#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 3.26 0.12 3.17 3.52 -1.26 -4.46 118.95 123.29 1iwa s ARG 9 Ca 0.00 -0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 54.60 1iwa s ARG 9 Cb 0.00 -2.95 -0.09 0.00 -1.56 0.00 0.00 34.95 30.35 1iwa s ARG 9 CO 0.00 -0.23 1.50 0.42 -0.81 0.00 0.00 175.30 176.19 1iwa s ILE 10 N 1.44 3.03 -0.26 4.11 -1.09 -1.26 -4.91 121.20 122.26 1iwa s ILE 10 Ca 0.05 0.69 0.12 0.00 -2.23 0.00 0.00 60.65 59.28 1iwa s ILE 10 Cb -0.14 -3.44 0.57 0.00 -1.58 0.00 0.00 42.46 37.87 1iwa s ILE 10 CO -0.05 0.04 1.53 0.35 -1.23 0.00 0.00 174.94 175.59 1iwa n THR 11 N 4.14 2.54 -1.97 2.92 -2.24 -1.26 -4.92 114.28 113.50 1iwa n THR 11 Ca 0.13 -2.11 -0.32 0.00 -2.27 0.00 0.00 64.05 59.48 1iwa n THR 11 Cb 0.41 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 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 -3.02 3.32 0.00 -0.78 -0.21 -1.26 -4.74 119.66 112.97 1iwa s GLN 12 Ca 0.46 1.09 0.00 0.00 0.02 0.00 0.00 55.36 56.93 1iwa s GLN 12 Cb 0.39 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.36 1iwa s GLN 12 CO 0.07 -0.80 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 1iwa n GLY 13 N -1.40 2.55 0.23 3.09 0.00 -1.26 -4.56 105.19 103.84 1iwa n GLY 13 Ca 0.08 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.49 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 0.87 -0.17 2.61 2.02 -0.75 -3.30 112.91 114.19 1iwa h THR 14 Ca 0.00 -0.78 -0.17 0.00 0.77 0.00 0.00 66.41 66.23 1iwa h THR 14 Cb 0.00 1.45 -0.24 0.00 -1.74 0.00 0.00 68.15 67.62 1iwa h THR 14 CO 0.00 0.20 -0.80 0.49 0.37 0.00 0.00 175.52 175.78 1iwa n PHE 15 N -3.89 0.57 0.86 3.16 3.72 -1.26 -4.85 117.46 115.77 1iwa n PHE 15 Ca -0.02 -1.37 0.11 0.00 -0.05 0.00 0.00 57.45 56.12 1iwa n PHE 15 Cb 0.29 -0.23 0.50 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.47 0.00 -0.34 4.37 7.64 -1.24 -2.28 113.62 121.30 1iwa n SER 16 Ca 0.17 0.31 0.13 0.00 1.01 0.00 0.00 58.87 60.49 1iwa n SER 16 Cb 0.89 -0.42 0.38 0.00 -1.01 0.00 0.00 64.21 64.06 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 -1.42 0.00 -4.09 1.43 3.72 -1.26 -4.83 117.46 111.00 1iwa n PHE 17 Ca 0.07 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 1iwa n PHE 17 Cb 0.23 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 -2.36 3.75 0.83 4.37 1.43 -0.97 -5.10 118.68 120.64 1iwa s LEU 18 Ca 0.27 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1iwa s LEU 18 Cb 0.20 -2.29 0.10 0.00 0.03 0.00 0.00 46.19 44.23 1iwa s LEU 18 CO 0.47 -0.07 1.17 -2.84 0.23 0.00 0.00 176.35 175.31 1iwa s PRO 19 N -3.85 1.52 0.23 1.29 0.02 -1.26 -4.87 135.00 128.08 1iwa s PRO 19 Ca 0.34 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 1iwa s PRO 19 Cb -0.07 -1.78 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 1iwa s PRO 19 CO 0.25 -2.27 1.22 -0.25 -0.33 0.00 0.00 177.00 175.61 1iwa n ASP 20 N -3.60 1.88 -4.76 2.53 10.43 -1.26 -4.89 116.55 116.87 1iwa n ASP 20 Ca 0.12 1.15 -0.39 0.00 2.57 0.00 0.00 54.79 58.25 1iwa n ASP 20 Cb 0.51 -1.32 -0.04 0.00 1.84 0.00 0.00 41.12 42.11 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 0.33 4.45 0.55 0.64 1.43 -1.26 -5.05 118.68 119.77 1iwa s LEU 21 Ca 0.67 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 1iwa s LEU 21 Cb -0.73 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1iwa s LEU 21 CO 0.54 -0.22 0.95 0.42 0.23 0.00 0.00 176.35 178.26 1iwa s THR 22 N -1.29 4.73 0.48 5.49 -4.23 -1.26 -4.80 115.64 114.76 1iwa s THR 22 Ca 0.48 0.77 0.21 0.00 -1.18 0.00 0.00 61.69 61.97 1iwa s THR 22 Cb -0.29 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 70.10 1iwa s THR 22 CO 0.37 -0.94 1.96 0.44 -0.54 0.00 0.00 174.62 175.91 1iwa h ASP 23 N 0.17 0.19 -0.37 3.99 5.19 -1.98 0.28 116.42 123.88 1iwa h ASP 23 Ca -0.45 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 55.90 1iwa h ASP 23 Cb 1.19 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1iwa h ASP 23 CO 0.62 0.10 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.72 1iwa h GLU 24 N 0.20 0.68 -0.48 3.56 4.22 -1.99 0.31 114.58 121.08 1iwa h GLU 24 Ca 0.30 -0.24 -0.07 0.00 0.08 0.00 0.00 59.36 59.43 1iwa h GLU 24 Cb 0.92 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1iwa h GLU 24 CO -0.05 0.81 0.01 1.96 -2.18 0.00 0.00 179.01 179.56 1iwa h GLN 25 N 0.49 0.84 -0.70 1.92 4.20 -1.04 -2.13 115.11 118.69 1iwa h GLN 25 Ca 0.10 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1iwa h GLN 25 Cb 0.53 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1iwa h GLN 25 CO 0.03 0.88 0.41 0.82 -0.67 0.00 0.00 178.83 180.29 1iwa h ILE 26 N 0.70 1.20 -0.67 2.54 2.04 -0.48 -2.14 117.51 120.69 1iwa h ILE 26 Ca 0.14 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.61 1iwa h ILE 26 Cb 0.49 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1iwa h ILE 26 CO 0.02 0.21 0.36 0.50 0.00 0.00 0.00 178.15 179.24 1iwa h LYS 27 N 0.95 0.62 -0.60 2.37 3.11 -0.65 -0.73 116.57 121.64 1iwa h LYS 27 Ca 0.25 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 58.00 1iwa h LYS 27 Cb -0.02 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.05 1iwa h LYS 27 CO -0.05 0.41 0.18 0.87 -2.81 0.00 0.00 179.45 178.06 1iwa h LYS 28 N 0.64 0.90 -0.25 1.90 1.57 -0.90 -1.38 116.57 119.05 1iwa h LYS 28 Ca 0.31 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1iwa h LYS 28 Cb 0.25 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1iwa h LYS 28 CO -0.21 0.78 -0.25 1.96 -0.57 0.00 0.00 179.45 181.16 1iwa h GLN 29 N 0.87 0.47 -0.05 3.15 1.08 -0.65 -2.01 115.11 117.98 1iwa h GLN 29 Ca 0.20 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1iwa h GLN 29 Cb 0.26 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1iwa h GLN 29 CO -0.01 0.69 -0.45 0.82 -0.95 0.00 0.00 178.83 178.93 1iwa h ILE 30 N 0.42 1.33 -0.54 2.54 2.04 -0.52 -0.62 117.51 122.15 1iwa h ILE 30 Ca 0.06 -1.59 -0.11 0.00 1.00 0.00 0.00 64.86 64.22 1iwa h ILE 30 Cb 0.67 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1iwa h ILE 30 CO 0.05 0.46 -0.10 0.44 0.00 0.00 0.00 178.15 179.01 1iwa h ASP 31 N 0.10 1.02 -0.54 1.72 3.32 -0.71 0.28 116.42 121.60 1iwa h ASP 31 Ca 0.00 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1iwa h ASP 31 Cb 0.84 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1iwa h ASP 31 CO 0.06 1.13 0.31 0.22 -1.72 0.00 0.00 179.24 179.25 1iwa h TYR 32 N 0.89 0.71 -0.38 4.55 3.20 -0.84 0.11 116.97 125.22 1iwa h TYR 32 Ca 0.14 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1iwa h TYR 32 Cb 0.66 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1iwa h TYR 32 CO 0.05 0.50 -0.10 0.52 -1.64 0.00 0.00 178.16 177.49 1iwa h MET 33 N 0.72 0.65 -0.45 1.82 2.86 -0.85 -2.39 114.93 117.28 1iwa h MET 33 Ca 0.19 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1iwa h MET 33 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1iwa h MET 33 CO -0.03 0.73 -0.25 0.82 1.06 0.00 0.00 176.91 179.24 1iwa h ILE 34 N 0.59 1.27 0.00 -1.22 2.04 -0.38 -2.19 117.51 117.62 1iwa h ILE 34 Ca 0.11 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1iwa h ILE 34 Cb 0.52 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1iwa h ILE 34 CO 0.03 0.48 -0.00 0.77 0.00 0.00 0.00 178.15 179.43 1iwa h SER 35 N 0.82 0.00 -0.53 1.72 4.64 -0.44 -2.58 113.55 117.18 1iwa h SER 35 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1iwa h SER 35 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1iwa h SER 35 CO 0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1iwa n LYS 36 N -3.09 3.86 -2.26 4.77 5.02 -0.93 -4.95 118.16 120.58 1iwa n LYS 36 Ca -0.01 -2.90 -0.16 0.00 -2.02 0.00 0.00 58.31 53.22 1iwa n LYS 36 Cb 0.23 -1.95 -0.02 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.63 -1.89 -2.89 1.97 4.01 -0.97 -4.95 118.16 114.07 1iwa n LYS 37 Ca 0.24 0.80 -0.34 0.00 -0.51 0.00 0.00 58.31 58.51 1iwa n LYS 37 Cb 0.95 -5.38 -0.07 0.00 -0.51 0.00 0.00 35.03 30.02 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 -5.51 4.05 0.00 -0.35 1.43 -0.86 -4.83 118.68 112.61 1iwa s LEU 38 Ca 0.00 1.61 -0.24 0.00 -1.03 0.00 0.00 54.13 54.47 1iwa s LEU 38 Cb 0.00 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 1iwa s LEU 38 CO 0.00 -0.26 0.75 0.00 0.23 0.00 0.00 176.35 177.06 1iwa s ALA 39 N -2.02 3.35 -0.18 4.21 0.00 0.87 -4.80 121.76 123.20 1iwa s ALA 39 Ca 0.58 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 1iwa s ALA 39 Cb -0.11 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1iwa s ALA 39 CO 0.16 -0.00 0.01 0.42 0.00 0.00 0.00 175.76 176.35 1iwa s ILE 40 N 0.28 4.28 0.16 0.00 1.01 0.02 0.20 121.20 127.15 1iwa s ILE 40 Ca 0.39 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.88 1iwa s ILE 40 Cb -0.19 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1iwa s ILE 40 CO 0.21 0.46 -0.13 -0.83 0.00 0.00 0.00 174.94 174.66 1iwa s GLY 41 N 0.50 1.21 -0.02 6.18 0.00 -0.04 0.43 107.32 115.57 1iwa s GLY 41 Ca -0.00 -1.50 0.08 0.00 0.00 0.00 0.00 44.72 43.29 1iwa s GLY 41 CO 0.02 -1.59 -0.25 -0.42 0.00 0.00 0.00 173.10 170.85 1iwa s ILE 42 N -2.86 2.10 0.03 0.90 1.01 -1.26 -0.79 121.20 120.34 1iwa s ILE 42 Ca 0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1iwa s ILE 42 Cb -0.01 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1iwa s ILE 42 CO 0.04 0.58 0.07 -1.61 0.00 0.00 0.00 174.94 174.02 1iwa s GLU 43 N -0.58 0.54 0.13 2.79 2.02 -0.39 -1.71 118.70 121.49 1iwa s GLU 43 Ca 0.09 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 1iwa s GLU 43 Cb -0.10 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.36 1iwa s GLU 43 CO -0.01 -0.13 0.38 1.52 0.02 0.00 0.00 175.26 177.05 1iwa s TYR 44 N -2.39 -0.10 -0.04 1.61 -0.85 -0.38 -0.16 117.35 115.04 1iwa s TYR 44 Ca -0.07 -0.24 -0.30 0.00 -0.52 0.00 0.00 57.07 55.93 1iwa s TYR 44 Cb -0.03 0.21 0.11 0.00 0.38 0.00 0.00 41.96 42.63 1iwa s TYR 44 CO -0.04 -0.71 1.06 0.95 -1.52 0.00 0.00 175.55 175.30 1iwa s THR 45 N -3.83 0.00 -0.17 -3.49 -4.23 -0.74 -0.58 115.64 102.60 1iwa s THR 45 Ca 0.05 -0.15 0.14 0.00 -1.18 0.00 0.00 61.69 60.55 1iwa s THR 45 Cb 0.02 -1.32 0.38 0.00 1.34 0.00 0.00 72.50 72.92 1iwa s THR 45 CO -0.10 0.00 1.19 -0.46 -0.54 0.00 0.00 174.62 174.72 1iwa n ASN 46 N -0.27 1.82 -3.57 3.99 0.23 -1.26 -0.99 115.26 115.20 1iwa n ASN 46 Ca -0.05 -3.55 -0.29 0.00 -0.53 0.00 0.00 54.58 50.16 1iwa n ASN 46 Cb 0.61 -0.48 -0.12 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 -3.03 3.04 -0.11 0.53 3.68 -1.26 -4.61 116.67 114.91 1iwa s ASP 47 Ca 0.35 -2.64 0.01 0.00 2.13 0.00 0.00 52.55 52.40 1iwa s ASP 47 Cb 0.34 -0.73 0.14 0.00 -1.45 0.00 0.00 42.92 41.22 1iwa s ASP 47 CO -0.05 -0.25 1.32 2.30 0.13 0.00 0.00 175.17 178.62 1iwa n ILE 48 N 3.47 1.62 -1.72 4.11 -6.64 -1.26 -4.87 119.36 114.07 1iwa n ILE 48 Ca 0.15 -0.52 -0.42 0.00 -1.77 0.00 0.00 62.75 60.19 1iwa n ILE 48 Cb 0.38 -0.96 -0.03 0.00 -1.44 0.00 0.00 39.64 37.59 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 -0.75 2.77 -0.27 4.28 2.46 -1.26 -4.82 115.29 117.69 1iwa s HIS 49 Ca 0.13 0.27 0.12 0.00 0.47 0.00 0.00 55.06 56.05 1iwa s HIS 49 Cb 0.11 -4.16 0.68 0.00 -0.13 0.00 0.00 32.58 29.08 1iwa s HIS 49 CO 0.02 -4.45 1.31 -0.35 -2.47 0.00 0.00 174.74 168.80 1iwa n PRO 50 N 4.29 0.08 -0.23 2.88 -0.04 -1.26 -1.14 135.00 139.58 1iwa n PRO 50 Ca 0.16 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.27 1iwa n PRO 50 Cb 0.36 -1.92 0.22 0.00 -0.04 0.00 0.00 33.50 32.11 1iwa n PRO 50 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1iwa n ARG 51 N -1.95 2.49 -1.62 0.54 5.12 -1.26 -4.75 116.66 115.24 1iwa n ARG 51 Ca -0.01 -2.26 -0.41 0.00 -1.93 0.00 0.00 57.85 53.24 1iwa n ARG 51 Cb 0.17 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 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 1.25 5.01 -0.22 0.55 5.15 -0.29 -4.77 115.26 121.93 1iwa n ASN 64 Ca 0.18 -2.77 0.31 0.00 -0.60 0.00 0.00 54.58 51.70 1iwa n ASN 64 Cb 0.54 -1.63 0.68 0.00 -0.53 0.00 0.00 39.78 38.85 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 5.79 2.90 -3.28 5.20 0.00 -1.86 -3.34 119.26 124.67 1iwa h ALA 65 Ca 0.64 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.84 1iwa h ALA 65 Cb 0.55 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.04 1iwa h ALA 65 CO 1.87 -1.42 -0.50 0.71 0.00 0.00 0.00 179.25 179.91 1iwa s TYR 66 N -4.73 3.36 0.66 0.00 2.02 -1.26 -5.08 117.35 112.32 1iwa s TYR 66 Ca -0.04 -2.89 -0.11 0.00 -0.37 0.00 0.00 57.07 53.65 1iwa s TYR 66 Cb 0.19 -3.04 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 1iwa s TYR 66 CO 0.67 -0.82 1.05 -1.58 -1.57 0.00 0.00 175.55 173.29 1iwa s TRP 67 N -0.02 3.38 0.31 2.71 0.52 -1.26 -4.98 118.94 119.60 1iwa s TRP 67 Ca 0.16 1.35 -0.29 0.00 0.02 0.00 0.00 56.10 57.34 1iwa s TRP 67 Cb -0.22 -2.80 -0.10 0.00 -1.15 0.00 0.00 33.47 29.19 1iwa s TRP 67 CO -0.02 -0.96 1.33 -1.21 0.02 0.00 0.00 176.95 176.10 1iwa s GLU 68 N -5.12 4.35 0.23 4.98 0.41 0.25 -4.76 118.70 119.03 1iwa s GLU 68 Ca 0.56 2.21 -0.12 0.00 -0.41 0.00 0.00 54.97 57.22 1iwa s GLU 68 Cb -0.12 -3.09 -0.08 0.00 -1.78 0.00 0.00 34.13 29.06 1iwa s GLU 68 CO 0.54 -0.23 0.59 0.96 -0.49 0.00 0.00 175.26 176.64 1iwa s ILE 69 N -0.86 4.85 -0.84 -1.63 -4.36 -1.26 -1.25 121.20 115.84 1iwa s ILE 69 Ca 0.51 0.69 -0.07 0.00 -0.26 0.00 0.00 60.65 61.52 1iwa s ILE 69 Cb -0.40 -3.65 0.21 0.00 1.25 0.00 0.00 42.46 39.87 1iwa s ILE 69 CO 0.50 -0.00 0.74 0.86 0.24 0.00 0.00 174.94 177.28 1iwa s TRP 70 N -1.75 3.78 0.12 1.37 -0.11 -0.69 -4.94 118.94 116.72 1iwa s TRP 70 Ca 0.46 -2.57 0.00 0.00 1.22 0.00 0.00 56.10 55.21 1iwa s TRP 70 Cb -0.12 -3.51 0.00 0.00 -1.50 0.00 0.00 33.47 28.34 1iwa s TRP 70 CO 0.20 -0.88 0.00 0.41 -4.62 0.00 0.00 176.95 172.06 1iwa n GLY 71 N 3.22 -1.86 3.79 5.86 0.00 -1.26 -4.64 105.19 110.30 1iwa n GLY 71 Ca 0.16 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1iwa n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 72 N 0.00 3.27 0.54 0.99 1.02 -1.26 -4.90 118.68 118.33 1iwa s LEU 72 Ca 0.00 1.79 -0.18 0.00 0.02 0.00 0.00 54.13 55.76 1iwa s LEU 72 Cb 0.00 -4.52 -0.06 0.00 0.02 0.00 0.00 46.19 41.63 1iwa s LEU 72 CO 0.00 -1.52 1.04 -2.16 0.02 0.00 0.00 176.35 173.74 1iwa s PRO 73 N -4.54 3.59 -0.11 1.29 0.04 -1.26 -4.90 135.00 129.11 1iwa s PRO 73 Ca 0.62 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.64 1iwa s PRO 73 Cb -0.16 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1iwa s PRO 73 CO 0.47 -0.59 0.93 -0.51 0.04 0.00 0.00 177.00 177.34 1iwa s LEU 74 N -3.98 4.25 -0.21 -3.56 1.02 0.17 -4.88 118.68 111.49 1iwa s LEU 74 Ca 0.65 1.42 0.02 0.00 0.02 0.00 0.00 54.13 56.24 1iwa s LEU 74 Cb -0.16 -3.43 -0.21 0.00 0.02 0.00 0.00 46.19 42.41 1iwa s LEU 74 CO 0.28 -0.38 0.01 0.49 0.02 0.00 0.00 176.35 176.77 1iwa n PHE 75 N 4.83 0.39 -2.36 0.29 3.72 -1.26 -0.80 117.46 122.26 1iwa n PHE 75 Ca 0.06 0.09 -0.24 0.00 -0.05 0.00 0.00 57.45 57.31 1iwa n PHE 75 Cb 0.49 -1.05 0.01 0.00 -0.94 0.00 0.00 39.48 37.99 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 -3.26 4.46 -4.67 4.37 8.00 -1.26 -4.72 116.55 119.48 1iwa n ASP 76 Ca -0.39 -3.61 -0.44 0.00 0.71 0.00 0.00 54.79 51.05 1iwa n ASP 76 Cb 1.03 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1iwa n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iwa n VAL 77 N -0.53 1.23 0.00 2.53 0.31 -1.26 -4.87 118.33 115.74 1iwa n VAL 77 Ca 0.38 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1iwa n VAL 77 Cb 0.77 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1iwa n VAL 77 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1iwa n THR 78 N 1.45 0.00 -3.83 2.52 -1.04 -1.26 -4.94 114.28 107.18 1iwa n THR 78 Ca 0.10 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.75 1iwa n THR 78 Cb 0.32 -0.55 -0.13 0.00 -1.82 0.00 0.00 70.33 68.15 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 -2.84 5.11 0.21 8.00 2.15 -1.26 -4.96 116.67 123.07 1iwa s ASP 79 Ca 0.00 -1.24 0.10 0.00 0.43 0.00 0.00 52.55 51.84 1iwa s ASP 79 Cb 0.00 -1.79 0.53 0.00 -0.30 0.00 0.00 42.92 41.36 1iwa s ASP 79 CO 0.00 -0.30 1.19 -0.81 -0.17 0.00 0.00 175.17 175.08 1iwa n PRO 80 N 4.71 0.07 -0.01 4.34 -0.04 -1.26 -0.85 135.00 141.96 1iwa n PRO 80 Ca -0.12 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1iwa n PRO 80 Cb 0.44 -1.92 0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1iwa n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iwa h ALA 81 N 1.37 0.64 -0.46 0.55 0.00 -1.96 -1.07 119.26 118.33 1iwa h ALA 81 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.43 1iwa h ALA 81 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1iwa h ALA 81 CO 0.00 0.69 0.23 0.00 0.00 0.00 0.00 179.25 180.17 1iwa h ALA 82 N 0.91 0.58 -0.31 0.00 0.00 -1.43 0.99 119.26 120.00 1iwa h ALA 82 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1iwa h ALA 82 Cb 1.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1iwa h ALA 82 CO 0.11 -0.13 -0.11 0.28 0.00 0.00 0.00 179.25 179.40 1iwa h VAL 83 N 0.45 1.29 0.00 0.00 2.07 -1.63 -2.90 116.25 115.52 1iwa h VAL 83 Ca 0.20 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1iwa h VAL 83 Cb 0.12 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1iwa h VAL 83 CO -0.15 0.38 -0.06 0.25 0.02 0.00 0.00 177.57 178.02 1iwa h LEU 84 N 0.40 0.00 0.34 2.57 7.12 -0.69 -1.72 115.31 123.33 1iwa h LEU 84 Ca 0.07 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 1iwa h LEU 84 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1iwa h LEU 84 CO 0.04 0.06 -0.16 0.15 -0.13 0.00 0.00 178.44 178.39 1iwa h PHE 85 N 0.00 -0.42 -0.67 1.25 3.57 -0.61 -2.03 116.94 118.04 1iwa h PHE 85 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1iwa h PHE 85 Cb 0.10 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1iwa h PHE 85 CO 0.00 -0.19 0.25 0.93 -2.23 0.00 0.00 178.31 177.07 1iwa h GLU 86 N -0.58 0.99 -0.36 1.11 4.39 -1.41 0.23 114.58 118.94 1iwa h GLU 86 Ca -0.05 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.50 1iwa h GLU 86 Cb 0.43 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1iwa h GLU 86 CO 0.08 0.82 0.19 0.82 -1.16 0.00 0.00 179.01 179.75 1iwa h ILE 87 N 0.97 1.00 -0.13 3.13 2.04 -1.26 0.31 117.51 123.57 1iwa h ILE 87 Ca 0.22 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 1iwa h ILE 87 Cb 0.21 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1iwa h ILE 87 CO -0.02 0.07 -0.44 0.78 0.00 0.00 0.00 178.15 178.55 1iwa h ASN 88 N 0.39 0.32 -0.36 1.72 -0.26 -0.91 -0.98 115.58 115.50 1iwa h ASN 88 Ca 0.15 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1iwa h ASN 88 Cb 0.04 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1iwa h ASN 88 CO -0.09 0.72 0.06 0.00 -1.06 0.00 0.00 177.43 177.06 1iwa h ALA 89 N 1.29 0.47 -0.15 -0.83 0.00 0.11 -2.59 119.26 117.57 1iwa h ALA 89 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 89 Cb 0.88 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1iwa h ALA 89 CO 0.07 0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.57 1iwa h ARG 91 N 0.12 0.27 -0.03 0.00 3.08 -1.08 0.20 114.38 116.93 1iwa h ARG 91 Ca 0.05 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 1iwa h ARG 91 Cb 0.12 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.13 1iwa h ARG 91 CO -0.01 0.18 -0.70 -0.22 -1.07 0.00 0.00 179.97 178.15 1iwa h LYS 92 N 0.28 0.53 0.00 0.04 3.11 -1.08 -2.71 116.57 116.74 1iwa h LYS 92 Ca 0.40 -0.53 -0.01 0.00 -2.81 0.00 0.00 60.65 57.70 1iwa h LYS 92 Cb 1.12 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1iwa h LYS 92 CO -0.10 1.16 -0.14 0.00 -2.81 0.00 0.00 179.45 177.55 1iwa h ALA 93 N 0.38 0.93 -2.06 5.00 0.00 -0.87 -3.37 119.26 119.28 1iwa h ALA 93 Ca -0.08 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.29 1iwa h ALA 93 Cb 1.38 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.77 1iwa h ALA 93 CO 0.14 0.04 -1.08 0.54 0.00 0.00 0.00 179.25 178.90 1iwa n ARG 94 N -3.06 1.38 0.19 0.00 5.12 0.61 -4.99 116.66 115.90 1iwa n ARG 94 Ca 0.03 -3.66 -0.14 0.00 -1.93 0.00 0.00 57.85 52.16 1iwa n ARG 94 Cb 0.55 -1.76 -0.07 0.00 -1.16 0.00 0.00 32.46 30.01 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 3.13 -0.64 -1.28 0.55 0.02 -1.65 -3.09 113.55 110.58 1iwa h SER 95 Ca 0.10 0.05 -0.63 0.00 -0.84 0.00 0.00 61.79 60.48 1iwa h SER 95 Cb 0.87 0.21 -0.18 0.00 0.14 0.00 0.00 62.40 63.45 1iwa h SER 95 CO 0.56 -0.36 1.16 -0.46 -1.14 0.00 0.00 176.83 176.59 1iwa n ASN 96 N -5.37 7.16 -4.06 3.07 6.94 -1.26 -4.60 115.26 117.13 1iwa n ASN 96 Ca -0.09 -3.29 -0.12 0.00 -0.02 0.00 0.00 54.58 51.06 1iwa n ASN 96 Cb 0.28 -1.25 -0.11 0.00 -2.36 0.00 0.00 39.78 36.33 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 -1.98 0.63 0.16 -2.53 0.40 -1.17 -4.78 117.98 108.71 1iwa s PHE 97 Ca 0.55 -0.57 -0.29 0.00 -0.60 0.00 0.00 56.93 56.02 1iwa s PHE 97 Cb 0.31 -0.38 -0.07 0.00 0.51 0.00 0.00 43.02 43.38 1iwa s PHE 97 CO -0.19 -0.11 0.93 0.71 0.70 0.00 0.00 175.22 177.25 1iwa s TYR 98 N -1.71 3.88 -0.03 0.36 1.51 -0.16 -4.24 117.35 116.95 1iwa s TYR 98 Ca -0.08 1.81 0.03 0.00 -1.01 0.00 0.00 57.07 57.82 1iwa s TYR 98 Cb -0.08 -2.99 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 1iwa s TYR 98 CO -0.01 0.33 -0.11 0.42 -1.11 0.00 0.00 175.55 175.07 1iwa s ILE 99 N -0.52 0.98 0.06 2.71 1.01 -0.69 -1.78 121.20 122.96 1iwa s ILE 99 Ca 0.43 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1iwa s ILE 99 Cb -0.24 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1iwa s ILE 99 CO 0.30 0.30 -0.09 -1.59 0.00 0.00 0.00 174.94 173.85 1iwa s LYS 100 N 0.22 0.65 -0.13 2.79 -2.85 0.77 -0.39 119.74 120.79 1iwa s LYS 100 Ca -0.05 -0.89 -0.04 0.00 -1.00 0.00 0.00 55.97 53.99 1iwa s LYS 100 Cb -0.10 -0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 35.21 1iwa s LYS 100 CO 0.01 0.08 0.03 0.08 0.10 0.00 0.00 175.35 175.64 1iwa s VAL 101 N -1.65 4.50 -0.04 1.79 1.01 -0.42 -1.27 120.40 124.32 1iwa s VAL 101 Ca -0.05 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1iwa s VAL 101 Cb -0.08 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1iwa s VAL 101 CO 0.00 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 1iwa s VAL 102 N -0.27 1.62 -0.24 2.92 1.01 0.03 -1.96 120.40 123.52 1iwa s VAL 102 Ca 0.07 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1iwa s VAL 102 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1iwa s VAL 102 CO 0.02 0.46 -0.02 -0.83 0.00 0.00 0.00 175.10 174.73 1iwa s GLY 103 N -0.19 1.66 -0.11 4.51 0.00 -0.34 -0.86 107.32 111.98 1iwa s GLY 103 Ca 0.01 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 1iwa s GLY 103 CO 0.01 0.50 0.05 -0.12 0.00 0.00 0.00 173.10 173.54 1iwa s PHE 104 N 1.46 3.30 0.00 1.90 5.36 0.13 -0.88 117.98 129.25 1iwa s PHE 104 Ca 0.04 0.26 0.04 0.00 -0.96 0.00 0.00 56.93 56.31 1iwa s PHE 104 Cb -0.15 -1.88 -0.03 0.00 -0.34 0.00 0.00 43.02 40.62 1iwa s PHE 104 CO -0.02 0.49 -0.10 0.45 -1.46 0.00 0.00 175.22 174.57 1iwa s SER 105 N -0.70 4.37 -0.13 6.13 0.15 -0.37 -0.09 113.70 123.06 1iwa s SER 105 Ca 0.12 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 56.71 1iwa s SER 105 Cb -0.12 -0.95 0.45 0.00 -1.71 0.00 0.00 66.02 63.69 1iwa s SER 105 CO 0.02 0.29 1.35 -1.20 1.20 0.00 0.00 173.24 174.90 1iwa n SER 106 N 1.66 3.50 -4.71 5.45 7.64 -1.26 -1.84 113.62 124.05 1iwa n SER 106 Ca -0.16 -2.79 -0.42 0.00 1.01 0.00 0.00 58.87 56.51 1iwa n SER 106 Cb 0.52 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.42 3.10 0.25 0.44 1.01 -1.26 -4.62 120.40 116.90 1iwa s VAL 107 Ca 0.36 0.78 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1iwa s VAL 107 Cb 0.28 -3.50 0.34 0.00 0.00 0.00 0.00 36.38 33.50 1iwa s VAL 107 CO 0.09 0.05 1.25 -1.14 0.00 0.00 0.00 175.10 175.36 1iwa n ARG 107 N 4.09 -0.06 -0.16 2.72 0.63 -1.26 0.89 116.66 123.51 1iwa n ARG 107 Ca 0.12 1.19 -0.11 0.00 -0.92 0.00 0.00 57.85 58.14 1iwa n ARG 107 Cb 0.41 -1.91 -0.00 0.00 0.45 0.00 0.00 32.46 31.41 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 0.99 0.00 5.14 0.00 -2.00 -3.41 103.07 103.79 1iwa h GLY 107 Ca 0.49 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1iwa h GLY 107 CO -0.75 0.76 0.00 1.39 0.00 0.00 0.00 176.54 177.94 1iwa n ILE 108 N -4.22 0.00 -3.68 2.60 -0.00 0.26 -4.99 119.36 109.32 1iwa n ILE 108 Ca -0.00 0.09 -0.25 0.00 -0.00 0.00 0.00 62.75 62.59 1iwa n ILE 108 Cb 0.40 -0.59 0.03 0.00 -0.00 0.00 0.00 39.64 39.48 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 -1.13 -3.07 -3.86 0.38 1.02 -0.53 -4.92 120.64 108.53 1iwa n GLU 109 Ca 0.00 0.56 -0.04 0.00 -0.02 0.00 0.00 57.16 57.65 1iwa n GLU 109 Cb 0.00 -4.78 0.02 0.00 -0.02 0.00 0.00 31.44 26.66 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 -3.94 -0.01 0.09 1.62 0.15 -0.77 -4.95 113.70 105.89 1iwa s SER 110 Ca 0.22 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.82 1iwa s SER 110 Cb -0.07 0.56 -0.07 0.00 -1.71 0.00 0.00 66.02 64.74 1iwa s SER 110 CO 0.83 -1.11 1.30 -0.89 1.20 0.00 0.00 173.24 174.58 1iwa s THR 111 N -2.25 3.64 -0.29 6.45 2.01 -1.26 -1.23 115.64 122.71 1iwa s THR 111 Ca 0.20 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1iwa s THR 111 Cb -0.03 -3.75 0.15 0.00 0.01 0.00 0.00 72.50 68.88 1iwa s THR 111 CO 0.06 0.09 1.12 2.30 -0.69 0.00 0.00 174.62 177.50 1iwa n ILE 112 N 3.96 1.17 -3.65 1.82 -5.35 -0.06 -4.95 119.36 112.31 1iwa n ILE 112 Ca 0.10 -1.19 -0.04 0.00 -0.27 0.00 0.00 62.75 61.36 1iwa n ILE 112 Cb 0.44 0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 38.65 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 -1.31 0.00 -0.28 7.28 2.07 -1.24 -4.98 121.20 122.74 1iwa s ILE 113 Ca 0.13 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.32 1iwa s ILE 113 Cb 0.09 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.83 1iwa s ILE 113 CO 0.05 0.00 0.55 -0.55 -1.91 0.00 0.00 174.94 173.09 1iwa s SER 114 N 0.14 -0.90 0.04 4.50 0.15 -1.26 -1.20 113.70 115.18 1iwa s SER 114 Ca 0.06 0.98 0.03 0.00 0.70 0.00 0.00 55.95 57.72 1iwa s SER 114 Cb -0.05 1.92 -0.02 0.00 -1.71 0.00 0.00 66.02 66.16 1iwa s SER 114 CO -0.14 -0.25 -0.10 0.72 1.20 0.00 0.00 173.24 174.67 1iwa s PHE 115 N 2.79 0.86 0.10 3.44 -0.71 -0.83 0.02 117.98 123.65 1iwa s PHE 115 Ca 0.09 -0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.28 1iwa s PHE 115 Cb -0.14 -0.51 -0.07 0.00 -1.21 0.00 0.00 43.02 41.10 1iwa s PHE 115 CO -0.18 -0.02 1.21 0.42 -1.34 0.00 0.00 175.22 175.31 1iwa s ILE 116 N -1.06 3.84 -0.07 -4.49 -1.09 -1.26 -1.31 121.20 115.76 1iwa s ILE 116 Ca -0.04 1.38 0.10 0.00 -2.23 0.00 0.00 60.65 59.86 1iwa s ILE 116 Cb -0.08 -3.88 0.16 0.00 -1.58 0.00 0.00 42.46 37.07 1iwa s ILE 116 CO 0.01 0.14 1.05 1.33 -1.23 0.00 0.00 174.94 176.24 1iwa n VAL 117 N 3.52 1.29 0.00 2.92 0.24 0.47 -4.71 118.33 122.06 1iwa n VAL 117 Ca 0.08 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 1iwa n VAL 117 Cb 0.45 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1iwa n VAL 117 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1iwa n ASN 118 N -0.91 0.00 -4.15 -1.34 2.85 -1.18 -4.91 115.26 105.62 1iwa n ASN 118 Ca 0.09 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.40 1iwa n ASN 118 Cb 0.53 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.44 1iwa n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1iwa s ARG 119 N -0.30 0.75 0.31 1.20 0.52 -1.26 -1.71 118.95 118.47 1iwa s ARG 119 Ca 0.00 -0.98 -0.28 0.00 -0.52 0.00 0.00 55.73 53.96 1iwa s ARG 119 Cb 0.00 -0.59 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 1iwa s ARG 119 CO 0.00 0.11 1.07 -1.25 0.02 0.00 0.00 175.30 175.26 1iwa s PRO 120 N -2.06 4.51 0.14 3.54 0.04 -1.26 -4.81 135.00 135.10 1iwa s PRO 120 Ca -0.01 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 1iwa s PRO 120 Cb -0.08 -3.00 0.14 0.00 0.04 0.00 0.00 34.50 31.61 1iwa s PRO 120 CO 0.01 0.13 0.95 1.63 0.04 0.00 0.00 177.00 179.76 1iwa n LYS 121 N 0.83 -0.15 -4.45 4.56 5.02 -1.26 -4.35 118.16 118.37 1iwa n LYS 121 Ca 0.01 0.94 -0.26 0.00 -2.02 0.00 0.00 58.31 56.98 1iwa n LYS 121 Cb 0.46 -1.40 -0.17 0.00 -0.02 0.00 0.00 35.03 33.91 1iwa n LYS 121 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1iwa s HIS 122 N -5.57 1.56 -0.39 2.13 5.04 -1.26 -5.11 115.29 111.68 1iwa s HIS 122 Ca -0.08 -0.64 -0.08 0.00 -1.54 0.00 0.00 55.06 52.71 1iwa s HIS 122 Cb 0.12 -1.16 0.06 0.00 0.04 0.00 0.00 32.58 31.64 1iwa s HIS 122 CO 0.44 -0.35 0.20 -2.00 -2.34 0.00 0.00 174.74 170.69 1iwa s GLU 123 N 0.90 2.60 0.23 2.88 2.56 -1.26 -4.93 118.70 121.68 1iwa s GLU 123 Ca -0.10 -1.35 -0.06 0.00 0.00 0.00 0.00 54.97 53.46 1iwa s GLU 123 Cb -0.15 -3.67 0.22 0.00 2.00 0.00 0.00 34.13 32.53 1iwa s GLU 123 CO 0.01 -0.84 1.77 -1.35 -0.56 0.00 0.00 175.26 174.28 1iwa h PRO 124 N 8.33 1.07 0.00 4.30 0.11 -1.99 -0.01 132.00 143.82 1iwa h PRO 124 Ca -0.23 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iwa h PRO 124 Cb 1.08 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1iwa h PRO 124 CO 0.70 0.92 0.00 0.41 -0.21 0.00 0.00 178.00 179.82 1iwa n GLY 125 N -0.79 -0.94 3.49 -0.55 0.00 -1.26 -4.56 105.19 100.57 1iwa n GLY 125 Ca 0.06 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 2.44 -0.08 1.61 0.40 -1.26 -1.65 117.98 119.43 1iwa s PHE 126 Ca 0.00 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1iwa s PHE 126 Cb 0.00 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1iwa s PHE 126 CO 0.00 0.52 0.15 1.21 0.70 0.00 0.00 175.22 177.80 1iwa s ASN 127 N -2.81 6.32 -0.23 1.36 2.47 0.67 -4.89 114.94 117.84 1iwa s ASN 127 Ca 0.23 0.41 0.01 0.00 0.42 0.00 0.00 52.86 53.93 1iwa s ASN 127 Cb -0.08 -2.01 0.03 0.00 -1.45 0.00 0.00 41.25 37.74 1iwa s ASN 127 CO 0.12 0.36 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.51 1iwa s LEU 128 N -1.31 2.86 -0.02 3.21 2.96 -1.26 -1.43 118.68 123.68 1iwa s LEU 128 Ca 0.19 -0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 52.98 1iwa s LEU 128 Cb -0.12 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1iwa s LEU 128 CO 0.09 -0.10 0.45 -0.04 -1.32 0.00 0.00 176.35 175.43 1iwa s MET 129 N 1.24 4.08 -0.54 1.98 -1.94 0.11 -4.95 119.30 119.28 1iwa s MET 129 Ca -0.01 0.48 0.04 0.00 -1.71 0.00 0.00 55.69 54.49 1iwa s MET 129 Cb -0.16 -3.28 0.14 0.00 2.01 0.00 0.00 34.83 33.54 1iwa s MET 129 CO -0.08 0.55 0.30 1.03 -0.01 0.00 0.00 175.02 176.80 1iwa s ARG 130 N -0.64 1.92 -0.17 2.03 0.52 -1.26 -2.46 118.95 118.87 1iwa s ARG 130 Ca 0.25 -2.63 -0.26 0.00 -0.52 0.00 0.00 55.73 52.57 1iwa s ARG 130 Cb -0.17 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 1iwa s ARG 130 CO 0.13 -1.16 0.86 -1.14 0.02 0.00 0.00 175.30 174.01 1iwa s GLN 131 N -0.38 4.30 -0.35 3.54 -0.44 -0.99 -4.92 119.66 120.41 1iwa s GLN 131 Ca 0.19 1.06 -0.29 0.00 -2.50 0.00 0.00 55.36 53.82 1iwa s GLN 131 Cb -0.21 -3.58 0.02 0.00 -1.64 0.00 0.00 33.01 27.60 1iwa s GLN 131 CO -0.03 -0.35 1.07 -1.21 0.50 0.00 0.00 175.29 175.27 1iwa s GLU 132 N 2.24 3.98 0.00 1.67 2.02 -1.26 -1.13 118.70 126.22 1iwa s GLU 132 Ca 0.39 0.93 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1iwa s GLU 132 Cb -0.16 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1iwa s GLU 132 CO 0.12 -1.00 0.00 -3.47 0.02 0.00 0.00 175.26 170.93 1iwa n ASP 133 N 7.05 0.00 -4.76 -0.19 2.03 -0.70 -4.98 116.55 115.00 1iwa n ASP 133 Ca 0.12 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.02 1iwa n ASP 133 Cb 0.48 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.84 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 4.27 4.58 3.13 -0.67 1.02 -1.26 -4.74 119.74 126.07 1iwa s LYS 134 Ca 0.00 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1iwa s LYS 134 Cb 0.00 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1iwa s LYS 134 CO 0.00 0.12 0.00 0.43 -0.92 0.00 0.00 175.35 174.98 1iwa n SER 135 N 1.27 0.00 -1.03 2.83 7.64 -1.26 -0.61 113.62 122.47 1iwa n SER 135 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.99 1iwa n SER 135 Cb 0.44 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.87 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 14.00 2.36 -1.57 1.43 5.12 -1.26 -4.98 116.66 131.76 1iwa n ARG 136 Ca 0.00 -2.03 -0.33 0.00 -1.93 0.00 0.00 57.85 53.56 1iwa n ARG 136 Cb 0.00 -1.49 0.07 0.00 -1.16 0.00 0.00 32.46 29.88 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 -1.61 4.72 0.00 0.55 0.01 0.22 -4.93 113.70 112.66 1iwa s SER 137 Ca 0.36 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.69 1iwa s SER 137 Cb 0.22 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 1iwa s SER 137 CO 0.31 -1.90 -0.03 -0.63 0.41 0.00 0.00 173.24 171.40 1iwa s ILE 138 N -2.35 0.21 -0.33 1.44 1.01 -1.26 -1.72 121.20 118.19 1iwa s ILE 138 Ca 0.68 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.05 1iwa s ILE 138 Cb -0.22 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.08 1iwa s ILE 138 CO 0.45 -0.00 0.12 -0.54 0.00 0.00 0.00 174.94 174.96 1iwa s LYS 139 N -0.22 2.84 0.26 2.79 -0.14 -0.28 -4.93 119.74 120.06 1iwa s LYS 139 Ca -0.01 -1.04 -0.08 0.00 -1.36 0.00 0.00 55.97 53.49 1iwa s LYS 139 Cb -0.02 -3.49 -0.06 0.00 -1.68 0.00 0.00 37.83 32.58 1iwa s LYS 139 CO -0.00 -0.59 0.57 0.71 -0.76 0.00 0.00 175.35 175.27 1iwa s TYR 140 N 1.47 3.45 -0.05 3.18 1.51 -1.26 -2.34 117.35 123.31 1iwa s TYR 140 Ca 0.01 0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 56.86 1iwa s TYR 140 Cb -0.19 -2.22 0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1iwa s TYR 140 CO 0.04 0.21 0.02 0.99 -1.11 0.00 0.00 175.55 175.70 1iwa s THR 141 N -1.95 0.13 -0.09 -0.71 2.01 -1.03 -4.97 115.64 109.02 1iwa s THR 141 Ca 0.46 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 1iwa s THR 141 Cb -0.11 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1iwa s THR 141 CO 0.25 0.19 0.07 -0.63 -0.69 0.00 0.00 174.62 173.81 1iwa s ILE 142 N 1.74 4.85 -0.20 1.82 1.01 -1.26 0.06 121.20 129.22 1iwa s ILE 142 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1iwa s ILE 142 Cb -0.13 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.34 1iwa s ILE 142 CO -0.03 0.60 0.45 -2.28 0.00 0.00 0.00 174.94 173.67 1iwa s HIS 143 N -0.97 -0.78 0.26 3.97 2.46 -0.52 -4.97 115.29 114.75 1iwa s HIS 143 Ca 0.15 1.53 -0.30 0.00 0.47 0.00 0.00 55.06 56.91 1iwa s HIS 143 Cb -0.12 0.34 -0.10 0.00 -0.13 0.00 0.00 32.58 32.57 1iwa s HIS 143 CO 0.04 -0.45 1.44 -1.54 -2.47 0.00 0.00 174.74 171.75 1iwa s SER 144 N 2.17 6.64 0.26 9.88 1.04 -1.26 -0.23 113.70 132.20 1iwa s SER 144 Ca -0.05 2.69 -0.03 0.00 0.48 0.00 0.00 55.95 59.04 1iwa s SER 144 Cb -0.10 -2.63 0.42 0.00 0.10 0.00 0.00 66.02 63.81 1iwa s SER 144 CO -0.14 -0.70 1.86 1.88 0.98 0.00 0.00 173.24 177.12 1iwa h TYR 145 N 4.84 1.12 -0.46 5.02 -1.99 -1.66 -1.45 116.97 122.40 1iwa h TYR 145 Ca -0.46 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.27 1iwa h TYR 145 Cb 1.22 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 1iwa h TYR 145 CO 0.59 0.54 0.18 0.93 -0.00 0.00 0.00 178.16 180.41 1iwa h GLU 146 N 1.07 0.65 0.00 4.88 4.39 -1.91 -1.97 114.58 121.69 1iwa h GLU 146 Ca 0.43 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1iwa h GLU 146 Cb 0.24 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1iwa h GLU 146 CO -0.20 0.54 0.00 0.43 -1.16 0.00 0.00 179.01 178.62 1iwa n SER 147 N -4.36 0.00 -0.10 1.42 7.64 -0.55 -0.97 113.62 116.70 1iwa n SER 147 Ca 0.03 0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.25 1iwa n SER 147 Cb 0.15 -0.30 0.57 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.30 0.00 -4.30 1.43 4.02 -0.74 -4.80 117.16 111.48 1iwa n TYR 148 Ca 0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.68 1iwa n TYR 148 Cb 0.06 -0.21 -0.08 0.00 -0.02 0.00 0.00 39.34 39.09 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 -2.57 2.16 0.81 -0.72 1.02 -0.14 -5.11 119.74 115.19 1iwa s LYS 149 Ca 0.26 -1.35 -0.12 0.00 0.02 0.00 0.00 55.97 54.78 1iwa s LYS 149 Cb 0.20 -2.15 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 1iwa s LYS 149 CO 0.50 0.40 1.16 -1.25 -0.92 0.00 0.00 175.35 175.24 1iwa s PRO 150 N -3.23 1.74 0.29 -1.68 0.04 -1.26 -4.84 135.00 126.07 1iwa s PRO 150 Ca 0.28 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1iwa s PRO 150 Cb -0.08 -1.81 0.74 0.00 0.04 0.00 0.00 34.50 33.39 1iwa s PRO 150 CO 0.17 -2.09 1.70 0.93 0.04 0.00 0.00 177.00 177.75 1iwa h GLU 151 N -1.07 0.39 -0.37 4.56 5.08 -1.95 -1.84 114.58 119.38 1iwa h GLU 151 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1iwa h GLU 151 Cb 1.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1iwa h GLU 151 CO 0.47 0.26 0.00 -0.40 -1.00 0.00 0.00 179.01 178.33 1iwa n ASP 152 N -5.05 0.37 0.00 1.42 5.75 -1.26 -3.08 116.55 114.70 1iwa n ASP 152 Ca 0.22 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1iwa n ASP 152 Cb 0.66 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.29 0.55 -3.13 0.11 1.02 -0.69 -5.07 120.64 113.14 1iwa n GLU 153 Ca 0.00 -0.62 -0.39 0.00 -0.02 0.00 0.00 57.16 56.13 1iwa n GLU 153 Cb 0.09 -0.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.24 4.38 0.00 3.49 0.52 -1.18 -4.95 118.95 120.98 1iwa s ARG 154 Ca 0.00 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1iwa s ARG 154 Cb 0.00 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1iwa s ARG 154 CO 0.00 0.60 0.00 0.66 0.02 0.00 0.00 175.30 176.58