92 39.53 3ipa s ASP 251 CO 0.54 -1.21 1.79 1.55 0.52 0.00 0.00 175.17 178.35 3ipa h PRO 252 N 9.28 0.00 0.00 4.34 0.13 -1.90 -2.14 132.00 141.70 3ipa h PRO 252 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ipa h PRO 252 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ipa h PRO 252 CO 1.08 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.10 3ipa n THR 253 N -2.52 0.94 1.08 1.56 -2.24 -1.26 -2.04 114.28 109.80 3ipa n THR 253 Ca 0.02 0.42 0.12 0.00 -2.27 0.00 0.00 64.05 62.34 3ipa n THR 253 Cb 0.30 -1.37 0.15 0.00 -2.10 0.00 0.00 70.33 67.31 3ipa n THR 253 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ipa n LEU 254 N -2.20 1.22 -4.71 3.22 4.77 -0.81 -4.84 117.00 113.65 3ipa n LEU 254 Ca 0.01 -0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 3ipa n LEU 254 Cb 0.15 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3ipa n LEU 254 CO 0.15 0.24 0.97 -0.13 -1.33 0.00 0.00 177.39 177.30 3ipa s ARG 255 N -2.68 4.38 0.34 3.23 0.52 -0.87 -4.91 118.95 118.96 3ipa s ARG 255 Ca 0.17 1.90 0.06 0.00 -0.52 0.00 0.00 55.73 57.34 3ipa s ARG 255 Cb 0.18 -3.33 0.72 0.00 0.52 0.00 0.00 34.95 33.04 3ipa s ARG 255 CO 0.63 -0.35 1.90 -1.35 0.02 0.00 0.00 175.30 176.15 3ipa h PRO 256 N 6.87 0.78 0.00 3.54 0.11 -1.90 -0.26 132.00 141.14 3ipa h PRO 256 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ipa h PRO 256 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ipa h PRO 256 CO 0.84 0.52 0.00 -0.85 -0.21 0.00 0.00 178.00 178.29 3ipa n GLU 257 N -4.53 0.15 -0.21 1.05 0.00 -1.26 -2.17 120.64 113.67 3ipa n GLU 257 Ca 0.15 0.47 0.12 0.00 0.00 0.00 0.00 57.16 57.89 3ipa n GLU 257 Cb 0.34 -1.84 0.25 0.00 0.00 0.00 0.00 31.44 30.19 3ipa n GLU 257 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3ipa n ASN 258 N -2.14 3.31 -0.00 -1.84 3.02 -0.11 -4.61 115.26 112.88 3ipa n ASN 258 Ca 0.01 -1.97 -0.10 0.00 -0.03 0.00 0.00 54.58 52.50 3ipa n ASN 258 Cb 0.16 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 3ipa n ASN 258 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3ipa h LYS 259 N 4.12 -0.05 -0.54 3.52 3.64 -1.51 0.18 116.57 125.93 3ipa h LYS 259 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3ipa h LYS 259 Cb 0.92 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3ipa h LYS 259 CO 0.00 -0.03 -0.06 1.49 -2.27 0.00 0.00 179.45 178.58 3ipa h GLU 260 N -0.05 1.00 -0.56 1.90 4.81 -1.84 -1.97 114.58 117.86 3ipa h GLU 260 Ca 0.07 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3ipa h GLU 260 Cb 0.15 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3ipa h GLU 260 CO -0.15 1.03 0.33 1.25 -0.73 0.00 0.00 179.01 180.73 3ipa h LEU 261 N 0.87 0.69 -0.64 1.64 5.85 -1.74 -0.46 115.31 121.52 3ipa h LEU 261 Ca 0.15 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3ipa h LEU 261 Cb 0.62 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ipa h LEU 261 CO 0.04 0.56 0.10 0.58 -0.34 0.00 0.00 178.44 179.39 3ipa h VAL 262 N 0.76 1.26 -0.62 1.05 2.07 -0.86 -2.02 116.25 117.89 3ipa h VAL 262 Ca 0.20 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3ipa h VAL 262 Cb 0.01 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3ipa h VAL 262 CO -0.04 0.38 0.33 -0.33 0.02 0.00 0.00 177.57 177.93 3ipa h GLU 263 N 0.97 0.86 -0.45 1.57 5.08 -0.94 -2.24 114.58 119.42 3ipa h GLU 263 Ca 0.19 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3ipa h GLU 263 Cb 0.43 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3ipa h GLU 263 CO 0.01 0.64 0.07 -0.22 -1.00 0.00 0.00 179.01 178.51 3ipa h LYS 264 N 0.86 0.74 -0.28 2.33 3.64 -0.62 -1.16 116.57 122.08 3ipa h LYS 264 Ca 0.22 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3ipa h LYS 264 Cb 0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3ipa h LYS 264 CO -0.03 0.76 0.10 0.74 -2.27 0.00 0.00 179.45 178.75 3ipa h PHE 265 N 0.60 0.19 -0.34 1.91 0.04 -1.05 -2.14 116.94 116.16 3ipa h PHE 265 Ca 0.14 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 3ipa h PHE 265 Cb 0.38 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3ipa h PHE 265 CO 0.03 0.09 0.05 0.87 -0.60 0.00 0.00 178.31 178.75 3ipa h LYS 266 N 0.23 0.50 0.00 1.51 1.57 -1.12 0.45 116.57 119.72 3ipa h LYS 266 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ipa h LYS 266 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ipa h LYS 266 CO -0.11 0.49 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 3ipa h ALA 267 N 1.57 1.00 -0.29 3.86 0.00 -0.82 -1.65 119.26 122.94 3ipa h ALA 267 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ipa h ALA 267 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ipa h ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3ipa n ALA 268 N -1.90 2.45 -0.58 0.00 0.00 0.04 -4.95 120.51 115.57 3ipa n ALA 268 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3ipa n ALA 268 Cb 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3ipa n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipa n GLY 269 N 1.42 0.65 3.10 0.00 0.00 -0.62 -5.07 105.19 104.67 3ipa n GLY 269 Ca 0.18 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3ipa n GLY 269 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ipa s PHE 270 N -2.00 1.57 -0.51 1.61 5.36 -0.57 -4.99 117.98 118.46 3ipa s PHE 270 Ca 0.00 -0.46 -0.22 0.00 -0.96 0.00 0.00 56.93 55.29 3ipa s PHE 270 Cb 0.00 -1.07 0.04 0.00 -0.34 0.00 0.00 43.02 41.65 3ipa s PHE 270 CO 0.00 -0.17 0.79 1.21 -1.46 0.00 0.00 175.22 175.58 3ipa s ASN 271 N 0.15 6.31 -0.50 6.13 2.47 -1.26 -2.54 114.94 125.70 3ipa s ASN 271 Ca -0.05 -0.48 -0.07 0.00 0.42 0.00 0.00 52.86 52.68 3ipa s ASN 271 Cb -0.12 -2.37 -0.17 0.00 -1.45 0.00 0.00 41.25 37.14 3ipa s ASN 271 CO 0.02 -1.03 3.32 -0.81 -3.72 0.00 0.00 177.10 174.89 3ipa n PRO 272 N 6.82 2.58 -1.59 0.43 -0.04 -1.26 -4.93 135.00 137.00 3ipa n PRO 272 Ca -0.01 -1.55 -0.30 0.00 -0.04 0.00 0.00 63.50 61.60 3ipa n PRO 272 Cb 0.47 -2.24 0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3ipa n PRO 272 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3ipa s GLU 273 N 0.89 2.47 5.25 0.54 -1.05 -1.26 -4.42 118.70 121.13 3ipa s GLU 273 Ca 0.66 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 56.23 3ipa s GLU 273 Cb 0.29 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 32.02 3ipa s GLU 273 CO -0.04 -1.37 0.00 0.00 0.95 0.00 0.00 175.26 174.79 3ipa n ALA 274 N -3.28 0.00 1.28 -0.84 0.00 -1.26 -1.96 120.51 114.45 3ipa n ALA 274 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3ipa n ALA 274 Cb 0.55 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.67 3ipa n ALA 274 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ipa n TYR 275 N 6.37 0.00 -0.05 0.00 4.01 -1.26 -3.97 117.16 122.25 3ipa n TYR 275 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3ipa n TYR 275 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 39.34 38.78 3ipa n TYR 275 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ipa h THR 276 N 0.00 0.66 0.00 -0.72 2.02 -1.55 -0.06 112.91 113.26 3ipa h THR 276 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ipa h THR 276 Cb 0.19 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3ipa h THR 276 CO 0.00 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.82 3ipa h LEU 277 N -0.07 0.00 -0.73 2.58 3.38 -1.77 -1.59 115.31 117.10 3ipa h LEU 277 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3ipa h LEU 277 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ipa h LEU 277 CO -0.28 0.00 -0.47 1.88 0.09 0.00 0.00 178.44 179.66 3ipa h TYR 278 N 0.00 0.47 -0.05 1.13 0.05 -1.47 -0.76 116.97 116.34 3ipa h TYR 278 Ca 0.00 -0.15 -0.17 0.00 0.05 0.00 0.00 58.73 58.47 3ipa h TYR 278 Cb 0.79 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 38.45 3ipa h TYR 278 CO 0.00 0.79 -0.63 1.03 -1.05 0.00 0.00 178.16 178.30 3ipa h SER 279 N 0.31 0.64 -0.54 3.88 0.87 -0.80 -2.28 113.55 115.63 3ipa h SER 279 Ca 0.02 -0.70 0.09 0.00 -1.23 0.00 0.00 61.79 59.97 3ipa h SER 279 Cb 0.95 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 3ipa h SER 279 CO 0.08 1.25 0.13 0.22 -0.53 0.00 0.00 176.83 177.98 3ipa h TYR 280 N 0.08 0.21 -0.25 2.24 3.20 -1.28 -2.23 116.97 118.94 3ipa h TYR 280 Ca -0.06 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 3ipa h TYR 280 Cb 1.30 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3ipa h TYR 280 CO 0.12 0.01 -0.17 0.00 -1.64 0.00 0.00 178.16 176.48 3ipa h ALA 281 N 1.42 1.25 -0.73 1.82 0.00 -1.12 -2.01 119.26 119.88 3ipa h ALA 281 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ipa h ALA 281 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ipa h ALA 281 CO -0.34 0.49 0.44 0.00 0.00 0.00 0.00 179.25 179.84 3ipa h ALA 282 N 1.43 0.93 -0.57 0.00 0.00 -0.81 0.12 119.26 120.35 3ipa h ALA 282 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ipa h ALA 282 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ipa h ALA 282 CO 0.03 0.40 0.26 1.98 0.00 0.00 0.00 179.25 181.93 3ipa h MET 283 N 1.00 0.83 -0.95 0.00 -1.53 -1.09 -2.17 114.93 111.02 3ipa h MET 283 Ca 0.26 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.39 3ipa h MET 283 Cb -0.03 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 30.82 3ipa h MET 283 CO -0.05 0.69 0.60 1.96 0.14 0.00 0.00 176.91 180.25 3ipa h GLN 284 N 0.78 1.28 -0.49 0.39 4.20 -0.85 -1.70 115.11 118.72 3ipa h GLN 284 Ca 0.20 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3ipa h GLN 284 Cb 0.14 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3ipa h GLN 284 CO -0.02 0.87 0.19 0.00 -0.67 0.00 0.00 178.83 179.20 3ipa h ALA 285 N 1.35 0.64 -0.19 3.87 0.00 -0.44 0.42 119.26 124.91 3ipa h ALA 285 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ipa h ALA 285 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ipa h ALA 285 CO -0.07 0.25 0.06 0.82 0.00 0.00 0.00 179.25 180.31 3ipa h ILE 286 N 0.65 0.95 -0.39 0.00 2.04 -1.11 -0.47 117.51 119.18 3ipa h ILE 286 Ca 0.16 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3ipa h ILE 286 Cb 0.20 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3ipa h ILE 286 CO -0.01 0.03 0.22 0.00 0.00 0.00 0.00 178.15 178.38 3ipa h ALA 287 N 1.12 0.50 -0.57 1.87 0.00 -1.05 -1.02 119.26 120.11 3ipa h ALA 287 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ipa h ALA 287 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ipa h ALA 287 CO -0.09 0.02 0.23 0.78 0.00 0.00 0.00 179.25 180.19 3ipa h GLY 288 N 0.50 0.91 1.15 0.00 0.00 -0.76 -1.85 103.07 103.02 3ipa h GLY 288 Ca 0.14 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3ipa h GLY 288 CO -0.02 0.46 -0.13 0.00 0.00 0.00 0.00 176.54 176.85 3ipa h ALA 289 N 1.08 0.79 -0.66 3.60 0.00 -0.91 -1.86 119.26 121.30 3ipa h ALA 289 Ca 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3ipa h ALA 289 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ipa h ALA 289 CO -0.02 0.66 0.26 0.00 0.00 0.00 0.00 179.25 180.15 3ipa h ALA 290 N 0.97 1.22 -0.53 0.00 0.00 -1.05 0.17 119.26 120.04 3ipa h ALA 290 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ipa h ALA 290 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ipa h ALA 290 CO 0.05 0.57 0.22 -0.22 0.00 0.00 0.00 179.25 179.87 3ipa h LYS 291 N 0.95 0.79 -0.22 0.00 3.64 -1.04 -0.37 116.57 120.32 3ipa h LYS 291 Ca 0.22 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3ipa h LYS 291 Cb 0.19 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3ipa h LYS 291 CO -0.02 0.69 -0.35 0.00 -2.27 0.00 0.00 179.45 177.50 3ipa h ALA 292 N 1.06 0.99 0.00 5.00 0.00 -0.92 -3.10 119.26 122.30 3ipa h ALA 292 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ipa h ALA 292 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ipa h ALA 292 CO -0.02 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 3ipa h ALA 293 N 1.23 1.00 -1.89 0.00 0.00 -0.38 -3.47 119.26 115.74 3ipa h ALA 293 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 3ipa h ALA 293 Cb 0.80 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3ipa h ALA 293 CO 0.06 0.00 -0.40 0.41 0.00 0.00 0.00 179.25 179.32 3ipa n GLY 294 N 1.15 0.39 3.42 0.00 0.00 -0.17 -4.98 105.19 105.00 3ipa n GLY 294 Ca 0.04 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 3ipa n GLY 294 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ipa s SER 295 N -2.43 -0.49 -0.04 1.61 0.15 -1.07 -5.03 113.70 106.40 3ipa s SER 295 Ca 0.00 0.55 0.16 0.00 0.70 0.00 0.00 55.95 57.36 3ipa s SER 295 Cb 0.00 0.54 0.50 0.00 -1.71 0.00 0.00 66.02 65.35 3ipa s SER 295 CO 0.00 -0.51 1.42 1.33 1.20 0.00 0.00 173.24 176.69 3ipa n VAL 296 N 1.25 1.27 -2.21 4.45 0.24 -1.26 -4.44 118.33 117.64 3ipa n VAL 296 Ca -0.19 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.34 60.57 3ipa n VAL 296 Cb 0.57 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 3ipa n VAL 296 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ipa s GLU 297 N -1.33 4.29 0.27 7.34 2.12 -1.26 -4.90 118.70 125.23 3ipa s GLU 297 Ca 0.38 1.99 0.01 0.00 0.36 0.00 0.00 54.97 57.71 3ipa s GLU 297 Cb 0.22 -3.52 0.58 0.00 0.26 0.00 0.00 34.13 31.66 3ipa s GLU 297 CO 0.22 -0.55 1.78 -1.35 -0.54 0.00 0.00 175.26 174.82 3ipa h PRO 298 N 7.68 0.71 -0.52 4.30 0.11 -1.86 0.24 132.00 142.66 3ipa h PRO 298 Ca -0.39 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3ipa h PRO 298 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ipa h PRO 298 CO 0.90 0.47 0.15 0.93 -0.21 0.00 0.00 178.00 180.24 3ipa h GLU 299 N 0.73 0.77 0.04 1.05 3.07 -1.91 -0.15 114.58 118.19 3ipa h GLU 299 Ca 0.49 -0.14 -0.23 0.00 -0.50 0.00 0.00 59.36 58.98 3ipa h GLU 299 Cb 0.66 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3ipa h GLU 299 CO -0.34 0.68 -1.02 0.87 -1.40 0.00 0.00 179.01 177.80 3ipa h LYS 300 N 0.75 0.31 -0.62 2.33 1.57 -1.53 -2.81 116.57 116.57 3ipa h LYS 300 Ca 0.17 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 3ipa h LYS 300 Cb 0.24 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ipa h LYS 300 CO -0.01 1.10 0.12 0.28 -0.57 0.00 0.00 179.45 180.38 3ipa h VAL 301 N 0.15 1.25 -0.47 0.50 2.07 -0.75 -1.91 116.25 117.09 3ipa h VAL 301 Ca -0.09 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ipa h VAL 301 Cb 1.69 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3ipa h VAL 301 CO 0.17 0.35 0.29 0.00 0.02 0.00 0.00 177.57 178.40 3ipa h ALA 302 N 1.19 0.59 -0.75 1.67 0.00 -0.95 -0.21 119.26 120.81 3ipa h ALA 302 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ipa h ALA 302 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ipa h ALA 302 CO 0.01 -0.01 0.35 0.93 0.00 0.00 0.00 179.25 180.52 3ipa h GLU 303 N 0.58 1.08 -0.62 0.00 5.08 -1.29 -2.68 114.58 116.73 3ipa h GLU 303 Ca 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3ipa h GLU 303 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3ipa h GLU 303 CO -0.07 0.85 0.06 0.00 -1.00 0.00 0.00 179.01 178.85 3ipa h ALA 304 N 1.17 0.93 -0.73 3.43 0.00 -0.94 -2.63 119.26 120.49 3ipa h ALA 304 Ca 0.26 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3ipa h ALA 304 Cb 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3ipa h ALA 304 CO -0.03 0.65 0.48 -0.07 0.00 0.00 0.00 179.25 180.28 3ipa h LEU 305 N 0.97 0.63 -0.38 0.00 3.38 -0.72 -1.63 115.31 117.56 3ipa h LEU 305 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ipa h LEU 305 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ipa h LEU 305 CO 0.02 0.40 -0.06 0.29 0.09 0.00 0.00 178.44 179.18 3ipa n LYS 306 N -4.49 1.03 -0.10 1.13 5.02 -1.00 -3.74 118.16 116.01 3ipa n LYS 306 Ca 0.11 -0.38 -0.18 0.00 -2.02 0.00 0.00 58.31 55.85 3ipa n LYS 306 Cb 0.27 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 3ipa n LYS 306 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ipa n LYS 307 N -0.65 0.44 -1.76 1.97 4.81 -0.67 -4.83 118.16 117.47 3ipa n LYS 307 Ca 0.18 0.15 -0.02 0.00 -0.87 0.00 0.00 58.31 57.75 3ipa n LYS 307 Cb 0.26 -1.28 -0.00 0.00 0.02 0.00 0.00 35.03 34.03 3ipa n LYS 307 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ipa n GLY 308 N 2.12 3.22 3.28 3.14 0.00 -0.87 -5.02 105.19 111.06 3ipa n GLY 308 Ca -0.37 -2.19 -0.25 0.00 0.00 0.00 0.00 46.02 43.21 3ipa n GLY 308 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ipa s SER 309 N -1.24 2.61 -0.02 1.61 0.01 -1.26 -4.44 113.70 110.98 3ipa s SER 309 Ca 0.02 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.64 3ipa s SER 309 Cb -0.00 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3ipa s SER 309 CO 0.01 0.12 0.05 -0.36 0.41 0.00 0.00 173.24 173.47 3ipa s PHE 310 N -1.00 -0.04 0.18 2.43 0.40 0.16 -4.93 117.98 115.18 3ipa s PHE 310 Ca 0.08 0.10 -0.30 0.00 -0.60 0.00 0.00 56.93 56.20 3ipa s PHE 310 Cb -0.10 0.01 -0.08 0.00 0.51 0.00 0.00 43.02 43.36 3ipa s PHE 310 CO 0.03 -0.04 1.29 -1.25 0.70 0.00 0.00 175.22 175.95 3ipa s PRO 311 N -0.10 4.40 0.25 0.24 0.04 -1.26 -0.44 135.00 138.13 3ipa s PRO 311 Ca -0.01 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 3ipa s PRO 311 Cb -0.01 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 3ipa s PRO 311 CO 0.00 -0.25 0.33 0.95 0.04 0.00 0.00 177.00 178.07 3ipa s THR 312 N 0.28 0.00 -0.85 1.26 -4.23 -1.11 -4.75 115.64 106.25 3ipa s THR 312 Ca 0.57 -1.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.50 3ipa s THR 312 Cb -0.35 -2.42 0.13 0.00 1.34 0.00 0.00 72.50 71.19 3ipa s THR 312 CO 0.36 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.89 3ipa n ALA 313 N -0.39 1.51 1.21 3.99 0.00 -1.26 -1.15 120.51 124.42 3ipa n ALA 313 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3ipa n ALA 313 Cb 0.63 -1.23 0.27 0.00 0.00 0.00 0.00 19.45 19.13 3ipa n ALA 313 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ipa n LEU 314 N -1.69 2.06 0.00 0.00 4.77 -1.26 -4.90 117.00 115.97 3ipa n LEU 314 Ca 0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3ipa n LEU 314 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3ipa n LEU 314 CO 0.12 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3ipa n GLY 315 N 1.30 0.52 3.68 -0.72 0.00 -0.30 -4.96 105.19 104.71 3ipa n GLY 315 Ca 0.15 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3ipa n GLY 315 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ipa s GLU 316 N -1.04 4.18 0.02 1.61 2.12 -1.26 -2.75 118.70 121.58 3ipa s GLU 316 Ca 0.00 2.40 0.02 0.00 0.36 0.00 0.00 54.97 57.76 3ipa s GLU 316 Cb 0.00 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3ipa s GLU 316 CO 0.00 -0.80 -0.01 -1.50 -0.54 0.00 0.00 175.26 172.40 3ipa s ILE 317 N 3.13 4.02 0.24 -3.70 2.07 0.41 -4.88 121.20 122.49 3ipa s ILE 317 Ca 0.77 -0.72 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 3ipa s ILE 317 Cb -0.40 -2.81 -0.02 0.00 0.13 0.00 0.00 42.46 39.36 3ipa s ILE 317 CO 0.34 0.33 0.36 -0.94 -1.91 0.00 0.00 174.94 173.12 3ipa s SER 318 N -1.68 0.04 0.01 4.50 1.04 -1.26 -0.66 113.70 115.69 3ipa s SER 318 Ca 0.20 -1.11 0.02 0.00 0.48 0.00 0.00 55.95 55.54 3ipa s SER 318 Cb -0.11 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3ipa s SER 318 CO 0.11 -1.05 -0.07 -0.36 0.98 0.00 0.00 173.24 172.86 3ipa s PHE 319 N -4.02 0.58 0.89 5.02 0.08 -1.25 -0.36 117.98 118.93 3ipa s PHE 319 Ca 0.28 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.95 3ipa s PHE 319 Cb 0.02 -0.36 0.20 0.00 -0.57 0.00 0.00 43.02 42.31 3ipa s PHE 319 CO 0.11 -0.03 1.22 -0.40 -0.10 0.00 0.00 175.22 176.01 3ipa n ASP 320 N 2.36 0.32 0.17 1.36 5.68 -0.11 -4.65 116.55 121.69 3ipa n ASP 320 Ca -0.17 -1.58 0.13 0.00 -0.50 0.00 0.00 54.79 52.67 3ipa n ASP 320 Cb 0.57 -0.91 0.58 0.00 -1.14 0.00 0.00 41.12 40.22 3ipa n ASP 320 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ipa h GLU 321 N 0.00 0.00 0.00 0.11 4.39 -1.90 -1.78 114.58 115.41 3ipa h GLU 321 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3ipa h GLU 321 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3ipa h GLU 321 CO 0.30 0.00 -0.69 1.63 -1.16 0.00 0.00 179.01 179.09 3ipa n LYS 322 N -2.40 0.04 0.00 2.33 5.02 -1.26 -4.95 118.16 116.93 3ipa n LYS 322 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3ipa n LYS 322 Cb 0.19 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3ipa n LYS 322 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ipa n GLY 323 N 1.48 0.67 3.75 0.72 0.00 -0.67 -4.77 105.19 106.37 3ipa n GLY 323 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3ipa n GLY 323 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ipa s ASP 324 N -2.55 7.59 0.45 1.61 1.01 -1.26 -1.99 116.67 121.53 3ipa s ASP 324 Ca 0.00 1.88 -0.21 0.00 0.71 0.00 0.00 52.55 54.93 3ipa s ASP 324 Cb 0.00 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 3ipa s ASP 324 CO 0.00 0.15 1.00 -2.16 0.21 0.00 0.00 175.17 174.38 3ipa s PRO 325 N -1.08 4.01 -1.07 8.23 0.04 -1.25 -0.93 135.00 142.95 3ipa s PRO 325 Ca 0.40 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 3ipa s PRO 325 Cb -0.25 -2.18 0.24 0.00 0.04 0.00 0.00 34.50 32.35 3ipa s PRO 325 CO 0.31 -0.24 1.11 0.15 0.04 0.00 0.00 177.00 178.36 3ipa s LYS 326 N -3.12 4.04 0.27 4.56 1.02 0.51 -4.87 119.74 122.15 3ipa s LYS 326 Ca 0.64 -2.89 0.03 0.00 0.02 0.00 0.00 55.97 53.77 3ipa s LYS 326 Cb -0.14 -4.65 -0.06 0.00 -0.52 0.00 0.00 37.83 32.47 3ipa s LYS 326 CO 0.18 -1.37 0.05 -0.51 -0.92 0.00 0.00 175.35 172.78 3ipa s LEU 327 N -0.28 2.00 0.61 3.17 2.01 -1.26 -4.44 118.68 120.48 3ipa s LEU 327 Ca 0.31 -1.33 -0.19 0.00 0.01 0.00 0.00 54.13 52.93 3ipa s LEU 327 Cb -0.08 -0.21 -0.04 0.00 0.01 0.00 0.00 46.19 45.87 3ipa s LEU 327 CO -0.07 -0.62 1.15 -2.65 1.01 0.00 0.00 176.35 175.17 3ipa n PRO 328 N -0.53 1.12 -1.05 1.29 -0.02 -1.26 -4.99 135.00 129.55 3ipa n PRO 328 Ca -0.02 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 3ipa n PRO 328 Cb 0.66 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.87 3ipa n PRO 328 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ipa n GLY 329 N 1.07 -1.13 3.77 -1.23 0.00 -1.26 -4.67 105.19 101.74 3ipa n GLY 329 Ca 0.14 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 3ipa n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ipa s TYR 330 N -2.41 3.21 0.23 1.61 2.02 -1.26 -4.25 117.35 116.50 3ipa s TYR 330 Ca 0.39 1.61 0.05 0.00 -0.37 0.00 0.00 57.07 58.75 3ipa s TYR 330 Cb -0.01 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.21 3ipa s TYR 330 CO 0.27 -0.97 -0.06 0.14 -1.57 0.00 0.00 175.55 173.36 3ipa s VAL 331 N -1.45 1.36 -0.13 0.71 -7.23 -0.35 -4.94 120.40 108.37 3ipa s VAL 331 Ca 0.55 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 3ipa s VAL 331 Cb -0.28 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 3ipa s VAL 331 CO 0.35 -0.42 0.32 -0.32 -0.31 0.00 0.00 175.10 174.73 3ipa s MET 332 N -3.77 4.15 0.20 4.82 1.75 -1.26 -1.85 119.30 123.34 3ipa s MET 332 Ca 0.26 0.17 0.08 0.00 -1.25 0.00 0.00 55.69 54.96 3ipa s MET 332 Cb 0.04 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 3ipa s MET 332 CO 0.08 0.34 -0.01 0.71 -0.65 0.00 0.00 175.02 175.49 3ipa s TYR 333 N 0.12 2.77 0.01 4.11 2.02 0.98 -1.81 117.35 125.56 3ipa s TYR 333 Ca 0.19 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.78 3ipa s TYR 333 Cb -0.14 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 3ipa s TYR 333 CO 0.06 0.54 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.39 3ipa s GLU 334 N -3.14 1.46 -0.21 -0.62 2.12 0.23 -1.38 118.70 117.15 3ipa s GLU 334 Ca 0.28 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 54.58 3ipa s GLU 334 Cb -0.08 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.82 3ipa s GLU 334 CO 0.18 0.39 0.80 -1.58 -0.54 0.00 0.00 175.26 174.52 3ipa s TRP 335 N -0.61 3.35 0.16 5.30 0.52 0.51 -0.82 118.94 127.35 3ipa s TRP 335 Ca 0.07 1.14 -0.12 0.00 0.02 0.00 0.00 56.10 57.21 3ipa s TRP 335 Cb -0.08 -3.01 0.01 0.00 -1.15 0.00 0.00 33.47 29.24 3ipa s TRP 335 CO 0.00 -0.32 0.36 0.15 0.02 0.00 0.00 176.95 177.16 3ipa s LYS 336 N 2.51 1.20 0.05 4.98 1.02 -0.48 -1.22 119.74 127.80 3ipa s LYS 336 Ca 0.35 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 3ipa s LYS 336 Cb -0.16 0.43 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 3ipa s LYS 336 CO 0.09 -0.46 1.44 0.15 -0.92 0.00 0.00 175.35 175.65 3ipa s LYS 337 N -3.91 4.28 0.92 1.68 1.02 -1.26 -0.88 119.74 121.58 3ipa s LYS 337 Ca 0.12 2.07 -0.12 0.00 0.02 0.00 0.00 55.97 58.06 3ipa s LYS 337 Cb 0.02 -3.46 0.20 0.00 -0.52 0.00 0.00 37.83 34.06 3ipa s LYS 337 CO -0.03 -0.56 1.25 0.20 -0.92 0.00 0.00 175.35 175.30 3ipa s GLY 338 N 1.70 1.79 0.58 -3.33 0.00 0.69 -4.88 107.32 103.87 3ipa s GLY 338 Ca 0.66 -1.42 0.28 0.00 0.00 0.00 0.00 44.72 44.24 3ipa s GLY 338 CO 0.29 -0.67 2.10 -2.55 0.00 0.00 0.00 173.10 172.27 3ipa h PRO 339 N -1.41 0.00 -0.25 2.90 0.11 -1.95 0.29 132.00 131.68 3ipa h PRO 339 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ipa h PRO 339 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ipa h PRO 339 CO 0.35 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.74 3ipa n ASP 340 N -3.85 1.72 0.00 -2.05 3.85 -1.26 -4.91 116.55 110.05 3ipa n ASP 340 Ca 0.02 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.25 3ipa n ASP 340 Cb 0.33 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 3ipa n ASP 340 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ipa n GLY 341 N 1.08 0.80 3.79 6.12 0.00 0.09 -5.04 105.19 112.03 3ipa n GLY 341 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3ipa n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ipa s LYS 342 N -0.24 3.12 0.21 1.61 1.02 -1.26 -4.77 119.74 119.44 3ipa s LYS 342 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 3ipa s LYS 342 Cb 0.00 -2.90 -0.09 0.00 -0.52 0.00 0.00 37.83 34.31 3ipa s LYS 342 CO 0.00 0.67 1.40 -0.06 -0.92 0.00 0.00 175.35 176.44 3ipa s PHE 343 N -1.15 3.13 0.28 3.18 0.08 -1.26 -0.22 117.98 122.01 3ipa s PHE 343 Ca 0.21 1.05 -0.18 0.00 0.12 0.00 0.00 56.93 58.13 3ipa s PHE 343 Cb -0.12 -3.74 0.02 0.00 -0.57 0.00 0.00 43.02 38.61 3ipa s PHE 343 CO 0.12 -2.43 0.65 -0.08 -0.10 0.00 0.00 175.22 173.38 3ipa s THR 344 N 0.24 0.00 -0.12 0.64 -1.32 -0.06 -4.87 115.64 110.16 3ipa s THR 344 Ca 0.60 -1.12 -0.25 0.00 -1.21 0.00 0.00 61.69 59.71 3ipa s THR 344 Cb -0.40 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 3ipa s THR 344 CO 0.39 0.00 0.79 -0.72 -2.21 0.00 0.00 174.62 172.87 3ipa s TYR 345 N -3.81 3.49 -0.06 9.09 -0.85 -1.26 -1.39 117.35 122.57 3ipa s TYR 345 Ca 0.15 1.28 0.03 0.00 -0.52 0.00 0.00 57.07 58.01 3ipa s TYR 345 Cb -0.04 -2.94 0.00 0.00 0.38 0.00 0.00 41.96 39.36 3ipa s TYR 345 CO 0.08 -0.10 -0.17 0.42 -1.52 0.00 0.00 175.55 174.27 3ipa s ILE 346 N 1.56 1.43 0.33 -3.49 -1.09 -0.00 -4.89 121.20 115.05 3ipa s ILE 346 Ca 0.39 -0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 57.84 3ipa s ILE 346 Cb -0.17 -1.26 -0.11 0.00 -1.58 0.00 0.00 42.46 39.34 3ipa s ILE 346 CO 0.16 0.42 1.42 -1.58 -1.23 0.00 0.00 174.94 174.12 3ipa s GLN 347 N 0.33 4.23 0.00 2.79 0.74 -1.26 -0.60 119.66 125.89 3ipa s GLN 347 Ca -0.11 2.39 0.31 0.00 0.05 0.00 0.00 55.36 58.00 3ipa s GLN 347 Cb -0.14 -3.04 1.73 0.00 1.10 0.00 0.00 33.01 32.66 3ipa s GLN 347 CO 0.04 -0.39 2.13 1.04 -0.55 0.00 0.00 175.29 177.56