#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 2.63 -0.08 3.17 3.52 -1.26 -4.43 118.95 122.50 1iwa s ARG 9 Ca 0.00 -0.99 -0.29 0.00 -0.13 0.00 0.00 55.73 54.32 1iwa s ARG 9 Cb 0.00 -2.64 -0.07 0.00 -1.56 0.00 0.00 34.95 30.68 1iwa s ARG 9 CO 0.00 -0.35 1.97 0.42 -0.81 0.00 0.00 175.30 176.54 1iwa s ILE 10 N 1.24 3.15 -0.46 4.11 -1.09 -1.26 -4.87 121.20 122.02 1iwa s ILE 10 Ca -0.00 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1iwa s ILE 10 Cb -0.16 -3.14 0.59 0.00 -1.58 0.00 0.00 42.46 38.18 1iwa s ILE 10 CO -0.10 -0.05 1.89 0.35 -1.23 0.00 0.00 174.94 175.81 1iwa n THR 11 N 6.32 3.16 -1.98 2.92 -2.24 -1.26 -4.92 114.28 116.28 1iwa n THR 11 Ca 0.22 -1.98 -0.31 0.00 -2.27 0.00 0.00 64.05 59.71 1iwa n THR 11 Cb 0.43 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -3.18 3.64 0.00 -0.78 -0.21 -1.26 -4.78 119.66 113.09 1iwa s GLN 12 Ca 0.55 0.75 0.00 0.00 0.02 0.00 0.00 55.36 56.67 1iwa s GLN 12 Cb 0.45 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 32.36 1iwa s GLN 12 CO 0.08 -0.51 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1iwa n GLY 13 N -2.57 1.71 0.29 3.09 0.00 -1.26 -4.45 105.19 101.99 1iwa n GLY 13 Ca 0.06 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 0.66 0.00 2.61 2.02 -0.97 -3.22 112.91 114.01 1iwa h THR 14 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1iwa h THR 14 Cb 0.00 0.99 -0.10 0.00 -1.74 0.00 0.00 68.15 67.30 1iwa h THR 14 CO 0.00 0.00 -0.51 0.49 0.37 0.00 0.00 175.52 175.87 1iwa n PHE 15 N -4.05 0.00 0.42 3.16 3.72 -1.26 -4.84 117.46 114.60 1iwa n PHE 15 Ca -0.03 -0.86 0.05 0.00 -0.05 0.00 0.00 57.45 56.57 1iwa n PHE 15 Cb 0.10 -0.16 0.24 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.59 0.00 0.01 4.37 7.64 -1.22 -1.71 113.62 122.13 1iwa n SER 16 Ca 0.12 0.38 0.12 0.00 1.01 0.00 0.00 58.87 60.49 1iwa n SER 16 Cb 0.79 -0.43 0.20 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.43 0.11 -3.73 1.43 3.72 -1.26 -4.84 117.46 111.46 1iwa n PHE 17 Ca 0.03 0.03 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 1iwa n PHE 17 Cb 0.11 -0.33 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 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 -3.28 4.19 1.03 4.37 1.43 -0.69 -5.07 118.68 120.65 1iwa s LEU 18 Ca 0.09 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 1iwa s LEU 18 Cb 0.16 -3.02 0.17 0.00 0.03 0.00 0.00 46.19 43.54 1iwa s LEU 18 CO 0.72 -0.17 0.87 -2.65 0.23 0.00 0.00 176.35 175.34 1iwa n PRO 19 N -1.56 -1.20 -1.67 1.29 -0.02 -1.26 -4.84 135.00 125.74 1iwa n PRO 19 Ca -0.07 -0.30 -0.46 0.00 -2.02 0.00 0.00 63.50 60.65 1iwa n PRO 19 Cb 0.57 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 -3.74 3.20 -4.76 2.55 10.43 -1.26 -4.91 116.55 118.06 1iwa n ASP 20 Ca 0.07 1.08 -0.35 0.00 2.57 0.00 0.00 54.79 58.16 1iwa n ASP 20 Cb 0.54 -1.44 0.04 0.00 1.84 0.00 0.00 41.12 42.10 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 1.04 3.54 0.57 0.64 1.43 -1.26 -5.03 118.68 119.60 1iwa s LEU 21 Ca 0.79 2.22 -0.03 0.00 -1.03 0.00 0.00 54.13 56.08 1iwa s LEU 21 Cb -0.66 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.00 1iwa s LEU 21 CO 0.38 -1.63 0.84 0.42 0.23 0.00 0.00 176.35 176.58 1iwa s THR 22 N -1.92 3.33 0.44 5.49 -4.23 -1.26 -4.88 115.64 112.60 1iwa s THR 22 Ca 0.73 -0.29 0.11 0.00 -1.18 0.00 0.00 61.69 61.06 1iwa s THR 22 Cb -0.26 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.51 1iwa s THR 22 CO 0.36 -0.27 2.03 0.44 -0.54 0.00 0.00 174.62 176.64 1iwa h ASP 23 N -0.06 0.23 0.58 3.99 5.19 -1.98 0.75 116.42 125.12 1iwa h ASP 23 Ca -0.45 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.91 1iwa h ASP 23 Cb 1.27 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.73 1iwa h ASP 23 CO 0.58 0.25 -0.28 -0.08 -3.12 0.00 0.00 179.24 176.59 1iwa h GLU 24 N 0.26 -0.75 -0.74 3.56 4.22 -1.99 0.12 114.58 119.27 1iwa h GLU 24 Ca 0.06 0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.60 1iwa h GLU 24 Cb 0.12 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1iwa h GLU 24 CO -0.00 -0.47 0.49 1.96 -2.18 0.00 0.00 179.01 178.80 1iwa h GLN 25 N -0.84 0.84 -0.36 1.92 4.20 -1.81 -0.07 115.11 118.98 1iwa h GLN 25 Ca -0.08 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1iwa h GLN 25 Cb 0.62 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1iwa h GLN 25 CO 0.13 0.55 -0.17 0.82 -0.67 0.00 0.00 178.83 179.50 1iwa h ILE 26 N 0.86 1.26 -0.81 2.54 2.04 -0.59 -1.38 117.51 121.44 1iwa h ILE 26 Ca 0.30 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 1iwa h ILE 26 Cb 0.11 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1iwa h ILE 26 CO -0.09 0.40 0.33 0.50 0.00 0.00 0.00 178.15 179.29 1iwa h LYS 27 N 0.60 1.20 -0.55 2.37 3.11 0.10 -0.63 116.57 122.78 1iwa h LYS 27 Ca 0.10 -0.21 -0.06 0.00 -2.81 0.00 0.00 60.65 57.66 1iwa h LYS 27 Cb 0.62 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1iwa h LYS 27 CO 0.04 0.96 0.10 0.87 -2.81 0.00 0.00 179.45 178.61 1iwa h LYS 28 N 1.17 0.90 -0.18 1.90 1.57 -0.74 -1.00 116.57 120.19 1iwa h LYS 28 Ca 0.27 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1iwa h LYS 28 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1iwa h LYS 28 CO -0.02 0.86 -0.12 1.96 -0.57 0.00 0.00 179.45 181.56 1iwa h GLN 29 N 0.79 0.28 -0.18 3.15 1.08 -0.77 -1.87 115.11 117.60 1iwa h GLN 29 Ca 0.17 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.15 1iwa h GLN 29 Cb 0.39 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1iwa h GLN 29 CO 0.01 0.41 -0.54 0.82 -0.95 0.00 0.00 178.83 178.57 1iwa h ILE 30 N 0.27 1.32 -0.32 2.54 2.04 -0.56 -1.52 117.51 121.29 1iwa h ILE 30 Ca 0.05 -1.79 0.01 0.00 1.00 0.00 0.00 64.86 64.13 1iwa h ILE 30 Cb 0.38 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1iwa h ILE 30 CO 0.02 0.55 0.18 0.44 0.00 0.00 0.00 178.15 179.35 1iwa h ASP 31 N 0.40 0.30 -0.22 1.72 3.32 -0.44 0.56 116.42 122.06 1iwa h ASP 31 Ca 0.01 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1iwa h ASP 31 Cb 1.08 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 1iwa h ASP 31 CO 0.10 0.22 -0.04 0.22 -1.72 0.00 0.00 179.24 178.01 1iwa h TYR 32 N 0.38 -0.10 -0.93 4.55 3.20 -1.15 0.24 116.97 123.16 1iwa h TYR 32 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1iwa h TYR 32 Cb 0.00 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1iwa h TYR 32 CO -0.08 -0.08 0.55 0.52 -1.64 0.00 0.00 178.16 177.42 1iwa h MET 33 N 0.01 1.27 -0.52 1.82 2.86 -0.92 -2.06 114.93 117.40 1iwa h MET 33 Ca 0.11 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1iwa h MET 33 Cb 0.16 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1iwa h MET 33 CO -0.22 0.90 0.01 0.82 1.06 0.00 0.00 176.91 179.49 1iwa h ILE 34 N 1.29 1.25 0.00 -1.22 2.04 -0.02 -2.18 117.51 118.67 1iwa h ILE 34 Ca 0.33 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1iwa h ILE 34 Cb -0.03 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1iwa h ILE 34 CO -0.06 0.37 -0.23 0.77 0.00 0.00 0.00 178.15 179.00 1iwa h SER 35 N 0.81 0.00 -0.85 1.72 4.64 0.11 -2.36 113.55 117.61 1iwa h SER 35 Ca 0.16 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.11 1iwa h SER 35 Cb 0.46 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.34 1iwa h SER 35 CO 0.02 0.23 0.46 0.29 -0.87 0.00 0.00 176.83 176.96 1iwa n LYS 36 N -4.03 2.95 -4.41 4.77 5.02 -0.91 -4.94 118.16 116.62 1iwa n LYS 36 Ca -0.02 -2.97 -0.39 0.00 -2.02 0.00 0.00 58.31 52.91 1iwa n LYS 36 Cb 0.30 -2.18 -0.06 0.00 -0.02 0.00 0.00 35.03 33.07 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 -0.62 -1.58 -2.89 1.97 4.01 -0.89 -4.93 118.16 113.23 1iwa n LYS 37 Ca 0.49 0.22 -0.30 0.00 -0.51 0.00 0.00 58.31 58.21 1iwa n LYS 37 Cb 1.51 -4.73 -0.03 0.00 -0.51 0.00 0.00 35.03 31.27 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 -7.26 3.85 -0.15 -0.35 1.43 -0.86 -4.85 118.68 110.50 1iwa s LEU 38 Ca 0.71 1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 54.75 1iwa s LEU 38 Cb -0.40 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1iwa s LEU 38 CO 0.99 -0.38 0.44 0.00 0.23 0.00 0.00 176.35 177.63 1iwa s ALA 39 N -2.34 3.51 -0.20 4.21 0.00 -0.10 -4.81 121.76 122.04 1iwa s ALA 39 Ca 0.51 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 1iwa s ALA 39 Cb -0.10 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1iwa s ALA 39 CO 0.31 -0.08 0.07 0.42 0.00 0.00 0.00 175.76 176.47 1iwa s ILE 40 N 0.82 4.72 0.16 0.00 1.01 0.07 -0.58 121.20 127.40 1iwa s ILE 40 Ca 0.23 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1iwa s ILE 40 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1iwa s ILE 40 CO 0.09 0.43 -0.16 -0.83 0.00 0.00 0.00 174.94 174.47 1iwa s GLY 41 N 0.63 1.30 -0.06 6.18 0.00 -0.56 0.84 107.32 115.66 1iwa s GLY 41 Ca 0.03 -1.46 0.05 0.00 0.00 0.00 0.00 44.72 43.34 1iwa s GLY 41 CO 0.01 -1.52 -0.22 -0.42 0.00 0.00 0.00 173.10 170.95 1iwa s ILE 42 N -2.25 1.81 0.08 0.90 1.01 -1.26 -0.69 121.20 120.79 1iwa s ILE 42 Ca 0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1iwa s ILE 42 Cb -0.04 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1iwa s ILE 42 CO 0.05 0.51 0.04 -1.61 0.00 0.00 0.00 174.94 173.93 1iwa s GLU 43 N -0.04 0.74 0.16 2.79 2.02 -0.66 -0.79 118.70 122.92 1iwa s GLU 43 Ca -0.05 -1.22 -0.19 0.00 0.02 0.00 0.00 54.97 53.53 1iwa s GLU 43 Cb -0.13 0.24 0.04 0.00 0.10 0.00 0.00 34.13 34.38 1iwa s GLU 43 CO 0.04 -0.18 0.51 1.52 0.02 0.00 0.00 175.26 177.17 1iwa s TYR 44 N -3.94 -0.28 0.01 1.61 -0.85 0.57 -1.19 117.35 113.28 1iwa s TYR 44 Ca 0.11 -0.02 -0.29 0.00 -0.52 0.00 0.00 57.07 56.35 1iwa s TYR 44 Cb 0.07 0.41 0.10 0.00 0.38 0.00 0.00 41.96 42.92 1iwa s TYR 44 CO -0.07 -0.83 1.01 0.95 -1.52 0.00 0.00 175.55 175.09 1iwa s THR 45 N -3.81 0.00 -0.20 -3.49 -4.23 -0.95 0.58 115.64 103.54 1iwa s THR 45 Ca 0.05 -0.23 0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1iwa s THR 45 Cb -0.00 -1.44 0.43 0.00 1.34 0.00 0.00 72.50 72.83 1iwa s THR 45 CO -0.09 0.00 1.21 -0.46 -0.54 0.00 0.00 174.62 174.74 1iwa n ASN 46 N -0.32 1.98 -3.52 3.99 0.23 -1.26 -1.32 115.26 115.04 1iwa n ASN 46 Ca -0.07 -3.68 -0.28 0.00 -0.53 0.00 0.00 54.58 50.03 1iwa n ASN 46 Cb 0.61 -0.49 -0.11 0.00 -2.08 0.00 0.00 39.78 37.71 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 -3.16 2.63 -0.10 0.53 3.68 -1.26 -4.66 116.67 114.33 1iwa s ASP 47 Ca 0.39 -2.79 0.01 0.00 2.13 0.00 0.00 52.55 52.28 1iwa s ASP 47 Cb 0.38 -0.65 0.15 0.00 -1.45 0.00 0.00 42.92 41.34 1iwa s ASP 47 CO -0.07 -0.22 1.25 2.30 0.13 0.00 0.00 175.17 178.56 1iwa n ILE 48 N 3.25 1.54 -1.70 4.11 -6.64 -1.26 -4.84 119.36 113.82 1iwa n ILE 48 Ca 0.20 -0.46 -0.44 0.00 -1.77 0.00 0.00 62.75 60.28 1iwa n ILE 48 Cb 0.41 -0.91 -0.03 0.00 -1.44 0.00 0.00 39.64 37.67 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 0.17 2.53 0.29 4.28 -0.00 -1.26 -4.81 115.22 116.42 1iwa n HIS 49 Ca 0.13 0.19 0.16 0.00 0.46 0.00 0.00 57.72 58.66 1iwa n HIS 49 Cb 0.75 -2.59 0.83 0.00 -0.12 0.00 0.00 29.99 28.86 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 5.95 0.00 -0.65 1.57 0.13 -1.96 -1.38 132.00 135.66 1iwa h PRO 50 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1iwa h PRO 50 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1iwa h PRO 50 CO 0.89 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.20 1iwa n ARG 51 N -2.72 3.46 -2.69 0.86 5.12 -1.26 -4.73 116.66 114.69 1iwa n ARG 51 Ca -0.02 -2.81 -0.43 0.00 -1.93 0.00 0.00 57.85 52.65 1iwa n ARG 51 Cb 0.23 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 1.20 5.12 0.22 0.55 5.15 -0.52 -4.81 115.26 122.17 1iwa n ASN 64 Ca 0.25 -3.01 0.15 0.00 -0.60 0.00 0.00 54.58 51.37 1iwa n ASN 64 Cb 0.81 -1.56 0.79 0.00 -0.53 0.00 0.00 39.78 39.29 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 6.69 1.00 -3.19 5.20 0.00 -1.87 -3.36 119.26 123.74 1iwa h ALA 65 Ca 0.36 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.63 1iwa h ALA 65 Cb 0.79 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.17 1iwa h ALA 65 CO 1.40 0.00 -0.56 0.71 0.00 0.00 0.00 179.25 180.80 1iwa s TYR 66 N -3.73 3.44 0.93 0.00 2.02 -1.26 -5.08 117.35 113.67 1iwa s TYR 66 Ca -0.03 -3.24 -0.12 0.00 -0.37 0.00 0.00 57.07 53.32 1iwa s TYR 66 Cb 0.09 -2.80 0.15 0.00 -0.40 0.00 0.00 41.96 38.99 1iwa s TYR 66 CO 0.30 -0.64 1.09 -1.58 -1.57 0.00 0.00 175.55 173.15 1iwa s TRP 67 N -0.96 2.26 0.26 2.71 0.52 -1.26 -4.97 118.94 117.49 1iwa s TRP 67 Ca 0.22 1.15 -0.30 0.00 0.02 0.00 0.00 56.10 57.19 1iwa s TRP 67 Cb -0.13 -3.20 -0.09 0.00 -1.15 0.00 0.00 33.47 28.89 1iwa s TRP 67 CO -0.10 -2.56 1.13 -1.21 0.02 0.00 0.00 176.95 174.23 1iwa s GLU 68 N -4.96 4.59 0.02 4.98 0.41 0.20 -4.76 118.70 119.18 1iwa s GLU 68 Ca 0.64 1.84 -0.18 0.00 -0.41 0.00 0.00 54.97 56.86 1iwa s GLU 68 Cb -0.18 -3.20 -0.06 0.00 -1.78 0.00 0.00 34.13 28.91 1iwa s GLU 68 CO 0.57 0.12 0.52 0.96 -0.49 0.00 0.00 175.26 176.94 1iwa s ILE 69 N -0.88 4.89 -0.90 -1.63 -4.36 -1.26 -0.31 121.20 116.74 1iwa s ILE 69 Ca 0.47 1.09 -0.16 0.00 -0.26 0.00 0.00 60.65 61.79 1iwa s ILE 69 Cb -0.32 -3.84 0.19 0.00 1.25 0.00 0.00 42.46 39.73 1iwa s ILE 69 CO 0.41 0.52 0.95 0.86 0.24 0.00 0.00 174.94 177.92 1iwa s TRP 70 N -0.78 3.54 0.00 1.37 -0.11 0.03 -4.95 118.94 118.04 1iwa s TRP 70 Ca 0.27 -1.81 0.00 0.00 1.22 0.00 0.00 56.10 55.78 1iwa s TRP 70 Cb -0.18 -4.02 0.00 0.00 -1.50 0.00 0.00 33.47 27.77 1iwa s TRP 70 CO 0.16 -1.19 0.00 0.41 -4.62 0.00 0.00 176.95 171.71 1iwa n GLY 71 N 4.48 -0.03 3.92 5.86 0.00 -1.26 -4.57 105.19 113.58 1iwa n GLY 71 Ca 0.19 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 4.19 0.21 0.99 2.96 -1.26 -4.97 118.68 120.80 1iwa s LEU 72 Ca 0.00 0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.07 1iwa s LEU 72 Cb 0.00 -3.24 -0.09 0.00 0.50 0.00 0.00 46.19 43.37 1iwa s LEU 72 CO 0.00 -0.07 1.31 -2.16 -1.32 0.00 0.00 176.35 174.10 1iwa s PRO 73 N -3.37 4.39 -0.18 0.98 0.04 -1.26 -4.88 135.00 130.72 1iwa s PRO 73 Ca 0.39 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 1iwa s PRO 73 Cb -0.11 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1iwa s PRO 73 CO 0.29 -0.24 1.52 -0.51 0.04 0.00 0.00 177.00 178.10 1iwa s LEU 74 N -0.23 4.06 0.00 -3.56 1.02 0.25 -4.83 118.68 115.39 1iwa s LEU 74 Ca 0.56 1.74 0.00 0.00 0.02 0.00 0.00 54.13 56.45 1iwa s LEU 74 Cb -0.37 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.31 1iwa s LEU 74 CO 0.39 -1.05 0.00 0.49 0.02 0.00 0.00 176.35 176.20 1iwa n PHE 75 N 7.64 0.00 -1.55 0.29 3.72 -1.26 -0.75 117.46 125.54 1iwa n PHE 75 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1iwa n PHE 75 Cb 0.45 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.07 3.39 -4.71 4.37 8.00 -1.26 -4.63 116.55 121.64 1iwa n ASP 76 Ca 0.00 -2.78 -0.42 0.00 0.71 0.00 0.00 54.79 52.30 1iwa n ASP 76 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.60 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 4.05 4.80 -0.03 2.53 1.01 -1.26 -4.90 120.40 126.61 1iwa s VAL 77 Ca 0.51 2.05 0.02 0.00 0.00 0.00 0.00 61.98 64.56 1iwa s VAL 77 Cb 0.14 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1iwa s VAL 77 CO -0.00 0.18 -0.01 0.41 0.00 0.00 0.00 175.10 175.68 1iwa n THR 78 N 3.76 0.20 -3.96 3.92 -1.04 -1.26 -4.92 114.28 110.97 1iwa n THR 78 Ca 0.06 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.05 61.62 1iwa n THR 78 Cb 0.51 -0.81 -0.14 0.00 -1.82 0.00 0.00 70.33 68.06 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 -3.72 4.14 0.64 8.00 2.15 -1.26 -4.99 116.67 121.62 1iwa s ASP 79 Ca -0.03 -0.66 0.41 0.00 0.43 0.00 0.00 52.55 52.70 1iwa s ASP 79 Cb 0.01 -1.67 2.26 0.00 -0.30 0.00 0.00 42.92 43.22 1iwa s ASP 79 CO 0.10 -0.07 2.27 1.55 -0.17 0.00 0.00 175.17 178.85 1iwa h PRO 80 N 8.04 0.00 -0.49 4.34 0.13 -1.93 -2.06 132.00 140.04 1iwa h PRO 80 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1iwa h PRO 80 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1iwa h PRO 80 CO 0.60 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.48 1iwa h ALA 81 N 1.94 1.29 -0.39 -0.56 0.00 -1.97 0.11 119.26 119.68 1iwa h ALA 81 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1iwa h ALA 81 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1iwa h ALA 81 CO 0.00 0.50 0.15 0.00 0.00 0.00 0.00 179.25 179.90 1iwa h ALA 82 N 1.41 1.54 0.14 0.00 0.00 -1.81 0.28 119.26 120.82 1iwa h ALA 82 Ca 0.16 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1iwa h ALA 82 Cb 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 17.92 1iwa h ALA 82 CO -0.00 0.36 -0.99 0.28 0.00 0.00 0.00 179.25 178.90 1iwa h VAL 83 N 0.55 1.41 -0.28 0.00 2.07 -1.46 -3.21 116.25 115.34 1iwa h VAL 83 Ca 0.14 -2.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 1iwa h VAL 83 Cb 0.12 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1iwa h VAL 83 CO -0.01 0.72 0.06 0.25 0.02 0.00 0.00 177.57 178.61 1iwa h LEU 84 N -0.12 0.36 -0.30 2.57 7.12 -0.38 -1.33 115.31 123.23 1iwa h LEU 84 Ca -0.16 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.79 1iwa h LEU 84 Cb 1.75 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.77 1iwa h LEU 84 CO 0.19 0.38 0.13 0.15 -0.13 0.00 0.00 178.44 179.16 1iwa h PHE 85 N 0.39 0.45 -0.14 1.25 3.57 -0.51 -1.84 116.94 120.12 1iwa h PHE 85 Ca 0.09 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 1iwa h PHE 85 Cb 0.18 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1iwa h PHE 85 CO 0.00 0.43 -0.53 0.93 -2.23 0.00 0.00 178.31 176.91 1iwa h GLU 86 N 0.35 0.40 -0.90 1.11 4.39 -1.47 -0.15 114.58 118.31 1iwa h GLU 86 Ca 0.10 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1iwa h GLU 86 Cb 0.16 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1iwa h GLU 86 CO -0.01 0.83 0.59 0.82 -1.16 0.00 0.00 179.01 180.08 1iwa h ILE 87 N 0.31 1.23 0.00 3.13 2.04 -1.07 0.26 117.51 123.42 1iwa h ILE 87 Ca 0.01 -0.43 -0.19 0.00 1.00 0.00 0.00 64.86 65.25 1iwa h ILE 87 Cb 1.03 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1iwa h ILE 87 CO 0.09 0.23 -0.89 0.78 0.00 0.00 0.00 178.15 178.36 1iwa h ASN 88 N 1.22 0.01 -0.51 1.72 -0.26 -1.17 -1.69 115.58 114.90 1iwa h ASN 88 Ca 0.33 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.96 1iwa h ASN 88 Cb -0.13 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1iwa h ASN 88 CO -0.07 0.89 -0.10 0.00 -1.06 0.00 0.00 177.43 177.10 1iwa h ALA 89 N 1.11 0.69 -0.15 -0.83 0.00 -0.28 -0.02 119.26 119.78 1iwa h ALA 89 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1iwa h ALA 89 Cb 1.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1iwa h ALA 89 CO 0.12 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1iwa h ARG 91 N 0.01 0.20 -0.89 0.00 3.08 -1.09 0.76 114.38 116.44 1iwa h ARG 91 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1iwa h ARG 91 Cb 0.37 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1iwa h ARG 91 CO 0.01 0.13 0.57 -0.22 -1.07 0.00 0.00 179.97 179.39 1iwa h LYS 92 N 0.21 1.18 0.13 0.04 3.11 -0.86 0.14 116.57 120.52 1iwa h LYS 92 Ca 0.29 -0.08 -0.28 0.00 -2.81 0.00 0.00 60.65 57.77 1iwa h LYS 92 Cb 0.44 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1iwa h LYS 92 CO -0.41 0.80 -1.26 0.00 -2.81 0.00 0.00 179.45 175.76 1iwa h ALA 93 N 1.31 0.10 -1.31 5.00 0.00 -0.39 -3.37 119.26 120.61 1iwa h ALA 93 Ca 0.32 -0.90 -0.53 0.00 0.00 0.00 0.00 54.91 53.80 1iwa h ALA 93 Cb -0.11 0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.29 1iwa h ALA 93 CO -0.07 0.98 -0.84 0.54 0.00 0.00 0.00 179.25 179.86 1iwa n ARG 94 N -3.53 2.94 -0.31 0.00 5.12 0.25 -4.92 116.66 116.21 1iwa n ARG 94 Ca -0.09 -4.20 0.15 0.00 -1.93 0.00 0.00 57.85 51.79 1iwa n ARG 94 Cb 1.03 -2.03 0.33 0.00 -1.16 0.00 0.00 32.46 30.62 1iwa n ARG 94 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1iwa h SER 95 N 2.63 0.13 -1.97 0.55 4.64 -0.88 -2.12 113.55 116.52 1iwa h SER 95 Ca 0.21 0.19 -0.76 0.00 -0.47 0.00 0.00 61.79 60.97 1iwa h SER 95 Cb 1.04 0.23 -0.28 0.00 -0.31 0.00 0.00 62.40 63.08 1iwa h SER 95 CO 0.75 -0.14 0.91 -0.46 -0.87 0.00 0.00 176.83 177.02 1iwa n ASN 96 N -5.18 7.28 -4.11 4.97 6.94 -1.26 -4.69 115.26 119.22 1iwa n ASN 96 Ca 0.24 -3.82 -0.11 0.00 -0.02 0.00 0.00 54.58 50.86 1iwa n ASN 96 Cb 0.74 -1.02 -0.11 0.00 -2.36 0.00 0.00 39.78 37.03 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 -4.05 0.73 0.15 -2.53 0.40 -0.80 -4.79 117.98 107.10 1iwa s PHE 97 Ca 0.51 -0.73 -0.30 0.00 -0.60 0.00 0.00 56.93 55.82 1iwa s PHE 97 Cb 0.42 -0.44 -0.07 0.00 0.51 0.00 0.00 43.02 43.45 1iwa s PHE 97 CO -0.39 -0.14 0.99 0.71 0.70 0.00 0.00 175.22 177.09 1iwa s TYR 98 N -2.55 3.79 -0.04 0.36 1.51 -0.43 -4.22 117.35 115.77 1iwa s TYR 98 Ca 0.00 1.78 0.04 0.00 -1.01 0.00 0.00 57.07 57.88 1iwa s TYR 98 Cb -0.02 -3.09 -0.00 0.00 -0.11 0.00 0.00 41.96 38.73 1iwa s TYR 98 CO -0.03 0.06 -0.15 0.42 -1.11 0.00 0.00 175.55 174.75 1iwa s ILE 99 N -0.27 1.24 0.13 2.71 1.01 0.26 -2.23 121.20 124.05 1iwa s ILE 99 Ca 0.46 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1iwa s ILE 99 Cb -0.25 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1iwa s ILE 99 CO 0.31 0.36 -0.09 -1.59 0.00 0.00 0.00 174.94 173.94 1iwa s LYS 100 N 0.06 0.97 -0.06 2.79 -2.85 -0.34 0.59 119.74 120.91 1iwa s LYS 100 Ca -0.03 -1.40 0.04 0.00 -1.00 0.00 0.00 55.97 53.58 1iwa s LYS 100 Cb -0.10 -0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 35.18 1iwa s LYS 100 CO 0.02 0.04 -0.16 0.08 0.10 0.00 0.00 175.35 175.42 1iwa s VAL 101 N -3.41 2.85 0.01 1.79 1.01 -0.41 -1.66 120.40 120.58 1iwa s VAL 101 Ca 0.15 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1iwa s VAL 101 Cb 0.03 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1iwa s VAL 101 CO -0.01 0.58 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 1iwa s VAL 102 N -0.47 1.76 -0.22 2.92 1.01 0.13 -1.97 120.40 123.55 1iwa s VAL 102 Ca 0.06 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1iwa s VAL 102 Cb -0.12 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1iwa s VAL 102 CO 0.02 0.40 -0.07 -0.83 0.00 0.00 0.00 175.10 174.62 1iwa s GLY 103 N -0.77 1.58 -0.14 4.51 0.00 0.05 -1.50 107.32 111.05 1iwa s GLY 103 Ca 0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1iwa s GLY 103 CO 0.00 0.43 0.02 -0.12 0.00 0.00 0.00 173.10 173.43 1iwa s PHE 104 N 1.41 3.18 -0.11 1.90 5.36 0.26 -0.43 117.98 129.54 1iwa s PHE 104 Ca 0.04 0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 56.05 1iwa s PHE 104 Cb -0.15 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 1iwa s PHE 104 CO -0.05 0.24 -0.07 0.45 -1.46 0.00 0.00 175.22 174.33 1iwa s SER 105 N -0.14 4.54 0.00 6.13 0.15 -0.74 -0.92 113.70 122.72 1iwa s SER 105 Ca 0.05 -0.12 0.16 0.00 0.70 0.00 0.00 55.95 56.74 1iwa s SER 105 Cb -0.12 -1.44 0.44 0.00 -1.71 0.00 0.00 66.02 63.19 1iwa s SER 105 CO 0.02 0.26 1.36 -1.20 1.20 0.00 0.00 173.24 174.88 1iwa n SER 106 N 2.90 3.33 -4.67 5.45 7.64 -1.26 -1.66 113.62 125.35 1iwa n SER 106 Ca -0.18 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.29 1iwa n SER 106 Cb 0.53 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1iwa n SER 106 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1iwa n VAL 107 N 1.00 0.67 -0.03 0.44 0.31 -1.26 -4.55 118.33 114.91 1iwa n VAL 107 Ca 0.17 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.37 1iwa n VAL 107 Cb 0.51 -2.26 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 1iwa n VAL 107 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1iwa n ARG 107 N 7.04 -0.03 0.28 5.55 0.63 -1.26 0.11 116.66 128.97 1iwa n ARG 107 Ca 0.20 0.12 0.17 0.00 -0.92 0.00 0.00 57.85 57.41 1iwa n ARG 107 Cb 0.40 -0.17 0.73 0.00 0.45 0.00 0.00 32.46 33.86 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 -1.99 -3.38 103.07 102.83 1iwa h GLY 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1iwa h GLY 107 CO -0.07 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.86 1iwa n ILE 108 N -3.18 0.00 -3.65 2.60 -0.00 0.29 -5.00 119.36 110.43 1iwa n ILE 108 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 1iwa n ILE 108 Cb 0.29 -0.69 0.04 0.00 -0.00 0.00 0.00 39.64 39.27 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 -1.06 -4.89 -3.81 0.38 1.02 -0.86 -4.96 120.64 106.44 1iwa n GLU 109 Ca 0.00 0.65 -0.05 0.00 -0.02 0.00 0.00 57.16 57.74 1iwa n GLU 109 Cb 0.00 -5.25 -0.00 0.00 -0.02 0.00 0.00 31.44 26.17 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 -4.30 -0.14 0.39 1.62 0.15 -0.66 -4.96 113.70 105.79 1iwa s SER 110 Ca 0.03 -0.63 -0.27 0.00 0.70 0.00 0.00 55.95 55.78 1iwa s SER 110 Cb -0.01 0.62 -0.10 0.00 -1.71 0.00 0.00 66.02 64.83 1iwa s SER 110 CO 0.80 -1.18 1.40 -0.89 1.20 0.00 0.00 173.24 174.57 1iwa s THR 111 N -3.13 2.31 0.00 6.45 2.01 -1.26 -1.79 115.64 120.23 1iwa s THR 111 Ca 0.14 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1iwa s THR 111 Cb -0.04 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1iwa s THR 111 CO 0.06 0.06 0.78 2.30 -0.69 0.00 0.00 174.62 177.12 1iwa n ILE 112 N 0.34 0.58 -3.65 1.82 -5.35 0.43 -4.89 119.36 108.63 1iwa n ILE 112 Ca 0.02 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 61.88 1iwa n ILE 112 Cb 0.41 0.74 -0.07 0.00 -1.74 0.00 0.00 39.64 38.98 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 -0.58 0.00 -0.23 7.28 2.07 -1.24 -4.97 121.20 123.53 1iwa s ILE 113 Ca 0.00 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1iwa s ILE 113 Cb 0.00 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.71 1iwa s ILE 113 CO 0.00 0.00 0.41 -0.55 -1.91 0.00 0.00 174.94 172.89 1iwa s SER 114 N 0.55 -0.05 0.05 4.50 0.15 -1.26 -0.77 113.70 116.87 1iwa s SER 114 Ca -0.00 0.58 0.03 0.00 0.70 0.00 0.00 55.95 57.26 1iwa s SER 114 Cb -0.04 1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 1iwa s SER 114 CO -0.12 -0.27 -0.10 0.72 1.20 0.00 0.00 173.24 174.67 1iwa s PHE 115 N 2.59 0.88 0.13 3.44 -0.71 -0.83 -0.25 117.98 123.22 1iwa s PHE 115 Ca 0.07 -0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 55.17 1iwa s PHE 115 Cb -0.14 -0.51 -0.07 0.00 -1.21 0.00 0.00 43.02 41.09 1iwa s PHE 115 CO -0.15 -0.03 1.20 0.42 -1.34 0.00 0.00 175.22 175.32 1iwa s ILE 116 N -1.34 3.78 0.00 -4.49 -1.09 -1.26 -1.29 121.20 115.51 1iwa s ILE 116 Ca -0.07 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1iwa s ILE 116 Cb -0.10 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1iwa s ILE 116 CO 0.01 0.17 0.74 1.33 -1.23 0.00 0.00 174.94 175.96 1iwa n VAL 117 N 3.20 0.55 -3.64 2.92 0.24 0.20 -4.75 118.33 117.04 1iwa n VAL 117 Ca 0.07 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.34 61.70 1iwa n VAL 117 Cb 0.45 0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.55 -0.48 0.05 -1.34 3.84 -1.03 -4.88 114.94 110.55 1iwa s ASN 118 Ca 0.00 0.78 0.06 0.00 0.21 0.00 0.00 52.86 53.91 1iwa s ASN 118 Cb 0.00 1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 41.83 1iwa s ASN 118 CO 0.00 -0.12 -0.17 -0.13 -2.79 0.00 0.00 177.10 173.88 1iwa s ARG 119 N 1.21 1.12 1.31 0.43 0.52 -1.26 -0.57 118.95 121.71 1iwa s ARG 119 Ca -0.08 -0.89 -0.21 0.00 -0.52 0.00 0.00 55.73 54.03 1iwa s ARG 119 Cb -0.04 -1.20 0.33 0.00 0.52 0.00 0.00 34.95 34.56 1iwa s ARG 119 CO -0.14 0.30 1.01 -1.25 0.02 0.00 0.00 175.30 175.24 1iwa s PRO 120 N -1.29 -2.10 0.12 3.54 0.04 -1.26 -4.83 135.00 129.22 1iwa s PRO 120 Ca 0.04 0.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 1iwa s PRO 120 Cb -0.09 -1.48 -0.06 0.00 0.04 0.00 0.00 34.50 32.92 1iwa s PRO 120 CO 0.02 -4.32 1.46 0.87 0.04 0.00 0.00 177.00 175.07 1iwa h LYS 121 N -3.02 0.78 -3.98 4.56 1.57 -1.91 -3.45 116.57 111.13 1iwa h LYS 121 Ca -0.45 -0.38 -0.32 0.00 -1.87 0.00 0.00 60.65 57.63 1iwa h LYS 121 Cb 1.32 -0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.32 1iwa h LYS 121 CO 0.32 1.00 -0.75 -1.58 -0.57 0.00 0.00 179.45 177.87 1iwa s HIS 122 N -4.49 0.36 -0.30 -1.35 5.04 -1.26 -5.13 115.29 108.16 1iwa s HIS 122 Ca -0.12 -0.05 -0.01 0.00 -1.54 0.00 0.00 55.06 53.33 1iwa s HIS 122 Cb 0.10 -0.32 0.05 0.00 0.04 0.00 0.00 32.58 32.45 1iwa s HIS 122 CO 0.84 -0.07 0.00 -2.00 -2.34 0.00 0.00 174.74 171.17 1iwa s GLU 123 N 0.40 2.39 0.47 2.88 2.56 -1.26 -4.95 118.70 121.20 1iwa s GLU 123 Ca -0.04 -1.30 0.12 0.00 0.00 0.00 0.00 54.97 53.75 1iwa s GLU 123 Cb -0.07 -3.18 1.09 0.00 2.00 0.00 0.00 34.13 33.97 1iwa s GLU 123 CO -0.01 -0.64 2.11 -1.35 -0.56 0.00 0.00 175.26 174.81 1iwa h PRO 124 N 7.98 0.23 0.00 4.30 0.11 -2.01 -2.39 132.00 140.22 1iwa h PRO 124 Ca -0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1iwa h PRO 124 Cb 1.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1iwa h PRO 124 CO 0.53 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1iwa n GLY 125 N -1.51 -1.32 3.42 -0.55 0.00 -1.26 -4.68 105.19 99.29 1iwa n GLY 125 Ca -0.00 -2.00 -0.23 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 2.11 -0.05 1.61 0.40 -1.26 -2.53 117.98 118.25 1iwa s PHE 126 Ca 0.00 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1iwa s PHE 126 Cb 0.00 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 1iwa s PHE 126 CO 0.00 0.58 0.04 1.21 0.70 0.00 0.00 175.22 177.74 1iwa s ASN 127 N -3.32 5.45 -0.22 1.36 2.47 0.93 -4.87 114.94 116.74 1iwa s ASN 127 Ca 0.26 0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.70 1iwa s ASN 127 Cb -0.04 -1.55 0.03 0.00 -1.45 0.00 0.00 41.25 38.24 1iwa s ASN 127 CO 0.12 0.34 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.48 1iwa s LEU 128 N -1.23 2.80 -0.11 3.21 2.96 -1.26 -2.02 118.68 123.03 1iwa s LEU 128 Ca 0.17 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 53.00 1iwa s LEU 128 Cb -0.12 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1iwa s LEU 128 CO 0.07 -0.09 0.43 -0.04 -1.32 0.00 0.00 176.35 175.40 1iwa s MET 129 N 1.25 4.28 -0.52 1.98 -1.94 -0.40 -4.97 119.30 118.98 1iwa s MET 129 Ca -0.00 0.36 -0.00 0.00 -1.71 0.00 0.00 55.69 54.34 1iwa s MET 129 Cb -0.16 -3.41 0.14 0.00 2.01 0.00 0.00 34.83 33.41 1iwa s MET 129 CO -0.08 0.24 0.30 1.03 -0.01 0.00 0.00 175.02 176.50 1iwa s ARG 130 N 0.40 2.18 -0.21 2.03 0.52 -1.26 -2.70 118.95 119.91 1iwa s ARG 130 Ca 0.23 -2.33 -0.21 0.00 -0.52 0.00 0.00 55.73 52.91 1iwa s ARG 130 Cb -0.15 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 1iwa s ARG 130 CO 0.09 -1.11 0.67 -1.14 0.02 0.00 0.00 175.30 173.83 1iwa s GLN 131 N 0.25 4.20 -0.37 3.54 -0.44 -1.01 -4.92 119.66 120.92 1iwa s GLN 131 Ca 0.14 0.67 -0.28 0.00 -2.50 0.00 0.00 55.36 53.39 1iwa s GLN 131 Cb -0.22 -3.60 0.02 0.00 -1.64 0.00 0.00 33.01 27.57 1iwa s GLN 131 CO -0.03 -0.31 1.06 -1.21 0.50 0.00 0.00 175.29 175.30 1iwa s GLU 132 N 2.13 3.94 0.00 1.67 2.02 -1.26 -0.64 118.70 126.56 1iwa s GLU 132 Ca 0.30 0.86 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1iwa s GLU 132 Cb -0.16 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.28 1iwa s GLU 132 CO 0.10 -1.03 0.00 -3.47 0.02 0.00 0.00 175.26 170.88 1iwa n ASP 133 N 7.09 0.00 -4.76 -0.19 2.03 -0.53 -4.98 116.55 115.20 1iwa n ASP 133 Ca 0.11 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.03 1iwa n ASP 133 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 4.67 3.77 1.46 -0.67 1.02 -1.26 -4.69 119.74 124.04 1iwa s LYS 134 Ca 0.00 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.12 1iwa s LYS 134 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1iwa s LYS 134 CO 0.00 -0.65 0.00 0.43 -0.92 0.00 0.00 175.35 174.21 1iwa n SER 135 N -0.19 0.00 -0.64 2.83 7.64 -1.26 -0.53 113.62 121.47 1iwa n SER 135 Ca 0.05 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.05 1iwa n SER 135 Cb 0.44 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.69 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 9.89 1.56 -1.72 1.43 5.12 -1.26 -5.00 116.66 126.68 1iwa n ARG 136 Ca 0.00 -1.28 -0.38 0.00 -1.93 0.00 0.00 57.85 54.26 1iwa n ARG 136 Cb 0.00 -1.47 0.05 0.00 -1.16 0.00 0.00 32.46 29.88 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 0.40 2.26 -4.02 0.55 7.64 0.31 -4.91 113.62 115.85 1iwa n SER 137 Ca 0.11 0.93 -0.21 0.00 1.01 0.00 0.00 58.87 60.71 1iwa n SER 137 Cb 0.51 -1.54 -0.15 0.00 -1.01 0.00 0.00 64.21 62.01 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 -1.33 0.87 -0.39 0.44 1.01 -1.26 -1.46 121.20 119.08 1iwa s ILE 138 Ca 0.74 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1iwa s ILE 138 Cb -0.42 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.33 1iwa s ILE 138 CO 0.47 0.26 0.22 -0.54 0.00 0.00 0.00 174.94 175.36 1iwa s LYS 139 N 0.12 2.79 0.34 2.79 -0.14 0.19 -4.93 119.74 120.89 1iwa s LYS 139 Ca -0.02 -1.16 -0.11 0.00 -1.36 0.00 0.00 55.97 53.31 1iwa s LYS 139 Cb -0.08 -3.76 -0.07 0.00 -1.68 0.00 0.00 37.83 32.23 1iwa s LYS 139 CO 0.01 -0.76 0.70 0.71 -0.76 0.00 0.00 175.35 175.24 1iwa s TYR 140 N 1.54 3.43 -0.06 3.18 1.51 -1.26 -2.40 117.35 123.29 1iwa s TYR 140 Ca 0.02 1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 57.08 1iwa s TYR 140 Cb -0.20 -2.40 0.04 0.00 -0.11 0.00 0.00 41.96 39.28 1iwa s TYR 140 CO 0.06 0.04 0.11 0.99 -1.11 0.00 0.00 175.55 175.65 1iwa s THR 141 N -2.14 -0.18 -0.14 -0.71 2.01 -1.10 -4.99 115.64 108.39 1iwa s THR 141 Ca 0.51 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 1iwa s THR 141 Cb -0.10 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1iwa s THR 141 CO 0.25 0.16 0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 1iwa s ILE 142 N 2.15 4.78 -0.12 1.82 1.01 -1.26 -1.27 121.20 128.31 1iwa s ILE 142 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1iwa s ILE 142 Cb -0.12 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.29 1iwa s ILE 142 CO -0.05 0.53 0.30 -2.28 0.00 0.00 0.00 174.94 173.45 1iwa s HIS 143 N -0.26 -0.39 0.23 3.97 2.46 -0.86 -4.98 115.29 115.47 1iwa s HIS 143 Ca 0.08 0.90 -0.30 0.00 0.47 0.00 0.00 55.06 56.21 1iwa s HIS 143 Cb -0.12 0.12 -0.09 0.00 -0.13 0.00 0.00 32.58 32.36 1iwa s HIS 143 CO 0.02 -0.23 1.19 -1.54 -2.47 0.00 0.00 174.74 171.71 1iwa s SER 144 N 0.87 7.09 0.48 9.88 1.04 -1.26 -0.05 113.70 131.75 1iwa s SER 144 Ca -0.06 2.32 0.17 0.00 0.48 0.00 0.00 55.95 58.86 1iwa s SER 144 Cb -0.07 -2.62 1.19 0.00 0.10 0.00 0.00 66.02 64.63 1iwa s SER 144 CO -0.06 -0.33 2.04 1.88 0.98 0.00 0.00 173.24 177.74 1iwa h TYR 145 N 4.59 0.19 -0.03 5.02 -1.99 -1.83 -0.38 116.97 122.55 1iwa h TYR 145 Ca -0.46 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.17 1iwa h TYR 145 Cb 1.21 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.87 1iwa h TYR 145 CO 0.60 0.10 -0.49 0.93 -0.00 0.00 0.00 178.16 179.30 1iwa h GLU 146 N 0.19 0.07 0.00 4.88 4.39 -1.91 -2.59 114.58 119.60 1iwa h GLU 146 Ca 0.19 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1iwa h GLU 146 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1iwa h GLU 146 CO -0.03 0.55 0.00 0.43 -1.16 0.00 0.00 179.01 178.80 1iwa n SER 147 N -3.95 0.00 -0.14 1.42 7.64 -0.15 -1.18 113.62 117.24 1iwa n SER 147 Ca -0.02 0.06 0.15 0.00 1.01 0.00 0.00 58.87 60.07 1iwa n SER 147 Cb 0.52 -0.27 0.75 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.27 0.00 -4.40 1.43 0.53 -0.98 -4.80 117.16 107.67 1iwa n TYR 148 Ca 0.07 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.71 1iwa n TYR 148 Cb 0.11 -0.06 -0.09 0.00 -1.03 0.00 0.00 39.34 38.27 1iwa n TYR 148 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 1iwa s LYS 149 N -2.15 1.91 0.63 -0.72 1.02 -0.33 -5.12 119.74 114.97 1iwa s LYS 149 Ca 0.40 -1.62 -0.16 0.00 0.02 0.00 0.00 55.97 54.60 1iwa s LYS 149 Cb 0.21 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1iwa s LYS 149 CO 0.39 0.35 1.11 -1.25 -0.92 0.00 0.00 175.35 175.03 1iwa s PRO 150 N -3.53 2.97 0.17 -1.68 0.04 -1.26 -4.87 135.00 126.82 1iwa s PRO 150 Ca 0.30 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 1iwa s PRO 150 Cb -0.06 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1iwa s PRO 150 CO 0.17 -1.13 1.61 0.93 0.04 0.00 0.00 177.00 178.62 1iwa h GLU 151 N 0.34 -0.21 0.00 4.56 5.08 -1.95 -0.78 114.58 121.62 1iwa h GLU 151 Ca -0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1iwa h GLU 151 Cb 1.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1iwa h GLU 151 CO 0.55 -0.14 0.06 -0.40 -1.00 0.00 0.00 179.01 178.08 1iwa n ASP 152 N -5.41 0.00 -0.03 1.42 5.75 -1.26 -1.33 116.55 115.69 1iwa n ASP 152 Ca 0.01 0.31 0.04 0.00 -0.01 0.00 0.00 54.79 55.15 1iwa n ASP 152 Cb 0.33 -0.31 0.06 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.29 2.29 -3.43 0.11 1.02 -0.30 -5.04 120.64 114.00 1iwa n GLU 153 Ca 0.00 -1.95 -0.36 0.00 -0.02 0.00 0.00 57.16 54.83 1iwa n GLU 153 Cb 0.06 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.78 3.93 0.00 3.49 0.52 -0.44 -4.89 118.95 119.78 1iwa s ARG 154 Ca 0.13 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1iwa s ARG 154 Cb 0.12 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1iwa s ARG 154 CO 0.01 0.54 0.00 0.66 0.02 0.00 0.00 175.30 176.53