#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwi n PRO 5 N 0.00 1.10 -0.33 0.00 -0.02 -1.26 -4.74 135.00 129.75 3iwi n PRO 5 Ca 0.00 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 3iwi n PRO 5 Cb 0.00 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.06 3iwi n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3iwi h GLN 6 N 1.56 0.71 -0.34 -0.52 -0.00 -2.05 -1.29 115.11 113.18 3iwi h GLN 6 Ca -0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.17 3iwi h GLN 6 Cb 1.36 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.66 3iwi h GLN 6 CO 0.57 0.47 0.07 -0.56 0.00 0.00 0.00 178.83 179.38 3iwi h GLN 7 N 0.73 0.50 0.01 1.69 -0.00 -1.99 -0.13 115.11 115.91 3iwi h GLN 7 Ca 0.54 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 59.10 3iwi h GLN 7 Cb 0.87 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 3iwi h GLN 7 CO -0.31 0.48 -0.00 0.82 -0.00 0.00 0.00 178.83 179.81 3iwi h ILE 8 N 0.49 1.54 -0.77 1.86 2.04 -1.61 -2.59 117.51 118.47 3iwi h ILE 8 Ca 0.11 -1.67 0.10 0.00 1.00 0.00 0.00 64.86 64.40 3iwi h ILE 8 Cb 0.21 2.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.89 3iwi h ILE 8 CO -0.00 0.43 0.41 0.78 0.00 0.00 0.00 178.15 179.76 3iwi h ASN 9 N -0.73 0.54 0.20 1.72 2.35 -1.24 -0.93 115.58 117.50 3iwi h ASN 9 Ca -0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3iwi h ASN 9 Cb 0.71 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3iwi h ASN 9 CO 0.00 0.30 -0.09 -0.78 -1.65 0.00 0.00 177.43 175.21 3iwi h ASP 10 N 0.67 -0.22 0.10 5.81 3.58 -1.06 -1.03 116.42 124.26 3iwi h ASP 10 Ca 0.38 -0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.58 3iwi h ASP 10 Cb 0.40 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 3iwi h ASP 10 CO -0.27 0.00 -0.42 -0.29 -2.88 0.00 0.00 179.24 175.38 3iwi h ILE 11 N -0.44 1.31 -0.24 2.25 6.09 -1.29 -1.25 117.51 123.94 3iwi h ILE 11 Ca -0.03 -1.57 -0.07 0.00 -1.37 0.00 0.00 64.86 61.83 3iwi h ILE 11 Cb 0.34 1.63 -0.01 0.00 0.47 0.00 0.00 36.82 39.26 3iwi h ILE 11 CO 0.04 0.48 -0.11 0.58 -3.07 0.00 0.00 178.15 176.08 3iwi h VAL 12 N 0.34 1.30 -0.64 2.19 2.07 -1.15 -2.12 116.25 118.24 3iwi h VAL 12 Ca 0.03 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 3iwi h VAL 12 Cb 0.88 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3iwi h VAL 12 CO 0.07 0.36 0.13 -0.74 0.02 0.00 0.00 177.57 177.42 3iwi h HIS 13 N 0.21 1.07 0.00 1.57 -0.00 -1.04 0.14 115.15 117.10 3iwi h HIS 13 Ca 0.05 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.26 3iwi h HIS 13 Cb 0.61 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 3iwi h HIS 13 CO 0.06 0.89 -0.16 0.00 -0.00 0.00 0.00 177.93 178.73 3iwi h ARG 14 N 0.97 0.00 0.00 5.26 3.08 -1.21 -3.16 114.38 119.31 3iwi h ARG 14 Ca 0.20 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 3iwi h ARG 14 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3iwi h ARG 14 CO 0.01 0.16 -1.43 2.41 -1.07 0.00 0.00 179.97 180.04 3iwi n THR 15 N -3.29 1.40 0.04 2.04 -1.04 -0.80 -4.57 114.28 108.06 3iwi n THR 15 Ca 0.01 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.80 3iwi n THR 15 Cb 0.41 -2.07 -0.11 0.00 -1.82 0.00 0.00 70.33 66.74 3iwi n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3iwi h ILE 16 N -0.85 1.34 -0.39 12.58 1.08 -0.91 -2.96 117.51 127.40 3iwi h ILE 16 Ca -0.24 -2.24 0.04 0.00 -0.39 0.00 0.00 64.86 62.03 3iwi h ILE 16 Cb 1.12 2.54 -0.04 0.00 -3.07 0.00 0.00 36.82 37.37 3iwi h ILE 16 CO -0.14 0.68 0.16 0.74 -0.69 0.00 0.00 178.15 178.89 3iwi h THR 17 N 0.18 0.92 -0.22 -0.27 2.02 -1.62 -1.13 112.91 112.79 3iwi h THR 17 Ca -0.12 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 3iwi h THR 17 Cb 1.61 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3iwi h THR 17 CO 0.18 0.06 -0.33 -0.65 0.37 0.00 0.00 175.52 175.16 3iwi h PRO 18 N 0.34 0.45 -0.61 6.66 0.11 -1.75 -2.84 132.00 134.35 3iwi h PRO 18 Ca 0.17 -0.19 0.10 0.00 0.11 0.00 0.00 66.00 66.19 3iwi h PRO 18 Cb 0.13 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.15 3iwi h PRO 18 CO -0.16 0.72 0.21 1.25 -0.21 0.00 0.00 178.00 179.81 3iwi h LEU 19 N 0.38 0.17 -0.92 2.35 5.85 -1.19 0.11 115.31 122.06 3iwi h LEU 19 Ca 0.05 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3iwi h LEU 19 Cb 0.76 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3iwi h LEU 19 CO 0.06 0.10 0.56 0.40 -0.34 0.00 0.00 178.44 179.22 3iwi h ILE 20 N 0.37 1.25 -0.24 4.05 2.04 -1.02 -0.23 117.51 123.73 3iwi h ILE 20 Ca 0.31 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3iwi h ILE 20 Cb 0.41 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3iwi h ILE 20 CO -0.33 0.26 -0.06 -0.33 0.00 0.00 0.00 178.15 177.69 3iwi h GLU 21 N 1.27 0.47 -0.80 2.37 4.39 -1.08 -0.62 114.58 120.58 3iwi h GLU 21 Ca 0.33 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 3iwi h GLU 21 Cb -0.06 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 3iwi h GLU 21 CO -0.06 0.70 0.38 1.96 -1.16 0.00 0.00 179.01 180.83 3iwi h GLN 22 N 0.21 1.15 -0.02 2.33 4.20 -0.52 -2.98 115.11 119.47 3iwi h GLN 22 Ca 0.06 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3iwi h GLN 22 Cb 0.53 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3iwi h GLN 22 CO 0.03 0.88 -0.17 1.04 -0.67 0.00 0.00 178.83 179.94 3iwi n GLN 23 N -4.31 1.70 -3.87 1.46 1.13 -0.13 -4.98 117.38 108.38 3iwi n GLN 23 Ca 0.08 -1.31 -0.24 0.00 -1.94 0.00 0.00 57.00 53.59 3iwi n GLN 23 Cb 0.14 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.02 3iwi n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3iwi n LYS 24 N 0.49 -3.90 -2.65 -1.09 5.02 -0.30 -4.95 118.16 110.78 3iwi n LYS 24 Ca 0.13 0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 56.48 3iwi n LYS 24 Cb 0.49 -4.79 -0.02 0.00 -0.02 0.00 0.00 35.03 30.69 3iwi n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iwi s ILE 25 N -3.83 4.70 0.24 -0.18 1.01 -0.80 -4.96 121.20 117.38 3iwi s ILE 25 Ca 0.04 1.98 0.05 0.00 0.00 0.00 0.00 60.65 62.72 3iwi s ILE 25 Cb -0.02 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 3iwi s ILE 25 CO 0.86 -0.03 1.56 -0.65 0.00 0.00 0.00 174.94 176.68 3iwi h PRO 26 N 7.22 0.22 -2.56 2.79 0.11 -1.89 -3.46 132.00 134.44 3iwi h PRO 26 Ca -0.29 -0.15 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 3iwi h PRO 26 Cb 1.13 0.02 -0.22 0.00 0.11 0.00 0.00 31.00 32.04 3iwi h PRO 26 CO 0.88 0.76 -0.12 0.20 -0.21 0.00 0.00 178.00 179.51 3iwi s GLY 27 N -4.34 -0.36 -0.15 -0.55 0.00 -1.23 -0.73 107.32 99.97 3iwi s GLY 27 Ca -0.04 1.23 -0.15 0.00 0.00 0.00 0.00 44.72 45.76 3iwi s GLY 27 CO 0.80 1.02 0.42 -0.29 0.00 0.00 0.00 173.10 175.05 3iwi s MET 28 N -0.12 0.52 -0.01 2.90 1.75 -0.60 -2.28 119.30 121.46 3iwi s MET 28 Ca -0.03 0.53 0.05 0.00 -1.25 0.00 0.00 55.69 54.99 3iwi s MET 28 Cb -0.03 0.25 -0.01 0.00 2.84 0.00 0.00 34.83 37.88 3iwi s MET 28 CO 0.02 -0.07 -0.18 0.00 -0.65 0.00 0.00 175.02 174.14 3iwi s ALA 29 N 0.09 1.47 -0.02 4.11 0.00 -0.02 -1.37 121.76 126.03 3iwi s ALA 29 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3iwi s ALA 29 Cb -0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3iwi s ALA 29 CO 0.01 0.36 -0.09 0.08 0.00 0.00 0.00 175.76 176.12 3iwi s VAL 30 N -0.39 0.76 -0.08 0.00 1.01 0.05 -0.72 120.40 121.03 3iwi s VAL 30 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3iwi s VAL 30 Cb -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 3iwi s VAL 30 CO -0.01 0.23 -0.21 0.00 0.00 0.00 0.00 175.10 175.12 3iwi s ALA 31 N 0.03 2.33 -0.14 5.51 0.00 -0.49 -0.85 121.76 128.14 3iwi s ALA 31 Ca -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3iwi s ALA 31 Cb -0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3iwi s ALA 31 CO 0.00 0.38 -0.09 0.08 0.00 0.00 0.00 175.76 176.12 3iwi s VAL 32 N -0.04 3.35 -0.28 0.00 1.01 -0.08 -1.24 120.40 123.11 3iwi s VAL 32 Ca -0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3iwi s VAL 32 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 3iwi s VAL 32 CO 0.05 0.51 0.17 -0.63 0.00 0.00 0.00 175.10 175.20 3iwi s ILE 33 N 0.42 5.17 -0.06 2.22 1.09 0.32 -0.39 121.20 129.97 3iwi s ILE 33 Ca -0.08 0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 3iwi s ILE 33 Cb -0.15 -3.46 0.02 0.00 -1.06 0.00 0.00 42.46 37.81 3iwi s ILE 33 CO 0.04 0.26 -0.03 -0.47 -0.10 0.00 0.00 174.94 174.64 3iwi s TYR 34 N 1.74 0.75 -1.51 3.97 5.04 -0.18 -0.87 117.35 126.29 3iwi s TYR 34 Ca 0.07 -0.22 -0.14 0.00 -2.44 0.00 0.00 57.07 54.34 3iwi s TYR 34 Cb -0.16 -0.73 0.11 0.00 0.35 0.00 0.00 41.96 41.53 3iwi s TYR 34 CO 0.10 -0.25 0.74 1.04 -1.34 0.00 0.00 175.55 175.83 3iwi n GLN 35 N 4.48 -3.87 -0.28 4.97 6.02 -1.08 -1.34 117.38 126.26 3iwi n GLN 35 Ca -0.18 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 3iwi n GLN 35 Cb 0.50 -5.24 0.00 0.00 1.02 0.00 0.00 30.24 26.53 3iwi n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwi n GLY 36 N -1.39 2.39 3.76 1.08 0.00 -0.78 -5.03 105.19 105.22 3iwi n GLY 36 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3iwi n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwi s LYS 37 N -0.02 3.08 0.11 1.61 1.02 -0.45 -4.99 119.74 120.10 3iwi s LYS 37 Ca 0.00 -0.42 -0.19 0.00 0.02 0.00 0.00 55.97 55.39 3iwi s LYS 37 Cb 0.00 -2.88 -0.07 0.00 -0.52 0.00 0.00 37.83 34.36 3iwi s LYS 37 CO 0.00 0.68 0.59 -1.25 -0.92 0.00 0.00 175.35 174.45 3iwi s PRO 38 N -1.38 4.18 -0.03 -1.68 0.04 -1.26 -1.01 135.00 133.85 3iwi s PRO 38 Ca 0.19 0.72 0.04 0.00 0.04 0.00 0.00 61.00 61.98 3iwi s PRO 38 Cb -0.12 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 3iwi s PRO 38 CO 0.09 0.58 -0.14 0.71 0.04 0.00 0.00 177.00 178.28 3iwi s TYR 39 N -1.23 1.39 0.06 0.56 1.51 0.48 -4.98 117.35 115.14 3iwi s TYR 39 Ca 0.33 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 56.08 3iwi s TYR 39 Cb -0.18 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 3iwi s TYR 39 CO 0.20 -0.13 -0.16 0.71 -1.11 0.00 0.00 175.55 175.05 3iwi s TYR 40 N 0.09 2.61 -0.04 2.71 2.02 -1.26 -0.90 117.35 122.57 3iwi s TYR 40 Ca -0.03 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3iwi s TYR 40 Cb -0.10 -1.45 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3iwi s TYR 40 CO 0.01 0.31 0.09 -0.06 -1.57 0.00 0.00 175.55 174.33 3iwi s PHE 41 N -1.00 -0.08 0.07 2.71 0.40 -0.03 -5.01 117.98 115.03 3iwi s PHE 41 Ca 0.16 0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.82 3iwi s PHE 41 Cb -0.11 -0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.30 3iwi s PHE 41 CO 0.07 -0.10 -0.11 0.95 0.70 0.00 0.00 175.22 176.73 3iwi s THR 42 N 0.78 0.88 -0.04 0.64 -4.23 -1.26 -0.77 115.64 111.64 3iwi s THR 42 Ca -0.06 -1.29 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 3iwi s THR 42 Cb -0.08 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.80 3iwi s THR 42 CO -0.03 -0.35 0.17 0.26 -0.54 0.00 0.00 174.62 174.13 3iwi s TRP 43 N -1.54 -0.12 0.00 3.99 0.51 -0.47 -5.01 118.94 116.29 3iwi s TRP 43 Ca -0.03 0.29 0.00 0.00 -2.12 0.00 0.00 56.10 54.23 3iwi s TRP 43 Cb -0.09 0.03 0.00 0.00 -0.81 0.00 0.00 33.47 32.61 3iwi s TRP 43 CO 0.01 -0.15 0.00 0.41 -0.51 0.00 0.00 176.95 176.71 3iwi n GLY 44 N 2.51 0.01 3.35 0.98 0.00 -1.26 -1.55 105.19 109.23 3iwi n GLY 44 Ca -0.16 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3iwi n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwi s TYR 45 N 0.00 2.54 0.17 1.61 4.12 0.09 -1.99 117.35 123.89 3iwi s TYR 45 Ca 0.00 -0.51 -0.03 0.00 0.02 0.00 0.00 57.07 56.56 3iwi s TYR 45 Cb 0.00 -1.62 0.04 0.00 -1.52 0.00 0.00 41.96 38.86 3iwi s TYR 45 CO 0.00 -0.07 1.43 0.00 0.02 0.00 0.00 175.55 176.92 3iwi h ALA 46 N 5.83 0.57 -3.18 3.71 0.00 -0.82 -3.25 119.26 122.13 3iwi h ALA 46 Ca -0.37 -0.60 -0.50 0.00 0.00 0.00 0.00 54.91 53.44 3iwi h ALA 46 Cb 1.16 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.49 3iwi h ALA 46 CO 0.49 0.75 -0.76 0.34 0.00 0.00 0.00 179.25 180.07 3iwi s ASP 47 N -6.98 2.77 0.04 0.00 -1.08 -1.12 -1.20 116.67 109.10 3iwi s ASP 47 Ca -0.06 -0.79 -0.24 0.00 -0.52 0.00 0.00 52.55 50.94 3iwi s ASP 47 Cb 0.10 -0.47 -0.17 0.00 -1.46 0.00 0.00 42.92 40.92 3iwi s ASP 47 CO 0.85 -0.33 1.55 0.40 0.52 0.00 0.00 175.17 178.15 3iwi h ILE 48 N 6.48 1.14 -1.00 4.11 2.04 -1.86 -1.11 117.51 127.31 3iwi h ILE 48 Ca -0.16 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3iwi h ILE 48 Cb 1.12 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 3iwi h ILE 48 CO 0.33 0.12 0.65 0.00 0.00 0.00 0.00 178.15 179.24 3iwi h ALA 49 N 0.77 1.34 -0.00 1.87 0.00 -1.98 -1.72 119.26 119.54 3iwi h ALA 49 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iwi h ALA 49 Cb 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3iwi h ALA 49 CO 0.00 0.51 -0.22 1.63 0.00 0.00 0.00 179.25 181.18 3iwi n LYS 50 N -4.47 0.60 -4.00 0.00 5.02 -1.20 -4.94 118.16 109.18 3iwi n LYS 50 Ca 0.14 -0.28 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 3iwi n LYS 50 Cb 0.12 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3iwi n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3iwi n LYS 51 N -0.95 -4.17 -2.97 1.97 5.02 -0.51 -4.94 118.16 111.60 3iwi n LYS 51 Ca 0.12 0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 56.48 3iwi n LYS 51 Cb 0.32 -5.10 -0.05 0.00 -0.02 0.00 0.00 35.03 30.18 3iwi n LYS 51 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3iwi s GLN 52 N -6.63 4.12 0.54 1.97 2.00 -0.64 -4.99 119.66 116.02 3iwi s GLN 52 Ca 0.45 0.75 -0.19 0.00 -2.00 0.00 0.00 55.36 54.37 3iwi s GLN 52 Cb -0.24 -3.66 -0.06 0.00 0.80 0.00 0.00 33.01 29.85 3iwi s GLN 52 CO 0.87 -0.51 1.07 -1.25 -0.50 0.00 0.00 175.29 174.97 3iwi s PRO 53 N 2.75 3.51 0.20 1.67 0.04 -1.26 -0.28 135.00 141.63 3iwi s PRO 53 Ca 0.32 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 3iwi s PRO 53 Cb -0.15 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 3iwi s PRO 53 CO 0.09 -0.68 1.55 0.08 0.04 0.00 0.00 177.00 178.08 3iwi s VAL 54 N -2.07 2.53 0.40 -0.36 1.01 -0.84 -4.28 120.40 116.78 3iwi s VAL 54 Ca 0.68 0.40 0.04 0.00 0.00 0.00 0.00 61.98 63.10 3iwi s VAL 54 Cb -0.18 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3iwi s VAL 54 CO 0.27 0.04 0.13 0.42 0.00 0.00 0.00 175.10 175.96 3iwi s THR 55 N 0.76 0.62 0.45 3.92 -4.23 -1.26 -4.76 115.64 111.13 3iwi s THR 55 Ca 0.67 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.58 3iwi s THR 55 Cb -0.44 -2.40 0.40 0.00 1.34 0.00 0.00 72.50 71.40 3iwi s THR 55 CO 0.36 0.00 2.21 1.56 -0.54 0.00 0.00 174.62 178.20 3iwi h GLN 56 N 1.84 0.00 -0.42 3.99 4.20 -1.98 -2.20 115.11 120.54 3iwi h GLN 56 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3iwi h GLN 56 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3iwi h GLN 56 CO 0.57 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.77 3iwi n GLN 57 N -2.92 2.52 -2.41 1.46 1.13 -1.26 -3.48 117.38 112.43 3iwi n GLN 57 Ca -0.02 -2.17 -0.42 0.00 -1.94 0.00 0.00 57.00 52.45 3iwi n GLN 57 Cb 0.08 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 3iwi n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iwi s THR 58 N -1.08 4.03 -0.01 5.09 2.01 -0.83 -4.86 115.64 119.99 3iwi s THR 58 Ca 0.32 1.44 -0.23 0.00 0.31 0.00 0.00 61.69 63.54 3iwi s THR 58 Cb 0.17 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 3iwi s THR 58 CO 0.23 0.09 0.67 -0.76 -0.69 0.00 0.00 174.62 174.17 3iwi s LEU 59 N 1.27 4.39 0.11 4.42 1.02 0.34 -4.07 118.68 126.15 3iwi s LEU 59 Ca 0.59 1.24 0.10 0.00 0.02 0.00 0.00 54.13 56.07 3iwi s LEU 59 Cb -0.29 -3.05 -0.04 0.00 0.02 0.00 0.00 46.19 42.83 3iwi s LEU 59 CO 0.28 0.01 -0.24 -0.36 0.02 0.00 0.00 176.35 176.06 3iwi s PHE 60 N 0.19 2.40 -0.03 0.29 0.40 0.08 -1.23 117.98 120.08 3iwi s PHE 60 Ca 0.35 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 3iwi s PHE 60 Cb -0.19 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3iwi s PHE 60 CO 0.19 0.31 1.20 -1.21 0.70 0.00 0.00 175.22 176.41 3iwi s GLU 61 N -1.90 4.37 0.29 0.44 2.02 -1.26 -1.29 118.70 121.37 3iwi s GLU 61 Ca 0.15 1.69 0.23 0.00 0.02 0.00 0.00 54.97 57.06 3iwi s GLU 61 Cb -0.10 -3.52 0.27 0.00 0.10 0.00 0.00 34.13 30.88 3iwi s GLU 61 CO 0.06 -0.41 1.40 -0.07 0.02 0.00 0.00 175.26 176.26 3iwi h LEU 62 N 7.95 0.00 0.00 1.80 3.38 -1.45 -3.44 115.31 123.55 3iwi h LEU 62 Ca -0.36 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3iwi h LEU 62 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3iwi h LEU 62 CO 0.87 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.02 3iwi n GLY 63 N 1.18 2.84 0.00 0.83 0.00 -1.24 -2.29 105.19 106.51 3iwi n GLY 63 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3iwi n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iwi n SER 64 N 1.07 0.00 0.29 1.61 7.64 -1.26 -1.08 113.62 121.90 3iwi n SER 64 Ca 0.00 0.28 0.15 0.00 1.01 0.00 0.00 58.87 60.31 3iwi n SER 64 Cb 0.00 -0.36 0.90 0.00 -1.01 0.00 0.00 64.21 63.74 3iwi n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iwi h VAL 65 N 0.00 0.48 -0.84 0.44 2.07 -1.47 -1.40 116.25 115.53 3iwi h VAL 65 Ca 0.00 -0.12 0.20 0.00 0.82 0.00 0.00 66.70 67.60 3iwi h VAL 65 Cb 0.11 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3iwi h VAL 65 CO 0.00 0.03 0.57 0.28 0.02 0.00 0.00 177.57 178.47 3iwi h SER 66 N 0.00 0.27 -0.35 0.57 0.02 -1.29 -1.19 113.55 111.57 3iwi h SER 66 Ca -0.00 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3iwi h SER 66 Cb 0.08 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3iwi h SER 66 CO 0.00 0.11 0.29 0.11 -1.14 0.00 0.00 176.83 176.21 3iwi h LYS 67 N 0.27 0.00 -0.30 3.45 1.57 -1.33 -0.99 116.57 119.24 3iwi h LYS 67 Ca 0.43 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 3iwi h LYS 67 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3iwi h LYS 67 CO -0.11 0.00 -0.31 1.79 -0.57 0.00 0.00 179.45 180.25 3iwi h THR 68 N 0.00 1.28 -0.42 -0.16 1.35 -1.40 0.74 112.91 114.30 3iwi h THR 68 Ca 0.17 -1.43 -0.08 0.00 -0.55 0.00 0.00 66.41 64.52 3iwi h THR 68 Cb 0.75 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3iwi h THR 68 CO -0.00 0.46 -0.05 -0.26 -0.25 0.00 0.00 175.52 175.42 3iwi h PHE 69 N 0.55 0.87 -0.62 4.73 0.04 -1.34 -1.89 116.94 119.27 3iwi h PHE 69 Ca 0.06 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.67 3iwi h PHE 69 Cb 0.80 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 3iwi h PHE 69 CO 0.04 0.87 0.41 1.15 -0.60 0.00 0.00 178.31 180.18 3iwi h THR 70 N 0.61 1.15 -0.49 -1.55 2.02 -1.14 0.20 112.91 113.71 3iwi h THR 70 Ca 0.11 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3iwi h THR 70 Cb 0.56 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3iwi h THR 70 CO 0.03 0.15 0.24 1.23 0.37 0.00 0.00 175.52 177.55 3iwi h GLY 71 N 0.83 0.75 1.08 2.16 0.00 -0.75 -1.14 103.07 106.00 3iwi h GLY 71 Ca 0.23 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 3iwi h GLY 71 CO -0.05 0.35 -0.20 -2.08 0.00 0.00 0.00 176.54 174.56 3iwi h VAL 72 N 0.65 1.27 -0.85 4.60 2.07 -1.14 -0.37 116.25 122.48 3iwi h VAL 72 Ca 0.17 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3iwi h VAL 72 Cb 0.10 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3iwi h VAL 72 CO -0.02 0.47 0.54 0.25 0.02 0.00 0.00 177.57 178.83 3iwi h LEU 73 N 0.80 0.90 -0.43 2.57 5.85 -0.80 0.95 115.31 125.17 3iwi h LEU 73 Ca 0.11 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3iwi h LEU 73 Cb 0.77 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3iwi h LEU 73 CO 0.06 0.62 0.11 1.23 -0.34 0.00 0.00 178.44 180.13 3iwi h GLY 74 N 1.06 0.73 0.49 3.75 0.00 -1.00 -1.57 103.07 106.53 3iwi h GLY 74 Ca 0.34 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.30 3iwi h GLY 74 CO -0.12 0.42 0.31 -1.33 0.00 0.00 0.00 176.54 175.82 3iwi h GLY 75 N 0.55 0.96 1.01 4.60 0.00 -0.54 -1.07 103.07 108.58 3iwi h GLY 75 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3iwi h GLY 75 CO -0.00 0.05 0.48 -1.80 0.00 0.00 0.00 176.54 175.27 3iwi h ASP 76 N 0.54 0.99 -0.41 0.19 3.58 -0.59 -1.11 116.42 119.61 3iwi h ASP 76 Ca 0.32 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 3iwi h ASP 76 Cb 0.33 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3iwi h ASP 76 CO -0.26 0.77 0.02 0.00 -2.88 0.00 0.00 179.24 176.89 3iwi h ALA 77 N 1.26 1.13 -0.13 -0.78 0.00 -0.60 -0.63 119.26 119.51 3iwi h ALA 77 Ca 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3iwi h ALA 77 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iwi h ALA 77 CO -0.05 0.56 0.06 0.82 0.00 0.00 0.00 179.25 180.63 3iwi h ILE 78 N 0.74 1.14 -0.50 0.00 2.04 -0.79 -0.97 117.51 119.16 3iwi h ILE 78 Ca 0.15 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3iwi h ILE 78 Cb 0.42 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3iwi h ILE 78 CO 0.02 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.62 3iwi h ALA 79 N 0.91 1.81 0.00 1.87 0.00 -0.92 -0.42 119.26 122.52 3iwi h ALA 79 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwi h ALA 79 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iwi h ALA 79 CO -0.00 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.90 3iwi n ARG 80 N -4.47 0.16 -1.17 0.00 1.74 -0.27 -4.90 116.66 107.74 3iwi n ARG 80 Ca 0.06 0.11 -0.06 0.00 -0.77 0.00 0.00 57.85 57.19 3iwi n ARG 80 Cb 0.18 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3iwi n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iwi n GLY 81 N 0.62 0.83 0.09 -0.13 0.00 -0.17 -4.93 105.19 101.50 3iwi n GLY 81 Ca 0.08 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 3iwi n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwi h GLU 82 N 0.12 0.12 -4.50 1.61 5.08 -1.37 -3.48 114.58 112.16 3iwi h GLU 82 Ca -0.12 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 57.85 3iwi h GLU 82 Cb 0.44 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.62 3iwi h GLU 82 CO 0.18 0.95 -0.69 0.96 -1.00 0.00 0.00 179.01 179.41 3iwi s ILE 83 N -2.64 0.50 -0.02 3.13 -4.36 -1.18 -4.81 121.20 111.81 3iwi s ILE 83 Ca -0.05 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 58.50 3iwi s ILE 83 Cb 0.08 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 3iwi s ILE 83 CO 0.84 -0.89 -0.16 -0.54 0.24 0.00 0.00 174.94 174.42 3iwi s LYS 84 N -3.88 1.40 0.51 0.37 1.02 -1.26 -4.24 119.74 113.66 3iwi s LYS 84 Ca 0.11 -0.58 0.28 0.00 0.02 0.00 0.00 55.97 55.80 3iwi s LYS 84 Cb 0.06 -1.33 1.34 0.00 -0.52 0.00 0.00 37.83 37.38 3iwi s LYS 84 CO -0.06 0.33 2.00 -0.07 -0.92 0.00 0.00 175.35 176.63 3iwi h LEU 85 N 5.85 0.00 -0.01 3.17 3.38 -1.99 -2.51 115.31 123.21 3iwi h LEU 85 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3iwi h LEU 85 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3iwi h LEU 85 CO 0.48 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.61 3iwi n SER 86 N -3.47 0.03 -4.78 -0.43 3.41 -1.26 -1.26 113.62 105.86 3iwi n SER 86 Ca -0.01 0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 58.73 3iwi n SER 86 Cb 0.29 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 3iwi n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3iwi s ASP 87 N -3.06 7.35 0.43 4.04 1.01 -0.95 -4.87 116.67 120.63 3iwi s ASP 87 Ca 0.12 1.86 -0.26 0.00 0.71 0.00 0.00 52.55 54.98 3iwi s ASP 87 Cb 0.16 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.41 3iwi s ASP 87 CO 0.45 -0.06 1.38 -2.65 0.21 0.00 0.00 175.17 174.49 3iwi n PRO 88 N 0.64 2.16 -0.28 8.23 -0.02 -1.26 -1.66 135.00 142.81 3iwi n PRO 88 Ca 0.02 0.77 0.09 0.00 -2.02 0.00 0.00 63.50 62.35 3iwi n PRO 88 Cb 0.50 -2.54 0.24 0.00 -0.02 0.00 0.00 33.50 31.68 3iwi n PRO 88 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3iwi h THR 89 N 2.26 0.52 0.00 3.45 2.02 -1.35 -1.54 112.91 118.26 3iwi h THR 89 Ca -0.50 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3iwi h THR 89 Cb 1.28 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3iwi h THR 89 CO 0.61 0.07 -0.00 0.71 0.37 0.00 0.00 175.52 177.27 3iwi h THR 90 N 0.36 0.02 -0.33 3.16 1.35 -1.82 -1.44 112.91 114.20 3iwi h THR 90 Ca 0.48 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 66.28 3iwi h THR 90 Cb 0.85 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 3iwi h THR 90 CO -0.50 0.00 0.06 0.50 -0.25 0.00 0.00 175.52 175.33 3iwi h LYS 91 N 0.00 0.48 -0.00 4.72 3.64 -1.65 -2.74 116.57 121.02 3iwi h LYS 91 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3iwi h LYS 91 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3iwi h LYS 91 CO 0.00 0.46 -0.79 0.66 -2.27 0.00 0.00 179.45 177.51 3iwi n TYR 92 N -4.34 0.00 -3.42 1.91 4.02 -0.59 -4.59 117.16 110.15 3iwi n TYR 92 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 3iwi n TYR 92 Cb 0.19 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.41 3iwi n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3iwi n TRP 93 N -1.26 -0.07 0.28 -0.72 -0.00 -0.93 -4.98 117.44 109.76 3iwi n TRP 93 Ca 0.04 -3.52 0.13 0.00 -0.00 0.00 0.00 57.50 54.15 3iwi n TRP 93 Cb 0.29 -0.01 0.82 0.00 -0.00 0.00 0.00 31.31 32.41 3iwi n TRP 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3iwi h PRO 94 N 5.21 0.00 0.00 5.87 0.11 -1.74 -0.38 132.00 141.07 3iwi h PRO 94 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3iwi h PRO 94 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3iwi h PRO 94 CO 0.45 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.22 3iwi h GLU 95 N 0.00 0.00 -5.38 1.05 3.07 -1.95 -3.37 114.58 108.00 3iwi h GLU 95 Ca -0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 3iwi h GLU 95 Cb 0.12 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.93 3iwi h GLU 95 CO 0.01 0.00 2.11 -0.11 -1.40 0.00 0.00 179.01 179.62 3iwi n LEU 96 N -2.92 5.23 0.00 1.33 7.94 -0.15 -4.73 117.00 123.70 3iwi n LEU 96 Ca -0.00 -4.08 0.11 0.00 -1.11 0.00 0.00 56.01 50.93 3iwi n LEU 96 Cb 0.21 -1.71 0.01 0.00 0.53 0.00 0.00 43.42 42.47 3iwi n LEU 96 CO 0.23 0.40 0.12 0.35 -1.11 0.00 0.00 177.39 177.38 3iwi n THR 97 N 5.81 0.00 -1.80 1.96 -2.24 -1.26 -4.75 114.28 112.00 3iwi n THR 97 Ca 0.46 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.85 3iwi n THR 97 Cb 0.44 0.72 0.03 0.00 -2.10 0.00 0.00 70.33 69.43 3iwi n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwi s ALA 98 N -3.01 3.00 0.51 6.98 0.00 -1.26 -4.90 121.76 123.08 3iwi s ALA 98 Ca 0.09 1.38 0.20 0.00 0.00 0.00 0.00 51.96 53.63 3iwi s ALA 98 Cb 0.16 -3.57 1.35 0.00 0.00 0.00 0.00 23.12 21.06 3iwi s ALA 98 CO 0.81 -1.28 2.13 1.57 0.00 0.00 0.00 175.76 178.98 3iwi h LYS 99 N 1.84 0.00 0.00 0.00 2.10 -1.93 -2.38 116.57 116.19 3iwi h LYS 99 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3iwi h LYS 99 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3iwi h LYS 99 CO 0.59 0.06 0.00 0.00 -2.00 0.00 0.00 179.45 178.10 3iwi n GLN 100 N -4.24 0.06 0.00 0.07 0.00 -1.26 -2.28 117.38 109.74 3iwi n GLN 100 Ca -0.03 0.33 0.12 0.00 0.00 0.00 0.00 57.00 57.43 3iwi n GLN 100 Cb 0.14 -1.63 0.32 0.00 0.00 0.00 0.00 30.24 29.07 3iwi n GLN 100 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 3iwi n TRP 101 N -1.75 0.00 -0.23 2.61 7.02 -0.90 -4.60 117.44 119.59 3iwi n TRP 101 Ca 0.03 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.45 3iwi n TRP 101 Cb 0.17 -0.25 -0.00 0.00 -2.42 0.00 0.00 31.31 28.81 3iwi n TRP 101 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3iwi h ASN 102 N 0.20 -1.33 -0.58 -0.99 4.21 -1.65 -1.51 115.58 113.93 3iwi h ASN 102 Ca 0.00 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.76 3iwi h ASN 102 Cb 0.49 0.64 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 3iwi h ASN 102 CO 0.00 -0.31 0.00 0.61 -1.29 0.00 0.00 177.43 176.44 3iwi n GLY 103 N -1.43 2.83 3.56 2.83 0.00 -1.26 -4.88 105.19 106.84 3iwi n GLY 103 Ca 0.04 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 3iwi n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwi s ILE 104 N -2.41 5.16 0.42 -0.61 1.01 -0.57 -4.87 121.20 119.33 3iwi s ILE 104 Ca 0.52 0.20 0.08 0.00 0.00 0.00 0.00 60.65 61.44 3iwi s ILE 104 Cb 0.37 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 3iwi s ILE 104 CO 0.18 -0.04 0.49 0.42 0.00 0.00 0.00 174.94 175.99 3iwi s THR 105 N 2.06 2.83 0.38 2.92 -4.23 -1.26 -1.02 115.64 117.33 3iwi s THR 105 Ca 0.13 -1.15 0.08 0.00 -1.18 0.00 0.00 61.69 59.56 3iwi s THR 105 Cb -0.16 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.99 3iwi s THR 105 CO 0.11 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.11 3iwi h LEU 106 N 0.80 0.57 -0.48 4.79 3.38 -1.29 -1.30 115.31 121.78 3iwi h LEU 106 Ca -0.40 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3iwi h LEU 106 Cb 1.27 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 3iwi h LEU 106 CO 0.50 0.38 0.19 0.25 0.09 0.00 0.00 178.44 179.85 3iwi h LEU 107 N 0.65 0.21 -0.63 1.67 5.85 -1.46 -0.77 115.31 120.83 3iwi h LEU 107 Ca 0.27 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3iwi h LEU 107 Cb 0.24 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3iwi h LEU 107 CO -0.08 0.15 0.34 0.45 -0.34 0.00 0.00 178.44 178.96 3iwi h HIS 108 N 0.37 0.86 -0.37 1.25 3.86 -1.54 -2.07 115.15 117.52 3iwi h HIS 108 Ca 0.23 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3iwi h HIS 108 Cb 0.21 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3iwi h HIS 108 CO -0.15 0.62 0.17 -0.07 0.86 0.00 0.00 177.93 179.36 3iwi h LEU 109 N 0.85 0.49 -1.71 2.43 3.38 -1.00 0.15 115.31 119.89 3iwi h LEU 109 Ca 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3iwi h LEU 109 Cb 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iwi h LEU 109 CO -0.03 0.49 -0.17 0.00 0.09 0.00 0.00 178.44 178.82 3iwi h ALA 110 N 1.01 1.28 -0.06 1.53 0.00 -0.76 -2.90 119.26 119.36 3iwi h ALA 110 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwi h ALA 110 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iwi h ALA 110 CO -0.01 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3iwi n THR 111 N -3.69 1.07 -1.99 0.00 -2.24 -0.81 -4.45 114.28 102.17 3iwi n THR 111 Ca -0.02 -1.09 -0.11 0.00 -2.27 0.00 0.00 64.05 60.56 3iwi n THR 111 Cb 0.28 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3iwi n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iwi n TYR 112 N -0.39 -0.40 -1.04 4.78 4.01 -0.70 -4.81 117.16 118.61 3iwi n TYR 112 Ca 0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.86 3iwi n TYR 112 Cb 0.31 -2.49 0.21 0.00 -0.31 0.00 0.00 39.34 37.05 3iwi n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3iwi n THR 113 N -3.67 2.12 0.31 -0.72 -2.24 -0.04 -1.41 114.28 108.63 3iwi n THR 113 Ca -0.13 -2.07 0.16 0.00 -2.27 0.00 0.00 64.05 59.75 3iwi n THR 113 Cb 0.54 -0.25 0.71 0.00 -2.10 0.00 0.00 70.33 69.23 3iwi n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwi h ALA 114 N 1.02 1.00 0.00 6.98 0.00 -1.80 0.88 119.26 127.33 3iwi h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwi h ALA 114 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3iwi h ALA 114 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3iwi n GLY 115 N -0.21 1.13 0.49 0.00 0.00 -1.26 -4.11 105.19 101.23 3iwi n GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3iwi n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwi n GLY 116 N -0.04 1.35 3.69 -0.02 0.00 -1.26 -0.76 105.19 108.15 3iwi n GLY 116 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3iwi n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iwi n LEU 117 N -0.05 3.87 -4.82 0.99 4.77 -1.26 -4.67 117.00 115.83 3iwi n LEU 117 Ca 0.00 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.78 3iwi n LEU 117 Cb 0.14 -1.49 0.03 0.00 -2.33 0.00 0.00 43.42 39.77 3iwi n LEU 117 CO 0.00 -0.68 0.71 -2.16 -1.33 0.00 0.00 177.39 173.93 3iwi s PRO 118 N -2.15 3.18 0.20 3.23 0.04 -1.26 -4.72 135.00 133.51 3iwi s PRO 118 Ca 0.60 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 3iwi s PRO 118 Cb -0.52 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.17 3iwi s PRO 118 CO 0.58 -0.91 1.60 1.25 0.04 0.00 0.00 177.00 179.56 3iwi h LEU 119 N -0.21 -0.95 -8.86 -3.56 5.85 -1.92 -3.24 115.31 102.42 3iwi h LEU 119 Ca -0.45 0.21 -0.67 0.00 0.84 0.00 0.00 57.88 57.82 3iwi h LEU 119 Cb 1.21 0.51 -0.22 0.00 0.37 0.00 0.00 40.66 42.52 3iwi h LEU 119 CO 0.58 -0.28 -0.86 -1.10 -0.34 0.00 0.00 178.44 176.44 3iwi s GLN 120 N -6.09 1.38 0.16 1.25 -1.52 -1.26 -0.26 119.66 113.31 3iwi s GLN 120 Ca -0.14 -1.30 -0.31 0.00 -1.95 0.00 0.00 55.36 51.65 3iwi s GLN 120 Cb 0.17 -1.82 -0.10 0.00 -0.22 0.00 0.00 33.01 31.04 3iwi s GLN 120 CO 0.71 0.43 1.65 0.08 -0.25 0.00 0.00 175.29 177.92 3iwi s VAL 121 N -1.06 2.52 0.33 1.09 1.01 -1.26 -4.78 120.40 118.25 3iwi s VAL 121 Ca 0.13 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 3iwi s VAL 121 Cb -0.10 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 3iwi s VAL 121 CO 0.05 0.02 0.95 -2.65 0.00 0.00 0.00 175.10 173.47 3iwi n PRO 122 N 4.44 1.24 0.15 2.72 -0.02 -1.26 -4.85 135.00 137.41 3iwi n PRO 122 Ca 0.15 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 3iwi n PRO 122 Cb 0.38 -1.83 0.60 0.00 -0.02 0.00 0.00 33.50 32.63 3iwi n PRO 122 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3iwi h ASP 123 N 1.75 0.11 1.02 2.55 3.58 -1.95 -2.59 116.42 120.89 3iwi h ASP 123 Ca -0.40 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.05 3iwi h ASP 123 Cb 1.35 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.37 3iwi h ASP 123 CO 0.59 0.07 0.00 -0.33 -2.88 0.00 0.00 179.24 176.69 3iwi h GLU 124 N 0.12 0.00 -6.23 0.28 3.07 -1.97 -3.43 114.58 106.43 3iwi h GLU 124 Ca 0.09 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.39 3iwi h GLU 124 Cb 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3iwi h GLU 124 CO -0.01 0.00 0.96 0.08 -1.40 0.00 0.00 179.01 178.64 3iwi s VAL 125 N -3.46 3.92 0.04 3.13 1.01 -0.98 -4.85 120.40 119.21 3iwi s VAL 125 Ca 0.03 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3iwi s VAL 125 Cb 0.09 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3iwi s VAL 125 CO 0.50 -0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.80 3iwi n LYS 126 N 6.62 0.00 -2.21 2.72 5.02 -1.26 -4.53 118.16 124.53 3iwi n LYS 126 Ca 0.15 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.17 3iwi n LYS 126 Cb 0.44 -0.40 0.05 0.00 -0.02 0.00 0.00 35.03 35.10 3iwi n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3iwi s SER 127 N -5.23 5.28 0.32 4.39 1.04 -1.26 -3.73 113.70 114.50 3iwi s SER 127 Ca 0.00 0.73 0.01 0.00 0.48 0.00 0.00 55.95 57.17 3iwi s SER 127 Cb 0.00 -1.56 0.52 0.00 0.10 0.00 0.00 66.02 65.08 3iwi s SER 127 CO 0.00 -1.32 1.93 0.77 0.98 0.00 0.00 173.24 175.60 3iwi h SER 128 N -0.45 0.76 -0.49 7.02 4.64 -1.99 -1.22 113.55 121.82 3iwi h SER 128 Ca -0.45 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 3iwi h SER 128 Cb 1.28 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3iwi h SER 128 CO 0.62 0.64 0.26 -1.28 -0.87 0.00 0.00 176.83 176.19 3iwi h SER 129 N 0.85 0.62 -0.83 4.97 0.87 -1.99 -1.64 113.55 116.39 3iwi h SER 129 Ca 0.21 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3iwi h SER 129 Cb 0.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3iwi h SER 129 CO -0.03 0.55 0.55 0.44 -0.53 0.00 0.00 176.83 177.81 3iwi h ASP 130 N 0.65 0.95 -0.23 6.23 3.32 -1.75 -1.21 116.42 124.38 3iwi h ASP 130 Ca 0.17 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3iwi h ASP 130 Cb 0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3iwi h ASP 130 CO -0.03 0.69 -0.00 0.25 -1.72 0.00 0.00 179.24 178.43 3iwi h LEU 131 N 1.12 0.40 -0.63 1.55 5.85 -0.96 -1.04 115.31 121.61 3iwi h LEU 131 Ca 0.31 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iwi h LEU 131 Cb -0.12 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3iwi h LEU 131 CO -0.07 0.61 0.38 0.25 -0.34 0.00 0.00 178.44 179.27 3iwi h LEU 132 N 0.17 0.75 -0.43 2.25 5.85 -1.19 -2.22 115.31 120.50 3iwi h LEU 132 Ca 0.06 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3iwi h LEU 132 Cb 0.41 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3iwi h LEU 132 CO 0.01 0.59 0.26 -0.09 -0.34 0.00 0.00 178.44 178.87 3iwi h ARG 133 N 0.85 0.51 0.01 1.25 2.43 -1.04 0.76 114.38 119.15 3iwi h ARG 133 Ca 0.23 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3iwi h ARG 133 Cb -0.03 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3iwi h ARG 133 CO -0.04 0.34 -0.17 0.35 -1.51 0.00 0.00 179.97 178.93 3iwi h PHE 134 N 0.52 -0.45 -0.27 2.20 3.57 -0.89 -0.89 116.94 120.74 3iwi h PHE 134 Ca 0.17 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 3iwi h PHE 134 Cb -0.01 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3iwi h PHE 134 CO -0.06 -0.25 -0.41 1.88 -2.23 0.00 0.00 178.31 177.23 3iwi h TYR 135 N -0.29 0.77 -0.13 0.41 0.05 -1.19 -1.82 116.97 114.78 3iwi h TYR 135 Ca 0.05 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 3iwi h TYR 135 Cb 0.35 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3iwi h TYR 135 CO -0.22 0.95 -0.07 1.96 -1.05 0.00 0.00 178.16 179.73 3iwi h GLN 136 N 0.53 0.19 0.00 4.88 1.08 -0.66 -2.95 115.11 118.18 3iwi h GLN 136 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3iwi h GLN 136 Cb 0.94 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3iwi h GLN 136 CO 0.08 0.28 -0.79 0.09 -0.95 0.00 0.00 178.83 177.55 3iwi n ASN 137 N -4.35 0.63 -4.72 1.46 5.03 -0.36 -4.83 115.26 108.12 3iwi n ASN 137 Ca -0.01 -0.21 -0.42 0.00 0.87 0.00 0.00 54.58 54.81 3iwi n ASN 137 Cb 0.21 0.52 -0.03 0.00 -1.02 0.00 0.00 39.78 39.47 3iwi n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3iwi s TRP 138 N -3.12 3.13 -0.15 3.10 -0.00 -0.70 -5.01 118.94 116.19 3iwi s TRP 138 Ca 0.07 0.86 -0.01 0.00 -0.00 0.00 0.00 56.10 57.01 3iwi s TRP 138 Cb 0.15 -3.80 -0.01 0.00 -0.00 0.00 0.00 33.47 29.81 3iwi s TRP 138 CO 0.76 -2.82 -0.11 -0.65 -0.00 0.00 0.00 176.95 174.13 3iwi s GLN 139 N 0.73 3.40 0.41 5.86 -1.52 -1.26 -4.97 119.66 122.31 3iwi s GLN 139 Ca 0.65 -0.66 -0.25 0.00 -1.95 0.00 0.00 55.36 53.15 3iwi s GLN 139 Cb -0.41 -2.71 -0.08 0.00 -0.22 0.00 0.00 33.01 29.59 3iwi s GLN 139 CO 0.34 0.15 1.17 -1.25 -0.25 0.00 0.00 175.29 175.45 3iwi s PRO 140 N 0.52 4.02 0.30 2.91 0.04 -1.26 -4.95 135.00 136.59 3iwi s PRO 140 Ca -0.08 1.84 0.16 0.00 0.04 0.00 0.00 61.00 62.96 3iwi s PRO 140 Cb -0.15 -2.65 0.27 0.00 0.04 0.00 0.00 34.50 32.01 3iwi s PRO 140 CO 0.04 -0.35 1.54 0.00 0.04 0.00 0.00 177.00 178.27 3iwi h ALA 141 N 2.58 0.76 -2.51 8.56 0.00 -1.22 -3.48 119.26 123.96 3iwi h ALA 141 Ca -0.49 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 53.86 3iwi h ALA 141 Cb 1.24 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 3iwi h ALA 141 CO 0.62 0.63 -0.42 -1.58 0.00 0.00 0.00 179.25 178.50 3iwi s TRP 142 N -3.18 0.35 0.77 0.00 0.51 -1.09 -5.03 118.94 111.28 3iwi s TRP 142 Ca 0.02 -0.77 -0.12 0.00 -2.12 0.00 0.00 56.10 53.11 3iwi s TRP 142 Cb 0.09 -0.14 0.06 0.00 -0.81 0.00 0.00 33.47 32.67 3iwi s TRP 142 CO 0.73 -0.57 1.13 0.00 -0.51 0.00 0.00 176.95 177.73 3iwi s ALA 143 N -3.92 2.09 0.54 0.98 0.00 -1.26 -4.38 121.76 115.80 3iwi s ALA 143 Ca 0.11 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 3iwi s ALA 143 Cb 0.05 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3iwi s ALA 143 CO -0.06 -1.92 1.36 -2.14 0.00 0.00 0.00 175.76 173.01 3iwi s PRO 144 N -4.43 3.18 -1.03 0.00 0.02 -1.26 -3.47 135.00 128.01 3iwi s PRO 144 Ca 0.67 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3iwi s PRO 144 Cb -0.22 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3iwi s PRO 144 CO 0.51 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 3iwi n GLY 145 N 0.71 -0.05 0.00 0.52 0.00 0.30 -4.90 105.19 101.78 3iwi n GLY 145 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.73 3iwi n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iwi n THR 146 N -3.94 0.02 -4.17 2.61 -2.24 -1.23 -4.87 114.28 100.46 3iwi n THR 146 Ca -0.14 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 3iwi n THR 146 Cb 0.60 -0.83 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 3iwi n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iwi s GLN 147 N -2.01 0.46 -0.24 -0.78 -1.52 -1.26 -2.24 119.66 112.06 3iwi s GLN 147 Ca -0.00 -0.18 -0.15 0.00 -1.95 0.00 0.00 55.36 53.08 3iwi s GLN 147 Cb 0.00 -0.45 -0.04 0.00 -0.22 0.00 0.00 33.01 32.30 3iwi s GLN 147 CO 0.01 0.10 0.36 0.50 -0.25 0.00 0.00 175.29 176.01 3iwi s ARG 148 N -0.04 4.07 -0.27 2.91 3.52 0.63 -4.29 118.95 125.49 3iwi s ARG 148 Ca 0.01 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3iwi s ARG 148 Cb -0.03 -3.61 0.08 0.00 -1.56 0.00 0.00 34.95 29.83 3iwi s ARG 148 CO -0.00 -0.17 0.05 -1.17 -0.81 0.00 0.00 175.30 173.20 3iwi s LEU 149 N 1.72 2.15 0.01 -0.88 2.96 -0.50 -1.45 118.68 122.69 3iwi s LEU 149 Ca 0.16 -1.35 -0.37 0.00 -0.22 0.00 0.00 54.13 52.35 3iwi s LEU 149 Cb -0.15 -0.89 -0.15 0.00 0.50 0.00 0.00 46.19 45.49 3iwi s LEU 149 CO 0.09 -0.35 1.54 0.00 -1.32 0.00 0.00 176.35 176.31 3iwi n TYR 150 N 4.84 1.89 -3.67 5.38 4.19 -1.26 -4.78 117.16 123.75 3iwi n TYR 150 Ca -0.06 0.46 -0.09 0.00 3.31 0.00 0.00 57.90 61.52 3iwi n TYR 150 Cb 0.44 -2.44 -0.10 0.00 0.49 0.00 0.00 39.34 37.73 3iwi n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3iwi s ALA 151 N 1.64 -1.21 0.40 2.98 0.00 -1.26 -4.45 121.76 119.86 3iwi s ALA 151 Ca 0.87 1.63 0.11 0.00 0.00 0.00 0.00 51.96 54.56 3iwi s ALA 151 Cb -0.89 -1.18 0.82 0.00 0.00 0.00 0.00 23.12 21.87 3iwi s ALA 151 CO 0.49 -0.52 1.92 -0.91 0.00 0.00 0.00 175.76 176.74 3iwi h ASN 152 N 7.62 0.17 0.76 0.00 2.35 -0.79 -2.54 115.58 123.15 3iwi h ASN 152 Ca -0.26 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3iwi h ASN 152 Cb 1.15 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.47 3iwi h ASN 152 CO 0.20 0.35 0.00 0.77 -1.65 0.00 0.00 177.43 177.09 3iwi h SER 153 N 0.17 0.00 0.00 5.81 4.64 -1.58 -0.51 113.55 122.09 3iwi h SER 153 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3iwi h SER 153 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3iwi h SER 153 CO 0.02 0.00 -0.26 -1.28 -0.87 0.00 0.00 176.83 174.44 3iwi h SER 154 N 0.00 0.00 0.35 4.97 0.87 -1.71 -3.26 113.55 114.77 3iwi h SER 154 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3iwi h SER 154 Cb 0.38 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3iwi h SER 154 CO 0.00 0.43 -0.35 -0.29 -0.53 0.00 0.00 176.83 176.09 3iwi h ILE 155 N -0.60 1.25 -0.61 2.23 2.10 -1.30 -1.58 117.51 119.00 3iwi h ILE 155 Ca 0.00 -1.19 -0.02 0.00 1.08 0.00 0.00 64.86 64.73 3iwi h ILE 155 Cb 0.26 1.64 -0.03 0.00 -1.09 0.00 0.00 36.82 37.61 3iwi h ILE 155 CO 0.00 0.34 0.29 1.23 -1.08 0.00 0.00 178.15 178.93 3iwi h GLY 156 N 1.05 0.94 1.19 8.18 0.00 -1.29 -0.64 103.07 112.51 3iwi h GLY 156 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3iwi h GLY 156 CO 0.05 0.45 -0.21 -2.00 0.00 0.00 0.00 176.54 174.83 3iwi h LEU 157 N 0.84 0.95 -0.41 3.11 5.85 -1.49 -2.23 115.31 121.92 3iwi h LEU 157 Ca 0.21 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3iwi h LEU 157 Cb 0.12 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3iwi h LEU 157 CO -0.03 1.12 0.05 0.15 -0.34 0.00 0.00 178.44 179.39 3iwi h PHE 158 N 0.80 0.07 -0.40 1.25 3.57 -0.94 -0.63 116.94 120.67 3iwi h PHE 158 Ca 0.11 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3iwi h PHE 158 Cb 0.76 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 3iwi h PHE 158 CO 0.05 -0.03 0.22 0.78 -2.23 0.00 0.00 178.31 177.10 3iwi h GLY 159 N 0.17 0.56 1.02 2.40 0.00 -0.88 0.62 103.07 106.96 3iwi h GLY 159 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3iwi h GLY 159 CO -0.29 0.13 0.31 0.00 0.00 0.00 0.00 176.54 176.69 3iwi h ALA 160 N 1.20 0.91 -0.00 3.60 0.00 -0.97 -3.05 119.26 120.94 3iwi h ALA 160 Ca 0.17 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3iwi h ALA 160 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iwi h ALA 160 CO -0.10 0.50 -0.85 -0.07 0.00 0.00 0.00 179.25 178.73 3iwi h LEU 161 N 0.99 0.26 -1.77 0.00 3.38 -0.85 -3.27 115.31 114.05 3iwi h LEU 161 Ca 0.24 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3iwi h LEU 161 Cb 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3iwi h LEU 161 CO -0.03 0.99 0.27 0.00 0.09 0.00 0.00 178.44 179.77 3iwi h ALA 162 N 0.99 2.01 -0.00 1.53 0.00 -0.77 -1.91 119.26 121.11 3iwi h ALA 162 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iwi h ALA 162 Cb 1.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3iwi h ALA 162 CO 0.13 -0.09 -0.43 1.33 0.00 0.00 0.00 179.25 180.19 3iwi n VAL 163 N -4.48 0.00 -0.08 0.00 0.24 -1.21 -4.44 118.33 108.36 3iwi n VAL 163 Ca 0.05 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 62.21 3iwi n VAL 163 Cb 0.26 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 3iwi n VAL 163 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iwi h LYS 164 N 0.64 0.15 -0.51 7.34 1.63 -1.42 -2.49 116.57 121.92 3iwi h LYS 164 Ca 0.00 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 3iwi h LYS 164 Cb 0.52 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 3iwi h LYS 164 CO 0.00 0.10 0.34 -1.35 -3.45 0.00 0.00 179.45 175.09 3iwi h PRO 165 N 0.15 0.51 0.00 1.90 0.11 -1.77 -0.95 132.00 131.95 3iwi h PRO 165 Ca 0.14 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3iwi h PRO 165 Cb 0.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 3iwi h PRO 165 CO -0.20 0.34 -0.07 0.66 -0.21 0.00 0.00 178.00 178.52 3iwi h SER 166 N 0.53 0.00 0.00 -2.05 4.64 -1.74 -3.46 113.55 111.46 3iwi h SER 166 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3iwi h SER 166 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3iwi h SER 166 CO -0.06 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3iwi n GLY 167 N -0.82 0.80 3.86 -0.77 0.00 -0.36 -5.02 105.19 102.89 3iwi n GLY 167 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3iwi n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwi s LEU 168 N 0.00 3.89 0.81 0.99 1.43 -1.26 -5.07 118.68 119.48 3iwi s LEU 168 Ca 0.00 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 3iwi s LEU 168 Cb 0.00 -4.12 0.08 0.00 0.03 0.00 0.00 46.19 42.18 3iwi s LEU 168 CO 0.00 -0.36 1.14 -0.94 0.23 0.00 0.00 176.35 176.42 3iwi s SER 169 N -2.80 3.87 0.20 2.29 1.04 -1.26 -4.71 113.70 112.33 3iwi s SER 169 Ca 0.54 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.95 3iwi s SER 169 Cb -0.10 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.67 3iwi s SER 169 CO 0.26 -2.47 1.79 0.15 0.98 0.00 0.00 173.24 173.95 3iwi h PHE 170 N -1.15 0.54 -0.52 5.02 3.57 -1.93 0.03 116.94 122.51 3iwi h PHE 170 Ca -0.44 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 3iwi h PHE 170 Cb 1.26 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3iwi h PHE 170 CO 0.52 0.24 0.18 1.49 -2.23 0.00 0.00 178.31 178.52 3iwi h GLU 171 N 0.56 0.79 -0.31 1.11 4.81 -1.98 -0.22 114.58 119.34 3iwi h GLU 171 Ca 0.27 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3iwi h GLU 171 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3iwi h GLU 171 CO -0.20 0.72 -0.35 1.96 -0.73 0.00 0.00 179.01 180.41 3iwi h GLN 172 N 0.70 0.69 -0.18 1.92 1.08 -1.83 -0.57 115.11 116.92 3iwi h GLN 172 Ca 0.17 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 3iwi h GLN 172 Cb 0.24 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3iwi h GLN 172 CO -0.01 0.93 0.08 0.00 -0.95 0.00 0.00 178.83 178.89 3iwi h ALA 173 N 1.04 0.23 -0.61 3.87 0.00 -0.82 -1.01 119.26 121.96 3iwi h ALA 173 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iwi h ALA 173 Cb 0.87 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3iwi h ALA 173 CO 0.08 -0.21 0.40 1.98 0.00 0.00 0.00 179.25 181.50 3iwi h MET 174 N 0.15 0.80 0.03 0.00 1.85 -0.85 -0.06 114.93 116.85 3iwi h MET 174 Ca 0.06 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 3iwi h MET 174 Cb 0.13 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.98 3iwi h MET 174 CO -0.01 0.53 -0.01 1.96 -0.40 0.00 0.00 176.91 178.98 3iwi h GLN 175 N 0.82 -0.03 0.00 0.39 4.20 -0.98 -1.11 115.11 118.40 3iwi h GLN 175 Ca 0.22 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 3iwi h GLN 175 Cb -0.09 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3iwi h GLN 175 CO -0.05 0.22 -0.67 1.79 -0.67 0.00 0.00 178.83 179.45 3iwi h THR 176 N -0.28 1.23 0.00 -0.54 1.35 -1.10 0.14 112.91 113.70 3iwi h THR 176 Ca -0.00 -2.52 -0.03 0.00 -0.55 0.00 0.00 66.41 63.30 3iwi h THR 176 Cb 0.27 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3iwi h THR 176 CO 0.01 0.66 -1.92 0.54 -0.25 0.00 0.00 175.52 174.55 3iwi n ARG 177 N -3.38 0.64 0.07 4.72 1.74 -0.04 -4.45 116.66 115.95 3iwi n ARG 177 Ca 0.01 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3iwi n ARG 177 Cb 0.76 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3iwi n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iwi n VAL 178 N -2.23 0.97 0.03 1.55 0.31 -0.68 -4.72 118.33 113.56 3iwi n VAL 178 Ca -0.06 0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 64.47 3iwi n VAL 178 Cb 0.57 -1.36 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 3iwi n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3iwi h PHE 179 N 0.00 0.03 -0.15 3.52 0.04 -1.24 -2.91 116.94 116.24 3iwi h PHE 179 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3iwi h PHE 179 Cb 0.00 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3iwi h PHE 179 CO 0.00 0.06 -0.07 1.96 -0.60 0.00 0.00 178.31 179.66 3iwi h GLN 180 N -0.00 0.30 -0.42 1.51 4.20 -1.20 -0.36 115.11 119.14 3iwi h GLN 180 Ca 0.01 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 58.65 3iwi h GLN 180 Cb 0.03 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3iwi h GLN 180 CO -0.00 0.62 0.28 -1.35 -0.67 0.00 0.00 178.83 177.71 3iwi h PRO 181 N -0.03 0.29 -0.18 1.46 0.11 -1.78 -1.27 132.00 130.60 3iwi h PRO 181 Ca 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3iwi h PRO 181 Cb 0.53 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3iwi h PRO 181 CO 0.02 0.19 0.00 1.28 -0.21 0.00 0.00 178.00 179.28 3iwi n LEU 182 N -4.47 1.97 -3.66 2.35 4.77 -1.10 -4.94 117.00 111.92 3iwi n LEU 182 Ca 0.06 -0.81 -0.24 0.00 -0.03 0.00 0.00 56.01 54.99 3iwi n LEU 182 Cb 0.28 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3iwi n LEU 182 CO 0.35 0.40 0.17 0.29 -1.33 0.00 0.00 177.39 177.27 3iwi n LYS 183 N 0.52 -6.99 -2.96 3.23 5.02 -0.48 -4.91 118.16 111.60 3iwi n LYS 183 Ca 0.17 0.76 -0.44 0.00 -2.02 0.00 0.00 58.31 56.78 3iwi n LYS 183 Cb 0.38 -5.74 0.00 0.00 -0.02 0.00 0.00 35.03 29.65 3iwi n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iwi n LEU 184 N -4.75 5.30 -0.15 -0.35 4.77 -0.20 -4.82 117.00 116.80 3iwi n LEU 184 Ca -0.05 -4.51 0.15 0.00 -0.03 0.00 0.00 56.01 51.57 3iwi n LEU 184 Cb 0.58 -1.60 0.75 0.00 -2.33 0.00 0.00 43.42 40.82 3iwi n LEU 184 CO 0.67 0.80 0.99 0.59 -1.33 0.00 0.00 177.39 179.11 3iwi n ASN 185 N 5.34 0.48 -2.29 -1.43 3.02 -1.26 -3.40 115.26 115.72 3iwi n ASN 185 Ca 0.36 -0.97 -0.06 0.00 -0.03 0.00 0.00 54.58 53.88 3iwi n ASN 185 Cb 0.42 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.60 3iwi n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3iwi n HIS 186 N -0.72 1.43 -4.97 3.10 8.25 -1.26 -5.04 115.22 116.01 3iwi n HIS 186 Ca 0.20 -1.91 -0.30 0.00 -0.26 0.00 0.00 57.72 55.45 3iwi n HIS 186 Cb 0.22 -0.25 -0.17 0.00 1.12 0.00 0.00 29.99 30.91 3iwi n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3iwi s THR 187 N -3.51 1.77 -0.01 1.59 2.01 -1.22 -3.77 115.64 112.49 3iwi s THR 187 Ca 0.35 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 3iwi s THR 187 Cb 0.36 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 71.33 3iwi s THR 187 CO -0.04 0.50 0.24 0.26 -0.69 0.00 0.00 174.62 174.89 3iwi s TRP 188 N 0.50 -0.11 -0.21 4.92 0.52 -0.44 -5.01 118.94 119.12 3iwi s TRP 188 Ca -0.16 0.15 -0.21 0.00 0.02 0.00 0.00 56.10 55.90 3iwi s TRP 188 Cb -0.17 0.04 -0.19 0.00 -1.15 0.00 0.00 33.47 32.00 3iwi s TRP 188 CO 0.06 -0.33 0.22 0.82 0.02 0.00 0.00 176.95 177.74 3iwi h ILE 189 N 4.07 0.91 -3.59 2.03 2.04 -1.85 0.20 117.51 121.32 3iwi h ILE 189 Ca -0.30 -2.18 -0.70 0.00 1.00 0.00 0.00 64.86 62.67 3iwi h ILE 189 Cb 1.18 2.24 -0.24 0.00 -0.74 0.00 0.00 36.82 39.26 3iwi h ILE 189 CO 0.40 0.33 -0.52 0.20 0.00 0.00 0.00 178.15 178.56 3iwi s ASN 190 N -6.86 5.72 -0.09 1.72 0.01 -1.26 -4.77 114.94 109.42 3iwi s ASN 190 Ca -0.29 -0.95 -0.30 0.00 -0.71 0.00 0.00 52.86 50.62 3iwi s ASN 190 Cb 0.06 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 3iwi s ASN 190 CO 0.60 -0.37 1.47 -0.69 -1.51 0.00 0.00 177.10 176.60 3iwi s VAL 191 N 1.56 3.87 0.74 1.60 1.01 -1.26 -5.01 120.40 122.90 3iwi s VAL 191 Ca 0.02 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 3iwi s VAL 191 Cb -0.19 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3iwi s VAL 191 CO 0.07 -0.08 1.08 -2.16 0.00 0.00 0.00 175.10 174.00 3iwi s PRO 192 N 3.63 2.61 0.33 2.72 0.04 -1.26 -4.89 135.00 138.18 3iwi s PRO 192 Ca 0.65 0.77 0.08 0.00 0.04 0.00 0.00 61.00 62.54 3iwi s PRO 192 Cb -0.29 -1.97 0.78 0.00 0.04 0.00 0.00 34.50 33.06 3iwi s PRO 192 CO 0.23 -1.28 1.83 -1.35 0.04 0.00 0.00 177.00 176.47 3iwi h PRO 193 N -0.85 0.72 0.00 0.56 0.11 -2.02 -0.91 132.00 129.62 3iwi h PRO 193 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iwi h PRO 193 Cb 1.24 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3iwi h PRO 193 CO 0.59 0.48 -0.02 0.00 -0.21 0.00 0.00 178.00 178.83 3iwi h ALA 194 N 1.60 1.41 -0.00 -0.75 0.00 -2.03 -2.09 119.26 117.40 3iwi h ALA 194 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3iwi h ALA 194 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3iwi h ALA 194 CO -0.27 0.03 -0.69 0.39 0.00 0.00 0.00 179.25 178.71 3iwi n GLU 195 N -3.71 0.17 -0.31 0.00 -0.58 -0.35 -4.49 120.64 111.38 3iwi n GLU 195 Ca -0.03 -0.13 0.09 0.00 -0.42 0.00 0.00 57.16 56.67 3iwi n GLU 195 Cb 0.11 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 29.79 3iwi n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3iwi h GLU 196 N 0.31 0.84 0.00 3.49 5.08 -1.28 0.54 114.58 123.56 3iwi h GLU 196 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iwi h GLU 196 Cb 0.52 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iwi h GLU 196 CO 0.00 0.56 0.00 1.57 -1.00 0.00 0.00 179.01 180.14 3iwi h LYS 197 N 0.86 0.00 -0.01 2.33 2.10 -1.79 -2.29 116.57 117.78 3iwi h LYS 197 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3iwi h LYS 197 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3iwi h LYS 197 CO -0.22 0.00 -0.35 0.09 -2.00 0.00 0.00 179.45 176.97 3iwi n ASN 198 N -2.93 1.90 -4.54 7.07 3.02 0.14 -4.91 115.26 115.00 3iwi n ASN 198 Ca -0.01 -1.45 -0.43 0.00 -0.03 0.00 0.00 54.58 52.66 3iwi n ASN 198 Cb 0.17 0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 3iwi n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3iwi s TYR 199 N -2.09 2.80 0.50 3.10 5.04 -0.86 -0.50 117.35 125.33 3iwi s TYR 199 Ca 0.16 0.15 -0.22 0.00 -2.44 0.00 0.00 57.07 54.72 3iwi s TYR 199 Cb 0.15 -4.11 -0.08 0.00 0.35 0.00 0.00 41.96 38.27 3iwi s TYR 199 CO 0.45 -1.32 1.06 0.00 -1.34 0.00 0.00 175.55 174.40 3iwi n ALA 200 N 7.52 0.48 -1.77 3.97 0.00 -0.37 -4.93 120.51 125.42 3iwi n ALA 200 Ca 0.04 0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 3iwi n ALA 200 Cb 0.48 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 3iwi n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iwi s TRP 201 N -1.35 3.72 0.48 0.00 0.52 -0.34 -4.92 118.94 117.04 3iwi s TRP 201 Ca 0.68 1.80 -0.07 0.00 0.02 0.00 0.00 56.10 58.53 3iwi s TRP 201 Cb -0.48 -3.01 -0.04 0.00 -1.15 0.00 0.00 33.47 28.79 3iwi s TRP 201 CO 0.53 0.10 0.80 0.20 0.02 0.00 0.00 176.95 178.60 3iwi s GLY 202 N -1.39 1.60 -0.13 0.98 0.00 -0.04 -4.82 107.32 103.51 3iwi s GLY 202 Ca 0.48 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 3iwi s GLY 202 CO 0.29 -0.23 -0.10 -0.19 0.00 0.00 0.00 173.10 172.86 3iwi s TYR 203 N -2.70 1.80 -0.14 1.90 2.02 -0.57 0.04 117.35 119.69 3iwi s TYR 203 Ca 0.49 -0.96 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3iwi s TYR 203 Cb -0.10 -1.40 0.04 0.00 -0.40 0.00 0.00 41.96 40.09 3iwi s TYR 203 CO 0.43 -0.59 -0.05 0.50 -1.57 0.00 0.00 175.55 174.27 3iwi s ARG 204 N 1.61 1.38 -1.47 -0.62 3.52 -0.63 -4.36 118.95 118.39 3iwi s ARG 204 Ca 0.05 -0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 55.16 3iwi s ARG 204 Cb -0.13 -1.79 0.07 0.00 -1.56 0.00 0.00 34.95 31.54 3iwi s ARG 204 CO -0.09 -0.37 0.79 0.39 -0.81 0.00 0.00 175.30 175.20 3iwi n GLU 205 N 4.92 -4.81 -0.67 5.12 1.02 -1.26 -1.27 120.64 123.69 3iwi n GLU 205 Ca -0.12 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3iwi n GLU 205 Cb 0.49 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 3iwi n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwi n GLY 206 N -1.52 1.40 3.79 0.62 0.00 -1.26 -5.01 105.19 103.21 3iwi n GLY 206 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3iwi n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwi s LYS 207 N -0.08 3.97 -0.04 1.61 1.02 -0.40 -5.04 119.74 120.78 3iwi s LYS 207 Ca 0.00 0.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.78 3iwi s LYS 207 Cb 0.00 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 3iwi s LYS 207 CO 0.00 0.48 1.45 0.00 -0.92 0.00 0.00 175.35 176.37 3iwi s ALA 208 N -0.27 3.61 0.04 5.17 0.00 -1.26 -1.60 121.76 127.45 3iwi s ALA 208 Ca 0.17 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3iwi s ALA 208 Cb -0.13 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3iwi s ALA 208 CO 0.06 -1.08 -0.08 0.14 0.00 0.00 0.00 175.76 174.80 3iwi s VAL 209 N 2.97 0.54 0.10 0.00 -7.23 0.11 -4.94 120.40 111.96 3iwi s VAL 209 Ca 0.65 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.88 3iwi s VAL 209 Cb -0.31 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 3iwi s VAL 209 CO 0.26 -0.35 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.49 3iwi s HIS 210 N -1.29 1.79 0.69 2.82 3.76 -1.26 -0.86 115.29 120.93 3iwi s HIS 210 Ca -0.09 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.23 3iwi s HIS 210 Cb -0.09 -0.98 0.01 0.00 1.11 0.00 0.00 32.58 32.63 3iwi s HIS 210 CO 0.00 0.21 1.27 0.00 -0.85 0.00 0.00 174.74 175.37 3iwi n ALA 211 N 1.05 0.83 -1.69 -1.40 0.00 -1.26 -4.97 120.51 113.07 3iwi n ALA 211 Ca -0.19 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 3iwi n ALA 211 Cb 0.54 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.74 3iwi n ALA 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwi n ALA 212 N -2.29 0.93 -1.64 0.00 0.00 -1.26 -4.93 120.51 111.33 3iwi n ALA 212 Ca 0.15 0.05 -0.46 0.00 0.00 0.00 0.00 53.44 53.18 3iwi n ALA 212 Cb 0.49 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3iwi n ALA 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwi n ALA 213 N -1.56 0.43 -1.69 0.00 0.00 -1.26 -4.91 120.51 111.52 3iwi n ALA 213 Ca 0.13 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.63 3iwi n ALA 213 Cb 0.46 -2.17 0.05 0.00 0.00 0.00 0.00 19.45 17.79 3iwi n ALA 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3iwi s VAL 214 N -0.36 2.49 -0.00 0.00 -7.23 -1.26 -5.04 120.40 109.00 3iwi s VAL 214 Ca 0.67 0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 61.04 3iwi s VAL 214 Cb -0.70 -3.07 0.01 0.00 0.56 0.00 0.00 36.38 33.18 3iwi s VAL 214 CO 0.53 -0.08 0.17 -0.94 -0.31 0.00 0.00 175.10 174.48 3iwi s SER 215 N -1.64 -0.02 0.32 4.85 1.04 -1.26 -5.00 113.70 111.99 3iwi s SER 215 Ca 0.78 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 57.08 3iwi s SER 215 Cb -0.31 0.23 0.55 0.00 0.10 0.00 0.00 66.02 66.58 3iwi s SER 215 CO 0.36 -0.38 1.95 1.55 0.98 0.00 0.00 173.24 177.70 3iwi h PRO 216 N 4.24 0.97 0.00 4.02 0.13 -1.96 -2.39 132.00 137.00 3iwi h PRO 216 Ca -0.30 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3iwi h PRO 216 Cb 1.19 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3iwi h PRO 216 CO 0.40 0.64 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 3iwi n GLY 217 N -1.41 -1.28 0.02 1.56 0.00 -1.24 -2.68 105.19 100.14 3iwi n GLY 217 Ca 0.11 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3iwi n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwi n ALA 218 N -1.78 3.03 -3.27 4.61 0.00 -0.92 -4.67 120.51 117.51 3iwi n ALA 218 Ca 0.02 -0.50 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 3iwi n ALA 218 Cb 0.23 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 3iwi n ALA 218 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iwi n LEU 219 N -2.19 -1.55 0.04 0.00 4.77 -1.09 -4.74 117.00 112.23 3iwi n LEU 219 Ca -0.03 -0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 55.54 3iwi n LEU 219 Cb 0.54 -2.15 -0.13 0.00 -2.33 0.00 0.00 43.42 39.35 3iwi n LEU 219 CO 0.45 0.14 -0.09 -2.24 -1.33 0.00 0.00 177.39 174.32 3iwi h ASP 220 N -0.90 0.03 -0.91 -1.43 2.03 -1.88 -2.62 116.42 110.73 3iwi h ASP 220 Ca -0.42 -0.03 0.08 0.00 -0.73 0.00 0.00 57.03 55.93 3iwi h ASP 220 Cb 1.28 -0.01 -0.07 0.00 -0.83 0.00 0.00 39.33 39.71 3iwi h ASP 220 CO 0.51 1.03 0.57 0.00 -1.03 0.00 0.00 179.24 180.32 3iwi h ALA 221 N 0.97 1.29 0.00 4.15 0.00 -1.89 0.16 119.26 123.93 3iwi h ALA 221 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3iwi h ALA 221 Cb 1.86 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3iwi h ALA 221 CO 0.12 0.28 -0.77 0.93 0.00 0.00 0.00 179.25 179.80 3iwi h GLU 222 N 0.99 0.00 0.00 0.00 3.07 -1.87 -3.30 114.58 113.47 3iwi h GLU 222 Ca 0.41 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.01 3iwi h GLU 222 Cb 0.26 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 3iwi h GLU 222 CO -0.20 0.77 -2.00 0.00 -1.40 0.00 0.00 179.01 176.18 3iwi n ALA 223 N -2.37 1.63 -2.04 3.43 0.00 -0.99 -4.59 120.51 115.57 3iwi n ALA 223 Ca -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 53.44 52.56 3iwi n ALA 223 Cb 0.76 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 3iwi n ALA 223 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3iwi n TYR 224 N -2.80 0.00 -0.28 0.00 0.18 0.08 -3.72 117.16 110.61 3iwi n TYR 224 Ca -0.28 -0.27 0.09 0.00 1.88 0.00 0.00 57.90 59.31 3iwi n TYR 224 Cb 0.89 0.31 0.24 0.00 -0.38 0.00 0.00 39.34 40.41 3iwi n TYR 224 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iwi n GLY 225 N 0.04 2.66 3.78 -7.48 0.00 0.33 -3.71 105.19 100.80 3iwi n GLY 225 Ca -0.13 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3iwi n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwi s VAL 226 N -1.03 4.54 -0.05 1.61 1.01 -1.26 -4.45 120.40 120.76 3iwi s VAL 226 Ca 0.36 1.55 0.04 0.00 0.00 0.00 0.00 61.98 63.93 3iwi s VAL 226 Cb 0.19 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3iwi s VAL 226 CO 0.24 0.50 -0.17 -0.54 0.00 0.00 0.00 175.10 175.14 3iwi s LYS 227 N -0.92 2.53 0.23 2.72 3.01 0.70 -1.19 119.74 126.82 3iwi s LYS 227 Ca 0.34 -0.74 -0.17 0.00 -1.01 0.00 0.00 55.97 54.39 3iwi s LYS 227 Cb -0.22 -2.34 0.02 0.00 -1.01 0.00 0.00 37.83 34.28 3iwi s LYS 227 CO 0.24 0.56 0.57 0.45 0.51 0.00 0.00 175.35 177.68 3iwi s SER 228 N -0.57 -0.22 0.35 2.83 0.15 -0.41 -1.32 113.70 114.51 3iwi s SER 228 Ca 0.08 -0.64 0.07 0.00 0.70 0.00 0.00 55.95 56.16 3iwi s SER 228 Cb -0.11 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 3iwi s SER 228 CO 0.01 -1.16 0.47 0.42 1.20 0.00 0.00 173.24 174.18 3iwi s THR 229 N -3.93 3.77 0.37 6.45 -4.23 -1.25 -0.74 115.64 116.09 3iwi s THR 229 Ca 0.13 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.66 3iwi s THR 229 Cb -0.02 -3.30 0.19 0.00 1.34 0.00 0.00 72.50 70.71 3iwi s THR 229 CO 0.03 -0.12 1.94 -0.29 -0.54 0.00 0.00 174.62 175.64 3iwi h ILE 230 N 0.88 1.17 -0.25 2.99 6.09 -1.72 -0.14 117.51 126.52 3iwi h ILE 230 Ca -0.44 -0.61 -0.07 0.00 -1.37 0.00 0.00 64.86 62.37 3iwi h ILE 230 Cb 1.26 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.40 3iwi h ILE 230 CO 0.52 0.21 -0.11 -0.08 -3.07 0.00 0.00 178.15 175.62 3iwi h GLU 231 N 0.47 0.52 -0.37 2.19 4.81 -1.93 -1.10 114.58 119.17 3iwi h GLU 231 Ca 0.11 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 3iwi h GLU 231 Cb 0.22 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3iwi h GLU 231 CO -0.00 0.77 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.33 3iwi h ASP 232 N 0.25 0.79 0.10 1.04 5.19 -1.81 -2.33 116.42 119.66 3iwi h ASP 232 Ca 0.06 -0.31 -0.09 0.00 -0.62 0.00 0.00 57.03 56.07 3iwi h ASP 232 Cb 0.61 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3iwi h ASP 232 CO 0.03 1.03 -0.31 0.24 -3.12 0.00 0.00 179.24 177.11 3iwi h MET 233 N 0.66 0.31 -0.67 3.56 2.86 -0.96 -0.31 114.93 120.38 3iwi h MET 233 Ca 0.08 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3iwi h MET 233 Cb 0.80 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 3iwi h MET 233 CO 0.07 0.60 0.29 0.00 1.06 0.00 0.00 176.91 178.92 3iwi h ALA 234 N 1.40 0.87 -0.52 6.32 0.00 -1.00 -0.20 119.26 126.13 3iwi h ALA 234 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3iwi h ALA 234 Cb 0.69 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3iwi h ALA 234 CO 0.05 0.47 0.09 -0.09 0.00 0.00 0.00 179.25 179.78 3iwi h ARG 235 N 0.94 0.81 -0.44 0.00 2.43 -0.91 -0.66 114.38 116.56 3iwi h ARG 235 Ca 0.23 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3iwi h ARG 235 Cb 0.18 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3iwi h ARG 235 CO -0.02 0.76 0.23 2.35 -1.51 0.00 0.00 179.97 181.78 3iwi h TRP 236 N 0.78 0.62 -0.37 2.20 -0.00 -0.64 -0.52 115.95 118.02 3iwi h TRP 236 Ca 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 3iwi h TRP 236 Cb 0.33 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 3iwi h TRP 236 CO 0.02 0.48 0.19 0.28 -0.00 0.00 0.00 178.44 179.40 3iwi h VAL 237 N 0.58 1.16 -0.87 2.65 2.07 -0.67 -1.80 116.25 119.37 3iwi h VAL 237 Ca 0.15 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3iwi h VAL 237 Cb 0.07 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 3iwi h VAL 237 CO -0.02 0.17 0.53 1.56 0.02 0.00 0.00 177.57 179.82 3iwi h GLN 238 N 0.47 0.90 -0.40 1.57 4.20 -0.89 0.15 115.11 121.10 3iwi h GLN 238 Ca 0.13 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3iwi h GLN 238 Cb 0.10 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3iwi h GLN 238 CO -0.02 0.59 -0.08 0.77 -0.67 0.00 0.00 178.83 179.42 3iwi h SER 239 N 0.92 0.68 1.23 1.46 0.02 -0.80 -1.25 113.55 115.81 3iwi h SER 239 Ca 0.39 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 3iwi h SER 239 Cb 0.26 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3iwi h SER 239 CO -0.20 0.80 -0.79 0.78 -1.14 0.00 0.00 176.83 176.28 3iwi h ASN 240 N 0.64 0.00 -0.33 3.07 2.35 -0.77 -2.94 115.58 117.61 3iwi h ASN 240 Ca 0.12 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 3iwi h ASN 240 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3iwi h ASN 240 CO 0.03 0.69 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.18 3iwi h LEU 241 N 0.00 0.85 -6.00 1.61 3.38 -0.46 -3.40 115.31 111.28 3iwi h LEU 241 Ca -0.03 -0.32 -0.55 0.00 0.09 0.00 0.00 57.88 57.06 3iwi h LEU 241 Cb 1.55 -0.23 -0.40 0.00 0.09 0.00 0.00 40.66 41.67 3iwi h LEU 241 CO 0.09 1.06 -1.05 0.29 0.09 0.00 0.00 178.44 178.91 3iwi n LYS 242 N -4.10 1.03 0.31 1.13 5.02 -0.50 -4.83 118.16 116.22 3iwi n LYS 242 Ca -0.00 -3.46 0.21 0.00 -2.02 0.00 0.00 58.31 53.03 3iwi n LYS 242 Cb 0.46 -1.44 1.06 0.00 -0.02 0.00 0.00 35.03 35.09 3iwi n LYS 242 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3iwi h PRO 243 N 3.84 0.00 0.00 1.97 0.13 -1.74 -2.62 132.00 133.58 3iwi h PRO 243 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3iwi h PRO 243 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3iwi h PRO 243 CO 0.52 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.22 3iwi h LEU 244 N 0.00 0.00 -0.06 1.56 3.38 -1.91 -1.92 115.31 116.36 3iwi h LEU 244 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iwi h LEU 244 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3iwi h LEU 244 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3iwi n ASP 245 N -2.73 0.13 -4.68 -0.43 9.92 -0.99 -4.78 116.55 112.99 3iwi n ASP 245 Ca 0.02 0.52 -0.42 0.00 -0.53 0.00 0.00 54.79 54.39 3iwi n ASP 245 Cb 0.33 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.22 3iwi n ASP 245 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3iwi s ILE 246 N -3.04 4.86 0.21 0.53 1.01 -0.72 -4.96 121.20 119.10 3iwi s ILE 246 Ca 0.10 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.53 3iwi s ILE 246 Cb 0.14 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 3iwi s ILE 246 CO 0.42 0.04 1.52 0.78 0.00 0.00 0.00 174.94 177.70 3iwi h ASN 247 N 7.19 0.38 -3.40 3.58 2.35 -1.88 -3.43 115.58 120.37 3iwi h ASN 247 Ca -0.31 -0.23 -0.57 0.00 -0.55 0.00 0.00 56.30 54.65 3iwi h ASN 247 Cb 1.14 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 39.34 3iwi h ASN 247 CO 0.83 0.91 1.00 -1.61 -1.65 0.00 0.00 177.43 176.92 3iwi s GLU 248 N -3.77 3.69 0.21 0.81 8.01 -1.26 -4.90 118.70 121.49 3iwi s GLU 248 Ca -0.05 0.86 -0.09 0.00 0.01 0.00 0.00 54.97 55.71 3iwi s GLU 248 Cb 0.11 -3.96 0.15 0.00 -4.31 0.00 0.00 34.13 26.13 3iwi s GLU 248 CO 0.82 -1.42 1.79 0.87 0.01 0.00 0.00 175.26 177.33 3iwi h LYS 249 N 9.94 1.14 -0.08 1.61 1.57 -2.00 -1.10 116.57 127.65 3iwi h LYS 249 Ca -0.26 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.26 3iwi h LYS 249 Cb 1.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3iwi h LYS 249 CO 1.09 0.89 -0.36 1.79 -0.57 0.00 0.00 179.45 182.29 3iwi h THR 250 N 1.11 1.28 -0.10 -0.16 1.35 -1.92 -1.64 112.91 112.83 3iwi h THR 250 Ca 0.27 -1.35 -0.21 0.00 -0.55 0.00 0.00 66.41 64.57 3iwi h THR 250 Cb 0.15 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3iwi h THR 250 CO -0.03 0.40 -0.76 0.25 -0.25 0.00 0.00 175.52 175.13 3iwi h LEU 251 N 0.13 0.84 -0.32 3.87 5.85 -1.72 0.13 115.31 124.10 3iwi h LEU 251 Ca 0.01 -0.66 0.07 0.00 0.84 0.00 0.00 57.88 58.14 3iwi h LEU 251 Cb 0.70 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3iwi h LEU 251 CO 0.05 1.38 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.77 3iwi h GLN 252 N 0.38 -0.10 -0.48 1.25 4.15 -1.10 -0.78 115.11 118.42 3iwi h GLN 252 Ca -0.07 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 3iwi h GLN 252 Cb 1.40 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.10 3iwi h GLN 252 CO 0.15 -0.07 0.14 1.96 -1.93 0.00 0.00 178.83 179.08 3iwi h GLN 253 N -0.10 0.76 -0.65 1.69 4.20 -1.18 -2.41 115.11 117.43 3iwi h GLN 253 Ca 0.16 -0.17 0.08 0.00 0.06 0.00 0.00 58.65 58.78 3iwi h GLN 253 Cb 0.35 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 3iwi h GLN 253 CO -0.39 0.73 0.30 0.78 -0.67 0.00 0.00 178.83 179.59 3iwi h GLY 254 N 0.65 0.94 0.94 3.46 0.00 -0.33 0.15 103.07 108.89 3iwi h GLY 254 Ca 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.31 3iwi h GLY 254 CO -0.00 0.05 0.19 -2.22 0.00 0.00 0.00 176.54 174.56 3iwi h ILE 255 N 0.54 1.04 -0.66 2.60 2.04 -1.00 -1.41 117.51 120.66 3iwi h ILE 255 Ca 0.31 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 3iwi h ILE 255 Cb 0.32 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3iwi h ILE 255 CO -0.26 0.07 0.40 1.56 0.00 0.00 0.00 178.15 179.92 3iwi h GLN 256 N 0.38 0.89 -0.25 2.37 4.20 -0.86 -2.68 115.11 119.17 3iwi h GLN 256 Ca 0.12 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3iwi h GLN 256 Cb -0.01 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3iwi h GLN 256 CO -0.05 0.64 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.61 3iwi h LEU 257 N 0.89 0.36 -1.31 1.46 3.38 -0.44 -2.69 115.31 116.97 3iwi h LEU 257 Ca 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3iwi h LEU 257 Cb -0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iwi h LEU 257 CO -0.04 0.48 -0.09 0.00 0.09 0.00 0.00 178.44 178.87 3iwi h ALA 258 N 1.57 1.02 -0.32 1.53 0.00 -0.92 -2.35 119.26 119.79 3iwi h ALA 258 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwi h ALA 258 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iwi h ALA 258 CO 0.02 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.42 3iwi n GLN 259 N -3.23 2.32 -2.03 0.00 6.02 -1.03 -0.90 117.38 118.53 3iwi n GLN 259 Ca 0.00 -1.99 -0.35 0.00 -0.01 0.00 0.00 57.00 54.65 3iwi n GLN 259 Cb 0.36 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.16 3iwi n GLN 259 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3iwi s SER 260 N -1.53 5.28 -0.43 1.08 0.01 -0.88 -3.93 113.70 113.30 3iwi s SER 260 Ca 0.37 2.30 -0.16 0.00 1.31 0.00 0.00 55.95 59.77 3iwi s SER 260 Cb 0.21 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.89 3iwi s SER 260 CO 0.30 -1.53 0.35 -0.13 0.41 0.00 0.00 173.24 172.65 3iwi s ARG 261 N -3.40 2.99 -0.13 12.44 0.52 0.18 -4.04 118.95 127.50 3iwi s ARG 261 Ca 0.75 -1.07 0.12 0.00 -0.52 0.00 0.00 55.73 55.02 3iwi s ARG 261 Cb -0.28 -4.02 -0.24 0.00 0.52 0.00 0.00 34.95 30.94 3iwi s ARG 261 CO 0.33 -0.85 0.33 0.66 0.02 0.00 0.00 175.30 175.78 3iwi n TYR 262 N 5.26 0.55 -3.85 -0.53 4.01 -0.63 -2.32 117.16 119.65 3iwi n TYR 262 Ca -0.11 0.18 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 3iwi n TYR 262 Cb 0.46 -1.10 -0.10 0.00 -0.31 0.00 0.00 39.34 38.30 3iwi n TYR 262 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3iwi s TRP 263 N -2.55 -0.00 -0.06 -0.72 0.52 -1.25 -2.13 118.94 112.76 3iwi s TRP 263 Ca -0.11 -0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.00 3iwi s TRP 263 Cb 0.07 -0.02 -0.02 0.00 -1.15 0.00 0.00 33.47 32.35 3iwi s TRP 263 CO 0.80 -0.30 -0.21 -1.14 0.02 0.00 0.00 176.95 176.12 3iwi s GLN 264 N -1.36 2.61 -0.14 4.98 0.74 -0.16 -1.30 119.66 125.03 3iwi s GLN 264 Ca -0.14 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.42 3iwi s GLN 264 Cb -0.07 -2.26 0.04 0.00 1.10 0.00 0.00 33.01 31.82 3iwi s GLN 264 CO 0.02 0.44 0.01 -0.08 -0.55 0.00 0.00 175.29 175.12 3iwi s THR 265 N -0.28 0.56 0.00 -0.34 -1.32 -0.07 -0.92 115.64 113.27 3iwi s THR 265 Ca 0.00 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 3iwi s THR 265 Cb -0.13 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3iwi s THR 265 CO 0.03 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3iwi n GLY 266 N 5.06 3.85 1.00 6.08 0.00 -1.26 -1.47 105.19 118.45 3iwi n GLY 266 Ca -0.09 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3iwi n GLY 266 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iwi n ASP 267 N 6.63 2.93 -4.64 1.61 5.75 -1.26 -4.93 116.55 122.64 3iwi n ASP 267 Ca 0.00 -1.95 -0.31 0.00 -0.01 0.00 0.00 54.79 52.53 3iwi n ASP 267 Cb 0.00 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 39.71 3iwi n ASP 267 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3iwi s MET 268 N -1.41 2.47 -0.04 0.11 1.75 -0.54 -4.45 119.30 117.20 3iwi s MET 268 Ca 0.37 -0.84 0.07 0.00 -1.25 0.00 0.00 55.69 54.04 3iwi s MET 268 Cb 0.20 -2.49 -0.01 0.00 2.84 0.00 0.00 34.83 35.37 3iwi s MET 268 CO 0.28 0.55 -0.24 0.71 -0.65 0.00 0.00 175.02 175.67 3iwi s TYR 269 N -1.21 2.21 -0.23 4.11 2.02 0.65 -0.90 117.35 124.01 3iwi s TYR 269 Ca 0.22 -0.53 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 3iwi s TYR 269 Cb -0.11 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 3iwi s TYR 269 CO 0.14 -0.12 0.37 -1.14 -1.57 0.00 0.00 175.55 173.24 3iwi s GLN 270 N -0.35 4.11 0.00 -0.62 2.00 -0.42 -0.96 119.66 123.42 3iwi s GLN 270 Ca 0.03 0.11 0.00 0.00 -2.00 0.00 0.00 55.36 53.50 3iwi s GLN 270 Cb -0.11 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.12 3iwi s GLN 270 CO 0.01 -0.12 0.00 0.41 -0.50 0.00 0.00 175.29 175.09 3iwi n GLY 271 N 4.23 2.04 3.38 2.59 0.00 -0.16 -1.60 105.19 115.67 3iwi n GLY 271 Ca -0.09 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.50 3iwi n GLY 271 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwi s LEU 272 N 0.00 5.54 0.00 0.99 1.43 -0.08 -4.64 118.68 121.92 3iwi s LEU 272 Ca 0.00 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 3iwi s LEU 272 Cb 0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3iwi s LEU 272 CO 0.00 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.27 3iwi n GLY 273 N 5.24 1.81 3.74 -3.19 0.00 -1.26 -4.30 105.19 107.23 3iwi n GLY 273 Ca -0.10 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3iwi n GLY 273 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iwi n TRP 274 N 0.00 2.16 -4.36 1.61 7.02 -1.26 -4.64 117.44 117.97 3iwi n TRP 274 Ca 0.00 0.42 -0.29 0.00 -1.02 0.00 0.00 57.50 56.61 3iwi n TRP 274 Cb 0.00 -2.33 -0.12 0.00 -2.42 0.00 0.00 31.31 26.45 3iwi n TRP 274 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3iwi s GLU 275 N -3.10 1.73 0.03 -0.99 2.02 -1.03 -0.99 118.70 116.38 3iwi s GLU 275 Ca 0.77 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 54.57 3iwi s GLU 275 Cb -0.40 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 3iwi s GLU 275 CO 0.45 0.48 -0.05 -1.64 0.02 0.00 0.00 175.26 174.52 3iwi s MET 276 N -2.06 0.42 0.04 1.61 -1.94 -0.13 -1.25 119.30 115.99 3iwi s MET 276 Ca 0.17 -0.70 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3iwi s MET 276 Cb -0.10 -0.07 -0.03 0.00 2.01 0.00 0.00 34.83 36.64 3iwi s MET 276 CO 0.09 -0.01 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.53 3iwi s LEU 277 N -1.57 2.32 0.35 -0.03 1.02 -0.24 -0.25 118.68 120.28 3iwi s LEU 277 Ca -0.12 -0.66 -0.29 0.00 0.02 0.00 0.00 54.13 53.08 3iwi s LEU 277 Cb -0.09 0.02 -0.11 0.00 0.02 0.00 0.00 46.19 46.03 3iwi s LEU 277 CO -0.01 -0.34 1.44 -1.81 0.02 0.00 0.00 176.35 175.65 3iwi s ASP 278 N -1.93 6.49 -0.12 2.29 1.01 -1.26 -0.52 116.67 122.64 3iwi s ASP 278 Ca -0.07 2.91 -0.11 0.00 0.71 0.00 0.00 52.55 55.99 3iwi s ASP 278 Cb -0.05 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 3iwi s ASP 278 CO -0.03 -0.77 0.23 0.86 0.21 0.00 0.00 175.17 175.68 3iwi s TRP 279 N -0.95 3.57 0.49 4.23 -0.11 0.05 -3.46 118.94 122.76 3iwi s TRP 279 Ca 0.53 0.61 -0.21 0.00 1.22 0.00 0.00 56.10 58.25 3iwi s TRP 279 Cb -0.44 -2.14 -0.07 0.00 -1.50 0.00 0.00 33.47 29.31 3iwi s TRP 279 CO 0.57 0.54 1.09 -1.25 -4.62 0.00 0.00 176.95 173.28 3iwi s PRO 280 N -0.49 3.67 0.32 5.86 0.04 -1.26 -4.77 135.00 138.37 3iwi s PRO 280 Ca 0.16 1.54 0.05 0.00 0.04 0.00 0.00 61.00 62.79 3iwi s PRO 280 Cb -0.13 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3iwi s PRO 280 CO 0.05 -0.57 0.46 0.14 0.04 0.00 0.00 177.00 177.12 3iwi s VAL 281 N -1.80 4.39 -0.36 -0.36 -7.23 -1.22 -5.07 120.40 108.75 3iwi s VAL 281 Ca 0.68 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 59.66 3iwi s VAL 281 Cb -0.22 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.20 3iwi s VAL 281 CO 0.26 -0.23 0.90 0.21 -0.31 0.00 0.00 175.10 175.93 3iwi s ASN 282 N -4.13 6.67 0.30 4.85 2.47 -1.26 -4.96 114.94 118.88 3iwi s ASN 282 Ca 0.42 0.56 0.02 0.00 0.42 0.00 0.00 52.86 54.29 3iwi s ASN 282 Cb -0.09 -2.45 0.58 0.00 -1.45 0.00 0.00 41.25 37.83 3iwi s ASN 282 CO 0.31 -0.83 1.87 1.55 -3.72 0.00 0.00 177.10 176.28 3iwi h PRO 283 N 8.45 0.94 -0.67 0.43 0.13 -2.00 -0.46 132.00 138.81 3iwi h PRO 283 Ca -0.23 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.91 3iwi h PRO 283 Cb 1.08 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 3iwi h PRO 283 CO 0.97 0.63 0.44 -0.44 -0.23 0.00 0.00 178.00 179.37 3iwi h ASP 284 N 0.97 0.55 -0.12 1.44 3.32 -1.98 -0.28 116.42 120.32 3iwi h ASP 284 Ca 0.46 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 3iwi h ASP 284 Cb 0.42 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3iwi h ASP 284 CO -0.22 0.35 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.35 3iwi h SER 285 N 0.63 0.23 0.23 6.45 0.87 -1.50 -0.11 113.55 120.35 3iwi h SER 285 Ca 0.30 -0.37 -0.17 0.00 -1.23 0.00 0.00 61.79 60.32 3iwi h SER 285 Cb 0.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3iwi h SER 285 CO -0.10 0.54 -0.67 0.16 -0.53 0.00 0.00 176.83 176.24 3iwi h ILE 286 N -0.09 1.37 0.76 2.23 3.07 -1.35 0.88 117.51 124.38 3iwi h ILE 286 Ca 0.03 -2.03 -0.04 0.00 1.55 0.00 0.00 64.86 64.37 3iwi h ILE 286 Cb 0.44 2.02 0.01 0.00 -0.27 0.00 0.00 36.82 39.02 3iwi h ILE 286 CO 0.01 0.61 -0.36 0.40 -1.05 0.00 0.00 178.15 177.76 3iwi h ILE 287 N 0.29 0.05 -0.69 0.16 2.04 -1.04 -2.34 117.51 115.98 3iwi h ILE 287 Ca -0.02 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3iwi h ILE 287 Cb 1.22 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3iwi h ILE 287 CO 0.11 0.01 0.30 0.78 0.00 0.00 0.00 178.15 179.35 3iwi h ASN 288 N -1.25 0.90 0.38 1.72 2.35 -1.11 -2.53 115.58 116.05 3iwi h ASN 288 Ca -0.10 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3iwi h ASN 288 Cb 0.79 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3iwi h ASN 288 CO 0.17 0.78 -0.00 1.23 -1.65 0.00 0.00 177.43 177.96 3iwi h GLY 289 N 1.05 0.00 1.73 2.83 0.00 -0.83 -2.43 103.07 105.41 3iwi h GLY 289 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3iwi h GLY 289 CO -0.03 0.00 -0.21 1.48 0.00 0.00 0.00 176.54 177.79 3iwi h SER 290 N 0.00 0.00 -3.59 0.19 4.64 -0.95 -3.31 113.55 110.53 3iwi h SER 290 Ca -0.00 -0.07 -0.53 0.00 -0.47 0.00 0.00 61.79 60.72 3iwi h SER 290 Cb 0.19 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.35 3iwi h SER 290 CO 0.00 0.03 0.76 -0.62 -0.87 0.00 0.00 176.83 176.13 3iwi s ASP 291 N -4.50 6.57 0.63 4.97 2.15 -0.92 -4.66 116.67 120.92 3iwi s ASP 291 Ca 0.09 2.79 0.34 0.00 0.43 0.00 0.00 52.55 56.21 3iwi s ASP 291 Cb 0.12 -2.64 1.94 0.00 -0.30 0.00 0.00 42.92 42.04 3iwi s ASP 291 CO 0.64 -0.73 2.18 0.78 -0.17 0.00 0.00 175.17 177.87 3iwi h ASN 292 N 4.25 0.00 0.06 -0.34 2.35 -1.89 0.20 115.58 120.20 3iwi h ASN 292 Ca -0.48 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.25 3iwi h ASN 292 Cb 1.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 3iwi h ASN 292 CO 0.73 0.00 -0.07 0.07 -1.65 0.00 0.00 177.43 176.51 3iwi h LYS 293 N 0.00 0.04 0.01 0.81 2.10 -1.93 -1.26 116.57 116.34 3iwi h LYS 293 Ca 0.03 -0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.28 3iwi h LYS 293 Cb 0.29 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.55 3iwi h LYS 293 CO -0.00 0.11 -2.23 -0.89 -2.00 0.00 0.00 179.45 174.44 3iwi n ILE 294 N -4.43 1.54 0.28 0.07 5.41 -0.24 -4.20 119.36 117.79 3iwi n ILE 294 Ca -0.02 -0.36 0.12 0.00 1.00 0.00 0.00 62.75 63.49 3iwi n ILE 294 Cb 0.16 -1.83 0.80 0.00 -0.71 0.00 0.00 39.64 38.07 3iwi n ILE 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iwi h ALA 295 N -0.65 1.68 -0.01 -1.39 0.00 -1.02 -1.90 119.26 115.97 3iwi h ALA 295 Ca -0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3iwi h ALA 295 Cb 1.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3iwi h ALA 295 CO -0.29 0.02 -0.35 1.28 0.00 0.00 0.00 179.25 179.91 3iwi n LEU 296 N -4.09 1.84 -4.84 0.00 4.77 -0.48 -4.54 117.00 109.66 3iwi n LEU 296 Ca -0.03 -0.64 -0.33 0.00 -0.03 0.00 0.00 56.01 54.98 3iwi n LEU 296 Cb 0.10 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3iwi n LEU 296 CO 0.30 0.34 0.39 0.00 -1.33 0.00 0.00 177.39 177.08 3iwi s ALA 297 N -2.41 3.38 0.28 -1.18 0.00 -0.72 -4.69 121.76 116.42 3iwi s ALA 297 Ca 0.22 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 3iwi s ALA 297 Cb 0.19 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.47 3iwi s ALA 297 CO 0.52 0.36 1.37 0.00 0.00 0.00 0.00 175.76 178.01 3iwi s ALA 298 N -1.82 3.56 0.00 0.00 0.00 -1.26 -4.67 121.76 117.57 3iwi s ALA 298 Ca 0.50 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.75 3iwi s ALA 298 Cb -0.12 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 3iwi s ALA 298 CO 0.19 -0.68 -0.05 1.03 0.00 0.00 0.00 175.76 176.25 3iwi s ARG 299 N -0.93 0.36 0.30 0.00 0.52 -0.52 -4.97 118.95 113.69 3iwi s ARG 299 Ca 0.55 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 55.22 3iwi s ARG 299 Cb -0.40 -0.30 -0.10 0.00 0.52 0.00 0.00 34.95 34.67 3iwi s ARG 299 CO 0.47 0.08 1.24 -1.25 0.02 0.00 0.00 175.30 175.86 3iwi s PRO 300 N -0.36 4.45 0.00 3.54 0.04 -1.26 -0.27 135.00 141.15 3iwi s PRO 300 Ca -0.01 2.07 0.03 0.00 0.04 0.00 0.00 61.00 63.13 3iwi s PRO 300 Cb -0.03 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3iwi s PRO 300 CO -0.00 -0.07 -0.07 0.14 0.04 0.00 0.00 177.00 177.05 3iwi s VAL 301 N -1.01 3.66 -0.24 -0.36 -7.23 -0.95 -4.57 120.40 109.69 3iwi s VAL 301 Ca 0.48 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.79 3iwi s VAL 301 Cb -0.37 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.94 3iwi s VAL 301 CO 0.48 0.40 0.14 -0.54 -0.31 0.00 0.00 175.10 175.26 3iwi s LYS 302 N -1.41 3.97 0.32 4.82 1.02 -0.10 -4.84 119.74 123.52 3iwi s LYS 302 Ca 0.17 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.55 3iwi s LYS 302 Cb -0.11 -3.48 -0.10 0.00 -0.52 0.00 0.00 37.83 33.62 3iwi s LYS 302 CO 0.07 0.01 1.40 0.00 -0.92 0.00 0.00 175.35 175.92 3iwi s ALA 303 N 1.16 3.56 -0.45 5.17 0.00 -1.26 -0.98 121.76 128.97 3iwi s ALA 303 Ca 0.06 1.37 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 3iwi s ALA 303 Cb -0.14 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.51 3iwi s ALA 303 CO 0.05 -0.79 0.33 0.42 0.00 0.00 0.00 175.76 175.77 3iwi s ILE 304 N -0.77 4.78 -0.37 0.00 1.01 -0.91 -4.89 121.20 120.07 3iwi s ILE 304 Ca 0.53 -1.20 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3iwi s ILE 304 Cb -0.42 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.27 3iwi s ILE 304 CO 0.53 -0.53 0.09 -0.89 0.00 0.00 0.00 174.94 174.13 3iwi s THR 305 N 1.55 2.46 0.73 2.92 2.01 -1.26 -1.88 115.64 122.15 3iwi s THR 305 Ca 0.04 -2.39 -0.07 0.00 0.31 0.00 0.00 61.69 59.57 3iwi s THR 305 Cb -0.24 -2.78 0.07 0.00 0.01 0.00 0.00 72.50 69.56 3iwi s THR 305 CO 0.05 -0.63 1.05 -2.16 -0.69 0.00 0.00 174.62 172.23 3iwi s PRO 306 N 0.83 2.11 0.40 4.92 0.04 -1.26 -5.10 135.00 136.94 3iwi s PRO 306 Ca 0.11 -0.22 -0.27 0.00 0.04 0.00 0.00 61.00 60.66 3iwi s PRO 306 Cb -0.20 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 3iwi s PRO 306 CO -0.07 -1.32 1.48 -2.30 0.04 0.00 0.00 177.00 174.83 3iwi n PRO 307 N -3.00 2.58 -2.49 0.56 -0.02 -0.79 -4.95 135.00 126.89 3iwi n PRO 307 Ca 0.08 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 3iwi n PRO 307 Cb 0.61 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 3iwi n PRO 307 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iwi s THR 308 N -1.14 4.22 0.78 3.45 2.01 -0.98 -4.81 115.64 119.16 3iwi s THR 308 Ca 0.55 1.60 -0.13 0.00 0.31 0.00 0.00 61.69 64.02 3iwi s THR 308 Cb -0.47 -4.03 0.07 0.00 0.01 0.00 0.00 72.50 68.08 3iwi s THR 308 CO 0.62 0.13 1.17 -2.84 -0.69 0.00 0.00 174.62 173.01 3iwi s PRO 309 N 0.99 1.91 -0.42 4.92 0.02 -1.26 -0.65 135.00 140.51 3iwi s PRO 309 Ca 0.57 1.60 -0.45 0.00 0.02 0.00 0.00 61.00 62.74 3iwi s PRO 309 Cb -0.28 -1.82 -0.19 0.00 0.02 0.00 0.00 34.50 32.23 3iwi s PRO 309 CO 0.29 -1.98 1.57 0.00 -0.33 0.00 0.00 177.00 176.55 3iwi n ALA 310 N -3.19 -1.41 -2.65 -1.55 0.00 -1.25 -4.74 120.51 105.71 3iwi n ALA 310 Ca 0.12 0.49 -0.40 0.00 0.00 0.00 0.00 53.44 53.66 3iwi n ALA 310 Cb 0.51 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 3iwi n ALA 310 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iwi s VAL 311 N 2.76 5.05 0.20 0.00 1.01 -1.26 -4.97 120.40 123.19 3iwi s VAL 311 Ca 1.03 1.07 -0.10 0.00 0.00 0.00 0.00 61.98 63.97 3iwi s VAL 311 Cb -1.41 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 31.21 3iwi s VAL 311 CO 0.77 0.13 1.80 0.03 0.00 0.00 0.00 175.10 177.82 3iwi h ARG 312 N 7.56 1.04 -3.33 2.72 2.47 -1.98 -3.25 114.38 119.62 3iwi h ARG 312 Ca -0.32 -0.15 -0.71 0.00 -1.26 0.00 0.00 59.98 57.54 3iwi h ARG 312 Cb 1.15 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 29.21 3iwi h ARG 312 CO 0.76 0.81 2.99 0.00 0.56 0.00 0.00 179.97 185.08 3iwi n ALA 313 N -2.37 6.37 -2.66 0.04 0.00 -1.26 -1.20 120.51 119.42 3iwi n ALA 313 Ca 0.06 -3.91 -0.20 0.00 0.00 0.00 0.00 53.44 49.40 3iwi n ALA 313 Cb 0.12 -3.23 -0.12 0.00 0.00 0.00 0.00 19.45 16.22 3iwi n ALA 313 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iwi s SER 314 N 1.85 1.82 -0.40 0.00 0.01 -1.23 -0.77 113.70 114.97 3iwi s SER 314 Ca 0.54 -0.58 -0.22 0.00 1.31 0.00 0.00 55.95 57.00 3iwi s SER 314 Cb 0.15 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.32 3iwi s SER 314 CO -0.06 -0.02 0.70 0.86 0.41 0.00 0.00 173.24 175.12 3iwi s TRP 315 N -1.14 3.08 -0.14 2.43 -0.11 0.33 -4.00 118.94 119.39 3iwi s TRP 315 Ca 0.00 0.23 -0.02 0.00 1.22 0.00 0.00 56.10 57.53 3iwi s TRP 315 Cb -0.09 -3.37 -0.02 0.00 -1.50 0.00 0.00 33.47 28.49 3iwi s TRP 315 CO 0.02 -0.80 -0.06 0.08 -4.62 0.00 0.00 176.95 171.58 3iwi s VAL 316 N 2.95 3.69 0.22 5.86 1.01 -0.14 -1.08 120.40 132.91 3iwi s VAL 316 Ca 0.26 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 3iwi s VAL 316 Cb -0.14 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.69 3iwi s VAL 316 CO 0.18 0.51 0.61 -1.38 0.00 0.00 0.00 175.10 175.02 3iwi s HIS 317 N 0.23 -0.25 -0.26 5.22 -0.00 -0.38 -0.76 115.29 119.09 3iwi s HIS 317 Ca -0.04 -0.10 -0.16 0.00 -0.00 0.00 0.00 55.06 54.76 3iwi s HIS 317 Cb -0.14 0.54 0.08 0.00 -0.00 0.00 0.00 32.58 33.05 3iwi s HIS 317 CO 0.03 -1.01 0.65 0.21 -0.00 0.00 0.00 174.74 174.62 3iwi s LYS 318 N -3.86 0.67 0.39 -0.38 2.47 -0.51 -2.45 119.74 116.07 3iwi s LYS 318 Ca 0.08 1.14 -0.06 0.00 -1.56 0.00 0.00 55.97 55.57 3iwi s LYS 318 Cb -0.03 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.43 3iwi s LYS 318 CO -0.02 -0.15 0.69 0.95 0.16 0.00 0.00 175.35 176.99 3iwi s THR 319 N 1.50 4.92 -0.05 3.43 -4.23 -1.26 -1.95 115.64 117.99 3iwi s THR 319 Ca -0.09 0.23 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 3iwi s THR 319 Cb -0.05 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.05 3iwi s THR 319 CO -0.17 -0.57 0.50 -0.83 -0.54 0.00 0.00 174.62 173.01 3iwi s GLY 320 N -3.52 -0.37 0.05 3.99 0.00 -0.56 -3.40 107.32 103.50 3iwi s GLY 320 Ca 0.47 0.91 -0.17 0.00 0.00 0.00 0.00 44.72 45.93 3iwi s GLY 320 CO 0.35 0.63 0.39 0.00 0.00 0.00 0.00 173.10 174.47 3iwi s ALA 321 N -1.09 -0.94 0.08 3.20 0.00 -1.26 -0.23 121.76 121.53 3iwi s ALA 321 Ca -0.11 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3iwi s ALA 321 Cb -0.03 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 3iwi s ALA 321 CO 0.06 -0.47 0.03 0.25 0.00 0.00 0.00 175.76 175.64 3iwi n THR 322 N 0.43 0.00 -0.32 0.00 -2.24 -0.59 -4.20 114.28 107.36 3iwi n THR 322 Ca -0.18 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.17 3iwi n THR 322 Cb 0.60 0.18 0.27 0.00 -2.10 0.00 0.00 70.33 69.29 3iwi n THR 322 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3iwi h GLY 323 N 0.34 1.43 -0.70 3.38 0.00 -1.97 -3.08 103.07 102.48 3iwi h GLY 323 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3iwi h GLY 323 CO 0.10 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.45 3iwi n GLY 324 N -1.38 2.46 3.05 4.60 0.00 -1.26 -4.49 105.19 108.17 3iwi n GLY 324 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3iwi n GLY 324 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwi s PHE 325 N -0.95 0.54 -0.03 1.61 0.40 -1.16 -1.99 117.98 116.40 3iwi s PHE 325 Ca 0.12 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 3iwi s PHE 325 Cb 0.07 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.28 3iwi s PHE 325 CO 0.09 -0.18 0.04 0.20 0.70 0.00 0.00 175.22 176.07 3iwi s GLY 326 N -1.97 0.13 0.14 4.36 0.00 -0.50 -1.54 107.32 107.94 3iwi s GLY 326 Ca -0.06 0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.99 3iwi s GLY 326 CO -0.03 0.90 -0.11 -0.56 0.00 0.00 0.00 173.10 173.30 3iwi s SER 327 N 1.40 1.86 -0.18 1.64 0.01 0.68 -1.46 113.70 117.66 3iwi s SER 327 Ca -0.05 -0.95 -0.22 0.00 1.31 0.00 0.00 55.95 56.04 3iwi s SER 327 Cb -0.13 -0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.13 3iwi s SER 327 CO -0.03 -0.27 0.58 -0.47 0.41 0.00 0.00 173.24 173.46 3iwi s TYR 328 N -2.98 -0.61 -0.02 2.43 5.04 -0.56 -1.50 117.35 119.15 3iwi s TYR 328 Ca 0.14 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 3iwi s TYR 328 Cb 0.00 0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.57 3iwi s TYR 328 CO 0.02 -0.37 -0.03 0.08 -1.34 0.00 0.00 175.55 173.91 3iwi s VAL 329 N -0.07 0.33 -0.04 3.14 1.01 -0.82 -0.73 120.40 123.21 3iwi s VAL 329 Ca -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 3iwi s VAL 329 Cb -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3iwi s VAL 329 CO 0.03 0.14 0.19 0.00 0.00 0.00 0.00 175.10 175.46 3iwi s ALA 330 N 0.44 -0.48 0.11 5.51 0.00 -0.67 -1.42 121.76 125.27 3iwi s ALA 330 Ca -0.05 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 3iwi s ALA 330 Cb -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3iwi s ALA 330 CO -0.01 -0.15 0.40 -0.59 0.00 0.00 0.00 175.76 175.41 3iwi s PHE 331 N -0.57 -0.20 -0.31 0.00 -0.71 0.06 -0.35 117.98 115.90 3iwi s PHE 331 Ca -0.07 -0.08 0.01 0.00 -1.04 0.00 0.00 56.93 55.75 3iwi s PHE 331 Cb -0.04 0.25 0.10 0.00 -1.21 0.00 0.00 43.02 42.11 3iwi s PHE 331 CO 0.01 -0.68 0.07 0.42 -1.34 0.00 0.00 175.22 173.70 3iwi s ILE 332 N -3.64 1.37 0.23 -4.49 1.01 0.12 -0.96 121.20 114.84 3iwi s ILE 332 Ca 0.02 -1.67 -0.06 0.00 0.00 0.00 0.00 60.65 58.94 3iwi s ILE 332 Cb 0.02 -1.99 0.19 0.00 0.01 0.00 0.00 42.46 40.68 3iwi s ILE 332 CO -0.11 -0.60 1.77 -0.65 0.00 0.00 0.00 174.94 175.35 3iwi h PRO 333 N 7.93 0.57 -0.30 2.79 0.11 -1.68 -1.81 132.00 139.60 3iwi h PRO 333 Ca -0.11 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.05 3iwi h PRO 333 Cb 1.02 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3iwi h PRO 333 CO 0.48 0.38 0.22 1.49 -0.21 0.00 0.00 178.00 180.35 3iwi h GLU 334 N 0.59 0.03 -0.02 1.05 4.57 -1.48 -1.83 114.58 117.49 3iwi h GLU 334 Ca 0.37 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 3iwi h GLU 334 Cb 0.42 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3iwi h GLU 334 CO -0.29 0.02 -0.18 1.63 -1.18 0.00 0.00 179.01 179.02 3iwi n LYS 335 N -4.45 1.85 -3.84 1.92 4.76 -0.72 -4.97 118.16 112.71 3iwi n LYS 335 Ca 0.04 -1.50 -0.27 0.00 -2.87 0.00 0.00 58.31 53.71 3iwi n LYS 335 Cb 0.36 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3iwi n LYS 335 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3iwi n GLU 336 N 0.73 -5.45 -4.51 1.97 -0.58 -0.69 -4.50 120.64 107.62 3iwi n GLU 336 Ca 0.13 0.61 -0.21 0.00 -0.42 0.00 0.00 57.16 57.27 3iwi n GLU 336 Cb 0.53 -5.41 -0.15 0.00 -0.57 0.00 0.00 31.44 25.84 3iwi n GLU 336 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3iwi s LEU 337 N -7.11 1.93 0.19 -4.62 2.96 -1.19 -1.87 118.68 108.97 3iwi s LEU 337 Ca 0.46 -0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 53.92 3iwi s LEU 337 Cb -0.23 -0.63 0.05 0.00 0.50 0.00 0.00 46.19 45.88 3iwi s LEU 337 CO 0.82 0.12 0.79 -0.83 -1.32 0.00 0.00 176.35 175.93 3iwi s GLY 338 N -0.08 -0.26 -0.04 7.98 0.00 -0.05 -0.70 107.32 114.17 3iwi s GLY 338 Ca 0.01 0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.74 3iwi s GLY 338 CO 0.00 0.03 0.21 -1.50 0.00 0.00 0.00 173.10 171.83 3iwi s ILE 339 N -3.62 0.04 -0.06 0.90 2.07 0.53 -0.52 121.20 120.53 3iwi s ILE 339 Ca 0.09 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 59.05 3iwi s ILE 339 Cb -0.03 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.16 3iwi s ILE 339 CO 0.00 -0.17 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.02 3iwi s VAL 340 N -0.61 1.33 -0.20 4.00 1.01 -0.37 -1.66 120.40 123.89 3iwi s VAL 340 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3iwi s VAL 340 Cb -0.04 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.21 3iwi s VAL 340 CO 0.01 0.39 -0.07 -0.04 0.00 0.00 0.00 175.10 175.40 3iwi s MET 341 N 0.40 1.70 -0.16 2.72 -1.94 0.09 -1.39 119.30 120.73 3iwi s MET 341 Ca -0.11 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 3iwi s MET 341 Cb -0.14 -2.34 -0.00 0.00 2.01 0.00 0.00 34.83 34.35 3iwi s MET 341 CO 0.04 -0.48 -0.15 -0.51 -0.01 0.00 0.00 175.02 173.91 3iwi s LEU 342 N 1.48 2.50 0.02 -0.03 1.43 0.10 -1.50 118.68 122.68 3iwi s LEU 342 Ca -0.02 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3iwi s LEU 342 Cb -0.17 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3iwi s LEU 342 CO -0.07 0.09 -0.08 0.00 0.23 0.00 0.00 176.35 176.51 3iwi s ALA 343 N 0.81 0.60 -0.61 4.21 0.00 -0.53 -0.84 121.76 125.41 3iwi s ALA 343 Ca -0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3iwi s ALA 343 Cb -0.15 -0.05 0.37 0.00 0.00 0.00 0.00 23.12 23.29 3iwi s ALA 343 CO -0.00 0.06 2.07 0.27 0.00 0.00 0.00 175.76 178.16 3iwi n ASN 344 N 2.09 7.38 -3.80 0.00 6.94 -0.96 -1.41 115.26 125.49 3iwi n ASN 344 Ca -0.18 -3.62 -0.13 0.00 -0.02 0.00 0.00 54.58 50.64 3iwi n ASN 344 Cb 0.56 -1.02 -0.12 0.00 -2.36 0.00 0.00 39.78 36.84 3iwi n ASN 344 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3iwi s LYS 345 N -3.33 0.21 -0.31 -3.83 2.20 -0.84 -1.52 119.74 112.32 3iwi s LYS 345 Ca 0.56 0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 3iwi s LYS 345 Cb 0.44 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.86 3iwi s LYS 345 CO -0.07 -0.03 1.05 1.21 -0.36 0.00 0.00 175.35 177.15 3iwi s ASN 346 N 0.17 6.94 0.14 1.43 2.47 -1.25 -2.07 114.94 122.77 3iwi s ASN 346 Ca -0.01 1.07 0.04 0.00 0.42 0.00 0.00 52.86 54.38 3iwi s ASN 346 Cb -0.02 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 3iwi s ASN 346 CO -0.00 -0.83 -0.10 -0.72 -3.72 0.00 0.00 177.10 171.72 3iwi s TYR 347 N 3.54 1.22 0.33 0.43 -0.85 -1.26 -4.95 117.35 115.82 3iwi s TYR 347 Ca 0.44 -0.75 -0.29 0.00 -0.52 0.00 0.00 57.07 55.95 3iwi s TYR 347 Cb -0.13 -0.63 -0.11 0.00 0.38 0.00 0.00 41.96 41.47 3iwi s TYR 347 CO 0.14 0.06 1.54 -2.14 -1.52 0.00 0.00 175.55 173.62 3iwi s PRO 348 N -3.62 4.12 0.26 -3.49 0.02 -1.26 -4.90 135.00 126.12 3iwi s PRO 348 Ca 0.15 2.57 -0.05 0.00 0.02 0.00 0.00 61.00 63.69 3iwi s PRO 348 Cb 0.02 -3.00 0.50 0.00 0.02 0.00 0.00 34.50 32.04 3iwi s PRO 348 CO 0.00 -0.58 1.63 -0.91 -0.33 0.00 0.00 177.00 176.81 3iwi h ASN 349 N 3.90 -0.34 0.19 2.53 2.35 -1.98 -1.93 115.58 120.31 3iwi h ASN 349 Ca -0.49 0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 3iwi h ASN 349 Cb 1.23 0.36 -0.00 0.00 0.05 0.00 0.00 38.32 39.95 3iwi h ASN 349 CO 0.72 -0.20 -0.15 -0.65 -1.65 0.00 0.00 177.43 175.49 3iwi h PRO 350 N 0.10 0.00 -0.47 0.81 0.11 -1.83 -1.02 132.00 129.71 3iwi h PRO 350 Ca 0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.48 3iwi h PRO 350 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3iwi h PRO 350 CO -0.70 0.15 -0.02 0.00 -0.21 0.00 0.00 178.00 177.23 3iwi h ALA 351 N 1.85 1.09 -0.03 -0.75 0.00 -1.71 -1.27 119.26 118.44 3iwi h ALA 351 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3iwi h ALA 351 Cb 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iwi h ALA 351 CO 0.02 0.57 -0.00 0.00 0.00 0.00 0.00 179.25 179.84 3iwi h ARG 352 N 0.72 0.05 -0.48 0.00 3.08 -1.14 -2.62 114.38 113.99 3iwi h ARG 352 Ca 0.14 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3iwi h ARG 352 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3iwi h ARG 352 CO 0.02 0.35 -0.08 0.28 -1.07 0.00 0.00 179.97 179.48 3iwi h VAL 353 N -0.26 1.27 -0.09 2.04 2.07 -1.24 -1.49 116.25 118.55 3iwi h VAL 353 Ca 0.01 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.36 3iwi h VAL 353 Cb 0.33 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3iwi h VAL 353 CO 0.00 0.41 -0.05 -0.78 0.02 0.00 0.00 177.57 177.18 3iwi h ASP 354 N 0.76 -0.16 -0.54 0.57 1.82 -1.29 0.13 116.42 117.70 3iwi h ASP 354 Ca 0.13 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.84 3iwi h ASP 354 Cb 0.62 0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.68 3iwi h ASP 354 CO 0.04 -0.07 0.32 0.00 -1.61 0.00 0.00 179.24 177.92 3iwi h ALA 355 N 1.05 0.70 -0.55 -0.78 0.00 -1.30 -1.47 119.26 116.90 3iwi h ALA 355 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3iwi h ALA 355 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iwi h ALA 355 CO -0.12 0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.41 3iwi h ALA 356 N 1.25 0.72 -0.63 0.00 0.00 -0.93 -2.22 119.26 117.45 3iwi h ALA 356 Ca 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3iwi h ALA 356 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3iwi h ALA 356 CO -0.11 0.28 0.19 2.35 0.00 0.00 0.00 179.25 181.96 3iwi h TRP 357 N 0.75 1.03 -0.77 0.00 7.01 -0.45 -1.02 115.95 122.49 3iwi h TRP 357 Ca 0.19 -0.11 0.08 0.00 2.11 0.00 0.00 58.89 61.16 3iwi h TRP 357 Cb 0.12 -0.30 -0.07 0.00 -2.10 0.00 0.00 29.16 26.82 3iwi h TRP 357 CO -0.00 0.84 0.44 1.96 -2.79 0.00 0.00 178.44 178.89 3iwi h GLN 358 N 0.91 0.75 0.12 2.65 1.08 -1.03 0.14 115.11 119.73 3iwi h GLN 358 Ca 0.20 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3iwi h GLN 358 Cb 0.30 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3iwi h GLN 358 CO -0.01 0.49 -0.06 0.82 -0.95 0.00 0.00 178.83 179.13 3iwi h ILE 359 N 0.77 1.06 -0.39 2.54 2.04 -1.13 -2.73 117.51 119.67 3iwi h ILE 359 Ca 0.36 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 3iwi h ILE 359 Cb 0.28 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3iwi h ILE 359 CO -0.22 0.26 -0.12 -0.07 0.00 0.00 0.00 178.15 178.01 3iwi h LEU 360 N -0.77 0.69 -1.34 1.44 3.38 -1.11 -2.47 115.31 115.13 3iwi h LEU 360 Ca -0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 3iwi h LEU 360 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3iwi h LEU 360 CO 0.03 0.83 -0.30 -1.13 0.09 0.00 0.00 178.44 177.96 3iwi h ASN 361 N 0.63 0.05 0.67 -0.43 -1.24 -0.81 -1.31 115.58 113.15 3iwi h ASN 361 Ca 0.11 -0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 3iwi h ASN 361 Cb 0.57 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 3iwi h ASN 361 CO 0.04 0.35 -0.52 0.00 -1.29 0.00 0.00 177.43 176.01 3iwi h ALA 362 N 1.66 1.02 0.00 1.57 0.00 -1.12 -3.30 119.26 119.08 3iwi h ALA 362 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3iwi h ALA 362 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3iwi h ALA 362 CO 0.04 0.65 -1.38 1.28 0.00 0.00 0.00 179.25 179.84 3iwi n LEU 363 N -3.74 0.57 0.00 0.00 4.77 -0.90 -5.11 117.00 112.60 3iwi n LEU 363 Ca -0.01 -0.25 0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3iwi n LEU 363 Cb 0.56 -0.01 0.80 0.00 -2.33 0.00 0.00 43.42 42.44 3iwi n LEU 363 CO 0.40 0.13 0.97 0.00 -1.33 0.00 0.00 177.39 177.56