#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwa s ARG 9 N 0.00 3.12 0.05 3.17 3.52 -1.26 -4.44 118.95 123.11 1iwa s ARG 9 Ca 0.00 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 54.53 1iwa s ARG 9 Cb 0.00 -2.69 -0.07 0.00 -1.56 0.00 0.00 34.95 30.62 1iwa s ARG 9 CO 0.00 -0.18 1.55 0.42 -0.81 0.00 0.00 175.30 176.28 1iwa s ILE 10 N 1.29 3.28 -0.36 4.11 -1.09 -1.26 -4.92 121.20 122.24 1iwa s ILE 10 Ca 0.04 0.72 0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1iwa s ILE 10 Cb -0.14 -3.46 0.64 0.00 -1.58 0.00 0.00 42.46 37.92 1iwa s ILE 10 CO -0.09 0.00 1.75 0.35 -1.23 0.00 0.00 174.94 175.72 1iwa n THR 11 N 4.66 2.92 -1.68 2.92 -2.24 -1.26 -4.93 114.28 114.67 1iwa n THR 11 Ca 0.15 -2.07 -0.31 0.00 -2.27 0.00 0.00 64.05 59.55 1iwa n THR 11 Cb 0.42 -0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1iwa n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1iwa s GLN 12 N -3.19 3.10 0.00 -0.78 -0.21 -1.26 -4.79 119.66 112.53 1iwa s GLN 12 Ca 0.53 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.76 1iwa s GLN 12 Cb 0.44 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 32.44 1iwa s GLN 12 CO 0.09 -0.95 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 1iwa n GLY 13 N -2.28 2.03 0.20 3.09 0.00 -1.26 -4.51 105.19 102.46 1iwa n GLY 13 Ca 0.07 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.41 1iwa n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1iwa h THR 14 N 0.00 1.26 0.00 2.61 2.02 -1.21 -3.31 112.91 114.27 1iwa h THR 14 Ca 0.00 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1iwa h THR 14 Cb 0.00 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1iwa h THR 14 CO 0.00 0.35 -0.15 0.49 0.37 0.00 0.00 175.52 176.58 1iwa n PHE 15 N -4.12 0.00 0.26 3.16 3.72 -1.26 -4.80 117.46 114.42 1iwa n PHE 15 Ca -0.02 -0.90 0.03 0.00 -0.05 0.00 0.00 57.45 56.51 1iwa n PHE 15 Cb 0.39 -0.15 0.14 0.00 -0.94 0.00 0.00 39.48 38.92 1iwa n PHE 15 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1iwa n SER 16 N -1.15 0.00 -0.49 4.37 7.64 -1.25 -0.86 113.62 121.88 1iwa n SER 16 Ca 0.14 0.27 0.13 0.00 1.01 0.00 0.00 58.87 60.42 1iwa n SER 16 Cb 0.67 -0.34 0.28 0.00 -1.01 0.00 0.00 64.21 63.81 1iwa n SER 16 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iwa n PHE 17 N -1.34 0.00 -4.13 1.43 3.72 -1.26 -4.85 117.46 111.03 1iwa n PHE 17 Ca 0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 1iwa n PHE 17 Cb 0.05 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 1iwa n PHE 17 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iwa s LEU 18 N -2.28 3.65 0.58 4.37 1.43 -0.04 -5.09 118.68 121.30 1iwa s LEU 18 Ca 0.27 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 1iwa s LEU 18 Cb 0.20 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1iwa s LEU 18 CO 0.45 -0.06 1.27 -2.65 0.23 0.00 0.00 176.35 175.59 1iwa n PRO 19 N -1.13 1.39 -1.60 1.29 -0.02 -1.26 -4.83 135.00 128.84 1iwa n PRO 19 Ca -0.07 0.52 -0.56 0.00 -2.02 0.00 0.00 63.50 61.37 1iwa n PRO 19 Cb 0.58 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1iwa n PRO 19 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1iwa n ASP 20 N -1.18 1.26 -4.75 2.55 8.00 -1.26 -4.85 116.55 116.32 1iwa n ASP 20 Ca 0.13 1.13 -0.37 0.00 0.71 0.00 0.00 54.79 56.38 1iwa n ASP 20 Cb 0.46 -1.08 0.04 0.00 -0.02 0.00 0.00 41.12 40.51 1iwa n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iwa s LEU 21 N 1.00 3.77 0.36 0.64 1.43 -1.26 -5.03 118.68 119.60 1iwa s LEU 21 Ca 0.90 2.60 -0.06 0.00 -1.03 0.00 0.00 54.13 56.54 1iwa s LEU 21 Cb -1.10 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 40.65 1iwa s LEU 21 CO 0.55 -1.59 0.66 0.42 0.23 0.00 0.00 176.35 176.62 1iwa s THR 22 N -1.41 4.94 0.59 5.49 -4.23 -1.26 -4.85 115.64 114.90 1iwa s THR 22 Ca 0.74 0.20 0.29 0.00 -1.18 0.00 0.00 61.69 61.74 1iwa s THR 22 Cb -0.36 -3.77 0.37 0.00 1.34 0.00 0.00 72.50 70.08 1iwa s THR 22 CO 0.41 -0.50 2.02 0.44 -0.54 0.00 0.00 174.62 176.46 1iwa h ASP 23 N 1.21 0.00 -0.07 3.99 3.32 -1.98 0.36 116.42 123.26 1iwa h ASP 23 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1iwa h ASP 23 Cb 1.19 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.75 1iwa h ASP 23 CO 0.64 0.00 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.36 1iwa h GLU 24 N 0.00 0.44 -0.41 3.56 4.39 -1.98 -0.58 114.58 120.00 1iwa h GLU 24 Ca 0.13 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 1iwa h GLU 24 Cb 0.74 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1iwa h GLU 24 CO -0.00 1.02 0.09 1.96 -1.16 0.00 0.00 179.01 180.92 1iwa h GLN 25 N -0.02 0.66 -0.78 2.33 4.20 -1.13 -2.20 115.11 118.18 1iwa h GLN 25 Ca -0.04 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.54 1iwa h GLN 25 Cb 1.13 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 1iwa h GLN 25 CO 0.10 0.69 0.49 0.82 -0.67 0.00 0.00 178.83 180.26 1iwa h ILE 26 N 0.52 1.09 -0.92 2.54 2.04 -0.46 -1.20 117.51 121.12 1iwa h ILE 26 Ca 0.13 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.78 1iwa h ILE 26 Cb 0.34 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1iwa h ILE 26 CO 0.00 0.17 0.56 0.50 0.00 0.00 0.00 178.15 179.38 1iwa h LYS 27 N 0.94 0.87 -0.53 2.37 3.11 -0.66 -0.59 116.57 122.08 1iwa h LYS 27 Ca 0.32 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.99 1iwa h LYS 27 Cb 0.06 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 1iwa h LYS 27 CO -0.13 0.58 -0.14 0.87 -2.81 0.00 0.00 179.45 177.81 1iwa h LYS 28 N 0.90 1.02 -0.86 1.90 1.57 -0.64 -2.33 116.57 118.13 1iwa h LYS 28 Ca 0.45 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1iwa h LYS 28 Cb 0.44 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1iwa h LYS 28 CO -0.26 1.09 0.44 1.96 -0.57 0.00 0.00 179.45 182.10 1iwa h GLN 29 N 0.90 1.22 -0.17 3.15 1.08 -0.53 -0.65 115.11 120.11 1iwa h GLN 29 Ca 0.13 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1iwa h GLN 29 Cb 0.72 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1iwa h GLN 29 CO 0.06 0.92 -0.02 0.82 -0.95 0.00 0.00 178.83 179.65 1iwa h ILE 30 N 1.21 1.13 -0.04 2.54 2.04 -0.96 -0.30 117.51 123.13 1iwa h ILE 30 Ca 0.30 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1iwa h ILE 30 Cb 0.08 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1iwa h ILE 30 CO -0.04 0.17 0.02 0.44 0.00 0.00 0.00 178.15 178.73 1iwa h ASP 31 N 0.25 0.06 -0.80 1.72 3.32 -0.60 -0.38 116.42 119.99 1iwa h ASP 31 Ca 0.06 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.02 1iwa h ASP 31 Cb 0.21 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1iwa h ASP 31 CO 0.01 0.21 0.46 0.22 -1.72 0.00 0.00 179.24 178.42 1iwa h TYR 32 N -0.10 0.85 -0.33 4.55 3.20 -0.42 -1.24 116.97 123.48 1iwa h TYR 32 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1iwa h TYR 32 Cb 0.17 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1iwa h TYR 32 CO -0.02 0.38 0.08 0.52 -1.64 0.00 0.00 178.16 177.48 1iwa h MET 33 N 0.81 0.52 -0.89 1.82 2.86 -0.85 -2.40 114.93 116.82 1iwa h MET 33 Ca 0.37 -0.13 0.09 0.00 -2.06 0.00 0.00 59.70 57.97 1iwa h MET 33 Cb 0.27 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1iwa h MET 33 CO -0.21 0.59 0.57 0.82 1.06 0.00 0.00 176.91 179.74 1iwa h ILE 34 N 0.37 0.98 0.00 -1.22 2.04 -0.26 -0.62 117.51 118.80 1iwa h ILE 34 Ca 0.10 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1iwa h ILE 34 Cb 0.30 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1iwa h ILE 34 CO 0.00 0.16 -0.33 0.77 0.00 0.00 0.00 178.15 178.76 1iwa h SER 35 N 0.90 0.00 -0.34 1.72 4.64 -0.90 -2.45 113.55 117.12 1iwa h SER 35 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1iwa h SER 35 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1iwa h SER 35 CO -0.17 0.33 0.00 0.29 -0.87 0.00 0.00 176.83 176.41 1iwa n LYS 36 N -3.51 2.48 -3.47 4.77 4.76 -0.27 -4.90 118.16 118.02 1iwa n LYS 36 Ca -0.00 -1.52 -0.24 0.00 -2.87 0.00 0.00 58.31 53.68 1iwa n LYS 36 Cb 0.48 -1.61 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1iwa n LYS 36 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1iwa n LYS 37 N 0.47 -2.91 -2.21 1.97 4.01 -0.92 -4.93 118.16 113.65 1iwa n LYS 37 Ca 0.14 0.36 -0.29 0.00 -0.51 0.00 0.00 58.31 58.01 1iwa n LYS 37 Cb 0.54 -5.02 0.02 0.00 -0.51 0.00 0.00 35.03 30.06 1iwa n LYS 37 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1iwa s LEU 38 N -6.45 3.24 -0.12 -0.35 1.43 -1.05 -4.81 118.68 110.57 1iwa s LEU 38 Ca 0.43 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.47 1iwa s LEU 38 Cb -0.24 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 1iwa s LEU 38 CO 0.53 -0.97 0.18 0.00 0.23 0.00 0.00 176.35 176.31 1iwa s ALA 39 N -3.07 3.81 -0.18 4.21 0.00 0.52 -4.80 121.76 122.25 1iwa s ALA 39 Ca 0.54 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1iwa s ALA 39 Cb -0.11 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1iwa s ALA 39 CO 0.49 0.49 -0.04 0.42 0.00 0.00 0.00 175.76 177.12 1iwa s ILE 40 N -0.70 3.66 0.18 0.00 1.01 0.22 0.03 121.20 125.60 1iwa s ILE 40 Ca 0.15 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.48 1iwa s ILE 40 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1iwa s ILE 40 CO 0.04 0.46 -0.21 -0.83 0.00 0.00 0.00 174.94 174.40 1iwa s GLY 41 N 0.83 1.55 -0.11 6.18 0.00 -0.12 0.17 107.32 115.83 1iwa s GLY 41 Ca -0.01 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.15 1iwa s GLY 41 CO 0.02 -1.61 -0.15 -0.42 0.00 0.00 0.00 173.10 170.94 1iwa s ILE 42 N -1.88 1.49 0.12 0.90 1.01 -1.26 -0.86 121.20 120.71 1iwa s ILE 42 Ca 0.18 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1iwa s ILE 42 Cb -0.07 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1iwa s ILE 42 CO 0.08 0.44 -0.09 -1.61 0.00 0.00 0.00 174.94 173.77 1iwa s GLU 43 N 1.08 0.94 0.19 2.79 2.02 -0.97 -0.28 118.70 124.46 1iwa s GLU 43 Ca -0.05 -1.36 -0.16 0.00 0.02 0.00 0.00 54.97 53.42 1iwa s GLU 43 Cb -0.15 -0.43 0.02 0.00 0.10 0.00 0.00 34.13 33.68 1iwa s GLU 43 CO -0.03 0.04 0.48 1.52 0.02 0.00 0.00 175.26 177.29 1iwa s TYR 44 N -3.33 -0.05 -0.08 1.61 -0.85 0.81 -1.17 117.35 114.27 1iwa s TYR 44 Ca 0.13 -0.29 -0.32 0.00 -0.52 0.00 0.00 57.07 56.07 1iwa s TYR 44 Cb 0.03 0.32 0.12 0.00 0.38 0.00 0.00 41.96 42.81 1iwa s TYR 44 CO -0.02 -0.88 1.17 0.95 -1.52 0.00 0.00 175.55 175.25 1iwa s THR 45 N -3.88 0.00 -0.30 -3.49 -4.23 -0.76 0.12 115.64 103.10 1iwa s THR 45 Ca 0.10 -0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.59 1iwa s THR 45 Cb -0.00 -1.38 0.47 0.00 1.34 0.00 0.00 72.50 72.93 1iwa s THR 45 CO -0.03 0.00 1.16 -0.46 -0.54 0.00 0.00 174.62 174.75 1iwa n ASN 46 N -0.26 4.19 -3.12 3.99 0.23 -1.26 -0.17 115.26 118.86 1iwa n ASN 46 Ca -0.04 -3.39 -0.19 0.00 -0.53 0.00 0.00 54.58 50.42 1iwa n ASN 46 Cb 0.60 -0.38 -0.05 0.00 -2.08 0.00 0.00 39.78 37.87 1iwa n ASN 46 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1iwa n ASP 47 N -0.66 -1.09 -0.94 0.53 4.64 -1.26 -4.67 116.55 113.09 1iwa n ASP 47 Ca 0.36 -2.72 0.00 0.00 -1.38 0.00 0.00 54.79 51.05 1iwa n ASP 47 Cb 0.91 0.15 0.00 0.00 -1.04 0.00 0.00 41.12 41.14 1iwa n ASP 47 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1iwa n ILE 48 N 2.15 0.55 -1.69 5.18 -6.64 -1.26 -4.84 119.36 112.80 1iwa n ILE 48 Ca 0.22 0.00 -0.44 0.00 -1.77 0.00 0.00 62.75 60.75 1iwa n ILE 48 Cb 0.53 -0.75 -0.03 0.00 -1.44 0.00 0.00 39.64 37.95 1iwa n ILE 48 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1iwa n HIS 49 N 0.63 2.46 0.21 4.28 -0.00 -1.26 -4.81 115.22 116.73 1iwa n HIS 49 Ca 0.00 0.23 0.12 0.00 0.46 0.00 0.00 57.72 58.53 1iwa n HIS 49 Cb 0.29 -2.57 0.62 0.00 -0.12 0.00 0.00 29.99 28.21 1iwa n HIS 49 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1iwa h PRO 50 N 5.72 0.00 -0.65 1.57 0.13 -1.97 -1.61 132.00 135.19 1iwa h PRO 50 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1iwa h PRO 50 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1iwa h PRO 50 CO 0.87 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 1iwa n ARG 51 N -2.32 2.65 -2.82 0.86 5.12 -1.26 -4.72 116.66 114.16 1iwa n ARG 51 Ca -0.01 -2.54 -0.43 0.00 -1.93 0.00 0.00 57.85 52.94 1iwa n ARG 51 Cb 0.07 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 1iwa n ARG 51 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1iwa s ASN 64 N -1.13 6.55 0.36 0.55 2.47 -0.61 -4.83 114.94 118.30 1iwa s ASN 64 Ca 0.46 -1.78 0.26 0.00 0.42 0.00 0.00 52.86 52.23 1iwa s ASN 64 Cb 0.25 -2.45 0.78 0.00 -1.45 0.00 0.00 41.25 38.38 1iwa s ASN 64 CO 0.33 -1.22 1.75 0.00 -3.72 0.00 0.00 177.10 174.24 1iwa h ALA 65 N 9.16 1.00 -3.27 1.71 0.00 -1.87 -3.40 119.26 122.59 1iwa h ALA 65 Ca 0.12 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.38 1iwa h ALA 65 Cb 1.03 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.42 1iwa h ALA 65 CO 1.20 0.00 -0.54 0.71 0.00 0.00 0.00 179.25 180.62 1iwa s TYR 66 N -3.27 3.32 0.78 0.00 2.02 -1.26 -5.08 117.35 113.85 1iwa s TYR 66 Ca 0.07 -3.10 -0.11 0.00 -0.37 0.00 0.00 57.07 53.55 1iwa s TYR 66 Cb 0.09 -2.90 0.06 0.00 -0.40 0.00 0.00 41.96 38.80 1iwa s TYR 66 CO 0.58 -0.73 1.08 -1.58 -1.57 0.00 0.00 175.55 173.33 1iwa s TRP 67 N -0.48 2.82 0.20 2.71 0.52 -1.26 -4.95 118.94 118.49 1iwa s TRP 67 Ca 0.19 1.29 -0.31 0.00 0.02 0.00 0.00 56.10 57.29 1iwa s TRP 67 Cb -0.21 -3.04 -0.09 0.00 -1.15 0.00 0.00 33.47 28.97 1iwa s TRP 67 CO -0.04 -1.69 1.44 -1.21 0.02 0.00 0.00 176.95 175.47 1iwa s GLU 68 N -5.06 4.28 0.11 4.98 0.41 0.33 -4.70 118.70 119.05 1iwa s GLU 68 Ca 0.60 2.24 -0.27 0.00 -0.41 0.00 0.00 54.97 57.13 1iwa s GLU 68 Cb -0.15 -3.16 -0.06 0.00 -1.78 0.00 0.00 34.13 28.98 1iwa s GLU 68 CO 0.55 -0.44 0.84 0.42 -0.49 0.00 0.00 175.26 176.14 1iwa s ILE 69 N 0.50 4.51 -0.73 -1.63 1.01 -1.26 -0.14 121.20 123.46 1iwa s ILE 69 Ca 0.62 1.82 -0.13 0.00 0.00 0.00 0.00 60.65 62.96 1iwa s ILE 69 Cb -0.41 -4.20 0.19 0.00 0.01 0.00 0.00 42.46 38.05 1iwa s ILE 69 CO 0.37 0.40 0.66 0.86 0.00 0.00 0.00 174.94 177.23 1iwa s TRP 70 N -0.41 3.61 0.00 3.97 -0.11 0.61 -4.94 118.94 121.68 1iwa s TRP 70 Ca 0.40 -1.91 0.00 0.00 1.22 0.00 0.00 56.10 55.81 1iwa s TRP 70 Cb -0.22 -3.74 0.00 0.00 -1.50 0.00 0.00 33.47 28.00 1iwa s TRP 70 CO 0.27 -0.98 0.00 0.41 -4.62 0.00 0.00 176.95 172.02 1iwa n GLY 71 N 4.23 -0.01 3.84 5.86 0.00 -1.26 -4.57 105.19 113.29 1iwa n GLY 71 Ca 0.06 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1iwa n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iwa s LEU 72 N 0.00 3.94 0.61 0.99 2.96 -1.26 -4.99 118.68 120.94 1iwa s LEU 72 Ca 0.00 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 1iwa s LEU 72 Cb 0.00 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1iwa s LEU 72 CO 0.00 0.04 1.16 -2.16 -1.32 0.00 0.00 176.35 174.07 1iwa s PRO 73 N -3.29 2.93 -0.20 0.98 0.04 -1.26 -4.89 135.00 129.31 1iwa s PRO 73 Ca 0.32 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.81 1iwa s PRO 73 Cb -0.10 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1iwa s PRO 73 CO 0.25 -1.20 0.52 -0.51 0.04 0.00 0.00 177.00 176.10 1iwa s LEU 74 N -4.35 4.15 0.00 -3.56 1.02 0.13 -4.89 118.68 111.18 1iwa s LEU 74 Ca 0.73 0.68 0.00 0.00 0.02 0.00 0.00 54.13 55.56 1iwa s LEU 74 Cb -0.26 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.24 1iwa s LEU 74 CO 0.35 -0.18 0.00 0.49 0.02 0.00 0.00 176.35 177.03 1iwa n PHE 75 N 4.78 0.00 -1.76 0.29 3.72 -1.26 -0.61 117.46 122.62 1iwa n PHE 75 Ca -0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.95 1iwa n PHE 75 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1iwa n PHE 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1iwa n ASP 76 N -0.80 7.27 -4.75 4.37 8.00 -1.26 -4.62 116.55 124.76 1iwa n ASP 76 Ca 0.00 -2.89 -0.41 0.00 0.71 0.00 0.00 54.79 52.21 1iwa n ASP 76 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 39.58 1iwa n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1iwa s VAL 77 N 0.92 3.12 0.00 2.53 1.01 -1.26 -4.92 120.40 121.79 1iwa s VAL 77 Ca 0.57 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1iwa s VAL 77 Cb 0.16 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1iwa s VAL 77 CO -0.07 0.21 0.00 0.41 0.00 0.00 0.00 175.10 175.65 1iwa n THR 78 N 1.62 0.00 -4.07 3.92 -1.04 -1.26 -4.90 114.28 108.55 1iwa n THR 78 Ca 0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 1iwa n THR 78 Cb 0.43 0.12 -0.15 0.00 -1.82 0.00 0.00 70.33 68.91 1iwa n THR 78 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iwa s ASP 79 N -1.55 4.13 0.54 8.00 2.15 -1.26 -5.00 116.67 123.67 1iwa s ASP 79 Ca 0.00 -1.23 0.22 0.00 0.43 0.00 0.00 52.55 51.98 1iwa s ASP 79 Cb 0.00 -1.50 1.39 0.00 -0.30 0.00 0.00 42.92 42.51 1iwa s ASP 79 CO 0.00 -0.15 2.07 1.55 -0.17 0.00 0.00 175.17 178.46 1iwa h PRO 80 N 7.82 0.00 -0.93 4.34 0.13 -1.92 -1.81 132.00 139.63 1iwa h PRO 80 Ca -0.24 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1iwa h PRO 80 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1iwa h PRO 80 CO 0.49 0.00 0.61 0.00 -0.23 0.00 0.00 178.00 178.87 1iwa h ALA 81 N 1.84 1.35 -0.59 -0.56 0.00 -1.95 -0.18 119.26 119.17 1iwa h ALA 81 Ca 0.13 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1iwa h ALA 81 Cb 0.56 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1iwa h ALA 81 CO -0.00 0.59 0.35 0.00 0.00 0.00 0.00 179.25 180.20 1iwa h ALA 82 N 1.43 0.77 -0.18 0.00 0.00 -1.76 0.14 119.26 119.66 1iwa h ALA 82 Ca 0.34 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1iwa h ALA 82 Cb -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1iwa h ALA 82 CO -0.08 0.08 -0.11 0.28 0.00 0.00 0.00 179.25 179.41 1iwa h VAL 83 N 0.69 1.32 -0.14 0.00 2.07 -1.50 -2.76 116.25 115.93 1iwa h VAL 83 Ca 0.24 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.60 1iwa h VAL 83 Cb 0.05 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1iwa h VAL 83 CO -0.11 0.36 0.12 0.25 0.02 0.00 0.00 177.57 178.20 1iwa h LEU 84 N 0.07 0.00 0.09 2.57 5.85 -0.61 -1.65 115.31 121.63 1iwa h LEU 84 Ca 0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1iwa h LEU 84 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1iwa h LEU 84 CO 0.03 0.00 -0.04 0.15 -0.34 0.00 0.00 178.44 178.24 1iwa h PHE 85 N 0.00 -0.11 -0.55 1.25 3.57 -0.43 -2.35 116.94 118.30 1iwa h PHE 85 Ca 0.07 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 1iwa h PHE 85 Cb 0.30 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1iwa h PHE 85 CO 0.00 -0.04 -0.09 0.93 -2.23 0.00 0.00 178.31 176.88 1iwa h GLU 86 N -0.16 1.03 -0.79 1.11 4.39 -1.32 0.75 114.58 119.60 1iwa h GLU 86 Ca -0.01 -0.37 0.14 0.00 0.34 0.00 0.00 59.36 59.46 1iwa h GLU 86 Cb 0.12 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.61 1iwa h GLU 86 CO 0.02 1.06 0.37 0.82 -1.16 0.00 0.00 179.01 180.11 1iwa h ILE 87 N 0.92 0.70 -0.02 3.13 2.04 -1.22 0.53 117.51 123.59 1iwa h ILE 87 Ca 0.15 -0.18 -0.23 0.00 1.00 0.00 0.00 64.86 65.60 1iwa h ILE 87 Cb 0.65 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1iwa h ILE 87 CO 0.04 0.10 -0.92 0.78 0.00 0.00 0.00 178.15 178.15 1iwa h ASN 88 N 0.53 0.63 -0.50 1.72 -0.26 -1.14 -0.94 115.58 115.62 1iwa h ASN 88 Ca 0.43 -0.49 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 1iwa h ASN 88 Cb 0.62 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.65 1iwa h ASN 88 CO -0.37 1.28 0.25 0.00 -1.06 0.00 0.00 177.43 177.52 1iwa h ALA 89 N 0.69 0.63 -0.32 -0.83 0.00 0.14 0.13 119.26 119.71 1iwa h ALA 89 Ca -0.08 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1iwa h ALA 89 Cb 1.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1iwa h ALA 89 CO 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.33 1iwa h ARG 91 N 0.35 0.82 -0.47 0.00 3.08 -0.53 0.64 114.38 118.27 1iwa h ARG 91 Ca 0.09 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1iwa h ARG 91 Cb 0.40 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1iwa h ARG 91 CO 0.01 0.54 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.18 1iwa h LYS 92 N 0.84 0.86 0.00 0.04 3.11 -0.73 -2.00 116.57 118.70 1iwa h LYS 92 Ca 0.50 -0.30 -0.06 0.00 -2.81 0.00 0.00 60.65 57.97 1iwa h LYS 92 Cb 0.60 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1iwa h LYS 92 CO -0.31 0.93 -0.38 0.00 -2.81 0.00 0.00 179.45 176.88 1iwa h ALA 93 N 0.90 0.79 -2.04 5.00 0.00 -0.35 -3.37 119.26 120.20 1iwa h ALA 93 Ca 0.13 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1iwa h ALA 93 Cb 0.58 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.93 1iwa h ALA 93 CO 0.03 0.36 -0.93 0.54 0.00 0.00 0.00 179.25 179.25 1iwa n ARG 94 N -3.13 2.12 -0.17 0.00 5.12 0.21 -4.96 116.66 115.85 1iwa n ARG 94 Ca 0.02 -4.09 -0.11 0.00 -1.93 0.00 0.00 57.85 51.75 1iwa n ARG 94 Cb 0.65 -1.94 -0.07 0.00 -1.16 0.00 0.00 32.46 29.94 1iwa n ARG 94 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1iwa h SER 95 N 2.97 -1.66 -1.12 0.55 0.02 -1.53 -2.77 113.55 110.00 1iwa h SER 95 Ca 0.11 0.24 -0.58 0.00 -0.84 0.00 0.00 61.79 60.73 1iwa h SER 95 Cb 0.78 0.71 -0.22 0.00 0.14 0.00 0.00 62.40 63.80 1iwa h SER 95 CO 0.66 -0.37 0.70 -0.46 -1.14 0.00 0.00 176.83 176.22 1iwa n ASN 96 N -5.39 7.10 -4.28 3.07 6.94 -1.26 -4.67 115.26 116.77 1iwa n ASN 96 Ca -0.01 -3.50 -0.16 0.00 -0.02 0.00 0.00 54.58 50.90 1iwa n ASN 96 Cb 0.34 -1.08 -0.10 0.00 -2.36 0.00 0.00 39.78 36.59 1iwa n ASN 96 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1iwa s PHE 97 N -2.93 1.42 0.24 -2.53 0.40 -1.05 -4.75 117.98 108.78 1iwa s PHE 97 Ca 0.53 -0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 55.93 1iwa s PHE 97 Cb 0.40 -0.70 -0.09 0.00 0.51 0.00 0.00 43.02 43.15 1iwa s PHE 97 CO -0.15 0.18 0.83 0.71 0.70 0.00 0.00 175.22 177.48 1iwa s TYR 98 N -3.12 3.76 -0.01 0.36 1.51 0.76 -4.25 117.35 116.36 1iwa s TYR 98 Ca 0.18 1.63 0.03 0.00 -1.01 0.00 0.00 57.07 57.89 1iwa s TYR 98 Cb 0.01 -2.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.07 1iwa s TYR 98 CO 0.03 0.35 -0.08 0.42 -1.11 0.00 0.00 175.55 175.16 1iwa s ILE 99 N -1.42 0.67 0.04 2.71 1.01 -0.84 -1.83 121.20 121.53 1iwa s ILE 99 Ca 0.43 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1iwa s ILE 99 Cb -0.20 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1iwa s ILE 99 CO 0.24 0.19 -0.02 -1.59 0.00 0.00 0.00 174.94 173.77 1iwa s LYS 100 N -0.15 0.49 -0.15 2.79 -2.85 -0.32 0.02 119.74 119.56 1iwa s LYS 100 Ca 0.03 -0.92 -0.03 0.00 -1.00 0.00 0.00 55.97 54.04 1iwa s LYS 100 Cb -0.04 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1iwa s LYS 100 CO -0.00 -0.09 -0.06 0.08 0.10 0.00 0.00 175.35 175.38 1iwa s VAL 101 N -2.78 3.71 -0.03 1.79 1.01 0.21 -2.29 120.40 122.01 1iwa s VAL 101 Ca -0.04 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1iwa s VAL 101 Cb -0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1iwa s VAL 101 CO -0.06 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.62 1iwa s VAL 102 N 0.35 2.27 -0.25 2.92 1.01 -0.04 -1.49 120.40 125.17 1iwa s VAL 102 Ca -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1iwa s VAL 102 Cb -0.15 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1iwa s VAL 102 CO 0.04 0.58 -0.03 -0.83 0.00 0.00 0.00 175.10 174.85 1iwa s GLY 103 N -0.54 1.65 -0.18 4.51 0.00 0.02 -0.94 107.32 111.85 1iwa s GLY 103 Ca 0.08 -1.41 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 1iwa s GLY 103 CO 0.00 0.53 0.07 -0.12 0.00 0.00 0.00 173.10 173.58 1iwa s PHE 104 N 1.38 3.27 -0.00 1.90 5.36 0.10 -0.47 117.98 129.52 1iwa s PHE 104 Ca 0.02 0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 1iwa s PHE 104 Cb -0.16 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1iwa s PHE 104 CO -0.03 0.19 0.10 0.45 -1.46 0.00 0.00 175.22 174.47 1iwa s SER 105 N 0.27 5.80 -0.04 6.13 0.15 -0.60 -0.36 113.70 125.05 1iwa s SER 105 Ca 0.04 0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.95 1iwa s SER 105 Cb -0.12 -1.69 0.22 0.00 -1.71 0.00 0.00 66.02 62.71 1iwa s SER 105 CO 0.00 0.27 1.17 -1.20 1.20 0.00 0.00 173.24 174.68 1iwa n SER 106 N 1.12 2.64 -4.76 5.45 7.64 -1.26 -2.14 113.62 122.30 1iwa n SER 106 Ca -0.12 -2.29 -0.41 0.00 1.01 0.00 0.00 58.87 57.05 1iwa n SER 106 Cb 0.53 -0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1iwa n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1iwa s VAL 107 N -1.51 2.17 0.21 0.44 1.01 -1.26 -4.59 120.40 116.87 1iwa s VAL 107 Ca 0.18 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1iwa s VAL 107 Cb 0.13 -3.10 0.24 0.00 0.00 0.00 0.00 36.38 33.65 1iwa s VAL 107 CO 0.07 0.03 1.42 -1.14 0.00 0.00 0.00 175.10 175.48 1iwa n ARG 107 N 1.50 -0.20 0.22 2.72 0.63 -1.26 -0.77 116.66 119.50 1iwa n ARG 107 Ca 0.05 1.41 0.09 0.00 -0.92 0.00 0.00 57.85 58.47 1iwa n ARG 107 Cb 0.39 -2.09 0.46 0.00 0.45 0.00 0.00 32.46 31.67 1iwa n ARG 107 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1iwa h GLY 107 N 0.00 0.00 0.00 5.14 0.00 -2.01 -3.38 103.07 102.82 1iwa h GLY 107 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1iwa h GLY 107 CO -0.91 0.00 -0.06 1.39 0.00 0.00 0.00 176.54 176.96 1iwa n ILE 108 N -3.51 0.14 -4.15 2.60 -0.00 0.05 -4.99 119.36 109.50 1iwa n ILE 108 Ca -0.00 0.47 -0.35 0.00 -0.00 0.00 0.00 62.75 62.86 1iwa n ILE 108 Cb 0.42 -1.59 -0.04 0.00 -0.00 0.00 0.00 39.64 38.43 1iwa n ILE 108 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1iwa n GLU 109 N -2.54 -1.06 -3.80 0.38 1.02 -0.50 -4.91 120.64 109.23 1iwa n GLU 109 Ca -0.01 0.15 -0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1iwa n GLU 109 Cb 0.03 -3.40 -0.01 0.00 -0.02 0.00 0.00 31.44 28.04 1iwa n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iwa s SER 110 N -4.06 -0.17 0.28 1.62 0.15 -0.91 -4.97 113.70 105.64 1iwa s SER 110 Ca 0.19 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 56.01 1iwa s SER 110 Cb -0.10 0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 64.68 1iwa s SER 110 CO 0.97 -1.08 1.41 -0.89 1.20 0.00 0.00 173.24 174.86 1iwa s THR 111 N -3.27 2.60 -0.03 6.45 2.01 -1.26 -1.56 115.64 120.57 1iwa s THR 111 Ca 0.13 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.72 1iwa s THR 111 Cb -0.03 -3.34 0.08 0.00 0.01 0.00 0.00 72.50 69.21 1iwa s THR 111 CO 0.04 0.10 0.96 2.30 -0.69 0.00 0.00 174.62 177.34 1iwa n ILE 112 N 1.78 1.00 -3.65 1.82 -5.35 0.38 -4.90 119.36 110.44 1iwa n ILE 112 Ca 0.05 -1.10 -0.04 0.00 -0.27 0.00 0.00 62.75 61.38 1iwa n ILE 112 Cb 0.40 0.38 -0.07 0.00 -1.74 0.00 0.00 39.64 38.62 1iwa n ILE 112 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1iwa s ILE 113 N -1.26 0.00 -0.29 7.28 2.07 -1.24 -4.97 121.20 122.79 1iwa s ILE 113 Ca 0.08 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1iwa s ILE 113 Cb 0.07 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.83 1iwa s ILE 113 CO 0.01 0.00 0.59 -0.55 -1.91 0.00 0.00 174.94 173.08 1iwa s SER 114 N 0.08 -1.14 0.08 4.50 0.15 -1.26 -0.80 113.70 115.32 1iwa s SER 114 Ca 0.06 1.05 0.05 0.00 0.70 0.00 0.00 55.95 57.82 1iwa s SER 114 Cb -0.05 2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 66.32 1iwa s SER 114 CO -0.13 -0.25 -0.14 0.72 1.20 0.00 0.00 173.24 174.64 1iwa s PHE 115 N 2.84 1.23 0.23 3.44 -0.71 -0.56 -0.62 117.98 123.83 1iwa s PHE 115 Ca 0.11 -0.50 -0.30 0.00 -1.04 0.00 0.00 56.93 55.20 1iwa s PHE 115 Cb -0.14 -0.68 -0.09 0.00 -1.21 0.00 0.00 43.02 40.91 1iwa s PHE 115 CO -0.20 0.07 1.10 0.42 -1.34 0.00 0.00 175.22 175.27 1iwa s ILE 116 N -1.60 3.67 -0.04 -4.49 -1.09 -1.26 -0.62 121.20 115.77 1iwa s ILE 116 Ca 0.01 1.56 0.05 0.00 -2.23 0.00 0.00 60.65 60.04 1iwa s ILE 116 Cb -0.08 -3.99 0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1iwa s ILE 116 CO 0.02 0.32 0.94 1.33 -1.23 0.00 0.00 174.94 176.32 1iwa n VAL 117 N 1.76 0.68 -3.65 2.92 0.24 0.10 -4.73 118.33 115.65 1iwa n VAL 117 Ca 0.01 -0.78 -0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1iwa n VAL 117 Cb 0.45 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.16 1iwa n VAL 117 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1iwa s ASN 118 N -1.31 -0.02 0.04 -1.34 3.84 -1.15 -4.87 114.94 110.14 1iwa s ASN 118 Ca 0.09 0.03 0.02 0.00 0.21 0.00 0.00 52.86 53.21 1iwa s ASN 118 Cb 0.08 0.38 -0.02 0.00 -0.55 0.00 0.00 41.25 41.13 1iwa s ASN 118 CO 0.01 -0.00 -0.07 -0.13 -2.79 0.00 0.00 177.10 174.11 1iwa s ARG 119 N 0.36 0.52 0.90 0.43 0.52 -1.26 -1.98 118.95 118.44 1iwa s ARG 119 Ca 0.02 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.36 1iwa s ARG 119 Cb -0.04 -0.26 0.13 0.00 0.52 0.00 0.00 34.95 35.30 1iwa s ARG 119 CO -0.14 0.04 1.09 -1.25 0.02 0.00 0.00 175.30 175.06 1iwa s PRO 120 N -1.60 1.23 0.52 3.54 0.04 -1.26 -4.84 135.00 132.63 1iwa s PRO 120 Ca -0.10 0.94 0.18 0.00 0.04 0.00 0.00 61.00 62.06 1iwa s PRO 120 Cb -0.10 -1.80 1.28 0.00 0.04 0.00 0.00 34.50 33.93 1iwa s PRO 120 CO 0.00 -2.29 2.11 0.87 0.04 0.00 0.00 177.00 177.73 1iwa h LYS 121 N -1.59 0.02 -2.88 4.56 1.57 -1.91 -3.42 116.57 112.92 1iwa h LYS 121 Ca -0.49 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.13 1iwa h LYS 121 Cb 1.28 -0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.30 1iwa h LYS 121 CO 0.53 0.01 -0.41 -1.58 -0.57 0.00 0.00 179.45 177.43 1iwa s HIS 122 N -5.07 -0.43 -0.38 -1.35 5.04 -1.26 -5.13 115.29 106.70 1iwa s HIS 122 Ca -0.05 0.98 -0.07 0.00 -1.54 0.00 0.00 55.06 54.38 1iwa s HIS 122 Cb 0.18 0.13 0.07 0.00 0.04 0.00 0.00 32.58 33.00 1iwa s HIS 122 CO 0.69 -0.27 0.18 -2.00 -2.34 0.00 0.00 174.74 170.99 1iwa s GLU 123 N 1.29 2.48 0.55 2.88 2.56 -1.26 -4.90 118.70 122.30 1iwa s GLU 123 Ca -0.09 -1.43 0.22 0.00 0.00 0.00 0.00 54.97 53.68 1iwa s GLU 123 Cb -0.09 -3.59 1.52 0.00 2.00 0.00 0.00 34.13 33.96 1iwa s GLU 123 CO -0.10 -0.86 2.19 -1.35 -0.56 0.00 0.00 175.26 174.58 1iwa h PRO 124 N 8.25 0.00 0.00 4.30 0.11 -2.00 0.22 132.00 142.88 1iwa h PRO 124 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1iwa h PRO 124 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1iwa h PRO 124 CO 0.68 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 1iwa n GLY 125 N -1.45 -1.79 3.54 -0.55 0.00 -1.26 -4.62 105.19 99.07 1iwa n GLY 125 Ca -0.03 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1iwa n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iwa s PHE 126 N 0.00 2.59 -0.06 1.61 0.40 -1.26 -2.20 117.98 119.06 1iwa s PHE 126 Ca 0.00 -0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1iwa s PHE 126 Cb 0.00 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1iwa s PHE 126 CO 0.00 0.48 0.16 1.21 0.70 0.00 0.00 175.22 177.77 1iwa s ASN 127 N -2.61 6.34 -0.30 1.36 2.47 0.91 -4.89 114.94 118.22 1iwa s ASN 127 Ca 0.23 0.39 0.03 0.00 0.42 0.00 0.00 52.86 53.93 1iwa s ASN 127 Cb -0.09 -2.01 0.08 0.00 -1.45 0.00 0.00 41.25 37.78 1iwa s ASN 127 CO 0.13 0.33 -0.01 -0.22 -3.72 0.00 0.00 177.10 173.62 1iwa s LEU 128 N -1.51 3.77 0.25 3.21 2.96 -1.26 -1.91 118.68 124.18 1iwa s LEU 128 Ca 0.21 -1.73 -0.27 0.00 -0.22 0.00 0.00 54.13 52.12 1iwa s LEU 128 Cb -0.12 -1.45 -0.09 0.00 0.50 0.00 0.00 46.19 45.03 1iwa s LEU 128 CO 0.12 -0.31 0.90 -0.04 -1.32 0.00 0.00 176.35 175.70 1iwa s MET 129 N 1.11 4.69 -0.49 1.98 -1.94 0.11 -4.94 119.30 119.83 1iwa s MET 129 Ca 0.03 1.34 0.03 0.00 -1.71 0.00 0.00 55.69 55.38 1iwa s MET 129 Cb -0.19 -3.12 0.13 0.00 2.01 0.00 0.00 34.83 33.67 1iwa s MET 129 CO -0.09 0.45 0.26 1.03 -0.01 0.00 0.00 175.02 176.66 1iwa s ARG 130 N -1.47 1.72 -0.46 2.03 0.52 -1.26 -2.74 118.95 117.30 1iwa s ARG 130 Ca 0.43 -2.40 -0.24 0.00 -0.52 0.00 0.00 55.73 53.00 1iwa s ARG 130 Cb -0.23 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.32 1iwa s ARG 130 CO 0.28 -1.13 0.84 -1.14 0.02 0.00 0.00 175.30 174.17 1iwa s GLN 131 N -0.07 3.45 -0.06 3.54 -0.44 -1.04 -4.94 119.66 120.10 1iwa s GLN 131 Ca 0.17 -0.01 -0.30 0.00 -2.50 0.00 0.00 55.36 52.73 1iwa s GLN 131 Cb -0.25 -3.94 -0.05 0.00 -1.64 0.00 0.00 33.01 27.13 1iwa s GLN 131 CO -0.00 -1.16 1.64 -1.21 0.50 0.00 0.00 175.29 175.05 1iwa s GLU 132 N 3.47 4.18 0.00 1.67 2.02 -1.26 -1.14 118.70 127.63 1iwa s GLU 132 Ca 0.33 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1iwa s GLU 132 Cb -0.11 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.14 1iwa s GLU 132 CO 0.24 -0.85 0.00 -3.47 0.02 0.00 0.00 175.26 171.20 1iwa n ASP 133 N 7.13 0.00 -4.77 -0.19 2.03 -0.23 -4.94 116.55 115.58 1iwa n ASP 133 Ca 0.17 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.09 1iwa n ASP 133 Cb 0.43 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 1iwa n ASP 133 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1iwa s LYS 134 N 4.98 4.24 2.22 -0.67 1.02 -1.26 -4.71 119.74 125.56 1iwa s LYS 134 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1iwa s LYS 134 Cb 0.00 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1iwa s LYS 134 CO 0.00 -0.19 0.00 0.43 -0.92 0.00 0.00 175.35 174.67 1iwa n SER 135 N 0.49 0.00 -0.74 2.83 7.64 -1.26 -0.58 113.62 122.00 1iwa n SER 135 Ca 0.02 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.00 1iwa n SER 135 Cb 0.45 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.71 1iwa n SER 135 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iwa n ARG 136 N 8.43 1.80 -1.87 1.43 5.12 -1.26 -5.01 116.66 125.30 1iwa n ARG 136 Ca 0.00 -1.55 -0.36 0.00 -1.93 0.00 0.00 57.85 54.01 1iwa n ARG 136 Cb 0.00 -1.40 0.05 0.00 -1.16 0.00 0.00 32.46 29.95 1iwa n ARG 136 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1iwa s SER 137 N -1.87 4.91 -0.01 0.55 0.01 0.26 -4.89 113.70 112.65 1iwa s SER 137 Ca 0.23 2.44 0.02 0.00 1.31 0.00 0.00 55.95 59.95 1iwa s SER 137 Cb 0.17 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.80 1iwa s SER 137 CO 0.32 -1.79 -0.08 -0.63 0.41 0.00 0.00 173.24 171.47 1iwa s ILE 138 N -1.61 0.70 -0.41 1.44 1.01 -1.26 -1.06 121.20 120.01 1iwa s ILE 138 Ca 0.78 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 1iwa s ILE 138 Cb -0.32 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.58 1iwa s ILE 138 CO 0.36 0.21 0.28 -0.54 0.00 0.00 0.00 174.94 175.26 1iwa s LYS 139 N -0.02 2.91 0.36 2.79 -0.14 -0.30 -4.93 119.74 120.42 1iwa s LYS 139 Ca 0.01 -1.09 -0.13 0.00 -1.36 0.00 0.00 55.97 53.40 1iwa s LYS 139 Cb -0.05 -3.92 -0.08 0.00 -1.68 0.00 0.00 37.83 32.10 1iwa s LYS 139 CO -0.00 -0.78 0.75 0.71 -0.76 0.00 0.00 175.35 175.27 1iwa s TYR 140 N 1.63 3.42 -0.06 3.18 1.51 -1.26 -2.50 117.35 123.27 1iwa s TYR 140 Ca 0.04 1.13 -0.02 0.00 -1.01 0.00 0.00 57.07 57.20 1iwa s TYR 140 Cb -0.20 -2.49 0.04 0.00 -0.11 0.00 0.00 41.96 39.20 1iwa s TYR 140 CO 0.08 -0.00 0.13 0.99 -1.11 0.00 0.00 175.55 175.64 1iwa s THR 141 N -2.17 -0.09 -0.08 -0.71 2.01 -1.11 -4.99 115.64 108.50 1iwa s THR 141 Ca 0.53 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1iwa s THR 141 Cb -0.10 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1iwa s THR 141 CO 0.24 0.09 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.53 1iwa s ILE 142 N 1.40 3.37 -0.20 1.82 1.01 -1.26 -0.71 121.20 126.64 1iwa s ILE 142 Ca -0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 1iwa s ILE 142 Cb -0.12 -2.38 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1iwa s ILE 142 CO -0.05 0.57 0.47 -2.28 0.00 0.00 0.00 174.94 173.65 1iwa s HIS 143 N -0.42 -0.71 0.32 3.97 2.46 -0.80 -4.98 115.29 115.12 1iwa s HIS 143 Ca 0.06 1.49 -0.29 0.00 0.47 0.00 0.00 55.06 56.79 1iwa s HIS 143 Cb -0.12 0.35 -0.10 0.00 -0.13 0.00 0.00 32.58 32.58 1iwa s HIS 143 CO 0.02 -0.39 1.25 -1.54 -2.47 0.00 0.00 174.74 171.62 1iwa s SER 144 N 1.49 6.87 0.47 9.88 1.04 -1.26 -0.06 113.70 132.12 1iwa s SER 144 Ca -0.09 2.58 0.12 0.00 0.48 0.00 0.00 55.95 59.04 1iwa s SER 144 Cb -0.08 -2.64 1.09 0.00 0.10 0.00 0.00 66.02 64.49 1iwa s SER 144 CO -0.14 -0.45 2.11 1.88 0.98 0.00 0.00 173.24 177.61 1iwa h TYR 145 N 3.44 0.22 0.00 5.02 -1.99 -1.79 0.01 116.97 121.89 1iwa h TYR 145 Ca -0.48 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.14 1iwa h TYR 145 Cb 1.22 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.86 1iwa h TYR 145 CO 0.56 0.14 -0.55 0.93 -0.00 0.00 0.00 178.16 179.25 1iwa h GLU 146 N 0.24 0.00 0.00 4.88 4.39 -1.90 -2.66 114.58 119.52 1iwa h GLU 146 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1iwa h GLU 146 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1iwa h GLU 146 CO -0.01 0.55 0.00 0.43 -1.16 0.00 0.00 179.01 178.81 1iwa n SER 147 N -3.87 0.00 -0.09 1.42 7.64 -0.02 -0.94 113.62 117.77 1iwa n SER 147 Ca -0.01 0.47 0.14 0.00 1.01 0.00 0.00 58.87 60.48 1iwa n SER 147 Cb 0.56 -0.48 0.79 0.00 -1.01 0.00 0.00 64.21 64.06 1iwa n SER 147 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1iwa n TYR 148 N -1.48 0.01 -4.39 1.43 4.02 -1.00 -4.78 117.16 110.96 1iwa n TYR 148 Ca 0.03 -0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 1iwa n TYR 148 Cb 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.34 1iwa n TYR 148 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1iwa s LYS 149 N -1.99 1.42 0.77 -0.72 1.02 -0.12 -5.12 119.74 115.01 1iwa s LYS 149 Ca 0.42 -1.41 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 1iwa s LYS 149 Cb 0.20 -1.81 0.06 0.00 -0.52 0.00 0.00 37.83 35.76 1iwa s LYS 149 CO 0.33 0.41 1.19 -0.35 -0.92 0.00 0.00 175.35 176.01 1iwa n PRO 150 N 0.63 0.38 -0.28 -1.68 -0.04 -1.26 -4.82 135.00 127.92 1iwa n PRO 150 Ca -0.16 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1iwa n PRO 150 Cb 0.54 -2.43 0.23 0.00 -0.04 0.00 0.00 33.50 31.80 1iwa n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1iwa h GLU 151 N -0.59 0.46 0.00 0.54 5.08 -1.95 -1.92 114.58 116.20 1iwa h GLU 151 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1iwa h GLU 151 Cb 1.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1iwa h GLU 151 CO 0.47 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 178.38 1iwa n ASP 152 N -4.99 0.00 0.00 1.42 5.75 -1.26 -2.88 116.55 114.59 1iwa n ASP 152 Ca 0.17 -0.60 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 1iwa n ASP 152 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1iwa n ASP 152 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1iwa n GLU 153 N -0.95 0.89 -2.89 0.11 1.02 -0.72 -5.05 120.64 113.04 1iwa n GLU 153 Ca 0.12 -0.88 -0.39 0.00 -0.02 0.00 0.00 57.16 55.99 1iwa n GLU 153 Cb 0.05 -0.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1iwa n GLU 153 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1iwa s ARG 154 N -0.43 4.64 0.00 3.49 0.52 -1.14 -4.95 118.95 121.08 1iwa s ARG 154 Ca 0.00 1.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1iwa s ARG 154 Cb 0.00 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1iwa s ARG 154 CO 0.00 0.50 0.00 0.66 0.02 0.00 0.00 175.30 176.48