#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwa s HIS 4 N 0.00 3.22 -0.08 2.13 3.76 -1.26 -0.43 115.29 122.63 3iwa s HIS 4 Ca 0.00 0.00 0.04 0.00 -0.15 0.00 0.00 55.06 54.95 3iwa s HIS 4 Cb 0.00 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 3iwa s HIS 4 CO 0.00 -0.02 -0.22 0.08 -0.85 0.00 0.00 174.74 173.73 3iwa s VAL 5 N 0.99 2.34 -0.12 -0.90 1.01 0.08 -0.43 120.40 123.37 3iwa s VAL 5 Ca 0.05 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3iwa s VAL 5 Cb -0.14 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3iwa s VAL 5 CO 0.03 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 3iwa s VAL 6 N -0.05 4.09 -0.15 2.92 1.01 -0.69 -1.30 120.40 126.23 3iwa s VAL 6 Ca -0.06 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3iwa s VAL 6 Cb -0.15 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3iwa s VAL 6 CO 0.05 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.80 3iwa s VAL 7 N -0.21 1.94 -0.31 2.92 1.01 0.37 -0.58 120.40 125.54 3iwa s VAL 7 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3iwa s VAL 7 Cb -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3iwa s VAL 7 CO 0.02 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.13 3iwa s ILE 8 N 1.01 4.14 0.00 2.22 1.01 0.35 -1.12 121.20 128.81 3iwa s ILE 8 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3iwa s ILE 8 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3iwa s ILE 8 CO -0.05 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.50 3iwa n GLY 9 N 4.90 3.16 3.12 6.18 0.00 0.50 -0.46 105.19 122.60 3iwa n GLY 9 Ca -0.14 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 3iwa n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwa s ALA 10 N -0.80 2.93 0.00 4.61 0.00 -1.26 -4.44 121.76 122.82 3iwa s ALA 10 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.79 3iwa s ALA 10 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3iwa s ALA 10 CO 0.00 -1.53 0.00 1.33 0.00 0.00 0.00 175.76 175.56 3iwa n VAL 11 N 4.53 0.00 -0.05 0.00 0.24 -1.26 -4.98 118.33 116.81 3iwa n VAL 11 Ca -0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.02 3iwa n VAL 11 Cb 0.42 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.66 3iwa n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iwa n ALA 12 N -3.00 0.97 -0.17 2.33 0.00 -1.26 -4.75 120.51 114.62 3iwa n ALA 12 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 3iwa n ALA 12 Cb 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 19.45 18.98 3iwa n ALA 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iwa h LEU 13 N -0.22 0.44 0.61 0.00 6.46 -1.94 -2.29 115.31 118.36 3iwa h LEU 13 Ca -0.45 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 3iwa h LEU 13 Cb 1.84 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.70 3iwa h LEU 13 CO -0.03 0.30 -0.41 1.23 -0.62 0.00 0.00 178.44 178.91 3iwa h GLY 14 N 0.56 -1.18 0.12 3.75 0.00 -1.86 -0.54 103.07 103.93 3iwa h GLY 14 Ca 0.22 0.50 0.18 0.00 0.00 0.00 0.00 47.33 48.22 3iwa h GLY 14 CO -0.13 -0.39 0.50 -2.55 0.00 0.00 0.00 176.54 173.98 3iwa h PRO 15 N -0.97 0.63 -0.09 4.80 0.11 -1.82 -1.50 132.00 133.16 3iwa h PRO 15 Ca -0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3iwa h PRO 15 Cb 0.79 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 3iwa h PRO 15 CO 0.05 0.42 0.03 -0.22 -0.21 0.00 0.00 178.00 178.07 3iwa h LYS 16 N 0.65 0.13 -0.89 1.05 1.63 -1.23 -0.62 116.57 117.29 3iwa h LYS 16 Ca 0.53 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.31 3iwa h LYS 16 Cb 0.82 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.39 3iwa h LYS 16 CO -0.40 0.25 0.58 0.00 -3.45 0.00 0.00 179.45 176.44 3iwa h ALA 17 N 0.87 1.13 -0.07 5.00 0.00 -0.42 -1.78 119.26 123.99 3iwa h ALA 17 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3iwa h ALA 17 Cb 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3iwa h ALA 17 CO -0.00 0.54 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 3iwa h ALA 18 N 1.32 0.13 -0.84 0.00 0.00 -1.15 -0.04 119.26 118.68 3iwa h ALA 18 Ca 0.33 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3iwa h ALA 18 Cb -0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3iwa h ALA 18 CO -0.07 0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.69 3iwa h ARG 20 N 1.21 0.88 -0.14 0.00 9.65 -1.28 -1.77 114.38 122.93 3iwa h ARG 20 Ca 0.29 -0.28 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 3iwa h ARG 20 Cb 0.14 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 3iwa h ARG 20 CO -0.03 0.91 -0.19 0.35 2.80 0.00 0.00 179.97 183.81 3iwa h PHE 21 N 0.74 -0.49 -0.83 2.20 3.57 -0.51 -2.79 116.94 118.82 3iwa h PHE 21 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3iwa h PHE 21 Cb 0.51 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3iwa h PHE 21 CO 0.04 -0.27 0.39 0.87 -2.23 0.00 0.00 178.31 177.11 3iwa h LYS 22 N -0.24 1.20 -0.85 1.11 1.79 -0.95 0.13 116.57 118.77 3iwa h LYS 22 Ca 0.10 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3iwa h LYS 22 Cb 0.38 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 3iwa h LYS 22 CO -0.28 0.92 0.54 0.00 -1.08 0.00 0.00 179.45 179.56 3iwa h ARG 23 N 1.18 1.03 0.11 3.15 2.47 -1.11 -2.59 114.38 118.61 3iwa h ARG 23 Ca 0.28 -0.06 -0.27 0.00 -1.26 0.00 0.00 59.98 58.68 3iwa h ARG 23 Cb 0.13 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3iwa h ARG 23 CO -0.03 0.68 -1.18 -0.07 0.56 0.00 0.00 179.97 179.92 3iwa h LEU 24 N 1.06 0.48 -6.51 3.04 3.38 -1.17 -3.40 115.31 112.18 3iwa h LEU 24 Ca 0.34 -0.47 -0.60 0.00 0.09 0.00 0.00 57.88 57.24 3iwa h LEU 24 Cb 0.01 -0.15 -0.40 0.00 0.09 0.00 0.00 40.66 40.21 3iwa h LEU 24 CO -0.12 1.34 -0.80 0.47 0.09 0.00 0.00 178.44 179.43 3iwa n ASP 25 N -3.60 1.50 0.12 -0.43 8.00 0.41 -4.97 116.55 117.59 3iwa n ASP 25 Ca -0.08 -2.88 0.11 0.00 0.71 0.00 0.00 54.79 52.64 3iwa n ASP 25 Cb 0.98 -0.65 0.48 0.00 -0.02 0.00 0.00 41.12 41.90 3iwa n ASP 25 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3iwa n PRO 26 N 1.98 0.18 0.04 -0.24 -0.02 -0.99 -2.26 135.00 133.68 3iwa n PRO 26 Ca 0.25 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3iwa n PRO 26 Cb 0.43 -1.84 0.40 0.00 -0.02 0.00 0.00 33.50 32.47 3iwa n PRO 26 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3iwa n GLU 27 N -2.18 0.12 -2.14 -0.52 0.00 -1.26 -4.89 120.64 109.77 3iwa n GLU 27 Ca 0.02 0.07 -0.28 0.00 0.00 0.00 0.00 57.16 56.98 3iwa n GLU 27 Cb 0.22 -1.61 0.05 0.00 0.00 0.00 0.00 31.44 30.10 3iwa n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3iwa s ALA 28 N -3.06 3.06 0.03 -1.84 0.00 -0.96 -4.79 121.76 114.20 3iwa s ALA 28 Ca 0.11 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.49 3iwa s ALA 28 Cb 0.16 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 3iwa s ALA 28 CO 0.62 -1.15 -0.21 -1.01 0.00 0.00 0.00 175.76 174.01 3iwa s HIS 29 N -3.24 2.48 -0.03 0.00 3.76 0.42 -5.00 115.29 113.68 3iwa s HIS 29 Ca 0.58 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 3iwa s HIS 29 Cb -0.11 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.12 3iwa s HIS 29 CO 0.47 0.18 -0.10 0.08 -0.85 0.00 0.00 174.74 174.52 3iwa s VAL 30 N -0.84 0.86 -0.11 -0.90 1.01 -1.26 -0.74 120.40 118.43 3iwa s VAL 30 Ca 0.13 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3iwa s VAL 30 Cb -0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 3iwa s VAL 30 CO 0.03 0.27 -0.23 -0.89 0.00 0.00 0.00 175.10 174.28 3iwa s THR 31 N 0.20 2.17 -0.10 3.92 2.01 -0.42 -0.85 115.64 122.57 3iwa s THR 31 Ca -0.04 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.00 3iwa s THR 31 Cb -0.09 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 3iwa s THR 31 CO 0.01 0.56 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.32 3iwa s MET 32 N 0.37 3.04 -0.07 4.92 -1.94 0.19 -0.48 119.30 125.33 3iwa s MET 32 Ca -0.17 -0.69 0.04 0.00 -1.71 0.00 0.00 55.69 53.16 3iwa s MET 32 Cb -0.18 -2.53 -0.01 0.00 2.01 0.00 0.00 34.83 34.12 3iwa s MET 32 CO 0.08 0.38 -0.20 0.42 -0.01 0.00 0.00 175.02 175.68 3iwa s ILE 33 N -0.08 2.47 -0.95 2.53 1.01 -0.28 -0.75 121.20 125.16 3iwa s ILE 33 Ca -0.02 -0.91 0.28 0.00 0.00 0.00 0.00 60.65 60.00 3iwa s ILE 33 Cb -0.14 -1.95 0.25 0.00 0.01 0.00 0.00 42.46 40.63 3iwa s ILE 33 CO 0.04 0.57 1.90 -0.90 0.00 0.00 0.00 174.94 176.54 3iwa n ASP 34 N 2.95 0.17 -3.85 3.58 5.75 -0.96 -0.37 116.55 123.82 3iwa n ASP 34 Ca -0.18 0.51 -0.26 0.00 -0.01 0.00 0.00 54.79 54.85 3iwa n ASP 34 Cb 0.52 -0.56 0.02 0.00 -1.03 0.00 0.00 41.12 40.08 3iwa n ASP 34 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3iwa n GLN 35 N -1.65 -4.95 0.29 0.11 -0.06 -0.31 -4.10 117.38 106.71 3iwa n GLN 35 Ca 0.07 0.58 0.18 0.00 -2.00 0.00 0.00 57.00 55.82 3iwa n GLN 35 Cb 0.36 -5.25 0.89 0.00 -4.06 0.00 0.00 30.24 22.18 3iwa n GLN 35 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3iwa h ALA 36 N 0.91 1.11 0.00 1.69 0.00 -1.89 -3.48 119.26 117.61 3iwa h ALA 36 Ca -0.60 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3iwa h ALA 36 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3iwa h ALA 36 CO 0.63 0.05 0.00 0.28 0.00 0.00 0.00 179.25 180.21 3iwa n VAL 80 N -3.29 0.00 -2.53 0.00 0.31 -1.26 -4.78 118.33 106.77 3iwa n VAL 80 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 3iwa n VAL 80 Cb 0.20 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.10 3iwa n VAL 80 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iwa s GLU 81 N 0.00 3.42 -0.39 5.55 2.12 -0.03 -4.96 118.70 124.41 3iwa s GLU 81 Ca 0.00 0.22 -0.09 0.00 0.36 0.00 0.00 54.97 55.45 3iwa s GLU 81 Cb 0.00 -4.06 0.05 0.00 0.26 0.00 0.00 34.13 30.38 3iwa s GLU 81 CO 0.00 -1.81 0.21 0.00 -0.54 0.00 0.00 175.26 173.12 3iwa s ALA 82 N 5.32 3.24 -0.42 6.30 0.00 -1.26 -0.64 121.76 134.31 3iwa s ALA 82 Ca 0.44 -1.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 3iwa s ALA 82 Cb -0.08 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.49 3iwa s ALA 82 CO 0.24 -1.51 0.36 -0.51 0.00 0.00 0.00 175.76 174.34 3iwa s LEU 83 N 1.47 5.04 0.63 0.00 1.43 0.07 -4.99 118.68 122.33 3iwa s LEU 83 Ca 0.02 -0.84 -0.03 0.00 -1.03 0.00 0.00 54.13 52.25 3iwa s LEU 83 Cb -0.21 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.81 3iwa s LEU 83 CO 0.04 -0.51 0.91 0.68 0.23 0.00 0.00 176.35 177.70 3iwa s VAL 84 N 1.86 2.51 -1.66 -1.59 -7.23 -1.26 -2.26 120.40 110.76 3iwa s VAL 84 Ca 0.08 -0.42 -0.13 0.00 -1.81 0.00 0.00 61.98 59.70 3iwa s VAL 84 Cb -0.18 -3.03 0.13 0.00 0.56 0.00 0.00 36.38 33.86 3iwa s VAL 84 CO 0.11 -0.02 0.33 -0.62 -0.31 0.00 0.00 175.10 174.58 3iwa n GLU 85 N -2.67 -0.82 -4.62 4.82 1.02 -1.26 -4.89 120.64 112.23 3iwa n GLU 85 Ca 0.08 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 57.10 3iwa n GLU 85 Cb 0.60 -4.04 -0.15 0.00 -0.02 0.00 0.00 31.44 27.83 3iwa n GLU 85 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iwa s THR 86 N -3.66 1.10 -0.05 2.62 2.01 -1.26 -1.37 115.64 115.03 3iwa s THR 86 Ca 0.46 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.96 3iwa s THR 86 Cb -0.27 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3iwa s THR 86 CO 0.97 0.32 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.86 3iwa s ARG 87 N -0.09 2.48 0.12 4.92 0.52 -0.39 -1.16 118.95 125.36 3iwa s ARG 87 Ca 0.01 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 3iwa s ARG 87 Cb -0.08 -2.18 -0.06 0.00 0.52 0.00 0.00 34.95 33.15 3iwa s ARG 87 CO 0.00 0.44 1.05 0.00 0.02 0.00 0.00 175.30 176.82 3iwa s ALA 88 N -0.31 3.31 -0.23 2.13 0.00 -1.26 -0.69 121.76 124.71 3iwa s ALA 88 Ca 0.01 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.72 3iwa s ALA 88 Cb -0.13 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 3iwa s ALA 88 CO 0.02 -0.17 -0.15 1.58 0.00 0.00 0.00 175.76 177.04 3iwa n HIS 89 N 2.84 0.00 -3.54 0.00 -0.00 0.98 -4.94 115.22 110.56 3iwa n HIS 89 Ca 0.04 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.06 3iwa n HIS 89 Cb 0.48 -0.91 -0.05 0.00 -0.12 0.00 0.00 29.99 29.38 3iwa n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3iwa s ALA 90 N -2.47 -1.51 -0.14 1.57 0.00 -1.23 -4.98 121.76 112.99 3iwa s ALA 90 Ca -0.27 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3iwa s ALA 90 Cb 0.08 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 3iwa s ALA 90 CO 0.59 -0.47 -0.14 0.42 0.00 0.00 0.00 175.76 176.16 3iwa s ILE 91 N -2.05 2.89 -0.40 0.00 1.01 -1.26 -2.14 121.20 119.25 3iwa s ILE 91 Ca -0.07 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 3iwa s ILE 91 Cb -0.01 -2.22 0.08 0.00 0.01 0.00 0.00 42.46 40.32 3iwa s ILE 91 CO 0.02 0.52 0.21 -0.62 0.00 0.00 0.00 174.94 175.06 3iwa s ASP 92 N 0.54 5.45 0.05 3.58 -1.08 0.04 -4.68 116.67 120.57 3iwa s ASP 92 Ca -0.09 -1.55 -0.21 0.00 -0.52 0.00 0.00 52.55 50.19 3iwa s ASP 92 Cb -0.16 -1.91 -0.13 0.00 -1.46 0.00 0.00 42.92 39.26 3iwa s ASP 92 CO 0.04 -0.49 1.42 0.03 0.52 0.00 0.00 175.17 176.69 3iwa h ARG 93 N 8.27 0.31 -0.53 4.34 3.08 -1.88 0.32 114.38 128.29 3iwa h ARG 93 Ca -0.21 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3iwa h ARG 93 Cb 1.07 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3iwa h ARG 93 CO 0.71 0.60 0.35 0.00 -1.07 0.00 0.00 179.97 180.56 3iwa h ALA 94 N 0.70 0.67 0.00 0.04 0.00 -1.97 -2.77 119.26 115.93 3iwa h ALA 94 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwa h ALA 94 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iwa h ALA 94 CO 0.02 0.11 -0.09 0.00 0.00 0.00 0.00 179.25 179.29 3iwa n ALA 95 N -2.24 2.56 -3.65 0.00 0.00 -1.21 -4.97 120.51 110.99 3iwa n ALA 95 Ca 0.03 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 3iwa n ALA 95 Cb 0.02 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.10 3iwa n ALA 95 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3iwa n HIS 96 N -1.50 -1.96 -4.12 0.00 -0.00 0.03 -4.88 115.22 102.77 3iwa n HIS 96 Ca 0.07 0.67 -0.15 0.00 -0.00 0.00 0.00 57.72 58.31 3iwa n HIS 96 Cb 0.34 -3.90 -0.12 0.00 -0.00 0.00 0.00 29.99 26.31 3iwa n HIS 96 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3iwa s THR 97 N -3.58 0.65 -0.12 1.59 -4.23 -0.74 -1.38 115.64 107.83 3iwa s THR 97 Ca 0.26 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 3iwa s THR 97 Cb -0.08 -0.67 0.02 0.00 1.34 0.00 0.00 72.50 73.11 3iwa s THR 97 CO 0.83 -0.24 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.84 3iwa s VAL 98 N -1.10 1.46 -0.09 2.29 1.01 -0.30 -0.78 120.40 122.89 3iwa s VAL 98 Ca -0.06 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 3iwa s VAL 98 Cb -0.08 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3iwa s VAL 98 CO 0.01 0.44 0.75 -1.61 0.00 0.00 0.00 175.10 174.68 3iwa s GLU 99 N 1.26 4.40 0.21 2.72 2.02 -0.91 -0.74 118.70 127.65 3iwa s GLU 99 Ca -0.01 0.93 0.10 0.00 0.02 0.00 0.00 54.97 56.02 3iwa s GLU 99 Cb -0.14 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.56 3iwa s GLU 99 CO -0.06 -0.05 -0.20 0.96 0.02 0.00 0.00 175.26 175.93 3iwa s ILE 100 N 1.16 2.18 -0.04 -1.63 -4.36 0.20 -0.02 121.20 118.70 3iwa s ILE 100 Ca 0.38 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 3iwa s ILE 100 Cb -0.18 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.48 3iwa s ILE 100 CO 0.17 -0.29 0.03 -1.83 0.24 0.00 0.00 174.94 173.27 3iwa s GLU 101 N -3.01 0.13 0.05 0.37 -1.05 0.13 -0.88 118.70 114.43 3iwa s GLU 101 Ca 0.22 0.25 -0.31 0.00 -0.15 0.00 0.00 54.97 54.98 3iwa s GLU 101 Cb -0.06 -0.56 -0.08 0.00 -0.44 0.00 0.00 34.13 32.99 3iwa s GLU 101 CO 0.10 -0.27 1.62 1.21 0.95 0.00 0.00 175.26 178.87 3iwa s ASN 102 N 1.78 6.64 0.28 0.83 3.84 -0.83 -1.26 114.94 126.22 3iwa s ASN 102 Ca 0.00 2.41 0.25 0.00 0.21 0.00 0.00 52.86 55.74 3iwa s ASN 102 Cb -0.12 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.69 3iwa s ASN 102 CO -0.03 -0.86 1.73 -0.07 -2.79 0.00 0.00 177.10 175.07 3iwa h LEU 103 N 8.67 0.00 0.00 3.21 3.38 -1.56 -0.65 115.31 128.35 3iwa h LEU 103 Ca -0.42 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 3iwa h LEU 103 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3iwa h LEU 103 CO 0.93 0.00 -1.00 0.03 0.09 0.00 0.00 178.44 178.48 3iwa h ARG 104 N 0.00 0.00 0.00 1.13 3.08 -1.92 -3.40 114.38 113.27 3iwa h ARG 104 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3iwa h ARG 104 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3iwa h ARG 104 CO 0.00 0.75 -1.23 0.25 -1.07 0.00 0.00 179.97 178.67 3iwa n THR 105 N -4.49 0.86 -0.33 2.04 -2.24 -1.25 -4.98 114.28 103.88 3iwa n THR 105 Ca -0.25 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3iwa n THR 105 Cb 0.56 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3iwa n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iwa n GLY 106 N 1.28 2.15 3.68 3.38 0.00 -0.25 -4.99 105.19 110.44 3iwa n GLY 106 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 3iwa n GLY 106 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iwa n GLU 107 N -2.00 2.32 -4.41 1.61 -0.00 -1.26 -4.70 120.64 112.20 3iwa n GLU 107 Ca 0.00 0.84 -0.34 0.00 -0.00 0.00 0.00 57.16 57.66 3iwa n GLU 107 Cb 0.00 -2.66 -0.10 0.00 -0.00 0.00 0.00 31.44 28.68 3iwa n GLU 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3iwa s ARG 108 N 2.07 2.90 0.03 3.44 0.52 -1.26 -1.96 118.95 124.68 3iwa s ARG 108 Ca 0.83 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3iwa s ARG 108 Cb -0.63 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3iwa s ARG 108 CO 0.41 0.68 -0.00 0.50 0.02 0.00 0.00 175.30 176.91 3iwa s ARG 109 N -0.98 0.40 -0.31 3.54 3.52 -0.06 -4.99 118.95 120.07 3iwa s ARG 109 Ca 0.14 -0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 3iwa s ARG 109 Cb -0.11 0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.49 3iwa s ARG 109 CO 0.03 -0.08 0.01 0.99 -0.81 0.00 0.00 175.30 175.45 3iwa s THR 110 N -1.97 2.81 0.20 4.11 2.01 -1.26 0.58 115.64 122.12 3iwa s THR 110 Ca -0.11 -1.63 -0.18 0.00 0.31 0.00 0.00 61.69 60.08 3iwa s THR 110 Cb -0.06 -2.71 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 3iwa s THR 110 CO -0.03 -0.23 0.68 -0.76 -0.69 0.00 0.00 174.62 173.59 3iwa s LEU 111 N 1.17 4.34 0.02 4.42 1.43 0.08 -4.92 118.68 125.22 3iwa s LEU 111 Ca -0.02 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 3iwa s LEU 111 Cb -0.20 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3iwa s LEU 111 CO -0.03 0.05 0.02 -0.75 0.23 0.00 0.00 176.35 175.88 3iwa s LYS 112 N -1.96 2.81 0.03 1.70 2.36 -1.26 -1.15 119.74 122.26 3iwa s LYS 112 Ca 0.41 -0.64 0.01 0.00 -2.55 0.00 0.00 55.97 53.21 3iwa s LYS 112 Cb -0.16 -2.69 -0.02 0.00 -1.05 0.00 0.00 37.83 33.91 3iwa s LYS 112 CO 0.20 0.61 -0.05 1.52 1.55 0.00 0.00 175.35 179.18 3iwa s TYR 113 N -1.18 0.44 -0.11 4.03 -0.85 -0.48 -4.85 117.35 114.36 3iwa s TYR 113 Ca 0.22 -0.49 -0.01 0.00 -0.52 0.00 0.00 57.07 56.27 3iwa s TYR 113 Cb -0.12 -0.28 -0.25 0.00 0.38 0.00 0.00 41.96 41.69 3iwa s TYR 113 CO 0.14 -0.13 0.42 -0.25 -1.52 0.00 0.00 175.55 174.20 3iwa n ASP 114 N 1.62 1.79 -3.89 -0.18 8.00 0.43 -4.78 116.55 119.53 3iwa n ASP 114 Ca -0.23 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 3iwa n ASP 114 Cb 0.55 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 3iwa n ASP 114 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iwa s LYS 115 N -2.57 0.18 0.00 -1.24 -0.14 -1.12 -4.90 119.74 109.97 3iwa s LYS 115 Ca -0.18 -0.20 0.08 0.00 -1.36 0.00 0.00 55.97 54.31 3iwa s LYS 115 Cb 0.07 0.07 -0.02 0.00 -1.68 0.00 0.00 37.83 36.27 3iwa s LYS 115 CO 0.78 -0.03 -0.25 -1.17 -0.76 0.00 0.00 175.35 173.91 3iwa s LEU 116 N -0.60 2.14 -0.16 3.17 2.96 -0.29 -1.70 118.68 124.19 3iwa s LEU 116 Ca -0.07 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3iwa s LEU 116 Cb -0.04 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.32 3iwa s LEU 116 CO -0.00 0.30 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.46 3iwa s VAL 117 N -0.69 2.39 -0.47 1.68 1.01 0.26 -0.71 120.40 123.88 3iwa s VAL 117 Ca 0.11 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3iwa s VAL 117 Cb -0.10 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.33 3iwa s VAL 117 CO 0.00 0.52 0.52 -0.76 0.00 0.00 0.00 175.10 175.39 3iwa s LEU 118 N 0.97 5.01 -0.68 3.92 1.43 0.21 -0.50 118.68 129.05 3iwa s LEU 118 Ca -0.03 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 3iwa s LEU 118 Cb -0.15 -2.40 0.29 0.00 0.03 0.00 0.00 46.19 43.96 3iwa s LEU 118 CO -0.04 -0.73 0.94 0.00 0.23 0.00 0.00 176.35 176.75 3iwa n ALA 119 N 5.81 4.50 0.93 4.21 0.00 0.39 -2.95 120.51 133.41 3iwa n ALA 119 Ca -0.07 -4.75 0.13 0.00 0.00 0.00 0.00 53.44 48.74 3iwa n ALA 119 Cb 0.46 -1.03 0.38 0.00 0.00 0.00 0.00 19.45 19.26 3iwa n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iwa n LEU 120 N 0.45 0.36 0.00 0.00 4.77 -1.25 -4.15 117.00 117.17 3iwa n LEU 120 Ca 0.31 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3iwa n LEU 120 Cb 0.39 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3iwa n LEU 120 CO 0.42 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3iwa n GLY 121 N 1.47 0.00 3.43 -0.72 0.00 -1.26 -4.57 105.19 103.54 3iwa n GLY 121 Ca 0.06 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 3iwa n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwa s SER 122 N -4.00 2.25 0.04 1.61 1.04 -1.26 -1.43 113.70 111.95 3iwa s SER 122 Ca 0.00 -1.60 0.06 0.00 0.48 0.00 0.00 55.95 54.89 3iwa s SER 122 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3iwa s SER 122 CO 0.00 -0.88 -0.16 -1.59 0.98 0.00 0.00 173.24 171.59 3iwa s LYS 123 N -3.76 1.10 0.23 4.02 -2.85 0.37 -4.68 119.74 114.16 3iwa s LYS 123 Ca 0.30 -0.81 -0.31 0.00 -1.00 0.00 0.00 55.97 54.15 3iwa s LYS 123 Cb 0.04 -1.15 -0.11 0.00 -2.06 0.00 0.00 37.83 34.56 3iwa s LYS 123 CO 0.16 0.29 1.57 0.00 0.10 0.00 0.00 175.35 177.47 3iwa s ALA 124 N -0.81 3.76 0.15 0.59 0.00 -1.26 -0.61 121.76 123.58 3iwa s ALA 124 Ca 0.04 1.44 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 3iwa s ALA 124 Cb -0.08 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 3iwa s ALA 124 CO 0.01 -0.84 1.45 -0.80 0.00 0.00 0.00 175.76 175.58 3iwa s ASN 125 N 0.78 6.73 -0.18 0.00 0.01 0.77 -4.82 114.94 118.23 3iwa s ASN 125 Ca 0.66 2.46 0.01 0.00 -0.71 0.00 0.00 52.86 55.29 3iwa s ASN 125 Cb -0.45 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.64 3iwa s ASN 125 CO 0.39 -0.71 -0.18 -0.60 -1.51 0.00 0.00 177.10 174.49 3iwa s ARG 126 N 0.87 2.76 0.32 -0.60 3.52 -1.26 -4.70 118.95 119.86 3iwa s ARG 126 Ca 0.65 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 55.13 3iwa s ARG 126 Cb -0.40 -2.51 -0.12 0.00 -1.56 0.00 0.00 34.95 30.36 3iwa s ARG 126 CO 0.32 -0.26 1.43 -2.30 -0.81 0.00 0.00 175.30 173.68 3iwa n PRO 127 N 4.63 2.38 -1.50 5.12 -0.02 -1.26 -4.85 135.00 139.49 3iwa n PRO 127 Ca -0.19 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3iwa n PRO 127 Cb 0.49 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3iwa n PRO 127 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iwa n PRO 128 N 1.13 2.73 -4.27 0.52 -0.04 -1.26 -4.83 135.00 128.98 3iwa n PRO 128 Ca 0.06 -2.34 -0.15 0.00 -0.04 0.00 0.00 63.50 61.03 3iwa n PRO 128 Cb 0.36 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.63 3iwa n PRO 128 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iwa s VAL 129 N 3.33 1.32 0.28 0.52 -7.23 -1.26 -5.13 120.40 112.23 3iwa s VAL 129 Ca 0.52 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 3iwa s VAL 129 Cb 0.15 -1.88 -0.10 0.00 0.56 0.00 0.00 36.38 35.11 3iwa s VAL 129 CO -0.05 -0.69 1.22 -0.70 -0.31 0.00 0.00 175.10 174.57 3iwa s GLU 130 N -3.66 4.47 0.00 4.82 2.12 -1.26 -3.59 118.70 121.60 3iwa s GLU 130 Ca 0.18 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.53 3iwa s GLU 130 Cb 0.01 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.26 3iwa s GLU 130 CO 0.02 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 3iwa n GLY 131 N 1.26 0.75 0.04 -1.50 0.00 -1.26 -1.40 105.19 103.07 3iwa n GLY 131 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3iwa n GLY 131 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iwa n MET 132 N -2.25 0.63 -0.04 1.61 2.81 -1.24 -2.41 117.12 116.24 3iwa n MET 132 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.92 3iwa n MET 132 Cb 0.00 -1.02 0.05 0.00 -0.71 0.00 0.00 33.22 31.54 3iwa n MET 132 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3iwa n ASP 133 N -0.45 1.91 -4.82 7.83 3.85 -1.26 -5.03 116.55 118.58 3iwa n ASP 133 Ca 0.00 -1.52 -0.33 0.00 -0.71 0.00 0.00 54.79 52.23 3iwa n ASP 133 Cb 0.01 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 39.71 3iwa n ASP 133 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3iwa s LEU 134 N -0.72 3.66 0.44 -2.12 1.43 -1.01 -5.01 118.68 115.35 3iwa s LEU 134 Ca 0.10 1.72 -0.24 0.00 -1.03 0.00 0.00 54.13 54.68 3iwa s LEU 134 Cb 0.06 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.68 3iwa s LEU 134 CO 0.09 -0.78 1.23 0.00 0.23 0.00 0.00 176.35 177.12 3iwa s ALA 135 N -2.41 3.07 0.00 4.21 0.00 -0.32 -3.10 121.76 123.22 3iwa s ALA 135 Ca 0.62 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3iwa s ALA 135 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3iwa s ALA 135 CO 0.29 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.69 3iwa n GLY 136 N 0.59 0.60 3.40 0.00 0.00 -1.26 -0.84 105.19 107.67 3iwa n GLY 136 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 3iwa n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwa s VAL 137 N -2.28 5.18 -0.26 1.61 1.01 -1.18 -1.23 120.40 123.25 3iwa s VAL 137 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3iwa s VAL 137 Cb 0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.27 3iwa s VAL 137 CO 0.00 -0.61 -0.07 -0.89 0.00 0.00 0.00 175.10 173.52 3iwa s THR 138 N 1.79 2.59 0.33 3.92 2.01 0.99 -4.96 115.64 122.32 3iwa s THR 138 Ca 0.06 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.44 3iwa s THR 138 Cb -0.24 -2.42 -0.10 0.00 0.01 0.00 0.00 72.50 69.76 3iwa s THR 138 CO 0.07 0.06 1.23 -2.16 -0.69 0.00 0.00 174.62 173.13 3iwa s PRO 139 N 1.22 4.37 -0.23 4.92 0.04 -1.26 -1.44 135.00 142.62 3iwa s PRO 139 Ca -0.04 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 3iwa s PRO 139 Cb -0.18 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.40 3iwa s PRO 139 CO -0.04 -0.12 0.06 0.08 0.04 0.00 0.00 177.00 177.02 3iwa s VAL 140 N -1.19 0.50 -1.34 -0.36 1.01 -0.51 -4.87 120.40 113.64 3iwa s VAL 140 Ca 0.49 -0.73 0.20 0.00 0.00 0.00 0.00 61.98 61.94 3iwa s VAL 140 Cb -0.36 -1.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.75 3iwa s VAL 140 CO 0.47 -0.37 0.92 0.35 0.00 0.00 0.00 175.10 176.48 3iwa n THR 141 N 5.04 0.00 -3.66 3.92 -2.24 -1.26 -4.62 114.28 111.46 3iwa n THR 141 Ca -0.07 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3iwa n THR 141 Cb 0.46 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 3iwa n THR 141 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iwa s ASN 142 N -2.66 -0.39 0.41 3.42 2.20 -1.26 -4.96 114.94 111.70 3iwa s ASN 142 Ca 0.12 -0.34 0.11 0.00 -0.94 0.00 0.00 52.86 51.81 3iwa s ASN 142 Cb 0.16 0.65 0.86 0.00 -2.00 0.00 0.00 41.25 40.92 3iwa s ASN 142 CO 0.70 -1.15 1.95 -0.07 -2.94 0.00 0.00 177.10 175.59 3iwa h LEU 143 N 2.03 0.15 -0.45 3.54 3.38 -1.96 -0.60 115.31 121.40 3iwa h LEU 143 Ca -0.27 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3iwa h LEU 143 Cb 1.28 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3iwa h LEU 143 CO 0.31 0.31 0.06 0.44 0.09 0.00 0.00 178.44 179.66 3iwa h ASP 144 N 0.16 0.73 -0.82 -0.43 3.32 -1.99 -1.32 116.42 116.07 3iwa h ASP 144 Ca 0.03 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3iwa h ASP 144 Cb 0.34 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3iwa h ASP 144 CO 0.02 0.82 0.37 -0.08 -1.72 0.00 0.00 179.24 178.65 3iwa h GLU 145 N 0.62 1.20 -0.00 3.56 4.81 -1.75 -1.82 114.58 121.20 3iwa h GLU 145 Ca 0.14 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3iwa h GLU 145 Cb 0.40 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3iwa h GLU 145 CO 0.01 0.94 -0.12 0.00 -0.73 0.00 0.00 179.01 179.12 3iwa h ALA 146 N 1.20 -0.13 -0.82 2.92 0.00 -0.90 -1.60 119.26 119.93 3iwa h ALA 146 Ca 0.28 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3iwa h ALA 146 Cb 0.16 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3iwa h ALA 146 CO -0.03 -0.61 0.54 1.05 0.00 0.00 0.00 179.25 180.20 3iwa h GLU 147 N -0.20 1.04 0.22 0.00 4.11 -1.10 -1.59 114.58 117.06 3iwa h GLU 147 Ca 0.04 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.42 3iwa h GLU 147 Cb 0.25 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3iwa h GLU 147 CO -0.12 0.69 -0.36 0.35 0.07 0.00 0.00 179.01 179.64 3iwa h PHE 148 N 1.07 -0.99 -0.51 2.06 3.57 -1.01 -1.73 116.94 119.39 3iwa h PHE 148 Ca 0.32 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.89 3iwa h PHE 148 Cb -0.06 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3iwa h PHE 148 CO -0.02 -0.48 0.24 0.28 -2.23 0.00 0.00 178.31 176.09 3iwa h VAL 149 N -0.66 0.91 -0.93 1.41 2.07 -1.09 -1.15 116.25 116.82 3iwa h VAL 149 Ca 0.01 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3iwa h VAL 149 Cb 0.64 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3iwa h VAL 149 CO -0.15 0.08 0.59 1.56 0.02 0.00 0.00 177.57 179.68 3iwa h GLN 150 N 0.46 1.07 -0.01 1.57 4.20 -1.11 -2.27 115.11 119.02 3iwa h GLN 150 Ca 0.23 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3iwa h GLN 150 Cb 0.18 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3iwa h GLN 150 CO -0.19 0.71 -0.21 0.72 -0.67 0.00 0.00 178.83 179.19 3iwa n HIS 151 N -4.54 0.00 0.10 2.96 8.25 -0.67 -3.71 115.22 117.61 3iwa n HIS 151 Ca 0.13 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.70 3iwa n HIS 151 Cb 0.15 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 3iwa n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iwa h ALA 152 N 3.80 0.52 -2.15 -1.41 0.00 -0.63 -3.46 119.26 115.93 3iwa h ALA 152 Ca 0.00 -0.08 -0.45 0.00 0.00 0.00 0.00 54.91 54.37 3iwa h ALA 152 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iwa h ALA 152 CO 0.00 0.09 0.29 0.42 0.00 0.00 0.00 179.25 180.05 3iwa s ILE 153 N -3.32 4.43 0.21 0.00 1.01 -1.09 -5.09 121.20 117.35 3iwa s ILE 153 Ca -0.01 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.05 3iwa s ILE 153 Cb 0.09 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3iwa s ILE 153 CO 0.79 -0.24 0.17 -0.94 0.00 0.00 0.00 174.94 174.72 3iwa s SER 154 N -2.13 0.21 0.03 3.58 1.04 -1.26 -5.00 113.70 110.16 3iwa s SER 154 Ca 0.59 -1.37 -0.37 0.00 0.48 0.00 0.00 55.95 55.28 3iwa s SER 154 Cb -0.10 0.41 -0.17 0.00 0.10 0.00 0.00 66.02 66.26 3iwa s SER 154 CO 0.15 -0.88 1.38 0.00 0.98 0.00 0.00 173.24 174.87 3iwa n ALA 155 N -0.30 -1.03 -0.99 5.32 0.00 -1.26 -2.27 120.51 119.98 3iwa n ALA 155 Ca 0.02 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3iwa n ALA 155 Cb 0.65 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3iwa n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iwa n GLY 156 N 2.70 0.71 0.14 0.00 0.00 -1.26 -4.91 105.19 102.57 3iwa n GLY 156 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3iwa n GLY 156 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwa h GLU 157 N 1.89 0.46 -5.95 1.61 5.08 -1.88 -3.46 114.58 112.33 3iwa h GLU 157 Ca 0.00 -0.78 -0.68 0.00 -1.00 0.00 0.00 59.36 56.90 3iwa h GLU 157 Cb 0.03 0.29 -0.27 0.00 0.50 0.00 0.00 28.75 29.30 3iwa h GLU 157 CO 0.00 1.37 -0.81 0.08 -1.00 0.00 0.00 179.01 178.65 3iwa s VAL 158 N -2.55 2.70 -0.19 3.13 1.01 -1.26 -5.02 120.40 118.23 3iwa s VAL 158 Ca -0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 3iwa s VAL 158 Cb 0.03 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 3iwa s VAL 158 CO 0.90 0.57 -0.26 -0.24 0.00 0.00 0.00 175.10 176.07 3iwa n SER 159 N 2.86 1.45 -4.03 3.32 2.88 -1.26 -4.85 113.62 113.98 3iwa n SER 159 Ca -0.17 0.25 -0.26 0.00 -1.33 0.00 0.00 58.87 57.36 3iwa n SER 159 Cb 0.52 -0.59 -0.17 0.00 -0.75 0.00 0.00 64.21 63.22 3iwa n SER 159 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3iwa s LYS 160 N -2.40 1.83 -0.14 -1.46 1.02 -1.26 -3.08 119.74 114.25 3iwa s LYS 160 Ca -0.27 -0.45 -0.00 0.00 0.02 0.00 0.00 55.97 55.27 3iwa s LYS 160 Cb 0.10 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.86 3iwa s LYS 160 CO 0.35 0.00 -0.13 0.00 -0.92 0.00 0.00 175.35 174.65 3iwa s ALA 161 N 0.77 2.62 -0.17 5.17 0.00 -0.14 -1.46 121.76 128.55 3iwa s ALA 161 Ca -0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 3iwa s ALA 161 Cb -0.16 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 3iwa s ALA 161 CO 0.02 0.18 -0.07 0.08 0.00 0.00 0.00 175.76 175.97 3iwa s VAL 162 N 0.46 3.40 -0.28 0.00 1.01 -0.16 -1.88 120.40 122.95 3iwa s VAL 162 Ca -0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3iwa s VAL 162 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3iwa s VAL 162 CO 0.05 0.48 0.18 -0.63 0.00 0.00 0.00 175.10 175.17 3iwa s ILE 163 N 0.75 5.15 -0.54 2.22 1.09 0.11 -1.16 121.20 128.82 3iwa s ILE 163 Ca -0.03 0.06 -0.19 0.00 -1.10 0.00 0.00 60.65 59.39 3iwa s ILE 163 Cb -0.15 -3.48 0.08 0.00 -1.06 0.00 0.00 42.46 37.85 3iwa s ILE 163 CO 0.02 0.22 0.65 -0.69 -0.10 0.00 0.00 174.94 175.05 3iwa s VAL 164 N 1.73 4.86 0.00 2.92 1.01 0.17 -0.75 120.40 130.34 3iwa s VAL 164 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3iwa s VAL 164 Cb -0.16 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.84 3iwa s VAL 164 CO 0.10 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.87 3iwa n GLY 165 N 5.22 3.29 2.29 4.51 0.00 -0.37 -0.87 105.19 119.25 3iwa n GLY 165 Ca -0.08 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 3iwa n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwa n GLY 166 N 0.54 6.06 0.00 -0.02 0.00 -1.26 -4.19 105.19 106.32 3iwa n GLY 166 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.50 3iwa n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwa n GLY 167 N -0.75 0.84 0.18 -0.02 0.00 -1.26 0.27 105.19 104.45 3iwa n GLY 167 Ca 0.52 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3iwa n GLY 167 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3iwa h PHE 168 N -0.14 -0.33 0.24 1.61 -5.15 -1.94 -0.60 116.94 110.63 3iwa h PHE 168 Ca 0.00 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.77 3iwa h PHE 168 Cb 0.00 0.16 0.00 0.00 0.22 0.00 0.00 35.95 36.33 3iwa h PHE 168 CO 0.00 -0.19 -0.11 0.82 -2.00 0.00 0.00 178.31 176.82 3iwa h ILE 169 N -0.19 0.81 -0.52 0.88 1.08 -1.94 -2.17 117.51 115.46 3iwa h ILE 169 Ca 0.07 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 64.34 3iwa h ILE 169 Cb 0.28 0.99 -0.08 0.00 -3.07 0.00 0.00 36.82 34.94 3iwa h ILE 169 CO -0.18 0.07 0.05 1.23 -0.69 0.00 0.00 178.15 178.62 3iwa h GLY 170 N -0.47 0.59 1.04 5.37 0.00 -1.68 -0.92 103.07 107.00 3iwa h GLY 170 Ca -0.03 0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3iwa h GLY 170 CO 0.05 -0.12 -0.40 1.41 0.00 0.00 0.00 176.54 177.47 3iwa h LEU 171 N 0.17 0.86 -1.00 3.11 3.38 -1.07 0.94 115.31 121.69 3iwa h LEU 171 Ca 0.27 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3iwa h LEU 171 Cb 0.40 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3iwa h LEU 171 CO -0.40 1.19 0.66 -0.33 0.09 0.00 0.00 178.44 179.65 3iwa h GLU 172 N 0.54 1.29 -0.40 1.13 4.39 -1.07 -2.09 114.58 118.37 3iwa h GLU 172 Ca 0.03 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 3iwa h GLU 172 Cb 1.00 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3iwa h GLU 172 CO 0.09 0.85 -0.11 0.52 -1.16 0.00 0.00 179.01 179.20 3iwa h MET 173 N 1.33 0.78 -0.35 2.33 2.86 -0.89 -1.72 114.93 119.26 3iwa h MET 173 Ca 0.37 -0.31 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 3iwa h MET 173 Cb -0.11 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.43 3iwa h MET 173 CO -0.09 0.92 -0.18 0.00 1.06 0.00 0.00 176.91 178.62 3iwa h ALA 174 N 0.84 0.08 -0.10 6.32 0.00 -0.31 -0.72 119.26 125.37 3iwa h ALA 174 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3iwa h ALA 174 Cb 0.64 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3iwa h ALA 174 CO 0.04 -0.56 0.03 0.28 0.00 0.00 0.00 179.25 179.05 3iwa h VAL 175 N -0.12 1.18 -0.24 0.00 2.07 -1.35 -2.02 116.25 115.76 3iwa h VAL 175 Ca 0.18 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3iwa h VAL 175 Cb 0.40 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3iwa h VAL 175 CO -0.43 0.16 0.12 0.28 0.02 0.00 0.00 177.57 177.72 3iwa h SER 176 N -0.02 0.18 -0.24 0.57 0.02 -0.97 0.81 113.55 113.90 3iwa h SER 176 Ca 0.03 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3iwa h SER 176 Cb 0.22 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3iwa h SER 176 CO -0.00 0.14 0.09 -0.07 -1.14 0.00 0.00 176.83 175.85 3iwa h LEU 177 N 0.25 0.33 -0.84 5.07 3.38 -1.11 0.13 115.31 122.52 3iwa h LEU 177 Ca 0.10 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3iwa h LEU 177 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3iwa h LEU 177 CO -0.07 0.41 -0.38 0.00 0.09 0.00 0.00 178.44 178.49 3iwa h ALA 178 N 0.93 1.01 0.10 1.53 0.00 -1.22 -2.61 119.26 119.00 3iwa h ALA 178 Ca 0.08 -0.41 -0.36 0.00 0.00 0.00 0.00 54.91 54.22 3iwa h ALA 178 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3iwa h ALA 178 CO -0.01 0.61 -1.99 -3.47 0.00 0.00 0.00 179.25 174.39 3iwa n ASP 179 N -4.04 2.09 0.07 0.00 2.03 0.27 -1.96 116.55 115.01 3iwa n ASP 179 Ca -0.01 0.19 -0.15 0.00 0.52 0.00 0.00 54.79 55.34 3iwa n ASP 179 Cb 0.48 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 39.99 3iwa n ASP 179 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3iwa h MET 180 N -0.05 0.44 0.00 -0.67 2.86 -0.89 -3.40 114.93 113.22 3iwa h MET 180 Ca -0.44 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 56.69 3iwa h MET 180 Cb 1.95 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.76 3iwa h MET 180 CO 0.03 1.17 0.00 0.91 1.06 0.00 0.00 176.91 180.08 3iwa n TRP 181 N -3.73 0.00 -2.25 -0.22 5.03 -1.08 -5.02 117.44 110.17 3iwa n TRP 181 Ca -0.08 0.00 -0.20 0.00 3.03 0.00 0.00 57.50 60.25 3iwa n TRP 181 Cb 0.88 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 31.13 3iwa n TRP 181 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3iwa n GLY 182 N 0.05 -0.05 3.72 6.99 0.00 -0.83 -4.89 105.19 110.19 3iwa n GLY 182 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iwa n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwa s ILE 183 N -2.97 4.06 -0.15 -0.61 1.01 -1.00 -4.96 121.20 116.57 3iwa s ILE 183 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 3iwa s ILE 183 Cb 0.00 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 3iwa s ILE 183 CO 0.00 0.19 2.02 -0.62 0.00 0.00 0.00 174.94 176.54 3iwa s ASP 184 N 0.52 5.91 -0.06 3.58 -1.08 -1.18 -4.06 116.67 120.30 3iwa s ASP 184 Ca 0.54 2.03 0.03 0.00 -0.52 0.00 0.00 52.55 54.63 3iwa s ASP 184 Cb -0.28 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 3iwa s ASP 184 CO 0.32 -1.57 -0.16 -0.89 0.52 0.00 0.00 175.17 173.38 3iwa s THR 185 N 6.62 1.43 -0.04 1.71 2.01 -1.26 -0.97 115.64 125.15 3iwa s THR 185 Ca 0.91 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3iwa s THR 185 Cb -0.34 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 70.92 3iwa s THR 185 CO 0.36 0.42 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.70 3iwa s THR 186 N 0.36 1.03 -0.16 -0.82 2.01 -0.79 -2.40 115.64 114.87 3iwa s THR 186 Ca -0.11 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 3iwa s THR 186 Cb -0.15 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 3iwa s THR 186 CO 0.04 0.32 0.05 -0.69 -0.69 0.00 0.00 174.62 173.65 3iwa s VAL 187 N 0.33 4.66 -0.16 3.82 1.01 0.30 0.05 120.40 130.41 3iwa s VAL 187 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3iwa s VAL 187 Cb -0.12 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3iwa s VAL 187 CO 0.02 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.72 3iwa s VAL 188 N 0.14 2.00 -0.08 2.92 1.01 0.07 -0.80 120.40 125.66 3iwa s VAL 188 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3iwa s VAL 188 Cb -0.12 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3iwa s VAL 188 CO 0.01 0.53 -0.15 -0.70 0.00 0.00 0.00 175.10 174.79 3iwa s GLU 189 N 1.18 2.03 0.09 2.72 2.56 0.73 -1.24 118.70 126.77 3iwa s GLU 189 Ca 0.02 -0.52 -0.19 0.00 0.00 0.00 0.00 54.97 54.28 3iwa s GLU 189 Cb -0.14 -1.64 -0.08 0.00 2.00 0.00 0.00 34.13 34.27 3iwa s GLU 189 CO -0.10 0.05 1.55 1.25 -0.56 0.00 0.00 175.26 177.45 3iwa h LEU 190 N 6.98 0.40-10.27 2.70 5.85 -1.83 -1.96 115.31 117.18 3iwa h LEU 190 Ca -0.28 -0.27 -0.52 0.00 0.84 0.00 0.00 57.88 57.65 3iwa h LEU 190 Cb 1.20 -0.11 0.15 0.00 0.37 0.00 0.00 40.66 42.27 3iwa h LEU 190 CO 0.47 0.57 0.31 0.00 -0.34 0.00 0.00 178.44 179.45 3iwa s ALA 191 N -5.14 2.01 -2.00 1.25 0.00 -1.26 -3.11 121.76 113.52 3iwa s ALA 191 Ca -0.14 0.50 0.08 0.00 0.00 0.00 0.00 51.96 52.40 3iwa s ALA 191 Cb 0.07 -3.37 0.48 0.00 0.00 0.00 0.00 23.12 20.31 3iwa s ALA 191 CO 0.74 -2.04 0.97 -0.40 0.00 0.00 0.00 175.76 175.03 3iwa n ASP 192 N -3.50 0.00 -3.77 0.00 5.68 -1.26 -1.63 116.55 112.08 3iwa n ASP 192 Ca 0.11 -0.86 -0.12 0.00 -0.50 0.00 0.00 54.79 53.42 3iwa n ASP 192 Cb 0.52 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.42 3iwa n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iwa s GLN 193 N -2.00 0.75 0.76 0.11 -2.07 -1.26 -4.72 119.66 111.23 3iwa s GLN 193 Ca 0.12 -0.44 -0.11 0.00 -1.82 0.00 0.00 55.36 53.10 3iwa s GLN 193 Cb 0.06 0.33 0.05 0.00 -1.09 0.00 0.00 33.01 32.35 3iwa s GLN 193 CO 0.09 -0.23 1.09 0.96 -1.32 0.00 0.00 175.29 175.88 3iwa s ILE 194 N -2.24 3.36 -1.61 3.63 -4.36 -1.26 -4.10 121.20 114.62 3iwa s ILE 194 Ca -0.07 0.44 -0.13 0.00 -0.26 0.00 0.00 60.65 60.63 3iwa s ILE 194 Cb -0.02 -3.22 0.11 0.00 1.25 0.00 0.00 42.46 40.57 3iwa s ILE 194 CO -0.01 -0.58 0.70 0.23 0.24 0.00 0.00 174.94 175.52 3iwa n MET 195 N -3.30 -3.41 -1.89 0.37 2.81 0.14 -4.82 117.12 107.01 3iwa n MET 195 Ca 0.07 0.40 -0.41 0.00 -1.81 0.00 0.00 57.70 55.95 3iwa n MET 195 Cb 0.56 -4.97 -0.02 0.00 -0.71 0.00 0.00 33.22 28.08 3iwa n MET 195 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3iwa s PRO 196 N -6.81 4.19 0.00 0.03 0.04 -1.26 -1.37 135.00 129.83 3iwa s PRO 196 Ca 0.53 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3iwa s PRO 196 Cb -0.28 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3iwa s PRO 196 CO 0.91 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.83 3iwa n GLY 197 N 2.26 2.36 0.24 0.56 0.00 -1.26 -4.82 105.19 104.53 3iwa n GLY 197 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3iwa n GLY 197 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iwa n PHE 198 N -2.00 0.00 -4.46 1.61 0.99 -0.47 -4.52 117.46 108.60 3iwa n PHE 198 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.21 3iwa n PHE 198 Cb 0.00 -0.55 -0.10 0.00 -1.00 0.00 0.00 39.48 37.83 3iwa n PHE 198 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3iwa s THR 199 N -2.28 2.49 1.00 4.37 -4.23 -0.97 -4.80 115.64 111.21 3iwa s THR 199 Ca -0.20 -2.38 -0.12 0.00 -1.18 0.00 0.00 61.69 57.81 3iwa s THR 199 Cb 0.06 -2.30 0.19 0.00 1.34 0.00 0.00 72.50 71.79 3iwa s THR 199 CO 0.31 -0.39 1.08 -0.94 -0.54 0.00 0.00 174.62 174.14 3iwa s SER 200 N -3.47 2.42 0.17 3.99 1.04 -1.26 -4.71 113.70 111.87 3iwa s SER 200 Ca 0.30 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 58.24 3iwa s SER 200 Cb -0.05 -2.31 0.10 0.00 0.10 0.00 0.00 66.02 63.86 3iwa s SER 200 CO 0.15 -3.33 1.75 0.50 0.98 0.00 0.00 173.24 173.29 3iwa h LYS 201 N -2.02 0.28 -0.59 4.02 3.64 -1.96 0.38 116.57 120.32 3iwa h LYS 201 Ca -0.52 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3iwa h LYS 201 Cb 1.30 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3iwa h LYS 201 CO 0.50 0.18 0.35 0.66 -2.27 0.00 0.00 179.45 178.87 3iwa h SER 202 N 0.29 0.71 0.06 4.20 4.64 -2.01 -2.56 113.55 118.88 3iwa h SER 202 Ca 0.19 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 3iwa h SER 202 Cb 0.19 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3iwa h SER 202 CO -0.21 0.57 -0.54 0.25 -0.87 0.00 0.00 176.83 176.04 3iwa h LEU 203 N 0.80 0.57 -2.04 5.97 5.85 -1.88 -3.12 115.31 121.45 3iwa h LEU 203 Ca 0.21 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.72 3iwa h LEU 203 Cb -0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3iwa h LEU 203 CO -0.04 1.00 0.23 0.77 -0.34 0.00 0.00 178.44 180.06 3iwa h SER 204 N 0.40 0.00 -0.34 1.25 4.64 -0.50 -1.75 113.55 117.25 3iwa h SER 204 Ca 0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3iwa h SER 204 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3iwa h SER 204 CO 0.10 0.00 0.01 1.56 -0.87 0.00 0.00 176.83 177.63 3iwa h GLN 205 N 0.00 0.69 -0.49 4.77 1.08 -1.46 0.33 115.11 120.03 3iwa h GLN 205 Ca 0.15 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3iwa h GLN 205 Cb 0.61 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 3iwa h GLN 205 CO -0.00 0.70 0.31 0.52 -0.95 0.00 0.00 178.83 179.41 3iwa h MET 206 N 0.65 0.61 -0.42 1.46 2.86 -1.47 -0.50 114.93 118.13 3iwa h MET 206 Ca 0.13 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 3iwa h MET 206 Cb 0.39 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3iwa h MET 206 CO 0.01 0.41 -0.28 -0.07 1.06 0.00 0.00 176.91 178.04 3iwa h LEU 207 N 0.63 0.97 -0.75 1.22 4.07 -1.17 -2.54 115.31 117.74 3iwa h LEU 207 Ca 0.19 -0.43 0.10 0.00 0.08 0.00 0.00 57.88 57.82 3iwa h LEU 207 Cb -0.03 -0.27 -0.08 0.00 1.08 0.00 0.00 40.66 41.36 3iwa h LEU 207 CO -0.06 1.19 0.38 -0.09 -1.08 0.00 0.00 178.44 178.78 3iwa h ARG 208 N 0.75 0.61 -0.43 1.13 2.43 -0.14 -2.38 114.38 116.36 3iwa h ARG 208 Ca 0.08 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3iwa h ARG 208 Cb 0.86 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3iwa h ARG 208 CO 0.08 0.40 -0.11 1.25 -1.51 0.00 0.00 179.97 180.08 3iwa h HIS 209 N 0.63 0.94 -0.83 2.20 2.76 -0.86 -0.60 115.15 119.38 3iwa h HIS 209 Ca 0.37 -0.20 0.14 0.00 -2.20 0.00 0.00 60.37 58.48 3iwa h HIS 209 Cb 0.41 -0.23 -0.09 0.00 1.55 0.00 0.00 27.41 29.05 3iwa h HIS 209 CO -0.10 0.95 0.43 0.22 -1.30 0.00 0.00 177.93 178.12 3iwa h ASP 210 N 0.66 0.53 -0.06 3.26 1.82 -1.03 -0.58 116.42 121.01 3iwa h ASP 210 Ca 0.11 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 3iwa h ASP 210 Cb 0.65 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 3iwa h ASP 210 CO 0.04 0.24 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.78 3iwa h LEU 211 N 0.63 0.15 -1.35 2.28 3.38 -0.79 -3.14 115.31 116.48 3iwa h LEU 211 Ca 0.45 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3iwa h LEU 211 Cb 0.60 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3iwa h LEU 211 CO -0.35 0.60 -0.33 -0.33 0.09 0.00 0.00 178.44 178.12 3iwa h GLU 212 N -0.29 0.00 0.00 1.13 5.08 -0.74 -0.89 114.58 118.87 3iwa h GLU 212 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iwa h GLU 212 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3iwa h GLU 212 CO 0.01 0.33 -0.20 0.36 -1.00 0.00 0.00 179.01 178.51 3iwa n LYS 213 N -4.10 0.23 -1.06 2.33 2.85 -0.26 -2.57 118.16 115.58 3iwa n LYS 213 Ca -0.02 0.15 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 3iwa n LYS 213 Cb 0.37 -1.73 0.18 0.00 -0.65 0.00 0.00 35.03 33.20 3iwa n LYS 213 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3iwa n ASN 214 N -2.11 3.37 0.00 -5.58 3.02 -0.93 -4.96 115.26 108.07 3iwa n ASN 214 Ca 0.05 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 3iwa n ASN 214 Cb 0.42 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3iwa n ASN 214 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iwa n ASP 215 N -1.11 -1.89 -4.67 6.41 8.00 -1.06 -5.00 116.55 117.22 3iwa n ASP 215 Ca 0.46 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 3iwa n ASP 215 Cb 1.27 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 3iwa n ASP 215 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwa s VAL 216 N -2.61 4.78 0.16 2.53 1.01 -0.38 -4.64 120.40 121.25 3iwa s VAL 216 Ca 0.00 1.91 -0.26 0.00 0.00 0.00 0.00 61.98 63.63 3iwa s VAL 216 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 3iwa s VAL 216 CO 0.00 -0.05 0.79 -0.69 0.00 0.00 0.00 175.10 175.15 3iwa s VAL 217 N 2.45 4.38 -0.09 2.92 1.01 -1.01 -3.18 120.40 126.88 3iwa s VAL 217 Ca 0.44 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.18 3iwa s VAL 217 Cb -0.17 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.07 3iwa s VAL 217 CO 0.12 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.85 3iwa s VAL 218 N -1.04 1.70 -0.13 2.92 1.01 -1.26 -0.54 120.40 123.06 3iwa s VAL 218 Ca 0.36 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3iwa s VAL 218 Cb -0.23 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3iwa s VAL 218 CO 0.26 0.48 -0.20 -1.00 0.00 0.00 0.00 175.10 174.64 3iwa s HIS 219 N 0.55 2.48 0.40 5.22 3.76 0.02 -4.98 115.29 122.75 3iwa s HIS 219 Ca -0.15 -1.24 0.08 0.00 -0.15 0.00 0.00 55.06 53.59 3iwa s HIS 219 Cb -0.17 -1.71 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 3iwa s HIS 219 CO 0.05 -0.58 0.21 0.95 -0.85 0.00 0.00 174.74 174.52 3iwa s THR 220 N 0.88 2.47 -1.46 1.30 -4.23 -1.26 -0.19 115.64 113.15 3iwa s THR 220 Ca -0.06 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3iwa s THR 220 Cb -0.15 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.79 3iwa s THR 220 CO -0.02 -0.03 0.71 0.61 -0.54 0.00 0.00 174.62 175.35 3iwa n GLY 221 N -1.28 -0.48 2.89 3.99 0.00 -0.64 -4.91 105.19 104.75 3iwa n GLY 221 Ca -0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3iwa n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iwa s GLU 222 N -6.36 0.94 -0.04 1.61 2.12 -0.82 -4.98 118.70 111.16 3iwa s GLU 222 Ca 0.55 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 3iwa s GLU 222 Cb -0.28 -0.97 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 3iwa s GLU 222 CO 0.67 -0.11 0.02 0.21 -0.54 0.00 0.00 175.26 175.51 3iwa s LYS 223 N 1.08 2.94 -0.15 4.30 2.20 -1.26 -3.10 119.74 125.74 3iwa s LYS 223 Ca -0.08 -0.48 -0.26 0.00 -0.36 0.00 0.00 55.97 54.79 3iwa s LYS 223 Cb -0.14 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 3iwa s LYS 223 CO -0.01 0.67 0.84 0.08 -0.36 0.00 0.00 175.35 176.57 3iwa s VAL 224 N -1.01 4.89 -0.25 4.02 1.01 -1.26 -1.48 120.40 126.31 3iwa s VAL 224 Ca 0.17 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3iwa s VAL 224 Cb -0.12 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 3iwa s VAL 224 CO 0.07 0.05 -0.20 0.52 0.00 0.00 0.00 175.10 175.53 3iwa n VAL 225 N 4.62 1.51 -3.51 2.92 0.31 0.19 -4.92 118.33 119.45 3iwa n VAL 225 Ca 0.04 -0.56 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 3iwa n VAL 225 Cb 0.49 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 3iwa n VAL 225 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iwa s ARG 226 N -2.52 0.83 -0.12 5.55 1.70 -0.99 -4.48 118.95 118.92 3iwa s ARG 226 Ca -0.35 -0.31 -0.05 0.00 -0.47 0.00 0.00 55.73 54.55 3iwa s ARG 226 Cb 0.09 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3iwa s ARG 226 CO 0.60 -0.36 0.07 -0.51 -1.08 0.00 0.00 175.30 174.01 3iwa s LEU 227 N -2.49 3.93 -0.05 -1.89 1.43 -0.50 -0.31 118.68 118.79 3iwa s LEU 227 Ca 0.05 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3iwa s LEU 227 Cb -0.01 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3iwa s LEU 227 CO -0.09 0.34 -0.14 -1.61 0.23 0.00 0.00 176.35 175.08 3iwa s GLU 228 N -0.63 2.54 0.18 1.70 2.02 0.57 -4.16 118.70 120.92 3iwa s GLU 228 Ca 0.11 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.47 3iwa s GLU 228 Cb -0.12 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 3iwa s GLU 228 CO 0.02 0.61 -0.12 0.20 0.02 0.00 0.00 175.26 176.00 3iwa s GLY 229 N -0.69 1.26 -0.07 -1.39 0.00 -1.26 -0.46 107.32 104.71 3iwa s GLY 229 Ca 0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 3iwa s GLY 229 CO 0.01 -1.67 -0.09 1.18 0.00 0.00 0.00 173.10 172.53 3iwa n GLU 230 N -0.30 0.15 -0.89 2.90 -0.58 -0.07 -4.78 120.64 117.07 3iwa n GLU 230 Ca -0.09 0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.65 3iwa n GLU 230 Cb 0.61 -0.80 0.24 0.00 -0.57 0.00 0.00 31.44 30.92 3iwa n GLU 230 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3iwa n ASN 231 N -3.23 3.75 -0.65 1.62 5.03 -1.26 -4.74 115.26 115.79 3iwa n ASN 231 Ca -0.13 -3.42 -0.08 0.00 0.87 0.00 0.00 54.58 51.81 3iwa n ASN 231 Cb 0.60 -0.69 -0.04 0.00 -1.02 0.00 0.00 39.78 38.63 3iwa n ASN 231 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iwa n GLY 232 N -0.70 0.99 3.42 7.41 0.00 -1.26 -5.03 105.19 110.03 3iwa n GLY 232 Ca 0.38 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3iwa n GLY 232 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwa s LYS 233 N -2.48 2.73 0.35 1.61 0.00 -1.26 -1.18 119.74 119.52 3iwa s LYS 233 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 55.97 54.96 3iwa s LYS 233 Cb 0.00 -2.41 -0.11 0.00 0.00 0.00 0.00 37.83 35.30 3iwa s LYS 233 CO 0.00 0.49 1.46 1.55 0.00 0.00 0.00 175.35 178.85 3iwa n VAL 234 N 2.70 1.82 0.00 1.79 3.14 -0.02 -0.90 118.33 126.86 3iwa n VAL 234 Ca -0.17 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 3iwa n VAL 234 Cb 0.52 -1.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 3iwa n VAL 234 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iwa n ALA 235 N 0.72 1.11 -3.09 1.55 0.00 0.39 -4.31 120.51 116.87 3iwa n ALA 235 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 3iwa n ALA 235 Cb 0.38 0.05 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 3iwa n ALA 235 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iwa s ARG 236 N -1.11 0.26 -0.21 0.00 0.52 0.16 -1.24 118.95 117.34 3iwa s ARG 236 Ca 0.00 0.24 -0.07 0.00 -0.52 0.00 0.00 55.73 55.38 3iwa s ARG 236 Cb 0.00 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 3iwa s ARG 236 CO 0.00 -0.04 0.05 0.08 0.02 0.00 0.00 175.30 175.41 3iwa s VAL 237 N -0.00 4.41 -0.25 3.52 1.01 0.12 -0.32 120.40 128.89 3iwa s VAL 237 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 3iwa s VAL 237 Cb -0.02 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3iwa s VAL 237 CO 0.00 0.40 0.12 -0.63 0.00 0.00 0.00 175.10 175.00 3iwa s ILE 238 N 0.99 4.80 0.54 2.22 -1.09 0.57 -0.85 121.20 128.38 3iwa s ILE 238 Ca 0.03 -0.01 0.09 0.00 -2.23 0.00 0.00 60.65 58.53 3iwa s ILE 238 Cb -0.14 -3.25 0.07 0.00 -1.58 0.00 0.00 42.46 37.56 3iwa s ILE 238 CO 0.03 0.32 0.71 0.42 -1.23 0.00 0.00 174.94 175.19 3iwa s THR 239 N 1.46 2.29 -1.84 2.92 -4.23 0.26 -0.64 115.64 115.85 3iwa s THR 239 Ca 0.06 -1.05 0.21 0.00 -1.18 0.00 0.00 61.69 59.73 3iwa s THR 239 Cb -0.15 -2.33 0.52 0.00 1.34 0.00 0.00 72.50 71.88 3iwa s THR 239 CO 0.06 0.00 1.62 -0.90 -0.54 0.00 0.00 174.62 174.86 3iwa n ASP 240 N -2.11 0.00 0.00 3.99 5.75 -0.55 -3.66 116.55 119.97 3iwa n ASP 240 Ca 0.13 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 3iwa n ASP 240 Cb 0.61 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3iwa n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3iwa n LYS 241 N -1.08 2.46 -3.84 0.11 5.02 -1.26 -5.04 118.16 114.54 3iwa n LYS 241 Ca 0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.39 3iwa n LYS 241 Cb 0.10 -0.75 0.01 0.00 -0.02 0.00 0.00 35.03 34.37 3iwa n LYS 241 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3iwa s ARG 242 N -1.30 1.43 -0.13 1.97 1.70 -1.24 -5.15 118.95 116.23 3iwa s ARG 242 Ca 0.00 -0.89 0.01 0.00 -0.47 0.00 0.00 55.73 54.38 3iwa s ARG 242 Cb 0.00 0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3iwa s ARG 242 CO 0.00 -0.67 -0.17 0.99 -1.08 0.00 0.00 175.30 174.37 3iwa s THR 243 N -2.51 2.58 -0.08 4.99 2.01 -1.26 -0.58 115.64 120.79 3iwa s THR 243 Ca 0.18 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.41 3iwa s THR 243 Cb -0.03 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 3iwa s THR 243 CO 0.05 0.53 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.54 3iwa s LEU 244 N 0.56 2.26 0.06 4.42 1.43 -0.03 -4.99 118.68 122.38 3iwa s LEU 244 Ca -0.11 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 3iwa s LEU 244 Cb -0.16 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 3iwa s LEU 244 CO 0.04 0.23 1.09 -1.81 0.23 0.00 0.00 176.35 176.13 3iwa s ASP 245 N -0.06 7.24 -0.13 2.29 1.01 -1.26 0.13 116.67 125.88 3iwa s ASP 245 Ca -0.06 1.88 -0.06 0.00 0.71 0.00 0.00 52.55 55.03 3iwa s ASP 245 Cb -0.14 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.26 3iwa s ASP 245 CO 0.05 -0.34 0.29 0.00 0.21 0.00 0.00 175.17 175.37 3iwa s ALA 246 N 0.82 -0.67 -0.98 5.23 0.00 -0.37 -4.71 121.76 121.08 3iwa s ALA 246 Ca 0.54 1.09 0.23 0.00 0.00 0.00 0.00 51.96 53.83 3iwa s ALA 246 Cb -0.26 -0.84 0.19 0.00 0.00 0.00 0.00 23.12 22.21 3iwa s ALA 246 CO 0.29 -0.37 1.19 -0.40 0.00 0.00 0.00 175.76 176.47 3iwa n ASP 247 N 4.64 0.70 -3.91 0.00 5.68 -0.53 -2.91 116.55 120.22 3iwa n ASP 247 Ca -0.18 -0.54 -0.21 0.00 -0.50 0.00 0.00 54.79 53.36 3iwa n ASP 247 Cb 0.52 0.58 -0.16 0.00 -1.14 0.00 0.00 41.12 40.92 3iwa n ASP 247 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3iwa s LEU 248 N -3.06 1.35 -0.16 -2.12 2.96 -0.59 -4.76 118.68 112.31 3iwa s LEU 248 Ca 0.09 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3iwa s LEU 248 Cb 0.17 -0.51 0.02 0.00 0.50 0.00 0.00 46.19 46.37 3iwa s LEU 248 CO 0.77 -0.05 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.93 3iwa s VAL 249 N 0.93 1.58 -0.25 1.68 1.01 -0.37 -0.99 120.40 124.00 3iwa s VAL 249 Ca -0.11 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 3iwa s VAL 249 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3iwa s VAL 249 CO 0.00 0.42 0.32 -0.63 0.00 0.00 0.00 175.10 175.22 3iwa s ILE 250 N 1.48 5.22 -0.43 2.22 -1.09 -0.31 -0.01 121.20 128.29 3iwa s ILE 250 Ca 0.04 0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 58.73 3iwa s ILE 250 Cb -0.13 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 3iwa s ILE 250 CO -0.10 0.22 0.72 -0.76 -1.23 0.00 0.00 174.94 173.79 3iwa s LEU 251 N 1.72 4.32 -0.32 2.97 1.43 -0.52 -0.66 118.68 127.62 3iwa s LEU 251 Ca 0.14 -0.12 0.18 0.00 -1.03 0.00 0.00 54.13 53.30 3iwa s LEU 251 Cb -0.15 -2.88 0.46 0.00 0.03 0.00 0.00 46.19 43.65 3iwa s LEU 251 CO 0.09 -0.82 0.96 0.00 0.23 0.00 0.00 176.35 176.80 3iwa n ALA 252 N 6.48 3.38 -1.56 4.21 0.00 -0.05 -1.42 120.51 131.54 3iwa n ALA 252 Ca 0.01 -3.11 -0.12 0.00 0.00 0.00 0.00 53.44 50.22 3iwa n ALA 252 Cb 0.48 -0.94 0.15 0.00 0.00 0.00 0.00 19.45 19.15 3iwa n ALA 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwa n ALA 253 N -0.08 4.70 0.00 0.00 0.00 -1.12 -4.16 120.51 119.85 3iwa n ALA 253 Ca 0.09 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.21 3iwa n ALA 253 Cb 0.82 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3iwa n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iwa n GLY 254 N -1.03 0.28 3.20 0.00 0.00 -1.26 -4.71 105.19 101.67 3iwa n GLY 254 Ca 0.39 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 3iwa n GLY 254 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iwa s VAL 255 N -2.58 0.88 0.09 1.61 -7.23 -1.26 -0.17 120.40 111.74 3iwa s VAL 255 Ca 0.00 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 3iwa s VAL 255 Cb 0.00 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 3iwa s VAL 255 CO 0.00 -0.78 -0.22 -0.44 -0.31 0.00 0.00 175.10 173.34 3iwa s SER 256 N -2.98 2.72 0.25 4.85 0.01 0.22 -4.83 113.70 113.93 3iwa s SER 256 Ca 0.12 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 3iwa s SER 256 Cb 0.03 -0.18 -0.11 0.00 0.21 0.00 0.00 66.02 65.97 3iwa s SER 256 CO -0.02 0.12 1.56 -2.84 0.41 0.00 0.00 173.24 172.46 3iwa s PRO 257 N -1.74 4.18 -1.48 12.44 0.02 -1.26 -0.48 135.00 146.67 3iwa s PRO 257 Ca 0.08 2.47 -0.10 0.00 0.02 0.00 0.00 61.00 63.47 3iwa s PRO 257 Cb -0.10 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.36 3iwa s PRO 257 CO 0.04 -0.58 2.54 -1.71 -0.33 0.00 0.00 177.00 176.96 3iwa n ASN 258 N 2.70 7.01 -0.86 2.53 5.15 -0.52 -4.76 115.26 126.52 3iwa n ASN 258 Ca 0.09 -2.82 0.08 0.00 -0.60 0.00 0.00 54.58 51.33 3iwa n ASN 258 Cb 0.38 -1.53 0.24 0.00 -0.53 0.00 0.00 39.78 38.33 3iwa n ASN 258 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3iwa n THR 259 N 3.53 1.94 -0.27 -0.44 -2.24 -1.26 -4.71 114.28 110.83 3iwa n THR 259 Ca 0.64 -1.62 0.08 0.00 -2.27 0.00 0.00 64.05 60.89 3iwa n THR 259 Cb 0.29 -0.04 0.22 0.00 -2.10 0.00 0.00 70.33 68.70 3iwa n THR 259 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3iwa h GLN 260 N 1.95 0.34 -0.75 -0.78 5.75 -1.93 0.93 115.11 120.62 3iwa h GLN 260 Ca 0.00 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3iwa h GLN 260 Cb 1.26 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 3iwa h GLN 260 CO 0.17 0.22 0.47 1.25 -2.65 0.00 0.00 178.83 178.29 3iwa h LEU 261 N 0.35 0.89 -0.29 -2.39 5.85 -1.94 0.72 115.31 118.50 3iwa h LEU 261 Ca 0.46 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 59.00 3iwa h LEU 261 Cb 0.81 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3iwa h LEU 261 CO -0.50 0.67 -0.38 0.00 -0.34 0.00 0.00 178.44 177.89 3iwa h ALA 262 N 1.48 0.43 0.17 1.25 0.00 -1.30 -2.77 119.26 118.52 3iwa h ALA 262 Ca 0.27 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iwa h ALA 262 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iwa h ALA 262 CO -0.05 0.52 -0.13 -0.09 0.00 0.00 0.00 179.25 179.49 3iwa h ARG 263 N 0.52 -0.30 -0.27 0.00 2.43 -0.37 -1.80 114.38 114.59 3iwa h ARG 263 Ca 0.03 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3iwa h ARG 263 Cb 0.97 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3iwa h ARG 263 CO 0.09 -0.20 0.18 -0.44 -1.51 0.00 0.00 179.97 178.09 3iwa h ASP 264 N -0.31 0.20 1.52 -3.80 3.32 -0.94 -1.88 116.42 114.54 3iwa h ASP 264 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3iwa h ASP 264 Cb 0.28 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3iwa h ASP 264 CO -0.01 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 3iwa h ALA 265 N 1.85 1.00 0.00 3.45 0.00 -1.15 -3.47 119.26 120.93 3iwa h ALA 265 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iwa h ALA 265 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iwa h ALA 265 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3iwa n GLY 266 N 0.91 0.90 3.77 0.00 0.00 -0.70 -4.83 105.19 105.24 3iwa n GLY 266 Ca 0.04 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3iwa n GLY 266 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwa s LEU 267 N 0.00 4.35 0.05 0.99 1.43 -0.73 -4.96 118.68 119.82 3iwa s LEU 267 Ca 0.00 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.84 3iwa s LEU 267 Cb 0.00 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 3iwa s LEU 267 CO 0.00 -0.24 1.63 -1.61 0.23 0.00 0.00 176.35 176.36 3iwa s GLU 268 N -1.98 4.20 0.11 1.70 0.41 -1.26 -4.69 118.70 117.20 3iwa s GLU 268 Ca 0.51 2.29 0.07 0.00 -0.41 0.00 0.00 54.97 57.42 3iwa s GLU 268 Cb -0.24 -3.62 -0.04 0.00 -1.78 0.00 0.00 34.13 28.45 3iwa s GLU 268 CO 0.31 -0.73 -0.17 -0.51 -0.49 0.00 0.00 175.26 173.67 3iwa s LEU 269 N 2.71 2.34 0.74 1.80 1.43 -1.26 -1.85 118.68 124.58 3iwa s LEU 269 Ca 0.73 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 3iwa s LEU 269 Cb -0.39 -0.71 0.08 0.00 0.03 0.00 0.00 46.19 45.21 3iwa s LEU 269 CO 0.32 -0.03 1.06 1.51 0.23 0.00 0.00 176.35 179.43 3iwa s ASP 270 N -2.10 4.57 0.57 2.29 -4.77 0.37 -4.89 116.67 112.70 3iwa s ASP 270 Ca 0.06 0.41 0.28 0.00 -3.30 0.00 0.00 52.55 50.00 3iwa s ASP 270 Cb -0.08 -0.96 1.50 0.00 -1.09 0.00 0.00 42.92 42.29 3iwa s ASP 270 CO 0.04 -1.77 1.97 -0.65 0.70 0.00 0.00 175.17 175.46 3iwa h PRO 271 N -0.75 0.00 0.00 2.11 0.11 -2.02 0.28 132.00 131.73 3iwa h PRO 271 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3iwa h PRO 271 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3iwa h PRO 271 CO 0.57 0.00 -0.00 -2.13 -0.21 0.00 0.00 178.00 176.23 3iwa n ARG 272 N -3.95 0.10 -0.52 1.05 0.63 -1.26 -4.93 116.66 107.77 3iwa n ARG 272 Ca 0.08 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3iwa n ARG 272 Cb 0.59 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.89 3iwa n ARG 272 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iwa n GLY 273 N 1.43 0.74 3.73 5.14 0.00 1.00 -4.57 105.19 112.66 3iwa n GLY 273 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3iwa n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwa s ALA 274 N -2.30 3.31 0.14 4.61 0.00 -1.25 -4.68 121.76 121.58 3iwa s ALA 274 Ca 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 3iwa s ALA 274 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3iwa s ALA 274 CO 0.00 -0.14 1.52 0.42 0.00 0.00 0.00 175.76 177.56 3iwa s ILE 275 N -0.02 2.86 -0.18 0.00 1.01 0.85 -0.48 121.20 125.23 3iwa s ILE 275 Ca 0.49 0.60 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 3iwa s ILE 275 Cb -0.26 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3iwa s ILE 275 CO 0.32 0.04 0.65 -0.63 0.00 0.00 0.00 174.94 175.32 3iwa s ILE 276 N 1.25 5.01 0.14 2.92 1.01 -0.77 -1.64 121.20 129.12 3iwa s ILE 276 Ca 0.69 1.24 0.09 0.00 0.00 0.00 0.00 60.65 62.66 3iwa s ILE 276 Cb -0.41 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3iwa s ILE 276 CO 0.31 0.12 -0.20 0.68 0.00 0.00 0.00 174.94 175.85 3iwa s VAL 277 N 1.83 1.82 0.55 2.92 -7.23 -1.26 -3.95 120.40 115.09 3iwa s VAL 277 Ca 0.30 -1.77 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 3iwa s VAL 277 Cb -0.16 -1.75 0.13 0.00 0.56 0.00 0.00 36.38 35.16 3iwa s VAL 277 CO 0.11 -0.19 0.76 -0.90 -0.31 0.00 0.00 175.10 174.57 3iwa n ASP 278 N 0.63 0.18 0.06 4.85 5.68 -0.22 -4.89 116.55 122.83 3iwa n ASP 278 Ca -0.16 -1.34 0.12 0.00 -0.50 0.00 0.00 54.79 52.90 3iwa n ASP 278 Cb 0.55 -0.57 0.46 0.00 -1.14 0.00 0.00 41.12 40.43 3iwa n ASP 278 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3iwa n THR 279 N -2.96 0.58 1.76 2.12 -2.24 -1.26 -0.92 114.28 111.36 3iwa n THR 279 Ca 0.10 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 3iwa n THR 279 Cb 0.34 -0.79 0.69 0.00 -2.10 0.00 0.00 70.33 68.47 3iwa n THR 279 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iwa n ARG 280 N -1.90 1.29 -1.33 -0.78 3.00 -1.26 -0.41 116.66 115.26 3iwa n ARG 280 Ca 0.05 -0.42 -0.08 0.00 -0.01 0.00 0.00 57.85 57.38 3iwa n ARG 280 Cb 0.30 -1.45 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 3iwa n ARG 280 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3iwa n MET 281 N -0.45 -0.59 -2.94 5.56 2.81 -0.10 -4.73 117.12 116.67 3iwa n MET 281 Ca 0.20 0.76 -0.40 0.00 -1.81 0.00 0.00 57.70 56.45 3iwa n MET 281 Cb 0.20 -4.63 -0.05 0.00 -0.71 0.00 0.00 33.22 28.04 3iwa n MET 281 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3iwa s ARG 282 N -2.87 4.52 0.14 0.03 0.52 -1.26 -1.99 118.95 118.03 3iwa s ARG 282 Ca 0.00 1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 56.30 3iwa s ARG 282 Cb 0.00 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 32.12 3iwa s ARG 282 CO 0.00 0.23 0.14 0.25 0.02 0.00 0.00 175.30 175.94 3iwa n THR 283 N 2.97 0.00 0.21 0.02 -2.24 -0.18 -1.06 114.28 114.01 3iwa n THR 283 Ca -0.01 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 3iwa n THR 283 Cb 0.50 -1.38 0.63 0.00 -2.10 0.00 0.00 70.33 67.98 3iwa n THR 283 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3iwa h SER 284 N -0.83 0.00 -3.71 3.42 4.64 -1.86 -3.38 113.55 111.83 3iwa h SER 284 Ca -0.05 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.60 3iwa h SER 284 Cb 0.15 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.03 3iwa h SER 284 CO 0.03 0.00 -0.54 -0.62 -0.87 0.00 0.00 176.83 174.83 3iwa s ASP 285 N -4.19 5.70 0.09 4.97 -1.08 -1.26 -4.99 116.67 115.91 3iwa s ASP 285 Ca -0.02 -0.39 0.14 0.00 -0.52 0.00 0.00 52.55 51.77 3iwa s ASP 285 Cb 0.07 -2.04 0.62 0.00 -1.46 0.00 0.00 42.92 40.11 3iwa s ASP 285 CO 0.25 -0.16 1.44 -0.81 0.52 0.00 0.00 175.17 176.40 3iwa n PRO 286 N 5.02 0.06 -0.04 4.34 -0.04 -1.26 -0.70 135.00 142.37 3iwa n PRO 286 Ca -0.14 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 3iwa n PRO 286 Cb 0.50 -1.63 0.26 0.00 -0.04 0.00 0.00 33.50 32.60 3iwa n PRO 286 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iwa n ASP 287 N -1.74 2.52 -4.09 3.54 8.00 -1.26 -4.86 116.55 118.65 3iwa n ASP 287 Ca 0.02 -1.83 -0.32 0.00 0.71 0.00 0.00 54.79 53.37 3iwa n ASP 287 Cb 0.13 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 3iwa n ASP 287 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iwa s ILE 288 N -1.91 1.87 0.24 0.53 1.01 0.12 -1.14 121.20 121.92 3iwa s ILE 288 Ca 0.33 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.21 3iwa s ILE 288 Cb 0.20 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3iwa s ILE 288 CO 0.31 0.51 0.23 -0.36 0.00 0.00 0.00 174.94 175.63 3iwa s PHE 289 N 1.23 3.20 -0.07 3.97 0.40 0.11 -1.01 117.98 125.82 3iwa s PHE 289 Ca 0.02 -0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 3iwa s PHE 289 Cb -0.14 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 41.98 3iwa s PHE 289 CO -0.09 0.50 0.39 0.00 0.70 0.00 0.00 175.22 176.71 3iwa s ALA 290 N -2.07 -0.97 0.28 5.36 0.00 -0.84 -0.62 121.76 122.89 3iwa s ALA 290 Ca 0.33 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 3iwa s ALA 290 Cb -0.08 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.85 3iwa s ALA 290 CO 0.26 -0.25 0.52 0.41 0.00 0.00 0.00 175.76 176.71 3iwa n GLY 291 N 1.85 1.49 4.88 0.00 0.00 -1.15 -4.78 105.19 107.48 3iwa n GLY 291 Ca -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3iwa n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwa n GLY 292 N -0.39 0.08 0.04 -0.02 0.00 -1.26 -3.97 105.19 99.67 3iwa n GLY 292 Ca -0.05 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.73 3iwa n GLY 292 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iwa n ASP 293 N 1.61 0.10 -0.68 1.61 8.00 -1.26 -3.46 116.55 122.47 3iwa n ASP 293 Ca 0.00 -1.95 0.08 0.00 0.71 0.00 0.00 54.79 53.64 3iwa n ASP 293 Cb 0.00 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.17 3iwa n ASP 293 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iwa s VAL 295 N -1.38 2.78 -0.10 0.00 -7.23 -1.22 -0.10 120.40 113.14 3iwa s VAL 295 Ca 0.20 -2.21 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 3iwa s VAL 295 Cb 0.14 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 3iwa s VAL 295 CO 0.21 -0.36 0.02 0.28 -0.31 0.00 0.00 175.10 174.94 3iwa s THR 296 N -2.37 4.45 0.12 5.32 -1.32 -0.65 -4.55 115.64 116.63 3iwa s THR 296 Ca 0.30 -0.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.60 3iwa s THR 296 Cb -0.06 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 68.00 3iwa s THR 296 CO 0.16 0.59 -0.05 0.27 -2.21 0.00 0.00 174.62 173.38 3iwa s ILE 297 N -0.74 0.70 0.23 5.08 -4.36 -0.84 -3.99 121.20 117.28 3iwa s ILE 297 Ca 0.12 -1.95 -0.32 0.00 -0.26 0.00 0.00 60.65 58.24 3iwa s ILE 297 Cb -0.12 -1.80 -0.12 0.00 1.25 0.00 0.00 42.46 41.67 3iwa s ILE 297 CO 0.02 -0.77 1.62 -2.65 0.24 0.00 0.00 174.94 173.40 3iwa n PRO 298 N -0.10 2.53 -2.42 0.37 -0.02 -1.26 -0.11 135.00 134.00 3iwa n PRO 298 Ca -0.11 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 3iwa n PRO 298 Cb 0.61 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 3iwa n PRO 298 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3iwa s ASN 299 N 0.81 6.78 0.00 2.55 3.84 0.34 -1.98 114.94 127.28 3iwa s ASN 299 Ca 0.72 1.43 0.22 0.00 0.21 0.00 0.00 52.86 55.43 3iwa s ASN 299 Cb -0.56 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 38.72 3iwa s ASN 299 CO 0.40 -0.95 1.70 0.18 -2.79 0.00 0.00 177.10 175.65 3iwa n LEU 300 N 7.21 0.00 -0.12 3.21 4.77 0.17 -1.21 117.00 131.02 3iwa n LEU 300 Ca 0.14 0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 56.13 3iwa n LEU 300 Cb 0.46 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 3iwa n LEU 300 CO 0.60 -0.07 -0.96 0.52 -1.33 0.00 0.00 177.39 176.15 3iwa n VAL 301 N -1.26 1.53 0.21 4.08 0.31 -1.26 -4.52 118.33 117.42 3iwa n VAL 301 Ca 0.11 -0.19 0.11 0.00 -0.01 0.00 0.00 64.34 64.35 3iwa n VAL 301 Cb 0.17 -1.98 0.16 0.00 -0.91 0.00 0.00 33.84 31.28 3iwa n VAL 301 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3iwa h THR 302 N -1.00 0.15 -0.02 2.52 1.35 -1.94 -3.47 112.91 110.50 3iwa h THR 302 Ca -0.51 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 64.15 3iwa h THR 302 Cb 1.43 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 69.91 3iwa h THR 302 CO -0.31 0.08 -0.01 0.61 -0.25 0.00 0.00 175.52 175.65 3iwa n GLY 303 N 1.09 0.40 3.64 5.82 0.00 -0.35 -5.01 105.19 110.78 3iwa n GLY 303 Ca 0.04 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3iwa n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwa s LYS 304 N -0.69 2.17 0.27 1.61 1.02 -1.24 -4.87 119.74 118.02 3iwa s LYS 304 Ca 0.00 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 3iwa s LYS 304 Cb 0.00 -2.04 -0.12 0.00 -0.52 0.00 0.00 37.83 35.15 3iwa s LYS 304 CO 0.00 0.23 1.56 -2.30 -0.92 0.00 0.00 175.35 173.92 3iwa n PRO 305 N -0.94 2.55 -4.44 -1.68 -0.02 -1.26 0.13 135.00 129.33 3iwa n PRO 305 Ca -0.05 0.91 -0.26 0.00 -2.02 0.00 0.00 63.50 62.07 3iwa n PRO 305 Cb 0.61 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3iwa n PRO 305 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iwa n GLY 306 N 2.29 3.28 2.80 -1.23 0.00 0.85 -4.63 105.19 108.56 3iwa n GLY 306 Ca 0.10 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 3iwa n GLY 306 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iwa s PHE 307 N -3.05 0.83 -0.54 1.61 5.36 -1.26 -1.99 117.98 118.93 3iwa s PHE 307 Ca 0.18 -0.28 0.06 0.00 -0.96 0.00 0.00 56.93 55.92 3iwa s PHE 307 Cb 0.01 -0.88 0.20 0.00 -0.34 0.00 0.00 43.02 42.01 3iwa s PHE 307 CO 0.13 -0.36 0.51 1.19 -1.46 0.00 0.00 175.22 175.22 3iwa n PHE 308 N 5.07 1.37 -1.54 10.12 3.72 -1.26 -4.99 117.46 129.95 3iwa n PHE 308 Ca -0.09 -3.83 -0.40 0.00 -0.05 0.00 0.00 57.45 53.08 3iwa n PHE 308 Cb 0.50 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3iwa n PHE 308 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3iwa n PRO 309 N 1.88 3.33 -4.44 -1.08 -0.04 -1.26 -4.75 135.00 128.65 3iwa n PRO 309 Ca 0.25 -2.44 -0.32 0.00 -0.04 0.00 0.00 63.50 60.96 3iwa n PRO 309 Cb 0.44 -3.02 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 3iwa n PRO 309 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iwa s LEU 310 N 1.04 3.13 0.11 1.53 1.43 -1.26 -4.99 118.68 119.68 3iwa s LEU 310 Ca 0.58 -0.19 -0.32 0.00 -1.03 0.00 0.00 54.13 53.18 3iwa s LEU 310 Cb 0.16 -1.81 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 3iwa s LEU 310 CO -0.07 0.27 1.51 1.23 0.23 0.00 0.00 176.35 179.52 3iwa h GLY 311 N 4.40 -1.12 -1.17 -3.19 0.00 -1.99 -2.69 103.07 97.31 3iwa h GLY 311 Ca -0.48 0.69 0.45 0.00 0.00 0.00 0.00 47.33 47.99 3iwa h GLY 311 CO 0.53 -0.22 1.06 1.48 0.00 0.00 0.00 176.54 179.39 3iwa h SER 312 N -0.53 0.10 -0.59 0.19 4.64 -1.96 -1.27 113.55 114.13 3iwa h SER 312 Ca 0.03 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 3iwa h SER 312 Cb 0.63 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 3iwa h SER 312 CO -0.42 -0.05 -0.03 0.24 -0.87 0.00 0.00 176.83 175.70 3iwa h MET 313 N 0.05 1.07 -0.41 4.77 2.86 -1.82 -3.31 114.93 118.15 3iwa h MET 313 Ca 0.78 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 58.11 3iwa h MET 313 Cb 2.88 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 34.39 3iwa h MET 313 CO -0.15 1.06 -0.30 0.00 1.06 0.00 0.00 176.91 178.58 3iwa h ALA 314 N 0.98 -0.39 -1.00 6.32 0.00 -1.36 0.26 119.26 124.08 3iwa h ALA 314 Ca 0.16 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3iwa h ALA 314 Cb 0.60 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 3iwa h ALA 314 CO 0.04 -0.58 0.66 -0.91 0.00 0.00 0.00 179.25 178.46 3iwa h ASN 315 N -0.08 1.10 -0.08 0.00 2.35 -1.75 0.13 115.58 117.25 3iwa h ASN 315 Ca 0.07 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3iwa h ASN 315 Cb 0.25 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3iwa h ASN 315 CO -0.42 0.76 -0.32 0.03 -1.65 0.00 0.00 177.43 175.82 3iwa h ARG 316 N 1.28 0.37 -0.17 0.81 3.08 -1.53 -2.38 114.38 115.84 3iwa h ARG 316 Ca 0.39 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 3iwa h ARG 316 Cb -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3iwa h ARG 316 CO -0.12 0.92 -0.45 1.96 -1.07 0.00 0.00 179.97 181.21 3iwa h GLN 317 N -0.11 0.42 -0.68 0.04 4.20 -0.81 -3.00 115.11 115.18 3iwa h GLN 317 Ca -0.02 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 3iwa h GLN 317 Cb 0.96 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3iwa h GLN 317 CO 0.07 0.79 0.33 0.78 -0.67 0.00 0.00 178.83 180.13 3iwa h GLY 318 N 1.16 1.04 0.98 3.46 0.00 -0.65 -0.50 103.07 108.57 3iwa h GLY 318 Ca 0.02 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3iwa h GLY 318 CO 0.08 0.49 0.19 -0.09 0.00 0.00 0.00 176.54 177.21 3iwa h ARG 319 N 0.94 0.42 -0.83 4.80 2.43 -1.30 0.22 114.38 121.06 3iwa h ARG 319 Ca 0.23 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3iwa h ARG 319 Cb 0.10 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3iwa h ARG 319 CO -0.03 0.31 0.39 0.28 -1.51 0.00 0.00 179.97 179.41 3iwa h VAL 320 N 0.40 1.26 -0.45 0.20 2.07 -1.35 -1.90 116.25 116.48 3iwa h VAL 320 Ca 0.11 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 3iwa h VAL 320 Cb -0.00 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3iwa h VAL 320 CO -0.02 0.32 0.02 0.40 0.02 0.00 0.00 177.57 178.31 3iwa h ILE 321 N 1.19 1.26 -0.59 4.57 2.04 -0.38 -1.40 117.51 124.19 3iwa h ILE 321 Ca 0.28 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.26 3iwa h ILE 321 Cb 0.14 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 3iwa h ILE 321 CO -0.03 0.35 0.06 1.23 0.00 0.00 0.00 178.15 179.75 3iwa h GLY 322 N 0.63 0.69 1.04 5.37 0.00 -0.13 0.42 103.07 111.09 3iwa h GLY 322 Ca 0.13 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3iwa h GLY 322 CO 0.02 -0.16 -0.13 -0.84 0.00 0.00 0.00 176.54 175.43 3iwa h THR 323 N 0.18 1.27 0.00 4.70 2.02 -1.20 -2.77 112.91 117.11 3iwa h THR 323 Ca 0.31 -1.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.10 3iwa h THR 323 Cb 0.49 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3iwa h THR 323 CO -0.46 0.43 -0.64 0.78 0.37 0.00 0.00 175.52 176.01 3iwa h ASN 324 N 0.72 0.00 -0.08 4.18 2.35 -0.78 0.02 115.58 122.00 3iwa h ASN 324 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3iwa h ASN 324 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 3iwa h ASN 324 CO 0.05 0.64 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.38 3iwa h LEU 325 N 0.00 0.23 -2.29 1.61 3.38 -0.86 -2.16 115.31 115.21 3iwa h LEU 325 Ca -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3iwa h LEU 325 Cb 1.20 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3iwa h LEU 325 CO 0.08 0.29 0.11 0.00 0.09 0.00 0.00 178.44 179.02 3iwa n ALA 326 N -2.50 3.28 -1.07 1.53 0.00 -0.95 -4.89 120.51 115.92 3iwa n ALA 326 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.58 3iwa n ALA 326 Cb 0.18 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 3iwa n ALA 326 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iwa n ASP 327 N 0.07 -3.85 -2.76 0.00 8.00 -0.81 -5.02 116.55 112.18 3iwa n ASP 327 Ca 0.15 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 3iwa n ASP 327 Cb 0.75 -1.57 0.08 0.00 -0.02 0.00 0.00 41.12 40.36 3iwa n ASP 327 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwa n GLY 328 N -1.95 -1.67 2.73 0.44 0.00 -0.05 -4.98 105.19 99.71 3iwa n GLY 328 Ca -0.02 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 3iwa n GLY 328 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iwa n ASP 329 N -3.43 1.29 -4.77 1.61 2.03 -1.26 -4.55 116.55 107.47 3iwa n ASP 329 Ca 0.06 -2.43 -0.39 0.00 0.52 0.00 0.00 54.79 52.55 3iwa n ASP 329 Cb 0.21 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.18 3iwa n ASP 329 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iwa s ALA 330 N -3.17 3.23 0.13 -1.67 0.00 -1.26 -5.07 121.76 113.95 3iwa s ALA 330 Ca 0.26 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.47 3iwa s ALA 330 Cb 0.41 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3iwa s ALA 330 CO 0.00 -0.74 -0.22 0.95 0.00 0.00 0.00 175.76 175.76 3iwa s THR 331 N -1.30 1.88 -0.17 0.00 -4.23 -1.26 -4.50 115.64 106.07 3iwa s THR 331 Ca 0.57 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.36 3iwa s THR 331 Cb -0.36 -1.74 0.05 0.00 1.34 0.00 0.00 72.50 71.78 3iwa s THR 331 CO 0.46 -0.10 -0.03 0.12 -0.54 0.00 0.00 174.62 174.53 3iwa s PHE 332 N -1.40 1.51 -0.20 3.99 5.36 0.45 -5.01 117.98 122.68 3iwa s PHE 332 Ca 0.11 -1.01 0.25 0.00 -0.96 0.00 0.00 56.93 55.32 3iwa s PHE 332 Cb -0.09 -1.22 0.65 0.00 -0.34 0.00 0.00 43.02 42.02 3iwa s PHE 332 CO 0.06 -0.60 1.72 -1.00 -1.46 0.00 0.00 175.22 173.93 3iwa h PRO 333 N 8.15 0.00 0.00 10.12 0.13 -1.98 -3.42 132.00 145.01 3iwa h PRO 333 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3iwa h PRO 333 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3iwa h PRO 333 CO 0.37 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 3iwa n GLY 334 N 0.72 0.83 3.25 1.56 0.00 -1.26 -4.49 105.19 105.80 3iwa n GLY 334 Ca 0.02 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 3iwa n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwa s ALA 335 N -1.19 -0.50 -0.50 4.61 0.00 -0.84 -4.94 121.76 118.40 3iwa s ALA 335 Ca 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 51.68 3iwa s ALA 335 Cb 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 23.12 23.57 3iwa s ALA 335 CO 0.00 -0.55 0.43 1.33 0.00 0.00 0.00 175.76 176.98 3iwa n VAL 336 N -0.06 0.00 -1.05 0.00 0.24 -1.26 0.42 118.33 116.62 3iwa n VAL 336 Ca -0.16 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3iwa n VAL 336 Cb 0.63 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 3iwa n VAL 336 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iwa n GLY 337 N 1.19 1.13 3.71 7.63 0.00 -1.26 -0.81 105.19 116.78 3iwa n GLY 337 Ca 0.02 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 3iwa n GLY 337 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iwa n SER 338 N 0.88 2.56 -3.51 1.61 7.64 -1.26 -4.28 113.62 117.25 3iwa n SER 338 Ca 0.00 1.07 -0.11 0.00 1.01 0.00 0.00 58.87 60.83 3iwa n SER 338 Cb 0.24 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 61.89 3iwa n SER 338 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3iwa s TRP 339 N -1.23 -0.39 -0.11 1.43 1.48 -0.34 -4.96 118.94 114.81 3iwa s TRP 339 Ca 0.64 0.14 -0.13 0.00 -1.06 0.00 0.00 56.10 55.69 3iwa s TRP 339 Cb -0.48 0.43 0.03 0.00 -1.16 0.00 0.00 33.47 32.30 3iwa s TRP 339 CO 0.56 -0.79 0.34 0.00 -4.06 0.00 0.00 176.95 173.00 3iwa s ALA 340 N -3.78 -0.84 -0.06 2.67 0.00 -1.26 -1.86 121.76 116.63 3iwa s ALA 340 Ca 0.02 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3iwa s ALA 340 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3iwa s ALA 340 CO -0.12 -0.18 -0.10 0.08 0.00 0.00 0.00 175.76 175.43 3iwa s VAL 341 N -0.12 0.96 -0.21 0.00 1.01 -0.12 -5.00 120.40 116.92 3iwa s VAL 341 Ca -0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 3iwa s VAL 341 Cb -0.03 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3iwa s VAL 341 CO 0.01 0.31 0.26 -0.75 0.00 0.00 0.00 175.10 174.93 3iwa s LYS 342 N 0.65 4.15 0.00 2.72 2.47 -1.26 -1.09 119.74 127.38 3iwa s LYS 342 Ca -0.12 -0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 3iwa s LYS 342 Cb -0.15 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.72 3iwa s LYS 342 CO 0.03 0.09 0.00 1.28 0.16 0.00 0.00 175.35 176.90 3iwa n LEU 343 N 4.13 0.00 0.19 5.43 4.77 -0.39 -4.90 117.00 126.23 3iwa n LEU 343 Ca -0.12 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 3iwa n LEU 343 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3iwa n LEU 343 CO 0.38 0.00 0.55 -0.26 -1.33 0.00 0.00 177.39 176.73 3iwa h PHE 344 N 0.00 -0.46 0.00 -1.77 0.04 -1.98 -3.41 116.94 109.37 3iwa h PHE 344 Ca 0.00 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 3iwa h PHE 344 Cb 0.00 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 3iwa h PHE 344 CO 0.00 -0.14 -1.32 0.39 -0.60 0.00 0.00 178.31 176.64 3iwa n GLU 345 N -5.19 0.32 -2.63 1.51 1.02 -1.26 -5.06 120.64 109.35 3iwa n GLU 345 Ca -0.10 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 56.86 3iwa n GLU 345 Cb 0.27 -1.11 0.04 0.00 -0.02 0.00 0.00 31.44 30.62 3iwa n GLU 345 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3iwa s GLY 346 N -4.49 1.82 0.04 0.62 0.00 -1.26 -4.60 107.32 99.45 3iwa s GLY 346 Ca -0.07 -1.37 0.06 0.00 0.00 0.00 0.00 44.72 43.34 3iwa s GLY 346 CO 0.13 -1.06 -0.17 -0.56 0.00 0.00 0.00 173.10 171.45 3iwa s SER 347 N -4.46 1.99 0.09 1.64 0.01 0.68 -1.26 113.70 112.40 3iwa s SER 347 Ca 0.58 -0.49 0.09 0.00 1.31 0.00 0.00 55.95 57.44 3iwa s SER 347 Cb -0.10 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 3iwa s SER 347 CO 0.39 0.08 -0.24 0.00 0.41 0.00 0.00 173.24 173.88 3iwa s ALA 348 N -0.85 2.11 0.12 1.44 0.00 -0.25 -1.53 121.76 122.80 3iwa s ALA 348 Ca 0.04 -1.31 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 3iwa s ALA 348 Cb -0.08 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3iwa s ALA 348 CO 0.02 0.47 0.50 0.45 0.00 0.00 0.00 175.76 177.20 3iwa s SER 349 N -1.75 -0.40 -0.06 0.00 0.15 -0.83 -0.95 113.70 109.86 3iwa s SER 349 Ca 0.11 -0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.39 3iwa s SER 349 Cb -0.10 0.53 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 3iwa s SER 349 CO 0.04 -0.87 1.20 0.61 1.20 0.00 0.00 173.24 175.42 3iwa n GLY 350 N -0.16 0.17 3.58 9.45 0.00 -0.78 -0.77 105.19 116.69 3iwa n GLY 350 Ca -0.17 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3iwa n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwa s ALA 351 N -1.90 -1.92 0.00 4.61 0.00 -0.31 -1.20 121.76 121.04 3iwa s ALA 351 Ca 0.28 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3iwa s ALA 351 Cb -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.36 3iwa s ALA 351 CO -0.02 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3iwa n GLY 352 N 1.01 -0.47 3.84 0.00 0.00 0.01 -2.01 105.19 107.57 3iwa n GLY 352 Ca -0.12 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3iwa n GLY 352 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwa s LEU 353 N 0.00 4.27 0.68 0.99 1.43 -0.04 -4.86 118.68 121.14 3iwa s LEU 353 Ca 0.00 1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 3iwa s LEU 353 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.68 3iwa s LEU 353 CO 0.00 0.00 1.02 0.42 0.23 0.00 0.00 176.35 178.02 3iwa s THR 354 N -1.62 3.10 0.16 5.49 -4.23 -1.26 -4.03 115.64 113.24 3iwa s THR 354 Ca 0.44 0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 3iwa s THR 354 Cb -0.14 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.42 3iwa s THR 354 CO 0.20 -0.36 1.76 1.62 -0.54 0.00 0.00 174.62 177.30 3iwa h VAL 355 N -0.53 0.93 -0.67 2.29 3.04 -1.94 0.30 116.25 119.67 3iwa h VAL 355 Ca -0.45 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.09 3iwa h VAL 355 Cb 1.28 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 3iwa h VAL 355 CO 0.62 0.06 0.30 -0.33 -1.01 0.00 0.00 177.57 177.21 3iwa h GLU 356 N 0.34 0.98 -0.58 4.17 3.07 -1.94 0.47 114.58 121.08 3iwa h GLU 356 Ca 0.17 -0.16 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3iwa h GLU 356 Cb 0.12 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 3iwa h GLU 356 CO -0.15 0.80 0.36 0.78 -1.40 0.00 0.00 179.01 179.40 3iwa h GLY 357 N 0.94 0.82 1.18 -3.84 0.00 -1.83 0.39 103.07 100.72 3iwa h GLY 357 Ca 0.23 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3iwa h GLY 357 CO -0.02 0.24 -0.27 0.00 0.00 0.00 0.00 176.54 176.49 3iwa h ALA 358 N 1.24 0.70 -0.70 3.60 0.00 0.39 -2.34 119.26 122.15 3iwa h ALA 358 Ca 0.23 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3iwa h ALA 358 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3iwa h ALA 358 CO -0.09 0.67 0.27 -0.07 0.00 0.00 0.00 179.25 180.04 3iwa h LEU 359 N 0.79 0.97 -1.55 0.00 3.38 0.22 -1.28 115.31 117.85 3iwa h LEU 359 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3iwa h LEU 359 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3iwa h LEU 359 CO 0.07 0.89 0.05 0.03 0.09 0.00 0.00 178.44 179.57 3iwa h ARG 360 N 1.00 0.35 0.00 1.13 3.08 0.00 0.19 114.38 120.14 3iwa h ARG 360 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3iwa h ARG 360 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3iwa h ARG 360 CO -0.02 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 179.60 3iwa n GLU 361 N -4.39 0.57 -1.41 0.04 -0.58 -0.90 -4.90 120.64 109.06 3iwa n GLU 361 Ca 0.01 0.02 -0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3iwa n GLU 361 Cb 0.16 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3iwa n GLU 361 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iwa n GLY 362 N 0.90 0.38 3.77 0.62 0.00 0.67 -5.05 105.19 106.47 3iwa n GLY 362 Ca 0.16 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3iwa n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwa s TYR 363 N -2.01 3.86 -1.21 1.61 2.02 -0.53 -4.97 117.35 116.12 3iwa s TYR 363 Ca 0.00 1.83 -0.19 0.00 -0.37 0.00 0.00 57.07 58.34 3iwa s TYR 363 Cb 0.00 -2.93 -0.02 0.00 -0.40 0.00 0.00 41.96 38.61 3iwa s TYR 363 CO 0.00 0.37 1.92 -3.47 -1.57 0.00 0.00 175.55 172.79 3iwa n ASP 364 N 1.12 3.83 -4.90 2.29 2.03 -1.26 -4.20 116.55 115.45 3iwa n ASP 364 Ca -0.01 -2.80 -0.28 0.00 0.52 0.00 0.00 54.79 52.22 3iwa n ASP 364 Cb 0.48 -1.63 -0.04 0.00 -0.72 0.00 0.00 41.12 39.22 3iwa n ASP 364 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iwa s ALA 365 N 6.03 3.90 -0.00 -1.67 0.00 -1.26 -1.60 121.76 127.15 3iwa s ALA 365 Ca 0.57 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.58 3iwa s ALA 365 Cb 0.06 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 3iwa s ALA 365 CO 0.07 0.64 -0.15 0.54 0.00 0.00 0.00 175.76 176.87 3iwa s VAL 366 N -1.64 1.17 -0.35 0.00 0.11 -0.42 -4.94 120.40 114.33 3iwa s VAL 366 Ca 0.34 -0.69 -0.14 0.00 -2.93 0.00 0.00 61.98 58.56 3iwa s VAL 366 Cb -0.12 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3iwa s VAL 366 CO 0.27 0.28 0.31 0.21 -3.33 0.00 0.00 175.10 172.84 3iwa s ASN 367 N -0.47 6.12 -0.22 3.54 3.04 -1.26 -1.87 114.94 123.83 3iwa s ASN 367 Ca 0.05 -0.38 -0.08 0.00 0.04 0.00 0.00 52.86 52.50 3iwa s ASN 367 Cb -0.06 -2.17 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 3iwa s ASN 367 CO -0.00 -0.31 0.08 -0.69 -3.04 0.00 0.00 177.10 173.14 3iwa s VAL 368 N 1.87 4.64 0.17 -5.21 1.01 -0.30 -4.94 120.40 117.64 3iwa s VAL 368 Ca 0.09 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3iwa s VAL 368 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3iwa s VAL 368 CO 0.11 0.39 -0.03 -1.38 0.00 0.00 0.00 175.10 174.19 3iwa s HIS 369 N 0.99 2.78 -0.07 5.22 -3.43 -1.26 -0.76 115.29 118.77 3iwa s HIS 369 Ca 0.04 -0.16 -0.06 0.00 -0.80 0.00 0.00 55.06 54.09 3iwa s HIS 369 Cb -0.14 -1.36 0.02 0.00 -1.43 0.00 0.00 32.58 29.68 3iwa s HIS 369 CO 0.03 0.51 0.18 0.08 -2.00 0.00 0.00 174.74 173.54 3iwa s VAL 370 N -1.70 -0.01 0.21 -5.38 1.01 -0.22 -5.00 120.40 109.31 3iwa s VAL 370 Ca 0.26 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.37 3iwa s VAL 370 Cb -0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 3iwa s VAL 370 CO 0.17 0.01 -0.18 -1.61 0.00 0.00 0.00 175.10 173.50 3iwa s GLU 371 N 0.32 1.40 0.18 2.72 8.01 -1.26 -1.28 118.70 128.79 3iwa s GLU 371 Ca -0.02 -1.56 0.00 0.00 0.01 0.00 0.00 54.97 53.40 3iwa s GLU 371 Cb -0.03 -1.39 0.00 0.00 -4.31 0.00 0.00 34.13 28.39 3iwa s GLU 371 CO -0.01 0.26 0.00 0.94 0.01 0.00 0.00 175.26 176.46 3iwa n GLN 372 N -0.15 0.00 -3.23 1.61 7.27 -1.26 -4.99 117.38 116.63 3iwa n GLN 372 Ca -0.09 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.58 3iwa n GLN 372 Cb 0.59 -0.12 -0.07 0.00 2.41 0.00 0.00 30.24 33.05 3iwa n GLN 372 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 3iwa s ILE 384 N -1.76 5.09 -0.06 1.69 -1.16 -1.26 -4.91 121.20 118.84 3iwa s ILE 384 Ca 0.00 0.97 -0.02 0.00 -0.51 0.00 0.00 60.65 61.09 3iwa s ILE 384 Cb 0.00 -3.85 0.04 0.00 0.61 0.00 0.00 42.46 39.26 3iwa s ILE 384 CO 0.00 0.15 0.12 -0.32 -2.81 0.00 0.00 174.94 172.08 3iwa s MET 385 N 1.79 0.05 -0.11 3.50 0.00 -1.26 -3.73 119.30 119.53 3iwa s MET 385 Ca 0.24 0.35 0.02 0.00 0.00 0.00 0.00 55.69 56.30 3iwa s MET 385 Cb -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 34.83 34.44 3iwa s MET 385 CO 0.10 -0.19 -0.17 0.99 0.00 0.00 0.00 175.02 175.74 3iwa s THR 386 N 1.34 2.71 0.03 10.11 2.01 -0.71 -4.26 115.64 126.87 3iwa s THR 386 Ca -0.07 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.20 3iwa s THR 386 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 3iwa s THR 386 CO -0.05 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.50 3iwa s LEU 387 N 0.25 2.69 -0.04 4.42 1.43 -0.41 -1.43 118.68 125.59 3iwa s LEU 387 Ca -0.12 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3iwa s LEU 387 Cb -0.16 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3iwa s LEU 387 CO 0.06 0.27 -0.15 -1.10 0.23 0.00 0.00 176.35 175.66 3iwa s GLN 388 N -1.37 1.60 -0.08 1.70 -0.21 0.15 -1.05 119.66 120.40 3iwa s GLN 388 Ca 0.15 -0.53 0.04 0.00 0.02 0.00 0.00 55.36 55.04 3iwa s GLN 388 Cb -0.11 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.50 3iwa s GLN 388 CO 0.05 0.20 -0.22 -1.17 -2.12 0.00 0.00 175.29 172.03 3iwa s LEU 389 N 0.12 2.01 -0.20 2.90 2.96 0.06 -1.17 118.68 125.36 3iwa s LEU 389 Ca -0.04 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 3iwa s LEU 389 Cb -0.11 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3iwa s LEU 389 CO 0.02 0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.51 3iwa s VAL 390 N 0.23 3.79 -0.03 1.68 1.01 0.37 -1.15 120.40 126.29 3iwa s VAL 390 Ca -0.13 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3iwa s VAL 390 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3iwa s VAL 390 CO 0.06 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 3iwa s VAL 391 N 1.10 1.02 -0.20 2.92 1.01 -0.78 0.54 120.40 126.00 3iwa s VAL 391 Ca 0.02 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 3iwa s VAL 391 Cb -0.14 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 3iwa s VAL 391 CO 0.01 0.31 0.92 -0.62 0.00 0.00 0.00 175.10 175.72 3iwa s ASP 392 N 0.16 7.00 0.10 3.32 2.15 0.99 -1.30 116.67 129.09 3iwa s ASP 392 Ca -0.04 1.24 -0.35 0.00 0.43 0.00 0.00 52.55 53.84 3iwa s ASP 392 Cb -0.10 -2.49 -0.15 0.00 -0.30 0.00 0.00 42.92 39.88 3iwa s ASP 392 CO 0.01 -0.53 1.56 0.03 -0.17 0.00 0.00 175.17 176.08 3iwa h ARG 393 N 7.45 -0.81 0.00 4.34 3.08 -1.62 -0.07 114.38 126.75 3iwa h ARG 393 Ca -0.24 0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3iwa h ARG 393 Cb 1.10 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3iwa h ARG 393 CO 0.90 -0.54 -0.33 -1.00 -1.07 0.00 0.00 179.97 177.93 3iwa h PRO 394 N -0.84 0.00 0.00 0.04 0.13 -1.94 -3.13 132.00 126.25 3iwa h PRO 394 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3iwa h PRO 394 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3iwa h PRO 394 CO -0.19 0.33 -1.72 0.25 -0.23 0.00 0.00 178.00 176.43 3iwa n THR 395 N -3.90 0.04 -1.60 1.56 -2.24 -1.22 -4.97 114.28 101.96 3iwa n THR 395 Ca -0.02 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 3iwa n THR 395 Cb 0.40 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3iwa n THR 395 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iwa n ARG 396 N -2.13 -1.20 -2.57 -0.78 1.74 -0.04 -4.94 116.66 106.73 3iwa n ARG 396 Ca -0.02 1.06 -0.39 0.00 -0.77 0.00 0.00 57.85 57.73 3iwa n ARG 396 Cb 0.52 -5.31 -0.05 0.00 -1.02 0.00 0.00 32.46 26.60 3iwa n ARG 396 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3iwa s ARG 397 N -3.61 4.52 -0.10 5.56 0.52 -1.21 -1.78 118.95 122.85 3iwa s ARG 397 Ca 0.00 1.61 -0.25 0.00 -0.52 0.00 0.00 55.73 56.57 3iwa s ARG 397 Cb 0.00 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3iwa s ARG 397 CO 0.00 0.16 0.79 0.08 0.02 0.00 0.00 175.30 176.35 3iwa s VAL 398 N -1.37 4.96 -0.46 3.52 1.01 -0.46 -0.01 120.40 127.59 3iwa s VAL 398 Ca 0.49 1.60 0.16 0.00 0.00 0.00 0.00 61.98 64.23 3iwa s VAL 398 Cb -0.26 -4.12 -0.20 0.00 0.00 0.00 0.00 36.38 31.79 3iwa s VAL 398 CO 0.34 0.15 0.55 0.18 0.00 0.00 0.00 175.10 176.32 3iwa n LEU 399 N 4.37 0.45 0.00 3.92 4.77 0.19 -4.74 117.00 125.96 3iwa n LEU 399 Ca 0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3iwa n LEU 399 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3iwa n LEU 399 CO 0.48 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3iwa n GLY 400 N 1.45 0.82 3.40 -0.72 0.00 -1.19 -0.87 105.19 108.09 3iwa n GLY 400 Ca 0.01 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 3iwa n GLY 400 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iwa s ILE 401 N -2.00 -0.01 0.14 -0.61 2.07 -0.85 -0.48 121.20 119.46 3iwa s ILE 401 Ca 0.00 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 3iwa s ILE 401 Cb 0.00 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3iwa s ILE 401 CO 0.00 0.01 0.03 -1.10 -1.91 0.00 0.00 174.94 171.97 3iwa s GLN 402 N 0.98 0.96 0.23 3.50 1.11 -0.32 -1.16 119.66 124.96 3iwa s GLN 402 Ca -0.06 -1.45 -0.23 0.00 0.01 0.00 0.00 55.36 53.63 3iwa s GLN 402 Cb -0.06 0.05 0.04 0.00 -1.01 0.00 0.00 33.01 32.04 3iwa s GLN 402 CO -0.09 -0.20 0.82 0.20 0.01 0.00 0.00 175.29 176.04 3iwa s GLY 403 N -3.08 -0.15 -0.03 3.09 0.00 0.05 -0.68 107.32 106.52 3iwa s GLY 403 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.79 3iwa s GLY 403 CO 0.01 -0.05 0.09 -0.12 0.00 0.00 0.00 173.10 173.04 3iwa s PHE 404 N -3.65 -0.06 -0.00 1.90 5.36 -0.51 -1.97 117.98 119.04 3iwa s PHE 404 Ca 0.11 0.16 -0.27 0.00 -0.96 0.00 0.00 56.93 55.97 3iwa s PHE 404 Cb -0.04 0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.71 3iwa s PHE 404 CO 0.05 -0.09 0.62 0.45 -1.46 0.00 0.00 175.22 174.79 3iwa s SER 405 N -0.23 -0.58 0.34 6.13 0.15 -0.58 -1.74 113.70 117.18 3iwa s SER 405 Ca -0.03 0.49 0.26 0.00 0.70 0.00 0.00 55.95 57.37 3iwa s SER 405 Cb -0.02 0.53 0.80 0.00 -1.71 0.00 0.00 66.02 65.61 3iwa s SER 405 CO 0.00 -0.67 1.75 0.71 1.20 0.00 0.00 173.24 176.23 3iwa h THR 406 N 2.88 0.00 -3.14 6.45 1.35 -1.81 0.19 112.91 118.83 3iwa h THR 406 Ca -0.29 -0.59 -0.73 0.00 -0.55 0.00 0.00 66.41 64.26 3iwa h THR 406 Cb 1.18 1.54 -0.22 0.00 -1.73 0.00 0.00 68.15 68.92 3iwa h THR 406 CO 0.39 0.00 -0.14 -0.76 -0.25 0.00 0.00 175.52 174.77 3iwa s LEU 407 N -5.27 5.65 0.06 3.87 1.43 -1.26 -4.81 118.68 118.34 3iwa s LEU 407 Ca 0.07 -1.43 -0.31 0.00 -1.03 0.00 0.00 54.13 51.43 3iwa s LEU 407 Cb 0.09 -2.26 -0.18 0.00 0.03 0.00 0.00 46.19 43.87 3iwa s LEU 407 CO 0.57 -0.86 1.54 1.23 0.23 0.00 0.00 176.35 179.07 3iwa h GLY 408 N 9.22 -0.87 1.35 -3.19 0.00 -1.93 -2.81 103.07 104.84 3iwa h GLY 408 Ca -0.29 0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3iwa h GLY 408 CO 0.99 -0.32 -0.04 -0.55 0.00 0.00 0.00 176.54 176.63 3iwa h ASP 409 N -0.90 0.76 -0.89 0.19 3.32 -1.97 -2.28 116.42 114.66 3iwa h ASP 409 Ca -0.09 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 3iwa h ASP 409 Cb 0.66 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3iwa h ASP 409 CO 0.14 0.85 0.55 0.00 -1.72 0.00 0.00 179.24 179.06 3iwa h ALA 410 N 1.23 1.13 -0.19 3.45 0.00 -1.98 -1.25 119.26 121.64 3iwa h ALA 410 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3iwa h ALA 410 Cb 0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iwa h ALA 410 CO 0.03 0.57 -0.15 1.25 0.00 0.00 0.00 179.25 180.95 3iwa h LEU 411 N 1.21 0.47 -0.72 0.00 5.85 -1.32 -3.10 115.31 117.69 3iwa h LEU 411 Ca 0.32 -0.46 0.14 0.00 0.84 0.00 0.00 57.88 58.73 3iwa h LEU 411 Cb -0.07 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.73 3iwa h LEU 411 CO -0.06 0.82 0.23 0.74 -0.34 0.00 0.00 178.44 179.83 3iwa h THR 412 N 0.11 0.61 0.00 1.05 2.02 -1.26 0.22 112.91 115.67 3iwa h THR 412 Ca 0.04 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3iwa h THR 412 Cb 0.68 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3iwa h THR 412 CO 0.04 0.06 -0.05 0.00 0.37 0.00 0.00 175.52 175.95 3iwa h ALA 413 N 1.56 1.90 0.06 6.16 0.00 -1.16 0.18 119.26 127.96 3iwa h ALA 413 Ca 0.40 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 3iwa h ALA 413 Cb 0.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iwa h ALA 413 CO -0.44 0.06 -0.83 0.00 0.00 0.00 0.00 179.25 178.05 3iwa h ARG 414 N 0.00 0.13 -0.79 0.00 -0.00 -1.17 -3.13 114.38 109.43 3iwa h ARG 414 Ca -0.00 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.98 59.24 3iwa h ARG 414 Cb 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.10 3iwa h ARG 414 CO 0.01 1.11 0.42 0.82 0.00 0.00 0.00 179.97 182.32 3iwa h ILE 415 N -0.67 1.24 -0.67 2.04 1.08 -0.33 -3.04 117.51 117.16 3iwa h ILE 415 Ca -0.19 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.68 3iwa h ILE 415 Cb 1.41 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 3iwa h ILE 415 CO 0.00 0.27 0.44 0.78 -0.69 0.00 0.00 178.15 178.95 3iwa h ASN 416 N 1.10 0.75 -0.68 1.72 2.35 -0.78 0.23 115.58 120.27 3iwa h ASN 416 Ca 0.28 -0.01 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 3iwa h ASN 416 Cb 0.05 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.16 3iwa h ASN 416 CO -0.04 0.54 0.27 0.00 -1.65 0.00 0.00 177.43 176.54 3iwa h ALA 417 N 1.26 0.91 0.13 -0.83 0.00 -1.47 -2.58 119.26 116.67 3iwa h ALA 417 Ca 0.25 0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.95 3iwa h ALA 417 Cb -0.07 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3iwa h ALA 417 CO -0.07 -0.17 -1.52 0.28 0.00 0.00 0.00 179.25 177.77 3iwa h VAL 418 N 0.45 1.17 -0.72 0.00 2.07 -1.47 -3.35 116.25 114.41 3iwa h VAL 418 Ca 0.35 -2.80 0.05 0.00 0.82 0.00 0.00 66.70 65.12 3iwa h VAL 418 Cb 0.46 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 3iwa h VAL 418 CO -0.34 0.82 0.43 0.00 0.02 0.00 0.00 177.57 178.51 3iwa h ALA 419 N 0.47 0.96 0.00 1.67 0.00 -0.18 0.27 119.26 122.45 3iwa h ALA 419 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iwa h ALA 419 Cb 2.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3iwa h ALA 419 CO 0.17 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.83 3iwa n THR 420 N -4.71 0.75 0.04 0.00 -2.24 -1.01 -2.47 114.28 104.65 3iwa n THR 420 Ca 0.09 0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.95 3iwa n THR 420 Cb 0.14 -0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 3iwa n THR 420 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3iwa h MET 421 N 0.00 0.00 -0.86 -0.78 2.86 -1.10 -3.41 114.93 111.63 3iwa h MET 421 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3iwa h MET 421 Cb 0.42 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 3iwa h MET 421 CO 0.00 0.52 0.51 -0.07 1.06 0.00 0.00 176.91 178.93 3iwa h LEU 422 N 0.00 0.76 -2.21 1.22 3.38 -1.02 -0.89 115.31 116.55 3iwa h LEU 422 Ca -0.14 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3iwa h LEU 422 Cb 1.70 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 3iwa h LEU 422 CO 0.07 0.45 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 3iwa h ALA 423 N 1.45 1.56 -0.04 1.53 0.00 -1.79 -1.19 119.26 120.77 3iwa h ALA 423 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3iwa h ALA 423 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iwa h ALA 423 CO -0.23 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.51 3iwa n SER 424 N -3.95 0.54 -3.15 0.00 7.64 -0.34 -4.94 113.62 109.42 3iwa n SER 424 Ca -0.03 -1.45 -0.14 0.00 1.01 0.00 0.00 58.87 58.26 3iwa n SER 424 Cb 0.13 -0.03 0.07 0.00 -1.01 0.00 0.00 64.21 63.37 3iwa n SER 424 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iwa n LYS 425 N -0.46 -2.87 -1.56 1.43 5.02 -0.45 -4.98 118.16 114.29 3iwa n LYS 425 Ca 0.16 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.93 3iwa n LYS 425 Cb 0.16 -5.56 0.07 0.00 -0.02 0.00 0.00 35.03 29.68 3iwa n LYS 425 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3iwa s PRO 426 N -4.48 2.55 0.53 1.97 0.04 -1.26 -4.90 135.00 129.45 3iwa s PRO 426 Ca 0.35 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.79 3iwa s PRO 426 Cb -0.05 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.60 3iwa s PRO 426 CO 0.69 -1.44 0.38 0.95 0.04 0.00 0.00 177.00 177.61 3iwa s THR 427 N -2.50 1.69 0.35 1.26 -4.23 -1.26 -1.35 115.64 109.60 3iwa s THR 427 Ca 0.66 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 3iwa s THR 427 Cb -0.20 -2.21 0.27 0.00 1.34 0.00 0.00 72.50 71.70 3iwa s THR 427 CO 0.47 0.00 2.00 0.58 -0.54 0.00 0.00 174.62 177.12 3iwa h VAL 428 N 0.81 1.14 -0.49 2.29 2.07 -1.69 -0.38 116.25 120.01 3iwa h VAL 428 Ca -0.37 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3iwa h VAL 428 Cb 1.30 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3iwa h VAL 428 CO 0.58 0.16 0.23 -0.08 0.02 0.00 0.00 177.57 178.48 3iwa h GLU 429 N 0.87 0.68 0.00 1.57 4.81 -1.88 0.98 114.58 121.61 3iwa h GLU 429 Ca 0.25 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3iwa h GLU 429 Cb -0.04 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3iwa h GLU 429 CO -0.06 0.54 -0.35 -0.44 -0.73 0.00 0.00 179.01 177.97 3iwa h ASP 430 N 0.69 0.00 0.21 1.04 3.32 -1.45 -0.43 116.42 119.80 3iwa h ASP 430 Ca 0.17 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.93 3iwa h ASP 430 Cb 0.09 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.67 3iwa h ASP 430 CO -0.02 0.35 -1.33 0.40 -1.72 0.00 0.00 179.24 176.91 3iwa h ILE 431 N 0.00 1.29 -0.96 0.35 1.08 -1.15 -0.68 117.51 117.44 3iwa h ILE 431 Ca -0.00 -2.62 0.16 0.00 -0.39 0.00 0.00 64.86 62.01 3iwa h ILE 431 Cb 0.68 3.04 -0.10 0.00 -3.07 0.00 0.00 36.82 37.37 3iwa h ILE 431 CO 0.05 0.78 0.56 0.28 -0.69 0.00 0.00 178.15 179.13 3iwa h SER 432 N -0.02 0.74 -0.18 1.72 0.02 -0.62 -2.73 113.55 112.49 3iwa h SER 432 Ca -0.24 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3iwa h SER 432 Cb 2.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3iwa h SER 432 CO 0.22 0.31 0.00 0.59 -1.14 0.00 0.00 176.83 176.81 3iwa n ASN 433 N -4.76 2.88 -4.64 3.07 3.02 -0.19 -4.76 115.26 109.88 3iwa n ASN 433 Ca 0.20 -1.92 -0.48 0.00 -0.03 0.00 0.00 54.58 52.36 3iwa n ASN 433 Cb 0.48 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 3iwa n ASN 433 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwa n ALA 434 N 1.18 0.44 -2.38 5.41 0.00 -0.26 -4.80 120.51 120.09 3iwa n ALA 434 Ca 0.17 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 3iwa n ALA 434 Cb 0.55 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3iwa n ALA 434 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3iwa n GLU 435 N 2.79 4.30 -2.89 0.00 2.13 -1.26 -4.90 120.64 120.82 3iwa n GLU 435 Ca 0.16 -3.82 -0.35 0.00 0.66 0.00 0.00 57.16 53.81 3iwa n GLU 435 Cb 0.26 -2.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.20 3iwa n GLU 435 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3iwa s VAL 436 N -1.23 4.37 0.00 6.31 -7.23 -1.26 -5.21 120.40 116.15 3iwa s VAL 436 Ca 0.43 1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 62.13 3iwa s VAL 436 Cb 0.13 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 3iwa s VAL 436 CO -0.02 -0.01 0.77 0.52 -0.31 0.00 0.00 175.10 176.05 3iwa n VAL 437 N 0.16 0.49 -2.22 1.32 0.31 -1.26 -5.07 118.33 112.06 3iwa n VAL 437 Ca 0.03 -0.20 -0.29 0.00 -0.01 0.00 0.00 64.34 63.87 3iwa n VAL 437 Cb 0.52 -1.36 0.02 0.00 -0.91 0.00 0.00 33.84 32.10 3iwa n VAL 437 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iwa s MET 446 N 2.14 3.29 0.48 5.55 0.00 -1.26 -5.16 119.30 124.33 3iwa s MET 446 Ca 0.07 0.36 -0.23 0.00 0.00 0.00 0.00 55.69 55.89 3iwa s MET 446 Cb 0.03 -2.20 -0.07 0.00 0.00 0.00 0.00 34.83 32.59 3iwa s MET 446 CO 0.00 -0.58 1.23 0.34 0.00 0.00 0.00 175.02 176.01 3iwa s ASP 447 N -4.22 5.96 0.52 -1.18 -1.08 -1.26 -4.84 116.67 110.56 3iwa s ASP 447 Ca 0.53 2.46 0.16 0.00 -0.52 0.00 0.00 52.55 55.19 3iwa s ASP 447 Cb -0.11 -2.62 1.27 0.00 -1.46 0.00 0.00 42.92 40.01 3iwa s ASP 447 CO 0.49 -1.08 2.14 -0.29 0.52 0.00 0.00 175.17 176.95 3iwa h ILE 448 N 1.83 0.99 -0.33 4.11 2.10 -2.01 -1.20 117.51 123.01 3iwa h ILE 448 Ca -0.50 -0.06 -0.03 0.00 1.08 0.00 0.00 64.86 65.35 3iwa h ILE 448 Cb 1.26 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 38.01 3iwa h ILE 448 CO 0.60 0.02 0.08 0.58 -1.08 0.00 0.00 178.15 178.35 3iwa h VAL 449 N 0.00 1.22 -0.64 2.19 2.07 -1.93 -0.04 116.25 119.12 3iwa h VAL 449 Ca -0.00 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3iwa h VAL 449 Cb 0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3iwa h VAL 449 CO 0.00 0.24 0.26 0.78 0.02 0.00 0.00 177.57 178.87 3iwa h ASN 450 N 0.37 0.88 -0.93 0.57 -0.26 -1.52 -2.61 115.58 112.08 3iwa h ASN 450 Ca 0.10 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3iwa h ASN 450 Cb 0.29 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.27 3iwa h ASN 450 CO 0.00 0.81 0.60 0.58 -1.06 0.00 0.00 177.43 178.36 3iwa h VAL 451 N 0.89 1.25 -0.75 2.81 2.07 -0.88 -1.10 116.25 120.54 3iwa h VAL 451 Ca 0.21 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3iwa h VAL 451 Cb 0.20 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 3iwa h VAL 451 CO -0.02 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.20 3iwa h ALA 452 N 1.38 0.97 -0.45 1.67 0.00 -0.74 -0.75 119.26 121.33 3iwa h ALA 452 Ca 0.34 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3iwa h ALA 452 Cb -0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3iwa h ALA 452 CO -0.07 0.50 0.08 0.78 0.00 0.00 0.00 179.25 180.55 3iwa h GLY 453 N 1.05 0.74 0.75 0.00 0.00 -0.99 -1.59 103.07 103.03 3iwa h GLY 453 Ca 0.26 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3iwa h GLY 453 CO -0.04 0.40 -0.19 3.43 0.00 0.00 0.00 176.54 180.14 3iwa h ASN 454 N 0.67 0.41 -1.00 0.19 2.35 -0.51 -1.81 115.58 115.88 3iwa h ASN 454 Ca 0.15 -0.51 0.03 0.00 -0.55 0.00 0.00 56.30 55.41 3iwa h ASN 454 Cb 0.29 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3iwa h ASN 454 CO 0.00 0.84 0.66 0.58 -1.65 0.00 0.00 177.43 177.87 3iwa h VAL 455 N -0.01 1.21 -0.53 2.81 2.07 -1.13 -0.03 116.25 120.64 3iwa h VAL 455 Ca 0.02 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 3iwa h VAL 455 Cb 0.75 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3iwa h VAL 455 CO 0.04 0.24 -0.11 0.00 0.02 0.00 0.00 177.57 177.76 3iwa h ALA 456 N 1.39 0.80 -0.73 1.67 0.00 -1.25 0.53 119.26 121.67 3iwa h ALA 456 Ca 0.38 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iwa h ALA 456 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3iwa h ALA 456 CO -0.11 0.67 0.21 0.22 0.00 0.00 0.00 179.25 180.24 3iwa h ASP 457 N 0.89 1.07 -0.09 0.00 3.58 -1.08 -0.35 116.42 120.43 3iwa h ASP 457 Ca 0.14 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 3iwa h ASP 457 Cb 0.67 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 3iwa h ASP 457 CO 0.05 1.01 0.03 0.78 -2.88 0.00 0.00 179.24 178.22 3iwa h ASN 458 N 1.08 0.12 -0.50 2.28 2.35 -0.65 -2.46 115.58 117.81 3iwa h ASN 458 Ca 0.23 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3iwa h ASN 458 Cb 0.33 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3iwa h ASN 458 CO -0.00 0.28 0.26 0.58 -1.65 0.00 0.00 177.43 176.89 3iwa h VAL 459 N -0.04 0.98 0.00 2.81 2.07 0.13 -2.12 116.25 120.09 3iwa h VAL 459 Ca 0.03 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3iwa h VAL 459 Cb 0.19 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3iwa h VAL 459 CO -0.00 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 3iwa h LEU 460 N 0.52 0.00 -1.29 2.57 3.38 -1.02 -3.51 115.31 115.97 3iwa h LEU 460 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3iwa h LEU 460 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3iwa h LEU 460 CO -0.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.39