#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwa n ARG 7 N 0.00 2.34 -0.55 -0.78 3.00 -1.26 -5.10 116.66 114.32 1iwa n ARG 7 Ca 0.00 -3.65 -0.30 0.00 -0.00 0.00 0.00 57.85 53.91 1iwa n ARG 7 Cb 0.00 -1.76 0.21 0.00 0.00 0.00 0.00 32.46 30.92 1iwa n ARG 7 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1iwa n ILE 8 N -0.59 0.00 -3.98 5.15 5.41 -1.26 -5.04 119.36 119.05 1iwa n ILE 8 Ca 0.22 -0.32 -0.22 0.00 1.00 0.00 0.00 62.75 63.43 1iwa n ILE 8 Cb 0.89 -0.75 -0.05 0.00 -0.71 0.00 0.00 39.64 39.01 1iwa n ILE 8 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1iwa s LYS 9 N -3.87 2.46 -0.43 0.38 2.47 -1.26 -5.08 119.74 114.41 1iwa s LYS 9 Ca 0.60 -1.51 0.08 0.00 -1.56 0.00 0.00 55.97 53.58 1iwa s LYS 9 Cb -0.16 -2.25 0.33 0.00 -1.46 0.00 0.00 37.83 34.29 1iwa s LYS 9 CO 0.63 0.06 0.99 -1.71 0.16 0.00 0.00 175.35 175.47 1iwa n ASN 10 N -1.25 -1.17 0.00 1.43 2.85 -1.26 -4.70 115.26 111.16 1iwa n ASN 10 Ca -0.02 -3.42 0.00 0.00 -0.11 0.00 0.00 54.58 51.03 1iwa n ASN 10 Cb 0.61 0.99 0.00 0.00 1.24 0.00 0.00 39.78 42.62 1iwa n ASN 10 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1iwa n SER 11 N 0.31 0.00 0.00 1.20 3.41 -1.26 -5.01 113.62 112.27 1iwa n SER 11 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.56 1iwa n SER 11 Cb 0.69 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.50 1iwa n SER 11 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1iwa n ARG 12 N 0.00 0.73 -0.97 4.33 3.00 -1.26 -4.16 116.66 118.32 1iwa n ARG 12 Ca 0.00 0.28 -0.20 0.00 -0.00 0.00 0.00 57.85 57.93 1iwa n ARG 12 Cb 0.00 -1.74 0.12 0.00 0.00 0.00 0.00 32.46 30.84 1iwa n ARG 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1iwa n TYR 13 N -3.36 2.36 -3.32 -0.14 4.02 -1.26 -4.92 117.16 110.54 1iwa n TYR 13 Ca -0.27 -1.72 -0.33 0.00 -0.01 0.00 0.00 57.90 55.57 1iwa n TYR 13 Cb 1.05 -0.87 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 1iwa n TYR 13 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1iwa s GLU 14 N -2.59 3.90 -0.67 -0.72 -1.05 -1.26 -4.36 118.70 111.96 1iwa s GLU 14 Ca 0.45 0.44 -0.34 0.00 -0.15 0.00 0.00 54.97 55.36 1iwa s GLU 14 Cb 0.37 -2.65 -0.17 0.00 -0.44 0.00 0.00 34.13 31.24 1iwa s GLU 14 CO 0.07 0.31 2.43 0.43 0.95 0.00 0.00 175.26 179.44 1iwa n SER 15 N 0.01 1.13 0.00 0.83 7.64 -1.26 -4.82 113.62 117.15 1iwa n SER 15 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1iwa n SER 15 Cb 0.52 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1iwa n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iwa n GLY 16 N 6.63 0.91 3.48 0.23 0.00 -1.26 -5.12 105.19 110.06 1iwa n GLY 16 Ca 0.53 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1iwa n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 17 N -2.00 4.39 0.27 1.61 1.01 -1.26 -3.57 120.40 120.84 1iwa s VAL 17 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1iwa s VAL 17 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 1iwa s VAL 17 CO 0.00 0.36 0.02 0.27 0.00 0.00 0.00 175.10 175.75 1iwa s ILE 18 N 1.39 1.12 0.81 2.22 -4.36 -1.26 -5.08 121.20 116.04 1iwa s ILE 18 Ca 0.05 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 1iwa s ILE 18 Cb -0.15 -2.52 0.08 0.00 1.25 0.00 0.00 42.46 41.12 1iwa s ILE 18 CO 0.04 -0.19 1.09 -2.16 0.24 0.00 0.00 174.94 173.95 1iwa s PRO 19 N -3.87 1.98 0.07 0.37 0.04 -1.26 -4.89 135.00 127.44 1iwa s PRO 19 Ca 0.32 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1iwa s PRO 19 Cb 0.07 -1.87 -0.19 0.00 0.04 0.00 0.00 34.50 32.54 1iwa s PRO 19 CO 0.12 -1.80 1.23 1.88 0.04 0.00 0.00 177.00 178.47 1iwa h TYR 20 N -1.24 0.97 -0.51 0.56 0.05 -1.90 -0.45 116.97 114.45 1iwa h TYR 20 Ca -0.45 -0.47 0.10 0.00 0.05 0.00 0.00 58.73 57.95 1iwa h TYR 20 Cb 1.25 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.83 1iwa h TYR 20 CO 0.53 1.30 0.35 0.00 -1.05 0.00 0.00 178.16 179.29 1iwa h ALA 21 N 0.47 2.11 0.00 3.88 0.00 -1.87 -1.17 119.26 122.68 1iwa h ALA 21 Ca -0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1iwa h ALA 21 Cb 1.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1iwa h ALA 21 CO 0.16 -0.23 -1.53 -0.22 0.00 0.00 0.00 179.25 177.43 1iwa h LYS 22 N 0.27 0.00 0.00 0.00 1.63 -1.92 -3.33 116.57 113.22 1iwa h LYS 22 Ca 0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1iwa h LYS 22 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1iwa h LYS 22 CO -0.05 0.39 0.00 -1.33 -3.45 0.00 0.00 179.45 175.01 1iwa n MET 22 N -2.97 0.43 -0.59 1.90 2.81 -0.18 -4.77 117.12 113.74 1iwa n MET 22 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1iwa n MET 22 Cb 0.94 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 1iwa n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iwa n GLY 23 N -0.09 0.72 0.04 3.03 0.00 -1.18 -4.93 105.19 102.78 1iwa n GLY 23 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1iwa n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iwa n TYR 24 N -2.50 0.00 -3.88 1.61 4.01 -0.92 -4.58 117.16 110.90 1iwa n TYR 24 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1iwa n TYR 24 Cb 0.00 -0.30 -0.13 0.00 -0.31 0.00 0.00 39.34 38.60 1iwa n TYR 24 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1iwa s TRP 25 N -2.71 3.28 -0.37 -0.72 -0.00 -1.26 -1.10 118.94 116.06 1iwa s TRP 25 Ca 0.22 -1.83 0.00 0.00 -0.00 0.00 0.00 56.10 54.50 1iwa s TRP 25 Cb 0.19 -2.18 0.14 0.00 -0.00 0.00 0.00 33.47 31.62 1iwa s TRP 25 CO 0.52 -0.80 0.21 1.21 -0.00 0.00 0.00 176.95 178.09 1iwa s ASN 26 N 1.30 3.15 0.13 5.86 3.84 -0.69 -4.96 114.94 123.57 1iwa s ASN 26 Ca -0.04 -2.28 0.20 0.00 0.21 0.00 0.00 52.86 50.95 1iwa s ASN 26 Cb -0.20 -0.56 0.82 0.00 -0.55 0.00 0.00 41.25 40.76 1iwa s ASN 26 CO -0.01 -0.30 1.61 -0.81 -2.79 0.00 0.00 177.10 174.80 1iwa n PRO 27 N 3.95 0.10 -0.18 0.43 -0.04 -1.26 -1.82 135.00 136.17 1iwa n PRO 27 Ca 0.11 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 1iwa n PRO 27 Cb 0.36 -1.68 0.22 0.00 -0.04 0.00 0.00 33.50 32.36 1iwa n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1iwa n ASP 28 N -1.87 3.44 -4.77 3.54 4.64 -1.26 -4.93 116.55 115.33 1iwa n ASP 28 Ca 0.03 -1.99 -0.41 0.00 -1.38 0.00 0.00 54.79 51.04 1iwa n ASP 28 Cb 0.21 -0.24 -0.01 0.00 -1.04 0.00 0.00 41.12 40.04 1iwa n ASP 28 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1iwa s TYR 29 N -1.51 2.77 -0.37 -0.67 5.04 -0.75 -4.98 117.35 116.86 1iwa s TYR 29 Ca 0.39 1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 56.04 1iwa s TYR 29 Cb 0.23 -3.93 0.01 0.00 0.35 0.00 0.00 41.96 38.62 1iwa s TYR 29 CO 0.32 -2.78 0.24 -0.65 -1.34 0.00 0.00 175.55 171.34 1iwa s GLN 30 N -1.59 3.08 0.26 4.97 -1.52 -1.26 -5.05 119.66 118.55 1iwa s GLN 30 Ca 0.54 -0.93 -0.30 0.00 -1.95 0.00 0.00 55.36 52.73 1iwa s GLN 30 Cb -0.45 -3.82 -0.10 0.00 -0.22 0.00 0.00 33.01 28.42 1iwa s GLN 30 CO 0.56 -0.63 1.37 0.08 -0.25 0.00 0.00 175.29 176.42 1iwa s VAL 31 N 1.64 2.80 0.24 1.09 1.01 -1.26 -5.03 120.40 120.90 1iwa s VAL 31 Ca 0.04 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1iwa s VAL 31 Cb -0.18 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1iwa s VAL 31 CO 0.09 0.13 0.34 -0.54 0.00 0.00 0.00 175.10 175.12 1iwa s LYS 32 N -0.73 3.38 0.00 2.72 1.02 -1.26 -4.98 119.74 119.88 1iwa s LYS 32 Ca 0.56 -0.80 0.22 0.00 0.02 0.00 0.00 55.97 55.97 1iwa s LYS 32 Cb -0.40 -2.85 1.13 0.00 -0.52 0.00 0.00 37.83 35.18 1iwa s LYS 32 CO 0.45 0.42 1.71 -0.25 -0.92 0.00 0.00 175.35 176.77 1iwa n ASP 33 N -1.39 0.00 -0.16 2.83 10.43 -1.26 -2.57 116.55 124.43 1iwa n ASP 33 Ca -0.09 -0.07 0.08 0.00 2.57 0.00 0.00 54.79 57.28 1iwa n ASP 33 Cb 0.57 -0.27 -0.06 0.00 1.84 0.00 0.00 41.12 43.21 1iwa n ASP 33 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1iwa n THR 34 N -1.27 0.00 -2.41 -3.53 -2.24 -1.26 -4.21 114.28 99.36 1iwa n THR 34 Ca 0.11 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1iwa n THR 34 Cb 0.17 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1iwa n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iwa s ASP 35 N -2.31 6.05 -0.14 3.42 1.01 -1.06 -3.88 116.67 119.76 1iwa s ASP 35 Ca 0.09 2.04 -0.12 0.00 0.71 0.00 0.00 52.55 55.28 1iwa s ASP 35 Cb 0.13 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1iwa s ASP 35 CO 0.57 -0.98 0.25 -0.69 0.21 0.00 0.00 175.17 174.52 1iwa s VAL 36 N -1.89 5.33 0.17 -1.27 1.01 0.52 -3.91 120.40 120.37 1iwa s VAL 36 Ca 0.70 0.46 0.11 0.00 0.00 0.00 0.00 61.98 63.24 1iwa s VAL 36 Cb -0.20 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1iwa s VAL 36 CO 0.23 0.47 -0.21 -0.76 0.00 0.00 0.00 175.10 174.83 1iwa s LEU 37 N -0.06 2.56 0.01 3.92 1.43 -0.54 0.10 118.68 126.10 1iwa s LEU 37 Ca 0.16 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1iwa s LEU 37 Cb -0.13 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1iwa s LEU 37 CO 0.04 0.13 -0.01 0.00 0.23 0.00 0.00 176.35 176.74 1iwa s ALA 38 N -1.54 0.04 -0.20 4.21 0.00 -0.72 -1.31 121.76 122.24 1iwa s ALA 38 Ca 0.20 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1iwa s ALA 38 Cb -0.09 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1iwa s ALA 38 CO 0.10 -0.09 -0.14 -1.17 0.00 0.00 0.00 175.76 174.47 1iwa s LEU 39 N -0.80 2.43 0.00 0.00 2.96 0.06 -1.70 118.68 121.64 1iwa s LEU 39 Ca -0.09 -0.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 1iwa s LEU 39 Cb -0.05 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1iwa s LEU 39 CO -0.00 -0.10 0.05 -0.36 -1.32 0.00 0.00 176.35 174.61 1iwa s PHE 40 N 1.31 3.20 -0.43 5.38 0.08 -0.73 -0.50 117.98 126.29 1iwa s PHE 40 Ca -0.00 0.15 -0.16 0.00 0.12 0.00 0.00 56.93 57.04 1iwa s PHE 40 Cb -0.16 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1iwa s PHE 40 CO -0.09 0.52 0.37 0.50 -0.10 0.00 0.00 175.22 176.41 1iwa s ARG 41 N -1.69 3.01 -0.17 0.44 3.52 0.16 -0.81 118.95 123.41 1iwa s ARG 41 Ca 0.22 -0.99 -0.06 0.00 -0.13 0.00 0.00 55.73 54.77 1iwa s ARG 41 Cb -0.12 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1iwa s ARG 41 CO 0.13 -0.84 0.02 0.08 -0.81 0.00 0.00 175.30 173.88 1iwa s VAL 42 N 1.85 4.42 -0.52 7.11 1.01 0.12 -1.37 120.40 133.02 1iwa s VAL 42 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1iwa s VAL 42 Cb -0.19 -2.96 0.13 0.00 0.00 0.00 0.00 36.38 33.36 1iwa s VAL 42 CO 0.11 0.48 0.27 -0.89 0.00 0.00 0.00 175.10 175.07 1iwa s THR 43 N 0.28 2.85 0.69 3.92 2.01 -0.34 -0.63 115.64 124.41 1iwa s THR 43 Ca 0.01 -3.06 -0.15 0.00 0.31 0.00 0.00 61.69 58.80 1iwa s THR 43 Cb -0.13 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1iwa s THR 43 CO 0.01 -0.79 1.15 -2.16 -0.69 0.00 0.00 174.62 172.15 1iwa s PRO 44 N -0.03 2.53 0.35 4.92 0.04 -1.26 0.14 135.00 141.69 1iwa s PRO 44 Ca 0.16 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 1iwa s PRO 44 Cb -0.24 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1iwa s PRO 44 CO -0.02 -1.49 1.26 -0.65 0.04 0.00 0.00 177.00 176.15 1iwa s GLN 45 N -3.99 4.29 -0.07 4.56 -1.52 0.10 -4.39 119.66 118.65 1iwa s GLN 45 Ca 0.70 2.11 -0.36 0.00 -1.95 0.00 0.00 55.36 55.87 1iwa s GLN 45 Cb -0.24 -2.99 -0.14 0.00 -0.22 0.00 0.00 33.01 29.42 1iwa s GLN 45 CO 0.42 -0.20 1.74 -0.35 -0.25 0.00 0.00 175.29 176.65 1iwa n PRO 46 N 0.65 1.82 0.00 2.91 -0.04 -1.26 -1.02 135.00 138.05 1iwa n PRO 46 Ca 0.01 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1iwa n PRO 46 Cb 0.43 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1iwa n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iwa n GLY 47 N 3.99 1.17 2.95 0.55 0.00 -1.26 -5.09 105.19 107.51 1iwa n GLY 47 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1iwa n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 48 N -2.00 1.23 0.19 1.61 1.01 -0.19 -5.11 120.40 117.14 1iwa s VAL 48 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1iwa s VAL 48 Cb 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 1iwa s VAL 48 CO 0.00 0.40 1.72 -0.62 0.00 0.00 0.00 175.10 176.60 1iwa s ASP 49 N 1.59 6.41 0.17 3.32 3.68 -1.26 -4.75 116.67 125.83 1iwa s ASP 49 Ca 0.04 2.83 -0.20 0.00 2.13 0.00 0.00 52.55 57.35 1iwa s ASP 49 Cb -0.13 -2.60 0.10 0.00 -1.45 0.00 0.00 42.92 38.84 1iwa s ASP 49 CO -0.09 -0.96 1.62 1.55 0.13 0.00 0.00 175.17 177.42 1iwa h PRO 50 N 7.01 -0.17 -0.69 4.34 0.13 -1.99 -0.44 132.00 140.19 1iwa h PRO 50 Ca -0.43 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.84 1iwa h PRO 50 Cb 1.20 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 1iwa h PRO 50 CO 0.95 -0.11 0.21 0.82 -0.23 0.00 0.00 178.00 179.64 1iwa h ILE 51 N -0.18 0.63 -0.23 -3.56 2.04 -1.98 -0.90 117.51 113.32 1iwa h ILE 51 Ca 0.20 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1iwa h ILE 51 Cb 0.49 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1iwa h ILE 51 CO -0.52 0.06 0.09 -0.08 0.00 0.00 0.00 178.15 177.69 1iwa h GLU 52 N 0.34 0.19 -0.39 2.37 4.57 -1.50 -1.00 114.58 119.17 1iwa h GLU 52 Ca 0.37 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.58 1iwa h GLU 52 Cb 0.57 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 1iwa h GLU 52 CO -0.42 0.13 0.15 0.00 -1.18 0.00 0.00 179.01 177.69 1iwa h ALA 53 N 1.14 0.46 -0.64 2.92 0.00 -0.19 0.21 119.26 123.16 1iwa h ALA 53 Ca 0.10 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1iwa h ALA 53 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1iwa h ALA 53 CO -0.10 -0.23 0.31 0.00 0.00 0.00 0.00 179.25 179.23 1iwa h ALA 54 N 1.24 0.85 -0.35 0.00 0.00 -0.82 0.19 119.26 120.36 1iwa h ALA 54 Ca 0.17 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1iwa h ALA 54 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1iwa h ALA 54 CO -0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 179.25 178.91 1iwa h ALA 55 N 1.38 1.16 -0.39 0.00 0.00 -0.36 -1.43 119.26 119.61 1iwa h ALA 55 Ca 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1iwa h ALA 55 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1iwa h ALA 55 CO -0.24 0.53 0.16 0.00 0.00 0.00 0.00 179.25 179.71 1iwa h ALA 56 N 1.33 0.51 -0.49 0.00 0.00 0.14 0.89 119.26 121.63 1iwa h ALA 56 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 56 Cb 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1iwa h ALA 56 CO 0.03 0.11 0.32 0.28 0.00 0.00 0.00 179.25 179.98 1iwa h VAL 57 N 0.49 1.10 -0.74 0.00 2.07 -0.33 0.19 116.25 119.04 1iwa h VAL 57 Ca 0.13 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1iwa h VAL 57 Cb 0.18 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1iwa h VAL 57 CO -0.01 0.12 0.25 0.00 0.02 0.00 0.00 177.57 177.94 1iwa h ALA 58 N 1.19 0.97 0.40 1.67 0.00 -0.97 -2.95 119.26 119.57 1iwa h ALA 58 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1iwa h ALA 58 Cb -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1iwa h ALA 58 CO -0.06 0.63 -0.19 0.78 0.00 0.00 0.00 179.25 180.41 1iwa h GLY 59 N 1.09 -0.57 1.23 0.00 0.00 -0.27 -3.11 103.07 101.44 1iwa h GLY 59 Ca 0.24 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1iwa h GLY 59 CO -0.01 -0.21 0.00 1.18 0.00 0.00 0.00 176.54 177.50 1iwa n GLU 60 N -5.19 0.01 -0.09 4.80 -0.58 0.63 -2.11 120.64 118.10 1iwa n GLU 60 Ca -0.10 0.11 0.02 0.00 -0.42 0.00 0.00 57.16 56.78 1iwa n GLU 60 Cb 0.29 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.69 1iwa n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1iwa n SER 61 N -1.12 1.33 0.07 1.62 3.41 -1.12 -4.02 113.62 113.80 1iwa n SER 61 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1iwa n SER 61 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1iwa n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iwa n SER 62 N -0.54 0.44 0.02 4.04 3.41 -0.90 -4.55 113.62 115.54 1iwa n SER 62 Ca 0.04 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1iwa n SER 62 Cb 0.47 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1iwa n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iwa n THR 63 N -3.34 0.00 -0.40 6.66 -2.24 -1.17 -4.91 114.28 108.88 1iwa n THR 63 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1iwa n THR 63 Cb 0.06 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 1iwa n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa n ALA 64 N -2.61 -1.51 -2.54 6.98 0.00 -1.09 -4.96 120.51 114.78 1iwa n ALA 64 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1iwa n ALA 64 Cb 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 1iwa n ALA 64 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1iwa s THR 65 N -0.25 0.34 0.51 0.00 -1.32 -1.26 -4.49 115.64 109.17 1iwa s THR 65 Ca 0.19 -1.40 0.37 0.00 -1.21 0.00 0.00 61.69 59.64 1iwa s THR 65 Cb -0.27 -0.97 0.58 0.00 -1.51 0.00 0.00 72.50 70.32 1iwa s THR 65 CO 0.16 -0.69 1.69 4.11 -2.21 0.00 0.00 174.62 177.68 1iwa h TRP 66 N 3.86 0.18 -3.40 9.09 5.08 -1.97 -3.38 115.95 125.41 1iwa h TRP 66 Ca -0.34 0.01 -0.43 0.00 1.08 0.00 0.00 58.89 59.20 1iwa h TRP 66 Cb 1.18 -0.05 -0.35 0.00 -3.00 0.00 0.00 29.16 26.94 1iwa h TRP 66 CO 0.61 -0.04 -0.78 -0.08 -1.28 0.00 0.00 178.44 176.87 1iwa s THR 67 N -5.05 0.61 0.94 0.12 -1.32 -1.26 -4.49 115.64 105.19 1iwa s THR 67 Ca -0.06 -0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 1iwa s THR 67 Cb 0.26 -0.64 0.16 0.00 -1.51 0.00 0.00 72.50 70.77 1iwa s THR 67 CO 0.84 0.25 1.12 -0.69 -2.21 0.00 0.00 174.62 173.93 1iwa s VAL 68 N 1.11 2.22 0.14 5.08 1.01 -1.23 -5.04 120.40 123.68 1iwa s VAL 68 Ca -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1iwa s VAL 68 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1iwa s VAL 68 CO -0.01 -0.09 0.09 0.68 0.00 0.00 0.00 175.10 175.77 1iwa s VAL 69 N -2.66 0.09 0.01 2.92 -7.23 -1.26 -4.68 120.40 107.59 1iwa s VAL 69 Ca 0.66 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1iwa s VAL 69 Cb -0.22 -2.08 -0.27 0.00 0.56 0.00 0.00 36.38 34.37 1iwa s VAL 69 CO 0.59 -0.39 0.89 4.11 -0.31 0.00 0.00 175.10 179.99 1iwa h TRP 70 N 2.80 0.40 0.00 2.82 5.08 -1.98 -3.34 115.95 121.73 1iwa h TRP 70 Ca -0.35 -0.29 0.00 0.00 1.08 0.00 0.00 58.89 59.33 1iwa h TRP 70 Cb 1.21 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1iwa h TRP 70 CO 0.42 1.33 0.13 0.25 -1.28 0.00 0.00 178.44 179.29 1iwa n THR 71 N -3.43 1.17 0.10 0.12 -2.24 -1.26 -0.50 114.28 108.25 1iwa n THR 71 Ca -0.15 0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1iwa n THR 71 Cb 1.04 -1.42 0.17 0.00 -2.10 0.00 0.00 70.33 68.02 1iwa n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1iwa h ASP 72 N 0.00 0.20 0.00 3.42 5.19 -1.94 -2.34 116.42 120.94 1iwa h ASP 72 Ca 0.00 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1iwa h ASP 72 Cb 0.25 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1iwa h ASP 72 CO 0.00 0.70 0.00 0.18 -3.12 0.00 0.00 179.24 177.00 1iwa n LEU 73 N -3.91 0.00 -1.16 1.55 7.99 0.35 -1.13 117.00 120.68 1iwa n LEU 73 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.07 1iwa n LEU 73 Cb 0.57 0.00 0.28 0.00 -0.11 0.00 0.00 43.42 44.15 1iwa n LEU 73 CO 0.43 0.00 0.74 0.18 -1.51 0.00 0.00 177.39 177.23 1iwa n LEU 74 N -0.69 3.92 -4.06 2.23 4.77 -0.88 -4.96 117.00 117.34 1iwa n LEU 74 Ca 0.05 -2.27 -0.11 0.00 -0.03 0.00 0.00 56.01 53.66 1iwa n LEU 74 Cb 0.02 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1iwa n LEU 74 CO 0.04 0.82 0.08 0.42 -1.33 0.00 0.00 177.39 177.42 1iwa s THR 75 N -1.49 0.00 -1.33 -5.08 -4.23 -0.28 -5.03 115.64 98.20 1iwa s THR 75 Ca 0.41 -1.57 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1iwa s THR 75 Cb 0.25 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1iwa s THR 75 CO 0.22 0.00 2.70 0.00 -0.54 0.00 0.00 174.62 177.01 1iwa n ALA 76 N -0.39 7.08 -0.19 3.99 0.00 -1.26 -4.80 120.51 124.93 1iwa n ALA 76 Ca -0.00 -3.69 0.01 0.00 0.00 0.00 0.00 53.44 49.76 1iwa n ALA 76 Cb 0.63 -2.96 0.04 0.00 0.00 0.00 0.00 19.45 17.16 1iwa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwa n ALA 77 N 2.45 0.01 -0.34 0.00 0.00 -1.26 0.86 120.51 122.24 1iwa n ALA 77 Ca 0.67 0.53 0.22 0.00 0.00 0.00 0.00 53.44 54.87 1iwa n ALA 77 Cb 0.29 -0.27 0.47 0.00 0.00 0.00 0.00 19.45 19.94 1iwa n ALA 77 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iwa h ASP 78 N 0.00 0.53 0.06 0.00 5.19 -1.94 -1.31 116.42 118.95 1iwa h ASP 78 Ca 0.21 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1iwa h ASP 78 Cb 0.33 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1iwa h ASP 78 CO -0.52 0.06 -0.03 0.25 -3.12 0.00 0.00 179.24 175.88 1iwa h LEU 79 N 0.44 -0.06 0.00 1.55 7.12 0.06 -3.04 115.31 121.37 1iwa h LEU 79 Ca 0.64 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.45 1iwa h LEU 79 Cb 1.49 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.63 1iwa h LEU 79 CO -0.40 0.17 0.00 -1.22 -0.13 0.00 0.00 178.44 176.86 1iwa n TYR 80 N -5.02 0.00 -3.34 1.25 4.01 -0.53 -4.63 117.16 108.91 1iwa n TYR 80 Ca -0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.27 1iwa n TYR 80 Cb 0.15 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 1iwa n TYR 80 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1iwa s ARG 81 N -2.02 4.07 0.34 -0.72 0.52 -1.00 -4.29 118.95 115.86 1iwa s ARG 81 Ca 0.32 0.17 -0.26 0.00 -0.52 0.00 0.00 55.73 55.44 1iwa s ARG 81 Cb 0.15 -3.63 -0.09 0.00 0.52 0.00 0.00 34.95 31.90 1iwa s ARG 81 CO 0.25 -0.24 1.03 0.00 0.02 0.00 0.00 175.30 176.36 1iwa s ALA 82 N 1.96 3.22 -0.07 2.13 0.00 -1.26 -4.84 121.76 122.90 1iwa s ALA 82 Ca 0.18 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1iwa s ALA 82 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1iwa s ALA 82 CO 0.09 -0.06 -0.18 -1.59 0.00 0.00 0.00 175.76 174.02 1iwa s LYS 83 N -2.01 2.12 -0.21 0.00 0.00 -0.85 -4.60 119.74 114.20 1iwa s LYS 83 Ca 0.51 -0.62 -0.24 0.00 0.00 0.00 0.00 55.97 55.61 1iwa s LYS 83 Cb -0.24 -1.72 -0.01 0.00 0.00 0.00 0.00 37.83 35.86 1iwa s LYS 83 CO 0.30 0.16 0.80 0.00 0.00 0.00 0.00 175.35 176.61 1iwa s ALA 84 N 0.32 3.58 -0.32 0.59 0.00 -0.26 -0.56 121.76 125.12 1iwa s ALA 84 Ca -0.11 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1iwa s ALA 84 Cb -0.15 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1iwa s ALA 84 CO 0.05 -0.76 0.61 2.48 0.00 0.00 0.00 175.76 178.14 1iwa n TYR 85 N 5.56 0.01 -3.64 0.00 4.11 -0.36 -1.70 117.16 121.14 1iwa n TYR 85 Ca 0.04 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.90 57.85 1iwa n TYR 85 Cb 0.48 -0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.76 1iwa n TYR 85 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1iwa s LYS 86 N -0.27 0.64 -0.09 -3.48 2.20 -1.23 -4.40 119.74 113.11 1iwa s LYS 86 Ca 0.03 1.17 -0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1iwa s LYS 86 Cb 0.02 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 1iwa s LYS 86 CO 0.03 -0.15 -0.06 0.08 -0.36 0.00 0.00 175.35 174.89 1iwa s VAL 87 N 1.76 0.87 0.17 4.02 1.01 -1.26 -0.87 120.40 126.10 1iwa s VAL 87 Ca -0.09 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1iwa s VAL 87 Cb -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1iwa s VAL 87 CO -0.19 0.33 -0.23 -1.81 0.00 0.00 0.00 175.10 173.20 1iwa s ASP 88 N 1.53 3.18 0.11 3.32 -0.00 -0.83 -4.95 116.67 119.03 1iwa s ASP 88 Ca 0.01 -0.84 -0.19 0.00 -0.00 0.00 0.00 52.55 51.52 1iwa s ASP 88 Cb -0.13 -0.22 -0.07 0.00 -0.00 0.00 0.00 42.92 42.50 1iwa s ASP 88 CO -0.05 0.09 0.60 -1.58 -0.00 0.00 0.00 175.17 174.22 1iwa s GLN 89 N -2.58 4.20 0.12 8.23 0.74 -1.26 0.26 119.66 129.37 1iwa s GLN 89 Ca 0.18 0.75 -0.31 0.00 0.05 0.00 0.00 55.36 56.03 1iwa s GLN 89 Cb -0.08 -3.16 -0.10 0.00 1.10 0.00 0.00 33.01 30.78 1iwa s GLN 89 CO 0.08 0.58 1.68 0.08 -0.55 0.00 0.00 175.29 177.16 1iwa s VAL 90 N -1.21 2.71 0.00 1.34 1.01 -0.54 -4.79 120.40 118.92 1iwa s VAL 90 Ca 0.32 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1iwa s VAL 90 Cb -0.19 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1iwa s VAL 90 CO 0.20 0.01 0.18 -2.65 0.00 0.00 0.00 175.10 172.84 1iwa n PRO 91 N 5.00 -0.01 -1.90 2.72 -0.02 -1.26 -1.67 135.00 137.86 1iwa n PRO 91 Ca 0.16 0.18 -0.28 0.00 -2.02 0.00 0.00 63.50 61.53 1iwa n PRO 91 Cb 0.39 -0.27 0.03 0.00 -0.02 0.00 0.00 33.50 33.64 1iwa n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1iwa n ASN 92 N -2.47 5.76 -3.20 2.55 5.03 -1.26 -4.85 115.26 116.82 1iwa n ASN 92 Ca 0.00 -3.76 0.01 0.00 0.87 0.00 0.00 54.58 51.70 1iwa n ASN 92 Cb 0.01 -0.56 -0.01 0.00 -1.02 0.00 0.00 39.78 38.19 1iwa n ASN 92 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1iwa s ASN 93 N -3.00 -1.32 0.00 6.41 3.84 -0.67 -5.02 114.94 115.18 1iwa s ASN 93 Ca 0.54 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 53.26 1iwa s ASN 93 Cb 0.44 1.87 0.13 0.00 -0.55 0.00 0.00 41.25 43.14 1iwa s ASN 93 CO -0.03 -0.24 0.52 -0.81 -2.79 0.00 0.00 177.10 173.74 1iwa n PRO 94 N 4.90 0.37 -0.02 0.43 -0.04 -1.26 -2.23 135.00 137.16 1iwa n PRO 94 Ca 0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1iwa n PRO 94 Cb 0.55 -1.09 -0.16 0.00 -0.04 0.00 0.00 33.50 32.76 1iwa n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iwa n GLU 95 N -0.59 0.64 -4.21 0.54 1.02 -1.26 -4.97 120.64 111.81 1iwa n GLU 95 Ca 0.02 -0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 56.72 1iwa n GLU 95 Cb 0.01 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 1iwa n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iwa s GLN 96 N -3.31 2.37 -0.00 3.49 -0.21 -0.94 -4.02 119.66 117.04 1iwa s GLN 96 Ca -0.08 -1.09 -0.09 0.00 0.02 0.00 0.00 55.36 54.12 1iwa s GLN 96 Cb 0.12 -2.35 0.01 0.00 1.00 0.00 0.00 33.01 31.78 1iwa s GLN 96 CO 0.83 0.46 0.17 0.71 -2.12 0.00 0.00 175.29 175.34 1iwa s TYR 97 N -1.67 -0.01 -0.30 0.91 1.51 0.20 -1.47 117.35 116.51 1iwa s TYR 97 Ca 0.27 -0.03 -0.16 0.00 -1.01 0.00 0.00 57.07 56.14 1iwa s TYR 97 Cb -0.10 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.72 1iwa s TYR 97 CO 0.18 -0.30 0.41 -0.06 -1.11 0.00 0.00 175.55 174.67 1iwa s PHE 98 N -1.30 3.22 -0.24 2.71 0.08 0.14 0.16 117.98 122.75 1iwa s PHE 98 Ca -0.14 0.27 -0.07 0.00 0.12 0.00 0.00 56.93 57.12 1iwa s PHE 98 Cb -0.07 -2.68 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1iwa s PHE 98 CO 0.02 -0.35 0.05 0.00 -0.10 0.00 0.00 175.22 174.84 1iwa s ALA 99 N 2.14 3.09 -0.14 5.36 0.00 0.01 -1.96 121.76 130.27 1iwa s ALA 99 Ca 0.15 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 1iwa s ALA 99 Cb -0.16 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1iwa s ALA 99 CO 0.11 -0.47 0.48 0.71 0.00 0.00 0.00 175.76 176.59 1iwa s TYR 100 N 1.58 3.48 -0.04 0.00 1.51 -0.05 -1.77 117.35 122.07 1iwa s TYR 100 Ca 0.06 0.85 0.03 0.00 -1.01 0.00 0.00 57.07 57.00 1iwa s TYR 100 Cb -0.15 -2.57 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 1iwa s TYR 100 CO 0.02 0.11 -0.11 0.42 -1.11 0.00 0.00 175.55 174.88 1iwa s ILE 101 N 0.84 0.95 -0.16 2.71 1.01 -0.69 -1.22 121.20 124.64 1iwa s ILE 101 Ca 0.25 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1iwa s ILE 101 Cb -0.15 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1iwa s ILE 101 CO 0.10 0.29 -0.03 0.00 0.00 0.00 0.00 174.94 175.30 1iwa s ALA 102 N 0.26 2.99 -0.14 9.38 0.00 0.27 -1.75 121.76 132.77 1iwa s ALA 102 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1iwa s ALA 102 Cb -0.10 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1iwa s ALA 102 CO 0.01 0.15 -0.17 0.71 0.00 0.00 0.00 175.76 176.46 1iwa s TYR 103 N 0.47 2.75 0.34 0.00 1.51 0.11 -2.01 117.35 120.53 1iwa s TYR 103 Ca -0.03 -1.03 -0.28 0.00 -1.01 0.00 0.00 57.07 54.71 1iwa s TYR 103 Cb -0.14 -1.86 -0.12 0.00 -0.11 0.00 0.00 41.96 39.73 1iwa s TYR 103 CO 0.03 -0.45 1.32 -1.91 -1.11 0.00 0.00 175.55 173.42 1iwa n GLU 104 N 3.94 2.21 0.02 -0.62 4.07 -1.26 -0.36 120.64 128.64 1iwa n GLU 104 Ca -0.19 0.77 -0.10 0.00 -0.06 0.00 0.00 57.16 57.58 1iwa n GLU 104 Cb 0.52 -2.38 -0.04 0.00 -0.06 0.00 0.00 31.44 29.48 1iwa n GLU 104 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1iwa h LEU 105 N 2.65 -0.74 0.00 4.31 6.46 -1.93 -2.42 115.31 123.63 1iwa h LEU 105 Ca -0.47 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1iwa h LEU 105 Cb 1.28 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 1iwa h LEU 105 CO 0.63 -0.30 0.15 0.47 -0.62 0.00 0.00 178.44 178.77 1iwa n ASP 106 N -5.37 0.00 0.21 1.25 9.92 -1.26 -1.34 116.55 119.96 1iwa n ASP 106 Ca -0.03 0.23 0.11 0.00 -0.53 0.00 0.00 54.79 54.56 1iwa n ASP 106 Cb 0.28 -0.23 0.15 0.00 -0.64 0.00 0.00 41.12 40.68 1iwa n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1iwa h LEU 107 N 0.00 0.00 -9.60 0.64 3.38 -1.80 -3.46 115.31 104.46 1iwa h LEU 107 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1iwa h LEU 107 Cb 0.31 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1iwa h LEU 107 CO 0.00 0.06 -0.59 -0.36 0.09 0.00 0.00 178.44 177.64 1iwa s PHE 108 N -3.18 3.25 -0.02 1.13 0.08 -0.45 -5.05 117.98 113.73 1iwa s PHE 108 Ca 0.07 0.15 -0.25 0.00 0.12 0.00 0.00 56.93 57.01 1iwa s PHE 108 Cb 0.05 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1iwa s PHE 108 CO 0.68 0.54 0.78 -2.00 -0.10 0.00 0.00 175.22 175.12 1iwa s GLU 109 N -2.03 4.49 0.22 0.44 2.12 -1.26 -4.99 118.70 117.68 1iwa s GLU 109 Ca 0.26 1.06 -0.32 0.00 0.36 0.00 0.00 54.97 56.33 1iwa s GLU 109 Cb -0.12 -3.42 -0.13 0.00 0.26 0.00 0.00 34.13 30.71 1iwa s GLU 109 CO 0.18 0.11 1.51 0.39 -0.54 0.00 0.00 175.26 176.91 1iwa n GLU 110 N 3.49 2.21 -1.63 4.30 4.71 -1.26 -2.79 120.64 129.66 1iwa n GLU 110 Ca -0.00 0.79 -0.20 0.00 -0.01 0.00 0.00 57.16 57.74 1iwa n GLU 110 Cb 0.51 -2.51 -0.08 0.00 -1.01 0.00 0.00 31.44 28.34 1iwa n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iwa n GLY 111 N 2.71 1.78 3.13 0.62 0.00 -1.21 -4.98 105.19 107.24 1iwa n GLY 111 Ca 0.13 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1iwa n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iwa s SER 112 N -2.75 4.69 0.33 1.61 0.15 -1.12 -4.93 113.70 111.68 1iwa s SER 112 Ca 0.00 -1.31 0.11 0.00 0.70 0.00 0.00 55.95 55.45 1iwa s SER 112 Cb 0.00 -1.64 0.56 0.00 -1.71 0.00 0.00 66.02 63.23 1iwa s SER 112 CO 0.00 -0.23 1.74 0.40 1.20 0.00 0.00 173.24 176.35 1iwa h ILE 113 N 6.58 1.33 -0.34 6.45 1.08 -1.93 -2.26 117.51 128.42 1iwa h ILE 113 Ca -0.21 -1.59 -0.05 0.00 -0.39 0.00 0.00 64.86 62.63 1iwa h ILE 113 Cb 1.05 1.83 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1iwa h ILE 113 CO 0.50 0.46 0.04 0.00 -0.69 0.00 0.00 178.15 178.46 1iwa h ALA 114 N 1.51 0.46 -0.16 1.87 0.00 -1.93 -1.19 119.26 119.82 1iwa h ALA 114 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1iwa h ALA 114 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1iwa h ALA 114 CO 0.06 0.18 0.04 -0.97 0.00 0.00 0.00 179.25 178.56 1iwa h ASN 115 N 0.41 0.24 0.08 0.00 -0.00 -1.90 -0.70 115.58 113.70 1iwa h ASN 115 Ca 0.10 -0.23 0.02 0.00 -0.00 0.00 0.00 56.30 56.19 1iwa h ASN 115 Cb 0.39 -0.06 -0.05 0.00 -0.00 0.00 0.00 38.32 38.60 1iwa h ASN 115 CO 0.01 0.41 -0.44 0.25 -0.00 0.00 0.00 177.43 177.66 1iwa h LEU 116 N 0.06 -1.30 -1.25 0.34 5.85 -1.31 -0.53 115.31 117.17 1iwa h LEU 116 Ca 0.05 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1iwa h LEU 116 Cb 0.26 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1iwa h LEU 116 CO 0.00 -0.49 0.44 0.71 -0.34 0.00 0.00 178.44 178.76 1iwa h THR 117 N -0.64 1.19 -0.77 1.05 1.35 -1.21 -1.42 112.91 112.46 1iwa h THR 117 Ca 0.03 -0.40 -0.05 0.00 -0.55 0.00 0.00 66.41 65.44 1iwa h THR 117 Cb 0.68 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 1iwa h THR 117 CO -0.28 0.20 0.28 0.00 -0.25 0.00 0.00 175.52 175.47 1iwa h ALA 118 N 1.52 1.00 0.45 6.62 0.00 -0.59 0.12 119.26 128.38 1iwa h ALA 118 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 118 Cb -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1iwa h ALA 118 CO -0.05 0.65 -0.22 0.77 0.00 0.00 0.00 179.25 180.41 1iwa h SER 119 N 1.13 -0.51 -0.14 0.00 0.02 -0.53 -1.00 113.55 112.51 1iwa h SER 119 Ca 0.25 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1iwa h SER 119 Cb 0.26 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1iwa h SER 119 CO -0.02 -0.13 -0.02 0.40 -1.14 0.00 0.00 176.83 175.93 1iwa h ILE 120 N -0.97 1.28 -0.21 3.27 1.08 -1.27 -3.34 117.51 117.34 1iwa h ILE 120 Ca -0.06 -0.93 -0.05 0.00 -0.39 0.00 0.00 64.86 63.43 1iwa h ILE 120 Cb 0.57 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 1iwa h ILE 120 CO 0.10 0.27 -0.06 2.30 -0.69 0.00 0.00 178.15 180.07 1iwa n ILE 121 N -4.73 2.27 -0.01 -0.67 -5.35 0.43 -4.78 119.36 106.52 1iwa n ILE 121 Ca -0.06 -2.32 -0.12 0.00 -0.27 0.00 0.00 62.75 59.99 1iwa n ILE 121 Cb 0.24 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 37.81 1iwa n ILE 121 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1iwa h GLY 122 N 1.09 0.13 0.00 3.28 0.00 -1.14 -3.44 103.07 102.99 1iwa h GLY 122 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwa h GLY 122 CO 0.20 0.06 -0.55 0.70 0.00 0.00 0.00 176.54 176.96 1iwa n ASN 123 N -4.95 1.58 -0.31 0.19 3.02 -1.26 -4.89 115.26 108.64 1iwa n ASN 123 Ca -0.06 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.75 1iwa n ASN 123 Cb 0.10 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 39.69 1iwa n ASN 123 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1iwa n VAL 124 N -2.26 -0.11 1.07 2.41 0.24 -1.26 0.03 118.33 118.47 1iwa n VAL 124 Ca 0.00 1.01 0.10 0.00 -2.04 0.00 0.00 64.34 63.41 1iwa n VAL 124 Cb 0.28 -1.65 0.55 0.00 -1.47 0.00 0.00 33.84 31.55 1iwa n VAL 124 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1iwa n PHE 125 N -3.65 0.00 0.23 6.34 3.01 -1.26 -2.75 117.46 119.38 1iwa n PHE 125 Ca 0.24 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.74 1iwa n PHE 125 Cb 0.99 -0.23 0.05 0.00 -0.01 0.00 0.00 39.48 40.28 1iwa n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iwa n GLY 126 N 0.47 0.22 3.72 1.37 0.00 0.11 -4.94 105.19 106.14 1iwa n GLY 126 Ca 0.11 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1iwa n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iwa s PHE 127 N -0.77 3.06 0.03 1.61 5.36 -1.11 -4.96 117.98 121.20 1iwa s PHE 127 Ca 0.12 0.65 -0.27 0.00 -0.96 0.00 0.00 56.93 56.46 1iwa s PHE 127 Cb 0.07 -3.91 -0.17 0.00 -0.34 0.00 0.00 43.02 38.68 1iwa s PHE 127 CO 0.11 -3.34 1.34 0.87 -1.46 0.00 0.00 175.22 172.74 1iwa h LYS 128 N 6.84 -0.56 -0.41 10.12 1.57 -1.95 -3.16 116.57 129.02 1iwa h LYS 128 Ca -0.43 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1iwa h LYS 128 Cb 1.20 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1iwa h LYS 128 CO 0.91 -0.27 0.85 0.00 -0.57 0.00 0.00 179.45 180.37 1iwa h ALA 129 N -0.37 2.21 -2.92 3.86 0.00 -1.99 -3.35 119.26 116.70 1iwa h ALA 129 Ca -0.06 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.17 1iwa h ALA 129 Cb 0.55 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.14 1iwa h ALA 129 CO 0.10 -1.06 -0.59 0.08 0.00 0.00 0.00 179.25 177.78 1iwa s VAL 130 N -4.27 4.40 0.31 0.00 1.01 -1.20 -0.72 120.40 119.93 1iwa s VAL 130 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1iwa s VAL 130 Cb 0.09 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.42 1iwa s VAL 130 CO 0.30 0.13 1.85 0.50 0.00 0.00 0.00 175.10 177.88 1iwa h LYS 131 N 8.30 0.70 -2.51 2.72 3.64 -0.44 -3.46 116.57 125.53 1iwa h LYS 131 Ca -0.33 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1iwa h LYS 131 Cb 1.15 -0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 32.69 1iwa h LYS 131 CO 0.60 0.66 0.08 0.00 -2.27 0.00 0.00 179.45 178.52 1iwa s ALA 132 N -5.13 -1.46 -0.08 5.00 0.00 -0.92 -5.01 121.76 114.15 1iwa s ALA 132 Ca -0.09 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 1iwa s ALA 132 Cb 0.16 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1iwa s ALA 132 CO 0.78 -0.44 0.26 -1.17 0.00 0.00 0.00 175.76 175.19 1iwa s LEU 133 N -1.64 1.03 -0.10 0.00 2.96 -1.23 -1.20 118.68 118.49 1iwa s LEU 133 Ca -0.08 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1iwa s LEU 133 Cb -0.01 0.92 0.05 0.00 0.50 0.00 0.00 46.19 47.65 1iwa s LEU 133 CO 0.03 -0.15 0.22 -0.60 -1.32 0.00 0.00 176.35 174.53 1iwa s ARG 134 N -0.12 0.12 -0.58 1.98 3.52 -0.47 -1.74 118.95 121.66 1iwa s ARG 134 Ca -0.02 0.60 -0.28 0.00 -0.13 0.00 0.00 55.73 55.90 1iwa s ARG 134 Cb -0.03 -0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.26 1iwa s ARG 134 CO 0.01 -0.25 1.17 -1.17 -0.81 0.00 0.00 175.30 174.25 1iwa s LEU 135 N 1.98 3.51 -0.05 -0.88 2.96 0.37 0.37 118.68 126.94 1iwa s LEU 135 Ca -0.02 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.76 1iwa s LEU 135 Cb -0.12 -3.15 -0.32 0.00 0.50 0.00 0.00 46.19 43.11 1iwa s LEU 135 CO -0.07 -1.46 0.88 -0.33 -1.32 0.00 0.00 176.35 174.05 1iwa h GLU 136 N 9.52 0.32 -2.89 1.98 4.39 -1.11 0.59 114.58 127.38 1iwa h GLU 136 Ca -0.25 -0.54 0.08 0.00 0.34 0.00 0.00 59.36 58.99 1iwa h GLU 136 Cb 1.06 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1iwa h GLU 136 CO 1.18 1.26 0.27 0.34 -1.16 0.00 0.00 179.01 180.90 1iwa s ASP 137 N -7.03 -0.29 0.04 1.42 2.15 -1.13 -4.57 116.67 107.26 1iwa s ASP 137 Ca -0.14 -0.49 -0.05 0.00 0.43 0.00 0.00 52.55 52.30 1iwa s ASP 137 Cb 0.01 0.67 -0.01 0.00 -0.30 0.00 0.00 42.92 43.29 1iwa s ASP 137 CO 0.84 -1.22 0.09 -0.04 -0.17 0.00 0.00 175.17 174.66 1iwa s MET 138 N -3.79 0.58 -0.30 4.34 -1.94 -1.26 -0.76 119.30 116.17 1iwa s MET 138 Ca 0.10 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1iwa s MET 138 Cb -0.05 0.23 0.09 0.00 2.01 0.00 0.00 34.83 37.11 1iwa s MET 138 CO 0.04 -0.14 0.01 0.50 -0.01 0.00 0.00 175.02 175.41 1iwa s ARG 139 N -2.63 1.52 -0.29 2.03 3.00 -0.43 -4.87 118.95 117.29 1iwa s ARG 139 Ca -0.05 -1.51 -0.20 0.00 -1.00 0.00 0.00 55.73 52.97 1iwa s ARG 139 Cb -0.01 -2.86 -0.01 0.00 0.00 0.00 0.00 34.95 32.06 1iwa s ARG 139 CO -0.05 -0.82 0.61 -0.51 0.00 0.00 0.00 175.30 174.53 1iwa s LEU 140 N 1.13 4.11 0.56 -0.88 1.43 -1.26 -1.47 118.68 122.30 1iwa s LEU 140 Ca 0.04 0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 1iwa s LEU 140 Cb -0.19 -2.80 -0.06 0.00 0.03 0.00 0.00 46.19 43.18 1iwa s LEU 140 CO -0.10 -0.42 1.06 -0.81 0.23 0.00 0.00 176.35 176.31 1iwa n PRO 141 N 5.78 1.14 -0.24 1.29 -0.04 -1.25 -4.77 135.00 136.92 1iwa n PRO 141 Ca -0.01 0.43 -0.01 0.00 -0.04 0.00 0.00 63.50 63.86 1iwa n PRO 141 Cb 0.49 -2.24 0.10 0.00 -0.04 0.00 0.00 33.50 31.82 1iwa n PRO 141 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1iwa h LEU 142 N 0.86 0.56 -0.15 1.53 5.85 -1.88 -0.01 115.31 122.06 1iwa h LEU 142 Ca -0.48 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1iwa h LEU 142 Cb 1.35 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1iwa h LEU 142 CO 0.53 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1iwa n ALA 143 N -2.36 1.52 -0.08 1.25 0.00 -1.26 -2.42 120.51 117.16 1iwa n ALA 143 Ca 0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1iwa n ALA 143 Cb 0.18 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 1iwa n ALA 143 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iwa n TYR 144 N -1.63 0.42 -0.02 0.00 9.36 -0.12 -4.34 117.16 120.83 1iwa n TYR 144 Ca 0.02 0.11 -0.03 0.00 3.32 0.00 0.00 57.90 61.32 1iwa n TYR 144 Cb 0.14 -1.06 0.21 0.00 -0.63 0.00 0.00 39.34 38.00 1iwa n TYR 144 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1iwa h LEU 145 N 0.02 0.56 -0.63 2.98 -0.00 -0.94 -2.16 115.31 115.14 1iwa h LEU 145 Ca -0.50 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 1iwa h LEU 145 Cb 2.03 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.54 1iwa h LEU 145 CO 0.00 0.72 0.00 0.29 -0.00 0.00 0.00 178.44 179.45 1iwa n LYS 146 N -4.18 0.07 0.00 1.13 4.76 -1.05 -0.21 118.16 118.67 1iwa n LYS 146 Ca 0.01 0.54 0.14 0.00 -2.87 0.00 0.00 58.31 56.12 1iwa n LYS 146 Cb 0.34 -1.71 0.48 0.00 -1.84 0.00 0.00 35.03 32.31 1iwa n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1iwa n THR 147 N -1.85 0.00 -4.14 -0.18 -2.24 -0.81 -4.88 114.28 100.17 1iwa n THR 147 Ca -0.00 -0.11 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 1iwa n THR 147 Cb 0.04 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1iwa n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1iwa s PHE 148 N -2.44 3.02 0.08 4.78 0.40 0.71 -3.35 117.98 121.17 1iwa s PHE 148 Ca 0.27 -0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.39 1iwa s PHE 148 Cb 0.20 -1.42 -0.23 0.00 0.51 0.00 0.00 43.02 42.07 1iwa s PHE 148 CO 0.48 0.53 1.18 0.37 0.70 0.00 0.00 175.22 178.49 1iwa h GLN 149 N 2.21 0.63 0.00 0.44 4.15 -1.84 -3.50 115.11 117.20 1iwa h GLN 149 Ca -0.47 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 58.22 1iwa h GLN 149 Cb 1.21 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.12 1iwa h GLN 149 CO 0.61 1.31 0.00 0.41 -1.93 0.00 0.00 178.83 179.23 1iwa n GLY 150 N 1.16 -1.64 3.50 2.39 0.00 -0.99 -4.77 105.19 104.84 1iwa n GLY 150 Ca -0.11 -1.54 -0.51 0.00 0.00 0.00 0.00 46.02 43.85 1iwa n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iwa n PRO 151 N -2.03 0.43 -0.13 1.61 -0.02 -1.21 -3.96 135.00 129.70 1iwa n PRO 151 Ca 0.00 0.15 -0.06 0.00 -2.02 0.00 0.00 63.50 61.57 1iwa n PRO 151 Cb 0.00 -1.48 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1iwa n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iwa h ALA 152 N 2.40 0.51 0.00 3.55 0.00 -0.65 -3.39 119.26 121.67 1iwa h ALA 152 Ca -0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iwa h ALA 152 Cb 1.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1iwa h ALA 152 CO 0.64 -0.15 -0.43 2.41 0.00 0.00 0.00 179.25 181.72 1iwa n THR 153 N -4.91 0.92 0.00 0.00 -1.04 -1.26 -4.62 114.28 103.36 1iwa n THR 153 Ca 0.02 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1iwa n THR 153 Cb 0.09 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1iwa n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iwa n GLY 154 N 2.16 0.62 0.28 3.41 0.00 -1.26 -4.24 105.19 106.16 1iwa n GLY 154 Ca -0.06 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.39 1iwa n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iwa h VAL 155 N 0.00 0.66 -0.18 1.61 2.07 -1.44 0.16 116.25 119.13 1iwa h VAL 155 Ca 0.00 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1iwa h VAL 155 Cb 0.00 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1iwa h VAL 155 CO 0.00 0.08 0.04 0.40 0.02 0.00 0.00 177.57 178.11 1iwa h ILE 156 N 0.46 1.21 -0.13 4.57 1.08 -1.86 -1.56 117.51 121.29 1iwa h ILE 156 Ca 0.42 -0.69 -0.17 0.00 -0.39 0.00 0.00 64.86 64.03 1iwa h ILE 156 Cb 0.64 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1iwa h ILE 156 CO -0.40 0.21 -0.63 0.25 -0.69 0.00 0.00 178.15 176.89 1iwa h LEU 157 N 0.09 0.56 -0.21 1.44 5.85 -1.68 -2.84 115.31 118.52 1iwa h LEU 157 Ca 0.06 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1iwa h LEU 157 Cb 0.29 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1iwa h LEU 157 CO 0.00 1.05 0.13 -0.08 -0.34 0.00 0.00 178.44 179.20 1iwa h GLU 158 N 0.36 0.29 -0.60 1.25 4.81 -0.90 -1.56 114.58 118.22 1iwa h GLU 158 Ca -0.01 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1iwa h GLU 158 Cb 1.19 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1iwa h GLU 158 CO 0.11 0.24 0.18 0.00 -0.73 0.00 0.00 179.01 178.82 1iwa h ARG 159 N 0.26 0.91 0.00 1.92 3.08 -1.27 -1.52 114.38 117.75 1iwa h ARG 159 Ca 0.08 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1iwa h ARG 159 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1iwa h ARG 159 CO -0.01 0.79 -0.34 0.93 -1.07 0.00 0.00 179.97 180.26 1iwa h GLU 160 N 0.89 0.00 0.00 0.04 5.08 -1.24 0.80 114.58 120.15 1iwa h GLU 160 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1iwa h GLU 160 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1iwa h GLU 160 CO -0.01 0.34 -0.43 0.00 -1.00 0.00 0.00 179.01 177.92 1iwa h ARG 161 N 0.00 0.00 0.00 2.33 3.08 -0.65 -3.19 114.38 115.95 1iwa h ARG 161 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iwa h ARG 161 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1iwa h ARG 161 CO 0.04 0.26 -1.39 1.28 -1.07 0.00 0.00 179.97 179.10 1iwa n LEU 162 N -3.11 0.47 -3.59 3.04 4.77 -0.63 -4.97 117.00 112.97 1iwa n LEU 162 Ca 0.02 -0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1iwa n LEU 162 Cb 0.65 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.78 1iwa n LEU 162 CO 0.38 0.02 0.23 -0.67 -1.33 0.00 0.00 177.39 176.03 1iwa n ASP 163 N -2.11 -5.91 -3.88 -1.43 4.64 0.28 -4.47 116.55 103.66 1iwa n ASP 163 Ca -0.00 -0.55 -0.27 0.00 -1.38 0.00 0.00 54.79 52.58 1iwa n ASP 163 Cb 0.49 -5.02 -0.17 0.00 -1.04 0.00 0.00 41.12 35.38 1iwa n ASP 163 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1iwa s LYS 164 N -6.23 1.38 0.19 -0.67 1.02 -0.94 -5.04 119.74 109.45 1iwa s LYS 164 Ca 0.53 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1iwa s LYS 164 Cb -0.23 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1iwa s LYS 164 CO 0.73 -0.37 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.70 1iwa s PHE 165 N 1.69 1.38 -0.44 3.18 0.40 -1.26 -4.75 117.98 118.19 1iwa s PHE 165 Ca 0.02 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 1iwa s PHE 165 Cb -0.14 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.61 1iwa s PHE 165 CO -0.08 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.20 1iwa n GLY 166 N -0.31 0.61 3.47 4.36 0.00 -1.26 -4.99 105.19 107.08 1iwa n GLY 166 Ca -0.07 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1iwa n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwa s ARG 167 N -1.74 1.05 0.67 1.61 1.70 -1.26 -5.05 118.95 115.93 1iwa s ARG 167 Ca 0.00 0.09 -0.17 0.00 -0.47 0.00 0.00 55.73 55.18 1iwa s ARG 167 Cb 0.00 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 1iwa s ARG 167 CO 0.00 -0.35 1.28 -2.14 -1.08 0.00 0.00 175.30 173.01 1iwa s PRO 168 N -1.63 2.42 0.38 3.89 0.02 -1.05 -4.84 135.00 134.19 1iwa s PRO 168 Ca -0.09 2.03 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 1iwa s PRO 168 Cb -0.01 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 1iwa s PRO 168 CO 0.06 -1.69 0.74 -0.51 -0.33 0.00 0.00 177.00 175.26 1iwa s LEU 169 N -4.55 3.90 -0.09 -5.54 1.43 -0.38 -4.91 118.68 108.53 1iwa s LEU 169 Ca 0.81 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1iwa s LEU 169 Cb -0.37 -3.97 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 1iwa s LEU 169 CO 0.41 -0.34 -0.10 -0.76 0.23 0.00 0.00 176.35 175.79 1iwa s LEU 170 N -3.65 2.94 0.26 1.79 1.43 -1.26 -0.77 118.68 119.41 1iwa s LEU 170 Ca 0.51 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1iwa s LEU 170 Cb -0.10 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1iwa s LEU 170 CO 0.29 0.28 0.21 -0.83 0.23 0.00 0.00 176.35 176.52 1iwa s GLY 171 N -0.30 1.76 -0.27 -3.19 0.00 -0.03 -0.34 107.32 104.96 1iwa s GLY 171 Ca 0.03 -1.82 -0.12 0.00 0.00 0.00 0.00 44.72 42.81 1iwa s GLY 171 CO 0.03 -1.39 0.63 0.00 0.00 0.00 0.00 173.10 172.37 1iwa s THR 173 N 2.17 4.94 0.44 0.00 2.01 -1.26 -1.50 115.64 122.45 1iwa s THR 173 Ca -0.08 1.62 -0.24 0.00 0.31 0.00 0.00 61.69 63.30 1iwa s THR 173 Cb -0.08 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 1iwa s THR 173 CO -0.18 0.13 1.05 0.41 -0.69 0.00 0.00 174.62 175.33 1iwa n THR 174 N 4.26 2.60 -4.06 -0.82 -1.04 -0.82 -4.59 114.28 109.82 1iwa n THR 174 Ca 0.02 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.40 1iwa n THR 174 Cb 0.50 -1.22 -0.13 0.00 -1.82 0.00 0.00 70.33 67.66 1iwa n THR 174 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1iwa s LYS 175 N -2.13 0.35 0.85 -2.82 -0.14 -1.26 -4.11 119.74 110.48 1iwa s LYS 175 Ca 0.64 -0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 54.80 1iwa s LYS 175 Cb -0.53 -0.24 0.10 0.00 -1.68 0.00 0.00 37.83 35.49 1iwa s LYS 175 CO 0.56 0.05 1.13 -1.25 -0.76 0.00 0.00 175.35 175.08 1iwa s PRO 176 N -0.64 1.58 0.17 -1.68 0.04 -1.26 -5.07 135.00 128.14 1iwa s PRO 176 Ca -0.04 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 1iwa s PRO 176 Cb -0.05 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.81 1iwa s PRO 176 CO -0.00 -2.19 1.67 0.87 0.04 0.00 0.00 177.00 177.38 1iwa h LYS 177 N -1.49 0.02 -5.39 4.56 1.57 -1.97 -3.44 116.57 110.42 1iwa h LYS 177 Ca -0.43 -0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.81 1iwa h LYS 177 Cb 1.25 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 1iwa h LYS 177 CO 0.46 0.01 -0.60 -0.51 -0.57 0.00 0.00 179.45 178.24 1iwa s LEU 178 N -10.63 2.45 0.00 2.94 1.43 -1.26 -4.68 118.68 108.93 1iwa s LEU 178 Ca -0.14 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 1iwa s LEU 178 Cb 0.15 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.78 1iwa s LEU 178 CO 0.71 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1iwa n GLY 179 N -0.81 3.07 3.77 -3.19 0.00 -1.26 -5.06 105.19 101.70 1iwa n GLY 179 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1iwa n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 180 N 0.00 4.38 0.86 0.99 1.43 -1.26 -4.97 118.68 120.10 1iwa s LEU 180 Ca 0.00 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 1iwa s LEU 180 Cb 0.00 -3.81 0.15 0.00 0.03 0.00 0.00 46.19 42.57 1iwa s LEU 180 CO 0.00 -0.42 1.19 -0.94 0.23 0.00 0.00 176.35 176.41 1iwa s SER 181 N -0.94 3.77 0.20 2.29 1.04 -1.26 -4.65 113.70 114.15 1iwa s SER 181 Ca 0.50 0.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 1iwa s SER 181 Cb -0.32 -0.44 0.14 0.00 0.10 0.00 0.00 66.02 65.50 1iwa s SER 181 CO 0.42 -2.30 1.56 1.23 0.98 0.00 0.00 173.24 175.13 1iwa h GLY 182 N -1.18 0.74 0.69 7.32 0.00 -1.91 -0.74 103.07 107.99 1iwa h GLY 182 Ca -0.43 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 1iwa h GLY 182 CO 0.44 0.67 -0.20 1.70 0.00 0.00 0.00 176.54 179.15 1iwa h LYS 183 N 0.56 -0.53 0.00 4.80 1.63 -1.94 -2.89 116.57 118.20 1iwa h LYS 183 Ca 0.05 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1iwa h LYS 183 Cb 0.92 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1iwa h LYS 183 CO 0.08 -0.22 -0.16 -0.91 -3.45 0.00 0.00 179.45 174.79 1iwa h ASN 184 N -0.87 0.00 0.08 4.20 2.35 -1.95 -2.69 115.58 116.70 1iwa h ASN 184 Ca -0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1iwa h ASN 184 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1iwa h ASN 184 CO 0.09 0.16 -0.04 0.22 -1.65 0.00 0.00 177.43 176.21 1iwa h TYR 185 N 0.00 -0.10 -0.55 1.19 3.20 -1.09 -2.76 116.97 116.86 1iwa h TYR 185 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iwa h TYR 185 Cb 0.31 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1iwa h TYR 185 CO 0.00 0.05 0.34 0.78 -1.64 0.00 0.00 178.16 177.70 1iwa h GLY 186 N -0.23 0.79 0.77 1.82 0.00 -1.27 -1.35 103.07 103.59 1iwa h GLY 186 Ca -0.01 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.06 1iwa h GLY 186 CO 0.02 0.30 0.42 -0.09 0.00 0.00 0.00 176.54 177.19 1iwa h ARG 187 N 0.76 0.77 -0.48 4.80 1.12 -1.32 0.49 114.38 120.51 1iwa h ARG 187 Ca 0.20 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.92 1iwa h ARG 187 Cb -0.05 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 29.72 1iwa h ARG 187 CO -0.04 0.51 -0.10 0.28 -3.11 0.00 0.00 179.97 177.50 1iwa h VAL 188 N 0.79 1.27 -0.47 0.20 2.07 -1.05 -2.55 116.25 116.50 1iwa h VAL 188 Ca 0.30 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1iwa h VAL 188 Cb 0.11 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1iwa h VAL 188 CO -0.15 0.43 0.24 0.58 0.02 0.00 0.00 177.57 178.69 1iwa h VAL 189 N 0.76 1.18 0.17 2.57 2.07 -0.48 -2.42 116.25 120.10 1iwa h VAL 189 Ca 0.12 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1iwa h VAL 189 Cb 0.65 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1iwa h VAL 189 CO 0.05 0.19 -0.08 0.22 0.02 0.00 0.00 177.57 177.97 1iwa h TYR 190 N 0.62 -0.21 -0.12 1.57 3.20 -0.84 -1.88 116.97 119.32 1iwa h TYR 190 Ca 0.16 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1iwa h TYR 190 Cb 0.09 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1iwa h TYR 190 CO -0.01 -0.08 -0.08 0.93 -1.64 0.00 0.00 178.16 177.28 1iwa h GLU 191 N -0.29 -0.08 -0.89 1.82 4.39 -1.43 -0.05 114.58 118.05 1iwa h GLU 191 Ca -0.02 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1iwa h GLU 191 Cb 0.22 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1iwa h GLU 191 CO 0.04 -0.05 0.47 0.00 -1.16 0.00 0.00 179.01 178.31 1iwa h ALA 192 N 1.01 1.15 0.09 3.43 0.00 -1.41 0.60 119.26 124.13 1iwa h ALA 192 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iwa h ALA 192 Cb 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1iwa h ALA 192 CO -0.17 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.64 1iwa h LEU 193 N 1.26 -0.11 -1.98 0.00 3.38 -1.12 -2.26 115.31 114.47 1iwa h LEU 193 Ca 0.31 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1iwa h LEU 193 Cb 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1iwa h LEU 193 CO -0.05 0.42 0.14 0.50 0.09 0.00 0.00 178.44 179.54 1iwa h LYS 194 N -0.67 0.02 -0.04 1.13 3.64 -0.95 -2.00 116.57 117.70 1iwa h LYS 194 Ca -0.01 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1iwa h LYS 194 Cb 0.53 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1iwa h LYS 194 CO 0.02 0.01 -0.37 0.78 -2.27 0.00 0.00 179.45 177.62 1iwa h GLY 195 N 0.02 0.08 0.00 5.01 0.00 -0.78 -3.46 103.07 103.94 1iwa h GLY 195 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1iwa h GLY 195 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1iwa n GLY 196 N -0.39 -0.62 3.79 4.60 0.00 -0.75 -2.33 105.19 109.49 1iwa n GLY 196 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1iwa n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 197 N 0.00 4.48 0.13 0.99 1.43 -0.87 -4.71 118.68 120.13 1iwa s LEU 197 Ca 0.00 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1iwa s LEU 197 Cb 0.00 -3.43 -0.14 0.00 0.03 0.00 0.00 46.19 42.65 1iwa s LEU 197 CO 0.00 0.13 1.28 0.44 0.23 0.00 0.00 176.35 178.43 1iwa h ASP 198 N 3.92 0.24 -5.13 2.29 3.32 -1.01 -3.41 116.42 116.64 1iwa h ASP 198 Ca -0.47 -0.23 -0.23 0.00 0.02 0.00 0.00 57.03 56.12 1iwa h ASP 198 Cb 1.20 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.53 1iwa h ASP 198 CO 0.65 1.11 -0.65 -0.36 -1.72 0.00 0.00 179.24 178.28 1iwa s PHE 199 N -2.91 1.01 0.03 4.55 0.08 0.18 -3.16 117.98 117.75 1iwa s PHE 199 Ca -0.02 -1.18 -0.08 0.00 0.12 0.00 0.00 56.93 55.77 1iwa s PHE 199 Cb 0.09 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.97 1iwa s PHE 199 CO 0.84 -0.43 0.15 0.08 -0.10 0.00 0.00 175.22 175.76 1iwa s VAL 200 N -3.93 0.11 0.09 -0.44 1.01 -1.10 -2.83 120.40 113.31 1iwa s VAL 200 Ca 0.26 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1iwa s VAL 200 Cb 0.07 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1iwa s VAL 200 CO 0.04 -0.50 0.29 -1.59 0.00 0.00 0.00 175.10 173.34 1iwa s LYS 201 N -2.23 0.92 0.63 2.72 -2.85 -0.56 -0.34 119.74 118.02 1iwa s LYS 201 Ca -0.08 -0.77 -0.13 0.00 -1.00 0.00 0.00 55.97 53.99 1iwa s LYS 201 Cb -0.03 0.39 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1iwa s LYS 201 CO -0.02 -0.32 1.04 -0.51 0.10 0.00 0.00 175.35 175.64 1iwa s ASP 202 N -2.68 5.80 0.56 0.03 1.01 -1.01 -1.95 116.67 118.43 1iwa s ASP 202 Ca 0.02 1.63 -0.09 0.00 0.71 0.00 0.00 52.55 54.83 1iwa s ASP 202 Cb 0.03 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1iwa s ASP 202 CO -0.10 -1.16 0.93 -0.62 0.21 0.00 0.00 175.17 174.43 1iwa s ASP 203 N -3.48 6.26 0.39 0.27 3.68 -1.26 -4.82 116.67 117.71 1iwa s ASP 203 Ca 0.59 1.23 0.15 0.00 2.13 0.00 0.00 52.55 56.65 1iwa s ASP 203 Cb -0.13 -2.38 1.02 0.00 -1.45 0.00 0.00 42.92 39.97 1iwa s ASP 203 CO 0.46 -0.74 1.81 1.05 0.13 0.00 0.00 175.17 177.88 1iwa h GLU 204 N -0.04 0.46 -0.30 4.34 9.09 -1.95 -0.09 114.58 126.10 1iwa h GLU 204 Ca -0.45 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1iwa h GLU 204 Cb 1.20 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1iwa h GLU 204 CO 0.62 0.31 0.00 0.27 0.05 0.00 0.00 179.01 180.26 1iwa n ASN 205 N -4.60 1.92 -4.44 3.06 6.94 -1.26 -4.74 115.26 112.14 1iwa n ASN 205 Ca 0.22 -1.89 -0.44 0.00 -0.02 0.00 0.00 54.58 52.45 1iwa n ASN 205 Cb 0.74 -0.20 -0.06 0.00 -2.36 0.00 0.00 39.78 37.90 1iwa n ASN 205 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1iwa s ILE 206 N -1.60 4.83 0.00 1.53 -1.09 -0.05 -4.86 121.20 119.96 1iwa s ILE 206 Ca 0.28 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1iwa s ILE 206 Cb 0.15 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1iwa s ILE 206 CO 0.21 -0.88 0.00 0.59 -1.23 0.00 0.00 174.94 173.63 1iwa n ASN 207 N 6.29 0.00 -3.47 3.58 5.03 -1.26 -4.70 115.26 120.72 1iwa n ASN 207 Ca -0.06 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.25 1iwa n ASN 207 Cb 0.45 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.10 1iwa n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iwa s SER 208 N 1.00 0.68 0.30 6.41 0.15 -1.26 -4.00 113.70 116.98 1iwa s SER 208 Ca 0.00 0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1iwa s SER 208 Cb 0.00 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1iwa s SER 208 CO 0.00 -0.30 0.16 -1.10 1.20 0.00 0.00 173.24 173.21 1iwa s GLN 209 N 2.44 1.59 0.45 5.44 1.11 0.00 -4.91 119.66 125.79 1iwa s GLN 209 Ca 0.08 -1.91 0.17 0.00 0.01 0.00 0.00 55.36 53.71 1iwa s GLN 209 Cb -0.15 -0.07 1.11 0.00 -1.01 0.00 0.00 33.01 32.89 1iwa s GLN 209 CO -0.13 -0.46 1.95 -1.35 0.01 0.00 0.00 175.29 175.31 1iwa h PRO 210 N 2.22 0.33 0.00 2.91 0.11 -2.01 -1.06 132.00 134.49 1iwa h PRO 210 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1iwa h PRO 210 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iwa h PRO 210 CO 0.51 0.22 -0.03 1.97 -0.21 0.00 0.00 178.00 180.46 1iwa n PHE 211 N -4.46 0.75 -3.27 0.65 1.16 -1.26 -4.78 117.46 106.25 1iwa n PHE 211 Ca 0.12 0.22 0.03 0.00 -1.87 0.00 0.00 57.45 55.95 1iwa n PHE 211 Cb 0.50 -0.85 -0.04 0.00 -1.61 0.00 0.00 39.48 37.48 1iwa n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1iwa s MET 212 N -3.08 0.15 0.53 3.97 0.00 -0.41 -4.52 119.30 115.93 1iwa s MET 212 Ca 0.11 0.37 -0.07 0.00 0.00 0.00 0.00 55.69 56.10 1iwa s MET 212 Cb 0.14 0.22 -0.04 0.00 0.00 0.00 0.00 34.83 35.15 1iwa s MET 212 CO 0.59 -0.06 0.86 1.03 0.00 0.00 0.00 175.02 177.44 1iwa s ARG 213 N 2.30 3.53 0.25 4.11 1.81 -1.18 -0.81 118.95 128.96 1iwa s ARG 213 Ca -0.01 0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 54.31 1iwa s ARG 213 Cb -0.04 -2.28 0.27 0.00 -0.45 0.00 0.00 34.95 32.45 1iwa s ARG 213 CO -0.16 -0.33 1.79 0.11 -0.68 0.00 0.00 175.30 176.03 1iwa h TRP 214 N 0.05 1.04 -0.81 -0.53 5.08 -1.90 -3.27 115.95 115.60 1iwa h TRP 214 Ca -0.46 -0.09 0.02 0.00 1.08 0.00 0.00 58.89 59.44 1iwa h TRP 214 Cb 1.20 -0.30 -0.04 0.00 -3.00 0.00 0.00 29.16 27.01 1iwa h TRP 214 CO 0.60 0.83 0.53 0.00 -1.28 0.00 0.00 178.44 179.12 1iwa h ARG 215 N 0.97 1.02 -0.25 0.12 3.08 -1.94 -1.53 114.38 115.85 1iwa h ARG 215 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1iwa h ARG 215 Cb 0.28 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1iwa h ARG 215 CO -0.01 0.67 0.15 0.93 -1.07 0.00 0.00 179.97 180.64 1iwa h GLU 216 N 1.05 0.34 -0.40 0.04 3.07 -1.98 -1.53 114.58 115.16 1iwa h GLU 216 Ca 0.31 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1iwa h GLU 216 Cb -0.05 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 27.73 1iwa h GLU 216 CO -0.09 0.27 0.05 -0.09 -1.40 0.00 0.00 179.01 177.75 1iwa h ARG 217 N 0.31 0.16 -0.04 2.33 2.43 -1.54 -0.45 114.38 117.58 1iwa h ARG 217 Ca 0.09 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1iwa h ARG 217 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1iwa h ARG 217 CO -0.02 0.10 -0.01 1.88 -1.51 0.00 0.00 179.97 180.41 1iwa h TYR 218 N 0.16 -0.03 0.25 2.20 -1.99 -1.00 0.37 116.97 116.93 1iwa h TYR 218 Ca 0.20 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 1iwa h TYR 218 Cb 0.26 0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1iwa h TYR 218 CO -0.23 -0.02 -0.21 -0.07 -0.00 0.00 0.00 178.16 177.63 1iwa h LEU 219 N -0.01 -0.55 -0.36 3.88 -0.00 -0.87 -1.83 115.31 115.57 1iwa h LEU 219 Ca 0.02 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.88 1iwa h LEU 219 Cb 0.04 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1iwa h LEU 219 CO -0.04 -0.32 -0.03 -0.26 -0.00 0.00 0.00 178.44 177.80 1iwa h PHE 220 N -0.47 0.72 -0.95 1.13 -1.00 -1.04 -2.97 116.94 112.37 1iwa h PHE 220 Ca -0.01 -0.14 0.05 0.00 2.81 0.00 0.00 57.97 60.69 1iwa h PHE 220 Cb 0.43 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.74 1iwa h PHE 220 CO -0.14 0.77 0.62 1.15 -1.61 0.00 0.00 178.31 179.10 1iwa h THR 221 N 0.46 1.11 -0.02 -1.55 2.02 -0.19 -2.14 112.91 112.60 1iwa h THR 221 Ca 0.10 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1iwa h THR 221 Cb 0.50 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1iwa h THR 221 CO 0.02 0.21 -0.45 0.24 0.37 0.00 0.00 175.52 175.91 1iwa h MET 222 N 1.13 0.04 -0.58 6.66 2.86 -1.23 -1.11 114.93 122.69 1iwa h MET 222 Ca 0.40 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.93 1iwa h MET 222 Cb 0.12 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1iwa h MET 222 CO -0.14 0.48 -0.00 1.49 1.06 0.00 0.00 176.91 179.80 1iwa h GLU 223 N 0.03 1.02 -0.33 1.72 4.57 -1.24 -1.91 114.58 118.44 1iwa h GLU 223 Ca -0.00 -0.31 -0.12 0.00 -1.18 0.00 0.00 59.36 57.74 1iwa h GLU 223 Cb 0.81 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1iwa h GLU 223 CO 0.06 1.00 -0.29 0.00 -1.18 0.00 0.00 179.01 178.60 1iwa h ALA 224 N 1.05 0.87 -0.35 2.92 0.00 -0.99 -1.38 119.26 121.38 1iwa h ALA 224 Ca 0.17 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1iwa h ALA 224 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1iwa h ALA 224 CO 0.03 0.63 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 1iwa h VAL 225 N 0.60 1.28 -0.04 0.00 2.07 -0.97 -0.97 116.25 118.22 1iwa h VAL 225 Ca 0.07 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.28 1iwa h VAL 225 Cb 0.80 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1iwa h VAL 225 CO 0.07 0.39 -0.52 0.78 0.02 0.00 0.00 177.57 178.31 1iwa h ASN 226 N 0.49 0.12 -0.25 0.57 2.35 -1.29 -1.53 115.58 116.03 1iwa h ASN 226 Ca 0.09 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1iwa h ASN 226 Cb 0.63 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1iwa h ASN 226 CO 0.04 0.62 -0.22 0.11 -1.65 0.00 0.00 177.43 176.33 1iwa h LYS 227 N 0.09 0.60 -0.95 0.81 1.57 -1.12 -1.69 116.57 115.88 1iwa h LYS 227 Ca -0.00 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1iwa h LYS 227 Cb 0.95 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 1iwa h LYS 227 CO 0.07 0.90 0.63 0.00 -0.57 0.00 0.00 179.45 180.48 1iwa h ALA 228 N 0.69 1.33 0.05 3.86 0.00 -0.98 0.25 119.26 124.46 1iwa h ALA 228 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 228 Cb 0.77 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iwa h ALA 228 CO 0.06 0.62 -0.02 1.03 0.00 0.00 0.00 179.25 180.93 1iwa h SER 229 N 1.28 -0.06 -0.06 0.00 0.87 -1.18 -2.39 113.55 112.01 1iwa h SER 229 Ca 0.35 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1iwa h SER 229 Cb -0.13 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1iwa h SER 229 CO -0.08 0.21 0.04 0.00 -0.53 0.00 0.00 176.83 176.47 1iwa h ALA 230 N 0.60 1.98 -0.29 6.23 0.00 -0.88 0.06 119.26 126.95 1iwa h ALA 230 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iwa h ALA 230 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iwa h ALA 230 CO 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1iwa n ALA 231 N -2.51 2.47 0.00 0.00 0.00 0.04 -4.46 120.51 116.04 1iwa n ALA 231 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1iwa n ALA 231 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1iwa n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iwa n THR 232 N 0.76 0.00 -0.80 0.00 -2.24 -0.76 -5.02 114.28 106.22 1iwa n THR 232 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1iwa n THR 232 Cb 0.42 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1iwa n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwa n GLY 233 N 0.45 0.59 3.61 3.38 0.00 -0.07 -5.04 105.19 108.11 1iwa n GLY 233 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1iwa n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iwa s GLU 234 N -0.35 2.22 -0.13 1.61 2.02 -1.25 -5.08 118.70 117.73 1iwa s GLU 234 Ca 0.00 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.45 1iwa s GLU 234 Cb 0.00 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1iwa s GLU 234 CO 0.00 0.43 1.00 0.08 0.02 0.00 0.00 175.26 176.79 1iwa s VAL 235 N -1.84 4.77 0.37 2.63 1.01 -1.26 -4.40 120.40 121.68 1iwa s VAL 235 Ca 0.27 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.35 1iwa s VAL 235 Cb -0.08 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1iwa s VAL 235 CO 0.17 -0.02 0.11 -0.54 0.00 0.00 0.00 175.10 174.81 1iwa s LYS 236 N 2.21 2.20 -0.07 2.72 -0.14 -1.26 -5.00 119.74 120.39 1iwa s LYS 236 Ca 0.47 -1.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.02 1iwa s LYS 236 Cb -0.18 -1.99 0.09 0.00 -1.68 0.00 0.00 37.83 34.07 1iwa s LYS 236 CO 0.16 0.02 0.78 0.20 -0.76 0.00 0.00 175.35 175.75 1iwa s GLY 237 N -3.82 -0.49 -0.07 -3.33 0.00 -1.19 -4.78 107.32 93.65 1iwa s GLY 237 Ca 0.38 1.50 0.02 0.00 0.00 0.00 0.00 44.72 46.62 1iwa s GLY 237 CO 0.21 0.94 -0.13 -1.58 0.00 0.00 0.00 173.10 172.54 1iwa s HIS 238 N -1.30 1.56 -0.76 1.90 2.46 -1.26 -2.72 115.29 115.18 1iwa s HIS 238 Ca -0.07 -0.59 -0.25 0.00 0.47 0.00 0.00 55.06 54.61 1iwa s HIS 238 Cb -0.00 -1.14 -0.05 0.00 -0.13 0.00 0.00 32.58 31.26 1iwa s HIS 238 CO 0.06 -0.30 2.01 0.71 -2.47 0.00 0.00 174.74 174.76 1iwa s TYR 239 N 0.66 1.62 -0.16 3.88 1.51 0.53 -4.63 117.35 120.76 1iwa s TYR 239 Ca -0.14 0.92 -0.29 0.00 -1.01 0.00 0.00 57.07 56.55 1iwa s TYR 239 Cb -0.16 -3.95 -0.01 0.00 -0.11 0.00 0.00 41.96 37.74 1iwa s TYR 239 CO 0.04 -1.97 1.11 -0.51 -1.11 0.00 0.00 175.55 173.10 1iwa s LEU 240 N 10.51 4.18 -0.35 -1.29 1.43 -1.25 -2.42 118.68 129.49 1iwa s LEU 240 Ca 0.74 1.55 -0.28 0.00 -1.03 0.00 0.00 54.13 55.12 1iwa s LEU 240 Cb -0.10 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.59 1iwa s LEU 240 CO 0.09 -0.63 1.01 0.21 0.23 0.00 0.00 176.35 177.26 1iwa s ASN 241 N 1.40 6.80 0.00 2.29 3.04 -1.26 -1.55 114.94 125.66 1iwa s ASN 241 Ca 0.49 0.81 0.21 0.00 0.04 0.00 0.00 52.86 54.41 1iwa s ASN 241 Cb -0.19 -2.51 0.51 0.00 -1.54 0.00 0.00 41.25 37.53 1iwa s ASN 241 CO 0.13 -0.89 1.44 1.33 -3.04 0.00 0.00 177.10 176.07 1iwa n VAL 242 N 5.98 0.77 -1.68 -5.21 0.24 -0.93 -4.85 118.33 112.66 1iwa n VAL 242 Ca 0.10 -0.89 -0.43 0.00 -2.04 0.00 0.00 64.34 61.08 1iwa n VAL 242 Cb 0.48 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.55 1iwa n VAL 242 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1iwa n THR 243 N 1.46 1.76 -3.83 3.34 -1.04 -1.26 -4.43 114.28 110.28 1iwa n THR 243 Ca 0.21 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.05 61.71 1iwa n THR 243 Cb 0.59 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1iwa n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa s ALA 244 N -0.85 -1.07 0.10 2.41 0.00 -1.26 -4.86 121.76 116.23 1iwa s ALA 244 Ca 0.59 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 1iwa s ALA 244 Cb -0.61 0.75 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1iwa s ALA 244 CO 0.59 -1.02 1.57 0.00 0.00 0.00 0.00 175.76 176.90 1iwa h ALA 245 N 2.00 0.40 -2.01 0.00 0.00 -1.96 -3.46 119.26 114.23 1iwa h ALA 245 Ca -0.26 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 53.85 1iwa h ALA 245 Cb 1.25 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1iwa h ALA 245 CO 0.32 0.09 -0.69 0.95 0.00 0.00 0.00 179.25 179.92 1iwa s THR 246 N -5.16 2.20 0.21 0.00 -4.23 -1.26 -5.05 115.64 102.35 1iwa s THR 246 Ca -0.13 -2.23 -0.08 0.00 -1.18 0.00 0.00 61.69 58.07 1iwa s THR 246 Cb 0.08 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.52 1iwa s THR 246 CO 0.75 -0.26 1.76 -0.03 -0.54 0.00 0.00 174.62 176.31 1iwa h MET 247 N 2.11 1.18 -1.00 3.99 4.05 -2.00 -1.90 114.93 121.35 1iwa h MET 247 Ca -0.41 -0.23 0.01 0.00 -0.28 0.00 0.00 59.70 58.78 1iwa h MET 247 Cb 1.25 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 1iwa h MET 247 CO 0.68 0.97 0.67 0.93 0.23 0.00 0.00 176.91 180.39 1iwa h GLU 248 N 1.14 1.32 -0.18 0.39 3.07 -1.99 -0.90 114.58 117.42 1iwa h GLU 248 Ca 0.25 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 58.88 1iwa h GLU 248 Cb 0.27 -0.30 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1iwa h GLU 248 CO -0.01 0.87 -0.54 1.49 -1.40 0.00 0.00 179.01 179.42 1iwa h GLU 249 N 1.36 0.54 -0.26 2.33 4.57 -1.90 -1.90 114.58 119.32 1iwa h GLU 249 Ca 0.37 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1iwa h GLU 249 Cb -0.16 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1iwa h GLU 249 CO -0.08 0.94 0.01 0.52 -1.18 0.00 0.00 179.01 179.23 1iwa h MET 250 N 0.42 0.45 -0.36 1.92 2.86 -0.87 -2.50 114.93 116.85 1iwa h MET 250 Ca 0.01 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1iwa h MET 250 Cb 1.08 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 1iwa h MET 250 CO 0.10 0.61 0.15 1.88 1.06 0.00 0.00 176.91 180.71 1iwa h TYR 251 N 0.24 0.28 -0.95 -0.22 0.05 -1.14 0.96 116.97 116.20 1iwa h TYR 251 Ca 0.08 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.99 1iwa h TYR 251 Cb 0.39 -0.07 -0.08 0.00 1.01 0.00 0.00 36.73 37.98 1iwa h TYR 251 CO 0.03 0.14 0.58 0.00 -1.05 0.00 0.00 178.16 177.85 1iwa h ALA 252 N 1.21 1.41 -0.05 3.88 0.00 -1.23 0.17 119.26 124.64 1iwa h ALA 252 Ca 0.16 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1iwa h ALA 252 Cb 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1iwa h ALA 252 CO -0.14 0.17 -0.51 0.00 0.00 0.00 0.00 179.25 178.78 1iwa h ARG 253 N 0.91 0.44 -0.46 0.00 3.08 -0.93 -2.23 114.38 115.20 1iwa h ARG 253 Ca 0.47 -0.40 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1iwa h ARG 253 Cb 0.47 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1iwa h ARG 253 CO -0.27 1.05 0.23 0.00 -1.07 0.00 0.00 179.97 179.91 1iwa h ALA 254 N 0.40 0.57 -0.49 0.04 0.00 -0.36 -2.00 119.26 117.43 1iwa h ALA 254 Ca -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1iwa h ALA 254 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1iwa h ALA 254 CO 0.10 -0.11 0.10 -0.91 0.00 0.00 0.00 179.25 178.43 1iwa h ASN 255 N 0.47 0.69 -0.40 0.00 -0.26 -0.71 0.11 115.58 115.49 1iwa h ASN 255 Ca 0.20 -0.12 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1iwa h ASN 255 Cb 0.09 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1iwa h ASN 255 CO -0.13 0.70 0.03 0.15 -1.06 0.00 0.00 177.43 177.12 1iwa h PHE 256 N 0.72 0.74 -0.63 1.19 3.57 -1.00 0.57 116.94 122.10 1iwa h PHE 256 Ca 0.16 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1iwa h PHE 256 Cb 0.29 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1iwa h PHE 256 CO 0.02 0.75 0.40 0.00 -2.23 0.00 0.00 178.31 177.24 1iwa h ALA 257 N 0.90 0.81 0.03 2.41 0.00 -0.94 0.17 119.26 122.65 1iwa h ALA 257 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1iwa h ALA 257 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iwa h ALA 257 CO 0.01 0.17 -0.01 -0.22 0.00 0.00 0.00 179.25 179.20 1iwa h LYS 258 N 0.80 -0.04 -0.97 0.00 3.64 -0.26 -2.44 116.57 117.29 1iwa h LYS 258 Ca 0.25 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.76 1iwa h LYS 258 Cb -0.02 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.72 1iwa h LYS 258 CO -0.08 -0.01 0.62 1.49 -2.27 0.00 0.00 179.45 179.19 1iwa h GLU 259 N -0.05 0.86 -0.00 1.90 4.81 0.10 -1.84 114.58 120.36 1iwa h GLU 259 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1iwa h GLU 259 Cb 0.04 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1iwa h GLU 259 CO 0.01 0.57 -0.09 1.28 -0.73 0.00 0.00 179.01 180.04 1iwa n LEU 260 N -4.62 0.23 0.00 1.64 4.77 0.53 -4.94 117.00 114.61 1iwa n LEU 260 Ca 0.19 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1iwa n LEU 260 Cb 0.41 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1iwa n LEU 260 CO 0.27 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1iwa n GLY 261 N 1.35 0.61 3.66 -0.72 0.00 -0.69 -5.06 105.19 104.34 1iwa n GLY 261 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1iwa n GLY 261 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iwa n SER 262 N 0.00 2.00 0.06 1.61 2.88 -0.95 -4.89 113.62 114.34 1iwa n SER 262 Ca 0.00 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1iwa n SER 262 Cb 0.00 -1.42 0.15 0.00 -0.75 0.00 0.00 64.21 62.18 1iwa n SER 262 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1iwa h VAL 263 N 1.96 0.00 -3.36 2.46 3.04 -1.90 -3.45 116.25 115.00 1iwa h VAL 263 Ca -0.45 -0.53 -0.05 0.00 -1.01 0.00 0.00 66.70 64.65 1iwa h VAL 263 Cb 1.31 1.09 -0.13 0.00 -2.01 0.00 0.00 31.29 31.55 1iwa h VAL 263 CO 0.59 0.00 -0.08 -0.51 -1.01 0.00 0.00 177.57 176.57 1iwa s ILE 264 N -3.19 0.07 0.17 3.17 2.07 -1.26 -2.20 121.20 120.03 1iwa s ILE 264 Ca 0.05 -0.57 -0.08 0.00 -1.41 0.00 0.00 60.65 58.64 1iwa s ILE 264 Cb 0.13 -1.15 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 1iwa s ILE 264 CO 0.73 -0.31 0.28 0.27 -1.91 0.00 0.00 174.94 174.00 1iwa s ILE 265 N -3.68 0.06 0.13 2.00 -4.36 -0.19 -3.83 121.20 111.33 1iwa s ILE 265 Ca 0.02 -1.45 0.04 0.00 -0.26 0.00 0.00 60.65 59.00 1iwa s ILE 265 Cb 0.02 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 1iwa s ILE 265 CO -0.11 -0.27 -0.10 0.00 0.24 0.00 0.00 174.94 174.70 1iwa s MET 266 N -3.99 0.97 -0.00 0.37 0.23 -0.60 -0.25 119.30 116.04 1iwa s MET 266 Ca 0.19 -1.35 -0.05 0.00 -1.03 0.00 0.00 55.69 53.45 1iwa s MET 266 Cb 0.03 -0.56 -0.00 0.00 -1.53 0.00 0.00 34.83 32.77 1iwa s MET 266 CO 0.01 0.07 0.09 0.96 -2.03 0.00 0.00 175.02 174.12 1iwa s ILE 267 N -3.09 0.07 0.15 3.16 -4.36 -0.06 -2.19 121.20 114.88 1iwa s ILE 267 Ca 0.13 -0.58 -0.16 0.00 -0.26 0.00 0.00 60.65 59.78 1iwa s ILE 267 Cb 0.01 -0.32 -0.07 0.00 1.25 0.00 0.00 42.46 43.33 1iwa s ILE 267 CO -0.00 -0.32 0.59 -1.81 0.24 0.00 0.00 174.94 173.64 1iwa s ASP 268 N -1.05 6.93 0.58 4.36 1.01 -1.26 -1.13 116.67 126.11 1iwa s ASP 268 Ca -0.11 1.19 0.30 0.00 0.71 0.00 0.00 52.55 54.64 1iwa s ASP 268 Cb -0.07 -2.33 1.80 0.00 1.01 0.00 0.00 42.92 43.34 1iwa s ASP 268 CO 0.01 0.12 2.24 0.25 0.21 0.00 0.00 175.17 177.99 1iwa h LEU 270 N 3.72 0.00 0.00 1.23 5.85 -0.01 -2.28 115.31 123.83 1iwa h LEU 270 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1iwa h LEU 270 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iwa h LEU 270 CO 0.65 0.02 0.00 0.55 -0.34 0.00 0.00 178.44 179.32 1iwa n VAL 271 N -3.78 0.31 0.20 1.05 3.14 -1.25 -1.87 118.33 116.12 1iwa n VAL 271 Ca -0.03 0.08 0.12 0.00 -2.96 0.00 0.00 64.34 61.55 1iwa n VAL 271 Cb 0.10 -0.98 0.14 0.00 -1.06 0.00 0.00 33.84 32.04 1iwa n VAL 271 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 1iwa h ILE 272 N 0.00 0.00 0.00 1.55 3.07 -1.79 -3.50 117.51 116.85 1iwa h ILE 272 Ca 0.00 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.40 1iwa h ILE 272 Cb 0.02 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 1iwa h ILE 272 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 1iwa n GLY 273 N 1.11 2.32 0.27 0.16 0.00 -0.78 -4.53 105.19 103.74 1iwa n GLY 273 Ca 0.03 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.26 1iwa n GLY 273 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1iwa h TYR 274 N 0.00 0.64 -0.12 1.61 0.05 -1.97 -0.98 116.97 116.20 1iwa h TYR 274 Ca 0.00 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1iwa h TYR 274 Cb 0.00 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 1iwa h TYR 274 CO 0.00 0.24 0.02 1.15 -1.05 0.00 0.00 178.16 178.52 1iwa h THR 275 N 0.62 1.22 -0.74 -2.88 2.02 -1.98 -0.19 112.91 110.98 1iwa h THR 275 Ca 0.35 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.89 1iwa h THR 275 Cb 0.35 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1iwa h THR 275 CO -0.26 0.21 0.41 0.00 0.37 0.00 0.00 175.52 176.25 1iwa h ALA 276 N 0.79 1.01 0.05 6.16 0.00 -1.73 -0.65 119.26 124.89 1iwa h ALA 276 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iwa h ALA 276 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1iwa h ALA 276 CO 0.00 0.08 -0.02 0.82 0.00 0.00 0.00 179.25 180.13 1iwa h ILE 277 N 0.74 1.04 -0.80 0.00 2.04 -0.94 -1.42 117.51 118.17 1iwa h ILE 277 Ca 0.34 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1iwa h ILE 277 Cb 0.25 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1iwa h ILE 277 CO -0.21 0.08 0.53 1.56 0.00 0.00 0.00 178.15 180.11 1iwa h GLN 278 N -0.20 1.01 -0.77 2.37 4.20 -0.70 0.88 115.11 121.90 1iwa h GLN 278 Ca -0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1iwa h GLN 278 Cb 0.18 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1iwa h GLN 278 CO 0.01 0.67 0.29 1.15 -0.67 0.00 0.00 178.83 180.28 1iwa h THR 279 N 1.04 1.26 -0.15 -0.54 2.02 -0.88 -2.10 112.91 113.56 1iwa h THR 279 Ca 0.31 -0.85 -0.17 0.00 0.77 0.00 0.00 66.41 66.47 1iwa h THR 279 Cb -0.04 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1iwa h THR 279 CO -0.08 0.34 -0.61 0.24 0.37 0.00 0.00 175.52 175.79 1iwa h MET 280 N 1.13 0.52 -0.26 6.66 2.86 -0.36 -2.58 114.93 122.90 1iwa h MET 280 Ca 0.26 -0.35 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1iwa h MET 280 Cb 0.24 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1iwa h MET 280 CO -0.02 0.97 0.10 0.00 1.06 0.00 0.00 176.91 179.02 1iwa h ALA 281 N 0.95 0.30 -0.25 6.32 0.00 -0.45 0.60 119.26 126.72 1iwa h ALA 281 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1iwa h ALA 281 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1iwa h ALA 281 CO 0.11 -0.31 0.09 -0.22 0.00 0.00 0.00 179.25 178.92 1iwa h LYS 282 N 0.22 0.39 -0.93 0.00 3.64 -1.37 -0.54 116.57 117.97 1iwa h LYS 282 Ca 0.11 -0.08 0.15 0.00 -1.27 0.00 0.00 60.65 59.56 1iwa h LYS 282 Cb 0.07 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1iwa h LYS 282 CO -0.11 0.44 0.60 2.35 -2.27 0.00 0.00 179.45 180.45 1iwa h TRP 283 N 0.25 0.92 -0.12 1.91 7.01 -1.14 0.15 115.95 124.94 1iwa h TRP 283 Ca 0.08 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.05 1iwa h TRP 283 Cb 0.20 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1iwa h TRP 283 CO -0.00 0.33 -0.16 0.00 -2.79 0.00 0.00 178.44 175.81 1iwa h ALA 284 N 1.59 0.18 -0.69 2.65 0.00 -0.36 -0.66 119.26 121.95 1iwa h ALA 284 Ca 0.48 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1iwa h ALA 284 Cb 0.70 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1iwa h ALA 284 CO -0.24 0.08 0.46 -0.09 0.00 0.00 0.00 179.25 179.46 1iwa h ARG 285 N -0.10 0.75 0.00 0.00 9.65 -0.17 -1.59 114.38 122.92 1iwa h ARG 285 Ca 0.01 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1iwa h ARG 285 Cb 0.72 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1iwa h ARG 285 CO 0.04 0.50 -0.05 -0.44 2.80 0.00 0.00 179.97 182.82 1iwa h ASP 286 N 0.77 0.00 0.00 -3.80 3.45 -0.57 -3.34 116.42 112.93 1iwa h ASP 286 Ca 0.29 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.74 1iwa h ASP 286 Cb 0.17 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 1iwa h ASP 286 CO -0.09 0.05 -0.29 0.59 -1.57 0.00 0.00 179.24 177.93 1iwa n ASN 287 N -3.12 1.91 -4.02 6.45 3.02 -0.27 -5.01 115.26 114.22 1iwa n ASN 287 Ca 0.03 -3.37 -0.29 0.00 -0.03 0.00 0.00 54.58 50.92 1iwa n ASN 287 Cb 0.49 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1iwa n ASN 287 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iwa n ASP 288 N -1.16 -0.81 -4.25 6.41 9.92 -0.81 -4.97 116.55 120.88 1iwa n ASP 288 Ca 0.16 -1.10 -0.28 0.00 -0.53 0.00 0.00 54.79 53.04 1iwa n ASP 288 Cb 0.69 -2.63 -0.16 0.00 -0.64 0.00 0.00 41.12 38.38 1iwa n ASP 288 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1iwa s MET 289 N -6.76 1.79 -0.01 -1.24 1.75 -1.13 -4.96 119.30 108.74 1iwa s MET 289 Ca 0.09 -0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 53.42 1iwa s MET 289 Cb -0.04 -1.74 -0.03 0.00 2.84 0.00 0.00 34.83 35.86 1iwa s MET 289 CO 0.92 0.48 0.99 0.42 -0.65 0.00 0.00 175.02 177.17 1iwa s ILE 290 N -0.54 4.84 -0.35 10.11 1.01 -0.93 -4.65 121.20 130.68 1iwa s ILE 290 Ca 0.09 2.04 -0.07 0.00 0.00 0.00 0.00 60.65 62.71 1iwa s ILE 290 Cb -0.09 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.12 1iwa s ILE 290 CO -0.01 0.14 0.14 -0.22 0.00 0.00 0.00 174.94 174.99 1iwa s LEU 291 N 1.12 4.50 -0.20 2.97 2.96 -1.26 -1.02 118.68 127.75 1iwa s LEU 291 Ca 0.52 -1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.06 1iwa s LEU 291 Cb -0.21 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1iwa s LEU 291 CO 0.27 -0.37 0.38 -2.28 -1.32 0.00 0.00 176.35 173.04 1iwa s HIS 292 N 1.41 3.37 -0.25 5.38 5.65 0.66 -0.35 115.29 131.15 1iwa s HIS 292 Ca -0.00 0.59 -0.07 0.00 0.25 0.00 0.00 55.06 55.83 1iwa s HIS 292 Cb -0.20 -2.51 -0.02 0.00 -1.18 0.00 0.00 32.58 28.67 1iwa s HIS 292 CO 0.03 -0.00 0.07 -1.17 -0.65 0.00 0.00 174.74 173.01 1iwa s LEU 293 N 1.29 3.45 -0.24 8.88 2.96 -0.46 -0.88 118.68 133.67 1iwa s LEU 293 Ca 0.18 -0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 1iwa s LEU 293 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1iwa s LEU 293 CO 0.08 -0.05 0.50 -2.28 -1.32 0.00 0.00 176.35 173.28 1iwa s HIS 294 N 1.60 3.30 0.00 5.38 5.65 -0.28 -3.36 115.29 127.57 1iwa s HIS 294 Ca 0.06 0.66 0.00 0.00 0.25 0.00 0.00 55.06 56.03 1iwa s HIS 294 Cb -0.15 -2.69 0.00 0.00 -1.18 0.00 0.00 32.58 28.56 1iwa s HIS 294 CO 0.03 -0.22 0.93 2.89 -0.65 0.00 0.00 174.74 177.72 1iwa n ARG 295 N 5.27 0.63 -1.56 2.88 1.85 -1.26 0.64 116.66 125.11 1iwa n ARG 295 Ca -0.05 0.00 -0.50 0.00 -1.00 0.00 0.00 57.85 56.30 1iwa n ARG 295 Cb 0.50 -1.18 -0.05 0.00 -1.05 0.00 0.00 32.46 30.68 1iwa n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iwa n ALA 296 N 1.15 -1.22 -0.90 2.89 0.00 -1.26 -1.28 120.51 119.89 1iwa n ALA 296 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1iwa n ALA 296 Cb 0.32 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1iwa n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 297 N 2.03 0.46 0.31 0.00 0.00 -1.26 -3.77 105.19 102.96 1iwa n GLY 297 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1iwa n GLY 297 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1iwa h ASN 298 N 0.00 0.99 0.00 1.61 -1.24 -1.59 -2.95 115.58 112.40 1iwa h ASN 298 Ca 0.00 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.76 1iwa h ASN 298 Cb 0.19 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1iwa h ASN 298 CO 0.00 1.02 0.00 -1.20 -1.29 0.00 0.00 177.43 175.96 1iwa n SER 299 N -4.20 0.00 0.11 1.15 7.64 -1.26 -2.74 113.62 114.32 1iwa n SER 299 Ca 0.04 -0.65 -0.02 0.00 1.01 0.00 0.00 58.87 59.24 1iwa n SER 299 Cb 0.31 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.56 1iwa n SER 299 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1iwa h THR 300 N 0.00 1.43 0.00 0.44 2.02 -1.93 -3.30 112.91 111.56 1iwa h THR 300 Ca 0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1iwa h THR 300 Cb 0.00 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1iwa h THR 300 CO 0.00 0.72 0.00 0.00 0.37 0.00 0.00 175.52 176.61 1iwa n TYR 301 N -3.51 0.00 0.66 3.16 0.18 -1.11 -4.78 117.16 111.75 1iwa n TYR 301 Ca -0.00 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.85 1iwa n TYR 301 Cb 0.75 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.73 1iwa n TYR 301 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1iwa n SER 302 N -0.29 1.72 0.02 9.48 3.41 -1.13 -1.16 113.62 125.67 1iwa n SER 302 Ca 0.00 -1.36 -0.03 0.00 -0.26 0.00 0.00 58.87 57.22 1iwa n SER 302 Cb 0.04 0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1iwa n SER 302 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 303 N 1.99 -0.16 -6.55 4.33 9.65 -1.84 -3.44 114.38 118.36 1iwa h ARG 303 Ca 0.00 0.01 -0.53 0.00 -1.10 0.00 0.00 59.98 58.36 1iwa h ARG 303 Cb 0.54 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1iwa h ARG 303 CO 0.00 -0.11 0.60 -0.65 2.80 0.00 0.00 179.97 182.62 1iwa s GLN 304 N -2.06 4.42 0.26 0.20 -1.52 -1.26 -3.91 119.66 115.78 1iwa s GLN 304 Ca -0.02 1.88 0.24 0.00 -1.95 0.00 0.00 55.36 55.51 1iwa s GLN 304 Cb 0.00 -3.29 0.97 0.00 -0.22 0.00 0.00 33.01 30.47 1iwa s GLN 304 CO 0.07 -0.26 1.72 1.17 -0.25 0.00 0.00 175.29 177.75 1iwa n LYS 305 N 3.53 0.21 0.01 2.91 4.81 -1.26 -3.44 118.16 124.93 1iwa n LYS 305 Ca 0.08 0.40 0.03 0.00 -0.87 0.00 0.00 58.31 57.95 1iwa n LYS 305 Cb 0.45 -1.87 -0.10 0.00 0.02 0.00 0.00 35.03 33.52 1iwa n LYS 305 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1iwa n ASN 306 N -2.25 0.52 -3.87 3.14 6.94 -1.26 -4.95 115.26 113.53 1iwa n ASN 306 Ca 0.02 0.22 -0.11 0.00 -0.02 0.00 0.00 54.58 54.69 1iwa n ASN 306 Cb 0.25 0.77 -0.10 0.00 -2.36 0.00 0.00 39.78 38.34 1iwa n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1iwa s HIS 307 N -3.06 0.02 0.00 -2.53 5.04 -1.22 -3.55 115.29 109.98 1iwa s HIS 307 Ca -0.05 -0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.39 1iwa s HIS 307 Cb 0.10 -0.04 0.00 0.00 0.04 0.00 0.00 32.58 32.68 1iwa s HIS 307 CO 0.83 -0.27 0.00 0.41 -2.34 0.00 0.00 174.74 173.37 1iwa n GLY 308 N 1.58 0.23 3.04 1.59 0.00 -0.71 -4.57 105.19 106.34 1iwa n GLY 308 Ca -0.22 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 1iwa n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iwa s MET 309 N 0.00 1.14 0.26 1.61 -1.94 -0.31 -0.48 119.30 119.58 1iwa s MET 309 Ca 0.00 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.30 1iwa s MET 309 Cb 0.00 -1.05 -0.09 0.00 2.01 0.00 0.00 34.83 35.70 1iwa s MET 309 CO 0.00 0.16 1.09 1.21 -0.01 0.00 0.00 175.02 177.48 1iwa s ASN 310 N 0.09 7.28 0.54 3.03 3.84 0.20 -3.76 114.94 126.16 1iwa s ASN 310 Ca -0.02 2.23 0.27 0.00 0.21 0.00 0.00 52.86 55.54 1iwa s ASN 310 Cb -0.09 -2.62 1.43 0.00 -0.55 0.00 0.00 41.25 39.42 1iwa s ASN 310 CO 0.01 -0.15 1.97 0.15 -2.79 0.00 0.00 177.10 176.30 1iwa h PHE 311 N 4.09 0.00 -0.39 0.43 3.57 -1.90 -0.37 116.94 122.36 1iwa h PHE 311 Ca -0.46 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.11 1iwa h PHE 311 Cb 1.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1iwa h PHE 311 CO 0.60 0.00 0.27 0.07 -2.23 0.00 0.00 178.31 177.02 1iwa h ARG 312 N 0.00 0.21 -0.09 1.11 0.11 -1.91 0.38 114.38 114.20 1iwa h ARG 312 Ca 0.27 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.30 1iwa h ARG 312 Cb 1.12 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 1iwa h ARG 312 CO -0.00 0.14 -0.08 0.28 0.10 0.00 0.00 179.97 180.40 1iwa h VAL 313 N 0.22 1.36 -0.54 0.08 2.07 -1.30 -2.53 116.25 115.61 1iwa h VAL 313 Ca 0.18 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.54 1iwa h VAL 313 Cb 0.43 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1iwa h VAL 313 CO -0.03 0.34 0.36 0.40 0.02 0.00 0.00 177.57 178.67 1iwa h ILE 314 N -0.20 0.97 -0.83 4.57 5.03 -1.24 0.23 117.51 126.04 1iwa h ILE 314 Ca 0.01 -0.16 -0.03 0.00 -0.12 0.00 0.00 64.86 64.56 1iwa h ILE 314 Cb 0.59 0.46 -0.04 0.00 -3.03 0.00 0.00 36.82 34.80 1iwa h ILE 314 CO 0.02 0.09 0.39 0.00 -0.68 0.00 0.00 178.15 177.97 1iwa h LYS 316 N 1.18 0.75 -0.42 0.00 1.57 -0.58 -1.69 116.57 117.38 1iwa h LYS 316 Ca 0.28 -0.42 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1iwa h LYS 316 Cb 0.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1iwa h LYS 316 CO -0.04 1.05 -0.04 -1.49 -0.57 0.00 0.00 179.45 178.36 1iwa h TRP 317 N 0.51 0.85 0.00 -1.35 6.55 -0.97 -1.80 115.95 119.74 1iwa h TRP 317 Ca 0.04 -0.16 -0.06 0.00 0.95 0.00 0.00 58.89 59.66 1iwa h TRP 317 Cb 0.94 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 29.02 1iwa h TRP 317 CO 0.07 0.86 -0.27 0.52 -1.05 0.00 0.00 178.44 178.58 1iwa h MET 318 N 0.60 0.00 0.03 0.49 2.86 -0.79 0.27 114.93 118.40 1iwa h MET 318 Ca 0.11 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.53 1iwa h MET 318 Cb 0.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1iwa h MET 318 CO 0.03 0.27 -0.99 -0.09 1.06 0.00 0.00 176.91 177.19 1iwa h ARG 319 N 0.00 0.27 -0.17 1.72 2.43 -1.11 -2.73 114.38 114.78 1iwa h ARG 319 Ca -0.00 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1iwa h ARG 319 Cb 0.71 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1iwa h ARG 319 CO 0.03 1.07 -0.01 0.52 -1.51 0.00 0.00 179.97 180.07 1iwa h MET 320 N 0.13 0.32 -0.74 0.20 2.86 -0.89 -3.07 114.93 113.75 1iwa h MET 320 Ca -0.07 -0.11 0.17 0.00 -2.06 0.00 0.00 59.70 57.62 1iwa h MET 320 Cb 1.65 -0.03 -0.12 0.00 0.06 0.00 0.00 31.60 33.17 1iwa h MET 320 CO 0.16 0.55 0.12 0.00 1.06 0.00 0.00 176.91 178.80 1iwa h ALA 321 N 0.76 0.90 0.00 6.32 0.00 -0.43 -2.63 119.26 124.17 1iwa h ALA 321 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iwa h ALA 321 Cb 0.41 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1iwa h ALA 321 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.29 1iwa n GLY 322 N -1.37 1.29 3.77 0.00 0.00 -1.05 -4.55 105.19 103.28 1iwa n GLY 322 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1iwa n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwa s VAL 323 N -1.81 2.98 -0.13 1.61 1.01 -1.12 0.02 120.40 122.96 1iwa s VAL 323 Ca 0.00 0.69 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1iwa s VAL 323 Cb 0.00 -3.33 -0.24 0.00 0.00 0.00 0.00 36.38 32.82 1iwa s VAL 323 CO 0.00 -0.05 0.35 0.47 0.00 0.00 0.00 175.10 175.86 1iwa n ASP 324 N -0.84 0.83 -4.26 3.32 8.00 0.53 -4.38 116.55 119.75 1iwa n ASP 324 Ca 0.09 0.20 -0.17 0.00 0.71 0.00 0.00 54.79 55.63 1iwa n ASP 324 Cb 0.49 0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.65 1iwa n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1iwa s HIS 325 N -2.55 1.39 -0.28 1.24 3.76 -0.78 -0.03 115.29 118.04 1iwa s HIS 325 Ca -0.11 -0.62 -0.21 0.00 -0.15 0.00 0.00 55.06 53.96 1iwa s HIS 325 Cb 0.07 -0.71 0.10 0.00 1.11 0.00 0.00 32.58 33.15 1iwa s HIS 325 CO 0.80 0.15 0.83 -1.50 -0.85 0.00 0.00 174.74 174.17 1iwa s ILE 326 N -2.65 0.00 0.05 0.60 2.07 -1.03 -1.36 121.20 118.88 1iwa s ILE 326 Ca 0.13 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.07 1iwa s ILE 326 Cb -0.02 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.49 1iwa s ILE 326 CO 0.03 0.00 1.67 -1.00 -1.91 0.00 0.00 174.94 173.73 1iwa s HIS 327 N 0.86 2.30 -0.14 3.50 3.76 -1.21 -0.26 115.29 124.09 1iwa s HIS 327 Ca -0.04 0.25 0.17 0.00 -0.15 0.00 0.00 55.06 55.30 1iwa s HIS 327 Cb -0.05 -3.98 0.31 0.00 1.11 0.00 0.00 32.58 29.98 1iwa s HIS 327 CO -0.09 -3.98 1.16 0.00 -0.85 0.00 0.00 174.74 170.98 1iwa n ALA 328 N 5.89 2.53 -1.06 -1.40 0.00 -0.14 -4.80 120.51 121.53 1iwa n ALA 328 Ca 0.16 -2.76 0.13 0.00 0.00 0.00 0.00 53.44 50.98 1iwa n ALA 328 Cb 0.41 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 1iwa n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 329 N -1.37 -3.10 3.44 0.00 0.00 -1.23 -4.91 105.19 98.02 1iwa n GLY 329 Ca 0.17 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1iwa n GLY 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwa s THR 330 N -3.83 2.71 0.05 2.61 -4.23 -1.26 -4.62 115.64 107.06 1iwa s THR 330 Ca 0.00 -1.20 -0.16 0.00 -1.18 0.00 0.00 61.69 59.15 1iwa s THR 330 Cb 0.00 -2.13 -0.20 0.00 1.34 0.00 0.00 72.50 71.51 1iwa s THR 330 CO 0.00 0.35 1.20 0.58 -0.54 0.00 0.00 174.62 176.21 1iwa h VAL 331 N 4.00 1.34 -0.02 2.29 2.07 -1.88 -3.31 116.25 120.75 1iwa h VAL 331 Ca -0.47 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1iwa h VAL 331 Cb 1.15 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1iwa h VAL 331 CO 0.47 0.61 -0.11 1.33 0.02 0.00 0.00 177.57 179.89 1iwa n VAL 332 N -4.08 0.00 -0.18 2.57 0.24 -1.26 -4.74 118.33 110.88 1iwa n VAL 332 Ca -0.09 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1iwa n VAL 332 Cb 0.72 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 1iwa n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iwa n GLY 333 N 1.29 -2.57 0.03 7.63 0.00 -1.25 -4.48 105.19 105.85 1iwa n GLY 333 Ca 0.15 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.91 1iwa n GLY 333 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iwa n LYS 334 N -0.77 0.10 -4.06 1.61 2.85 0.16 -4.68 118.16 113.38 1iwa n LYS 334 Ca 0.00 -0.06 -0.32 0.00 -1.05 0.00 0.00 58.31 56.88 1iwa n LYS 334 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 1iwa n LYS 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1iwa s LEU 335 N -2.94 3.92 0.41 -5.58 2.01 -1.26 -5.02 118.68 110.22 1iwa s LEU 335 Ca 0.12 0.10 -0.19 0.00 0.01 0.00 0.00 54.13 54.17 1iwa s LEU 335 Cb 0.18 -2.44 -0.15 0.00 0.01 0.00 0.00 46.19 43.79 1iwa s LEU 335 CO 0.69 0.22 0.02 1.21 1.01 0.00 0.00 176.35 179.50 1iwa n GLU 336 N 0.79 0.00 0.00 1.70 4.07 -1.26 -4.65 120.64 121.29 1iwa n GLU 336 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1iwa n GLU 336 Cb 0.52 -0.95 0.00 0.00 -0.06 0.00 0.00 31.44 30.95 1iwa n GLU 336 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iwa n GLY 337 N 2.27 -1.43 3.74 8.31 0.00 -1.26 -4.57 105.19 112.25 1iwa n GLY 337 Ca 0.10 0.79 -0.42 0.00 0.00 0.00 0.00 46.02 46.49 1iwa n GLY 337 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iwa s ASP 338 N 0.00 6.63 0.20 1.61 2.15 -1.26 -4.42 116.67 121.58 1iwa s ASP 338 Ca 0.00 2.65 -0.12 0.00 0.43 0.00 0.00 52.55 55.51 1iwa s ASP 338 Cb 0.00 -2.61 0.26 0.00 -0.30 0.00 0.00 42.92 40.26 1iwa s ASP 338 CO 0.00 -0.74 1.68 1.55 -0.17 0.00 0.00 175.17 177.49 1iwa h PRO 339 N 5.58 0.14 -0.01 4.34 0.13 -1.97 -0.13 132.00 140.08 1iwa h PRO 339 Ca -0.45 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1iwa h PRO 339 Cb 1.21 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1iwa h PRO 339 CO 0.82 0.10 -0.83 0.82 -0.23 0.00 0.00 178.00 178.67 1iwa h ILE 340 N 0.15 1.48 -0.21 -3.56 2.04 -1.93 -2.65 117.51 112.83 1iwa h ILE 340 Ca 0.30 -2.51 -0.18 0.00 1.00 0.00 0.00 64.86 63.46 1iwa h ILE 340 Cb 0.46 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1iwa h ILE 340 CO -0.46 0.73 -0.59 0.40 0.00 0.00 0.00 178.15 178.23 1iwa h ILE 341 N 0.12 1.30 -0.14 -0.67 1.08 -1.75 -2.84 117.51 114.62 1iwa h ILE 341 Ca -0.04 -1.82 -0.05 0.00 -0.39 0.00 0.00 64.86 62.57 1iwa h ILE 341 Cb 1.44 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.94 1iwa h ILE 341 CO 0.13 0.58 -0.13 0.74 -0.69 0.00 0.00 178.15 178.77 1iwa h THR 342 N 0.53 1.17 -0.59 -0.27 2.02 -1.00 -1.61 112.91 113.15 1iwa h THR 342 Ca 0.00 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1iwa h THR 342 Cb 1.17 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1iwa h THR 342 CO 0.12 0.23 0.07 -0.09 0.37 0.00 0.00 175.52 176.22 1iwa h ARG 343 N 0.20 1.00 -0.94 6.66 2.43 -1.28 -0.92 114.38 121.53 1iwa h ARG 343 Ca 0.04 -0.28 0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1iwa h ARG 343 Cb 0.36 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1iwa h ARG 343 CO 0.02 0.95 0.60 0.78 -1.51 0.00 0.00 179.97 180.82 1iwa h GLY 344 N 0.89 1.40 0.93 2.80 0.00 -1.08 0.11 103.07 108.12 1iwa h GLY 344 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1iwa h GLY 344 CO 0.02 0.35 -0.20 0.74 0.00 0.00 0.00 176.54 177.44 1iwa h PHE 345 N 1.13 -0.53 -0.73 5.60 0.05 -0.83 -0.73 116.94 120.90 1iwa h PHE 345 Ca 0.39 -0.01 0.05 0.00 3.82 0.00 0.00 57.97 62.23 1iwa h PHE 345 Cb 0.09 0.18 -0.05 0.00 2.00 0.00 0.00 35.95 38.17 1iwa h PHE 345 CO -0.01 -0.32 0.44 1.88 -0.18 0.00 0.00 178.31 180.12 1iwa h TYR 346 N -0.52 0.81 -0.10 -0.55 -1.99 -0.57 -2.28 116.97 111.77 1iwa h TYR 346 Ca -0.04 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1iwa h TYR 346 Cb 0.42 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 1iwa h TYR 346 CO -0.08 0.42 0.06 0.87 -0.00 0.00 0.00 178.16 179.43 1iwa h LYS 347 N 0.82 0.13 -0.96 4.88 1.57 -0.57 -0.38 116.57 122.06 1iwa h LYS 347 Ca 0.32 -0.01 0.24 0.00 -1.87 0.00 0.00 60.65 59.32 1iwa h LYS 347 Cb 0.14 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1iwa h LYS 347 CO -0.16 0.11 0.64 1.15 -0.57 0.00 0.00 179.45 180.62 1iwa h THR 348 N 0.11 0.60 0.06 -0.16 2.02 -0.59 0.10 112.91 115.06 1iwa h THR 348 Ca 0.03 -0.12 -0.29 0.00 0.77 0.00 0.00 66.41 66.81 1iwa h THR 348 Cb 0.01 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1iwa h THR 348 CO -0.01 0.06 -1.50 -0.07 0.37 0.00 0.00 175.52 174.38 1iwa h LEU 349 N 0.35 0.20 0.00 2.58 3.38 -0.95 -3.43 115.31 117.45 1iwa h LEU 349 Ca 0.51 -0.30 -0.38 0.00 0.09 0.00 0.00 57.88 57.80 1iwa h LEU 349 Cb 1.38 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1iwa h LEU 349 CO -0.19 1.26 -2.11 0.18 0.09 0.00 0.00 178.44 177.67 1iwa n LEU 350 N -3.32 1.93 -4.70 1.67 7.99 -0.21 -1.85 117.00 118.51 1iwa n LEU 350 Ca -0.14 0.37 -0.41 0.00 -0.01 0.00 0.00 56.01 55.82 1iwa n LEU 350 Cb 1.02 -0.85 0.01 0.00 -0.11 0.00 0.00 43.42 43.49 1iwa n LEU 350 CO 0.48 0.44 0.89 0.18 -1.51 0.00 0.00 177.39 177.86 1iwa n LEU 351 N -4.31 4.05 0.05 2.23 4.32 0.26 -4.82 117.00 118.77 1iwa n LEU 351 Ca -0.46 1.11 0.14 0.00 -0.02 0.00 0.00 56.01 56.77 1iwa n LEU 351 Cb 0.80 -1.50 0.51 0.00 -1.62 0.00 0.00 43.42 41.61 1iwa n LEU 351 CO 0.08 -0.64 0.91 -0.81 -1.22 0.00 0.00 177.39 175.71 1iwa n PRO 352 N 0.04 0.12 -3.75 3.23 -0.04 -1.26 -4.77 135.00 128.57 1iwa n PRO 352 Ca 0.07 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 1iwa n PRO 352 Cb 0.40 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 1iwa n PRO 352 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1iwa s LYS 353 N -3.05 0.51 -0.03 0.54 2.20 -1.26 -2.48 119.74 116.17 1iwa s LYS 353 Ca 0.12 0.28 0.05 0.00 -0.36 0.00 0.00 55.97 56.06 1iwa s LYS 353 Cb 0.16 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1iwa s LYS 353 CO 0.57 -0.10 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.79 1iwa s LEU 354 N -0.31 2.63 -0.08 5.43 1.02 0.03 -4.99 118.68 122.42 1iwa s LEU 354 Ca -0.04 -0.27 0.05 0.00 0.02 0.00 0.00 54.13 53.88 1iwa s LEU 354 Cb -0.03 -1.53 -0.00 0.00 0.02 0.00 0.00 46.19 44.65 1iwa s LEU 354 CO 0.02 0.32 -0.23 -1.61 0.02 0.00 0.00 176.35 174.87 1iwa s GLU 355 N -0.87 2.70 0.17 1.70 2.02 -1.26 -1.41 118.70 121.75 1iwa s GLU 355 Ca 0.12 -0.84 -0.32 0.00 0.02 0.00 0.00 54.97 53.95 1iwa s GLU 355 Cb -0.11 -2.15 -0.17 0.00 0.10 0.00 0.00 34.13 31.81 1iwa s GLU 355 CO 0.01 0.25 0.91 -2.13 0.02 0.00 0.00 175.26 174.33 1iwa n ARG 356 N 3.30 0.60 -3.20 1.61 0.63 -1.21 -4.91 116.66 113.48 1iwa n ARG 356 Ca -0.19 0.21 0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1iwa n ARG 356 Cb 0.53 -1.53 -0.01 0.00 0.45 0.00 0.00 32.46 31.90 1iwa n ARG 356 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1iwa s ASN 357 N -0.41 -1.39 0.38 6.15 3.84 0.15 -5.01 114.94 118.64 1iwa s ASN 357 Ca 0.71 -0.49 0.17 0.00 0.21 0.00 0.00 52.86 53.46 1iwa s ASN 357 Cb -0.93 1.90 1.06 0.00 -0.55 0.00 0.00 41.25 42.74 1iwa s ASN 357 CO 0.55 -0.22 1.75 -0.07 -2.79 0.00 0.00 177.10 176.32 1iwa h LEU 358 N 7.36 0.50 -0.59 3.21 -0.00 -1.94 -0.01 115.31 123.84 1iwa h LEU 358 Ca 0.03 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1iwa h LEU 358 Cb 1.18 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 1iwa h LEU 358 CO 0.13 0.07 0.38 1.56 -0.00 0.00 0.00 178.44 180.58 1iwa h GLN 359 N 0.43 0.79 0.00 1.13 4.20 -1.94 -2.91 115.11 116.81 1iwa h GLN 359 Ca 0.62 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 1iwa h GLN 359 Cb 1.49 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1iwa h GLN 359 CO -0.35 0.55 -0.03 0.93 -0.67 0.00 0.00 178.83 179.25 1iwa h GLU 360 N 0.80 0.00 0.00 1.46 5.08 -1.28 -3.42 114.58 117.22 1iwa h GLU 360 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1iwa h GLU 360 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1iwa h GLU 360 CO -0.04 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1iwa n GLY 361 N 1.06 0.73 3.42 -3.84 0.00 -0.61 -4.55 105.19 101.41 1iwa n GLY 361 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1iwa n GLY 361 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwa s LEU 362 N 0.00 4.79 0.15 0.99 1.02 -1.11 -4.77 118.68 119.75 1iwa s LEU 362 Ca 0.00 -1.16 0.27 0.00 0.02 0.00 0.00 54.13 53.26 1iwa s LEU 362 Cb 0.00 -2.38 0.87 0.00 0.02 0.00 0.00 46.19 44.70 1iwa s LEU 362 CO 0.00 -1.30 1.78 0.49 0.02 0.00 0.00 176.35 177.34 1iwa n PHE 363 N 7.13 0.69 -4.37 0.29 3.01 -1.26 0.32 117.46 123.27 1iwa n PHE 363 Ca -0.06 0.20 -0.22 0.00 1.01 0.00 0.00 57.45 58.38 1iwa n PHE 363 Cb 0.44 -0.82 -0.11 0.00 -0.01 0.00 0.00 39.48 38.99 1iwa n PHE 363 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iwa s PHE 364 N -3.08 1.91 0.00 1.38 0.08 -1.26 -4.86 117.98 112.15 1iwa s PHE 364 Ca 0.11 -0.47 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 1iwa s PHE 364 Cb 0.14 -0.90 -0.06 0.00 -0.57 0.00 0.00 43.02 41.63 1iwa s PHE 364 CO 0.59 0.43 0.49 -0.51 -0.10 0.00 0.00 175.22 176.12 1iwa s ASP 365 N -3.04 6.89 -0.17 1.36 -0.00 -1.26 -3.33 116.67 117.11 1iwa s ASP 365 Ca 0.21 1.05 -0.05 0.00 -0.00 0.00 0.00 52.55 53.76 1iwa s ASP 365 Cb -0.04 -2.30 0.08 0.00 -0.00 0.00 0.00 42.92 40.66 1iwa s ASP 365 CO 0.09 0.23 0.34 -0.32 -0.00 0.00 0.00 175.17 175.51 1iwa s MET 366 N -0.70 0.24 0.45 8.23 1.75 -0.50 -4.96 119.30 123.80 1iwa s MET 366 Ca 0.26 0.84 -0.22 0.00 -1.25 0.00 0.00 55.69 55.32 1iwa s MET 366 Cb -0.17 0.04 -0.08 0.00 2.84 0.00 0.00 34.83 37.46 1iwa s MET 366 CO 0.15 -0.32 1.06 -1.21 -0.65 0.00 0.00 175.02 174.05 1iwa s GLU 367 N 2.51 3.93 0.00 4.11 0.41 -1.26 -0.79 118.70 127.61 1iwa s GLU 367 Ca 0.01 1.47 0.23 0.00 -0.41 0.00 0.00 54.97 56.26 1iwa s GLU 367 Cb -0.12 -2.30 0.54 0.00 -1.78 0.00 0.00 34.13 30.47 1iwa s GLU 367 CO -0.11 -0.34 1.47 0.91 -0.49 0.00 0.00 175.26 176.70 1iwa n TRP 368 N -0.57 0.76 -2.13 1.61 5.03 -1.04 -4.83 117.44 116.28 1iwa n TRP 368 Ca 0.07 -0.39 -0.14 0.00 3.03 0.00 0.00 57.50 60.07 1iwa n TRP 368 Cb 0.51 -0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.76 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1iwa n ALA 369 N 1.56 -0.59 -1.07 6.99 0.00 -1.26 -1.53 120.51 124.61 1iwa n ALA 369 Ca 0.22 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 1iwa n ALA 369 Cb 0.61 -1.60 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1iwa n ALA 369 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iwa n SER 370 N -1.48 -4.28 -4.77 0.00 7.64 -1.26 -4.86 113.62 104.61 1iwa n SER 370 Ca -0.16 0.06 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1iwa n SER 370 Cb 0.58 -1.98 0.01 0.00 -1.01 0.00 0.00 64.21 61.81 1iwa n SER 370 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1iwa s LEU 371 N -0.52 4.12 1.00 -3.43 1.43 -0.58 -4.95 118.68 115.74 1iwa s LEU 371 Ca 0.00 2.82 -0.11 0.00 -1.03 0.00 0.00 54.13 55.82 1iwa s LEU 371 Cb 0.00 -3.96 0.19 0.00 0.03 0.00 0.00 46.19 42.45 1iwa s LEU 371 CO 0.00 -1.11 1.10 -0.13 0.23 0.00 0.00 176.35 176.44 1iwa s ARG 372 N -2.43 0.36 -0.04 1.70 0.52 -1.26 -4.97 118.95 112.83 1iwa s ARG 372 Ca 0.61 1.30 -0.19 0.00 -0.52 0.00 0.00 55.73 56.93 1iwa s ARG 372 Cb -0.42 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 1iwa s ARG 372 CO 0.53 -3.00 0.53 0.15 0.02 0.00 0.00 175.30 173.53 1iwa s LYS 373 N -4.59 4.25 0.00 3.54 1.02 -1.26 -4.39 119.74 118.31 1iwa s LYS 373 Ca 0.67 0.59 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 1iwa s LYS 373 Cb -0.23 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 1iwa s LYS 373 CO 0.60 0.37 0.51 0.08 -0.92 0.00 0.00 175.35 176.00 1iwa s VAL 374 N -0.13 4.93 -0.43 3.17 1.01 -0.77 -1.13 120.40 127.04 1iwa s VAL 374 Ca 0.28 1.08 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 1iwa s VAL 374 Cb -0.17 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1iwa s VAL 374 CO 0.14 0.49 0.97 -0.32 0.00 0.00 0.00 175.10 176.39 1iwa s MET 375 N -0.61 3.67 0.49 2.72 1.75 0.96 -4.37 119.30 123.90 1iwa s MET 375 Ca 0.27 0.38 -0.22 0.00 -1.25 0.00 0.00 55.69 54.87 1iwa s MET 375 Cb -0.18 -3.88 -0.07 0.00 2.84 0.00 0.00 34.83 33.54 1iwa s MET 375 CO 0.16 -1.16 1.21 -1.25 -0.65 0.00 0.00 175.02 173.32 1iwa s PRO 376 N 3.80 3.58 -0.09 4.11 0.04 -1.26 -2.48 135.00 142.69 1iwa s PRO 376 Ca 0.39 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.33 1iwa s PRO 376 Cb -0.10 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1iwa s PRO 376 CO 0.25 -0.73 -0.19 0.08 0.04 0.00 0.00 177.00 176.45 1iwa s VAL 377 N -1.51 2.58 -0.22 -0.36 1.01 0.64 -1.77 120.40 120.77 1iwa s VAL 377 Ca 0.66 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1iwa s VAL 377 Cb -0.31 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1iwa s VAL 377 CO 0.37 0.56 -0.01 0.00 0.00 0.00 0.00 175.10 176.02 1iwa s ALA 378 N 0.03 2.96 -0.24 5.51 0.00 -0.42 -0.97 121.76 128.63 1iwa s ALA 378 Ca -0.07 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 1iwa s ALA 378 Cb -0.15 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.25 1iwa s ALA 378 CO 0.05 -0.32 0.61 0.45 0.00 0.00 0.00 175.76 176.56 1iwa s SER 379 N 1.30 -0.77 0.00 0.00 0.15 -1.26 0.22 113.70 113.33 1iwa s SER 379 Ca 0.04 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1iwa s SER 379 Cb -0.15 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1iwa s SER 379 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1iwa n GLY 380 N 3.80 1.64 2.98 9.45 0.00 -1.26 -4.64 105.19 117.16 1iwa n GLY 380 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1iwa n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwa n GLY 381 N 0.00 0.21 3.84 -0.02 0.00 -1.26 0.36 105.19 108.32 1iwa n GLY 381 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1iwa n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iwa s ILE 382 N -1.51 4.49 0.12 -0.61 -4.36 -1.26 -4.66 121.20 113.42 1iwa s ILE 382 Ca 0.00 1.30 -0.11 0.00 -0.26 0.00 0.00 60.65 61.58 1iwa s ILE 382 Cb 0.00 -3.68 0.01 0.00 1.25 0.00 0.00 42.46 40.03 1iwa s ILE 382 CO 0.00 -0.58 0.28 -1.38 0.24 0.00 0.00 174.94 173.50 1iwa s HIS 383 N -2.49 0.14 -0.10 1.37 -3.43 -1.26 -4.48 115.29 105.05 1iwa s HIS 383 Ca 0.60 -0.52 -0.29 0.00 -0.80 0.00 0.00 55.06 54.04 1iwa s HIS 383 Cb -0.10 0.03 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 1iwa s HIS 383 CO 0.26 -0.65 1.87 0.00 -2.00 0.00 0.00 174.74 174.22 1iwa s ALA 384 N -3.88 3.33 0.00 -1.38 0.00 -1.26 -2.38 121.76 116.19 1iwa s ALA 384 Ca 0.08 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1iwa s ALA 384 Cb 0.03 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1iwa s ALA 384 CO -0.08 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.21 1iwa n GLY 385 N 4.75 1.10 1.41 0.00 0.00 -1.26 -4.62 105.19 106.58 1iwa n GLY 385 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1iwa n GLY 385 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iwa n GLN 386 N 0.00 2.96 -0.33 1.61 6.02 -1.00 -4.47 117.38 122.17 1iwa n GLN 386 Ca 0.00 -2.69 0.05 0.00 -0.01 0.00 0.00 57.00 54.35 1iwa n GLN 386 Cb 0.00 -1.65 0.20 0.00 1.02 0.00 0.00 30.24 29.81 1iwa n GLN 386 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1iwa h MET 387 N 4.22 0.88 -0.47 -1.09 4.05 -1.90 0.65 114.93 121.28 1iwa h MET 387 Ca 0.00 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1iwa h MET 387 Cb 1.10 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 1iwa h MET 387 CO 0.06 0.58 0.08 1.12 0.23 0.00 0.00 176.91 178.99 1iwa h HIS 388 N 0.91 0.82 0.00 1.39 2.07 -1.88 -0.62 115.15 117.85 1iwa h HIS 388 Ca 0.45 -0.11 -0.18 0.00 -2.85 0.00 0.00 60.37 57.68 1iwa h HIS 388 Cb 0.42 -0.23 -0.03 0.00 2.57 0.00 0.00 27.41 30.15 1iwa h HIS 388 CO -0.03 0.76 -0.85 -0.56 -3.07 0.00 0.00 177.93 174.18 1iwa h GLN 389 N 0.65 0.00 0.12 5.12 3.07 -1.70 -2.00 115.11 120.37 1iwa h GLN 389 Ca 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.88 1iwa h GLN 389 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1iwa h GLN 389 CO 0.01 0.85 -0.06 -0.07 0.09 0.00 0.00 178.83 179.65 1iwa h LEU 390 N 0.00 -0.14 -1.41 0.06 3.38 0.46 0.96 115.31 118.62 1iwa h LEU 390 Ca -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1iwa h LEU 390 Cb 1.50 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 1iwa h LEU 390 CO 0.11 0.09 0.10 0.40 0.09 0.00 0.00 178.44 179.23 1iwa h ILE 391 N -0.37 1.15 -0.15 1.22 1.08 -1.14 0.32 117.51 119.63 1iwa h ILE 391 Ca -0.02 -0.52 -0.21 0.00 -0.39 0.00 0.00 64.86 63.72 1iwa h ILE 391 Cb 0.30 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1iwa h ILE 391 CO 0.03 0.19 -0.74 -0.74 -0.69 0.00 0.00 178.15 176.20 1iwa h HIS 392 N 0.49 0.92 0.00 1.37 2.76 -1.10 -1.54 115.15 118.05 1iwa h HIS 392 Ca 0.12 -0.40 -0.04 0.00 -2.20 0.00 0.00 60.37 57.85 1iwa h HIS 392 Cb 0.16 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1iwa h HIS 392 CO 0.01 1.21 -0.37 1.88 -1.30 0.00 0.00 177.93 179.36 1iwa h TYR 393 N 0.48 0.00 0.00 5.26 0.05 -0.52 -3.40 116.97 118.83 1iwa h TYR 393 Ca -0.04 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.61 1iwa h TYR 393 Cb 1.35 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.07 1iwa h TYR 393 CO 0.07 0.50 -0.60 -0.07 -1.05 0.00 0.00 178.16 177.01 1iwa h LEU 394 N -1.00 0.00 0.00 3.88 3.38 -0.53 -3.47 115.31 117.57 1iwa h LEU 394 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1iwa h LEU 394 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1iwa h LEU 394 CO -0.04 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.70 1iwa n GLY 395 N 1.20 -2.08 0.15 0.83 0.00 -0.58 -4.65 105.19 100.06 1iwa n GLY 395 Ca 0.01 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 1iwa n GLY 395 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iwa h GLU 396 N 0.00 -0.25 -6.16 1.61 4.81 -1.95 -3.42 114.58 109.23 1iwa h GLU 396 Ca 0.00 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.67 1iwa h GLU 396 Cb 0.00 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 1iwa h GLU 396 CO 0.00 0.16 1.18 -0.51 -0.73 0.00 0.00 179.01 179.11 1iwa s ASP 397 N -5.38 6.30 -0.22 1.04 1.01 -1.26 -2.51 116.67 115.65 1iwa s ASP 397 Ca -0.13 -0.92 -0.32 0.00 0.71 0.00 0.00 52.55 51.90 1iwa s ASP 397 Cb 0.01 -2.55 0.16 0.00 1.01 0.00 0.00 42.92 41.55 1iwa s ASP 397 CO 0.51 -1.66 1.22 0.54 0.21 0.00 0.00 175.17 175.99 1iwa s VAL 398 N 5.23 0.00 -0.40 -1.27 0.11 -1.26 -4.38 120.40 118.43 1iwa s VAL 398 Ca 0.38 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.36 1iwa s VAL 398 Cb -0.06 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.88 1iwa s VAL 398 CO 0.05 0.00 0.22 -0.69 -3.33 0.00 0.00 175.10 171.34 1iwa s VAL 399 N -1.53 3.89 -0.38 2.04 1.01 -0.73 -1.25 120.40 123.46 1iwa s VAL 399 Ca 0.07 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1iwa s VAL 399 Cb -0.01 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1iwa s VAL 399 CO -0.05 -0.50 1.41 -0.76 0.00 0.00 0.00 175.10 175.21 1iwa s LEU 400 N 1.35 3.66 -0.36 3.92 1.02 0.05 -1.30 118.68 127.01 1iwa s LEU 400 Ca 0.03 0.95 -0.13 0.00 0.02 0.00 0.00 54.13 55.01 1iwa s LEU 400 Cb -0.23 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.45 1iwa s LEU 400 CO 0.00 -1.36 0.24 -1.10 0.02 0.00 0.00 176.35 174.16 1iwa s GLN 401 N 4.78 3.18 -0.44 1.70 -0.21 0.13 -0.85 119.66 127.96 1iwa s GLN 401 Ca 0.61 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 1iwa s GLN 401 Cb -0.15 -3.81 0.11 0.00 1.00 0.00 0.00 33.01 30.16 1iwa s GLN 401 CO 0.30 -0.58 0.27 -0.06 -2.12 0.00 0.00 175.29 173.10 1iwa s PHE 402 N 1.66 3.48 0.00 0.91 0.40 0.71 -4.20 117.98 120.95 1iwa s PHE 402 Ca 0.05 -2.06 0.00 0.00 -0.60 0.00 0.00 56.93 54.32 1iwa s PHE 402 Cb -0.18 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.04 1iwa s PHE 402 CO 0.09 -0.97 0.00 0.41 0.70 0.00 0.00 175.22 175.45 1iwa n GLY 403 N 4.78 1.64 0.22 4.36 0.00 -1.26 -3.93 105.19 110.99 1iwa n GLY 403 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1iwa n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iwa h GLY 404 N 0.00 0.03 1.29 -0.02 0.00 -1.92 -2.25 103.07 100.21 1iwa h GLY 404 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1iwa h GLY 404 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1iwa n GLY 405 N -0.87 -0.27 0.74 4.60 0.00 -1.26 -1.02 105.19 107.11 1iwa n GLY 405 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1iwa n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iwa n THR 406 N -1.14 0.00 0.21 2.61 -1.04 -0.86 -4.73 114.28 109.33 1iwa n THR 406 Ca 0.02 0.08 0.14 0.00 -2.04 0.00 0.00 64.05 62.25 1iwa n THR 406 Cb 0.02 -1.04 0.73 0.00 -1.82 0.00 0.00 70.33 68.22 1iwa n THR 406 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1iwa h ILE 407 N 0.00 0.00 -0.07 12.58 2.04 -1.61 -1.62 117.51 128.82 1iwa h ILE 407 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1iwa h ILE 407 Cb 0.00 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1iwa h ILE 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1iwa n GLY 408 N -1.24 -0.46 3.75 5.37 0.00 -0.19 -4.78 105.19 107.64 1iwa n GLY 408 Ca -0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1iwa n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iwa s HIS 409 N -1.91 3.42 -0.67 1.61 5.04 -0.61 -4.94 115.29 117.24 1iwa s HIS 409 Ca 0.29 1.51 0.19 0.00 -1.54 0.00 0.00 55.06 55.51 1iwa s HIS 409 Cb 0.14 -3.42 0.81 0.00 0.04 0.00 0.00 32.58 30.15 1iwa s HIS 409 CO 0.23 -1.08 1.57 -0.35 -2.34 0.00 0.00 174.74 172.77 1iwa n PRO 410 N 1.81 0.11 -0.12 2.88 -0.04 -1.26 -2.96 135.00 135.40 1iwa n PRO 410 Ca 0.02 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 1iwa n PRO 410 Cb 0.44 -1.72 0.14 0.00 -0.04 0.00 0.00 33.50 32.32 1iwa n PRO 410 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iwa n ASP 411 N -1.93 2.86 0.00 3.54 10.43 -1.26 -5.08 116.55 125.10 1iwa n ASP 411 Ca 0.02 -1.84 0.00 0.00 2.57 0.00 0.00 54.79 55.54 1iwa n ASP 411 Cb 0.18 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 42.97 1iwa n ASP 411 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iwa n GLY 412 N 0.97 2.78 0.26 0.44 0.00 -1.16 -4.68 105.19 103.80 1iwa n GLY 412 Ca 0.13 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 1iwa n GLY 412 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwa h ILE 413 N 0.00 1.26 -0.28 -0.61 2.04 -1.84 -2.48 117.51 115.60 1iwa h ILE 413 Ca 0.00 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1iwa h ILE 413 Cb 0.00 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1iwa h ILE 413 CO 0.00 0.41 0.06 1.56 0.00 0.00 0.00 178.15 180.18 1iwa h GLN 414 N 0.62 0.46 -0.56 2.37 4.20 -1.90 -1.46 115.11 118.84 1iwa h GLN 414 Ca 0.10 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1iwa h GLN 414 Cb 0.64 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1iwa h GLN 414 CO 0.05 0.56 0.25 0.00 -0.67 0.00 0.00 178.83 179.02 1iwa h ALA 415 N 0.88 0.72 -0.99 3.87 0.00 -1.81 0.19 119.26 122.12 1iwa h ALA 415 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1iwa h ALA 415 Cb 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1iwa h ALA 415 CO 0.00 -0.12 0.65 0.78 0.00 0.00 0.00 179.25 180.57 1iwa h GLY 416 N 0.48 1.41 0.81 0.00 0.00 -1.18 -1.17 103.07 103.42 1iwa h GLY 416 Ca 0.26 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1iwa h GLY 416 CO -0.21 0.47 -0.19 0.00 0.00 0.00 0.00 176.54 176.60 1iwa h ALA 417 N 1.40 0.28 -0.81 3.60 0.00 -0.15 -3.09 119.26 120.48 1iwa h ALA 417 Ca 0.38 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1iwa h ALA 417 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1iwa h ALA 417 CO -0.10 0.21 0.52 1.15 0.00 0.00 0.00 179.25 181.03 1iwa h THR 418 N 0.13 1.16 0.11 0.00 2.02 -0.28 -1.22 112.91 114.83 1iwa h THR 418 Ca 0.03 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1iwa h THR 418 Cb 0.74 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1iwa h THR 418 CO 0.05 0.19 -0.31 0.00 0.37 0.00 0.00 175.52 175.82 1iwa h ALA 419 N 1.32 -0.52 -0.71 6.16 0.00 -1.22 0.77 119.26 125.06 1iwa h ALA 419 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1iwa h ALA 419 Cb -0.05 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1iwa h ALA 419 CO -0.09 -0.85 0.45 -0.91 0.00 0.00 0.00 179.25 177.85 1iwa h ASN 420 N -0.53 0.83 -0.76 0.00 2.35 -1.42 -0.28 115.58 115.78 1iwa h ASN 420 Ca 0.03 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1iwa h ASN 420 Cb 0.56 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1iwa h ASN 420 CO -0.18 0.62 0.42 -0.09 -1.65 0.00 0.00 177.43 176.55 1iwa h ARG 421 N 0.97 1.05 -0.10 0.81 9.65 -0.79 0.63 114.38 126.60 1iwa h ARG 421 Ca 0.26 -0.12 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1iwa h ARG 421 Cb -0.08 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.30 1iwa h ARG 421 CO -0.05 0.78 -0.19 0.28 2.80 0.00 0.00 179.97 183.58 1iwa h VAL 422 N 1.05 1.39 -0.51 0.20 2.07 -0.59 -1.98 116.25 117.89 1iwa h VAL 422 Ca 0.27 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.38 1iwa h VAL 422 Cb 0.03 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1iwa h VAL 422 CO -0.04 0.42 0.19 0.00 0.02 0.00 0.00 177.57 178.16 1iwa h ALA 423 N 0.52 0.63 0.66 1.67 0.00 -0.91 0.27 119.26 122.09 1iwa h ALA 423 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1iwa h ALA 423 Cb 0.77 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1iwa h ALA 423 CO 0.04 -0.20 -0.45 1.25 0.00 0.00 0.00 179.25 179.89 1iwa h LEU 424 N 0.38 -1.17 -0.67 0.00 5.85 -0.83 0.72 115.31 119.60 1iwa h LEU 424 Ca 0.24 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1iwa h LEU 424 Cb 0.24 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1iwa h LEU 424 CO -0.23 -0.67 0.42 -0.33 -0.34 0.00 0.00 178.44 177.29 1iwa h GLU 425 N -1.06 0.81 -0.99 1.25 5.08 -1.18 -1.76 114.58 116.73 1iwa h GLU 425 Ca -0.09 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1iwa h GLU 425 Cb 0.86 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1iwa h GLU 425 CO 0.06 0.53 0.65 0.00 -1.00 0.00 0.00 179.01 179.25 1iwa h ALA 426 N 1.28 1.28 0.00 3.43 0.00 -0.36 -0.84 119.26 124.05 1iwa h ALA 426 Ca 0.27 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1iwa h ALA 426 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1iwa h ALA 426 CO -0.10 0.61 -0.61 1.98 0.00 0.00 0.00 179.25 181.13 1iwa h MET 427 N 1.31 0.00 0.00 0.00 1.85 -0.13 -2.90 114.93 115.05 1iwa h MET 427 Ca 0.37 0.00 -0.17 0.00 -0.61 0.00 0.00 59.70 59.30 1iwa h MET 427 Cb -0.10 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 1iwa h MET 427 CO -0.10 0.61 -1.26 -0.84 -0.40 0.00 0.00 176.91 174.93 1iwa h ILE 428 N 0.00 0.64 -0.22 1.77 -0.00 -1.03 -2.92 117.51 115.75 1iwa h ILE 428 Ca -0.01 -2.15 -0.00 0.00 -0.00 0.00 0.00 64.86 62.70 1iwa h ILE 428 Cb 1.09 2.17 -0.01 0.00 -0.00 0.00 0.00 36.82 40.07 1iwa h ILE 428 CO 0.08 0.37 0.14 0.25 -0.00 0.00 0.00 178.15 178.98 1iwa h LEU 429 N 0.00 0.27 -1.33 0.16 7.12 -1.15 0.38 115.31 120.77 1iwa h LEU 429 Ca -0.14 -0.04 0.02 0.00 0.13 0.00 0.00 57.88 57.84 1iwa h LEU 429 Cb 1.59 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 41.62 1iwa h LEU 429 CO 0.06 0.23 0.46 0.00 -0.13 0.00 0.00 178.44 179.06 1iwa h ALA 430 N 1.05 1.54 0.26 1.25 0.00 -1.58 -1.73 119.26 120.03 1iwa h ALA 430 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 430 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1iwa h ALA 430 CO -0.02 0.41 -0.12 -0.09 0.00 0.00 0.00 179.25 179.44 1iwa h ARG 431 N 0.91 -0.33 -0.21 0.00 2.43 -1.06 -2.34 114.38 113.79 1iwa h ARG 431 Ca 0.26 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1iwa h ARG 431 Cb -0.05 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1iwa h ARG 431 CO -0.06 -0.16 0.19 -0.91 -1.51 0.00 0.00 179.97 177.52 1iwa h ASN 432 N -0.43 0.00 -0.03 -3.80 4.21 -0.43 0.21 115.58 115.31 1iwa h ASN 432 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1iwa h ASN 432 Cb 0.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1iwa h ASN 432 CO 0.06 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.58 1iwa n GLU 433 N -4.03 1.09 -1.64 0.81 1.02 -0.70 -4.87 120.64 112.32 1iwa n GLU 433 Ca 0.02 -0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 56.87 1iwa n GLU 433 Cb 0.32 -1.16 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 1iwa n GLU 433 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iwa n ASN 434 N -0.52 -4.77 -4.85 1.62 2.85 0.74 -5.00 115.26 105.34 1iwa n ASN 434 Ca 0.08 0.28 -0.32 0.00 -0.11 0.00 0.00 54.58 54.51 1iwa n ASN 434 Cb 0.06 -3.67 -0.02 0.00 1.24 0.00 0.00 39.78 37.40 1iwa n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1iwa s ARG 435 N -3.62 3.78 -1.31 1.20 0.52 -1.00 -4.93 118.95 113.58 1iwa s ARG 435 Ca 0.00 0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 55.95 1iwa s ARG 435 Cb 0.00 -2.11 0.09 0.00 0.52 0.00 0.00 34.95 33.45 1iwa s ARG 435 CO 0.00 -0.42 1.77 -3.47 0.02 0.00 0.00 175.30 173.20 1iwa n ASP 436 N -2.03 4.84 0.28 0.23 4.64 -1.26 -4.72 116.55 118.52 1iwa n ASP 436 Ca 0.06 -2.93 0.16 0.00 -1.38 0.00 0.00 54.79 50.71 1iwa n ASP 436 Cb 0.54 -1.70 0.79 0.00 -1.04 0.00 0.00 41.12 39.71 1iwa n ASP 436 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 1iwa h TYR 437 N 7.20 0.00 -0.48 -0.67 -0.00 -1.92 0.55 116.97 121.65 1iwa h TYR 437 Ca 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 59.06 1iwa h TYR 437 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.54 1iwa h TYR 437 CO 1.37 0.08 -0.16 1.25 -0.00 0.00 0.00 178.16 180.71 1iwa h LEU 438 N 0.00 0.96 0.05 0.10 6.46 -1.85 0.18 115.31 121.20 1iwa h LEU 438 Ca -0.00 -0.38 -0.16 0.00 -0.12 0.00 0.00 57.88 57.22 1iwa h LEU 438 Cb 0.36 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1iwa h LEU 438 CO 0.01 1.12 -0.84 0.74 -0.62 0.00 0.00 178.44 178.84 1iwa h THR 439 N 0.80 1.30 -0.02 1.05 2.02 -1.89 -3.34 112.91 112.82 1iwa h THR 439 Ca 0.12 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1iwa h THR 439 Cb 0.72 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1iwa h THR 439 CO 0.06 0.56 0.00 -0.62 0.37 0.00 0.00 175.52 175.89 1iwa n GLU 440 N -4.32 1.12 -0.12 6.66 1.02 0.16 -4.47 120.64 120.69 1iwa n GLU 440 Ca -0.21 -0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 56.71 1iwa n GLU 440 Cb 0.69 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.68 1iwa n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1iwa h GLY 441 N 5.18 -1.83 -0.63 0.62 0.00 -0.77 0.88 103.07 106.53 1iwa h GLY 441 Ca 0.00 0.93 0.13 0.00 0.00 0.00 0.00 47.33 48.39 1iwa h GLY 441 CO 0.00 -0.57 -0.32 -2.55 0.00 0.00 0.00 176.54 173.10 1iwa h PRO 442 N -0.06 -0.08 -0.47 4.80 0.11 -1.85 0.15 132.00 134.60 1iwa h PRO 442 Ca 0.05 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.21 1iwa h PRO 442 Cb 0.19 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 1iwa h PRO 442 CO -0.31 -0.05 0.21 0.93 -0.21 0.00 0.00 178.00 178.57 1iwa h GLU 443 N -0.08 0.41 -0.66 1.05 4.39 -1.69 0.67 114.58 118.67 1iwa h GLU 443 Ca 0.30 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.05 1iwa h GLU 443 Cb 0.57 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 1iwa h GLU 443 CO -0.80 0.27 0.33 0.82 -1.16 0.00 0.00 179.01 178.47 1iwa h ILE 444 N 0.43 0.88 -0.17 3.13 2.04 0.17 0.47 117.51 124.46 1iwa h ILE 444 Ca 0.21 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 1iwa h ILE 444 Cb 0.16 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1iwa h ILE 444 CO -0.17 0.11 -0.22 -0.07 0.00 0.00 0.00 178.15 177.79 1iwa h LEU 445 N 0.58 0.49 -1.29 1.44 3.38 -0.78 -2.07 115.31 117.06 1iwa h LEU 445 Ca 0.31 -0.51 0.10 0.00 0.09 0.00 0.00 57.88 57.88 1iwa h LEU 445 Cb 0.29 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1iwa h LEU 445 CO -0.24 0.90 0.55 -0.09 0.09 0.00 0.00 178.44 179.65 1iwa h ARG 446 N 0.10 0.76 -0.22 1.13 2.43 -0.21 0.25 114.38 118.61 1iwa h ARG 446 Ca 0.02 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 1iwa h ARG 446 Cb 0.78 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1iwa h ARG 446 CO 0.05 0.50 -0.63 1.49 -1.51 0.00 0.00 179.97 179.87 1iwa h GLU 447 N 0.78 0.78 0.00 0.20 4.57 0.05 -2.98 114.58 117.99 1iwa h GLU 447 Ca 0.39 -0.54 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 1iwa h GLU 447 Cb 0.46 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1iwa h GLU 447 CO -0.16 1.17 -0.26 0.00 -1.18 0.00 0.00 179.01 178.58 1iwa h ALA 448 N 0.70 0.95 0.00 2.92 0.00 -0.54 -2.62 119.26 120.68 1iwa h ALA 448 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1iwa h ALA 448 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1iwa h ALA 448 CO 0.13 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1iwa h ALA 449 N 1.74 1.00 0.47 0.00 0.00 -0.39 -2.95 119.26 119.13 1iwa h ALA 449 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1iwa h ALA 449 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1iwa h ALA 449 CO 0.03 0.00 -0.23 0.87 0.00 0.00 0.00 179.25 179.93 1iwa h LYS 450 N 0.00 -0.61 -0.07 0.00 1.57 -1.48 -3.24 116.57 112.74 1iwa h LYS 450 Ca 0.00 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1iwa h LYS 450 Cb 0.34 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1iwa h LYS 450 CO 0.00 -0.33 -0.36 1.15 -0.57 0.00 0.00 179.45 179.35 1iwa h THR 451 N -0.80 1.28 -3.08 -0.16 2.02 -1.69 -3.42 112.91 107.06 1iwa h THR 451 Ca -0.06 -1.33 -0.67 0.00 0.77 0.00 0.00 66.41 65.12 1iwa h THR 451 Cb 0.56 1.62 -0.35 0.00 -1.74 0.00 0.00 68.15 68.24 1iwa h THR 451 CO 0.11 0.39 -0.86 0.00 0.37 0.00 0.00 175.52 175.53 1iwa h GLY 453 N 7.94 0.02 1.02 0.00 0.00 -1.82 -3.18 103.07 107.05 1iwa h GLY 453 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1iwa h GLY 453 CO 0.63 0.02 0.51 0.00 0.00 0.00 0.00 176.54 177.70 1iwa h ALA 454 N 1.46 1.15 -0.76 3.60 0.00 -1.91 -2.29 119.26 120.51 1iwa h ALA 454 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1iwa h ALA 454 Cb 0.93 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1iwa h ALA 454 CO 0.07 0.64 0.31 1.25 0.00 0.00 0.00 179.25 181.52 1iwa h LEU 455 N 1.25 1.04 0.13 0.00 5.85 -1.86 -2.87 115.31 118.84 1iwa h LEU 455 Ca 0.32 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1iwa h LEU 455 Cb -0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1iwa h LEU 455 CO -0.05 0.91 -0.38 -0.09 -0.34 0.00 0.00 178.44 178.49 1iwa h ARG 456 N 1.11 -0.59 -0.88 1.25 2.43 -1.45 -1.45 114.38 114.79 1iwa h ARG 456 Ca 0.26 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.60 1iwa h ARG 456 Cb 0.19 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 1iwa h ARG 456 CO -0.02 -0.39 0.57 1.15 -1.51 0.00 0.00 179.97 179.76 1iwa h THR 457 N -0.61 0.85 -0.30 0.20 2.02 -1.37 -1.82 112.91 111.87 1iwa h THR 457 Ca 0.03 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1iwa h THR 457 Cb 0.64 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1iwa h THR 457 CO -0.22 0.13 -0.01 0.00 0.37 0.00 0.00 175.52 175.79 1iwa h ALA 458 N 1.60 0.41 -0.02 6.16 0.00 -1.17 -1.75 119.26 124.48 1iwa h ALA 458 Ca 0.44 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1iwa h ALA 458 Cb 0.68 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iwa h ALA 458 CO -0.20 0.16 0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1iwa h LEU 459 N 0.33 0.00 0.03 0.00 3.38 -0.42 -2.88 115.31 115.74 1iwa h LEU 459 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1iwa h LEU 459 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1iwa h LEU 459 CO 0.02 0.00 -0.75 0.44 0.09 0.00 0.00 178.44 178.23 1iwa h ASP 460 N 0.00 0.10 0.00 -0.43 3.32 -1.30 -3.21 116.42 114.90 1iwa h ASP 460 Ca 0.01 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1iwa h ASP 460 Cb 0.05 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1iwa h ASP 460 CO -0.00 1.31 0.00 -0.11 -1.72 0.00 0.00 179.24 178.72 1iwa n LEU 461 N -4.39 0.00 -2.66 1.55 0.00 -0.68 -2.77 117.00 108.05 1iwa n LEU 461 Ca -0.21 0.71 -0.32 0.00 0.00 0.00 0.00 56.01 56.19 1iwa n LEU 461 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 43.42 43.84 1iwa n LEU 461 CO 0.31 -0.21 1.57 0.79 0.00 0.00 0.00 177.39 179.85 1iwa n TRP 462 N -1.53 2.15 -0.04 1.96 8.01 -1.12 -4.66 117.44 122.21 1iwa n TRP 462 Ca 0.00 -2.09 -0.13 0.00 -1.31 0.00 0.00 57.50 53.96 1iwa n TRP 462 Cb 0.00 -1.30 -0.08 0.00 -2.01 0.00 0.00 31.31 27.91 1iwa n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1iwa h LYS 463 N 3.00 0.26 -0.59 -0.99 3.64 -1.52 -3.31 116.57 117.07 1iwa h LYS 463 Ca 0.46 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1iwa h LYS 463 Cb 0.44 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1iwa h LYS 463 CO 1.10 0.71 0.00 -0.25 -2.27 0.00 0.00 179.45 178.74 1iwa n ASP 464 N -4.61 3.98 -4.69 4.20 9.92 -1.26 -4.98 116.55 119.12 1iwa n ASP 464 Ca -0.07 -2.21 -0.42 0.00 -0.53 0.00 0.00 54.79 51.55 1iwa n ASP 464 Cb 0.36 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 1iwa n ASP 464 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1iwa s ILE 465 N -1.40 3.41 -0.09 0.53 -1.09 -1.25 -5.00 121.20 116.32 1iwa s ILE 465 Ca 0.43 0.80 -0.15 0.00 -2.23 0.00 0.00 60.65 59.50 1iwa s ILE 465 Cb 0.25 -3.51 0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1iwa s ILE 465 CO 0.25 -0.01 0.37 0.28 -1.23 0.00 0.00 174.94 174.60 1iwa s THR 466 N 2.66 0.02 -0.71 2.92 -1.32 -1.26 -5.08 115.64 112.87 1iwa s THR 466 Ca 0.69 -0.19 0.04 0.00 -1.21 0.00 0.00 61.69 61.02 1iwa s THR 466 Cb -0.35 -0.59 0.17 0.00 -1.51 0.00 0.00 72.50 70.21 1iwa s THR 466 CO 0.29 -0.10 0.50 -0.36 -2.21 0.00 0.00 174.62 172.74 1iwa s PHE 467 N -0.48 3.57 -0.42 9.09 0.08 -1.26 -5.06 117.98 123.51 1iwa s PHE 467 Ca -0.06 -3.30 -0.13 0.00 0.12 0.00 0.00 56.93 53.56 1iwa s PHE 467 Cb -0.04 -2.77 0.04 0.00 -0.57 0.00 0.00 43.02 39.68 1iwa s PHE 467 CO 0.02 -0.58 0.29 -0.80 -0.10 0.00 0.00 175.22 174.06 1iwa s ASN 468 N -1.22 5.95 0.01 1.36 -0.87 -1.26 -4.89 114.94 114.02 1iwa s ASN 468 Ca 0.24 -1.13 -0.03 0.00 -1.57 0.00 0.00 52.86 50.38 1iwa s ASN 468 Cb -0.07 -2.11 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 1iwa s ASN 468 CO -0.15 -0.50 0.04 -0.31 -2.57 0.00 0.00 177.10 173.61 1iwa s TYR 469 N 1.60 0.13 0.74 2.20 1.51 -1.26 -5.14 117.35 117.12 1iwa s TYR 469 Ca 0.04 -0.27 -0.16 0.00 -1.01 0.00 0.00 57.07 55.67 1iwa s TYR 469 Cb -0.21 -0.10 0.01 0.00 -0.11 0.00 0.00 41.96 41.55 1iwa s TYR 469 CO 0.07 -0.19 0.94 2.41 -1.11 0.00 0.00 175.55 177.67 1iwa n THR 470 N 1.85 2.57 -3.49 -0.71 -1.04 -1.26 -4.97 114.28 107.22 1iwa n THR 470 Ca -0.21 -0.35 -0.37 0.00 -2.04 0.00 0.00 64.05 61.08 1iwa n THR 470 Cb 0.56 -1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 67.94 1iwa n THR 470 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1iwa s SER 471 N -1.68 6.79 -0.14 8.00 0.01 -1.26 -4.99 113.70 120.43 1iwa s SER 471 Ca 0.72 0.95 0.02 0.00 1.31 0.00 0.00 55.95 58.95 1iwa s SER 471 Cb -0.34 -2.24 -0.24 0.00 0.21 0.00 0.00 66.02 63.42 1iwa s SER 471 CO 0.51 0.27 0.29 0.35 0.41 0.00 0.00 173.24 175.07 1iwa n THR 472 N 1.52 1.65 -3.46 1.44 -2.24 -1.26 -4.56 114.28 107.36 1iwa n THR 472 Ca -0.12 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 1iwa n THR 472 Cb 0.52 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.34 1iwa n THR 472 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iwa s ASP 473 N -6.55 6.65 0.57 3.42 2.15 -1.25 -4.09 116.67 117.56 1iwa s ASP 473 Ca -0.19 -3.43 0.06 0.00 0.43 0.00 0.00 52.55 49.41 1iwa s ASP 473 Cb 0.07 -2.09 0.07 0.00 -0.30 0.00 0.00 42.92 40.68 1iwa s ASP 473 CO 0.76 -0.31 0.79 -0.89 -0.17 0.00 0.00 175.17 175.35 1iwa s THR 474 N -0.96 2.40 0.26 1.71 2.01 -1.26 -4.60 115.64 115.20 1iwa s THR 474 Ca 0.26 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 1iwa s THR 474 Cb -0.10 -2.55 -0.08 0.00 0.01 0.00 0.00 72.50 69.78 1iwa s THR 474 CO -0.09 0.00 0.70 -0.55 -0.69 0.00 0.00 174.62 173.99 1iwa s SER 475 N -4.58 6.89 0.01 3.53 0.15 -1.26 -4.99 113.70 113.44 1iwa s SER 475 Ca 0.61 1.30 0.22 0.00 0.70 0.00 0.00 55.95 58.78 1iwa s SER 475 Cb -0.07 -2.38 -0.08 0.00 -1.71 0.00 0.00 66.02 61.78 1iwa s SER 475 CO 0.39 -0.07 0.94 0.47 1.20 0.00 0.00 173.24 176.17 1iwa n ASP 476 N 0.19 0.72 -2.43 5.45 8.00 -1.26 -4.37 116.55 122.85 1iwa n ASP 476 Ca 0.00 -0.60 -0.27 0.00 0.71 0.00 0.00 54.79 54.63 1iwa n ASP 476 Cb 0.52 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 1iwa n ASP 476 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iwa n PHE 477 N -1.70 3.32 -1.03 1.24 3.01 -1.26 -4.68 117.46 116.35 1iwa n PHE 477 Ca 0.03 -2.98 0.00 0.00 1.01 0.00 0.00 57.45 55.51 1iwa n PHE 477 Cb 0.38 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10