#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 3.51 -0.10 3.17 3.52 -1.26 -4.41 118.95 123.38 1iwa s ARG 9 Ca 0.00 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.75 1iwa s ARG 9 Cb 0.00 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 1iwa s ARG 9 CO 0.00 -0.18 1.67 0.42 -0.81 0.00 0.00 175.30 176.40 1iwa s ILE 10 N 1.49 3.58 -0.45 4.11 -1.09 -1.26 -4.90 121.20 122.68 1iwa s ILE 10 Ca 0.06 0.69 0.04 0.00 -2.23 0.00 0.00 60.65 59.21 1iwa s ILE 10 Cb -0.15 -3.49 0.61 0.00 -1.58 0.00 0.00 42.46 37.86 1iwa s ILE 10 CO -0.00 -0.11 1.84 0.35 -1.23 0.00 0.00 174.94 175.79 1iwa n THR 11 N 5.77 3.14 -1.68 2.92 -2.24 -1.26 -4.92 114.28 116.01 1iwa n THR 11 Ca 0.18 -2.24 -0.30 0.00 -2.27 0.00 0.00 64.05 59.43 1iwa n THR 11 Cb 0.43 -0.54 0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.36 2.10 0.00 -0.78 -0.21 -1.26 -4.75 119.66 111.40 1iwa s GLN 12 Ca 0.56 0.47 0.00 0.00 0.02 0.00 0.00 55.36 56.40 1iwa s GLN 12 Cb 0.47 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.55 1iwa s GLN 12 CO 0.07 -1.57 0.00 0.41 -2.12 0.00 0.00 175.29 172.08 1iwa n GLY 13 N -2.50 0.55 0.24 3.09 0.00 -1.26 -4.39 105.19 100.92 1iwa n GLY 13 Ca 0.07 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.62 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 0.74 0.00 2.61 2.02 -0.73 -3.29 112.91 114.26 1iwa h THR 14 Ca 0.00 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1iwa h THR 14 Cb 0.00 1.46 -0.14 0.00 -1.74 0.00 0.00 68.15 67.73 1iwa h THR 14 CO 0.00 0.18 -0.66 0.49 0.37 0.00 0.00 175.52 175.91 1iwa n PHE 15 N -3.75 0.00 1.12 3.16 3.72 -1.26 -4.84 117.46 115.62 1iwa n PHE 15 Ca -0.02 -1.05 0.10 0.00 -0.05 0.00 0.00 57.45 56.44 1iwa n PHE 15 Cb 0.29 -0.20 0.56 0.00 -0.94 0.00 0.00 39.48 39.19 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 -0.52 0.00 -0.26 4.37 7.64 -1.24 -1.94 113.62 121.66 1iwa n SER 16 Ca 0.13 -0.35 0.12 0.00 1.01 0.00 0.00 58.87 59.78 1iwa n SER 16 Cb 0.85 -0.13 0.17 0.00 -1.01 0.00 0.00 64.21 64.09 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 -1.13 0.00 -3.82 1.43 3.72 -1.26 -4.83 117.46 111.57 1iwa n PHE 17 Ca 0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.32 1iwa n PHE 17 Cb 0.11 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.63 3.84 0.82 4.37 1.43 -0.82 -5.09 118.68 120.61 1iwa s LEU 18 Ca 0.18 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1iwa s LEU 18 Cb 0.18 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 44.03 1iwa s LEU 18 CO 0.61 -0.26 1.15 -2.65 0.23 0.00 0.00 176.35 175.42 1iwa n PRO 19 N -1.40 0.09 -1.65 1.29 -0.02 -1.26 -4.85 135.00 127.20 1iwa n PRO 19 Ca -0.04 0.11 -0.47 0.00 -2.02 0.00 0.00 63.50 61.08 1iwa n PRO 19 Cb 0.59 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 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 -3.23 2.71 -4.77 2.55 10.43 -1.26 -4.88 116.55 118.10 1iwa n ASP 20 Ca 0.13 1.10 -0.41 0.00 2.57 0.00 0.00 54.79 58.18 1iwa n ASP 20 Cb 0.51 -1.38 -0.02 0.00 1.84 0.00 0.00 41.12 42.07 1iwa n ASP 20 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1iwa s LEU 21 N 0.70 4.43 0.69 0.64 1.43 -1.26 -5.03 118.68 120.28 1iwa s LEU 21 Ca 0.78 2.69 -0.11 0.00 -1.03 0.00 0.00 54.13 56.45 1iwa s LEU 21 Cb -0.73 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 41.85 1iwa s LEU 21 CO 0.42 -0.54 1.07 0.42 0.23 0.00 0.00 176.35 177.94 1iwa s THR 22 N -1.08 3.95 0.62 5.49 -4.23 -1.26 -4.79 115.64 114.34 1iwa s THR 22 Ca 0.49 0.63 0.35 0.00 -1.18 0.00 0.00 61.69 61.98 1iwa s THR 22 Cb -0.40 -3.50 0.38 0.00 1.34 0.00 0.00 72.50 70.33 1iwa s THR 22 CO 0.52 -0.83 2.28 0.44 -0.54 0.00 0.00 174.62 176.49 1iwa h ASP 23 N -0.66 0.00 -0.05 3.99 5.19 -1.98 0.91 116.42 123.82 1iwa h ASP 23 Ca -0.45 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.71 1iwa h ASP 23 Cb 1.22 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.75 1iwa h ASP 23 CO 0.60 0.00 -0.94 -0.08 -3.12 0.00 0.00 179.24 175.70 1iwa h GLU 24 N 0.00 0.74 -0.45 3.56 4.22 -1.98 -0.13 114.58 120.54 1iwa h GLU 24 Ca 0.01 -0.71 -0.13 0.00 0.08 0.00 0.00 59.36 58.60 1iwa h GLU 24 Cb 0.05 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1iwa h GLU 24 CO -0.00 1.30 -0.23 1.96 -2.18 0.00 0.00 179.01 179.86 1iwa h GLN 25 N 0.45 0.94 -0.95 1.92 4.20 -1.44 -1.28 115.11 118.96 1iwa h GLN 25 Ca -0.10 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 1iwa h GLN 25 Cb 1.58 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.29 1iwa h GLN 25 CO 0.19 1.08 0.57 0.82 -0.67 0.00 0.00 178.83 180.82 1iwa h ILE 26 N 0.78 1.26 -0.53 2.54 2.04 -0.87 -1.43 117.51 121.30 1iwa h ILE 26 Ca 0.10 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1iwa h ILE 26 Cb 0.81 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1iwa h ILE 26 CO 0.07 0.27 0.35 0.50 0.00 0.00 0.00 178.15 179.34 1iwa h LYS 27 N 1.30 0.70 -0.36 2.37 3.11 -0.47 -1.23 116.57 121.99 1iwa h LYS 27 Ca 0.34 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 58.05 1iwa h LYS 27 Cb -0.06 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.00 1iwa h LYS 27 CO -0.06 0.46 -0.15 0.87 -2.81 0.00 0.00 179.45 177.76 1iwa h LYS 28 N 0.72 0.65 0.00 1.90 1.57 -0.79 -1.47 116.57 119.15 1iwa h LYS 28 Ca 0.20 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1iwa h LYS 28 Cb -0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1iwa h LYS 28 CO -0.04 0.77 -0.24 1.96 -0.57 0.00 0.00 179.45 181.33 1iwa h GLN 29 N 0.59 0.00 -0.09 3.15 1.08 -0.71 -1.20 115.11 117.93 1iwa h GLN 29 Ca 0.10 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.11 1iwa h GLN 29 Cb 0.59 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1iwa h GLN 29 CO 0.04 0.24 -0.69 0.82 -0.95 0.00 0.00 178.83 178.29 1iwa h ILE 30 N 0.00 1.33 -0.84 2.54 2.04 -0.47 -2.05 117.51 120.06 1iwa h ILE 30 Ca -0.00 -1.97 0.08 0.00 1.00 0.00 0.00 64.86 63.97 1iwa h ILE 30 Cb 0.43 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 1iwa h ILE 30 CO 0.03 0.60 0.50 0.44 0.00 0.00 0.00 178.15 179.73 1iwa h ASP 31 N 0.28 0.75 0.27 1.72 3.32 -0.67 0.13 116.42 122.23 1iwa h ASP 31 Ca -0.06 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1iwa h ASP 31 Cb 1.34 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1iwa h ASP 31 CO 0.14 0.45 -0.19 0.22 -1.72 0.00 0.00 179.24 178.14 1iwa h TYR 32 N 0.87 -0.49 -0.50 4.55 3.20 -1.13 -0.08 116.97 123.39 1iwa h TYR 32 Ca 0.39 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.33 1iwa h TYR 32 Cb 0.29 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 1iwa h TYR 32 CO -0.05 -0.29 0.18 0.52 -1.64 0.00 0.00 178.16 176.88 1iwa h MET 33 N -0.46 0.35 -0.63 1.82 2.86 -0.61 -1.37 114.93 116.88 1iwa h MET 33 Ca -0.02 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1iwa h MET 33 Cb 0.39 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1iwa h MET 33 CO 0.01 0.23 0.33 0.82 1.06 0.00 0.00 176.91 179.36 1iwa h ILE 34 N 0.36 0.93 0.00 -1.22 2.04 -0.48 -0.72 117.51 118.41 1iwa h ILE 34 Ca 0.24 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1iwa h ILE 34 Cb 0.25 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1iwa h ILE 34 CO -0.24 0.11 -0.03 0.77 0.00 0.00 0.00 178.15 178.75 1iwa h SER 35 N 0.60 0.00 -0.68 1.72 4.64 0.09 -1.83 113.55 118.09 1iwa h SER 35 Ca 0.29 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.42 1iwa h SER 35 Cb 0.22 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.20 1iwa h SER 35 CO -0.20 0.03 0.22 0.29 -0.87 0.00 0.00 176.83 176.30 1iwa n LYS 36 N -3.68 3.68 -4.11 4.77 5.02 -0.29 -4.97 118.16 118.58 1iwa n LYS 36 Ca -0.03 -3.09 -0.31 0.00 -2.02 0.00 0.00 58.31 52.87 1iwa n LYS 36 Cb 0.13 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 32.91 1iwa n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iwa n LYS 37 N -0.17 -1.79 -4.06 1.97 4.01 -0.69 -4.96 118.16 112.48 1iwa n LYS 37 Ca 0.39 0.23 -0.28 0.00 -0.51 0.00 0.00 58.31 58.14 1iwa n LYS 37 Cb 1.33 -3.86 -0.06 0.00 -0.51 0.00 0.00 35.03 31.94 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 -7.18 3.85 0.26 -0.35 1.43 -1.14 -4.77 118.68 110.79 1iwa s LEU 38 Ca 0.09 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1iwa s LEU 38 Cb -0.04 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 1iwa s LEU 38 CO 0.94 0.11 0.88 0.00 0.23 0.00 0.00 176.35 178.51 1iwa s ALA 39 N -1.61 3.32 -0.23 4.21 0.00 -0.21 -4.79 121.76 122.44 1iwa s ALA 39 Ca 0.31 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 1iwa s ALA 39 Cb -0.11 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1iwa s ALA 39 CO 0.23 0.23 -0.09 0.42 0.00 0.00 0.00 175.76 176.55 1iwa s ILE 40 N -1.39 2.73 0.16 0.00 1.01 -0.28 -0.93 121.20 122.50 1iwa s ILE 40 Ca 0.44 -0.98 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1iwa s ILE 40 Cb -0.21 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1iwa s ILE 40 CO 0.26 0.28 -0.11 -0.83 0.00 0.00 0.00 174.94 174.54 1iwa s GLY 41 N 1.32 1.74 -0.08 6.18 0.00 -0.44 0.01 107.32 116.05 1iwa s GLY 41 Ca 0.01 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1iwa s GLY 41 CO -0.06 -1.42 -0.22 -0.42 0.00 0.00 0.00 173.10 170.98 1iwa s ILE 42 N -1.52 2.29 0.05 0.90 1.01 -1.26 -0.75 121.20 121.92 1iwa s ILE 42 Ca 0.23 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 1iwa s ILE 42 Cb -0.09 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1iwa s ILE 42 CO 0.14 0.56 -0.03 -1.61 0.00 0.00 0.00 174.94 174.00 1iwa s GLU 43 N 0.02 0.61 0.10 2.79 2.02 -0.21 -1.43 118.70 122.60 1iwa s GLU 43 Ca -0.08 -1.18 -0.23 0.00 0.02 0.00 0.00 54.97 53.49 1iwa s GLU 43 Cb -0.15 0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.29 1iwa s GLU 43 CO 0.05 -0.09 0.57 1.52 0.02 0.00 0.00 175.26 177.33 1iwa s TYR 44 N -3.68 -0.49 0.08 1.61 -0.85 -0.46 -0.40 117.35 113.17 1iwa s TYR 44 Ca 0.06 0.42 -0.27 0.00 -0.52 0.00 0.00 57.07 56.76 1iwa s TYR 44 Cb 0.06 0.45 0.08 0.00 0.38 0.00 0.00 41.96 42.93 1iwa s TYR 44 CO -0.09 -0.75 1.00 0.95 -1.52 0.00 0.00 175.55 175.14 1iwa s THR 45 N -3.08 0.00 -0.18 -3.49 -4.23 -1.02 -0.01 115.64 103.62 1iwa s THR 45 Ca -0.02 -0.44 0.13 0.00 -1.18 0.00 0.00 61.69 60.18 1iwa s THR 45 Cb -0.00 -1.74 0.41 0.00 1.34 0.00 0.00 72.50 72.51 1iwa s THR 45 CO -0.07 0.00 1.21 -0.46 -0.54 0.00 0.00 174.62 174.76 1iwa n ASN 46 N -0.41 1.65 -3.61 3.99 0.23 -1.26 -1.35 115.26 114.51 1iwa n ASN 46 Ca -0.07 -3.66 -0.28 0.00 -0.53 0.00 0.00 54.58 50.05 1iwa n ASN 46 Cb 0.61 -0.50 -0.11 0.00 -2.08 0.00 0.00 39.78 37.70 1iwa n ASN 46 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1iwa s ASP 47 N -3.08 2.96 0.00 0.53 3.68 -1.26 -4.67 116.67 114.83 1iwa s ASP 47 Ca 0.37 -3.12 0.00 0.00 2.13 0.00 0.00 52.55 51.93 1iwa s ASP 47 Cb 0.37 -0.89 0.00 0.00 -1.45 0.00 0.00 42.92 40.94 1iwa s ASP 47 CO -0.08 -0.18 1.19 2.30 0.13 0.00 0.00 175.17 178.53 1iwa n ILE 48 N 2.85 1.19 -1.78 4.11 -6.64 -1.26 -4.83 119.36 113.00 1iwa n ILE 48 Ca 0.21 -0.10 -0.42 0.00 -1.77 0.00 0.00 62.75 60.68 1iwa n ILE 48 Cb 0.41 -1.09 -0.02 0.00 -1.44 0.00 0.00 39.64 37.50 1iwa n ILE 48 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1iwa s HIS 49 N 0.00 2.77 0.32 4.28 2.46 -1.26 -4.83 115.29 119.03 1iwa s HIS 49 Ca 0.00 0.74 0.36 0.00 0.47 0.00 0.00 55.06 56.63 1iwa s HIS 49 Cb 0.00 -4.07 1.93 0.00 -0.13 0.00 0.00 32.58 30.31 1iwa s HIS 49 CO 0.00 -3.64 2.10 -1.00 -2.47 0.00 0.00 174.74 169.73 1iwa h PRO 50 N 5.04 0.00 -0.74 2.88 0.13 -1.96 -1.55 132.00 135.80 1iwa h PRO 50 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iwa h PRO 50 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iwa h PRO 50 CO 0.81 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.12 1iwa n ARG 51 N -2.76 2.72 -2.62 0.86 5.12 -1.26 -4.71 116.66 114.00 1iwa n ARG 51 Ca -0.02 -2.67 -0.43 0.00 -1.93 0.00 0.00 57.85 52.80 1iwa n ARG 51 Cb 0.06 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.79 1iwa n ARG 51 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1iwa n ASN 64 N 1.68 4.99 0.30 0.55 5.15 -0.59 -4.82 115.26 122.53 1iwa n ASN 64 Ca 0.25 -2.97 0.16 0.00 -0.60 0.00 0.00 54.58 51.42 1iwa n ASN 64 Cb 0.63 -1.61 0.95 0.00 -0.53 0.00 0.00 39.78 39.22 1iwa n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iwa h ALA 65 N 6.88 1.42 -3.15 5.20 0.00 -1.86 -3.37 119.26 124.38 1iwa h ALA 65 Ca 0.39 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 65 Cb 0.80 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.21 1iwa h ALA 65 CO 1.44 0.01 -0.42 0.71 0.00 0.00 0.00 179.25 180.99 1iwa s TYR 66 N -4.52 3.47 0.96 0.00 2.02 -1.26 -5.08 117.35 112.94 1iwa s TYR 66 Ca -0.05 -3.02 -0.12 0.00 -0.37 0.00 0.00 57.07 53.52 1iwa s TYR 66 Cb 0.15 -3.02 0.16 0.00 -0.40 0.00 0.00 41.96 38.85 1iwa s TYR 66 CO 0.53 -0.74 1.09 -1.58 -1.57 0.00 0.00 175.55 173.28 1iwa s TRP 67 N -0.64 2.20 0.37 2.71 0.52 -1.26 -4.97 118.94 117.86 1iwa s TRP 67 Ca 0.20 1.10 -0.26 0.00 0.02 0.00 0.00 56.10 57.17 1iwa s TRP 67 Cb -0.16 -3.22 -0.09 0.00 -1.15 0.00 0.00 33.47 28.85 1iwa s TRP 67 CO -0.07 -2.68 1.09 -1.21 0.02 0.00 0.00 176.95 174.10 1iwa s GLU 68 N -4.96 4.25 0.03 4.98 0.41 0.98 -4.80 118.70 119.60 1iwa s GLU 68 Ca 0.64 1.67 -0.11 0.00 -0.41 0.00 0.00 54.97 56.77 1iwa s GLU 68 Cb -0.18 -2.74 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1iwa s GLU 68 CO 0.57 -0.10 0.37 0.96 -0.49 0.00 0.00 175.26 176.57 1iwa s ILE 69 N -1.47 5.13 -0.57 -1.63 -4.36 -1.26 -1.35 121.20 115.69 1iwa s ILE 69 Ca 0.54 0.50 -0.17 0.00 -0.26 0.00 0.00 60.65 61.27 1iwa s ILE 69 Cb -0.27 -3.64 0.13 0.00 1.25 0.00 0.00 42.46 39.94 1iwa s ILE 69 CO 0.34 0.40 0.57 0.86 0.24 0.00 0.00 174.94 177.34 1iwa s TRP 70 N -1.27 3.23 0.00 1.37 -0.11 -0.51 -4.96 118.94 116.68 1iwa s TRP 70 Ca 0.28 -1.26 0.00 0.00 1.22 0.00 0.00 56.10 56.34 1iwa s TRP 70 Cb -0.14 -3.85 0.00 0.00 -1.50 0.00 0.00 33.47 27.97 1iwa s TRP 70 CO 0.15 -1.08 0.00 0.41 -4.62 0.00 0.00 176.95 171.81 1iwa n GLY 71 N 5.18 -0.05 3.91 5.86 0.00 -1.26 -4.56 105.19 114.27 1iwa n GLY 71 Ca -0.11 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 3.70 0.56 0.99 2.96 -1.26 -4.96 118.68 120.67 1iwa s LEU 72 Ca 0.00 0.86 -0.20 0.00 -0.22 0.00 0.00 54.13 54.57 1iwa s LEU 72 Cb 0.00 -3.79 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 1iwa s LEU 72 CO 0.00 -0.52 1.19 -2.16 -1.32 0.00 0.00 176.35 173.54 1iwa s PRO 73 N -4.62 3.17 -0.45 0.98 0.04 -1.26 -4.89 135.00 127.96 1iwa s PRO 73 Ca 0.46 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 1iwa s PRO 73 Cb -0.10 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1iwa s PRO 73 CO 0.43 -1.04 0.83 -0.51 0.04 0.00 0.00 177.00 176.74 1iwa s LEU 74 N -3.85 4.18 0.00 -3.56 1.02 0.10 -4.88 118.68 111.69 1iwa s LEU 74 Ca 0.74 -0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.86 1iwa s LEU 74 Cb -0.29 -3.03 0.00 0.00 0.02 0.00 0.00 46.19 42.88 1iwa s LEU 74 CO 0.33 -0.95 0.00 0.49 0.02 0.00 0.00 176.35 176.24 1iwa n PHE 75 N 6.84 0.00 -0.70 0.29 3.72 -1.26 -1.12 117.46 125.23 1iwa n PHE 75 Ca 0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 1iwa n PHE 75 Cb 0.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.00 4.61 -4.74 4.37 8.00 -1.26 -4.61 116.55 122.91 1iwa n ASP 76 Ca 0.00 -2.28 -0.41 0.00 0.71 0.00 0.00 54.79 52.81 1iwa n ASP 76 Cb 0.00 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 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 3.24 2.84 0.00 2.53 1.01 -1.26 -4.88 120.40 123.88 1iwa s VAL 77 Ca 0.38 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1iwa s VAL 77 Cb 0.11 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1iwa s VAL 77 CO -0.03 0.11 0.00 0.41 0.00 0.00 0.00 175.10 175.59 1iwa n THR 78 N 2.39 0.00 -3.53 3.92 -1.04 -1.26 -4.90 114.28 109.86 1iwa n THR 78 Ca 0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.66 1iwa n THR 78 Cb 0.41 -0.48 -0.09 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.48 5.82 0.58 8.00 2.15 -1.26 -4.95 116.67 124.53 1iwa s ASP 79 Ca 0.00 -1.38 0.28 0.00 0.43 0.00 0.00 52.55 51.88 1iwa s ASP 79 Cb 0.00 -2.06 1.52 0.00 -0.30 0.00 0.00 42.92 42.08 1iwa s ASP 79 CO 0.00 -0.55 1.97 1.55 -0.17 0.00 0.00 175.17 177.97 1iwa h PRO 80 N 8.53 0.00 0.00 4.34 0.13 -1.94 0.22 132.00 143.28 1iwa h PRO 80 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1iwa h PRO 80 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1iwa h PRO 80 CO 0.79 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.37 1iwa h ALA 81 N 1.60 1.47 -0.45 -0.56 0.00 -1.97 0.75 119.26 120.10 1iwa h ALA 81 Ca 0.18 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1iwa h ALA 81 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1iwa h ALA 81 CO -0.00 0.23 -0.18 0.00 0.00 0.00 0.00 179.25 179.29 1iwa h ALA 82 N 1.82 0.82 0.03 0.00 0.00 -1.37 -0.58 119.26 119.98 1iwa h ALA 82 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1iwa h ALA 82 Cb 0.38 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1iwa h ALA 82 CO 0.02 0.65 -0.62 0.28 0.00 0.00 0.00 179.25 179.58 1iwa h VAL 83 N 0.78 1.46 -0.01 0.00 2.07 -1.44 -3.07 116.25 116.04 1iwa h VAL 83 Ca 0.11 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1iwa h VAL 83 Cb 0.72 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1iwa h VAL 83 CO 0.06 0.62 0.01 0.25 0.02 0.00 0.00 177.57 178.53 1iwa h LEU 84 N -0.20 0.00 0.36 2.57 7.12 -0.85 -0.98 115.31 123.33 1iwa h LEU 84 Ca -0.09 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.91 1iwa h LEU 84 Cb 1.36 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1iwa h LEU 84 CO 0.12 0.00 -0.17 0.15 -0.13 0.00 0.00 178.44 178.41 1iwa h PHE 85 N 0.00 -0.45 -0.45 1.25 3.57 -1.04 -1.48 116.94 118.34 1iwa h PHE 85 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1iwa h PHE 85 Cb 0.02 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1iwa h PHE 85 CO 0.00 -0.24 0.05 0.93 -2.23 0.00 0.00 178.31 176.82 1iwa h GLU 86 N -0.54 0.70 -0.62 1.11 4.39 -1.30 -0.67 114.58 117.65 1iwa h GLU 86 Ca -0.05 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1iwa h GLU 86 Cb 0.41 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1iwa h GLU 86 CO 0.08 0.69 0.36 0.82 -1.16 0.00 0.00 179.01 179.80 1iwa h ILE 87 N 0.67 1.19 0.00 3.13 2.04 -1.03 0.42 117.51 123.93 1iwa h ILE 87 Ca 0.14 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1iwa h ILE 87 Cb 0.35 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1iwa h ILE 87 CO 0.01 0.20 -0.39 0.78 0.00 0.00 0.00 178.15 178.74 1iwa h ASN 88 N 0.84 0.00 -0.11 1.72 -0.26 -0.91 -0.95 115.58 115.91 1iwa h ASN 88 Ca 0.22 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 1iwa h ASN 88 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1iwa h ASN 88 CO -0.04 0.39 -0.11 0.00 -1.06 0.00 0.00 177.43 176.62 1iwa h ALA 89 N 1.61 0.17 -0.30 -0.83 0.00 -0.09 -1.94 119.26 117.87 1iwa h ALA 89 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1iwa h ALA 89 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1iwa h ALA 89 CO 0.05 0.01 0.08 0.00 0.00 0.00 0.00 179.25 179.39 1iwa h ARG 91 N 0.33 0.24 -0.61 0.00 3.08 -1.15 0.32 114.38 116.59 1iwa h ARG 91 Ca 0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1iwa h ARG 91 Cb 0.27 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1iwa h ARG 91 CO -0.00 0.16 0.32 -0.22 -1.07 0.00 0.00 179.97 179.15 1iwa h LYS 92 N 0.25 0.86 0.00 0.04 3.11 -1.03 -0.71 116.57 119.08 1iwa h LYS 92 Ca 0.34 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 1iwa h LYS 92 Cb 0.54 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1iwa h LYS 92 CO -0.45 0.67 -0.05 0.00 -2.81 0.00 0.00 179.45 176.81 1iwa n ALA 93 N -2.33 2.38 -2.67 5.00 0.00 -0.46 -4.12 120.51 118.31 1iwa n ALA 93 Ca 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1iwa n ALA 93 Cb 0.10 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.15 1iwa n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iwa n ARG 94 N -1.96 1.19 -0.28 0.00 5.12 1.00 -4.98 116.66 116.75 1iwa n ARG 94 Ca 0.06 -3.25 -0.01 0.00 -1.93 0.00 0.00 57.85 52.72 1iwa n ARG 94 Cb 0.40 -1.26 0.06 0.00 -1.16 0.00 0.00 32.46 30.50 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 2.96 -1.03 -1.55 0.55 0.02 -1.29 -2.37 113.55 110.84 1iwa h SER 95 Ca -0.11 0.25 -0.65 0.00 -0.84 0.00 0.00 61.79 60.45 1iwa h SER 95 Cb 1.19 0.58 -0.22 0.00 0.14 0.00 0.00 62.40 64.09 1iwa h SER 95 CO 0.47 -0.29 0.85 -0.46 -1.14 0.00 0.00 176.83 176.26 1iwa n ASN 96 N -5.49 7.09 -4.12 3.07 6.94 -1.26 -4.62 115.26 116.88 1iwa n ASN 96 Ca 0.09 -3.51 -0.08 0.00 -0.02 0.00 0.00 54.58 51.06 1iwa n ASN 96 Cb 0.39 -1.17 -0.10 0.00 -2.36 0.00 0.00 39.78 36.54 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 -2.87 0.66 0.14 -2.53 0.40 -0.89 -4.75 117.98 108.14 1iwa s PHE 97 Ca 0.54 -1.10 -0.23 0.00 -0.60 0.00 0.00 56.93 55.55 1iwa s PHE 97 Cb 0.38 -0.43 -0.08 0.00 0.51 0.00 0.00 43.02 43.40 1iwa s PHE 97 CO -0.30 -0.39 0.70 0.71 0.70 0.00 0.00 175.22 176.64 1iwa s TYR 98 N -3.92 3.86 -0.04 0.36 1.51 -0.46 -4.07 117.35 114.59 1iwa s TYR 98 Ca 0.13 1.49 0.01 0.00 -1.01 0.00 0.00 57.07 57.69 1iwa s TYR 98 Cb 0.08 -2.66 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 1iwa s TYR 98 CO -0.06 0.53 -0.05 0.42 -1.11 0.00 0.00 175.55 175.28 1iwa s ILE 99 N -1.16 0.53 0.13 2.71 1.01 -0.38 -2.44 121.20 121.60 1iwa s ILE 99 Ca 0.34 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1iwa s ILE 99 Cb -0.21 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1iwa s ILE 99 CO 0.23 0.21 -0.12 -1.59 0.00 0.00 0.00 174.94 173.67 1iwa s LYS 100 N 0.76 1.01 -0.11 2.79 -2.85 0.46 0.67 119.74 122.47 1iwa s LYS 100 Ca -0.10 -1.28 -0.01 0.00 -1.00 0.00 0.00 55.97 53.58 1iwa s LYS 100 Cb -0.13 -0.77 -0.02 0.00 -2.06 0.00 0.00 37.83 34.84 1iwa s LYS 100 CO 0.00 0.13 -0.09 0.08 0.10 0.00 0.00 175.35 175.58 1iwa s VAL 101 N -2.50 3.48 -0.02 1.79 1.01 -0.10 -1.05 120.40 123.01 1iwa s VAL 101 Ca 0.10 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1iwa s VAL 101 Cb -0.03 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1iwa s VAL 101 CO 0.02 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.74 1iwa s VAL 102 N -0.07 1.83 -0.23 2.92 1.01 0.07 -1.82 120.40 124.10 1iwa s VAL 102 Ca -0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1iwa s VAL 102 Cb -0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1iwa s VAL 102 CO 0.03 0.52 -0.01 -0.83 0.00 0.00 0.00 175.10 174.81 1iwa s GLY 103 N -0.45 1.66 -0.12 4.51 0.00 0.09 -1.32 107.32 111.69 1iwa s GLY 103 Ca 0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 1iwa s GLY 103 CO -0.00 0.47 -0.01 -0.12 0.00 0.00 0.00 173.10 173.44 1iwa s PHE 104 N 1.52 3.11 -0.07 1.90 5.36 -0.11 -0.69 117.98 129.00 1iwa s PHE 104 Ca 0.06 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 1iwa s PHE 104 Cb -0.15 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.64 1iwa s PHE 104 CO -0.01 0.27 -0.08 0.45 -1.46 0.00 0.00 175.22 174.39 1iwa s SER 105 N -0.35 4.58 0.00 6.13 0.15 -0.49 -1.05 113.70 122.67 1iwa s SER 105 Ca 0.07 -0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.83 1iwa s SER 105 Cb -0.12 -1.16 0.41 0.00 -1.71 0.00 0.00 66.02 63.45 1iwa s SER 105 CO 0.02 0.35 1.34 -1.20 1.20 0.00 0.00 173.24 174.95 1iwa n SER 106 N 2.27 3.25 -4.73 5.45 7.64 -1.26 -2.27 113.62 123.97 1iwa n SER 106 Ca -0.18 -1.97 -0.42 0.00 1.01 0.00 0.00 58.87 57.31 1iwa n SER 106 Cb 0.53 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.02 2.47 0.14 0.44 1.01 -1.26 -4.65 120.40 117.53 1iwa s VAL 107 Ca 0.32 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 1iwa s VAL 107 Cb 0.17 -3.23 0.20 0.00 0.00 0.00 0.00 36.38 33.52 1iwa s VAL 107 CO 0.22 0.04 0.85 -1.14 0.00 0.00 0.00 175.10 175.07 1iwa n ARG 107 N 3.38 -0.08 0.00 2.72 0.63 -1.26 0.02 116.66 122.07 1iwa n ARG 107 Ca 0.12 0.85 0.14 0.00 -0.92 0.00 0.00 57.85 58.03 1iwa n ARG 107 Cb 0.38 -1.26 0.58 0.00 0.45 0.00 0.00 32.46 32.61 1iwa n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iwa n GLY 107 N -1.31 -1.05 0.29 5.14 0.00 -1.26 -4.50 105.19 102.50 1iwa n GLY 107 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1iwa n GLY 107 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1iwa n ILE 108 N -1.09 0.20 -4.23 -0.61 -0.00 0.10 -5.00 119.36 108.74 1iwa n ILE 108 Ca 0.13 0.34 -0.35 0.00 -0.00 0.00 0.00 62.75 62.86 1iwa n ILE 108 Cb 0.29 -1.47 -0.06 0.00 -0.00 0.00 0.00 39.64 38.40 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 -2.74 -0.73 -3.71 0.38 1.02 -0.73 -4.87 120.64 109.26 1iwa n GLU 109 Ca -0.01 0.07 -0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1iwa n GLU 109 Cb 0.05 -3.19 0.02 0.00 -0.02 0.00 0.00 31.44 28.31 1iwa n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iwa n SER 110 N -2.61 -1.96 -4.73 1.62 2.88 -0.96 -4.96 113.62 102.89 1iwa n SER 110 Ca -0.26 -2.23 -0.41 0.00 -1.33 0.00 0.00 58.87 54.64 1iwa n SER 110 Cb 0.65 3.23 -0.03 0.00 -0.75 0.00 0.00 64.21 67.31 1iwa n SER 110 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1iwa s THR 111 N -2.11 3.56 0.00 2.46 2.01 -1.26 -1.40 115.64 118.90 1iwa s THR 111 Ca 0.18 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1iwa s THR 111 Cb -0.04 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1iwa s THR 111 CO 0.09 0.17 0.91 2.30 -0.69 0.00 0.00 174.62 177.39 1iwa n ILE 112 N 2.95 0.83 -3.63 1.82 -5.35 0.14 -4.94 119.36 111.17 1iwa n ILE 112 Ca 0.06 -0.90 -0.07 0.00 -0.27 0.00 0.00 62.75 61.57 1iwa n ILE 112 Cb 0.44 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 38.87 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 -0.83 0.00 -0.30 7.28 2.07 -1.23 -4.97 121.20 123.22 1iwa s ILE 113 Ca 0.00 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1iwa s ILE 113 Cb 0.00 -1.00 0.17 0.00 0.13 0.00 0.00 42.46 41.76 1iwa s ILE 113 CO 0.00 0.00 0.68 -0.55 -1.91 0.00 0.00 174.94 173.16 1iwa s SER 114 N -0.11 -1.18 0.06 4.50 0.15 -1.26 -0.73 113.70 115.12 1iwa s SER 114 Ca 0.04 1.09 0.03 0.00 0.70 0.00 0.00 55.95 57.81 1iwa s SER 114 Cb -0.04 2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 66.37 1iwa s SER 114 CO -0.08 -0.22 -0.09 0.72 1.20 0.00 0.00 173.24 174.77 1iwa s PHE 115 N 2.85 0.83 0.25 3.44 -0.71 -0.76 0.05 117.98 123.93 1iwa s PHE 115 Ca 0.08 -0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 55.15 1iwa s PHE 115 Cb -0.13 -0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 41.11 1iwa s PHE 115 CO -0.19 -0.05 1.09 0.42 -1.34 0.00 0.00 175.22 175.15 1iwa s ILE 116 N -1.55 3.60 -0.03 -4.49 -1.09 -1.26 -0.92 121.20 115.46 1iwa s ILE 116 Ca -0.06 1.55 0.04 0.00 -2.23 0.00 0.00 60.65 59.96 1iwa s ILE 116 Cb -0.09 -3.99 0.07 0.00 -1.58 0.00 0.00 42.46 36.87 1iwa s ILE 116 CO 0.00 0.35 0.90 1.33 -1.23 0.00 0.00 174.94 176.29 1iwa n VAL 117 N 1.51 0.69 -3.55 2.92 0.24 0.21 -4.78 118.33 115.57 1iwa n VAL 117 Ca -0.00 -0.78 0.03 0.00 -2.04 0.00 0.00 64.34 61.55 1iwa n VAL 117 Cb 0.45 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.17 -0.02 0.06 -1.34 3.84 -1.12 -4.88 114.94 110.30 1iwa s ASN 118 Ca 0.07 0.04 0.05 0.00 0.21 0.00 0.00 52.86 53.23 1iwa s ASN 118 Cb 0.07 1.01 -0.03 0.00 -0.55 0.00 0.00 41.25 41.75 1iwa s ASN 118 CO 0.01 -0.01 -0.15 -0.13 -2.79 0.00 0.00 177.10 174.04 1iwa s ARG 119 N 1.22 0.89 0.90 0.43 0.52 -1.26 -1.25 118.95 120.39 1iwa s ARG 119 Ca -0.06 -0.89 -0.11 0.00 -0.52 0.00 0.00 55.73 54.15 1iwa s ARG 119 Cb -0.02 -0.91 0.13 0.00 0.52 0.00 0.00 34.95 34.68 1iwa s ARG 119 CO -0.11 0.21 1.10 -1.25 0.02 0.00 0.00 175.30 175.27 1iwa s PRO 120 N -1.50 1.17 0.23 3.54 0.04 -1.26 -4.86 135.00 132.35 1iwa s PRO 120 Ca -0.00 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 1iwa s PRO 120 Cb -0.09 -1.78 0.26 0.00 0.04 0.00 0.00 34.50 32.94 1iwa s PRO 120 CO 0.02 -2.39 1.85 0.87 0.04 0.00 0.00 177.00 177.39 1iwa h LYS 121 N -1.67 0.90 -4.12 4.56 1.57 -1.91 -3.42 116.57 112.49 1iwa h LYS 121 Ca -0.48 -0.05 -0.42 0.00 -1.87 0.00 0.00 60.65 57.83 1iwa h LYS 121 Cb 1.27 -0.20 -0.33 0.00 0.08 0.00 0.00 32.23 33.05 1iwa h LYS 121 CO 0.50 0.59 -0.78 -1.58 -0.57 0.00 0.00 179.45 177.61 1iwa s HIS 122 N -6.09 0.81 -0.39 -1.35 5.04 -1.26 -5.11 115.29 106.93 1iwa s HIS 122 Ca -0.13 -0.23 -0.06 0.00 -1.54 0.00 0.00 55.06 53.10 1iwa s HIS 122 Cb 0.17 -0.68 0.08 0.00 0.04 0.00 0.00 32.58 32.19 1iwa s HIS 122 CO 0.78 -0.18 0.19 -2.00 -2.34 0.00 0.00 174.74 171.19 1iwa s GLU 123 N 0.79 2.41 0.36 2.88 2.56 -1.26 -4.94 118.70 121.50 1iwa s GLU 123 Ca -0.11 -1.51 0.07 0.00 0.00 0.00 0.00 54.97 53.42 1iwa s GLU 123 Cb -0.14 -3.61 0.78 0.00 2.00 0.00 0.00 34.13 33.16 1iwa s GLU 123 CO 0.01 -0.92 1.93 -1.35 -0.56 0.00 0.00 175.26 174.36 1iwa h PRO 124 N 8.23 0.70 0.00 4.30 0.11 -2.00 0.16 132.00 143.49 1iwa h PRO 124 Ca -0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1iwa h PRO 124 Cb 1.07 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1iwa h PRO 124 CO 0.70 0.46 0.00 0.41 -0.21 0.00 0.00 178.00 179.36 1iwa n GLY 125 N -1.45 -1.20 3.53 -0.55 0.00 -1.26 -4.54 105.19 99.72 1iwa n GLY 125 Ca 0.13 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 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 2.54 -0.07 1.61 0.40 -1.26 -2.13 117.98 119.07 1iwa s PHE 126 Ca 0.00 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1iwa s PHE 126 Cb 0.00 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 1iwa s PHE 126 CO 0.00 0.50 0.06 1.21 0.70 0.00 0.00 175.22 177.69 1iwa s ASN 127 N -2.73 5.66 -0.17 1.36 2.47 0.12 -4.90 114.94 116.74 1iwa s ASN 127 Ca 0.23 0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.75 1iwa s ASN 127 Cb -0.09 -1.67 0.01 0.00 -1.45 0.00 0.00 41.25 38.05 1iwa s ASN 127 CO 0.13 0.36 -0.18 -0.22 -3.72 0.00 0.00 177.10 173.47 1iwa s LEU 128 N -1.15 2.26 -0.15 3.21 2.96 -1.26 -1.43 118.68 123.12 1iwa s LEU 128 Ca 0.16 -0.58 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 1iwa s LEU 128 Cb -0.12 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1iwa s LEU 128 CO 0.06 0.04 0.22 -0.04 -1.32 0.00 0.00 176.35 175.31 1iwa s MET 129 N 1.08 4.02 -0.62 1.98 -1.94 0.16 -4.94 119.30 119.05 1iwa s MET 129 Ca -0.00 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1iwa s MET 129 Cb -0.14 -3.35 0.16 0.00 2.01 0.00 0.00 34.83 33.50 1iwa s MET 129 CO -0.06 0.42 0.41 1.03 -0.01 0.00 0.00 175.02 176.81 1iwa s ARG 130 N -0.06 2.41 -0.14 2.03 0.52 -1.26 -2.01 118.95 120.44 1iwa s ARG 130 Ca 0.14 -2.70 -0.26 0.00 -0.52 0.00 0.00 55.73 52.39 1iwa s ARG 130 Cb -0.13 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1iwa s ARG 130 CO 0.03 -1.17 0.86 -1.14 0.02 0.00 0.00 175.30 173.90 1iwa s GLN 131 N -0.39 4.35 -0.25 3.54 0.74 -0.87 -4.93 119.66 121.86 1iwa s GLN 131 Ca 0.19 1.10 -0.29 0.00 0.05 0.00 0.00 55.36 56.40 1iwa s GLN 131 Cb -0.20 -3.55 0.01 0.00 1.10 0.00 0.00 33.01 30.37 1iwa s GLN 131 CO -0.04 -0.28 1.04 -1.21 -0.55 0.00 0.00 175.29 174.26 1iwa s GLU 132 N 1.94 4.23 0.00 1.67 2.02 -1.26 -1.01 118.70 126.29 1iwa s GLU 132 Ca 0.41 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.71 1iwa s GLU 132 Cb -0.17 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.40 1iwa s GLU 132 CO 0.15 -0.67 0.00 -3.47 0.02 0.00 0.00 175.26 171.28 1iwa n ASP 133 N 6.41 0.00 -4.76 -0.19 2.03 -0.51 -4.96 116.55 114.58 1iwa n ASP 133 Ca 0.12 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.03 1iwa n ASP 133 Cb 0.46 0.00 -0.05 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 4.22 4.71 3.26 -0.67 1.02 -1.26 -4.76 119.74 126.25 1iwa s LYS 134 Ca 0.00 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.60 1iwa s LYS 134 Cb 0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1iwa s LYS 134 CO 0.00 0.34 0.00 0.43 -0.92 0.00 0.00 175.35 175.20 1iwa n SER 135 N 1.21 0.00 -0.55 2.83 7.64 -1.26 -0.18 113.62 123.31 1iwa n SER 135 Ca -0.01 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.95 1iwa n SER 135 Cb 0.46 0.00 0.05 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 2.95 1.41 -1.71 1.43 5.12 -1.26 -5.02 116.66 119.58 1iwa n ARG 136 Ca 0.00 -1.25 -0.37 0.00 -1.93 0.00 0.00 57.85 54.30 1iwa n ARG 136 Cb 0.00 -1.29 0.07 0.00 -1.16 0.00 0.00 32.46 30.08 1iwa n ARG 136 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1iwa n SER 137 N 0.57 1.88 -3.90 0.55 7.64 0.75 -4.89 113.62 116.22 1iwa n SER 137 Ca 0.08 0.82 -0.15 0.00 1.01 0.00 0.00 58.87 60.63 1iwa n SER 137 Cb 0.38 -1.53 -0.15 0.00 -1.01 0.00 0.00 64.21 61.90 1iwa n SER 137 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1iwa s ILE 138 N -1.40 0.26 -0.38 0.44 1.01 -1.26 -1.42 121.20 118.44 1iwa s ILE 138 Ca 0.82 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 61.25 1iwa s ILE 138 Cb -0.38 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1iwa s ILE 138 CO 0.41 0.10 0.26 -0.54 0.00 0.00 0.00 174.94 175.17 1iwa s LYS 139 N 0.27 3.08 0.29 2.79 -0.14 -0.18 -4.94 119.74 120.90 1iwa s LYS 139 Ca -0.02 -0.93 -0.10 0.00 -1.36 0.00 0.00 55.97 53.55 1iwa s LYS 139 Cb -0.05 -3.87 -0.07 0.00 -1.68 0.00 0.00 37.83 32.16 1iwa s LYS 139 CO -0.01 -0.65 0.63 0.71 -0.76 0.00 0.00 175.35 175.27 1iwa s TYR 140 N 1.66 3.43 -0.04 3.18 1.51 -1.26 -2.05 117.35 123.78 1iwa s TYR 140 Ca 0.05 0.92 -0.02 0.00 -1.01 0.00 0.00 57.07 57.01 1iwa s TYR 140 Cb -0.19 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.38 1iwa s TYR 140 CO 0.09 0.14 0.06 0.99 -1.11 0.00 0.00 175.55 175.73 1iwa s THR 141 N -2.01 -0.11 -0.15 -0.71 2.01 -0.85 -4.96 115.64 108.86 1iwa s THR 141 Ca 0.49 0.36 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 1iwa s THR 141 Cb -0.11 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 1iwa s THR 141 CO 0.24 0.15 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.68 1iwa s ILE 142 N 1.88 4.10 -0.10 1.82 1.01 -1.26 0.39 121.20 129.05 1iwa s ILE 142 Ca 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 1iwa s ILE 142 Cb -0.12 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.59 1iwa s ILE 142 CO -0.03 0.50 0.23 -2.28 0.00 0.00 0.00 174.94 173.36 1iwa s HIS 143 N 0.17 -0.30 0.37 3.97 2.46 -0.52 -4.97 115.29 116.47 1iwa s HIS 143 Ca -0.00 0.72 -0.26 0.00 0.47 0.00 0.00 55.06 55.98 1iwa s HIS 143 Cb -0.13 0.05 -0.09 0.00 -0.13 0.00 0.00 32.58 32.27 1iwa s HIS 143 CO 0.02 -0.20 1.16 -1.54 -2.47 0.00 0.00 174.74 171.71 1iwa s SER 144 N 0.96 6.72 0.17 9.88 1.04 -1.26 0.10 113.70 131.31 1iwa s SER 144 Ca -0.07 2.34 -0.12 0.00 0.48 0.00 0.00 55.95 58.57 1iwa s SER 144 Cb -0.08 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.49 1iwa s SER 144 CO -0.06 -0.53 1.74 1.88 0.98 0.00 0.00 173.24 177.25 1iwa h TYR 145 N 2.94 0.86 -0.47 5.02 -1.99 -1.78 -2.16 116.97 119.40 1iwa h TYR 145 Ca -0.48 -0.05 0.08 0.00 2.00 0.00 0.00 58.73 60.28 1iwa h TYR 145 Cb 1.23 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 39.67 1iwa h TYR 145 CO 0.56 0.67 0.32 0.93 -0.00 0.00 0.00 178.16 180.64 1iwa h GLU 146 N 0.80 0.27 0.00 4.88 4.39 -1.92 0.48 114.58 123.48 1iwa h GLU 146 Ca 0.20 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1iwa h GLU 146 Cb 0.15 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1iwa h GLU 146 CO -0.02 0.18 0.00 0.43 -1.16 0.00 0.00 179.01 178.44 1iwa n SER 147 N -4.46 0.00 -0.16 1.42 7.64 -0.81 -1.28 113.62 115.96 1iwa n SER 147 Ca 0.07 -0.64 0.13 0.00 1.01 0.00 0.00 58.87 59.43 1iwa n SER 147 Cb 0.34 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.91 0.00 -4.28 1.43 4.02 0.16 -4.84 117.16 112.74 1iwa n TYR 148 Ca 0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.77 1iwa n TYR 148 Cb 0.05 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.14 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 -2.67 2.32 0.45 -0.72 1.02 -0.41 -5.10 119.74 114.64 1iwa s LYS 149 Ca 0.20 -1.39 -0.24 0.00 0.02 0.00 0.00 55.97 54.56 1iwa s LYS 149 Cb 0.19 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 35.24 1iwa s LYS 149 CO 0.58 0.37 1.23 -1.25 -0.92 0.00 0.00 175.35 175.36 1iwa s PRO 150 N -3.64 3.74 0.13 -1.68 0.04 -1.26 -4.87 135.00 127.47 1iwa s PRO 150 Ca 0.31 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.04 1iwa s PRO 150 Cb -0.07 -2.50 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1iwa s PRO 150 CO 0.20 -0.61 1.30 0.39 0.04 0.00 0.00 177.00 178.32 1iwa n GLU 151 N -0.36 -0.36 0.00 4.56 1.02 -1.26 -0.54 120.64 123.69 1iwa n GLU 151 Ca 0.07 1.28 0.01 0.00 -0.02 0.00 0.00 57.16 58.49 1iwa n GLU 151 Cb 0.46 -1.88 0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1iwa n GLU 151 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1iwa n ASP 152 N -5.00 0.00 -0.26 1.62 5.75 -1.26 -0.89 116.55 116.51 1iwa n ASP 152 Ca 0.02 -0.04 0.03 0.00 -0.01 0.00 0.00 54.79 54.78 1iwa n ASP 152 Cb 0.22 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.36 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 1.85 -3.12 0.11 1.02 0.30 -5.04 120.64 114.80 1iwa n GLU 153 Ca 0.01 -1.43 -0.34 0.00 -0.02 0.00 0.00 57.16 55.38 1iwa n GLU 153 Cb 0.00 -1.11 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.80 4.10 0.00 3.49 0.52 -0.07 -4.93 118.95 121.26 1iwa s ARG 154 Ca 0.09 0.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1iwa s ARG 154 Cb 0.05 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1iwa s ARG 154 CO 0.07 0.24 0.00 0.66 0.02 0.00 0.00 175.30 176.29