#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 0.68 -0.12 0.00 -0.02 -1.26 -4.70 135.00 129.59 3iwi n PRO 5 Ca 0.00 0.24 0.20 0.00 -2.02 0.00 0.00 63.50 61.92 3iwi n PRO 5 Cb 0.00 -1.56 0.62 0.00 -0.02 0.00 0.00 33.50 32.54 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 2.29 0.18 -0.15 -0.52 4.15 -2.05 -1.16 115.11 117.85 3iwi h GLN 6 Ca -0.39 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 3iwi h GLN 6 Cb 1.38 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 3iwi h GLN 6 CO 0.63 0.12 0.05 0.37 -1.93 0.00 0.00 178.83 178.07 3iwi h GLN 7 N 0.18 0.22 -0.16 1.69 4.15 -1.99 0.40 115.11 119.61 3iwi h GLN 7 Ca 0.35 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3iwi h GLN 7 Cb 1.11 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 3iwi h GLN 7 CO -0.06 0.33 0.07 0.82 -1.93 0.00 0.00 178.83 178.06 3iwi h ILE 8 N 0.07 1.13 -0.42 2.39 2.04 -1.65 -1.70 117.51 119.36 3iwi h ILE 8 Ca 0.05 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3iwi h ILE 8 Cb 0.20 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 3iwi h ILE 8 CO -0.00 0.12 -0.12 0.78 0.00 0.00 0.00 178.15 178.93 3iwi h ASN 9 N 0.12 -0.42 -0.28 1.72 2.35 -1.03 -1.46 115.58 116.58 3iwi h ASN 9 Ca 0.05 0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3iwi h ASN 9 Cb 0.13 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3iwi h ASN 9 CO -0.01 -0.15 -0.19 0.44 -1.65 0.00 0.00 177.43 175.87 3iwi h ASP 10 N -0.01 0.66 -0.71 5.81 3.32 -0.05 -0.53 116.42 124.90 3iwi h ASP 10 Ca 0.20 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3iwi h ASP 10 Cb 0.32 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3iwi h ASP 10 CO -0.44 0.95 0.22 -0.29 -1.72 0.00 0.00 179.24 177.96 3iwi h ILE 11 N 0.37 1.26 0.19 0.35 6.09 -1.18 -1.00 117.51 123.58 3iwi h ILE 11 Ca 0.06 -0.89 -0.01 0.00 -1.37 0.00 0.00 64.86 62.64 3iwi h ILE 11 Cb 0.73 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.52 3iwi h ILE 11 CO 0.05 0.35 -0.09 0.58 -3.07 0.00 0.00 178.15 175.97 3iwi h VAL 12 N 1.04 0.87 -0.57 2.19 2.07 -1.15 -1.99 116.25 118.72 3iwi h VAL 12 Ca 0.23 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3iwi h VAL 12 Cb 0.30 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3iwi h VAL 12 CO -0.01 0.07 0.20 0.45 0.02 0.00 0.00 177.57 178.30 3iwi h HIS 13 N -0.41 0.90 0.00 1.57 3.86 -1.05 0.97 115.15 120.99 3iwi h HIS 13 Ca -0.03 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 3iwi h HIS 13 Cb 0.31 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 3iwi h HIS 13 CO -0.02 0.74 -0.07 0.00 0.86 0.00 0.00 177.93 179.44 3iwi h ARG 14 N 0.79 0.00 0.03 2.45 3.08 -1.15 -1.98 114.38 117.59 3iwi h ARG 14 Ca 0.19 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.90 3iwi h ARG 14 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3iwi h ARG 14 CO -0.01 0.07 -1.86 2.41 -1.07 0.00 0.00 179.97 179.51 3iwi n THR 15 N -3.40 1.59 0.07 2.04 -1.04 -0.75 -4.51 114.28 108.27 3iwi n THR 15 Ca -0.01 -0.32 -0.19 0.00 -2.04 0.00 0.00 64.05 61.49 3iwi n THR 15 Cb 0.22 -1.86 -0.10 0.00 -1.82 0.00 0.00 70.33 66.77 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 -0.63 1.32 -0.14 12.58 1.08 -0.79 -3.11 117.51 127.81 3iwi h ILE 16 Ca -0.47 -2.40 0.04 0.00 -0.39 0.00 0.00 64.86 61.64 3iwi h ILE 16 Cb 1.62 2.51 -0.05 0.00 -3.07 0.00 0.00 36.82 37.83 3iwi h ILE 16 CO -0.18 0.73 -0.17 0.74 -0.69 0.00 0.00 178.15 178.58 3iwi h THR 17 N 0.30 0.55 -0.51 -0.27 2.02 -1.56 -0.55 112.91 112.88 3iwi h THR 17 Ca -0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3iwi h THR 17 Cb 1.75 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3iwi h THR 17 CO 0.20 0.00 0.07 -0.65 0.37 0.00 0.00 175.52 175.52 3iwi h PRO 18 N -0.21 0.82 -0.37 6.66 0.11 -1.79 -2.24 132.00 134.97 3iwi h PRO 18 Ca 0.10 -0.19 0.05 0.00 0.11 0.00 0.00 66.00 66.07 3iwi h PRO 18 Cb 0.36 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3iwi h PRO 18 CO -0.27 0.77 0.10 1.25 -0.21 0.00 0.00 178.00 179.65 3iwi h LEU 19 N 0.78 0.07 -0.70 2.35 5.85 -1.34 0.73 115.31 123.05 3iwi h LEU 19 Ca 0.16 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3iwi h LEU 19 Cb 0.36 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3iwi h LEU 19 CO 0.01 0.08 0.32 0.40 -0.34 0.00 0.00 178.44 178.90 3iwi h ILE 20 N 0.24 1.24 0.34 4.05 2.04 -0.90 -0.24 117.51 124.28 3iwi h ILE 20 Ca 0.17 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3iwi h ILE 20 Cb 0.18 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3iwi h ILE 20 CO -0.20 0.28 -0.17 -0.33 0.00 0.00 0.00 178.15 177.74 3iwi h GLU 21 N 0.99 -0.45 -0.62 2.37 5.08 -1.14 -0.82 114.58 119.98 3iwi h GLU 21 Ca 0.24 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3iwi h GLU 21 Cb 0.15 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3iwi h GLU 21 CO -0.03 -0.28 0.06 1.96 -1.00 0.00 0.00 179.01 179.72 3iwi h GLN 22 N -0.49 1.04 -0.02 2.33 4.20 -0.67 -3.06 115.11 118.45 3iwi h GLN 22 Ca -0.05 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.37 3iwi h GLN 22 Cb 0.37 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3iwi h GLN 22 CO 0.08 0.98 -0.17 1.04 -0.67 0.00 0.00 178.83 180.09 3iwi n GLN 23 N -4.20 1.56 -3.79 1.46 1.13 -0.12 -4.96 117.38 108.45 3iwi n GLN 23 Ca 0.04 -1.13 -0.24 0.00 -1.94 0.00 0.00 57.00 53.73 3iwi n GLN 23 Cb 0.31 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.21 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 0.26 -4.86 -2.63 -1.09 4.76 -0.36 -4.93 118.16 109.31 3iwi n LYS 24 Ca 0.14 0.59 -0.43 0.00 -2.87 0.00 0.00 58.31 55.74 3iwi n LYS 24 Cb 0.45 -5.18 -0.02 0.00 -1.84 0.00 0.00 35.03 28.43 3iwi n LYS 24 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3iwi s ILE 25 N -3.61 4.64 0.24 -0.18 1.01 -0.93 -4.95 121.20 117.42 3iwi s ILE 25 Ca 0.18 1.94 -0.01 0.00 0.00 0.00 0.00 60.65 62.76 3iwi s ILE 25 Cb -0.09 -4.25 0.05 0.00 0.01 0.00 0.00 42.46 38.18 3iwi s ILE 25 CO 0.83 -0.07 1.67 -0.65 0.00 0.00 0.00 174.94 176.72 3iwi h PRO 26 N 7.35 0.66 -2.55 2.79 0.11 -1.88 -3.46 132.00 135.02 3iwi h PRO 26 Ca -0.27 -0.25 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3iwi h PRO 26 Cb 1.11 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 31.98 3iwi h PRO 26 CO 0.91 0.83 -0.09 0.20 -0.21 0.00 0.00 178.00 179.64 3iwi s GLY 27 N -3.90 -0.36 -0.13 -0.55 0.00 -1.21 -0.13 107.32 101.05 3iwi s GLY 27 Ca -0.08 1.02 -0.16 0.00 0.00 0.00 0.00 44.72 45.50 3iwi s GLY 27 CO 0.82 0.78 0.44 -0.29 0.00 0.00 0.00 173.10 174.84 3iwi s MET 28 N -0.66 0.58 -0.01 2.90 1.75 -0.63 -2.61 119.30 120.61 3iwi s MET 28 Ca -0.08 0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.86 3iwi s MET 28 Cb -0.03 0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.90 3iwi s MET 28 CO 0.04 -0.10 -0.16 0.00 -0.65 0.00 0.00 175.02 174.15 3iwi s ALA 29 N -0.14 1.32 -0.02 4.11 0.00 0.13 -1.09 121.76 126.06 3iwi s ALA 29 Ca -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3iwi s ALA 29 Cb -0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 3iwi s ALA 29 CO 0.02 0.32 -0.12 0.08 0.00 0.00 0.00 175.76 176.05 3iwi s VAL 30 N -0.33 1.00 -0.07 0.00 1.01 0.13 -0.89 120.40 121.24 3iwi s VAL 30 Ca 0.05 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3iwi s VAL 30 Cb -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3iwi s VAL 30 CO -0.00 0.29 -0.24 0.00 0.00 0.00 0.00 175.10 175.15 3iwi s ALA 31 N -0.06 2.09 -0.15 5.51 0.00 -0.52 -0.71 121.76 127.92 3iwi s ALA 31 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 3iwi s ALA 31 Cb -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3iwi s ALA 31 CO 0.00 0.36 -0.07 0.08 0.00 0.00 0.00 175.76 176.13 3iwi s VAL 32 N 0.04 3.59 -0.31 0.00 1.01 -0.13 -0.91 120.40 123.69 3iwi s VAL 32 Ca -0.09 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3iwi s VAL 32 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3iwi s VAL 32 CO 0.05 0.50 0.20 -0.63 0.00 0.00 0.00 175.10 175.22 3iwi s ILE 33 N 0.38 5.05 -0.09 2.22 1.09 0.16 -0.47 121.20 129.54 3iwi s ILE 33 Ca -0.06 -0.19 -0.00 0.00 -1.10 0.00 0.00 60.65 59.30 3iwi s ILE 33 Cb -0.15 -3.54 0.02 0.00 -1.06 0.00 0.00 42.46 37.74 3iwi s ILE 33 CO 0.04 0.09 -0.06 -0.47 -0.10 0.00 0.00 174.94 174.43 3iwi s TYR 34 N 1.70 1.23 -1.68 3.97 5.04 -0.08 -1.36 117.35 126.16 3iwi s TYR 34 Ca 0.06 -0.54 -0.18 0.00 -2.44 0.00 0.00 57.07 53.97 3iwi s TYR 34 Cb -0.17 -1.06 0.15 0.00 0.35 0.00 0.00 41.96 41.23 3iwi s TYR 34 CO 0.09 -0.41 0.83 1.04 -1.34 0.00 0.00 175.55 175.76 3iwi n GLN 35 N 4.76 -3.59 0.00 4.97 6.02 -1.12 -1.81 117.38 126.61 3iwi n GLN 35 Ca -0.14 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 3iwi n GLN 35 Cb 0.50 -5.17 0.00 0.00 1.02 0.00 0.00 30.24 26.59 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 -1.45 3.14 3.85 1.08 0.00 -1.19 -5.03 105.19 105.60 3iwi n GLY 36 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.33 3.79 0.13 1.61 1.02 -0.75 -4.99 119.74 120.22 3iwi s LYS 37 Ca 0.00 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.06 3iwi s LYS 37 Cb 0.00 -3.13 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 3iwi s LYS 37 CO 0.00 0.66 0.59 -1.25 -0.92 0.00 0.00 175.35 174.42 3iwi s PRO 38 N -1.39 4.11 -0.07 -1.68 0.04 -1.26 -0.91 135.00 133.84 3iwi s PRO 38 Ca 0.26 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.97 3iwi s PRO 38 Cb -0.15 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.37 3iwi s PRO 38 CO 0.14 0.53 -0.11 0.71 0.04 0.00 0.00 177.00 178.31 3iwi s TYR 39 N -1.34 1.43 0.04 0.56 1.51 0.38 -4.97 117.35 114.95 3iwi s TYR 39 Ca 0.35 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 3iwi s TYR 39 Cb -0.17 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 3iwi s TYR 39 CO 0.19 -0.32 -0.06 0.71 -1.11 0.00 0.00 175.55 174.97 3iwi s TYR 40 N 0.86 2.88 -0.01 2.71 2.02 -1.26 -0.95 117.35 123.61 3iwi s TYR 40 Ca -0.11 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.53 3iwi s TYR 40 Cb -0.15 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 3iwi s TYR 40 CO 0.01 0.41 0.02 -0.06 -1.57 0.00 0.00 175.55 174.36 3iwi s PHE 41 N -1.12 -0.01 0.03 2.71 0.40 0.11 -5.01 117.98 115.09 3iwi s PHE 41 Ca 0.20 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.59 3iwi s PHE 41 Cb -0.11 -0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.39 3iwi s PHE 41 CO 0.11 -0.01 -0.05 0.95 0.70 0.00 0.00 175.22 176.92 3iwi s THR 42 N 0.09 0.34 0.01 0.64 -4.23 -1.26 -0.70 115.64 110.53 3iwi s THR 42 Ca -0.01 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.63 3iwi s THR 42 Cb -0.01 -0.41 -0.01 0.00 1.34 0.00 0.00 72.50 73.41 3iwi s THR 42 CO -0.00 -0.34 0.04 0.26 -0.54 0.00 0.00 174.62 174.03 3iwi s TRP 43 N -1.17 0.14 0.00 3.99 0.51 -0.25 -5.01 118.94 117.15 3iwi s TRP 43 Ca -0.10 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.59 3iwi s TRP 43 Cb -0.08 -0.11 0.00 0.00 -0.81 0.00 0.00 33.47 32.47 3iwi s TRP 43 CO -0.00 -0.19 0.00 0.41 -0.51 0.00 0.00 176.95 176.66 3iwi n GLY 44 N 1.80 0.69 3.21 0.98 0.00 -1.26 -1.61 105.19 109.00 3iwi n GLY 44 Ca -0.22 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 2.56 0.14 1.61 1.51 0.82 -1.32 117.35 122.67 3iwi s TYR 45 Ca 0.00 -1.07 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 3iwi s TYR 45 Cb 0.00 -1.71 -0.07 0.00 -0.11 0.00 0.00 41.96 40.07 3iwi s TYR 45 CO 0.00 -0.43 1.33 0.00 -1.11 0.00 0.00 175.55 175.33 3iwi h ALA 46 N 6.76 0.42 -2.58 3.71 0.00 -0.95 -3.19 119.26 123.43 3iwi h ALA 46 Ca -0.20 -0.73 -0.37 0.00 0.00 0.00 0.00 54.91 53.60 3iwi h ALA 46 Cb 1.24 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.61 3iwi h ALA 46 CO 0.48 0.89 -0.67 0.34 0.00 0.00 0.00 179.25 180.28 3iwi s ASP 47 N -7.00 1.91 0.04 0.00 -1.08 -1.06 -0.71 116.67 108.77 3iwi s ASP 47 Ca -0.04 -0.54 -0.24 0.00 -0.52 0.00 0.00 52.55 51.20 3iwi s ASP 47 Cb 0.09 0.20 -0.17 0.00 -1.46 0.00 0.00 42.92 41.58 3iwi s ASP 47 CO 0.85 -0.36 1.52 0.40 0.52 0.00 0.00 175.17 178.09 3iwi h ILE 48 N 6.33 1.19 -0.75 4.11 2.04 -1.85 -0.35 117.51 128.23 3iwi h ILE 48 Ca -0.16 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3iwi h ILE 48 Cb 1.12 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 3iwi h ILE 48 CO 0.32 0.14 0.23 0.00 0.00 0.00 0.00 178.15 178.84 3iwi h ALA 49 N 0.77 0.98 -0.02 1.87 0.00 -1.97 -2.39 119.26 118.50 3iwi h ALA 49 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iwi h ALA 49 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iwi h ALA 49 CO 0.00 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.54 3iwi n LYS 50 N -4.25 1.60 -2.94 0.00 5.02 -1.21 -4.95 118.16 111.43 3iwi n LYS 50 Ca 0.06 -0.87 -0.21 0.00 -2.02 0.00 0.00 58.31 55.27 3iwi n LYS 50 Cb 0.23 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.06 -4.47 -3.20 1.97 5.02 -0.26 -4.97 118.16 112.31 3iwi n LYS 51 Ca 0.19 0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 56.97 3iwi n LYS 51 Cb 0.33 -5.63 -0.06 0.00 -0.02 0.00 0.00 35.03 29.65 3iwi n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iwi s GLN 52 N -5.60 4.23 0.52 1.97 -1.52 -0.49 -4.99 119.66 113.79 3iwi s GLN 52 Ca 0.27 0.52 -0.18 0.00 -1.95 0.00 0.00 55.36 54.02 3iwi s GLN 52 Cb -0.12 -3.54 -0.07 0.00 -0.22 0.00 0.00 33.01 29.06 3iwi s GLN 52 CO 0.33 -0.13 1.02 -1.25 -0.25 0.00 0.00 175.29 175.01 3iwi s PRO 53 N 1.55 3.74 0.17 2.91 0.04 -1.26 -0.47 135.00 141.67 3iwi s PRO 53 Ca 0.27 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 3iwi s PRO 53 Cb -0.16 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 3iwi s PRO 53 CO 0.10 -0.46 1.54 0.08 0.04 0.00 0.00 177.00 178.31 3iwi s VAL 54 N -2.35 2.68 0.45 -0.36 1.01 -0.44 -4.23 120.40 117.17 3iwi s VAL 54 Ca 0.63 0.49 0.03 0.00 0.00 0.00 0.00 61.98 63.13 3iwi s VAL 54 Cb -0.13 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3iwi s VAL 54 CO 0.28 0.04 0.10 0.42 0.00 0.00 0.00 175.10 175.95 3iwi s THR 55 N 1.05 0.66 -1.08 3.92 -4.23 -1.26 -4.67 115.64 110.02 3iwi s THR 55 Ca 0.69 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.34 3iwi s THR 55 Cb -0.43 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.34 3iwi s THR 55 CO 0.32 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.83 3iwi n GLN 56 N -1.06 0.04 -0.07 3.99 6.02 -1.26 -2.27 117.38 122.78 3iwi n GLN 56 Ca -0.11 0.24 0.08 0.00 -0.01 0.00 0.00 57.00 57.20 3iwi n GLN 56 Cb 0.65 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.52 3iwi n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iwi n GLN 57 N -1.46 1.62 -2.13 -1.09 1.13 -1.26 -3.85 117.38 110.34 3iwi n GLN 57 Ca 0.04 -1.66 -0.42 0.00 -1.94 0.00 0.00 57.00 53.02 3iwi n GLN 57 Cb 0.15 -1.32 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.22 3.04 -0.10 5.09 2.01 -0.96 -4.86 115.64 118.64 3iwi s THR 58 Ca 0.22 0.83 -0.20 0.00 0.31 0.00 0.00 61.69 62.85 3iwi s THR 58 Cb 0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3iwi s THR 58 CO 0.20 0.11 0.57 -0.76 -0.69 0.00 0.00 174.62 174.05 3iwi s LEU 59 N 0.15 4.29 0.09 4.42 1.43 0.98 -4.13 118.68 125.91 3iwi s LEU 59 Ca 0.60 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.74 3iwi s LEU 59 Cb -0.38 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3iwi s LEU 59 CO 0.37 -0.05 -0.15 -0.36 0.23 0.00 0.00 176.35 176.39 3iwi s PHE 60 N 0.72 2.62 0.01 0.29 0.40 -0.23 -1.84 117.98 119.95 3iwi s PHE 60 Ca 0.31 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 3iwi s PHE 60 Cb -0.16 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 3iwi s PHE 60 CO 0.13 0.36 1.19 -1.21 0.70 0.00 0.00 175.22 176.40 3iwi s GLU 61 N -1.92 4.41 0.35 0.44 2.02 -1.26 -1.41 118.70 121.32 3iwi s GLU 61 Ca 0.18 1.72 0.22 0.00 0.02 0.00 0.00 54.97 57.11 3iwi s GLU 61 Cb -0.11 -3.44 0.21 0.00 0.10 0.00 0.00 34.13 30.89 3iwi s GLU 61 CO 0.10 -0.32 1.41 -0.07 0.02 0.00 0.00 175.26 176.39 3iwi h LEU 62 N 7.34 0.00 0.00 1.80 3.38 -1.44 -3.43 115.31 122.95 3iwi h LEU 62 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3iwi h LEU 62 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3iwi h LEU 62 CO 0.83 0.06 0.00 0.61 0.09 0.00 0.00 178.44 180.03 3iwi n GLY 63 N 1.14 2.77 0.01 0.83 0.00 -1.25 -2.37 105.19 106.32 3iwi n GLY 63 Ca 0.02 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 0.64 0.04 0.29 1.61 7.64 -1.26 -0.94 113.62 121.64 3iwi n SER 64 Ca 0.00 0.52 0.17 0.00 1.01 0.00 0.00 58.87 60.57 3iwi n SER 64 Cb 0.00 -0.52 0.96 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.40 -0.53 0.44 2.07 -1.50 -0.80 116.25 116.32 3iwi h VAL 65 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3iwi h VAL 65 Cb 0.11 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3iwi h VAL 65 CO 0.00 0.00 0.39 0.28 0.02 0.00 0.00 177.57 178.26 3iwi h SER 66 N 0.00 0.00 0.03 0.57 0.02 -1.23 -1.42 113.55 111.52 3iwi h SER 66 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3iwi h SER 66 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3iwi h SER 66 CO -0.00 0.00 -0.01 0.11 -1.14 0.00 0.00 176.83 175.79 3iwi h LYS 67 N 0.00 0.00 -0.31 3.45 1.57 -1.25 -0.87 116.57 119.16 3iwi h LYS 67 Ca 0.25 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 3iwi h LYS 67 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3iwi h LYS 67 CO -0.00 0.01 -0.33 1.79 -0.57 0.00 0.00 179.45 180.35 3iwi h THR 68 N 0.00 1.28 -0.42 -0.16 1.35 -1.44 0.11 112.91 113.64 3iwi h THR 68 Ca -0.00 -1.47 -0.07 0.00 -0.55 0.00 0.00 66.41 64.31 3iwi h THR 68 Cb 0.03 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3iwi h THR 68 CO 0.00 0.48 -0.03 -0.26 -0.25 0.00 0.00 175.52 175.46 3iwi h PHE 69 N 0.58 0.83 -0.58 4.73 0.04 -1.32 -1.97 116.94 119.26 3iwi h PHE 69 Ca 0.06 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3iwi h PHE 69 Cb 0.85 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3iwi h PHE 69 CO 0.04 0.84 0.36 1.15 -0.60 0.00 0.00 178.31 180.10 3iwi h THR 70 N 0.59 1.16 -0.41 -1.55 2.02 -1.20 0.93 112.91 114.45 3iwi h THR 70 Ca 0.12 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3iwi h THR 70 Cb 0.52 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3iwi h THR 70 CO 0.03 0.16 0.23 1.23 0.37 0.00 0.00 175.52 177.54 3iwi h GLY 71 N 0.78 0.61 1.05 2.16 0.00 -0.90 -0.25 103.07 106.52 3iwi h GLY 71 Ca 0.21 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3iwi h GLY 71 CO -0.04 0.26 -0.11 -2.08 0.00 0.00 0.00 176.54 174.57 3iwi h VAL 72 N 0.53 1.27 -0.82 4.60 2.07 -1.05 0.14 116.25 122.99 3iwi h VAL 72 Ca 0.15 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.43 3iwi h VAL 72 Cb 0.05 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3iwi h VAL 72 CO -0.02 0.43 0.54 0.25 0.02 0.00 0.00 177.57 178.79 3iwi h LEU 73 N 0.77 0.95 -0.35 2.57 5.85 -0.65 0.73 115.31 125.18 3iwi h LEU 73 Ca 0.12 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3iwi h LEU 73 Cb 0.67 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3iwi h LEU 73 CO 0.05 0.69 0.17 1.23 -0.34 0.00 0.00 178.44 180.24 3iwi h GLY 74 N 1.12 0.54 0.74 3.75 0.00 -0.86 -1.70 103.07 106.66 3iwi h GLY 74 Ca 0.30 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.44 3iwi h GLY 74 CO -0.06 0.25 0.63 -1.33 0.00 0.00 0.00 176.54 176.03 3iwi h GLY 75 N 0.43 1.49 1.27 4.60 0.00 -0.44 -0.92 103.07 109.51 3iwi h GLY 75 Ca 0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 3iwi h GLY 75 CO -0.02 0.31 -0.10 -1.80 0.00 0.00 0.00 176.54 174.93 3iwi h ASP 76 N 1.13 0.85 -0.27 0.19 3.58 -0.58 -1.46 116.42 119.85 3iwi h ASP 76 Ca 0.43 -0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 3iwi h ASP 76 Cb 0.21 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3iwi h ASP 76 CO -0.17 0.97 -0.17 0.00 -2.88 0.00 0.00 179.24 176.99 3iwi h ALA 77 N 1.11 0.99 -0.14 -0.78 0.00 -0.38 -0.66 119.26 119.39 3iwi h ALA 77 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3iwi h ALA 77 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3iwi h ALA 77 CO 0.04 0.60 0.06 0.82 0.00 0.00 0.00 179.25 180.77 3iwi h ILE 78 N 0.64 1.13 -0.53 0.00 2.04 -0.94 -1.32 117.51 118.53 3iwi h ILE 78 Ca 0.10 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3iwi h ILE 78 Cb 0.64 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3iwi h ILE 78 CO 0.05 0.12 0.30 0.00 0.00 0.00 0.00 178.15 178.61 3iwi h ALA 79 N 0.92 1.53 0.00 1.87 0.00 -0.97 0.39 119.26 122.99 3iwi h ALA 79 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwi h ALA 79 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3iwi h ALA 79 CO -0.01 0.40 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3iwi n ARG 80 N -4.41 0.05 -1.01 0.00 1.74 -0.28 -4.91 116.66 107.84 3iwi n ARG 80 Ca 0.05 0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 57.42 3iwi n ARG 80 Cb 0.09 -1.60 -0.00 0.00 -1.02 0.00 0.00 32.46 29.93 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 -0.05 0.48 0.15 -0.13 0.00 0.13 -4.94 105.19 100.81 3iwi n GLY 81 Ca 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 0.64 0.38 -4.45 1.61 5.08 -1.43 -3.47 114.58 112.93 3iwi h GLU 82 Ca -0.01 -0.44 -0.18 0.00 -1.00 0.00 0.00 59.36 57.73 3iwi h GLU 82 Cb 0.09 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.33 3iwi h GLU 82 CO 0.02 1.13 -0.68 0.96 -1.00 0.00 0.00 179.01 179.43 3iwi s ILE 83 N -3.14 0.39 -0.02 3.13 -4.36 -1.20 -4.83 121.20 111.16 3iwi s ILE 83 Ca -0.05 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 58.50 3iwi s ILE 83 Cb 0.08 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 42.06 3iwi s ILE 83 CO 0.87 -0.81 -0.16 -0.54 0.24 0.00 0.00 174.94 174.53 3iwi s LYS 84 N -3.92 1.40 0.59 0.37 1.02 -1.26 -4.22 119.74 113.72 3iwi s LYS 84 Ca 0.13 -0.58 0.36 0.00 0.02 0.00 0.00 55.97 55.90 3iwi s LYS 84 Cb 0.07 -1.32 1.81 0.00 -0.52 0.00 0.00 37.83 37.87 3iwi s LYS 84 CO -0.05 0.33 2.17 -0.07 -0.92 0.00 0.00 175.35 176.81 3iwi h LEU 85 N 5.84 0.00 -0.06 3.17 3.38 -1.98 -2.17 115.31 123.49 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 0.04 -0.09 -1.54 0.09 0.00 0.00 178.44 177.42 3iwi n SER 86 N -3.27 0.18 -4.78 -0.43 3.41 -1.26 -1.36 113.62 106.11 3iwi n SER 86 Ca -0.02 -0.02 -0.37 0.00 -0.26 0.00 0.00 58.87 58.20 3iwi n SER 86 Cb 0.19 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.76 7.02 0.47 4.04 1.01 -0.82 -4.86 116.67 120.77 3iwi s ASP 87 Ca 0.21 2.01 -0.24 0.00 0.71 0.00 0.00 52.55 55.24 3iwi s ASP 87 Cb 0.19 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 3iwi s ASP 87 CO 0.52 -0.31 1.32 -2.84 0.21 0.00 0.00 175.17 174.08 3iwi s PRO 88 N -2.20 3.58 0.32 8.23 0.02 -1.26 -1.69 135.00 142.00 3iwi s PRO 88 Ca 0.53 2.17 0.07 0.00 0.02 0.00 0.00 61.00 63.79 3iwi s PRO 88 Cb -0.22 -2.50 0.75 0.00 0.02 0.00 0.00 34.50 32.55 3iwi s PRO 88 CO 0.28 -0.81 1.81 1.15 -0.33 0.00 0.00 177.00 179.10 3iwi h THR 89 N 1.97 0.76 0.00 0.99 2.02 -1.41 -1.76 112.91 115.49 3iwi h THR 89 Ca -0.50 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 3iwi h THR 89 Cb 1.27 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3iwi h THR 89 CO 0.60 0.14 -0.01 0.71 0.37 0.00 0.00 175.52 177.33 3iwi h THR 90 N 0.77 0.07 -0.67 3.16 1.35 -1.81 -1.62 112.91 114.15 3iwi h THR 90 Ca 0.53 -0.18 0.01 0.00 -0.55 0.00 0.00 66.41 66.22 3iwi h THR 90 Cb 0.83 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 3iwi h THR 90 CO -0.31 0.01 0.44 0.50 -0.25 0.00 0.00 175.52 175.91 3iwi h LYS 91 N 0.00 0.89 0.00 4.72 3.64 -1.69 -2.35 116.57 121.78 3iwi h LYS 91 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3iwi h LYS 91 Cb 0.17 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3iwi h LYS 91 CO 0.00 0.59 -0.91 0.66 -2.27 0.00 0.00 179.45 177.53 3iwi n TYR 92 N -4.43 0.00 -3.29 1.91 4.02 -0.66 -4.60 117.16 110.11 3iwi n TYR 92 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.72 3iwi n TYR 92 Cb 0.04 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.46 -1.19 0.30 -0.72 -0.00 -0.93 -5.00 117.44 108.45 3iwi n TRP 93 Ca 0.03 -3.12 0.18 0.00 -0.00 0.00 0.00 57.50 54.59 3iwi n TRP 93 Cb 0.30 0.32 0.90 0.00 -0.00 0.00 0.00 31.31 32.83 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 5.31 0.00 0.00 5.87 0.11 -1.68 -1.55 132.00 140.06 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 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3iwi h PRO 94 CO 0.35 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.10 3iwi h GLU 95 N 0.00 0.00 -4.69 1.05 3.07 -1.95 -3.36 114.58 108.71 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 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 3iwi h GLU 95 CO 0.00 0.00 2.79 -0.11 -1.40 0.00 0.00 179.01 180.30 3iwi n LEU 96 N -2.31 6.15 0.02 1.33 7.94 -0.58 -4.72 117.00 124.82 3iwi n LEU 96 Ca 0.01 -4.05 0.12 0.00 -1.11 0.00 0.00 56.01 50.97 3iwi n LEU 96 Cb 0.17 -1.69 0.24 0.00 0.53 0.00 0.00 43.42 42.66 3iwi n LEU 96 CO 0.17 0.75 0.43 0.35 -1.11 0.00 0.00 177.39 177.98 3iwi n THR 97 N 5.58 0.12 -1.91 1.96 -2.24 -1.26 -4.85 114.28 111.68 3iwi n THR 97 Ca 0.51 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.79 3iwi n THR 97 Cb 0.42 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -3.06 3.42 0.40 6.98 0.00 -1.26 -4.88 121.76 123.36 3iwi s ALA 98 Ca 0.09 1.42 0.29 0.00 0.00 0.00 0.00 51.96 53.76 3iwi s ALA 98 Cb 0.16 -3.55 1.50 0.00 0.00 0.00 0.00 23.12 21.23 3iwi s ALA 98 CO 0.70 -0.96 2.08 0.87 0.00 0.00 0.00 175.76 178.45 3iwi h LYS 99 N 2.86 0.00 0.00 0.00 1.57 -1.93 -2.12 116.57 116.95 3iwi h LYS 99 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3iwi h LYS 99 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3iwi h LYS 99 CO 0.63 0.10 0.00 -0.56 -0.57 0.00 0.00 179.45 179.06 3iwi h GLN 100 N 0.00 0.00 0.00 3.15 -0.00 -1.94 -2.40 115.11 113.92 3iwi h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3iwi h GLN 100 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 3iwi h GLN 100 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.75 3iwi n TRP 101 N -2.64 0.90 -1.64 0.06 7.02 -0.80 -4.72 117.44 115.61 3iwi n TRP 101 Ca 0.00 0.27 -0.43 0.00 -1.02 0.00 0.00 57.50 56.32 3iwi n TRP 101 Cb 0.19 -0.94 -0.03 0.00 -2.42 0.00 0.00 31.31 28.11 3iwi n TRP 101 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3iwi n ASN 102 N -2.24 3.83 0.00 -0.99 5.03 -0.91 -1.56 115.26 118.43 3iwi n ASN 102 Ca 0.05 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.23 3iwi n ASN 102 Cb 0.41 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.66 3iwi n ASN 102 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iwi n GLY 103 N 4.88 0.65 3.59 7.41 0.00 -1.26 -5.00 105.19 115.46 3iwi n GLY 103 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.37 4.94 0.40 -0.61 1.01 -0.60 -4.88 121.20 119.09 3iwi s ILE 104 Ca 0.00 0.74 0.08 0.00 0.00 0.00 0.00 60.65 61.47 3iwi s ILE 104 Cb 0.00 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 3iwi s ILE 104 CO 0.00 -0.18 0.48 0.42 0.00 0.00 0.00 174.94 175.66 3iwi s THR 105 N 2.61 3.09 0.38 2.92 -4.23 -1.26 -1.16 115.64 117.99 3iwi s THR 105 Ca 0.24 -1.12 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 3iwi s THR 105 Cb -0.15 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 70.90 3iwi s THR 105 CO 0.13 -0.03 2.02 -0.07 -0.54 0.00 0.00 174.62 176.12 3iwi h LEU 106 N 0.83 0.59 -0.41 4.79 3.38 -1.32 -1.70 115.31 121.47 3iwi h LEU 106 Ca -0.42 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3iwi h LEU 106 Cb 1.27 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3iwi h LEU 106 CO 0.50 0.42 0.09 0.25 0.09 0.00 0.00 178.44 179.79 3iwi h LEU 107 N 0.69 0.02 -0.80 1.67 5.85 -1.50 -0.92 115.31 120.32 3iwi h LEU 107 Ca 0.22 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.01 3iwi h LEU 107 Cb 0.02 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3iwi h LEU 107 CO -0.05 0.05 0.53 0.45 -0.34 0.00 0.00 178.44 179.07 3iwi h HIS 108 N 0.22 1.01 -0.21 1.25 3.86 -1.60 -1.99 115.15 117.69 3iwi h HIS 108 Ca 0.20 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3iwi h HIS 108 Cb 0.24 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3iwi h HIS 108 CO -0.20 0.64 0.10 -0.07 0.86 0.00 0.00 177.93 179.26 3iwi h LEU 109 N 1.09 0.27 -2.02 2.43 3.38 -1.03 -0.64 115.31 118.78 3iwi h LEU 109 Ca 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3iwi h LEU 109 Cb -0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3iwi h LEU 109 CO -0.06 0.33 -0.09 0.00 0.09 0.00 0.00 178.44 178.70 3iwi h ALA 110 N 0.96 1.47 -0.07 1.53 0.00 -0.80 -2.94 119.26 119.41 3iwi h ALA 110 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwi h ALA 110 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iwi h ALA 110 CO -0.01 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.61 3iwi n THR 111 N -3.88 1.24 -2.24 0.00 -2.24 -0.78 -4.45 114.28 101.94 3iwi n THR 111 Ca -0.02 -1.29 -0.15 0.00 -2.27 0.00 0.00 64.05 60.31 3iwi n THR 111 Cb 0.19 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.52 -0.67 -0.75 4.78 4.01 -0.87 -4.84 117.16 118.30 3iwi n TYR 112 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.88 3iwi n TYR 112 Cb 0.39 -3.12 0.18 0.00 -0.31 0.00 0.00 39.34 36.48 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 -3.93 1.81 0.35 -0.72 -2.24 -0.30 -1.67 114.28 107.58 3iwi n THR 113 Ca -0.18 -1.70 0.13 0.00 -2.27 0.00 0.00 64.05 60.03 3iwi n THR 113 Cb 0.63 -0.02 0.55 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.25 1.00 0.00 6.98 0.00 -1.80 0.10 119.26 126.79 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 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3iwi h ALA 114 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3iwi n GLY 115 N -0.14 1.82 0.39 0.00 0.00 -1.26 -4.28 105.19 101.72 3iwi n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.03 1.04 3.74 -0.02 0.00 -1.26 -1.84 105.19 106.82 3iwi n GLY 116 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.12 5.15 -4.79 0.99 4.77 -1.26 -4.77 117.00 116.97 3iwi n LEU 117 Ca 0.00 1.05 -0.32 0.00 -0.03 0.00 0.00 56.01 56.71 3iwi n LEU 117 Cb 0.13 -1.58 0.04 0.00 -2.33 0.00 0.00 43.42 39.68 3iwi n LEU 117 CO 0.00 -0.44 0.72 -2.16 -1.33 0.00 0.00 177.39 174.18 3iwi s PRO 118 N -2.62 2.92 0.22 3.23 0.04 -1.26 -4.73 135.00 132.80 3iwi s PRO 118 Ca 0.66 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 3iwi s PRO 118 Cb -0.44 -1.98 0.30 0.00 0.04 0.00 0.00 34.50 32.42 3iwi s PRO 118 CO 0.54 -1.13 1.77 1.25 0.04 0.00 0.00 177.00 179.47 3iwi h LEU 119 N -0.14 0.41 -8.51 -3.56 5.85 -1.92 -3.27 115.31 104.16 3iwi h LEU 119 Ca -0.46 0.06 -0.67 0.00 0.84 0.00 0.00 57.88 57.65 3iwi h LEU 119 Cb 1.23 -0.01 -0.30 0.00 0.37 0.00 0.00 40.66 41.95 3iwi h LEU 119 CO 0.55 0.24 -0.88 -1.10 -0.34 0.00 0.00 178.44 176.92 3iwi s GLN 120 N -6.07 2.13 0.16 1.25 -0.21 -1.26 -0.42 119.66 115.24 3iwi s GLN 120 Ca -0.13 -0.86 -0.31 0.00 0.02 0.00 0.00 55.36 54.08 3iwi s GLN 120 Cb 0.17 -1.96 -0.09 0.00 1.00 0.00 0.00 33.01 32.14 3iwi s GLN 120 CO 0.76 0.46 1.38 0.08 -2.12 0.00 0.00 175.29 175.85 3iwi s VAL 121 N -0.41 3.17 0.44 1.09 1.01 -1.26 -4.83 120.40 119.60 3iwi s VAL 121 Ca 0.05 0.89 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 3iwi s VAL 121 Cb -0.11 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3iwi s VAL 121 CO 0.01 0.10 1.25 -2.65 0.00 0.00 0.00 175.10 173.80 3iwi n PRO 122 N 3.35 1.84 -0.09 2.72 -0.02 -1.26 -4.87 135.00 136.67 3iwi n PRO 122 Ca 0.09 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3iwi n PRO 122 Cb 0.42 -2.37 0.51 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.95 0.35 0.64 2.55 3.58 -1.95 -2.33 116.42 121.20 3iwi h ASP 123 Ca -0.48 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3iwi h ASP 123 Cb 1.30 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3iwi h ASP 123 CO 0.59 0.21 0.00 1.05 -2.88 0.00 0.00 179.24 178.21 3iwi h GLU 124 N 0.39 0.00 -6.25 0.28 9.09 -1.97 -3.43 114.58 112.68 3iwi h GLU 124 Ca 0.29 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 59.15 3iwi h GLU 124 Cb 0.61 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.70 3iwi h GLU 124 CO -0.08 0.00 1.04 0.08 0.05 0.00 0.00 179.01 180.10 3iwi s VAL 125 N -3.81 3.69 0.10 -1.06 1.01 -0.88 -4.84 120.40 114.62 3iwi s VAL 125 Ca -0.01 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3iwi s VAL 125 Cb 0.10 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3iwi s VAL 125 CO 0.48 -0.07 0.00 0.29 0.00 0.00 0.00 175.10 175.80 3iwi n LYS 126 N 6.89 0.00 -2.13 2.72 4.76 -1.26 -4.52 118.16 124.62 3iwi n LYS 126 Ca 0.16 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.33 3iwi n LYS 126 Cb 0.43 -0.38 0.06 0.00 -1.84 0.00 0.00 35.03 33.31 3iwi n LYS 126 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3iwi s SER 127 N -5.52 4.96 0.37 4.39 1.04 -1.26 -3.79 113.70 113.88 3iwi s SER 127 Ca 0.00 0.65 0.04 0.00 0.48 0.00 0.00 55.95 57.12 3iwi s SER 127 Cb 0.00 -1.34 0.70 0.00 0.10 0.00 0.00 66.02 65.48 3iwi s SER 127 CO 0.00 -1.54 2.00 0.77 0.98 0.00 0.00 173.24 175.45 3iwi h SER 128 N -0.63 0.61 -0.63 7.02 4.64 -1.99 -1.87 113.55 120.70 3iwi h SER 128 Ca -0.45 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3iwi h SER 128 Cb 1.30 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3iwi h SER 128 CO 0.62 0.48 0.05 0.28 -0.87 0.00 0.00 176.83 177.38 3iwi h SER 129 N 0.70 1.05 -0.85 4.97 0.02 -2.00 -2.20 113.55 115.25 3iwi h SER 129 Ca 0.18 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3iwi h SER 129 Cb -0.02 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 3iwi h SER 129 CO -0.03 1.08 0.53 0.44 -1.14 0.00 0.00 176.83 177.70 3iwi h ASP 130 N 0.99 1.00 -0.21 3.07 3.32 -1.79 -1.50 116.42 121.30 3iwi h ASP 130 Ca 0.18 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3iwi h ASP 130 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3iwi h ASP 130 CO 0.02 0.75 0.00 0.25 -1.72 0.00 0.00 179.24 178.55 3iwi h LEU 131 N 1.16 0.37 -0.55 1.55 6.46 -1.18 -1.91 115.31 121.21 3iwi h LEU 131 Ca 0.31 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3iwi h LEU 131 Cb -0.08 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.71 3iwi h LEU 131 CO -0.06 0.59 0.32 0.25 -0.62 0.00 0.00 178.44 178.91 3iwi h LEU 132 N 0.14 0.50 -0.46 2.25 5.85 -1.27 -2.35 115.31 119.97 3iwi h LEU 132 Ca 0.06 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3iwi h LEU 132 Cb 0.40 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3iwi h LEU 132 CO 0.01 0.35 0.25 -0.09 -0.34 0.00 0.00 178.44 178.62 3iwi h ARG 133 N 0.63 0.48 -0.06 1.25 2.43 -1.16 0.70 114.38 118.64 3iwi h ARG 133 Ca 0.23 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3iwi h ARG 133 Cb 0.06 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3iwi h ARG 133 CO -0.11 0.32 -0.16 0.35 -1.51 0.00 0.00 179.97 178.85 3iwi h PHE 134 N 0.49 -0.41 -0.10 2.20 3.57 -0.98 -0.45 116.94 121.26 3iwi h PHE 134 Ca 0.19 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 3iwi h PHE 134 Cb 0.07 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3iwi h PHE 134 CO -0.09 -0.23 -0.50 1.88 -2.23 0.00 0.00 178.31 177.14 3iwi h TYR 135 N -0.23 0.32 -0.26 0.41 0.05 -1.17 -2.14 116.97 113.95 3iwi h TYR 135 Ca 0.07 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 3iwi h TYR 135 Cb 0.33 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3iwi h TYR 135 CO -0.24 0.71 -0.30 1.96 -1.05 0.00 0.00 178.16 179.24 3iwi h GLN 136 N 0.21 0.53 0.00 4.88 1.08 -0.58 -3.18 115.11 118.05 3iwi h GLN 136 Ca 0.01 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3iwi h GLN 136 Cb 0.96 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 3iwi h GLN 136 CO 0.08 0.78 -0.65 -0.91 -0.95 0.00 0.00 178.83 177.18 3iwi h ASN 137 N 0.46 0.00 -2.73 1.46 -0.26 -0.93 -3.46 115.58 110.12 3iwi h ASN 137 Ca 0.06 -0.17 -0.52 0.00 -0.56 0.00 0.00 56.30 55.11 3iwi h ASN 137 Cb 0.75 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 38.06 3iwi h ASN 137 CO 0.06 0.08 0.96 0.86 -1.06 0.00 0.00 177.43 178.33 3iwi s TRP 138 N -3.20 2.90 -0.33 1.19 -0.00 -0.82 -4.99 118.94 113.69 3iwi s TRP 138 Ca 0.05 0.44 -0.09 0.00 -0.00 0.00 0.00 56.10 56.51 3iwi s TRP 138 Cb 0.12 -4.04 0.02 0.00 -0.00 0.00 0.00 33.47 29.57 3iwi s TRP 138 CO 0.73 -3.94 0.14 -0.65 -0.00 0.00 0.00 176.95 173.22 3iwi s GLN 139 N 1.34 2.93 0.36 5.86 -1.52 -1.26 -4.99 119.66 122.38 3iwi s GLN 139 Ca 0.73 -0.99 -0.28 0.00 -1.95 0.00 0.00 55.36 52.87 3iwi s GLN 139 Cb -0.46 -3.54 -0.10 0.00 -0.22 0.00 0.00 33.01 28.68 3iwi s GLN 139 CO 0.32 -0.58 1.40 -1.25 -0.25 0.00 0.00 175.29 174.93 3iwi s PRO 140 N 1.51 4.18 0.25 2.91 0.04 -1.26 -4.93 135.00 137.70 3iwi s PRO 140 Ca 0.02 2.39 0.15 0.00 0.04 0.00 0.00 61.00 63.60 3iwi s PRO 140 Cb -0.18 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.40 3iwi s PRO 140 CO 0.05 -0.40 1.37 0.00 0.04 0.00 0.00 177.00 178.05 3iwi h ALA 141 N 3.10 0.64 -2.46 8.56 0.00 -1.66 -3.48 119.26 123.96 3iwi h ALA 141 Ca -0.50 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 53.57 3iwi h ALA 141 Cb 1.24 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 3iwi h ALA 141 CO 0.64 0.70 -0.72 -1.58 0.00 0.00 0.00 179.25 178.30 3iwi s TRP 142 N -2.94 1.14 0.67 0.00 0.51 -1.18 -5.08 118.94 112.07 3iwi s TRP 142 Ca 0.03 -0.73 -0.17 0.00 -2.12 0.00 0.00 56.10 53.11 3iwi s TRP 142 Cb 0.08 -0.60 0.01 0.00 -0.81 0.00 0.00 33.47 32.14 3iwi s TRP 142 CO 0.76 0.02 1.21 0.00 -0.51 0.00 0.00 176.95 178.43 3iwi s ALA 143 N -2.97 2.30 0.53 0.98 0.00 -1.26 -4.44 121.76 116.90 3iwi s ALA 143 Ca 0.11 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 3iwi s ALA 143 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3iwi s ALA 143 CO -0.00 -1.59 1.32 -2.14 0.00 0.00 0.00 175.76 173.35 3iwi s PRO 144 N -3.68 3.27 -1.15 0.00 0.02 -1.26 -3.33 135.00 128.87 3iwi s PRO 144 Ca 0.76 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.93 3iwi s PRO 144 Cb -0.30 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.92 3iwi s PRO 144 CO 0.41 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 3iwi n GLY 145 N 0.67 -0.13 0.02 0.52 0.00 0.02 -4.91 105.19 101.38 3iwi n GLY 145 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.97 0.31 -4.02 2.61 -2.24 -1.21 -4.85 114.28 100.91 3iwi n THR 146 Ca -0.16 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3iwi n THR 146 Cb 0.62 -0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.11 0.31 -0.19 -0.78 -0.21 -1.26 -1.84 119.66 113.58 3iwi s GLN 147 Ca -0.04 -0.39 -0.13 0.00 0.02 0.00 0.00 55.36 54.82 3iwi s GLN 147 Cb 0.02 -0.14 -0.05 0.00 1.00 0.00 0.00 33.01 33.84 3iwi s GLN 147 CO 0.16 0.03 0.26 0.50 -2.12 0.00 0.00 175.29 174.11 3iwi s ARG 148 N -0.80 4.20 -0.21 2.91 3.52 0.52 -4.35 118.95 124.75 3iwi s ARG 148 Ca -0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.49 3iwi s ARG 148 Cb -0.06 -3.47 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3iwi s ARG 148 CO -0.00 0.16 0.07 -1.17 -0.81 0.00 0.00 175.30 173.55 3iwi s LEU 149 N 0.72 0.91 0.05 -0.88 2.96 -0.67 -1.76 118.68 120.01 3iwi s LEU 149 Ca 0.14 -0.86 -0.36 0.00 -0.22 0.00 0.00 54.13 52.82 3iwi s LEU 149 Cb -0.13 -0.47 -0.15 0.00 0.50 0.00 0.00 46.19 45.94 3iwi s LEU 149 CO 0.04 -0.34 1.49 0.00 -1.32 0.00 0.00 176.35 176.22 3iwi n TYR 150 N 5.13 1.85 -3.68 5.38 4.19 -1.26 -4.78 117.16 123.98 3iwi n TYR 150 Ca -0.07 0.48 -0.10 0.00 3.31 0.00 0.00 57.90 61.52 3iwi n TYR 150 Cb 0.47 -2.43 -0.10 0.00 0.49 0.00 0.00 39.34 37.77 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 1.25 -1.12 0.35 2.98 0.00 -1.26 -4.50 121.76 119.46 3iwi s ALA 151 Ca 0.85 1.57 0.12 0.00 0.00 0.00 0.00 51.96 54.50 3iwi s ALA 151 Cb -0.88 -1.06 0.65 0.00 0.00 0.00 0.00 23.12 21.83 3iwi s ALA 151 CO 0.47 -0.40 1.79 -0.91 0.00 0.00 0.00 175.76 176.70 3iwi h ASN 152 N 7.40 0.00 0.75 0.00 2.35 -0.91 -2.63 115.58 122.54 3iwi h ASN 152 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3iwi h ASN 152 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3iwi h ASN 152 CO 0.24 0.42 0.00 0.77 -1.65 0.00 0.00 177.43 177.21 3iwi h SER 153 N 0.00 0.00 0.00 5.81 4.64 -1.59 0.44 113.55 122.85 3iwi h SER 153 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwi h SER 153 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3iwi h SER 153 CO 0.05 0.00 -0.19 -1.28 -0.87 0.00 0.00 176.83 174.54 3iwi h SER 154 N 0.00 0.00 -0.26 4.97 0.87 -1.72 -3.19 113.55 114.23 3iwi h SER 154 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3iwi h SER 154 Cb 0.37 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3iwi h SER 154 CO 0.00 0.44 0.14 -0.29 -0.53 0.00 0.00 176.83 176.59 3iwi h ILE 155 N -0.68 1.11 -0.44 2.23 6.09 -1.35 -1.90 117.51 122.55 3iwi h ILE 155 Ca 0.00 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 63.15 3iwi h ILE 155 Cb 0.19 0.74 -0.02 0.00 0.47 0.00 0.00 36.82 38.20 3iwi h ILE 155 CO 0.00 0.12 0.14 1.23 -3.07 0.00 0.00 178.15 176.57 3iwi h GLY 156 N 0.51 0.73 1.11 8.18 0.00 -1.08 -1.24 103.07 111.28 3iwi h GLY 156 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3iwi h GLY 156 CO -0.01 0.40 -0.14 -2.00 0.00 0.00 0.00 176.54 174.78 3iwi h LEU 157 N 0.57 1.04 -0.55 3.11 5.85 -1.47 -2.14 115.31 121.72 3iwi h LEU 157 Ca 0.14 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.61 3iwi h LEU 157 Cb 0.25 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 3iwi h LEU 157 CO -0.01 1.16 0.04 0.15 -0.34 0.00 0.00 178.44 179.45 3iwi h PHE 158 N 0.91 0.04 -0.36 1.25 3.57 -1.12 -0.40 116.94 120.84 3iwi h PHE 158 Ca 0.13 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3iwi h PHE 158 Cb 0.71 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3iwi h PHE 158 CO 0.05 -0.09 0.21 0.78 -2.23 0.00 0.00 178.31 177.02 3iwi h GLY 159 N 0.16 0.52 1.01 2.40 0.00 -0.83 -0.06 103.07 106.28 3iwi h GLY 159 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3iwi h GLY 159 CO -0.43 0.22 0.35 0.00 0.00 0.00 0.00 176.54 176.69 3iwi h ALA 160 N 1.08 0.90 0.00 3.60 0.00 -0.95 -3.00 119.26 120.89 3iwi h ALA 160 Ca 0.13 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3iwi h ALA 160 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3iwi h ALA 160 CO -0.02 0.45 -0.86 -0.07 0.00 0.00 0.00 179.25 178.74 3iwi h LEU 161 N 0.97 0.22 -1.65 0.00 3.38 -0.82 -3.25 115.31 114.16 3iwi h LEU 161 Ca 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3iwi h LEU 161 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3iwi h LEU 161 CO -0.03 0.98 -0.18 0.00 0.09 0.00 0.00 178.44 179.29 3iwi h ALA 162 N 1.01 1.66 -0.01 1.53 0.00 -0.87 -1.98 119.26 120.60 3iwi h ALA 162 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iwi h ALA 162 Cb 1.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3iwi h ALA 162 CO 0.13 0.23 -0.31 1.33 0.00 0.00 0.00 179.25 180.63 3iwi n VAL 163 N -4.26 0.00 -0.08 0.00 0.24 -1.20 -4.47 118.33 108.56 3iwi n VAL 163 Ca -0.02 -0.17 -0.07 0.00 -2.04 0.00 0.00 64.34 62.03 3iwi n VAL 163 Cb 0.25 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 3iwi n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3iwi h LYS 164 N 1.64 0.13 0.00 7.34 1.57 -1.41 -2.77 116.57 123.08 3iwi h LYS 164 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3iwi h LYS 164 Cb 0.58 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3iwi h LYS 164 CO 0.00 0.09 -0.07 -1.35 -0.57 0.00 0.00 179.45 177.54 3iwi h PRO 165 N 0.14 0.00 0.00 3.15 0.11 -1.78 -2.18 132.00 131.43 3iwi h PRO 165 Ca 0.14 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 3iwi h PRO 165 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3iwi h PRO 165 CO -0.21 0.07 -0.13 0.66 -0.21 0.00 0.00 178.00 178.19 3iwi h SER 166 N 0.00 0.00 0.00 -2.05 4.64 -1.78 -3.46 113.55 110.89 3iwi h SER 166 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwi h SER 166 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3iwi h SER 166 CO 0.01 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3iwi n GLY 167 N -0.74 1.66 3.89 -0.77 0.00 -0.82 -5.02 105.19 103.39 3iwi n GLY 167 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 4.01 0.80 0.99 1.43 -1.26 -5.07 118.68 119.58 3iwi s LEU 168 Ca 0.00 0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 3iwi s LEU 168 Cb 0.00 -3.73 0.08 0.00 0.03 0.00 0.00 46.19 42.57 3iwi s LEU 168 CO 0.00 -0.23 1.15 -0.94 0.23 0.00 0.00 176.35 176.56 3iwi s SER 169 N -2.96 3.84 0.20 2.29 1.04 -1.26 -4.75 113.70 112.09 3iwi s SER 169 Ca 0.47 2.16 -0.11 0.00 0.48 0.00 0.00 55.95 58.95 3iwi s SER 169 Cb -0.11 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.66 3iwi s SER 169 CO 0.28 -2.49 1.77 0.15 0.98 0.00 0.00 173.24 173.93 3iwi h PHE 170 N -1.03 0.46 -0.58 5.02 3.57 -1.93 0.12 116.94 122.56 3iwi h PHE 170 Ca -0.45 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 3iwi h PHE 170 Cb 1.27 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3iwi h PHE 170 CO 0.51 0.18 0.26 1.49 -2.23 0.00 0.00 178.31 178.52 3iwi h GLU 171 N 0.48 0.85 -0.60 1.11 4.81 -1.98 -0.52 114.58 118.72 3iwi h GLU 171 Ca 0.27 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3iwi h GLU 171 Cb 0.25 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3iwi h GLU 171 CO -0.23 0.70 0.01 0.37 -0.73 0.00 0.00 179.01 179.14 3iwi h GLN 172 N 0.79 1.03 -0.37 1.92 5.75 -1.82 -1.07 115.11 121.34 3iwi h GLN 172 Ca 0.20 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3iwi h GLN 172 Cb 0.15 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3iwi h GLN 172 CO -0.02 1.00 0.13 0.00 -2.65 0.00 0.00 178.83 177.29 3iwi h ALA 173 N 1.06 0.48 -0.27 3.38 0.00 -0.75 -0.90 119.26 122.26 3iwi h ALA 173 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iwi h ALA 173 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3iwi h ALA 173 CO 0.03 0.10 0.17 1.98 0.00 0.00 0.00 179.25 181.53 3iwi h MET 174 N 0.45 0.35 0.29 0.00 1.85 -0.93 0.18 114.93 117.12 3iwi h MET 174 Ca 0.12 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 3iwi h MET 174 Cb 0.21 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 3iwi h MET 174 CO -0.01 0.24 -0.20 1.96 -0.40 0.00 0.00 176.91 178.50 3iwi h GLN 175 N 0.36 -0.47 -0.14 0.39 4.20 -1.08 -0.80 115.11 117.57 3iwi h GLN 175 Ca 0.10 0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.67 3iwi h GLN 175 Cb -0.04 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3iwi h GLN 175 CO -0.02 -0.31 -0.61 1.15 -0.67 0.00 0.00 178.83 178.37 3iwi h THR 176 N -0.48 1.34 0.00 -0.54 2.02 -1.08 0.18 112.91 114.35 3iwi h THR 176 Ca -0.03 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3iwi h THR 176 Cb 0.41 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 3iwi h THR 176 CO 0.01 0.58 -1.95 0.54 0.37 0.00 0.00 175.52 175.08 3iwi n ARG 177 N -3.92 0.63 0.07 6.66 1.74 0.04 -4.39 116.66 117.50 3iwi n ARG 177 Ca -0.03 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 3iwi n ARG 177 Cb 0.63 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.22 0.87 0.17 1.55 0.31 -0.61 -4.74 118.33 113.66 3iwi n VAL 178 Ca -0.04 0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 64.44 3iwi n VAL 178 Cb 0.54 -1.31 -0.08 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.36 0.13 3.52 0.04 -1.15 -2.93 116.94 116.19 3iwi h PHE 179 Ca 0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3iwi h PHE 179 Cb 0.05 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3iwi h PHE 179 CO 0.00 -0.14 -0.06 1.96 -0.60 0.00 0.00 178.31 179.46 3iwi h GLN 180 N -0.50 -0.17 0.00 1.51 4.20 -0.88 0.12 115.11 119.39 3iwi h GLN 180 Ca -0.04 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3iwi h GLN 180 Cb 0.37 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3iwi h GLN 180 CO 0.06 -0.10 -0.04 -1.35 -0.67 0.00 0.00 178.83 176.74 3iwi h PRO 181 N -0.20 0.00 -0.29 1.46 0.11 -1.76 -1.26 132.00 130.05 3iwi h PRO 181 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3iwi h PRO 181 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3iwi h PRO 181 CO 0.03 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.14 3iwi n LEU 182 N -4.43 2.28 -3.28 2.35 4.77 -1.10 -4.94 117.00 112.65 3iwi n LEU 182 Ca -0.03 -1.01 -0.24 0.00 -0.03 0.00 0.00 56.01 54.71 3iwi n LEU 182 Cb 0.12 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3iwi n LEU 182 CO 0.34 0.50 0.05 0.29 -1.33 0.00 0.00 177.39 177.25 3iwi n LYS 183 N 0.73 -5.35 -2.92 3.23 5.02 -0.48 -4.90 118.16 113.49 3iwi n LYS 183 Ca 0.17 0.80 -0.44 0.00 -2.02 0.00 0.00 58.31 56.81 3iwi n LYS 183 Cb 0.41 -5.68 -0.00 0.00 -0.02 0.00 0.00 35.03 29.74 3iwi n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iwi s LEU 184 N -6.84 4.95 0.00 -0.35 1.43 -0.03 -4.77 118.68 113.07 3iwi s LEU 184 Ca 0.41 -2.95 0.26 0.00 -1.03 0.00 0.00 54.13 50.82 3iwi s LEU 184 Cb -0.19 -2.41 0.86 0.00 0.03 0.00 0.00 46.19 44.48 3iwi s LEU 184 CO 0.51 -0.78 1.63 0.59 0.23 0.00 0.00 176.35 178.53 3iwi n ASN 185 N 5.87 1.79 -2.54 2.29 3.02 -1.26 -3.68 115.26 120.74 3iwi n ASN 185 Ca 0.38 -1.62 -0.12 0.00 -0.03 0.00 0.00 54.58 53.18 3iwi n ASN 185 Cb 0.43 -0.03 0.03 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 0.39 1.93 -4.79 3.10 8.25 -1.26 -5.03 115.22 117.82 3iwi n HIS 186 Ca 0.18 -2.46 -0.27 0.00 -0.26 0.00 0.00 57.72 54.91 3iwi n HIS 186 Cb 0.39 -0.27 -0.17 0.00 1.12 0.00 0.00 29.99 31.06 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 -4.11 1.43 0.02 1.59 2.01 -1.24 -3.59 115.64 111.74 3iwi s THR 187 Ca 0.36 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 3iwi s THR 187 Cb 0.39 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3iwi s THR 187 CO -0.02 0.42 0.03 0.26 -0.69 0.00 0.00 174.62 174.61 3iwi s TRP 188 N 0.56 0.22 -0.17 4.92 0.52 -0.33 -4.99 118.94 119.66 3iwi s TRP 188 Ca -0.16 -0.47 -0.16 0.00 0.02 0.00 0.00 56.10 55.33 3iwi s TRP 188 Cb -0.16 -0.16 -0.05 0.00 -1.15 0.00 0.00 33.47 31.94 3iwi s TRP 188 CO 0.05 -0.25 -0.32 -0.89 0.02 0.00 0.00 176.95 175.57 3iwi n ILE 189 N 1.36 1.49 -3.14 2.03 5.41 -1.26 -0.21 119.36 125.03 3iwi n ILE 189 Ca -0.22 0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.28 3iwi n ILE 189 Cb 0.56 -2.36 -0.06 0.00 -0.71 0.00 0.00 39.64 37.07 3iwi n ILE 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3iwi s ASN 190 N -5.88 6.62 -0.23 4.38 0.01 -1.26 -4.76 114.94 113.82 3iwi s ASN 190 Ca -0.26 0.76 -0.29 0.00 -0.71 0.00 0.00 52.86 52.35 3iwi s ASN 190 Cb 0.04 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.37 3iwi s ASN 190 CO 0.39 -0.28 1.05 -0.69 -1.51 0.00 0.00 177.10 176.06 3iwi s VAL 191 N 2.02 4.65 0.59 1.60 1.01 -1.26 -5.01 120.40 124.00 3iwi s VAL 191 Ca 0.27 1.99 -0.19 0.00 0.00 0.00 0.00 61.98 64.05 3iwi s VAL 191 Cb -0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3iwi s VAL 191 CO 0.10 -0.20 1.21 -2.84 0.00 0.00 0.00 175.10 173.37 3iwi s PRO 192 N 3.24 3.00 0.42 2.72 0.02 -1.26 -4.88 135.00 138.26 3iwi s PRO 192 Ca 0.44 1.85 0.19 0.00 0.02 0.00 0.00 61.00 63.51 3iwi s PRO 192 Cb -0.15 -1.96 1.13 0.00 0.02 0.00 0.00 34.50 33.54 3iwi s PRO 192 CO 0.07 -1.19 1.82 -1.35 -0.33 0.00 0.00 177.00 176.02 3iwi h PRO 193 N 0.94 0.36 0.00 5.54 0.11 -2.02 -0.23 132.00 136.70 3iwi h PRO 193 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3iwi h PRO 193 Cb 1.30 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iwi h PRO 193 CO 0.55 0.24 -0.04 0.00 -0.21 0.00 0.00 178.00 178.54 3iwi h ALA 194 N 1.60 1.13 -0.01 -0.75 0.00 -2.03 -2.71 119.26 116.48 3iwi h ALA 194 Ca 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3iwi h ALA 194 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3iwi h ALA 194 CO -0.21 0.05 -0.49 0.39 0.00 0.00 0.00 179.25 178.99 3iwi n GLU 195 N -3.31 1.29 0.00 0.00 -0.58 -0.11 -4.51 120.64 113.42 3iwi n GLU 195 Ca -0.02 -0.84 0.08 0.00 -0.42 0.00 0.00 57.16 55.97 3iwi n GLU 195 Cb 0.18 -1.41 0.50 0.00 -0.57 0.00 0.00 31.44 30.13 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 2.00 0.38 -0.34 3.49 5.08 -1.38 -0.50 114.58 123.31 3iwi h GLU 196 Ca 0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3iwi h GLU 196 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3iwi h GLU 196 CO 0.00 0.25 0.33 1.57 -1.00 0.00 0.00 179.01 180.17 3iwi h LYS 197 N 0.39 0.00 -0.06 2.33 2.10 -1.80 -1.53 116.57 118.01 3iwi h LYS 197 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3iwi h LYS 197 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3iwi h LYS 197 CO -0.04 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.50 3iwi n ASN 198 N -3.88 2.86 -4.54 7.07 5.03 -0.20 -4.90 115.26 116.69 3iwi n ASN 198 Ca 0.05 -1.91 -0.43 0.00 0.87 0.00 0.00 54.58 53.17 3iwi n ASN 198 Cb 0.50 -0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 39.20 3iwi n ASN 198 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3iwi s TYR 199 N -1.77 2.79 0.61 3.10 5.04 -0.58 -0.01 117.35 126.53 3iwi s TYR 199 Ca 0.26 0.15 -0.19 0.00 -2.44 0.00 0.00 57.07 54.86 3iwi s TYR 199 Cb 0.18 -4.14 -0.03 0.00 0.35 0.00 0.00 41.96 38.33 3iwi s TYR 199 CO 0.27 -1.34 1.19 0.00 -1.34 0.00 0.00 175.55 174.34 3iwi n ALA 200 N 7.58 0.90 -1.96 3.97 0.00 -0.77 -4.94 120.51 125.29 3iwi n ALA 200 Ca 0.04 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 3iwi n ALA 200 Cb 0.48 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.40 3.66 0.49 0.00 0.52 0.11 -4.93 118.94 117.38 3iwi s TRP 201 Ca 0.78 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 58.39 3iwi s TRP 201 Cb -0.40 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 3iwi s TRP 201 CO 0.45 0.28 0.81 0.20 0.02 0.00 0.00 176.95 178.70 3iwi s GLY 202 N -1.65 1.56 -0.13 0.98 0.00 -0.09 -4.82 107.32 103.17 3iwi s GLY 202 Ca 0.46 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.75 3iwi s GLY 202 CO 0.22 -0.26 -0.09 -0.19 0.00 0.00 0.00 173.10 172.78 3iwi s TYR 203 N -2.74 1.67 -0.16 1.90 2.02 -0.71 -0.39 117.35 118.94 3iwi s TYR 203 Ca 0.48 -0.90 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3iwi s TYR 203 Cb -0.10 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3iwi s TYR 203 CO 0.44 -0.56 -0.06 0.50 -1.57 0.00 0.00 175.55 174.30 3iwi s ARG 204 N 1.65 1.46 -1.46 -0.62 3.52 -0.49 -4.42 118.95 118.59 3iwi s ARG 204 Ca 0.04 -0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 55.05 3iwi s ARG 204 Cb -0.13 -1.97 0.05 0.00 -1.56 0.00 0.00 34.95 31.33 3iwi s ARG 204 CO -0.09 -0.41 0.83 0.39 -0.81 0.00 0.00 175.30 175.21 3iwi n GLU 205 N 4.88 -5.42 -0.72 5.12 1.02 -1.26 -1.29 120.64 122.96 3iwi n GLU 205 Ca -0.12 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 3iwi n GLU 205 Cb 0.48 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 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 -1.61 1.32 3.74 0.62 0.00 -1.26 -5.03 105.19 102.98 3iwi n GLY 206 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 3.41 -0.03 1.61 1.02 -0.42 -5.06 119.74 120.18 3iwi s LYS 207 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 3iwi s LYS 207 Cb 0.00 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3iwi s LYS 207 CO 0.00 0.62 1.33 0.00 -0.92 0.00 0.00 175.35 176.38 3iwi s ALA 208 N -0.62 3.56 0.03 5.17 0.00 -1.26 -1.39 121.76 127.24 3iwi s ALA 208 Ca 0.11 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3iwi s ALA 208 Cb -0.12 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3iwi s ALA 208 CO 0.02 -0.89 -0.05 0.14 0.00 0.00 0.00 175.76 174.98 3iwi s VAL 209 N 2.44 0.29 0.13 0.00 -7.23 0.47 -4.94 120.40 111.56 3iwi s VAL 209 Ca 0.61 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.86 3iwi s VAL 209 Cb -0.29 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 3iwi s VAL 209 CO 0.24 -0.46 -0.17 -1.00 -0.31 0.00 0.00 175.10 173.40 3iwi s HIS 210 N -1.46 1.66 0.67 2.82 3.76 -1.26 -0.92 115.29 120.56 3iwi s HIS 210 Ca -0.13 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.13 3iwi s HIS 210 Cb -0.10 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 3iwi s HIS 210 CO -0.01 0.23 1.14 0.00 -0.85 0.00 0.00 174.74 175.26 3iwi n ALA 211 N 0.61 0.53 -1.74 -1.40 0.00 -1.26 -4.98 120.51 112.26 3iwi n ALA 211 Ca -0.16 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 3iwi n ALA 211 Cb 0.56 -2.23 0.05 0.00 0.00 0.00 0.00 19.45 17.83 3iwi n ALA 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwi s ALA 212 N -1.57 2.64 0.30 0.00 0.00 -1.26 -4.95 121.76 116.92 3iwi s ALA 212 Ca 0.79 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 3iwi s ALA 212 Cb -0.37 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.08 3iwi s ALA 212 CO 0.45 -1.40 1.36 0.00 0.00 0.00 0.00 175.76 176.16 3iwi n ALA 213 N -1.39 1.36 -1.36 0.00 0.00 -1.26 -4.93 120.51 112.94 3iwi n ALA 213 Ca 0.13 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 3iwi n ALA 213 Cb 0.47 -2.28 0.09 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.66 2.45 -0.01 0.00 -7.23 -1.26 -5.05 120.40 108.64 3iwi s VAL 214 Ca 0.60 0.21 -0.13 0.00 -1.81 0.00 0.00 61.98 60.86 3iwi s VAL 214 Cb -0.59 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 33.61 3iwi s VAL 214 CO 0.57 -0.12 0.27 -0.94 -0.31 0.00 0.00 175.10 174.57 3iwi s SER 215 N -2.15 -0.14 0.37 4.85 1.04 -1.26 -5.00 113.70 111.40 3iwi s SER 215 Ca 0.73 0.00 0.07 0.00 0.48 0.00 0.00 55.95 57.23 3iwi s SER 215 Cb -0.27 0.29 0.71 0.00 0.10 0.00 0.00 66.02 66.84 3iwi s SER 215 CO 0.45 -0.44 1.90 1.55 0.98 0.00 0.00 173.24 177.68 3iwi h PRO 216 N 3.91 0.37 0.00 4.02 0.13 -1.97 -2.54 132.00 135.92 3iwi h PRO 216 Ca -0.30 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 3iwi h PRO 216 Cb 1.18 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3iwi h PRO 216 CO 0.41 0.45 -0.04 0.78 -0.23 0.00 0.00 178.00 179.37 3iwi h GLY 217 N 0.77 0.00 0.55 1.56 0.00 -1.83 -2.99 103.07 101.14 3iwi h GLY 217 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3iwi h GLY 217 CO 0.02 0.00 -1.14 0.00 0.00 0.00 0.00 176.54 175.42 3iwi n ALA 218 N -2.12 3.26 -3.98 3.60 0.00 -0.97 -4.70 120.51 115.60 3iwi n ALA 218 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 3iwi n ALA 218 Cb 0.33 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.07 -1.79 0.02 0.00 4.77 -1.13 -4.76 117.00 112.04 3iwi n LEU 219 Ca 0.01 -0.83 -0.04 0.00 -0.03 0.00 0.00 56.01 55.12 3iwi n LEU 219 Cb 0.46 -2.16 -0.10 0.00 -2.33 0.00 0.00 43.42 39.29 3iwi n LEU 219 CO 0.41 0.29 -0.30 -2.24 -1.33 0.00 0.00 177.39 174.22 3iwi h ASP 220 N -1.47 0.00 -0.92 -1.43 2.03 -1.89 -2.85 116.42 109.89 3iwi h ASP 220 Ca -0.55 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 55.82 3iwi h ASP 220 Cb 1.36 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.79 3iwi h ASP 220 CO 0.71 0.80 0.58 0.00 -1.03 0.00 0.00 179.24 180.29 3iwi h ALA 221 N 1.20 1.29 0.00 4.15 0.00 -1.90 0.16 119.26 124.16 3iwi h ALA 221 Ca -0.19 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3iwi h ALA 221 Cb 1.78 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3iwi h ALA 221 CO 0.07 0.32 -0.77 0.93 0.00 0.00 0.00 179.25 179.80 3iwi h GLU 222 N 1.03 0.00 0.00 0.00 3.07 -1.88 -3.30 114.58 113.50 3iwi h GLU 222 Ca 0.41 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.02 3iwi h GLU 222 Cb 0.21 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 3iwi h GLU 222 CO -0.19 0.77 -1.93 0.00 -1.40 0.00 0.00 179.01 176.26 3iwi n ALA 223 N -2.37 1.65 -2.12 3.43 0.00 -1.08 -4.62 120.51 115.41 3iwi n ALA 223 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 53.44 52.65 3iwi n ALA 223 Cb 0.76 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.81 0.00 -0.20 0.00 0.18 0.09 -3.86 117.16 110.56 3iwi n TYR 224 Ca -0.27 -0.37 0.10 0.00 1.88 0.00 0.00 57.90 59.24 3iwi n TYR 224 Cb 0.85 0.26 0.25 0.00 -0.38 0.00 0.00 39.34 40.32 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 0.12 2.40 3.81 -7.48 0.00 0.35 -3.93 105.19 100.45 3iwi n GLY 225 Ca -0.13 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.06 4.59 -0.02 1.61 1.01 -1.26 -4.43 120.40 120.84 3iwi s VAL 226 Ca 0.38 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.77 3iwi s VAL 226 Cb 0.20 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3iwi s VAL 226 CO 0.27 0.40 -0.25 -0.54 0.00 0.00 0.00 175.10 174.98 3iwi s LYS 227 N -1.48 2.02 0.23 2.72 3.01 0.71 -1.16 119.74 125.79 3iwi s LYS 227 Ca 0.36 -0.89 -0.13 0.00 -1.01 0.00 0.00 55.97 54.30 3iwi s LYS 227 Cb -0.19 -1.95 0.00 0.00 -1.01 0.00 0.00 37.83 34.68 3iwi s LYS 227 CO 0.22 0.53 0.47 0.45 0.51 0.00 0.00 175.35 177.52 3iwi s SER 228 N -0.57 -0.10 0.39 2.83 0.15 -0.50 -1.19 113.70 114.70 3iwi s SER 228 Ca 0.09 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 55.95 3iwi s SER 228 Cb -0.10 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3iwi s SER 228 CO -0.01 -1.10 0.55 0.42 1.20 0.00 0.00 173.24 174.30 3iwi s THR 229 N -3.99 3.79 0.40 6.45 -4.23 -1.24 -1.07 115.64 115.76 3iwi s THR 229 Ca 0.20 -0.88 0.12 0.00 -1.18 0.00 0.00 61.69 59.95 3iwi s THR 229 Cb -0.00 -3.33 0.15 0.00 1.34 0.00 0.00 72.50 70.66 3iwi s THR 229 CO 0.06 -0.15 1.92 -0.29 -0.54 0.00 0.00 174.62 175.62 3iwi h ILE 230 N 0.70 1.18 -0.13 2.99 6.09 -1.73 -1.12 117.51 125.49 3iwi h ILE 230 Ca -0.45 -0.84 -0.04 0.00 -1.37 0.00 0.00 64.86 62.17 3iwi h ILE 230 Cb 1.26 1.36 -0.00 0.00 0.47 0.00 0.00 36.82 39.91 3iwi h ILE 230 CO 0.52 0.25 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.46 3iwi h GLU 231 N 0.10 0.27 -0.36 2.19 5.08 -1.94 -0.93 114.58 118.99 3iwi h GLU 231 Ca 0.02 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3iwi h GLU 231 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3iwi h GLU 231 CO 0.03 0.60 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.06 3iwi h ASP 232 N -0.07 0.62 0.01 1.42 5.19 -1.85 -1.68 116.42 120.06 3iwi h ASP 232 Ca 0.03 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.12 3iwi h ASP 232 Cb 0.52 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3iwi h ASP 232 CO 0.02 0.79 -0.43 0.24 -3.12 0.00 0.00 179.24 176.74 3iwi h MET 233 N 0.58 0.51 -0.73 3.56 2.86 -1.17 0.26 114.93 120.80 3iwi h MET 233 Ca 0.10 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3iwi h MET 233 Cb 0.57 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 3iwi h MET 233 CO 0.04 0.85 0.35 0.00 1.06 0.00 0.00 176.91 179.21 3iwi h ALA 234 N 1.12 0.94 -0.73 6.32 0.00 -0.89 -1.09 119.26 124.93 3iwi h ALA 234 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3iwi h ALA 234 Cb 0.92 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3iwi h ALA 234 CO 0.08 0.51 0.31 -0.09 0.00 0.00 0.00 179.25 180.06 3iwi h ARG 235 N 1.03 1.08 -0.47 0.00 2.43 -0.89 -0.55 114.38 116.99 3iwi h ARG 235 Ca 0.25 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3iwi h ARG 235 Cb 0.12 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3iwi h ARG 235 CO -0.03 0.86 0.31 2.35 -1.51 0.00 0.00 179.97 181.95 3iwi h TRP 236 N 1.06 0.58 -0.32 2.20 -0.00 -0.60 -0.39 115.95 118.48 3iwi h TRP 236 Ca 0.25 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.14 3iwi h TRP 236 Cb 0.18 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.13 3iwi h TRP 236 CO 0.02 0.36 0.16 0.28 -0.00 0.00 0.00 178.44 179.25 3iwi h VAL 237 N 0.62 1.16 -0.76 2.65 2.07 -0.82 -1.47 116.25 119.70 3iwi h VAL 237 Ca 0.18 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.36 3iwi h VAL 237 Cb -0.06 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 3iwi h VAL 237 CO -0.05 0.16 0.38 1.56 0.02 0.00 0.00 177.57 179.65 3iwi h GLN 238 N 0.39 0.59 -0.51 1.57 4.20 -0.73 0.87 115.11 121.50 3iwi h GLN 238 Ca 0.11 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3iwi h GLN 238 Cb 0.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3iwi h GLN 238 CO -0.01 0.39 0.02 0.77 -0.67 0.00 0.00 178.83 179.33 3iwi h SER 239 N 0.61 0.80 1.36 1.46 0.02 -0.77 -1.81 113.55 115.22 3iwi h SER 239 Ca 0.39 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 3iwi h SER 239 Cb 0.46 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3iwi h SER 239 CO -0.30 0.85 -0.44 0.78 -1.14 0.00 0.00 176.83 176.58 3iwi h ASN 240 N 0.78 0.00 0.08 3.07 2.35 -0.67 -2.90 115.58 118.30 3iwi h ASN 240 Ca 0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.71 3iwi h ASN 240 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3iwi h ASN 240 CO 0.02 0.44 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.43 3iwi h LEU 241 N 0.00 0.67 -6.05 1.61 3.38 -0.44 -3.39 115.31 111.10 3iwi h LEU 241 Ca -0.00 -0.43 -0.57 0.00 0.09 0.00 0.00 57.88 56.96 3iwi h LEU 241 Cb 1.23 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 41.38 3iwi h LEU 241 CO 0.06 1.19 -0.90 0.29 0.09 0.00 0.00 178.44 179.17 3iwi n LYS 242 N -3.89 1.50 -0.01 1.13 5.02 -0.72 -4.86 118.16 116.33 3iwi n LYS 242 Ca -0.05 -3.84 0.00 0.00 -2.02 0.00 0.00 58.31 52.40 3iwi n LYS 242 Cb 0.71 -1.67 0.30 0.00 -0.02 0.00 0.00 35.03 34.36 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 3.98 0.56 0.00 1.97 0.13 -1.71 -2.70 132.00 134.22 3iwi h PRO 243 Ca 0.12 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3iwi h PRO 243 Cb 0.79 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3iwi h PRO 243 CO 0.62 0.55 0.00 1.28 -0.23 0.00 0.00 178.00 180.22 3iwi n LEU 244 N -4.30 0.00 -0.05 1.56 4.77 -1.26 -1.21 117.00 116.50 3iwi n LEU 244 Ca 0.02 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.40 3iwi n LEU 244 Cb 0.22 -0.28 0.37 0.00 -2.33 0.00 0.00 43.42 41.40 3iwi n LEU 244 CO 0.39 -0.13 0.61 0.47 -1.33 0.00 0.00 177.39 177.40 3iwi n ASP 245 N -1.28 0.49 -4.72 -1.43 9.92 -1.02 -4.89 116.55 113.63 3iwi n ASP 245 Ca 0.08 -0.26 -0.41 0.00 -0.53 0.00 0.00 54.79 53.67 3iwi n ASP 245 Cb 0.13 0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.64 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 -2.87 4.22 0.15 0.53 1.01 -0.35 -4.96 121.20 118.93 3iwi s ILE 246 Ca 0.15 1.74 -0.06 0.00 0.00 0.00 0.00 60.65 62.49 3iwi s ILE 246 Cb 0.18 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.42 3iwi s ILE 246 CO 0.62 0.22 1.40 0.78 0.00 0.00 0.00 174.94 177.95 3iwi h ASN 247 N 5.99 0.68 -2.95 3.58 2.35 -1.90 -3.43 115.58 119.89 3iwi h ASN 247 Ca -0.43 -0.43 -0.57 0.00 -0.55 0.00 0.00 56.30 54.33 3iwi h ASN 247 Cb 1.21 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 3iwi h ASN 247 CO 0.75 1.19 1.05 -1.61 -1.65 0.00 0.00 177.43 177.17 3iwi s GLU 248 N -3.73 3.85 0.12 0.81 8.01 -1.26 -4.92 118.70 121.57 3iwi s GLU 248 Ca -0.08 1.45 -0.20 0.00 0.01 0.00 0.00 54.97 56.15 3iwi s GLU 248 Cb 0.10 -3.96 -0.07 0.00 -4.31 0.00 0.00 34.13 25.89 3iwi s GLU 248 CO 0.86 -1.22 1.74 0.87 0.01 0.00 0.00 175.26 177.53 3iwi h LYS 249 N 10.05 0.09 0.00 1.61 1.57 -2.00 -1.36 116.57 126.53 3iwi h LYS 249 Ca -0.30 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 3iwi h LYS 249 Cb 1.13 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3iwi h LYS 249 CO 1.02 0.06 -0.51 1.79 -0.57 0.00 0.00 179.45 181.24 3iwi h THR 250 N 0.10 1.30 -0.29 -0.16 1.35 -1.92 -2.32 112.91 110.97 3iwi h THR 250 Ca 0.07 -1.80 -0.13 0.00 -0.55 0.00 0.00 66.41 63.99 3iwi h THR 250 Cb 0.05 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3iwi h THR 250 CO -0.08 0.50 -0.34 0.25 -0.25 0.00 0.00 175.52 175.60 3iwi h LEU 251 N 0.00 0.80 -0.33 3.87 5.85 -1.81 0.83 115.31 124.52 3iwi h LEU 251 Ca -0.01 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.30 3iwi h LEU 251 Cb 0.95 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 3iwi h LEU 251 CO 0.07 1.12 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.53 3iwi h GLN 252 N 0.49 -0.09 -0.25 1.25 4.15 -1.14 -0.49 115.11 119.02 3iwi h GLN 252 Ca 0.04 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3iwi h GLN 252 Cb 0.92 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3iwi h GLN 252 CO 0.08 -0.06 0.16 1.96 -1.93 0.00 0.00 178.83 179.05 3iwi h GLN 253 N -0.09 0.33 -0.63 1.69 4.20 -1.31 -2.54 115.11 116.75 3iwi h GLN 253 Ca 0.17 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.93 3iwi h GLN 253 Cb 0.35 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 3iwi h GLN 253 CO -0.39 0.22 0.32 0.78 -0.67 0.00 0.00 178.83 179.08 3iwi h GLY 254 N 0.34 0.92 0.99 3.46 0.00 -0.32 0.14 103.07 108.59 3iwi h GLY 254 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3iwi h GLY 254 CO -0.03 0.09 0.21 -2.22 0.00 0.00 0.00 176.54 174.59 3iwi h ILE 255 N 0.57 1.08 -0.77 2.60 2.04 -0.98 -1.51 117.51 120.53 3iwi h ILE 255 Ca 0.30 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 66.02 3iwi h ILE 255 Cb 0.26 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3iwi h ILE 255 CO -0.22 0.08 0.51 1.56 0.00 0.00 0.00 178.15 180.07 3iwi h GLN 256 N 0.43 1.01 -0.70 2.37 4.20 -0.84 -2.62 115.11 118.96 3iwi h GLN 256 Ca 0.12 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3iwi h GLN 256 Cb -0.04 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 3iwi h GLN 256 CO -0.03 0.67 0.30 -0.07 -0.67 0.00 0.00 178.83 179.03 3iwi h LEU 257 N 1.04 0.93 -1.44 1.46 3.38 -0.58 -2.36 115.31 117.74 3iwi h LEU 257 Ca 0.28 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3iwi h LEU 257 Cb -0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3iwi h LEU 257 CO -0.06 0.82 -0.20 0.00 0.09 0.00 0.00 178.44 179.08 3iwi h ALA 258 N 1.32 1.13 -0.33 1.53 0.00 -0.93 -2.53 119.26 119.45 3iwi h ALA 258 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iwi h ALA 258 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iwi h ALA 258 CO -0.02 0.25 0.00 1.04 0.00 0.00 0.00 179.25 180.52 3iwi n GLN 259 N -3.53 2.25 -2.25 0.00 6.02 -0.98 -1.06 117.38 117.83 3iwi n GLN 259 Ca -0.01 -1.88 -0.35 0.00 -0.01 0.00 0.00 57.00 54.75 3iwi n GLN 259 Cb 0.36 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.48 5.73 -0.43 1.08 0.01 -0.93 -3.93 113.70 113.76 3iwi s SER 260 Ca 0.36 2.16 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 3iwi s SER 260 Cb 0.21 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.88 3iwi s SER 260 CO 0.29 -1.21 0.48 -0.13 0.41 0.00 0.00 173.24 173.09 3iwi s ARG 261 N -3.32 3.13 -0.15 12.44 0.52 -0.24 -3.99 118.95 127.34 3iwi s ARG 261 Ca 0.72 -0.67 0.09 0.00 -0.52 0.00 0.00 55.73 55.35 3iwi s ARG 261 Cb -0.23 -3.96 -0.23 0.00 0.52 0.00 0.00 34.95 31.04 3iwi s ARG 261 CO 0.27 -0.89 0.22 0.66 0.02 0.00 0.00 175.30 175.58 3iwi n TYR 262 N 5.75 0.50 -3.89 -0.53 4.01 -0.48 -2.43 117.16 120.09 3iwi n TYR 262 Ca -0.06 0.15 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 3iwi n TYR 262 Cb 0.47 -1.08 -0.10 0.00 -0.31 0.00 0.00 39.34 38.33 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 -2.54 0.10 -0.07 -0.72 0.52 -1.24 -1.72 118.94 113.28 3iwi s TRP 263 Ca -0.16 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 55.74 3iwi s TRP 263 Cb 0.07 -0.09 -0.01 0.00 -1.15 0.00 0.00 33.47 32.30 3iwi s TRP 263 CO 0.77 -0.31 -0.23 -1.14 0.02 0.00 0.00 176.95 176.06 3iwi s GLN 264 N -1.79 2.53 -0.21 4.98 0.74 -0.13 -1.27 119.66 124.50 3iwi s GLN 264 Ca -0.12 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.44 3iwi s GLN 264 Cb -0.06 -2.07 0.06 0.00 1.10 0.00 0.00 33.01 32.04 3iwi s GLN 264 CO -0.01 0.29 0.01 0.95 -0.55 0.00 0.00 175.29 175.99 3iwi s THR 265 N 0.03 0.80 0.00 -0.34 -4.23 0.00 -1.39 115.64 110.51 3iwi s THR 265 Ca -0.08 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3iwi s THR 265 Cb -0.15 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.44 3iwi s THR 265 CO 0.05 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3iwi n GLY 266 N 4.94 4.11 0.66 3.99 0.00 -1.26 -1.01 105.19 116.62 3iwi n GLY 266 Ca -0.10 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3iwi n GLY 266 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iwi n ASP 267 N 8.08 2.11 -4.86 1.61 8.00 -1.26 -4.95 116.55 125.29 3iwi n ASP 267 Ca 0.00 -1.66 -0.35 0.00 0.71 0.00 0.00 54.79 53.49 3iwi n ASP 267 Cb 0.00 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3iwi n ASP 267 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3iwi s MET 268 N -2.06 3.34 -0.07 -1.24 1.75 -0.18 -4.46 119.30 116.39 3iwi s MET 268 Ca 0.32 -0.28 0.05 0.00 -1.25 0.00 0.00 55.69 54.53 3iwi s MET 268 Cb 0.20 -3.07 -0.02 0.00 2.84 0.00 0.00 34.83 34.79 3iwi s MET 268 CO 0.35 0.72 -0.20 0.71 -0.65 0.00 0.00 175.02 175.94 3iwi s TYR 269 N -1.14 2.56 -0.21 4.11 2.02 1.00 -0.82 117.35 124.86 3iwi s TYR 269 Ca 0.20 -0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 56.19 3iwi s TYR 269 Cb -0.12 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 3iwi s TYR 269 CO 0.10 -0.10 0.40 -1.14 -1.57 0.00 0.00 175.55 173.25 3iwi s GLN 270 N -0.25 4.15 0.00 -0.62 2.00 -0.40 -0.84 119.66 123.70 3iwi s GLN 270 Ca -0.00 0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.55 3iwi s GLN 270 Cb -0.13 -3.56 0.00 0.00 0.80 0.00 0.00 33.01 30.12 3iwi s GLN 270 CO 0.03 -0.09 0.00 0.41 -0.50 0.00 0.00 175.29 175.14 3iwi n GLY 271 N 4.04 2.55 3.36 2.59 0.00 -0.29 -1.38 105.19 116.06 3iwi n GLY 271 Ca -0.08 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.51 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 5.70 0.00 0.99 1.43 -0.22 -4.62 118.68 121.96 3iwi s LEU 272 Ca 0.00 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 3iwi s LEU 272 Cb 0.00 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3iwi s LEU 272 CO 0.00 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.31 3iwi n GLY 273 N 5.24 1.99 3.74 -3.19 0.00 -1.26 -4.31 105.19 107.41 3iwi n GLY 273 Ca -0.12 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3iwi n GLY 273 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iwi s TRP 274 N 0.00 2.24 0.09 1.61 0.52 -1.26 -4.66 118.94 117.48 3iwi s TRP 274 Ca 0.00 1.43 0.09 0.00 0.02 0.00 0.00 56.10 57.65 3iwi s TRP 274 Cb 0.00 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.57 3iwi s TRP 274 CO 0.00 -2.79 -0.25 -1.21 0.02 0.00 0.00 176.95 172.72 3iwi s GLU 275 N -3.12 1.46 0.04 4.98 2.02 -0.91 -1.14 118.70 122.04 3iwi s GLU 275 Ca 0.76 -1.18 0.01 0.00 0.02 0.00 0.00 54.97 54.58 3iwi s GLU 275 Cb -0.38 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 3iwi s GLU 275 CO 0.43 0.43 -0.05 -1.64 0.02 0.00 0.00 175.26 174.45 3iwi s MET 276 N -1.66 0.51 0.10 1.61 -1.94 -0.02 -1.12 119.30 116.78 3iwi s MET 276 Ca 0.11 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.28 3iwi s MET 276 Cb -0.10 -0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.63 3iwi s MET 276 CO 0.04 -0.02 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.41 3iwi s LEU 277 N -1.93 2.39 0.31 -0.03 1.02 -0.14 -0.00 118.68 120.29 3iwi s LEU 277 Ca -0.07 -0.79 -0.29 0.00 0.02 0.00 0.00 54.13 53.00 3iwi s LEU 277 Cb -0.05 -0.41 -0.11 0.00 0.02 0.00 0.00 46.19 45.64 3iwi s LEU 277 CO -0.02 -0.20 1.48 -1.81 0.02 0.00 0.00 176.35 175.81 3iwi s ASP 278 N -2.36 6.51 -0.15 2.29 1.01 -1.26 -0.39 116.67 122.32 3iwi s ASP 278 Ca 0.06 2.85 -0.07 0.00 0.71 0.00 0.00 52.55 56.10 3iwi s ASP 278 Cb -0.04 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3iwi s ASP 278 CO 0.01 -0.78 0.10 0.86 0.21 0.00 0.00 175.17 175.57 3iwi s TRP 279 N -0.45 3.43 0.36 4.23 -0.11 -0.55 -3.49 118.94 122.36 3iwi s TRP 279 Ca 0.57 0.34 -0.26 0.00 1.22 0.00 0.00 56.10 57.98 3iwi s TRP 279 Cb -0.44 -2.01 -0.09 0.00 -1.50 0.00 0.00 33.47 29.42 3iwi s TRP 279 CO 0.51 0.47 1.04 -1.25 -4.62 0.00 0.00 176.95 173.10 3iwi s PRO 280 N -0.36 4.35 -0.12 5.86 0.04 -1.26 -4.70 135.00 138.82 3iwi s PRO 280 Ca 0.10 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3iwi s PRO 280 Cb -0.12 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3iwi s PRO 280 CO 0.01 0.02 0.10 0.14 0.04 0.00 0.00 177.00 177.31 3iwi s VAL 281 N -1.52 5.12 -0.04 -0.36 -7.23 -1.23 -5.06 120.40 110.08 3iwi s VAL 281 Ca 0.53 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.47 3iwi s VAL 281 Cb -0.24 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.43 3iwi s VAL 281 CO 0.30 0.60 1.63 0.21 -0.31 0.00 0.00 175.10 177.54 3iwi s ASN 282 N -0.88 6.68 0.42 4.85 3.84 -1.26 -4.92 114.94 123.67 3iwi s ASN 282 Ca 0.14 2.25 0.10 0.00 0.21 0.00 0.00 52.86 55.55 3iwi s ASN 282 Cb -0.12 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 38.98 3iwi s ASN 282 CO 0.03 -0.91 2.03 1.55 -2.79 0.00 0.00 177.10 177.01 3iwi h PRO 283 N 9.29 0.47 0.00 0.43 0.13 -2.02 0.05 132.00 140.36 3iwi h PRO 283 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3iwi h PRO 283 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3iwi h PRO 283 CO 0.95 0.31 0.00 -0.40 -0.23 0.00 0.00 178.00 178.63 3iwi n ASP 284 N -4.48 0.42 0.18 1.44 5.68 -1.26 -3.05 116.55 115.48 3iwi n ASP 284 Ca 0.06 0.56 0.07 0.00 -0.50 0.00 0.00 54.79 54.99 3iwi n ASP 284 Cb 0.19 -0.67 0.10 0.00 -1.14 0.00 0.00 41.12 39.60 3iwi n ASP 284 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3iwi h SER 285 N 0.00 0.00 0.00 -1.12 4.64 -1.37 -3.55 113.55 112.15 3iwi h SER 285 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3iwi h SER 285 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3iwi h SER 285 CO 0.00 0.24 0.66 -0.38 -0.87 0.00 0.00 176.83 176.48 3iwi n ILE 286 N -3.15 1.30 0.00 0.95 5.41 -1.17 -4.97 119.36 117.72 3iwi n ILE 286 Ca 0.03 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.09 3iwi n ILE 286 Cb 0.63 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 3iwi n ILE 286 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3iwi n ILE 294 N 3.23 0.00 -0.01 1.39 5.41 -1.26 -5.12 119.36 122.99 3iwi n ILE 294 Ca 0.20 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.91 3iwi n ILE 294 Cb 0.29 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.00 1.05 -2.88 -1.39 0.00 -2.09 -3.43 119.26 110.53 3iwi h ALA 295 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 3iwi h ALA 295 Cb 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 17.79 17.34 3iwi h ALA 295 CO 0.00 0.58 -0.52 -1.17 0.00 0.00 0.00 179.25 178.14 3iwi s LEU 296 N -8.74 -0.19 -0.30 0.00 0.20 -1.26 -5.05 118.68 103.34 3iwi s LEU 296 Ca -0.08 0.60 -0.00 0.00 0.69 0.00 0.00 54.13 55.34 3iwi s LEU 296 Cb 0.14 0.73 0.09 0.00 -0.43 0.00 0.00 46.19 46.72 3iwi s LEU 296 CO 0.80 -0.23 0.08 0.00 -0.29 0.00 0.00 176.35 176.71 3iwi s ALA 297 N 2.21 1.67 -0.15 5.97 0.00 -1.26 -5.11 121.76 125.09 3iwi s ALA 297 Ca -0.01 -1.66 -0.20 0.00 0.00 0.00 0.00 51.96 50.09 3iwi s ALA 297 Cb -0.12 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3iwi s ALA 297 CO -0.09 -1.59 0.57 0.00 0.00 0.00 0.00 175.76 174.65 3iwi s ALA 298 N 1.54 3.49 -0.05 0.00 0.00 -1.26 -4.57 121.76 120.91 3iwi s ALA 298 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3iwi s ALA 298 Cb -0.18 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3iwi s ALA 298 CO -0.20 -0.27 -0.10 1.03 0.00 0.00 0.00 175.76 176.22 3iwi s ARG 299 N 1.25 1.33 0.44 0.00 1.81 -0.72 -4.99 118.95 118.07 3iwi s ARG 299 Ca 0.28 -0.31 -0.25 0.00 -1.72 0.00 0.00 55.73 53.73 3iwi s ARG 299 Cb -0.16 -1.16 -0.08 0.00 -0.45 0.00 0.00 34.95 33.10 3iwi s ARG 299 CO 0.11 0.02 1.42 -2.14 -0.68 0.00 0.00 175.30 174.03 3iwi s PRO 300 N 0.64 3.74 0.03 3.54 0.02 -1.26 -0.35 135.00 141.35 3iwi s PRO 300 Ca -0.12 2.40 0.07 0.00 0.02 0.00 0.00 61.00 63.37 3iwi s PRO 300 Cb -0.14 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.66 3iwi s PRO 300 CO 0.02 -0.77 -0.19 0.14 -0.33 0.00 0.00 177.00 175.88 3iwi s VAL 301 N -1.20 2.74 -0.22 3.83 -7.23 -0.77 -4.69 120.40 112.86 3iwi s VAL 301 Ca 0.60 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 3iwi s VAL 301 Cb -0.43 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 3iwi s VAL 301 CO 0.56 0.37 0.20 -0.75 -0.31 0.00 0.00 175.10 175.17 3iwi s LYS 302 N -1.34 4.13 0.26 4.82 2.20 -0.49 -4.81 119.74 124.51 3iwi s LYS 302 Ca 0.14 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 3iwi s LYS 302 Cb -0.10 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 3iwi s LYS 302 CO 0.04 0.12 1.25 0.00 -0.36 0.00 0.00 175.35 176.40 3iwi s ALA 303 N 0.89 3.48 -0.46 3.13 0.00 -1.26 -0.95 121.76 126.58 3iwi s ALA 303 Ca 0.10 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 3iwi s ALA 303 Cb -0.13 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.61 3iwi s ALA 303 CO 0.03 -0.47 0.42 0.42 0.00 0.00 0.00 175.76 176.16 3iwi s ILE 304 N -0.61 5.17 -0.34 0.00 1.01 -0.70 -4.90 121.20 120.84 3iwi s ILE 304 Ca 0.51 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3iwi s ILE 304 Cb -0.36 -4.11 0.10 0.00 0.01 0.00 0.00 42.46 38.09 3iwi s ILE 304 CO 0.44 -0.55 0.04 -0.89 0.00 0.00 0.00 174.94 173.97 3iwi s THR 305 N 1.86 2.28 0.67 2.92 2.01 -1.26 -1.80 115.64 122.32 3iwi s THR 305 Ca 0.07 -2.30 -0.04 0.00 0.31 0.00 0.00 61.69 59.73 3iwi s THR 305 Cb -0.22 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.69 3iwi s THR 305 CO 0.09 -0.56 0.96 -2.16 -0.69 0.00 0.00 174.62 172.26 3iwi s PRO 306 N 0.92 2.21 0.40 4.92 0.04 -1.26 -5.10 135.00 137.13 3iwi s PRO 306 Ca 0.10 -0.45 -0.27 0.00 0.04 0.00 0.00 61.00 60.42 3iwi s PRO 306 Cb -0.19 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 3iwi s PRO 306 CO -0.08 -1.15 1.38 -2.30 0.04 0.00 0.00 177.00 174.89 3iwi n PRO 307 N -2.79 2.25 -2.52 0.56 -0.02 -0.74 -4.94 135.00 126.80 3iwi n PRO 307 Ca 0.09 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3iwi n PRO 307 Cb 0.60 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.16 4.41 0.78 3.45 2.01 -1.02 -4.84 115.64 119.28 3iwi s THR 308 Ca 0.58 1.71 -0.14 0.00 0.31 0.00 0.00 61.69 64.15 3iwi s THR 308 Cb -0.49 -4.10 0.06 0.00 0.01 0.00 0.00 72.50 67.97 3iwi s THR 308 CO 0.60 -0.06 1.11 -2.65 -0.69 0.00 0.00 174.62 172.93 3iwi n PRO 309 N 5.68 0.30 -1.33 4.92 -0.02 -1.26 -1.08 135.00 142.22 3iwi n PRO 309 Ca 0.11 0.17 -0.53 0.00 -2.02 0.00 0.00 63.50 61.23 3iwi n PRO 309 Cb 0.46 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 3iwi n PRO 309 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwi n ALA 310 N -3.03 -0.84 -2.60 3.55 0.00 -1.25 -4.75 120.51 111.59 3iwi n ALA 310 Ca 0.13 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 3iwi n ALA 310 Cb 0.50 -1.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 2.89 5.03 0.36 0.00 1.01 -1.26 -4.97 120.40 123.46 3iwi s VAL 311 Ca 0.87 0.71 0.04 0.00 0.00 0.00 0.00 61.98 63.60 3iwi s VAL 311 Cb -1.20 -3.89 0.27 0.00 0.00 0.00 0.00 36.38 31.56 3iwi s VAL 311 CO 0.63 -0.04 2.00 0.03 0.00 0.00 0.00 175.10 177.72 3iwi h ARG 312 N 8.18 0.78 -3.37 2.72 3.08 -1.97 -3.17 114.38 120.64 3iwi h ARG 312 Ca -0.28 -0.05 -0.69 0.00 0.07 0.00 0.00 59.98 59.03 3iwi h ARG 312 Cb 1.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3iwi h ARG 312 CO 0.74 0.51 3.51 0.00 -1.07 0.00 0.00 179.97 183.67 3iwi n ALA 313 N -2.45 6.76 -2.85 0.04 0.00 -1.26 -1.05 120.51 119.71 3iwi n ALA 313 Ca 0.08 -3.70 -0.14 0.00 0.00 0.00 0.00 53.44 49.68 3iwi n ALA 313 Cb 0.10 -3.41 -0.12 0.00 0.00 0.00 0.00 19.45 16.03 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 2.46 0.91 -0.39 0.00 0.01 -1.20 -1.48 113.70 114.01 3iwi s SER 314 Ca 0.60 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 3iwi s SER 314 Cb 0.16 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.43 3iwi s SER 314 CO -0.07 -0.18 0.55 0.86 0.41 0.00 0.00 173.24 174.80 3iwi s TRP 315 N -1.33 3.14 -0.15 2.43 -0.11 0.48 -4.01 118.94 119.38 3iwi s TRP 315 Ca -0.09 -0.01 -0.03 0.00 1.22 0.00 0.00 56.10 57.20 3iwi s TRP 315 Cb -0.10 -3.07 -0.02 0.00 -1.50 0.00 0.00 33.47 28.78 3iwi s TRP 315 CO 0.01 -0.69 -0.06 0.08 -4.62 0.00 0.00 176.95 171.67 3iwi s VAL 316 N 2.50 3.70 0.26 5.86 1.01 -0.11 -0.97 120.40 132.65 3iwi s VAL 316 Ca 0.19 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 3iwi s VAL 316 Cb -0.15 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3iwi s VAL 316 CO 0.15 0.50 0.58 -1.38 0.00 0.00 0.00 175.10 174.95 3iwi s HIS 317 N 0.40 0.11 -0.28 5.22 -0.00 -0.28 -0.44 115.29 120.02 3iwi s HIS 317 Ca -0.05 -0.51 -0.18 0.00 -0.00 0.00 0.00 55.06 54.32 3iwi s HIS 317 Cb -0.15 0.41 0.10 0.00 -0.00 0.00 0.00 32.58 32.95 3iwi s HIS 317 CO 0.03 -1.09 0.79 0.21 -0.00 0.00 0.00 174.74 174.69 3iwi s LYS 318 N -3.97 0.62 0.34 -0.38 2.47 -0.46 -2.14 119.74 116.22 3iwi s LYS 318 Ca 0.17 1.01 -0.00 0.00 -1.56 0.00 0.00 55.97 55.58 3iwi s LYS 318 Cb -0.03 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.47 3iwi s LYS 318 CO 0.08 -0.12 0.55 0.95 0.16 0.00 0.00 175.35 176.97 3iwi s THR 319 N 1.31 5.09 -0.06 3.43 -4.23 -1.26 -1.83 115.64 118.09 3iwi s THR 319 Ca -0.08 -0.38 -0.27 0.00 -1.18 0.00 0.00 61.69 59.79 3iwi s THR 319 Cb -0.05 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.01 3iwi s THR 319 CO -0.15 -0.53 0.60 -0.83 -0.54 0.00 0.00 174.62 173.16 3iwi s GLY 320 N -3.92 -0.48 -0.03 3.99 0.00 -0.67 -3.46 107.32 102.76 3iwi s GLY 320 Ca 0.41 1.16 -0.14 0.00 0.00 0.00 0.00 44.72 46.15 3iwi s GLY 320 CO 0.36 0.84 0.30 0.00 0.00 0.00 0.00 173.10 174.60 3iwi s ALA 321 N -1.07 -0.76 0.22 3.20 0.00 -1.26 -0.29 121.76 121.80 3iwi s ALA 321 Ca -0.10 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3iwi s ALA 321 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3iwi s ALA 321 CO 0.08 -0.24 0.02 0.25 0.00 0.00 0.00 175.76 175.87 3iwi n THR 322 N 1.48 0.00 -0.30 0.00 -2.24 -0.62 -4.23 114.28 108.38 3iwi n THR 322 Ca -0.21 -1.12 0.12 0.00 -2.27 0.00 0.00 64.05 60.58 3iwi n THR 322 Cb 0.56 0.28 0.29 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.63 1.46 -0.30 3.38 0.00 -1.97 -3.12 103.07 103.15 3iwi h GLY 323 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3iwi h GLY 323 CO 0.29 -0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3iwi n GLY 324 N -1.34 2.94 3.02 4.60 0.00 -1.26 -4.56 105.19 108.59 3iwi n GLY 324 Ca 0.21 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.00 0.45 -0.04 1.61 0.40 -1.18 -2.09 117.98 116.13 3iwi s PHE 325 Ca 0.05 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 3iwi s PHE 325 Cb 0.03 -0.29 0.03 0.00 0.51 0.00 0.00 43.02 43.30 3iwi s PHE 325 CO 0.04 -0.16 0.03 0.20 0.70 0.00 0.00 175.22 176.03 3iwi s GLY 326 N -1.62 0.26 0.19 4.36 0.00 -0.57 -1.58 107.32 108.35 3iwi s GLY 326 Ca -0.12 0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.82 3iwi s GLY 326 CO -0.01 1.02 -0.16 -0.56 0.00 0.00 0.00 173.10 173.38 3iwi s SER 327 N 1.65 2.65 -0.19 1.64 0.01 0.60 -1.69 113.70 118.37 3iwi s SER 327 Ca -0.01 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.12 3iwi s SER 327 Cb -0.13 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.00 3iwi s SER 327 CO -0.03 -0.10 0.51 -0.47 0.41 0.00 0.00 173.24 173.55 3iwi s TYR 328 N -2.55 -0.56 -0.02 2.43 5.04 -0.21 -1.66 117.35 119.82 3iwi s TYR 328 Ca 0.20 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 3iwi s TYR 328 Cb -0.03 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.47 3iwi s TYR 328 CO 0.07 -0.27 -0.08 0.08 -1.34 0.00 0.00 175.55 174.01 3iwi s VAL 329 N 0.28 0.68 -0.10 3.14 1.01 -0.76 -0.68 120.40 123.96 3iwi s VAL 329 Ca -0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3iwi s VAL 329 Cb -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.77 3iwi s VAL 329 CO 0.01 0.21 0.30 0.00 0.00 0.00 0.00 175.10 175.62 3iwi s ALA 330 N 0.13 -0.75 0.08 5.51 0.00 -0.76 -1.36 121.76 124.62 3iwi s ALA 330 Ca -0.02 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 3iwi s ALA 330 Cb -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3iwi s ALA 330 CO 0.00 -0.16 0.28 -0.59 0.00 0.00 0.00 175.76 175.29 3iwi s PHE 331 N -0.05 -0.02 -0.31 0.00 -0.71 0.41 -0.58 117.98 116.72 3iwi s PHE 331 Ca -0.02 -0.28 0.01 0.00 -1.04 0.00 0.00 56.93 55.61 3iwi s PHE 331 Cb -0.03 0.07 0.09 0.00 -1.21 0.00 0.00 43.02 41.95 3iwi s PHE 331 CO 0.01 -0.57 0.06 0.42 -1.34 0.00 0.00 175.22 173.81 3iwi s ILE 332 N -3.37 1.45 0.25 -4.49 1.01 0.17 -0.94 121.20 115.28 3iwi s ILE 332 Ca 0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 60.65 58.90 3iwi s ILE 332 Cb 0.02 -2.04 0.22 0.00 0.01 0.00 0.00 42.46 40.67 3iwi s ILE 332 CO -0.09 -0.58 1.85 -0.65 0.00 0.00 0.00 174.94 175.48 3iwi h PRO 333 N 7.90 0.96 -0.52 2.79 0.11 -1.69 -1.49 132.00 140.06 3iwi h PRO 333 Ca -0.11 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.06 3iwi h PRO 333 Cb 1.02 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 3iwi h PRO 333 CO 0.48 0.63 0.36 1.49 -0.21 0.00 0.00 178.00 180.75 3iwi h GLU 334 N 0.99 0.21 -0.05 1.05 4.81 -1.40 -2.25 114.58 117.94 3iwi h GLU 334 Ca 0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3iwi h GLU 334 Cb 0.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3iwi h GLU 334 CO -0.18 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 179.87 3iwi n LYS 335 N -4.45 2.12 -4.00 1.92 4.76 -0.60 -4.97 118.16 112.94 3iwi n LYS 335 Ca 0.09 -1.85 -0.30 0.00 -2.87 0.00 0.00 58.31 53.37 3iwi n LYS 335 Cb 0.44 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 1.26 -4.25 -4.72 1.97 -0.58 -0.85 -4.65 120.64 108.84 3iwi n GLU 336 Ca 0.13 0.49 -0.24 0.00 -0.42 0.00 0.00 57.16 57.12 3iwi n GLU 336 Cb 0.56 -5.14 -0.15 0.00 -0.57 0.00 0.00 31.44 26.13 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 -7.16 1.97 0.26 -4.62 2.96 -1.17 -2.78 118.68 108.14 3iwi s LEU 337 Ca 0.49 -0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 53.90 3iwi s LEU 337 Cb -0.26 -0.81 0.03 0.00 0.50 0.00 0.00 46.19 45.64 3iwi s LEU 337 CO 0.87 0.17 0.76 -0.83 -1.32 0.00 0.00 176.35 175.99 3iwi s GLY 338 N -0.19 -0.12 -0.06 7.98 0.00 -0.46 -0.65 107.32 113.81 3iwi s GLY 338 Ca 0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 3iwi s GLY 338 CO 0.00 -0.07 0.34 -1.50 0.00 0.00 0.00 173.10 171.87 3iwi s ILE 339 N -3.82 0.03 -0.06 0.90 2.07 0.25 -0.67 121.20 119.91 3iwi s ILE 339 Ca 0.11 -0.27 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3iwi s ILE 339 Cb -0.05 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 41.97 3iwi s ILE 339 CO 0.06 -0.15 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.10 3iwi s VAL 340 N -0.70 1.33 -0.19 4.00 1.01 -0.09 -1.82 120.40 123.94 3iwi s VAL 340 Ca -0.08 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3iwi s VAL 340 Cb -0.04 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.20 3iwi s VAL 340 CO 0.03 0.39 -0.11 -0.04 0.00 0.00 0.00 175.10 175.37 3iwi s MET 341 N 0.41 2.09 -0.12 2.72 -1.94 0.14 -1.44 119.30 121.17 3iwi s MET 341 Ca -0.11 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.13 3iwi s MET 341 Cb -0.14 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.36 3iwi s MET 341 CO 0.04 -0.38 -0.23 -0.51 -0.01 0.00 0.00 175.02 173.93 3iwi s LEU 342 N 1.42 2.10 0.03 -0.03 1.43 -0.07 -1.04 118.68 122.52 3iwi s LEU 342 Ca 0.00 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3iwi s LEU 342 Cb -0.15 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3iwi s LEU 342 CO -0.09 0.13 -0.06 0.00 0.23 0.00 0.00 176.35 176.56 3iwi s ALA 343 N 0.53 0.45 -0.71 4.21 0.00 -0.68 -0.70 121.76 124.86 3iwi s ALA 343 Ca -0.14 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 3iwi s ALA 343 Cb -0.17 0.04 0.43 0.00 0.00 0.00 0.00 23.12 23.42 3iwi s ALA 343 CO 0.05 -0.03 2.04 0.27 0.00 0.00 0.00 175.76 178.08 3iwi n ASN 344 N 1.71 7.68 -3.79 0.00 6.94 -1.07 -1.51 115.26 125.20 3iwi n ASN 344 Ca -0.22 -3.80 -0.13 0.00 -0.02 0.00 0.00 54.58 50.42 3iwi n ASN 344 Cb 0.55 -1.00 -0.11 0.00 -2.36 0.00 0.00 39.78 36.86 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 -3.89 0.35 -0.76 -3.83 2.20 -0.95 -1.74 119.74 111.13 3iwi s LYS 345 Ca 0.62 0.24 -0.23 0.00 -0.36 0.00 0.00 55.97 56.24 3iwi s LYS 345 Cb 0.49 0.16 0.07 0.00 -1.51 0.00 0.00 37.83 37.04 3iwi s LYS 345 CO -0.10 -0.05 1.12 1.21 -0.36 0.00 0.00 175.35 177.17 3iwi s ASN 346 N -0.12 6.26 0.27 1.43 2.47 -1.25 -2.16 114.94 121.84 3iwi s ASN 346 Ca -0.02 -1.04 0.09 0.00 0.42 0.00 0.00 52.86 52.31 3iwi s ASN 346 Cb -0.03 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 3iwi s ASN 346 CO 0.01 -1.51 0.04 -0.72 -3.72 0.00 0.00 177.10 171.20 3iwi s TYR 347 N 4.43 2.76 0.28 0.43 -0.85 -1.26 -4.96 117.35 118.18 3iwi s TYR 347 Ca 0.30 -0.22 -0.30 0.00 -0.52 0.00 0.00 57.07 56.32 3iwi s TYR 347 Cb -0.11 -1.27 -0.13 0.00 0.38 0.00 0.00 41.96 40.83 3iwi s TYR 347 CO 0.07 0.58 1.44 -2.30 -1.52 0.00 0.00 175.55 173.82 3iwi n PRO 348 N -0.96 2.26 -0.29 -3.49 -0.02 -1.26 -4.90 135.00 126.33 3iwi n PRO 348 Ca -0.06 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 3iwi n PRO 348 Cb 0.59 -2.49 0.27 0.00 -0.02 0.00 0.00 33.50 31.85 3iwi n PRO 348 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iwi h ASN 349 N 4.06 0.27 0.17 2.55 2.35 -1.99 -2.10 115.58 120.89 3iwi h ASN 349 Ca -0.46 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 3iwi h ASN 349 Cb 1.26 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.76 3iwi h ASN 349 CO 0.74 0.01 -0.14 -0.65 -1.65 0.00 0.00 177.43 175.74 3iwi h PRO 350 N 0.39 0.00 -0.50 0.81 0.11 -2.00 -1.32 132.00 129.49 3iwi h PRO 350 Ca 0.52 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.55 3iwi h PRO 350 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3iwi h PRO 350 CO -0.51 0.14 0.02 0.00 -0.21 0.00 0.00 178.00 177.44 3iwi h ALA 351 N 1.86 1.09 -0.13 -0.75 0.00 -1.75 -0.54 119.26 119.03 3iwi h ALA 351 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3iwi h ALA 351 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3iwi h ALA 351 CO 0.02 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.86 3iwi h ARG 352 N 0.77 0.23 -0.27 0.00 3.08 -1.22 -2.41 114.38 114.56 3iwi h ARG 352 Ca 0.15 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3iwi h ARG 352 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3iwi h ARG 352 CO 0.02 0.43 0.00 0.28 -1.07 0.00 0.00 179.97 179.63 3iwi h VAL 353 N -0.02 1.26 -0.36 2.04 2.07 -1.27 -0.87 116.25 119.11 3iwi h VAL 353 Ca 0.04 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.72 3iwi h VAL 353 Cb 0.32 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3iwi h VAL 353 CO 0.00 0.29 -0.18 0.44 0.02 0.00 0.00 177.57 178.14 3iwi h ASP 354 N 0.26 -0.61 -0.35 0.57 3.32 -1.13 -0.14 116.42 118.34 3iwi h ASP 354 Ca 0.08 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3iwi h ASP 354 Cb 0.42 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3iwi h ASP 354 CO 0.01 -0.21 0.11 0.00 -1.72 0.00 0.00 179.24 177.42 3iwi h ALA 355 N 1.13 0.46 -0.51 3.45 0.00 -1.22 -1.33 119.26 121.24 3iwi h ALA 355 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3iwi h ALA 355 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3iwi h ALA 355 CO -0.43 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.22 3iwi h ALA 356 N 0.95 0.65 -0.51 0.00 0.00 -0.94 -1.99 119.26 117.42 3iwi h ALA 356 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3iwi h ALA 356 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3iwi h ALA 356 CO -0.00 0.00 -0.04 2.35 0.00 0.00 0.00 179.25 181.56 3iwi h TRP 357 N 0.60 1.03 -0.62 0.00 7.01 -0.88 0.26 115.95 123.34 3iwi h TRP 357 Ca 0.21 -0.19 0.04 0.00 2.11 0.00 0.00 58.89 61.06 3iwi h TRP 357 Cb 0.03 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 26.78 3iwi h TRP 357 CO -0.07 0.96 0.35 0.37 -2.79 0.00 0.00 178.44 177.27 3iwi h GLN 358 N 0.80 0.65 0.18 2.65 5.75 -1.06 0.63 115.11 124.71 3iwi h GLN 358 Ca 0.14 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3iwi h GLN 358 Cb 0.58 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3iwi h GLN 358 CO 0.03 0.43 -0.08 0.82 -2.65 0.00 0.00 178.83 177.38 3iwi h ILE 359 N 0.67 0.94 -0.58 2.39 2.04 -1.11 -2.98 117.51 118.88 3iwi h ILE 359 Ca 0.27 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3iwi h ILE 359 Cb 0.12 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3iwi h ILE 359 CO -0.15 0.19 0.04 -0.07 0.00 0.00 0.00 178.15 178.16 3iwi h LEU 360 N -0.68 0.97 -1.08 1.44 3.38 -0.82 -2.87 115.31 115.65 3iwi h LEU 360 Ca -0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3iwi h LEU 360 Cb 0.49 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3iwi h LEU 360 CO 0.04 1.02 0.62 -1.13 0.09 0.00 0.00 178.44 179.08 3iwi h ASN 361 N 0.90 1.05 0.35 -0.43 -1.24 -0.97 -1.65 115.58 113.59 3iwi h ASN 361 Ca 0.17 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 3iwi h ASN 361 Cb 0.49 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 3iwi h ASN 361 CO 0.02 0.73 -0.22 0.00 -1.29 0.00 0.00 177.43 176.67 3iwi h ALA 362 N 1.43 1.40 -0.02 1.57 0.00 -1.35 -2.97 119.26 119.34 3iwi h ALA 362 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iwi h ALA 362 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3iwi h ALA 362 CO -0.10 0.28 -0.21 1.28 0.00 0.00 0.00 179.25 180.50 3iwi n LEU 363 N -3.94 2.23 -0.47 0.00 4.77 -0.69 -5.12 117.00 113.78 3iwi n LEU 363 Ca -0.02 -0.76 0.14 0.00 -0.03 0.00 0.00 56.01 55.34 3iwi n LEU 363 Cb 0.30 -0.01 0.53 0.00 -2.33 0.00 0.00 43.42 41.91 3iwi n LEU 363 CO 0.35 0.39 0.87 1.67 -1.33 0.00 0.00 177.39 179.34