#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 3.86 -0.82 -0.78 3.00 -1.26 -5.09 116.66 115.57 1iwa n ARG 7 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1iwa n ARG 7 Cb 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 32.46 32.29 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 -0.56 0.00 -2.64 5.15 5.41 -1.26 -5.00 119.36 120.46 1iwa n ILE 8 Ca 0.00 -0.24 -0.22 0.00 1.00 0.00 0.00 62.75 63.30 1iwa n ILE 8 Cb 0.00 -0.53 0.04 0.00 -0.71 0.00 0.00 39.64 38.44 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 -3.38 2.57 -0.44 0.38 2.47 -1.26 -5.08 119.74 115.00 1iwa s LYS 9 Ca 0.54 -0.72 0.06 0.00 -1.56 0.00 0.00 55.97 54.28 1iwa s LYS 9 Cb -0.20 -2.47 0.32 0.00 -1.46 0.00 0.00 37.83 34.01 1iwa s LYS 9 CO 0.70 -0.71 1.16 -1.71 0.16 0.00 0.00 175.35 174.95 1iwa n ASN 10 N -2.36 -2.17 0.00 1.43 2.85 -1.26 -4.81 115.26 108.95 1iwa n ASN 10 Ca 0.07 -3.32 0.00 0.00 -0.11 0.00 0.00 54.58 51.23 1iwa n ASN 10 Cb 0.60 1.77 0.00 0.00 1.24 0.00 0.00 39.78 43.39 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 0.49 1.21 0.04 1.20 3.41 -1.26 -4.98 113.62 113.73 1iwa n SER 11 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1iwa n SER 11 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1iwa n SER 11 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iwa h ARG 12 N 0.00 0.47 -1.04 4.33 9.65 -2.04 -3.27 114.38 122.49 1iwa h ARG 12 Ca 0.00 -0.40 -0.62 0.00 -1.10 0.00 0.00 59.98 57.86 1iwa h ARG 12 Cb 0.00 0.09 -0.28 0.00 -1.39 0.00 0.00 29.97 28.39 1iwa h ARG 12 CO 0.00 1.04 0.79 0.66 2.80 0.00 0.00 179.97 185.26 1iwa n TYR 13 N -3.84 3.05 -3.65 2.20 4.02 -1.26 -4.93 117.16 112.74 1iwa n TYR 13 Ca -0.05 -2.71 -0.36 0.00 -0.01 0.00 0.00 57.90 54.77 1iwa n TYR 13 Cb 0.73 -1.31 -0.07 0.00 -0.02 0.00 0.00 39.34 38.66 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 -3.54 4.16 -0.44 -0.72 -1.05 -1.24 -4.38 118.70 111.50 1iwa s GLU 14 Ca 0.60 -0.07 -0.43 0.00 -0.15 0.00 0.00 54.97 54.93 1iwa s GLU 14 Cb 0.48 -3.40 -0.18 0.00 -0.44 0.00 0.00 34.13 30.58 1iwa s GLU 14 CO 0.01 0.31 1.45 0.43 0.95 0.00 0.00 175.26 178.41 1iwa n SER 15 N 3.41 1.06 0.00 0.83 7.64 -1.26 -4.85 113.62 120.45 1iwa n SER 15 Ca -0.14 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1iwa n SER 15 Cb 0.52 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 3.57 3.99 3.72 0.23 0.00 -1.26 -5.04 105.19 110.40 1iwa n GLY 16 Ca 0.28 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.20 4.59 0.08 1.61 1.01 -1.26 -3.49 120.40 121.73 1iwa s VAL 17 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1iwa s VAL 17 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1iwa s VAL 17 CO 0.00 0.24 -0.04 0.27 0.00 0.00 0.00 175.10 175.57 1iwa s ILE 18 N 0.47 0.42 0.43 2.22 -4.36 -1.26 -5.03 121.20 114.09 1iwa s ILE 18 Ca 0.50 -1.87 -0.25 0.00 -0.26 0.00 0.00 60.65 58.77 1iwa s ILE 18 Cb -0.23 -1.64 -0.08 0.00 1.25 0.00 0.00 42.46 41.76 1iwa s ILE 18 CO 0.29 -0.90 1.22 -2.16 0.24 0.00 0.00 174.94 173.64 1iwa s PRO 19 N -3.89 3.89 0.44 0.37 0.04 -1.26 -4.89 135.00 129.70 1iwa s PRO 19 Ca 0.11 1.94 0.12 0.00 0.04 0.00 0.00 61.00 63.21 1iwa s PRO 19 Cb 0.07 -2.60 1.03 0.00 0.04 0.00 0.00 34.50 33.03 1iwa s PRO 19 CO -0.07 -0.49 2.03 1.88 0.04 0.00 0.00 177.00 180.40 1iwa h TYR 20 N 2.42 0.38 0.00 0.56 0.05 -1.91 0.12 116.97 118.59 1iwa h TYR 20 Ca -0.49 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1iwa h TYR 20 Cb 1.25 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1iwa h TYR 20 CO 0.53 0.21 0.00 0.00 -1.05 0.00 0.00 178.16 177.85 1iwa n ALA 21 N -2.51 1.46 -0.01 3.88 0.00 -1.26 -2.00 120.51 120.06 1iwa n ALA 21 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1iwa n ALA 21 Cb 0.24 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1iwa n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iwa n LYS 22 N -1.41 0.74 0.00 0.00 4.01 0.37 -4.42 118.16 117.45 1iwa n LYS 22 Ca 0.03 -0.08 0.10 0.00 -0.51 0.00 0.00 58.31 57.85 1iwa n LYS 22 Cb 0.08 -1.24 0.57 0.00 -0.51 0.00 0.00 35.03 33.93 1iwa n LYS 22 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1iwa n MET 22 N -1.96 0.77 0.00 1.97 2.81 -0.85 -4.81 117.12 115.06 1iwa n MET 22 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1iwa n MET 22 Cb 0.38 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 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 0.49 1.09 0.89 3.03 0.00 -1.24 -5.00 105.19 104.45 1iwa n GLY 23 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.72 0.21 -3.82 1.61 4.01 -1.16 -4.78 117.16 111.51 1iwa n TYR 24 Ca 0.00 -0.10 -0.29 0.00 -0.16 0.00 0.00 57.90 57.34 1iwa n TYR 24 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.79 1.88 -0.43 -0.72 -0.11 -1.26 -1.47 118.94 115.03 1iwa s TRP 25 Ca 0.34 -1.58 0.02 0.00 1.22 0.00 0.00 56.10 56.10 1iwa s TRP 25 Cb 0.21 -1.56 0.15 0.00 -1.50 0.00 0.00 33.47 30.77 1iwa s TRP 25 CO 0.30 -0.77 0.28 1.21 -4.62 0.00 0.00 176.95 173.35 1iwa s ASN 26 N 1.56 3.08 0.00 5.86 3.84 -0.82 -4.96 114.94 123.51 1iwa s ASN 26 Ca 0.02 -2.71 0.00 0.00 0.21 0.00 0.00 52.86 50.38 1iwa s ASN 26 Cb -0.18 -0.78 0.02 0.00 -0.55 0.00 0.00 41.25 39.76 1iwa s ASN 26 CO -0.13 -0.24 0.93 -0.81 -2.79 0.00 0.00 177.10 174.07 1iwa n PRO 27 N 3.38 0.00 -0.07 0.43 -0.04 -1.26 -0.76 135.00 136.68 1iwa n PRO 27 Ca 0.15 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 64.11 1iwa n PRO 27 Cb 0.38 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.45 1iwa n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iwa n ASP 28 N -1.42 2.56 -4.68 3.54 10.43 -1.26 -4.92 116.55 120.80 1iwa n ASP 28 Ca 0.00 -1.74 -0.45 0.00 2.57 0.00 0.00 54.79 55.17 1iwa n ASP 28 Cb 0.00 -0.10 -0.03 0.00 1.84 0.00 0.00 41.12 42.84 1iwa n ASP 28 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iwa n TYR 29 N 0.86 2.20 -3.43 1.24 9.36 0.06 -4.94 117.16 122.52 1iwa n TYR 29 Ca 0.11 0.43 -0.44 0.00 3.32 0.00 0.00 57.90 61.32 1iwa n TYR 29 Cb 0.41 -2.46 -0.08 0.00 -0.63 0.00 0.00 39.34 36.57 1iwa n TYR 29 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1iwa s GLN 30 N -0.46 2.94 0.32 2.98 -1.52 -1.26 -5.04 119.66 117.62 1iwa s GLN 30 Ca 0.67 -1.28 -0.29 0.00 -1.95 0.00 0.00 55.36 52.52 1iwa s GLN 30 Cb -0.64 -4.06 -0.12 0.00 -0.22 0.00 0.00 33.01 27.98 1iwa s GLN 30 CO 0.50 -0.95 1.49 0.28 -0.25 0.00 0.00 175.29 176.36 1iwa n VAL 31 N 5.16 1.49 -3.99 1.09 0.31 -1.26 -5.01 118.33 116.12 1iwa n VAL 31 Ca -0.12 -0.37 -0.23 0.00 -0.01 0.00 0.00 64.34 63.61 1iwa n VAL 31 Cb 0.44 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 1iwa n VAL 31 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1iwa s LYS 32 N -1.23 3.33 0.00 5.55 1.02 -1.26 -4.99 119.74 122.15 1iwa s LYS 32 Ca 0.60 -0.75 0.20 0.00 0.02 0.00 0.00 55.97 56.03 1iwa s LYS 32 Cb -0.52 -2.85 0.97 0.00 -0.52 0.00 0.00 37.83 34.91 1iwa s LYS 32 CO 0.56 0.46 1.62 -0.25 -0.92 0.00 0.00 175.35 176.82 1iwa n ASP 33 N -1.00 0.00 -0.40 2.83 10.43 -1.26 -2.22 116.55 124.93 1iwa n ASP 33 Ca -0.08 0.07 0.09 0.00 2.57 0.00 0.00 54.79 57.43 1iwa n ASP 33 Cb 0.56 -0.31 -0.00 0.00 1.84 0.00 0.00 41.12 43.20 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 -1.31 0.00 -2.47 -3.53 -2.24 -1.26 -4.34 114.28 99.12 1iwa n THR 34 Ca 0.09 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1iwa n THR 34 Cb 0.17 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.08 6.29 -0.26 3.42 1.01 -0.94 -3.71 116.67 120.39 1iwa s ASP 35 Ca 0.15 1.89 -0.12 0.00 0.71 0.00 0.00 52.55 55.17 1iwa s ASP 35 Cb 0.15 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1iwa s ASP 35 CO 0.46 -0.82 0.25 -0.69 0.21 0.00 0.00 175.17 174.58 1iwa s VAL 36 N -2.08 5.28 0.04 -1.27 1.01 0.45 -3.91 120.40 119.92 1iwa s VAL 36 Ca 0.66 0.33 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1iwa s VAL 36 Cb -0.16 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1iwa s VAL 36 CO 0.23 0.26 0.05 -0.76 0.00 0.00 0.00 175.10 174.87 1iwa s LEU 37 N 1.57 3.69 -0.01 3.92 1.43 -0.50 -0.84 118.68 127.95 1iwa s LEU 37 Ca 0.11 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1iwa s LEU 37 Cb -0.15 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1iwa s LEU 37 CO 0.08 0.22 -0.02 0.00 0.23 0.00 0.00 176.35 176.87 1iwa s ALA 38 N -1.25 0.23 -0.22 4.21 0.00 -0.67 -0.06 121.76 124.00 1iwa s ALA 38 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1iwa s ALA 38 Cb -0.12 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1iwa s ALA 38 CO 0.16 0.03 -0.08 -1.17 0.00 0.00 0.00 175.76 174.70 1iwa s LEU 39 N 0.14 2.85 0.06 0.00 2.96 0.78 -1.24 118.68 124.24 1iwa s LEU 39 Ca -0.01 -0.64 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1iwa s LEU 39 Cb -0.03 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1iwa s LEU 39 CO -0.00 -0.06 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.57 1iwa s PHE 40 N 1.38 2.92 -0.50 5.38 0.08 -0.76 -0.38 117.98 126.10 1iwa s PHE 40 Ca 0.03 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.91 1iwa s PHE 40 Cb -0.15 -1.55 0.12 0.00 -0.57 0.00 0.00 43.02 40.87 1iwa s PHE 40 CO -0.06 0.44 0.42 0.50 -0.10 0.00 0.00 175.22 176.42 1iwa s ARG 41 N -2.00 2.75 -0.11 0.44 3.52 0.05 -1.27 118.95 122.33 1iwa s ARG 41 Ca 0.22 -1.70 -0.14 0.00 -0.13 0.00 0.00 55.73 53.98 1iwa s ARG 41 Cb -0.11 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 1iwa s ARG 41 CO 0.14 -1.24 0.33 0.08 -0.81 0.00 0.00 175.30 173.81 1iwa s VAL 42 N 1.49 5.24 -0.50 7.11 1.01 0.18 -2.09 120.40 132.84 1iwa s VAL 42 Ca 0.04 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1iwa s VAL 42 Cb -0.28 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.58 1iwa s VAL 42 CO 0.02 0.46 0.26 -0.89 0.00 0.00 0.00 175.10 174.94 1iwa s THR 43 N -0.09 2.21 0.59 3.92 2.01 0.18 -0.14 115.64 124.32 1iwa s THR 43 Ca 0.20 -3.11 -0.18 0.00 0.31 0.00 0.00 61.69 58.90 1iwa s THR 43 Cb -0.14 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1iwa s THR 43 CO 0.07 -0.84 1.13 -2.16 -0.69 0.00 0.00 174.62 172.13 1iwa s PRO 44 N -0.13 3.12 0.47 4.92 0.04 -1.26 -0.99 135.00 141.17 1iwa s PRO 44 Ca 0.18 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 1iwa s PRO 44 Cb -0.24 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1iwa s PRO 44 CO -0.01 -1.03 1.35 -0.65 0.04 0.00 0.00 177.00 176.71 1iwa s GLN 45 N -3.56 3.58 0.29 4.56 -1.52 -0.44 -4.56 119.66 118.00 1iwa s GLN 45 Ca 0.71 2.23 -0.29 0.00 -1.95 0.00 0.00 55.36 56.06 1iwa s GLN 45 Cb -0.23 -2.52 -0.13 0.00 -0.22 0.00 0.00 33.01 29.90 1iwa s GLN 45 CO 0.32 -0.84 1.22 -0.35 -0.25 0.00 0.00 175.29 175.39 1iwa n PRO 46 N -0.42 1.78 0.00 2.91 -0.04 -1.26 -0.70 135.00 137.27 1iwa n PRO 46 Ca 0.07 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 1iwa n PRO 46 Cb 0.44 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 1.33 2.47 3.72 0.55 0.00 -1.26 -5.03 105.19 106.97 1iwa n GLY 47 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.32 5.16 0.08 1.61 1.01 0.13 -5.02 120.40 121.05 1iwa s VAL 48 Ca 0.00 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 1iwa s VAL 48 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1iwa s VAL 48 CO 0.00 0.31 1.83 -0.62 0.00 0.00 0.00 175.10 176.62 1iwa s ASP 49 N 0.66 6.47 0.27 3.32 3.68 -1.26 -4.76 116.67 125.04 1iwa s ASP 49 Ca 0.28 2.66 -0.01 0.00 2.13 0.00 0.00 52.55 57.62 1iwa s ASP 49 Cb -0.16 -2.55 0.56 0.00 -1.45 0.00 0.00 42.92 39.32 1iwa s ASP 49 CO 0.12 -1.00 1.74 1.55 0.13 0.00 0.00 175.17 177.71 1iwa h PRO 50 N 9.20 0.51 -0.57 4.34 0.13 -1.96 0.13 132.00 143.78 1iwa h PRO 50 Ca -0.46 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1iwa h PRO 50 Cb 1.22 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1iwa h PRO 50 CO 0.94 0.34 0.13 0.82 -0.23 0.00 0.00 178.00 180.01 1iwa h ILE 51 N 0.53 1.25 -0.89 -3.56 2.04 -1.99 0.76 117.51 115.64 1iwa h ILE 51 Ca 0.47 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1iwa h ILE 51 Cb 0.74 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1iwa h ILE 51 CO -0.41 0.33 0.54 -0.08 0.00 0.00 0.00 178.15 178.53 1iwa h GLU 52 N 0.81 1.21 0.19 2.37 4.57 -1.58 0.48 114.58 122.63 1iwa h GLU 52 Ca 0.18 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1iwa h GLU 52 Cb 0.35 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1iwa h GLU 52 CO 0.00 0.84 -0.09 0.00 -1.18 0.00 0.00 179.01 178.59 1iwa h ALA 53 N 1.29 -0.25 -0.99 2.92 0.00 -0.21 0.33 119.26 122.35 1iwa h ALA 53 Ca 0.32 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1iwa h ALA 53 Cb -0.05 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1iwa h ALA 53 CO -0.06 -0.62 0.64 0.00 0.00 0.00 0.00 179.25 179.21 1iwa h ALA 54 N 0.50 1.45 -0.27 0.00 0.00 -0.46 -0.95 119.26 119.54 1iwa h ALA 54 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1iwa h ALA 54 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1iwa h ALA 54 CO 0.04 0.37 -0.47 0.00 0.00 0.00 0.00 179.25 179.19 1iwa h ALA 55 N 1.49 0.66 -0.29 0.00 0.00 -0.51 -1.30 119.26 119.30 1iwa h ALA 55 Ca 0.45 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1iwa h ALA 55 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1iwa h ALA 55 CO -0.19 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1iwa h ALA 56 N 0.90 1.40 -0.05 0.00 0.00 0.56 0.67 119.26 122.75 1iwa h ALA 56 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 56 Cb 1.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1iwa h ALA 56 CO 0.10 0.42 -0.04 0.28 0.00 0.00 0.00 179.25 180.01 1iwa h VAL 57 N 0.44 1.36 -0.65 0.00 2.07 -0.96 -0.60 116.25 117.91 1iwa h VAL 57 Ca 0.09 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1iwa h VAL 57 Cb 0.34 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1iwa h VAL 57 CO 0.01 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.33 1iwa h ALA 58 N 0.56 0.82 0.51 1.67 0.00 -0.74 -2.58 119.26 119.50 1iwa h ALA 58 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1iwa h ALA 58 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iwa h ALA 58 CO 0.01 0.26 -0.24 0.78 0.00 0.00 0.00 179.25 180.06 1iwa h GLY 59 N 0.87 -0.71 1.86 0.00 0.00 0.38 -3.22 103.07 102.26 1iwa h GLY 59 Ca 0.23 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1iwa h GLY 59 CO -0.05 -0.26 0.05 1.18 0.00 0.00 0.00 176.54 177.46 1iwa n GLU 60 N -4.25 0.13 -0.61 4.80 -0.58 -0.24 -1.56 120.64 118.32 1iwa n GLU 60 Ca -0.08 0.62 0.08 0.00 -0.42 0.00 0.00 57.16 57.36 1iwa n GLU 60 Cb 0.27 -1.97 0.33 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.20 4.64 0.00 1.62 3.41 -0.97 -4.66 113.62 115.45 1iwa n SER 61 Ca -0.01 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 1iwa n SER 61 Cb 0.08 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 0.43 0.00 0.00 4.04 3.41 -0.60 -4.46 113.62 116.44 1iwa n SER 62 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1iwa n SER 62 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 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 -1.97 0.00 -0.76 6.66 -2.24 -1.16 -4.99 114.28 109.82 1iwa n THR 63 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1iwa n THR 63 Cb 0.00 0.48 0.24 0.00 -2.10 0.00 0.00 70.33 68.94 1iwa n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwa s ALA 64 N 0.00 -0.07 0.07 6.98 0.00 -0.83 -5.03 121.76 122.90 1iwa s ALA 64 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 1iwa s ALA 64 Cb 0.00 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.07 1iwa s ALA 64 CO 0.00 -3.67 0.66 -0.08 0.00 0.00 0.00 175.76 172.67 1iwa s THR 65 N -2.64 0.00 0.09 0.00 -1.32 -1.26 -4.66 115.64 105.85 1iwa s THR 65 Ca 0.68 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.32 1iwa s THR 65 Cb -0.20 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.95 1iwa s THR 65 CO 0.61 0.00 1.42 4.11 -2.21 0.00 0.00 174.62 178.56 1iwa h TRP 66 N 2.32 0.00 -4.21 9.09 5.08 -1.98 -3.42 115.95 122.83 1iwa h TRP 66 Ca -0.31 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.52 1iwa h TRP 66 Cb 1.25 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.26 1iwa h TRP 66 CO 0.28 0.00 -0.68 -0.08 -1.28 0.00 0.00 178.44 176.68 1iwa s THR 67 N -3.46 0.27 0.36 0.12 -1.32 -1.26 -4.64 115.64 105.71 1iwa s THR 67 Ca -0.02 -1.85 -0.26 0.00 -1.21 0.00 0.00 61.69 58.36 1iwa s THR 67 Cb 0.05 -1.64 -0.09 0.00 -1.51 0.00 0.00 72.50 69.31 1iwa s THR 67 CO 0.15 -0.88 1.07 -0.69 -2.21 0.00 0.00 174.62 172.06 1iwa s VAL 68 N -3.90 3.61 -0.05 5.08 1.01 -1.23 -5.02 120.40 119.89 1iwa s VAL 68 Ca 0.11 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1iwa s VAL 68 Cb 0.08 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1iwa s VAL 68 CO -0.07 0.12 -0.03 0.68 0.00 0.00 0.00 175.10 175.80 1iwa s VAL 69 N -1.49 0.52 0.41 2.92 -7.23 -1.26 -4.61 120.40 109.65 1iwa s VAL 69 Ca 0.54 -0.06 0.12 0.00 -1.81 0.00 0.00 61.98 60.77 1iwa s VAL 69 Cb -0.26 -0.58 0.15 0.00 0.56 0.00 0.00 36.38 36.26 1iwa s VAL 69 CO 0.32 0.24 1.92 4.11 -0.31 0.00 0.00 175.10 181.39 1iwa h TRP 70 N 7.54 0.07 0.00 2.82 5.08 -1.98 -2.95 115.95 126.53 1iwa h TRP 70 Ca -0.33 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.63 1iwa h TRP 70 Cb 1.14 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1iwa h TRP 70 CO 0.49 0.29 0.33 1.79 -1.28 0.00 0.00 178.44 180.06 1iwa h THR 71 N 0.06 0.00 -0.92 0.12 1.35 -1.96 0.31 112.91 111.88 1iwa h THR 71 Ca 0.01 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.96 1iwa h THR 71 Cb 0.43 0.45 -0.07 0.00 -1.73 0.00 0.00 68.15 67.23 1iwa h THR 71 CO 0.03 0.00 0.59 0.44 -0.25 0.00 0.00 175.52 176.33 1iwa h ASP 72 N 0.00 0.85 0.00 5.36 5.19 -1.90 -0.38 116.42 125.54 1iwa h ASP 72 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1iwa h ASP 72 Cb 0.66 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1iwa h ASP 72 CO 0.00 0.51 0.19 -0.07 -3.12 0.00 0.00 179.24 176.75 1iwa h LEU 73 N 0.94 0.00 -1.02 1.55 4.07 -0.63 0.11 115.31 120.33 1iwa h LEU 73 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1iwa h LEU 73 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1iwa h LEU 73 CO -0.18 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.36 1iwa n LEU 74 N -2.42 1.58 -4.33 1.67 4.77 -0.15 -4.91 117.00 113.21 1iwa n LEU 74 Ca -0.02 -0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 55.24 1iwa n LEU 74 Cb 0.23 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1iwa n LEU 74 CO 0.10 0.28 -0.28 0.42 -1.33 0.00 0.00 177.39 176.58 1iwa s THR 75 N -1.96 0.76 -1.44 -5.08 -4.23 0.37 -5.03 115.64 99.03 1iwa s THR 75 Ca 0.37 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.78 1iwa s THR 75 Cb 0.20 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1iwa s THR 75 CO 0.32 -0.10 2.47 0.00 -0.54 0.00 0.00 174.62 176.77 1iwa n ALA 76 N -0.47 6.61 -0.30 3.99 0.00 -1.26 -4.74 120.51 124.35 1iwa n ALA 76 Ca -0.02 -3.90 0.07 0.00 0.00 0.00 0.00 53.44 49.59 1iwa n ALA 76 Cb 0.66 -3.15 0.23 0.00 0.00 0.00 0.00 19.45 17.18 1iwa n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwa h ALA 77 N 5.18 1.28 0.00 0.00 0.00 -1.96 -0.69 119.26 123.07 1iwa h ALA 77 Ca 0.69 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.68 1iwa h ALA 77 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iwa h ALA 77 CO 1.68 -0.09 0.33 -0.44 0.00 0.00 0.00 179.25 180.73 1iwa h ASP 78 N 0.62 0.00 0.00 0.00 5.19 -1.94 -0.25 116.42 120.04 1iwa h ASP 78 Ca 0.47 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.81 1iwa h ASP 78 Cb 0.66 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 1iwa h ASP 78 CO -0.36 0.00 -1.62 -0.11 -3.12 0.00 0.00 179.24 174.03 1iwa n LEU 79 N -2.61 0.00 0.08 1.55 -0.00 -0.30 -4.58 117.00 111.14 1iwa n LEU 79 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.03 1iwa n LEU 79 Cb 0.36 0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 43.85 1iwa n LEU 79 CO 0.11 0.09 0.02 1.88 -0.00 0.00 0.00 177.39 179.48 1iwa h TYR 80 N 0.00 0.00 -3.08 1.96 0.05 -0.66 -3.42 116.97 111.82 1iwa h TYR 80 Ca -0.10 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.15 1iwa h TYR 80 Cb 0.91 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.66 1iwa h TYR 80 CO 0.00 0.39 0.66 1.03 -1.05 0.00 0.00 178.16 179.19 1iwa s ARG 81 N -3.05 4.37 0.62 4.88 0.52 -0.40 -4.65 118.95 121.24 1iwa s ARG 81 Ca -0.00 1.93 -0.14 0.00 -0.52 0.00 0.00 55.73 57.00 1iwa s ARG 81 Cb 0.08 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 1iwa s ARG 81 CO 0.78 -0.37 1.05 0.00 0.02 0.00 0.00 175.30 176.78 1iwa s ALA 82 N 1.20 2.75 -0.04 2.13 0.00 -1.26 -4.87 121.76 121.67 1iwa s ALA 82 Ca 0.62 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1iwa s ALA 82 Cb -0.33 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1iwa s ALA 82 CO 0.29 -0.92 0.01 -1.59 0.00 0.00 0.00 175.76 173.56 1iwa s LYS 83 N -4.43 0.30 -0.13 0.00 0.00 -0.84 -4.48 119.74 110.16 1iwa s LYS 83 Ca 0.61 0.12 -0.29 0.00 0.00 0.00 0.00 55.97 56.40 1iwa s LYS 83 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 37.83 37.11 1iwa s LYS 83 CO 0.43 -0.18 1.12 0.00 0.00 0.00 0.00 175.35 176.71 1iwa s ALA 84 N 1.30 3.54 -0.84 0.59 0.00 -0.54 -1.16 121.76 124.64 1iwa s ALA 84 Ca -0.06 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1iwa s ALA 84 Cb -0.13 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1iwa s ALA 84 CO -0.02 -0.85 0.62 2.48 0.00 0.00 0.00 175.76 178.00 1iwa n TYR 85 N 5.62 0.00 -3.65 0.00 4.11 -0.18 -1.93 117.16 121.13 1iwa n TYR 85 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.88 1iwa n TYR 85 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.73 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 -1.04 0.75 -0.09 -3.48 2.20 -1.22 -4.39 119.74 112.47 1iwa s LYS 86 Ca 0.08 0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 56.59 1iwa s LYS 86 Cb 0.07 0.34 0.05 0.00 -1.51 0.00 0.00 37.83 36.78 1iwa s LYS 86 CO 0.17 -0.10 0.19 0.08 -0.36 0.00 0.00 175.35 175.33 1iwa s VAL 87 N 0.48 -0.25 0.08 4.02 1.01 -1.26 -0.52 120.40 123.97 1iwa s VAL 87 Ca -0.01 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1iwa s VAL 87 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1iwa s VAL 87 CO -0.01 0.12 -0.09 -1.81 0.00 0.00 0.00 175.10 173.31 1iwa s ASP 88 N 2.09 1.29 0.26 3.32 -0.00 -0.14 -4.95 116.67 118.53 1iwa s ASP 88 Ca 0.00 -0.78 -0.29 0.00 -0.00 0.00 0.00 52.55 51.48 1iwa s ASP 88 Cb -0.12 0.03 -0.09 0.00 -0.00 0.00 0.00 42.92 42.74 1iwa s ASP 88 CO -0.07 -0.27 0.95 -1.58 -0.00 0.00 0.00 175.17 174.19 1iwa s GLN 89 N -2.66 4.80 0.15 8.23 0.74 -1.26 0.72 119.66 130.37 1iwa s GLN 89 Ca 0.03 1.47 -0.31 0.00 0.05 0.00 0.00 55.36 56.59 1iwa s GLN 89 Cb -0.03 -3.18 -0.09 0.00 1.10 0.00 0.00 33.01 30.81 1iwa s GLN 89 CO -0.01 0.46 1.49 0.08 -0.55 0.00 0.00 175.29 176.76 1iwa s VAL 90 N -1.27 2.91 0.03 1.34 1.01 0.01 -4.79 120.40 119.65 1iwa s VAL 90 Ca 0.43 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1iwa s VAL 90 Cb -0.25 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1iwa s VAL 90 CO 0.31 0.05 0.24 -2.65 0.00 0.00 0.00 175.10 173.05 1iwa n PRO 91 N 3.89 -0.06 -1.87 2.72 -0.02 -1.26 -2.08 135.00 136.32 1iwa n PRO 91 Ca 0.13 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1iwa n PRO 91 Cb 0.40 -0.35 0.06 0.00 -0.02 0.00 0.00 33.50 33.60 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 -4.21 3.39 -3.27 2.55 5.03 -1.26 -4.90 115.26 112.59 1iwa n ASN 92 Ca 0.01 -3.32 -0.14 0.00 0.87 0.00 0.00 54.58 52.00 1iwa n ASN 92 Cb 0.05 -0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 38.35 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 -3.46 0.44 0.00 6.41 3.84 -0.88 -4.99 114.94 116.30 1iwa s ASN 93 Ca 0.43 -1.65 0.00 0.00 0.21 0.00 0.00 52.86 51.85 1iwa s ASN 93 Cb 0.38 0.84 0.00 0.00 -0.55 0.00 0.00 41.25 41.92 1iwa s ASN 93 CO -0.01 -0.21 0.24 -0.81 -2.79 0.00 0.00 177.10 173.52 1iwa n PRO 94 N 3.95 0.00 -0.01 0.43 -0.04 -1.26 -0.83 135.00 137.24 1iwa n PRO 94 Ca 0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1iwa n PRO 94 Cb 0.49 -1.28 -0.16 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.71 0.53 -4.29 0.54 1.02 -1.26 -4.97 120.64 111.49 1iwa n GLU 95 Ca 0.00 -0.16 -0.30 0.00 -0.02 0.00 0.00 57.16 56.68 1iwa n GLU 95 Cb 0.00 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.41 2.20 0.00 3.49 -0.21 -0.01 -4.14 119.66 117.58 1iwa s GLN 96 Ca -0.05 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.37 1iwa s GLN 96 Cb 0.14 -2.33 -0.00 0.00 1.00 0.00 0.00 33.01 31.82 1iwa s GLN 96 CO 0.90 0.52 -0.02 0.71 -2.12 0.00 0.00 175.29 175.28 1iwa s TYR 97 N -1.17 0.21 -0.31 0.91 1.51 0.80 -0.81 117.35 118.50 1iwa s TYR 97 Ca 0.20 -0.11 -0.16 0.00 -1.01 0.00 0.00 57.07 56.00 1iwa s TYR 97 Cb -0.11 -0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.58 1iwa s TYR 97 CO 0.12 -0.03 0.40 -0.06 -1.11 0.00 0.00 175.55 174.88 1iwa s PHE 98 N -0.27 3.22 -0.13 2.71 0.08 0.22 0.51 117.98 124.32 1iwa s PHE 98 Ca -0.02 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.29 1iwa s PHE 98 Cb -0.02 -2.68 -0.00 0.00 -0.57 0.00 0.00 43.02 39.75 1iwa s PHE 98 CO -0.00 -0.35 -0.18 0.00 -0.10 0.00 0.00 175.22 174.59 1iwa s ALA 99 N 2.13 2.41 -0.17 5.36 0.00 -0.40 -0.96 121.76 130.13 1iwa s ALA 99 Ca 0.15 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1iwa s ALA 99 Cb -0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1iwa s ALA 99 CO 0.11 0.16 0.29 0.71 0.00 0.00 0.00 175.76 177.03 1iwa s TYR 100 N 0.51 3.45 -0.00 0.00 1.51 0.32 -1.82 117.35 121.32 1iwa s TYR 100 Ca -0.12 0.58 0.06 0.00 -1.01 0.00 0.00 57.07 56.58 1iwa s TYR 100 Cb -0.16 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.33 1iwa s TYR 100 CO 0.05 0.22 -0.17 0.42 -1.11 0.00 0.00 175.55 174.95 1iwa s ILE 101 N 0.52 1.38 -0.10 2.71 1.01 -0.37 -1.01 121.20 125.33 1iwa s ILE 101 Ca 0.16 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1iwa s ILE 101 Cb -0.13 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1iwa s ILE 101 CO 0.04 0.33 -0.06 0.00 0.00 0.00 0.00 174.94 175.25 1iwa s ALA 102 N -0.49 2.96 -0.07 9.38 0.00 -0.31 -1.67 121.76 131.56 1iwa s ALA 102 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1iwa s ALA 102 Cb -0.07 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1iwa s ALA 102 CO -0.00 0.43 -0.20 0.71 0.00 0.00 0.00 175.76 176.70 1iwa s TYR 103 N -0.32 2.04 0.35 0.00 1.51 -0.02 -1.98 117.35 118.93 1iwa s TYR 103 Ca 0.05 -0.70 -0.28 0.00 -1.01 0.00 0.00 57.07 55.13 1iwa s TYR 103 Cb -0.13 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.25 1iwa s TYR 103 CO 0.02 -0.27 1.27 -2.00 -1.11 0.00 0.00 175.55 173.47 1iwa s GLU 104 N 0.20 4.25 0.23 -0.62 2.56 -1.26 -0.41 118.70 123.64 1iwa s GLU 104 Ca -0.10 2.11 -0.07 0.00 0.00 0.00 0.00 54.97 56.92 1iwa s GLU 104 Cb -0.15 -2.95 0.34 0.00 2.00 0.00 0.00 34.13 33.38 1iwa s GLU 104 CO 0.05 -0.24 1.77 1.25 -0.56 0.00 0.00 175.26 177.53 1iwa h LEU 105 N 3.15 0.43 -0.55 2.70 6.46 -1.93 -2.35 115.31 123.23 1iwa h LEU 105 Ca -0.49 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1iwa h LEU 105 Cb 1.23 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1iwa h LEU 105 CO 0.64 0.24 0.01 0.47 -0.62 0.00 0.00 178.44 179.19 1iwa n ASP 106 N -4.88 0.21 0.23 1.25 9.92 -1.26 -2.16 116.55 119.87 1iwa n ASP 106 Ca 0.11 0.59 0.12 0.00 -0.53 0.00 0.00 54.79 55.09 1iwa n ASP 106 Cb 0.29 -0.62 0.45 0.00 -0.64 0.00 0.00 41.12 40.60 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 -9.70 0.64 3.38 -1.81 -3.46 115.31 104.37 1iwa h LEU 107 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1iwa h LEU 107 Cb 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1iwa h LEU 107 CO 0.00 0.14 -0.58 -0.36 0.09 0.00 0.00 178.44 177.73 1iwa s PHE 108 N -3.53 3.27 -0.11 1.13 0.08 -0.92 -5.07 117.98 112.83 1iwa s PHE 108 Ca 0.02 0.12 -0.25 0.00 0.12 0.00 0.00 56.93 56.94 1iwa s PHE 108 Cb 0.09 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1iwa s PHE 108 CO 0.62 0.54 0.80 -2.00 -0.10 0.00 0.00 175.22 175.08 1iwa s GLU 109 N -2.39 4.39 0.33 0.44 2.12 -1.26 -5.00 118.70 117.32 1iwa s GLU 109 Ca 0.30 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.37 1iwa s GLU 109 Cb -0.12 -3.51 -0.12 0.00 0.26 0.00 0.00 34.13 30.63 1iwa s GLU 109 CO 0.23 -0.15 1.34 0.39 -0.54 0.00 0.00 175.26 176.54 1iwa n GLU 110 N 4.51 2.20 -1.26 4.30 4.71 -1.26 -2.64 120.64 131.21 1iwa n GLU 110 Ca 0.03 0.77 -0.09 0.00 -0.01 0.00 0.00 57.16 57.86 1iwa n GLU 110 Cb 0.50 -2.39 -0.04 0.00 -1.01 0.00 0.00 31.44 28.50 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 1.02 0.90 3.15 0.62 0.00 -1.24 -4.97 105.19 104.67 1iwa n GLY 111 Ca 0.06 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.39 5.01 0.36 1.61 0.15 -1.08 -4.94 113.70 112.41 1iwa s SER 112 Ca 0.00 -1.54 0.13 0.00 0.70 0.00 0.00 55.95 55.24 1iwa s SER 112 Cb 0.00 -1.75 0.67 0.00 -1.71 0.00 0.00 66.02 63.23 1iwa s SER 112 CO 0.00 -0.35 1.79 0.40 1.20 0.00 0.00 173.24 176.28 1iwa h ILE 113 N 6.43 1.27 -0.63 6.45 1.08 -1.93 -1.82 117.51 128.36 1iwa h ILE 113 Ca -0.18 -1.43 -0.07 0.00 -0.39 0.00 0.00 64.86 62.79 1iwa h ILE 113 Cb 1.06 1.78 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 1iwa h ILE 113 CO 0.58 0.40 0.12 0.00 -0.69 0.00 0.00 178.15 178.57 1iwa h ALA 114 N 1.59 0.84 -0.21 1.87 0.00 -1.92 -0.93 119.26 120.50 1iwa h ALA 114 Ca -0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1iwa h ALA 114 Cb 0.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1iwa h ALA 114 CO 0.05 0.58 -0.67 -0.97 0.00 0.00 0.00 179.25 178.25 1iwa h ASN 115 N 0.95 0.92 0.26 0.00 -0.73 -1.84 0.08 115.58 115.21 1iwa h ASN 115 Ca 0.19 -0.55 -0.01 0.00 1.87 0.00 0.00 56.30 57.81 1iwa h ASN 115 Cb 0.41 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1iwa h ASN 115 CO 0.01 1.34 -0.15 0.25 -0.37 0.00 0.00 177.43 178.51 1iwa h LEU 116 N 0.58 -0.37 -1.01 0.34 5.85 -1.18 -2.65 115.31 116.88 1iwa h LEU 116 Ca -0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1iwa h LEU 116 Cb 1.28 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1iwa h LEU 116 CO 0.14 -0.24 0.20 0.71 -0.34 0.00 0.00 178.44 178.90 1iwa h THR 117 N -0.39 1.23 -0.88 1.05 1.35 -1.19 -2.12 112.91 111.96 1iwa h THR 117 Ca -0.03 -0.77 0.10 0.00 -0.55 0.00 0.00 66.41 65.15 1iwa h THR 117 Cb 0.32 0.55 -0.07 0.00 -1.73 0.00 0.00 68.15 67.21 1iwa h THR 117 CO 0.03 0.30 0.52 0.00 -0.25 0.00 0.00 175.52 176.13 1iwa h ALA 118 N 1.33 1.26 0.18 6.62 0.00 -0.70 0.53 119.26 128.49 1iwa h ALA 118 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1iwa h ALA 118 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iwa h ALA 118 CO -0.01 0.16 -0.09 0.77 0.00 0.00 0.00 179.25 180.09 1iwa h SER 119 N 0.87 -0.20 -0.64 0.00 0.02 -1.22 -1.91 113.55 110.48 1iwa h SER 119 Ca 0.42 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1iwa h SER 119 Cb 0.36 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1iwa h SER 119 CO -0.24 0.31 0.42 0.40 -1.14 0.00 0.00 176.83 176.58 1iwa h ILE 120 N -1.03 1.13 0.00 3.27 1.08 -1.33 -3.29 117.51 117.33 1iwa h ILE 120 Ca -0.02 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1iwa h ILE 120 Cb 0.31 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1iwa h ILE 120 CO 0.04 0.15 -0.06 2.30 -0.69 0.00 0.00 178.15 179.89 1iwa n ILE 121 N -4.45 0.70 -0.10 -0.67 -5.35 0.17 -4.86 119.36 104.79 1iwa n ILE 121 Ca 0.07 -0.76 -0.07 0.00 -0.27 0.00 0.00 62.75 61.72 1iwa n ILE 121 Cb 0.08 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.53 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 0.00 0.47 0.00 3.28 0.00 -1.21 -3.43 103.07 102.18 1iwa h GLY 122 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1iwa h GLY 122 CO 0.00 0.07 -0.36 0.70 0.00 0.00 0.00 176.54 176.95 1iwa n ASN 123 N -4.97 1.52 -0.63 0.19 3.02 -1.26 -4.89 115.26 108.25 1iwa n ASN 123 Ca 0.01 0.00 0.49 0.00 -0.03 0.00 0.00 54.58 55.05 1iwa n ASN 123 Cb 0.10 0.05 0.78 0.00 -0.61 0.00 0.00 39.78 40.10 1iwa n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1iwa h VAL 124 N 0.00 0.03 0.00 2.41 -1.51 -1.83 -0.22 116.25 115.13 1iwa h VAL 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1iwa h VAL 124 Cb 0.36 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 1iwa h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1iwa n PHE 125 N -3.86 0.00 -0.20 5.19 3.01 -1.26 -2.99 117.46 117.34 1iwa n PHE 125 Ca 0.41 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.90 1iwa n PHE 125 Cb 1.91 -0.38 0.08 0.00 -0.01 0.00 0.00 39.48 41.09 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 0.64 3.13 3.65 1.37 0.00 -0.09 -4.88 105.19 109.01 1iwa n GLY 126 Ca 0.08 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.26 2.20 0.25 1.61 5.36 -1.16 -4.92 117.98 120.06 1iwa s PHE 127 Ca 0.13 0.45 -0.05 0.00 -0.96 0.00 0.00 56.93 56.50 1iwa s PHE 127 Cb 0.08 -3.83 0.47 0.00 -0.34 0.00 0.00 43.02 39.40 1iwa s PHE 127 CO 0.06 -3.16 1.65 0.87 -1.46 0.00 0.00 175.22 173.18 1iwa h LYS 128 N 9.48 0.15 0.00 10.12 1.57 -1.94 -1.50 116.57 134.45 1iwa h LYS 128 Ca -0.35 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1iwa h LYS 128 Cb 1.16 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1iwa h LYS 128 CO 0.97 0.10 -0.01 0.00 -0.57 0.00 0.00 179.45 179.94 1iwa h ALA 129 N 1.68 1.16 -2.76 3.86 0.00 -1.99 -3.38 119.26 117.83 1iwa h ALA 129 Ca 0.43 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.62 1iwa h ALA 129 Cb 0.76 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.30 1iwa h ALA 129 CO -0.61 0.01 -0.49 0.08 0.00 0.00 0.00 179.25 178.23 1iwa s VAL 130 N -4.26 4.57 0.37 0.00 1.01 -0.57 -1.33 120.40 120.20 1iwa s VAL 130 Ca -0.05 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1iwa s VAL 130 Cb 0.13 -3.61 0.22 0.00 0.00 0.00 0.00 36.38 33.12 1iwa s VAL 130 CO 0.46 -0.32 1.97 0.50 0.00 0.00 0.00 175.10 177.72 1iwa h LYS 131 N 8.46 0.59 -2.27 2.72 3.64 -1.24 -3.44 116.57 125.03 1iwa h LYS 131 Ca -0.25 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1iwa h LYS 131 Cb 1.10 -0.12 -0.21 0.00 -0.41 0.00 0.00 32.23 32.60 1iwa h LYS 131 CO 0.70 0.48 0.03 0.00 -2.27 0.00 0.00 179.45 178.39 1iwa s ALA 132 N -5.32 -1.50 -0.13 5.00 0.00 -0.86 -5.02 121.76 113.92 1iwa s ALA 132 Ca -0.08 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1iwa s ALA 132 Cb 0.17 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1iwa s ALA 132 CO 0.75 -0.32 0.35 -1.17 0.00 0.00 0.00 175.76 175.37 1iwa s LEU 133 N -0.47 0.60 -0.04 0.00 2.96 -1.23 -0.64 118.68 119.85 1iwa s LEU 133 Ca -0.06 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1iwa s LEU 133 Cb -0.03 1.18 0.03 0.00 0.50 0.00 0.00 46.19 47.87 1iwa s LEU 133 CO 0.05 -0.13 0.07 -0.60 -1.32 0.00 0.00 176.35 174.42 1iwa s ARG 134 N 0.35 -0.05 -0.48 1.98 3.52 -0.89 -1.26 118.95 122.12 1iwa s ARG 134 Ca -0.01 0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 55.65 1iwa s ARG 134 Cb -0.03 -0.39 0.02 0.00 -1.56 0.00 0.00 34.95 32.98 1iwa s ARG 134 CO -0.01 -0.28 1.36 -1.17 -0.81 0.00 0.00 175.30 174.39 1iwa s LEU 135 N 1.84 3.52 -0.04 -0.88 2.96 -0.15 -0.77 118.68 125.16 1iwa s LEU 135 Ca 0.00 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 1iwa s LEU 135 Cb -0.12 -3.36 -0.28 0.00 0.50 0.00 0.00 46.19 42.93 1iwa s LEU 135 CO -0.04 -1.50 0.67 -0.33 -1.32 0.00 0.00 176.35 173.84 1iwa h GLU 136 N 10.53 0.26 -2.49 1.98 4.39 -1.03 -0.49 114.58 127.72 1iwa h GLU 136 Ca -0.26 -0.45 0.10 0.00 0.34 0.00 0.00 59.36 59.08 1iwa h GLU 136 Cb 1.09 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 1iwa h GLU 136 CO 1.13 1.12 0.42 0.34 -1.16 0.00 0.00 179.01 180.86 1iwa s ASP 137 N -6.97 -0.35 0.01 1.42 2.15 -1.12 -4.58 116.67 107.21 1iwa s ASP 137 Ca -0.13 -0.14 -0.05 0.00 0.43 0.00 0.00 52.55 52.66 1iwa s ASP 137 Cb 0.07 0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 43.16 1iwa s ASP 137 CO 0.83 -0.81 0.08 -0.04 -0.17 0.00 0.00 175.17 175.06 1iwa s MET 138 N -3.34 0.43 -0.40 4.34 -1.94 -1.26 -0.15 119.30 116.98 1iwa s MET 138 Ca 0.06 -0.47 -0.02 0.00 -1.71 0.00 0.00 55.69 53.56 1iwa s MET 138 Cb -0.01 0.17 0.11 0.00 2.01 0.00 0.00 34.83 37.10 1iwa s MET 138 CO -0.06 -0.09 0.18 0.50 -0.01 0.00 0.00 175.02 175.53 1iwa s ARG 139 N -1.41 1.97 -0.24 2.03 3.00 0.91 -4.91 118.95 120.31 1iwa s ARG 139 Ca -0.15 -1.80 -0.25 0.00 -1.00 0.00 0.00 55.73 52.53 1iwa s ARG 139 Cb -0.08 -3.53 -0.01 0.00 0.00 0.00 0.00 34.95 31.34 1iwa s ARG 139 CO 0.01 -1.04 0.83 -0.51 0.00 0.00 0.00 175.30 174.59 1iwa s LEU 140 N 1.12 4.09 0.58 -0.88 1.43 -1.26 -1.41 118.68 122.35 1iwa s LEU 140 Ca 0.08 1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 1iwa s LEU 140 Cb -0.22 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1iwa s LEU 140 CO -0.04 -0.51 1.35 -2.16 0.23 0.00 0.00 176.35 175.22 1iwa s PRO 141 N 2.80 2.96 0.23 1.29 0.04 -1.25 -4.79 135.00 136.27 1iwa s PRO 141 Ca 0.35 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.55 1iwa s PRO 141 Cb -0.15 -2.15 0.33 0.00 0.04 0.00 0.00 34.50 32.57 1iwa s PRO 141 CO 0.08 -1.33 1.80 1.25 0.04 0.00 0.00 177.00 178.84 1iwa h LEU 142 N 1.20 0.58 -1.88 -3.56 5.85 -1.88 0.12 115.31 115.73 1iwa h LEU 142 Ca -0.51 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1iwa h LEU 142 Cb 1.31 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1iwa h LEU 142 CO 0.56 0.34 -0.08 0.00 -0.34 0.00 0.00 178.44 178.92 1iwa h ALA 143 N 1.42 1.12 0.09 1.25 0.00 -1.91 -2.52 119.26 118.70 1iwa h ALA 143 Ca 0.36 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.86 1iwa h ALA 143 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1iwa h ALA 143 CO -0.24 0.10 -1.81 -0.92 0.00 0.00 0.00 179.25 176.38 1iwa h TYR 144 N 0.00 0.34 0.00 0.00 3.20 -1.45 -3.35 116.97 115.70 1iwa h TYR 144 Ca -0.00 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 1iwa h TYR 144 Cb 0.38 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1iwa h TYR 144 CO 0.00 1.46 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.81 1iwa h LEU 145 N 0.05 0.00 -0.91 2.82 4.07 -0.43 -2.23 115.31 118.68 1iwa h LEU 145 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1iwa h LEU 145 Cb 2.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.77 1iwa h LEU 145 CO 0.10 0.10 0.00 0.11 -1.08 0.00 0.00 178.44 177.68 1iwa h LYS 146 N 0.00 0.00 -0.00 1.13 1.79 -1.60 -2.54 116.57 115.35 1iwa h LYS 146 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1iwa h LYS 146 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1iwa h LYS 146 CO 0.01 0.00 -0.06 0.25 -1.08 0.00 0.00 179.45 178.58 1iwa n THR 147 N -2.81 0.00 -4.02 -0.16 -2.24 -0.84 -4.82 114.28 99.39 1iwa n THR 147 Ca 0.02 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 1iwa n THR 147 Cb 0.33 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.56 3.27 0.00 4.78 0.40 -0.96 -3.68 117.98 119.23 1iwa s PHE 148 Ca 0.28 0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 56.47 1iwa s PHE 148 Cb 0.20 -1.61 -0.20 0.00 0.51 0.00 0.00 43.02 41.92 1iwa s PHE 148 CO 0.48 0.53 1.18 0.37 0.70 0.00 0.00 175.22 178.47 1iwa h GLN 149 N 2.78 0.31 0.00 0.44 4.15 -1.86 -3.50 115.11 117.43 1iwa h GLN 149 Ca -0.47 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 58.70 1iwa h GLN 149 Cb 1.18 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1iwa h GLN 149 CO 0.67 0.89 0.00 0.41 -1.93 0.00 0.00 178.83 178.87 1iwa n GLY 150 N 0.70 -0.74 3.56 2.39 0.00 -0.98 -4.79 105.19 105.33 1iwa n GLY 150 Ca -0.08 -1.70 -0.57 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.82 0.48 -0.24 1.61 -0.02 -1.21 -3.80 135.00 131.01 1iwa n PRO 151 Ca 0.00 0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.64 1iwa n PRO 151 Cb 0.00 -1.74 0.10 0.00 -0.02 0.00 0.00 33.50 31.84 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 3.95 0.92 0.00 3.55 0.00 -0.95 -3.36 119.26 123.36 1iwa h ALA 152 Ca -0.49 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1iwa h ALA 152 Cb 1.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1iwa h ALA 152 CO 0.74 0.08 -1.74 2.41 0.00 0.00 0.00 179.25 180.74 1iwa n THR 153 N -4.76 1.12 0.00 0.00 -1.04 -1.26 -4.65 114.28 103.68 1iwa n THR 153 Ca 0.09 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1iwa n THR 153 Cb 0.16 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 1.89 -1.87 0.24 3.41 0.00 -1.26 -4.27 105.19 103.33 1iwa n GLY 154 Ca -0.31 -1.34 0.02 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 0.61 0.74 1.61 2.07 -1.73 -0.34 116.25 119.21 1iwa h VAL 155 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1iwa h VAL 155 Cb 0.00 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1iwa h VAL 155 CO 0.00 0.05 -0.35 0.40 0.02 0.00 0.00 177.57 177.68 1iwa h ILE 156 N 0.25 0.00 -0.54 4.57 1.08 -1.88 -1.10 117.51 119.90 1iwa h ILE 156 Ca 0.33 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.88 1iwa h ILE 156 Cb 0.51 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1iwa h ILE 156 CO -0.43 0.00 0.37 0.25 -0.69 0.00 0.00 178.15 177.65 1iwa h LEU 157 N -1.01 0.29 -0.26 1.44 5.85 -1.72 -1.33 115.31 118.56 1iwa h LEU 157 Ca -0.10 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1iwa h LEU 157 Cb 0.76 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1iwa h LEU 157 CO 0.17 0.18 0.08 -0.08 -0.34 0.00 0.00 178.44 178.44 1iwa h GLU 158 N 0.32 0.41 -0.01 1.25 4.81 -0.85 -0.41 114.58 120.10 1iwa h GLU 158 Ca 0.25 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1iwa h GLU 158 Cb 0.56 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1iwa h GLU 158 CO -0.06 0.47 -0.28 0.00 -0.73 0.00 0.00 179.01 178.42 1iwa h ARG 159 N 0.26 0.02 -0.06 1.92 3.08 -0.15 -1.45 114.38 117.99 1iwa h ARG 159 Ca 0.08 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1iwa h ARG 159 Cb 0.24 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1iwa h ARG 159 CO -0.00 0.29 -0.61 0.93 -1.07 0.00 0.00 179.97 179.51 1iwa h GLU 160 N 0.02 0.20 0.00 0.04 5.08 -0.73 0.79 114.58 119.97 1iwa h GLU 160 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1iwa h GLU 160 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1iwa h GLU 160 CO 0.04 0.74 -0.03 0.00 -1.00 0.00 0.00 179.01 178.77 1iwa h ARG 161 N 0.15 0.00 0.00 2.33 3.08 -0.56 -3.23 114.38 116.15 1iwa h ARG 161 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1iwa h ARG 161 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1iwa h ARG 161 CO 0.09 0.00 -1.92 1.28 -1.07 0.00 0.00 179.97 178.36 1iwa n LEU 162 N -2.89 0.22 -2.91 3.04 4.77 -0.60 -4.98 117.00 113.66 1iwa n LEU 162 Ca 0.04 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 1iwa n LEU 162 Cb 0.51 0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.80 1iwa n LEU 162 CO 0.33 0.14 0.15 -0.67 -1.33 0.00 0.00 177.39 176.01 1iwa n ASP 163 N -2.53 -4.05 -3.69 -1.43 4.64 0.27 -4.44 116.55 105.32 1iwa n ASP 163 Ca -0.12 -0.45 -0.27 0.00 -1.38 0.00 0.00 54.79 52.57 1iwa n ASP 163 Cb 0.77 -4.07 -0.17 0.00 -1.04 0.00 0.00 41.12 36.61 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 -5.64 0.46 0.30 -0.67 1.02 -1.01 -5.03 119.74 109.17 1iwa s LYS 164 Ca 0.27 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.96 1iwa s LYS 164 Cb -0.12 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1iwa s LYS 164 CO 0.57 -0.67 0.07 -0.06 -0.92 0.00 0.00 175.35 174.34 1iwa s PHE 165 N 1.95 1.83 0.00 3.18 0.40 -1.26 -4.72 117.98 119.36 1iwa s PHE 165 Ca 0.00 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 1iwa s PHE 165 Cb -0.17 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1iwa s PHE 165 CO -0.09 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.15 1iwa n GLY 166 N -0.61 0.26 3.47 4.36 0.00 -1.26 -4.97 105.19 106.44 1iwa n GLY 166 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.02 1.04 0.89 1.61 1.70 -1.26 -5.04 118.95 116.87 1iwa s ARG 167 Ca 0.00 0.11 -0.11 0.00 -0.47 0.00 0.00 55.73 55.25 1iwa s ARG 167 Cb 0.00 0.49 0.11 0.00 -0.57 0.00 0.00 34.95 34.98 1iwa s ARG 167 CO 0.00 -0.34 1.03 -2.30 -1.08 0.00 0.00 175.30 172.61 1iwa n PRO 168 N 0.77 -0.26 -3.29 3.89 -0.02 -1.08 -4.88 135.00 130.13 1iwa n PRO 168 Ca -0.19 -0.01 -0.24 0.00 -2.02 0.00 0.00 63.50 61.05 1iwa n PRO 168 Cb 0.58 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1iwa n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iwa s LEU 169 N -5.37 3.94 -0.09 2.45 1.43 0.22 -4.91 118.68 116.34 1iwa s LEU 169 Ca 0.67 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1iwa s LEU 169 Cb -0.25 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1iwa s LEU 169 CO 0.58 -0.38 -0.23 -0.76 0.23 0.00 0.00 176.35 175.79 1iwa s LEU 170 N -4.37 2.04 0.38 1.79 1.43 -1.26 0.68 118.68 119.37 1iwa s LEU 170 Ca 0.42 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1iwa s LEU 170 Cb -0.10 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1iwa s LEU 170 CO 0.36 0.15 0.18 -0.83 0.23 0.00 0.00 176.35 176.44 1iwa s GLY 171 N 0.36 2.51 -0.29 -3.19 0.00 0.18 -0.44 107.32 106.46 1iwa s GLY 171 Ca -0.18 -1.49 -0.14 0.00 0.00 0.00 0.00 44.72 42.91 1iwa s GLY 171 CO 0.08 -1.71 0.68 0.00 0.00 0.00 0.00 173.10 172.16 1iwa s THR 173 N 2.14 5.01 0.28 0.00 2.01 -1.26 -0.69 115.64 123.12 1iwa s THR 173 Ca -0.08 1.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1iwa s THR 173 Cb -0.08 -3.90 -0.14 0.00 0.01 0.00 0.00 72.50 68.39 1iwa s THR 173 CO -0.19 0.03 1.11 0.41 -0.69 0.00 0.00 174.62 175.29 1iwa n THR 174 N 5.20 1.75 -4.06 -0.82 -1.04 -0.92 -4.60 114.28 109.79 1iwa n THR 174 Ca -0.02 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.05 61.42 1iwa n THR 174 Cb 0.49 -1.12 -0.12 0.00 -1.82 0.00 0.00 70.33 67.77 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 -1.34 0.47 0.83 -2.82 -0.14 -1.26 -4.19 119.74 111.29 1iwa s LYS 175 Ca 0.61 -0.62 -0.13 0.00 -1.36 0.00 0.00 55.97 54.47 1iwa s LYS 175 Cb -0.69 -0.25 0.08 0.00 -1.68 0.00 0.00 37.83 35.28 1iwa s LYS 175 CO 0.58 0.05 1.06 -0.35 -0.76 0.00 0.00 175.35 175.93 1iwa n PRO 176 N 1.79 0.06 -0.20 -1.68 -0.04 -1.26 -5.07 135.00 128.59 1iwa n PRO 176 Ca -0.21 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1iwa n PRO 176 Cb 0.55 -2.32 0.11 0.00 -0.04 0.00 0.00 33.50 31.81 1iwa n PRO 176 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1iwa h LYS 177 N -1.06 0.29 -5.06 0.54 1.57 -1.96 -3.44 116.57 107.45 1iwa h LYS 177 Ca -0.45 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 57.94 1iwa h LYS 177 Cb 1.30 -0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 1iwa h LYS 177 CO 0.44 0.19 -0.66 -0.51 -0.57 0.00 0.00 179.45 178.34 1iwa s LEU 178 N -10.49 2.18 0.00 2.94 1.43 -1.26 -4.64 118.68 108.83 1iwa s LEU 178 Ca -0.13 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 1iwa s LEU 178 Cb 0.18 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 46.15 1iwa s LEU 178 CO 0.74 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1iwa n GLY 179 N -0.40 2.44 3.75 -3.19 0.00 -1.26 -5.08 105.19 101.44 1iwa n GLY 179 Ca -0.05 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 3.18 0.53 0.99 1.43 -1.26 -4.92 118.68 118.63 1iwa s LEU 180 Ca 0.00 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 1iwa s LEU 180 Cb 0.00 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.72 1iwa s LEU 180 CO 0.00 -2.02 0.73 -0.94 0.23 0.00 0.00 176.35 174.35 1iwa s SER 181 N -2.84 5.26 0.06 2.29 1.04 -1.26 -4.51 113.70 113.74 1iwa s SER 181 Ca 0.65 -0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.50 1iwa s SER 181 Cb -0.20 -0.51 -0.17 0.00 0.10 0.00 0.00 66.02 65.23 1iwa s SER 181 CO 0.49 -1.13 1.58 1.23 0.98 0.00 0.00 173.24 176.39 1iwa h GLY 182 N 0.21 -0.33 0.10 7.32 0.00 -1.91 0.12 103.07 108.57 1iwa h GLY 182 Ca -0.39 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.18 1iwa h GLY 182 CO 0.46 -0.12 0.05 1.70 0.00 0.00 0.00 176.54 178.63 1iwa h LYS 183 N -0.42 0.16 -0.42 4.80 1.63 -1.95 -0.26 116.57 120.11 1iwa h LYS 183 Ca -0.03 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 1iwa h LYS 183 Cb 0.32 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1iwa h LYS 183 CO 0.05 0.11 -0.19 -0.91 -3.45 0.00 0.00 179.45 175.06 1iwa h ASN 184 N 0.16 0.82 -0.98 4.20 2.35 -1.91 -2.75 115.58 117.47 1iwa h ASN 184 Ca 0.30 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1iwa h ASN 184 Cb 0.46 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1iwa h ASN 184 CO -0.45 0.99 0.65 0.22 -1.65 0.00 0.00 177.43 177.19 1iwa h TYR 185 N 0.71 1.21 0.00 1.19 3.20 0.84 -0.91 116.97 123.22 1iwa h TYR 185 Ca 0.11 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1iwa h TYR 185 Cb 0.70 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1iwa h TYR 185 CO 0.04 0.72 -0.35 0.78 -1.64 0.00 0.00 178.16 177.71 1iwa h GLY 186 N 1.26 0.00 0.82 1.82 0.00 -0.84 -2.15 103.07 103.99 1iwa h GLY 186 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1iwa h GLY 186 CO -0.11 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.30 1iwa h ARG 187 N 0.00 -0.10 -0.33 4.80 1.12 -0.91 -1.30 114.38 117.66 1iwa h ARG 187 Ca -0.00 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1iwa h ARG 187 Cb 0.64 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.60 1iwa h ARG 187 CO 0.04 0.09 0.21 0.28 -3.11 0.00 0.00 179.97 177.49 1iwa h VAL 188 N -0.28 1.06 0.02 0.20 2.07 -1.32 -1.87 116.25 116.12 1iwa h VAL 188 Ca -0.01 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1iwa h VAL 188 Cb 0.24 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1iwa h VAL 188 CO 0.02 0.08 -0.19 0.58 0.02 0.00 0.00 177.57 178.08 1iwa h VAL 189 N 0.42 0.56 0.10 2.57 2.07 -1.29 -0.41 116.25 120.27 1iwa h VAL 189 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1iwa h VAL 189 Cb -0.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1iwa h VAL 189 CO -0.04 0.00 -0.20 0.22 0.02 0.00 0.00 177.57 177.57 1iwa h TYR 190 N -0.31 -0.53 -0.17 1.57 3.20 -1.10 -0.47 116.97 119.16 1iwa h TYR 190 Ca 0.05 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1iwa h TYR 190 Cb 0.38 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 1iwa h TYR 190 CO -0.22 -0.29 -0.10 0.93 -1.64 0.00 0.00 178.16 176.83 1iwa h GLU 191 N -0.38 -0.09 -0.39 1.82 4.39 -1.14 -0.82 114.58 117.97 1iwa h GLU 191 Ca 0.03 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1iwa h GLU 191 Cb 0.40 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1iwa h GLU 191 CO -0.12 -0.06 -0.18 0.00 -1.16 0.00 0.00 179.01 177.49 1iwa h ALA 192 N 1.04 0.94 0.51 3.43 0.00 -0.94 -0.43 119.26 123.81 1iwa h ALA 192 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1iwa h ALA 192 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iwa h ALA 192 CO -0.23 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.32 1iwa h LEU 193 N 0.66 -0.58 -2.06 0.00 3.38 -0.86 -2.50 115.31 113.36 1iwa h LEU 193 Ca 0.10 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.11 1iwa h LEU 193 Cb 0.67 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1iwa h LEU 193 CO 0.05 -0.21 0.31 0.50 0.09 0.00 0.00 178.44 179.18 1iwa h LYS 194 N -1.00 0.00 0.00 1.13 3.64 -1.15 -0.26 116.57 118.92 1iwa h LYS 194 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1iwa h LYS 194 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1iwa h LYS 194 CO 0.11 0.00 0.00 0.78 -2.27 0.00 0.00 179.45 178.07 1iwa h GLY 195 N 0.00 0.00 0.00 5.01 0.00 -0.87 -3.47 103.07 103.74 1iwa h GLY 195 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1iwa h GLY 195 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iwa n GLY 196 N 0.13 0.79 3.79 4.60 0.00 -0.11 -1.67 105.19 112.72 1iwa n GLY 196 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 3.65 -0.00 0.99 1.43 -0.96 -4.76 118.68 119.02 1iwa s LEU 197 Ca 0.00 1.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.99 1iwa s LEU 197 Cb 0.00 -4.55 -0.29 0.00 0.03 0.00 0.00 46.19 41.38 1iwa s LEU 197 CO 0.00 -1.11 0.84 0.44 0.23 0.00 0.00 176.35 176.76 1iwa h ASP 198 N 0.90 0.48 -4.58 2.29 3.32 -1.07 -3.42 116.42 114.34 1iwa h ASP 198 Ca -0.48 -0.65 -0.27 0.00 0.02 0.00 0.00 57.03 55.65 1iwa h ASP 198 Cb 1.23 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 1iwa h ASP 198 CO 0.57 1.54 -0.67 -0.36 -1.72 0.00 0.00 179.24 178.60 1iwa s PHE 199 N -2.61 1.15 0.04 4.55 0.08 0.39 -3.44 117.98 118.14 1iwa s PHE 199 Ca -0.10 -1.02 -0.02 0.00 0.12 0.00 0.00 56.93 55.91 1iwa s PHE 199 Cb 0.06 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.83 1iwa s PHE 199 CO 0.86 -0.22 -0.00 0.08 -0.10 0.00 0.00 175.22 175.84 1iwa s VAL 200 N -3.68 0.17 0.05 -0.44 1.01 -1.14 -2.88 120.40 113.49 1iwa s VAL 200 Ca 0.22 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 1iwa s VAL 200 Cb 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1iwa s VAL 200 CO 0.03 -0.77 0.32 -1.59 0.00 0.00 0.00 175.10 173.08 1iwa s LYS 201 N -2.97 0.85 0.45 2.72 -2.85 0.13 -1.31 119.74 116.77 1iwa s LYS 201 Ca -0.02 -0.54 -0.23 0.00 -1.00 0.00 0.00 55.97 54.19 1iwa s LYS 201 Cb 0.01 0.37 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 1iwa s LYS 201 CO -0.06 -0.28 1.13 -0.51 0.10 0.00 0.00 175.35 175.73 1iwa s ASP 202 N -2.17 6.26 0.81 0.03 1.01 -0.97 -2.17 116.67 119.47 1iwa s ASP 202 Ca -0.04 2.23 -0.11 0.00 0.71 0.00 0.00 52.55 55.34 1iwa s ASP 202 Cb -0.00 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.41 1iwa s ASP 202 CO -0.04 -0.85 1.10 -0.62 0.21 0.00 0.00 175.17 174.96 1iwa s ASP 203 N -1.45 4.31 0.37 0.27 3.68 -1.26 -4.85 116.67 117.74 1iwa s ASP 203 Ca 0.63 1.35 0.04 0.00 2.13 0.00 0.00 52.55 56.70 1iwa s ASP 203 Cb -0.26 -2.08 0.71 0.00 -1.45 0.00 0.00 42.92 39.84 1iwa s ASP 203 CO 0.32 -2.09 2.03 1.05 0.13 0.00 0.00 175.17 176.61 1iwa h GLU 204 N -1.17 0.73 -0.20 4.34 9.09 -1.95 -1.91 114.58 123.51 1iwa h GLU 204 Ca -0.47 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1iwa h GLU 204 Cb 1.27 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1iwa h GLU 204 CO 0.58 0.48 0.00 0.27 0.05 0.00 0.00 179.01 180.40 1iwa n ASN 205 N -4.45 1.63 -4.53 3.06 6.94 -1.26 -4.74 115.26 111.91 1iwa n ASN 205 Ca 0.05 -1.76 -0.43 0.00 -0.02 0.00 0.00 54.58 52.42 1iwa n ASN 205 Cb 0.05 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.74 4.73 0.00 1.53 -1.09 -0.72 -4.84 121.20 119.07 1iwa s ILE 206 Ca 0.30 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1iwa s ILE 206 Cb 0.16 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1iwa s ILE 206 CO 0.24 -0.65 0.00 0.59 -1.23 0.00 0.00 174.94 173.88 1iwa n ASN 207 N 6.50 0.00 -3.58 3.58 5.03 -1.26 -4.72 115.26 120.81 1iwa n ASN 207 Ca 0.01 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.39 1iwa n ASN 207 Cb 0.48 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.16 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 -0.34 0.23 6.41 0.15 -1.26 -3.99 113.70 115.89 1iwa s SER 208 Ca 0.00 0.93 -0.07 0.00 0.70 0.00 0.00 55.95 57.52 1iwa s SER 208 Cb 0.00 1.47 -0.02 0.00 -1.71 0.00 0.00 66.02 65.76 1iwa s SER 208 CO 0.00 -0.24 0.31 -1.10 1.20 0.00 0.00 173.24 173.41 1iwa s GLN 209 N 2.65 1.39 0.36 5.44 1.11 0.08 -4.90 119.66 125.79 1iwa s GLN 209 Ca 0.01 -1.45 0.14 0.00 0.01 0.00 0.00 55.36 54.07 1iwa s GLN 209 Cb -0.13 0.37 0.98 0.00 -1.01 0.00 0.00 33.01 33.23 1iwa s GLN 209 CO -0.14 -0.52 1.77 -1.35 0.01 0.00 0.00 175.29 175.05 1iwa h PRO 210 N 2.43 0.49 -0.00 2.91 0.11 -2.02 0.70 132.00 136.62 1iwa h PRO 210 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1iwa h PRO 210 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iwa h PRO 210 CO 0.44 0.33 -0.09 1.97 -0.21 0.00 0.00 178.00 180.43 1iwa n PHE 211 N -4.71 0.00 -3.17 0.65 1.16 -1.26 -4.78 117.46 105.36 1iwa n PHE 211 Ca 0.25 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.88 1iwa n PHE 211 Cb 0.78 -0.38 -0.02 0.00 -1.61 0.00 0.00 39.48 38.24 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 -2.86 0.08 0.38 3.97 0.00 0.23 -4.30 119.30 116.81 1iwa s MET 212 Ca 0.18 0.16 -0.16 0.00 0.00 0.00 0.00 55.69 55.87 1iwa s MET 212 Cb 0.19 0.09 -0.09 0.00 0.00 0.00 0.00 34.83 35.02 1iwa s MET 212 CO 0.54 -0.07 0.82 1.03 0.00 0.00 0.00 175.02 177.34 1iwa s ARG 213 N 2.76 4.02 0.24 4.11 1.81 -1.14 -0.74 118.95 130.01 1iwa s ARG 213 Ca -0.06 0.78 -0.06 0.00 -1.72 0.00 0.00 55.73 54.68 1iwa s ARG 213 Cb -0.07 -2.33 0.31 0.00 -0.45 0.00 0.00 34.95 32.41 1iwa s ARG 213 CO -0.10 0.03 1.86 0.11 -0.68 0.00 0.00 175.30 176.52 1iwa h TRP 214 N 1.87 1.00 -0.81 -0.53 5.08 -1.90 -3.12 115.95 117.54 1iwa h TRP 214 Ca -0.48 0.03 0.04 0.00 1.08 0.00 0.00 58.89 59.56 1iwa h TRP 214 Cb 1.18 -0.33 -0.05 0.00 -3.00 0.00 0.00 29.16 26.96 1iwa h TRP 214 CO 0.62 0.53 0.53 0.00 -1.28 0.00 0.00 178.44 178.85 1iwa h ARG 215 N 1.01 0.95 -0.10 0.12 3.08 -1.94 -1.08 114.38 116.43 1iwa h ARG 215 Ca 0.36 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1iwa h ARG 215 Cb 0.12 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1iwa h ARG 215 CO -0.15 0.63 0.03 0.93 -1.07 0.00 0.00 179.97 180.33 1iwa h GLU 216 N 0.98 0.15 -0.79 0.04 3.07 -1.96 -1.83 114.58 114.24 1iwa h GLU 216 Ca 0.33 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.27 1iwa h GLU 216 Cb 0.08 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.89 1iwa h GLU 216 CO -0.10 0.30 0.41 -0.09 -1.40 0.00 0.00 179.01 178.13 1iwa h ARG 217 N -0.03 0.64 -0.04 2.33 2.43 -1.43 0.05 114.38 118.33 1iwa h ARG 217 Ca 0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1iwa h ARG 217 Cb 0.22 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1iwa h ARG 217 CO -0.00 0.42 0.01 1.88 -1.51 0.00 0.00 179.97 180.78 1iwa h TYR 218 N 0.66 0.06 0.38 2.20 -1.99 -1.04 -0.33 116.97 116.91 1iwa h TYR 218 Ca 0.40 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.12 1iwa h TYR 218 Cb 0.47 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1iwa h TYR 218 CO -0.09 0.22 -0.28 -0.07 -0.00 0.00 0.00 178.16 177.93 1iwa h LEU 219 N -0.11 -0.72 -0.61 3.88 -0.00 -0.61 -1.95 115.31 115.19 1iwa h LEU 219 Ca 0.01 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 1iwa h LEU 219 Cb 0.18 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 1iwa h LEU 219 CO -0.00 -0.43 0.22 -0.26 -0.00 0.00 0.00 178.44 177.98 1iwa h PHE 220 N -0.66 0.95 -0.79 1.13 -1.00 -1.04 -3.03 116.94 112.50 1iwa h PHE 220 Ca -0.03 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 1iwa h PHE 220 Cb 0.56 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 1iwa h PHE 220 CO -0.13 0.77 0.37 1.15 -1.61 0.00 0.00 178.31 178.86 1iwa h THR 221 N 0.86 1.25 0.00 -1.55 2.02 -1.01 -2.29 112.91 112.19 1iwa h THR 221 Ca 0.20 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 1iwa h THR 221 Cb 0.24 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1iwa h THR 221 CO -0.01 0.30 -0.18 0.24 0.37 0.00 0.00 175.52 176.24 1iwa h MET 222 N 1.12 0.00 -0.13 6.66 2.86 -1.26 -0.02 114.93 124.16 1iwa h MET 222 Ca 0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1iwa h MET 222 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1iwa h MET 222 CO -0.03 0.18 -0.20 1.49 1.06 0.00 0.00 176.91 179.41 1iwa h GLU 223 N 0.00 0.37 -0.68 1.72 4.57 -1.32 -2.29 114.58 116.95 1iwa h GLU 223 Ca -0.00 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1iwa h GLU 223 Cb 0.34 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1iwa h GLU 223 CO 0.02 0.80 0.44 0.00 -1.18 0.00 0.00 179.01 179.09 1iwa h ALA 224 N 0.56 0.87 -0.01 2.92 0.00 -0.88 -0.95 119.26 121.76 1iwa h ALA 224 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 224 Cb 0.76 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1iwa h ALA 224 CO 0.05 0.25 -0.00 0.28 0.00 0.00 0.00 179.25 179.82 1iwa h VAL 225 N 0.89 0.99 -0.28 0.00 2.07 -0.99 0.71 116.25 119.63 1iwa h VAL 225 Ca 0.26 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 1iwa h VAL 225 Cb -0.06 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1iwa h VAL 225 CO -0.07 0.00 -0.04 0.78 0.02 0.00 0.00 177.57 178.26 1iwa h ASN 226 N 0.00 0.40 -0.40 0.57 2.35 -1.20 -0.37 115.58 116.93 1iwa h ASN 226 Ca 0.01 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1iwa h ASN 226 Cb 0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1iwa h ASN 226 CO -0.01 0.50 -0.13 0.11 -1.65 0.00 0.00 177.43 176.25 1iwa h LYS 227 N 0.41 0.79 -0.67 0.81 1.57 -0.73 -1.25 116.57 117.50 1iwa h LYS 227 Ca 0.09 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1iwa h LYS 227 Cb 0.33 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1iwa h LYS 227 CO 0.01 0.93 0.31 0.00 -0.57 0.00 0.00 179.45 180.14 1iwa h ALA 228 N 0.83 1.30 -0.27 3.86 0.00 -0.23 0.91 119.26 125.67 1iwa h ALA 228 Ca 0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1iwa h ALA 228 Cb 0.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1iwa h ALA 228 CO 0.05 0.54 -0.11 1.03 0.00 0.00 0.00 179.25 180.76 1iwa h SER 229 N 0.94 0.56 -0.41 0.00 0.87 -0.87 -2.42 113.55 112.23 1iwa h SER 229 Ca 0.23 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1iwa h SER 229 Cb 0.11 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1iwa h SER 229 CO -0.03 0.83 0.04 0.00 -0.53 0.00 0.00 176.83 177.15 1iwa h ALA 230 N 0.75 1.17 0.00 6.23 0.00 -0.83 0.10 119.26 126.68 1iwa h ALA 230 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1iwa h ALA 230 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1iwa h ALA 230 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1iwa n ALA 231 N -2.47 2.32 0.00 0.00 0.00 0.28 -4.22 120.51 116.42 1iwa n ALA 231 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1iwa n ALA 231 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.36 0.00 -0.84 0.00 -2.24 -0.92 -5.03 114.28 103.89 1iwa n THR 232 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1iwa n THR 232 Cb 0.25 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.13 0.50 3.63 3.38 0.00 0.33 -5.05 105.19 109.10 1iwa n GLY 233 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.37 2.15 -0.21 1.61 2.02 -1.25 -5.09 118.70 116.56 1iwa s GLU 234 Ca 0.00 -1.59 -0.23 0.00 0.02 0.00 0.00 54.97 53.17 1iwa s GLU 234 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1iwa s GLU 234 CO 0.00 0.25 0.74 0.08 0.02 0.00 0.00 175.26 176.36 1iwa s VAL 235 N -2.43 4.93 0.33 2.63 1.01 -1.26 -4.46 120.40 121.15 1iwa s VAL 235 Ca 0.33 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.81 1iwa s VAL 235 Cb -0.04 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1iwa s VAL 235 CO 0.19 0.03 0.10 -0.54 0.00 0.00 0.00 175.10 174.88 1iwa s LYS 236 N 2.29 2.31 -0.01 2.72 -0.14 -1.26 -5.01 119.74 120.64 1iwa s LYS 236 Ca 0.33 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 53.09 1iwa s LYS 236 Cb -0.16 -2.13 0.08 0.00 -1.68 0.00 0.00 37.83 33.94 1iwa s LYS 236 CO 0.10 0.15 0.74 0.20 -0.76 0.00 0.00 175.35 175.78 1iwa s GLY 237 N -3.80 -0.53 -0.10 -3.33 0.00 -1.22 -4.77 107.32 93.57 1iwa s GLY 237 Ca 0.36 1.21 -0.00 0.00 0.00 0.00 0.00 44.72 46.29 1iwa s GLY 237 CO 0.22 0.72 -0.07 -1.58 0.00 0.00 0.00 173.10 172.38 1iwa s HIS 238 N -1.98 1.38 -0.52 1.90 2.46 -1.26 -2.90 115.29 114.38 1iwa s HIS 238 Ca -0.05 -0.65 -0.26 0.00 0.47 0.00 0.00 55.06 54.57 1iwa s HIS 238 Cb -0.00 -1.16 -0.07 0.00 -0.13 0.00 0.00 32.58 31.21 1iwa s HIS 238 CO 0.01 -0.47 2.38 0.71 -2.47 0.00 0.00 174.74 174.90 1iwa s TYR 239 N 1.62 1.11 -0.32 3.88 1.51 -0.43 -4.69 117.35 120.03 1iwa s TYR 239 Ca 0.03 1.55 -0.27 0.00 -1.01 0.00 0.00 57.07 57.36 1iwa s TYR 239 Cb -0.13 -3.60 0.01 0.00 -0.11 0.00 0.00 41.96 38.13 1iwa s TYR 239 CO -0.07 -2.46 1.00 -0.51 -1.11 0.00 0.00 175.55 172.40 1iwa s LEU 240 N 12.20 3.97 -0.19 -1.29 1.43 -1.23 -2.30 118.68 131.27 1iwa s LEU 240 Ca 0.95 0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 54.67 1iwa s LEU 240 Cb -0.16 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 1iwa s LEU 240 CO 0.25 -0.82 1.24 0.21 0.23 0.00 0.00 176.35 177.45 1iwa s ASN 241 N 1.67 6.93 0.00 2.29 3.04 -1.26 -1.75 114.94 125.87 1iwa s ASN 241 Ca 0.42 1.59 0.19 0.00 0.04 0.00 0.00 52.86 55.10 1iwa s ASN 241 Cb -0.13 -2.54 0.34 0.00 -1.54 0.00 0.00 41.25 37.39 1iwa s ASN 241 CO 0.15 -0.79 1.28 1.33 -3.04 0.00 0.00 177.10 176.03 1iwa n VAL 242 N 5.47 0.51 -1.63 -5.21 0.24 -0.78 -4.86 118.33 112.07 1iwa n VAL 242 Ca 0.14 -0.76 -0.48 0.00 -2.04 0.00 0.00 64.34 61.20 1iwa n VAL 242 Cb 0.45 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.16 0.40 -3.91 3.34 -1.04 -1.26 -4.48 114.28 108.49 1iwa n THR 243 Ca 0.16 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 1iwa n THR 243 Cb 0.52 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 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 0.34 -0.53 0.16 2.41 0.00 -1.26 -4.86 121.76 118.02 1iwa s ALA 244 Ca 0.77 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1iwa s ALA 244 Cb -0.79 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1iwa s ALA 244 CO 0.46 -0.94 1.59 0.00 0.00 0.00 0.00 175.76 176.86 1iwa h ALA 245 N 2.08 0.72 -1.94 0.00 0.00 -1.97 -3.46 119.26 114.69 1iwa h ALA 245 Ca -0.26 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.69 1iwa h ALA 245 Cb 1.25 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1iwa h ALA 245 CO 0.34 0.63 -0.68 0.95 0.00 0.00 0.00 179.25 180.49 1iwa s THR 246 N -4.85 2.19 0.08 0.00 -4.23 -1.26 -5.05 115.64 102.53 1iwa s THR 246 Ca -0.12 -2.19 -0.18 0.00 -1.18 0.00 0.00 61.69 58.02 1iwa s THR 246 Cb 0.12 -2.65 -0.08 0.00 1.34 0.00 0.00 72.50 71.23 1iwa s THR 246 CO 0.86 -0.20 1.48 -0.03 -0.54 0.00 0.00 174.62 176.18 1iwa h MET 247 N 2.03 0.51 -0.25 3.99 4.05 -1.99 -2.22 114.93 121.06 1iwa h MET 247 Ca -0.42 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 58.86 1iwa h MET 247 Cb 1.25 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.95 1iwa h MET 247 CO 0.71 0.73 -0.25 0.93 0.23 0.00 0.00 176.91 179.26 1iwa h GLU 248 N 0.26 -0.24 -0.87 0.39 3.07 -1.99 0.22 114.58 115.42 1iwa h GLU 248 Ca 0.07 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1iwa h GLU 248 Cb 0.55 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.46 1iwa h GLU 248 CO 0.03 -0.16 0.55 1.49 -1.40 0.00 0.00 179.01 179.52 1iwa h GLU 249 N -0.25 1.02 -0.76 2.33 4.57 -1.97 -1.00 114.58 118.53 1iwa h GLU 249 Ca 0.14 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1iwa h GLU 249 Cb 0.46 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1iwa h GLU 249 CO -0.39 0.68 0.39 0.52 -1.18 0.00 0.00 179.01 179.02 1iwa h MET 250 N 1.05 1.08 -0.48 1.92 2.86 -0.58 -1.37 114.93 119.41 1iwa h MET 250 Ca 0.36 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1iwa h MET 250 Cb 0.06 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1iwa h MET 250 CO -0.14 0.82 0.17 1.88 1.06 0.00 0.00 176.91 180.70 1iwa h TYR 251 N 1.06 0.75 -0.82 -0.22 0.05 -0.37 0.18 116.97 117.60 1iwa h TYR 251 Ca 0.26 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 59.03 1iwa h TYR 251 Cb 0.08 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 1iwa h TYR 251 CO 0.01 0.65 0.50 0.00 -1.05 0.00 0.00 178.16 178.27 1iwa h ALA 252 N 1.02 1.11 -0.15 3.88 0.00 -0.72 0.72 119.26 125.13 1iwa h ALA 252 Ca 0.16 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1iwa h ALA 252 Cb 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1iwa h ALA 252 CO -0.01 0.25 -0.61 0.00 0.00 0.00 0.00 179.25 178.88 1iwa h ARG 253 N 0.93 0.68 -0.34 0.00 3.08 -0.96 -2.19 114.38 115.58 1iwa h ARG 253 Ca 0.35 -0.53 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1iwa h ARG 253 Cb 0.14 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1iwa h ARG 253 CO -0.16 1.15 0.15 0.00 -1.07 0.00 0.00 179.97 180.03 1iwa h ALA 254 N 0.53 0.44 -0.53 0.04 0.00 -0.08 -2.22 119.26 117.44 1iwa h ALA 254 Ca -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1iwa h ALA 254 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1iwa h ALA 254 CO 0.13 0.03 0.19 -0.91 0.00 0.00 0.00 179.25 178.68 1iwa h ASN 255 N 0.40 0.71 -0.51 0.00 -0.26 0.42 -0.50 115.58 115.84 1iwa h ASN 255 Ca 0.11 -0.10 -0.12 0.00 -0.56 0.00 0.00 56.30 55.64 1iwa h ASN 255 Cb 0.16 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1iwa h ASN 255 CO -0.01 0.66 -0.13 0.15 -1.06 0.00 0.00 177.43 177.04 1iwa h PHE 256 N 0.77 1.12 -0.87 1.19 3.57 -1.17 0.98 116.94 122.52 1iwa h PHE 256 Ca 0.18 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1iwa h PHE 256 Cb 0.19 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1iwa h PHE 256 CO 0.01 1.06 0.49 0.00 -2.23 0.00 0.00 178.31 177.64 1iwa h ALA 257 N 0.90 1.11 -0.39 2.41 0.00 -0.92 -0.97 119.26 121.39 1iwa h ALA 257 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iwa h ALA 257 Cb 0.70 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1iwa h ALA 257 CO 0.05 0.60 0.26 -0.22 0.00 0.00 0.00 179.25 179.95 1iwa h LYS 258 N 1.21 0.52 -0.05 0.00 3.64 -0.49 -2.01 116.57 119.39 1iwa h LYS 258 Ca 0.31 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1iwa h LYS 258 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1iwa h LYS 258 CO -0.05 0.35 -0.11 0.93 -2.27 0.00 0.00 179.45 178.30 1iwa h GLU 259 N 0.53 -0.15 0.00 1.90 5.08 -0.18 -2.38 114.58 119.38 1iwa h GLU 259 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1iwa h GLU 259 Cb -0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1iwa h GLU 259 CO -0.03 -0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.16 1iwa n LEU 260 N -5.24 0.00 0.00 1.33 4.77 -0.43 -4.87 117.00 112.56 1iwa n LEU 260 Ca -0.05 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1iwa n LEU 260 Cb 0.16 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1iwa n LEU 260 CO 0.26 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1iwa n GLY 261 N -0.02 0.75 3.66 -0.72 0.00 -0.90 -5.03 105.19 102.93 1iwa n GLY 261 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 2.35 -0.03 1.61 2.88 -0.78 -4.87 113.62 114.79 1iwa n SER 262 Ca 0.00 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.85 1iwa n SER 262 Cb 0.00 -1.41 0.40 0.00 -0.75 0.00 0.00 64.21 62.44 1iwa n SER 262 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1iwa n VAL 263 N 0.74 0.00 -3.52 2.46 3.14 -1.26 -4.79 118.33 115.10 1iwa n VAL 263 Ca 0.08 -0.01 -0.16 0.00 -2.96 0.00 0.00 64.34 61.29 1iwa n VAL 263 Cb 0.33 0.02 -0.05 0.00 -1.06 0.00 0.00 33.84 33.09 1iwa n VAL 263 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 1iwa s ILE 264 N -2.91 0.01 0.21 1.55 2.07 -1.26 -2.49 121.20 118.37 1iwa s ILE 264 Ca 0.15 -0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1iwa s ILE 264 Cb 0.18 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 1iwa s ILE 264 CO 0.62 -0.04 0.13 0.27 -1.91 0.00 0.00 174.94 174.00 1iwa s ILE 265 N -2.05 0.07 0.09 2.00 -4.36 -0.33 -3.49 121.20 113.13 1iwa s ILE 265 Ca -0.07 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1iwa s ILE 265 Cb -0.01 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1iwa s ILE 265 CO 0.02 0.00 -0.05 0.00 0.24 0.00 0.00 174.94 175.15 1iwa s MET 266 N -4.14 0.80 0.05 0.37 0.23 -0.71 -1.02 119.30 114.88 1iwa s MET 266 Ca 0.39 -1.32 -0.06 0.00 -1.03 0.00 0.00 55.69 53.66 1iwa s MET 266 Cb 0.07 -0.12 -0.01 0.00 -1.53 0.00 0.00 34.83 33.24 1iwa s MET 266 CO 0.12 -0.04 0.12 0.96 -2.03 0.00 0.00 175.02 174.15 1iwa s ILE 267 N -3.69 0.14 -0.10 3.16 -4.36 -0.06 -1.87 121.20 114.43 1iwa s ILE 267 Ca 0.12 -1.16 -0.04 0.00 -0.26 0.00 0.00 60.65 59.31 1iwa s ILE 267 Cb 0.06 -1.05 -0.04 0.00 1.25 0.00 0.00 42.46 42.68 1iwa s ILE 267 CO -0.05 -0.64 0.08 -1.81 0.24 0.00 0.00 174.94 172.76 1iwa s ASP 268 N -2.35 5.88 0.38 4.36 1.01 -1.26 -1.19 116.67 123.50 1iwa s ASP 268 Ca -0.02 0.32 0.20 0.00 0.71 0.00 0.00 52.55 53.77 1iwa s ASP 268 Cb 0.01 -1.80 1.11 0.00 1.01 0.00 0.00 42.92 43.25 1iwa s ASP 268 CO -0.06 0.39 1.58 0.25 0.21 0.00 0.00 175.17 177.54 1iwa h LEU 270 N 4.98 0.00 -0.19 1.23 5.85 -0.85 -0.69 115.31 125.65 1iwa h LEU 270 Ca -0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1iwa h LEU 270 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iwa h LEU 270 CO 0.57 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 179.22 1iwa n VAL 271 N -2.29 0.65 0.20 1.05 3.14 -1.23 -2.95 118.33 116.91 1iwa n VAL 271 Ca -0.01 0.09 0.09 0.00 -2.96 0.00 0.00 64.34 61.54 1iwa n VAL 271 Cb 0.18 -0.85 0.32 0.00 -1.06 0.00 0.00 33.84 32.44 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 0.52 0.00 1.55 3.07 -1.49 -3.49 117.51 117.67 1iwa h ILE 272 Ca 0.00 -1.35 0.00 0.00 1.55 0.00 0.00 64.86 65.06 1iwa h ILE 272 Cb 0.43 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1iwa h ILE 272 CO 0.00 0.25 0.00 0.61 -1.05 0.00 0.00 178.15 177.96 1iwa n GLY 273 N 0.55 2.68 0.36 0.16 0.00 -1.15 -4.58 105.19 103.21 1iwa n GLY 273 Ca 0.01 -1.80 0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 1.17 -0.27 1.61 0.05 -1.95 -0.62 116.97 116.96 1iwa h TYR 274 Ca 0.00 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.64 1iwa h TYR 274 Cb 0.00 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.36 1iwa h TYR 274 CO 0.00 0.57 -0.50 1.15 -1.05 0.00 0.00 178.16 178.33 1iwa h THR 275 N 1.11 1.29 -0.28 -2.88 2.02 -1.99 -1.33 112.91 110.86 1iwa h THR 275 Ca 0.44 -1.70 -0.13 0.00 0.77 0.00 0.00 66.41 65.80 1iwa h THR 275 Cb 0.25 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1iwa h THR 275 CO -0.20 0.55 -0.35 0.00 0.37 0.00 0.00 175.52 175.89 1iwa h ALA 276 N 0.85 0.87 -0.37 6.16 0.00 -1.72 -1.50 119.26 123.55 1iwa h ALA 276 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1iwa h ALA 276 Cb 1.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1iwa h ALA 276 CO 0.11 0.63 0.14 0.82 0.00 0.00 0.00 179.25 180.95 1iwa h ILE 277 N 0.51 1.19 -0.28 0.00 2.04 -0.95 -0.67 117.51 119.35 1iwa h ILE 277 Ca 0.05 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 1iwa h ILE 277 Cb 0.85 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1iwa h ILE 277 CO 0.07 0.21 -0.19 1.56 0.00 0.00 0.00 178.15 179.81 1iwa h GLN 278 N 0.45 0.51 -0.48 2.37 4.20 -1.11 0.90 115.11 121.95 1iwa h GLN 278 Ca 0.12 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1iwa h GLN 278 Cb 0.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1iwa h GLN 278 CO -0.01 0.67 0.13 1.15 -0.67 0.00 0.00 178.83 180.10 1iwa h THR 279 N 0.46 1.24 -0.48 -0.54 2.02 -0.96 -2.48 112.91 112.17 1iwa h THR 279 Ca 0.08 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.33 1iwa h THR 279 Cb 0.59 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1iwa h THR 279 CO 0.04 0.29 -0.14 0.24 0.37 0.00 0.00 175.52 176.32 1iwa h MET 280 N 0.66 0.90 -0.92 6.66 2.86 -0.62 -1.96 114.93 122.51 1iwa h MET 280 Ca 0.15 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1iwa h MET 280 Cb 0.31 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1iwa h MET 280 CO -0.00 0.98 0.56 0.00 1.06 0.00 0.00 176.91 179.51 1iwa h ALA 281 N 1.03 1.17 -0.01 6.32 0.00 -0.67 0.18 119.26 127.27 1iwa h ALA 281 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 281 Cb 0.67 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iwa h ALA 281 CO 0.05 0.61 0.00 -0.22 0.00 0.00 0.00 179.25 179.69 1iwa h LYS 282 N 1.26 0.02 -0.49 0.00 3.64 -1.30 -1.33 116.57 118.37 1iwa h LYS 282 Ca 0.33 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.79 1iwa h LYS 282 Cb -0.07 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.67 1iwa h LYS 282 CO -0.06 0.28 0.05 2.35 -2.27 0.00 0.00 179.45 179.80 1iwa h TRP 283 N -0.24 0.06 -0.78 1.91 7.01 -0.86 -0.06 115.95 122.99 1iwa h TRP 283 Ca 0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 1iwa h TRP 283 Cb 0.27 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.35 1iwa h TRP 283 CO 0.02 -0.06 0.34 0.00 -2.79 0.00 0.00 178.44 175.94 1iwa h ALA 284 N 1.41 1.12 -0.65 2.65 0.00 -0.57 -0.29 119.26 122.94 1iwa h ALA 284 Ca 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1iwa h ALA 284 Cb 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1iwa h ALA 284 CO -0.37 0.64 0.21 -0.09 0.00 0.00 0.00 179.25 179.64 1iwa h ARG 285 N 1.12 0.99 -0.00 0.00 9.65 -0.21 -2.37 114.38 123.56 1iwa h ARG 285 Ca 0.26 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1iwa h ARG 285 Cb 0.17 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1iwa h ARG 285 CO -0.03 0.84 -0.13 -0.25 2.80 0.00 0.00 179.97 183.21 1iwa n ASP 286 N -4.28 0.23 -0.68 -3.80 10.43 -0.13 -3.95 116.55 114.37 1iwa n ASP 286 Ca 0.05 -0.04 0.05 0.00 2.57 0.00 0.00 54.79 57.43 1iwa n ASP 286 Cb 0.21 -0.21 0.11 0.00 1.84 0.00 0.00 41.12 43.08 1iwa n ASP 286 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1iwa n ASN 287 N -1.31 1.42 -4.15 -2.24 3.02 -0.16 -5.02 115.26 106.80 1iwa n ASN 287 Ca 0.10 -2.95 -0.36 0.00 -0.03 0.00 0.00 54.58 51.34 1iwa n ASN 287 Cb 0.31 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.62 -1.38 -4.17 6.41 9.92 -0.94 -4.96 116.55 120.82 1iwa n ASP 288 Ca 0.12 -1.24 -0.24 0.00 -0.53 0.00 0.00 54.79 52.90 1iwa n ASP 288 Cb 0.79 -1.90 -0.15 0.00 -0.64 0.00 0.00 41.12 39.22 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 -7.23 1.37 0.03 -1.24 1.75 -0.94 -4.97 119.30 108.07 1iwa s MET 289 Ca 0.21 -0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 53.71 1iwa s MET 289 Cb -0.11 -1.34 -0.04 0.00 2.84 0.00 0.00 34.83 36.18 1iwa s MET 289 CO 0.97 0.37 1.03 0.42 -0.65 0.00 0.00 175.02 177.16 1iwa s ILE 290 N -0.44 4.61 -0.35 10.11 1.01 -1.04 -4.64 121.20 130.46 1iwa s ILE 290 Ca 0.06 1.90 -0.06 0.00 0.00 0.00 0.00 60.65 62.55 1iwa s ILE 290 Cb -0.07 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.23 1iwa s ILE 290 CO -0.00 0.16 0.13 -0.22 0.00 0.00 0.00 174.94 175.01 1iwa s LEU 291 N 0.91 4.47 -0.09 2.97 2.96 -1.26 -1.18 118.68 127.45 1iwa s LEU 291 Ca 0.53 -1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.08 1iwa s LEU 291 Cb -0.23 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1iwa s LEU 291 CO 0.29 -0.36 0.30 -2.28 -1.32 0.00 0.00 176.35 172.97 1iwa s HIS 292 N 1.39 3.60 -0.19 5.38 5.65 -0.19 0.79 115.29 131.72 1iwa s HIS 292 Ca -0.01 0.73 -0.01 0.00 0.25 0.00 0.00 55.06 56.03 1iwa s HIS 292 Cb -0.20 -2.22 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 1iwa s HIS 292 CO 0.02 0.51 -0.13 -1.17 -0.65 0.00 0.00 174.74 173.33 1iwa s LEU 293 N -0.48 2.51 -0.16 8.88 2.96 -0.08 -0.88 118.68 131.42 1iwa s LEU 293 Ca 0.19 -0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 1iwa s LEU 293 Cb -0.14 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1iwa s LEU 293 CO 0.08 0.02 0.40 -2.28 -1.32 0.00 0.00 176.35 173.24 1iwa s HIS 294 N 1.22 3.44 -1.46 5.38 5.65 -0.33 -3.22 115.29 125.96 1iwa s HIS 294 Ca 0.02 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.04 1iwa s HIS 294 Cb -0.14 -2.49 0.00 0.00 -1.18 0.00 0.00 32.58 28.77 1iwa s HIS 294 CO -0.06 0.11 0.15 2.89 -0.65 0.00 0.00 174.74 177.19 1iwa n ARG 295 N 3.99 0.21 -0.63 2.88 1.85 -1.26 -0.30 116.66 123.39 1iwa n ARG 295 Ca -0.09 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.49 1iwa n ARG 295 Cb 0.51 -1.06 -0.05 0.00 -1.05 0.00 0.00 32.46 30.82 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 -0.02 -0.21 0.00 2.89 0.00 -1.26 -0.43 120.51 121.48 1iwa n ALA 296 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1iwa n ALA 296 Cb 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 2.53 1.73 0.29 0.00 0.00 -1.26 -3.50 105.19 104.98 1iwa n GLY 297 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.86 0.00 1.61 -1.24 -1.15 -1.60 115.58 112.33 1iwa h ASN 298 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1iwa h ASN 298 Cb 0.00 0.44 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1iwa h ASN 298 CO 0.00 -0.27 0.04 -1.20 -1.29 0.00 0.00 177.43 174.71 1iwa n SER 299 N -5.40 0.00 0.29 1.15 7.64 -1.26 -1.70 113.62 114.33 1iwa n SER 299 Ca 0.02 0.44 0.16 0.00 1.01 0.00 0.00 58.87 60.50 1iwa n SER 299 Cb 0.32 -0.44 0.85 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.39 0.00 0.44 2.02 -1.69 -3.18 112.91 110.89 1iwa h THR 300 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1iwa h THR 300 Cb 0.08 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1iwa h THR 300 CO 0.00 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.95 1iwa n TYR 301 N -3.51 0.00 0.18 3.16 0.18 -0.69 -4.85 117.16 111.64 1iwa n TYR 301 Ca -0.02 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.86 1iwa n TYR 301 Cb 0.19 0.00 0.18 0.00 -0.38 0.00 0.00 39.34 39.33 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 -0.16 3.17 -0.08 9.48 3.41 -0.94 -1.01 113.62 127.49 1iwa n SER 302 Ca 0.00 -1.91 -0.16 0.00 -0.26 0.00 0.00 58.87 56.53 1iwa n SER 302 Cb 0.03 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 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 3.63 0.00 -7.10 4.33 9.65 -1.82 -3.43 114.38 119.64 1iwa h ARG 303 Ca 0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.43 1iwa h ARG 303 Cb 0.86 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 1iwa h ARG 303 CO 0.00 0.91 0.35 -0.65 2.80 0.00 0.00 179.97 183.38 1iwa s GLN 304 N -2.25 4.12 0.35 0.20 -1.52 -1.26 -3.95 119.66 115.35 1iwa s GLN 304 Ca -0.22 1.05 0.23 0.00 -1.95 0.00 0.00 55.36 54.47 1iwa s GLN 304 Cb 0.01 -2.17 0.21 0.00 -0.22 0.00 0.00 33.01 30.85 1iwa s GLN 304 CO 0.60 -0.12 1.40 -0.22 -0.25 0.00 0.00 175.29 176.70 1iwa h LYS 305 N 1.54 0.00 0.00 2.91 3.64 -1.92 -3.36 116.57 119.38 1iwa h LYS 305 Ca -0.48 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.61 1iwa h LYS 305 Cb 1.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1iwa h LYS 305 CO 0.61 0.00 -1.74 0.27 -2.27 0.00 0.00 179.45 176.32 1iwa n ASN 306 N -2.95 0.80 -3.83 4.20 6.94 -1.26 -4.93 115.26 114.23 1iwa n ASN 306 Ca 0.03 0.38 -0.12 0.00 -0.02 0.00 0.00 54.58 54.84 1iwa n ASN 306 Cb 0.54 0.05 -0.13 0.00 -2.36 0.00 0.00 39.78 37.88 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 -2.62 -0.14 -0.85 -2.53 5.04 -1.26 -3.54 115.29 109.40 1iwa s HIS 307 Ca -0.05 0.33 0.00 0.00 -1.54 0.00 0.00 55.06 53.80 1iwa s HIS 307 Cb 0.08 0.04 0.00 0.00 0.04 0.00 0.00 32.58 32.74 1iwa s HIS 307 CO 0.82 -0.07 0.00 0.41 -2.34 0.00 0.00 174.74 173.56 1iwa n GLY 308 N 2.97 0.29 2.85 1.59 0.00 -0.39 -4.51 105.19 108.00 1iwa n GLY 308 Ca -0.13 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.59 0.62 0.36 1.61 -1.94 -0.18 -0.98 119.30 118.20 1iwa s MET 309 Ca 0.00 -0.02 -0.27 0.00 -1.71 0.00 0.00 55.69 53.70 1iwa s MET 309 Cb 0.00 -0.72 -0.09 0.00 2.01 0.00 0.00 34.83 36.03 1iwa s MET 309 CO 0.00 -0.12 1.17 1.21 -0.01 0.00 0.00 175.02 177.27 1iwa s ASN 310 N 1.06 6.73 0.58 3.03 3.84 -0.19 -3.71 114.94 126.28 1iwa s ASN 310 Ca -0.09 2.37 0.28 0.00 0.21 0.00 0.00 52.86 55.63 1iwa s ASN 310 Cb -0.14 -2.62 1.76 0.00 -0.55 0.00 0.00 41.25 39.70 1iwa s ASN 310 CO -0.01 -0.53 2.24 0.15 -2.79 0.00 0.00 177.10 176.16 1iwa h PHE 311 N 3.00 0.00 0.00 0.43 3.57 -1.90 -1.53 116.94 120.50 1iwa h PHE 311 Ca -0.48 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 1iwa h PHE 311 Cb 1.23 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1iwa h PHE 311 CO 0.56 0.00 -0.14 0.07 -2.23 0.00 0.00 178.31 176.57 1iwa h ARG 312 N 0.00 0.00 -0.21 1.11 0.11 -1.91 -0.07 114.38 113.41 1iwa h ARG 312 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1iwa h ARG 312 Cb 0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1iwa h ARG 312 CO -0.00 0.14 -0.04 0.28 0.10 0.00 0.00 179.97 180.45 1iwa h VAL 313 N 0.00 1.28 -0.48 0.08 2.07 -1.52 -2.23 116.25 115.45 1iwa h VAL 313 Ca -0.00 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1iwa h VAL 313 Cb 0.29 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1iwa h VAL 313 CO 0.02 0.31 0.14 0.40 0.02 0.00 0.00 177.57 178.46 1iwa h ILE 314 N 0.13 1.20 -0.62 4.57 5.03 -1.41 -1.35 117.51 125.06 1iwa h ILE 314 Ca 0.05 -0.69 0.04 0.00 -0.12 0.00 0.00 64.86 64.15 1iwa h ILE 314 Cb 0.49 0.68 -0.05 0.00 -3.03 0.00 0.00 36.82 34.91 1iwa h ILE 314 CO 0.02 0.26 0.35 0.00 -0.68 0.00 0.00 178.15 178.10 1iwa h LYS 316 N 0.68 0.04 -0.86 0.00 1.57 -0.76 0.62 116.57 117.86 1iwa h LYS 316 Ca 0.27 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1iwa h LYS 316 Cb 0.11 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1iwa h LYS 316 CO -0.15 0.29 0.56 -1.49 -0.57 0.00 0.00 179.45 178.09 1iwa h TRP 317 N -0.21 1.05 -0.02 -1.35 6.55 -0.82 -0.77 115.95 120.38 1iwa h TRP 317 Ca 0.01 0.03 -0.14 0.00 0.95 0.00 0.00 58.89 59.73 1iwa h TRP 317 Cb 0.26 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.20 1iwa h TRP 317 CO 0.01 0.61 -0.64 0.52 -1.05 0.00 0.00 178.44 177.90 1iwa h MET 318 N 1.10 0.09 -0.20 0.49 2.86 -0.06 0.33 114.93 119.54 1iwa h MET 318 Ca 0.34 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.80 1iwa h MET 318 Cb -0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1iwa h MET 318 CO -0.11 0.70 -0.38 -0.09 1.06 0.00 0.00 176.91 178.09 1iwa h ARG 319 N 0.06 0.44 -0.36 1.72 2.43 -0.22 -2.53 114.38 115.92 1iwa h ARG 319 Ca -0.01 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1iwa h ARG 319 Cb 1.14 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1iwa h ARG 319 CO 0.09 0.75 -0.26 0.52 -1.51 0.00 0.00 179.97 179.56 1iwa h MET 320 N 0.37 0.81 -0.70 0.20 2.86 -0.84 -3.11 114.93 114.52 1iwa h MET 320 Ca 0.04 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1iwa h MET 320 Cb 0.83 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1iwa h MET 320 CO 0.07 1.02 0.46 0.00 1.06 0.00 0.00 176.91 179.52 1iwa h ALA 321 N 0.77 1.59 0.00 6.32 0.00 -0.65 -2.60 119.26 124.68 1iwa h ALA 321 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 321 Cb 0.83 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1iwa h ALA 321 CO 0.07 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1iwa n GLY 322 N -1.44 1.63 3.80 0.00 0.00 -0.98 -4.52 105.19 103.68 1iwa n GLY 322 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.72 -0.10 1.61 1.01 -1.18 -0.40 120.40 123.06 1iwa s VAL 323 Ca 0.00 1.02 0.14 0.00 0.00 0.00 0.00 61.98 63.14 1iwa s VAL 323 Cb 0.00 -3.42 -0.24 0.00 0.00 0.00 0.00 36.38 32.73 1iwa s VAL 323 CO 0.00 -0.28 0.47 0.47 0.00 0.00 0.00 175.10 175.75 1iwa n ASP 324 N -1.21 0.58 -4.14 3.32 8.00 0.24 -4.34 116.55 119.00 1iwa n ASP 324 Ca 0.09 0.28 -0.14 0.00 0.71 0.00 0.00 54.79 55.74 1iwa n ASP 324 Cb 0.52 0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.56 0.93 -0.27 1.24 3.76 -0.62 -1.23 115.29 116.54 1iwa s HIS 325 Ca -0.06 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.03 1iwa s HIS 325 Cb 0.07 -0.52 0.08 0.00 1.11 0.00 0.00 32.58 33.32 1iwa s HIS 325 CO 0.83 -0.05 0.67 -1.50 -0.85 0.00 0.00 174.74 173.84 1iwa s ILE 326 N -2.27 -0.00 -0.03 0.60 2.07 -0.85 -0.91 121.20 119.80 1iwa s ILE 326 Ca 0.02 0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 58.97 1iwa s ILE 326 Cb -0.04 -0.97 -0.07 0.00 0.13 0.00 0.00 42.46 41.52 1iwa s ILE 326 CO -0.01 0.00 1.81 -1.00 -1.91 0.00 0.00 174.94 173.84 1iwa s HIS 327 N 1.41 1.65 -0.21 3.50 3.76 -1.20 -0.86 115.29 123.34 1iwa s HIS 327 Ca -0.08 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1iwa s HIS 327 Cb -0.05 -4.06 0.03 0.00 1.11 0.00 0.00 32.58 29.61 1iwa s HIS 327 CO -0.16 -4.53 0.74 0.00 -0.85 0.00 0.00 174.74 169.94 1iwa n ALA 328 N 7.61 2.32 0.00 -1.40 0.00 -0.50 -4.76 120.51 123.79 1iwa n ALA 328 Ca 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1iwa n ALA 328 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.05 2.47 3.33 0.00 0.00 -1.18 -4.89 105.19 104.86 1iwa n GLY 329 Ca 0.01 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.81 1.99 -0.10 2.61 -4.23 -1.26 -4.30 115.64 107.54 1iwa s THR 330 Ca 0.00 -1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 1iwa s THR 330 Cb 0.00 -1.76 -0.27 0.00 1.34 0.00 0.00 72.50 71.81 1iwa s THR 330 CO 0.00 0.11 0.44 0.58 -0.54 0.00 0.00 174.62 175.22 1iwa h VAL 331 N 4.07 0.70 -0.51 2.29 2.07 -1.90 -3.37 116.25 119.59 1iwa h VAL 331 Ca -0.48 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.65 1iwa h VAL 331 Cb 1.17 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1iwa h VAL 331 CO 0.41 0.88 0.00 1.33 0.02 0.00 0.00 177.57 180.20 1iwa n VAL 332 N -3.48 0.90 -1.41 2.57 0.24 -1.26 -4.71 118.33 111.18 1iwa n VAL 332 Ca -0.30 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 1iwa n VAL 332 Cb 1.05 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 1.21 0.01 0.07 7.63 0.00 -1.26 -4.40 105.19 108.45 1iwa n GLY 333 Ca 0.18 -1.81 0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.71 1.10 -4.74 1.61 2.85 -0.31 -4.69 118.16 113.26 1iwa n LYS 334 Ca 0.00 -0.15 -0.30 0.00 -1.05 0.00 0.00 58.31 56.81 1iwa n LYS 334 Cb 0.00 -1.48 -0.14 0.00 -0.65 0.00 0.00 35.03 32.76 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 -1.97 2.29 0.07 -5.58 1.02 -1.26 -5.02 118.68 108.22 1iwa s LEU 335 Ca 0.45 -0.59 -0.31 0.00 0.02 0.00 0.00 54.13 53.70 1iwa s LEU 335 Cb 0.21 -1.32 -0.16 0.00 0.02 0.00 0.00 46.19 44.94 1iwa s LEU 335 CO 0.36 0.24 0.74 1.21 0.02 0.00 0.00 176.35 178.91 1iwa n GLU 336 N 1.53 0.00 -2.68 1.70 4.07 -1.26 -4.76 120.64 119.24 1iwa n GLU 336 Ca -0.17 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.92 1iwa n GLU 336 Cb 0.52 -1.13 0.02 0.00 -0.06 0.00 0.00 31.44 30.80 1iwa n GLU 336 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1iwa s GLY 337 N -0.35 -1.82 0.13 8.31 0.00 -1.26 -4.80 107.32 107.53 1iwa s GLY 337 Ca 0.70 0.98 -0.31 0.00 0.00 0.00 0.00 44.72 46.09 1iwa s GLY 337 CO 0.49 4.38 1.52 -0.35 0.00 0.00 0.00 173.10 179.14 1iwa s ASP 338 N 1.39 6.67 0.28 1.64 2.15 -1.26 -4.65 116.67 122.90 1iwa s ASP 338 Ca 0.19 2.49 0.03 0.00 0.43 0.00 0.00 52.55 55.69 1iwa s ASP 338 Cb 0.10 -2.59 0.64 0.00 -0.30 0.00 0.00 42.92 40.77 1iwa s ASP 338 CO -0.13 -0.78 1.78 1.55 -0.17 0.00 0.00 175.17 177.42 1iwa h PRO 339 N 7.08 0.71 0.09 4.34 0.13 -1.96 0.28 132.00 142.67 1iwa h PRO 339 Ca -0.42 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 1iwa h PRO 339 Cb 1.20 -0.16 0.03 0.00 0.13 0.00 0.00 31.00 32.20 1iwa h PRO 339 CO 0.90 0.47 -1.20 0.82 -0.23 0.00 0.00 178.00 178.76 1iwa h ILE 340 N 0.73 1.28 -0.38 -3.56 5.03 -1.92 -1.71 117.51 116.99 1iwa h ILE 340 Ca 0.53 -2.41 -0.03 0.00 -0.12 0.00 0.00 64.86 62.82 1iwa h ILE 340 Cb 0.76 2.61 -0.02 0.00 -3.03 0.00 0.00 36.82 37.15 1iwa h ILE 340 CO -0.36 0.74 0.12 0.40 -0.68 0.00 0.00 178.15 178.36 1iwa h ILE 341 N 0.31 1.21 -0.76 -0.67 1.08 -1.69 -2.31 117.51 114.68 1iwa h ILE 341 Ca -0.17 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1iwa h ILE 341 Cb 1.87 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 36.54 1iwa h ILE 341 CO 0.23 0.25 0.39 0.74 -0.69 0.00 0.00 178.15 179.07 1iwa h THR 342 N 0.47 1.23 -0.76 -0.27 2.02 -0.50 -0.33 112.91 114.77 1iwa h THR 342 Ca 0.12 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1iwa h THR 342 Cb 0.26 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1iwa h THR 342 CO -0.00 0.27 0.50 -0.09 0.37 0.00 0.00 175.52 176.56 1iwa h ARG 343 N 1.07 0.88 -0.43 6.66 2.43 -0.94 -1.23 114.38 122.82 1iwa h ARG 343 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1iwa h ARG 343 Cb 0.06 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1iwa h ARG 343 CO -0.04 0.58 0.27 0.78 -1.51 0.00 0.00 179.97 180.05 1iwa h GLY 344 N 0.90 0.61 0.81 2.80 0.00 -0.52 -1.89 103.07 105.78 1iwa h GLY 344 Ca 0.31 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1iwa h GLY 344 CO -0.09 0.24 0.07 0.74 0.00 0.00 0.00 176.54 177.50 1iwa h PHE 345 N 0.57 0.13 -0.61 5.60 0.05 -0.85 -1.87 116.94 119.96 1iwa h PHE 345 Ca 0.15 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.99 1iwa h PHE 345 Cb -0.03 -0.03 -0.04 0.00 2.00 0.00 0.00 35.95 37.86 1iwa h PHE 345 CO -0.04 0.06 0.36 1.88 -0.18 0.00 0.00 178.31 180.39 1iwa h TYR 346 N 0.17 0.67 -0.49 -0.55 -1.99 -1.05 -2.43 116.97 111.30 1iwa h TYR 346 Ca 0.10 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 1iwa h TYR 346 Cb 0.07 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1iwa h TYR 346 CO -0.13 0.37 0.16 0.87 -0.00 0.00 0.00 178.16 179.44 1iwa h LYS 347 N 0.70 0.76 -0.71 4.88 1.57 -1.16 -1.09 116.57 121.52 1iwa h LYS 347 Ca 0.25 -0.16 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 1iwa h LYS 347 Cb 0.06 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1iwa h LYS 347 CO -0.12 0.71 0.48 1.15 -0.57 0.00 0.00 179.45 181.10 1iwa h THR 348 N 0.66 0.81 0.03 -0.16 2.02 -0.90 0.81 112.91 116.18 1iwa h THR 348 Ca 0.16 -0.13 -0.29 0.00 0.77 0.00 0.00 66.41 66.92 1iwa h THR 348 Cb 0.26 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1iwa h THR 348 CO -0.01 0.07 -1.61 -0.07 0.37 0.00 0.00 175.52 174.28 1iwa h LEU 349 N 0.39 0.09 0.01 2.58 3.38 -1.05 -3.42 115.31 117.28 1iwa h LEU 349 Ca 0.34 -0.16 -0.40 0.00 0.09 0.00 0.00 57.88 57.75 1iwa h LEU 349 Cb 0.80 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1iwa h LEU 349 CO -0.10 1.14 -2.29 0.18 0.09 0.00 0.00 178.44 177.46 1iwa n LEU 350 N -3.19 2.24 -4.73 1.67 7.99 -0.45 -0.99 117.00 119.54 1iwa n LEU 350 Ca -0.16 0.23 -0.40 0.00 -0.01 0.00 0.00 56.01 55.68 1iwa n LEU 350 Cb 1.03 -0.89 0.02 0.00 -0.11 0.00 0.00 43.42 43.48 1iwa n LEU 350 CO 0.46 0.64 0.96 0.18 -1.51 0.00 0.00 177.39 178.11 1iwa n LEU 351 N -3.99 4.78 0.11 2.23 4.32 0.23 -4.79 117.00 119.90 1iwa n LEU 351 Ca -0.47 1.06 0.13 0.00 -0.02 0.00 0.00 56.01 56.71 1iwa n LEU 351 Cb 0.89 -1.55 0.37 0.00 -1.62 0.00 0.00 43.42 41.51 1iwa n LEU 351 CO 0.14 -0.52 0.82 1.55 -1.22 0.00 0.00 177.39 178.16 1iwa h PRO 352 N 1.91 0.00 -2.87 3.23 0.13 -1.94 -3.45 132.00 129.00 1iwa h PRO 352 Ca -0.50 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1iwa h PRO 352 Cb 1.29 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 1iwa h PRO 352 CO 0.59 0.00 -0.29 0.21 -0.23 0.00 0.00 178.00 178.28 1iwa s LYS 353 N -3.11 0.45 -0.07 0.86 2.20 -1.26 -2.20 119.74 116.60 1iwa s LYS 353 Ca 0.10 0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 1iwa s LYS 353 Cb 0.12 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1iwa s LYS 353 CO 0.61 -0.07 -0.01 -0.51 -0.36 0.00 0.00 175.35 175.02 1iwa s LEU 354 N 0.03 3.51 -0.09 5.43 1.02 0.11 -4.96 118.68 123.73 1iwa s LEU 354 Ca -0.01 0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.26 1iwa s LEU 354 Cb -0.03 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 1iwa s LEU 354 CO 0.01 0.36 -0.20 -1.61 0.02 0.00 0.00 176.35 174.93 1iwa s GLU 355 N -1.00 2.92 0.22 1.70 2.02 -1.26 -0.79 118.70 122.50 1iwa s GLU 355 Ca 0.14 -0.81 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 1iwa s GLU 355 Cb -0.11 -2.36 -0.15 0.00 0.10 0.00 0.00 34.13 31.60 1iwa s GLU 355 CO 0.04 0.31 1.10 -2.13 0.02 0.00 0.00 175.26 174.60 1iwa n ARG 356 N 3.17 1.22 -3.14 1.61 0.63 -1.24 -4.88 116.66 114.03 1iwa n ARG 356 Ca -0.18 0.43 0.04 0.00 -0.92 0.00 0.00 57.85 57.22 1iwa n ARG 356 Cb 0.52 -1.88 -0.00 0.00 0.45 0.00 0.00 32.46 31.56 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 -0.21 -1.34 0.45 6.15 3.84 0.11 -5.01 114.94 118.92 1iwa s ASN 357 Ca 0.68 -0.01 0.12 0.00 0.21 0.00 0.00 52.86 53.86 1iwa s ASN 357 Cb -0.80 1.81 1.02 0.00 -0.55 0.00 0.00 41.25 42.74 1iwa s ASN 357 CO 0.55 -0.23 2.06 -0.07 -2.79 0.00 0.00 177.10 176.62 1iwa h LEU 358 N 7.59 0.20 -1.23 3.21 -0.00 -1.93 0.16 115.31 123.30 1iwa h LEU 358 Ca -0.02 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 1iwa h LEU 358 Cb 1.19 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 1iwa h LEU 358 CO 0.09 0.20 -0.08 1.56 -0.00 0.00 0.00 178.44 180.21 1iwa h GLN 359 N 0.22 0.44 0.01 1.13 4.20 -1.95 -2.96 115.11 116.19 1iwa h GLN 359 Ca 0.06 -0.11 -0.28 0.00 0.06 0.00 0.00 58.65 58.38 1iwa h GLN 359 Cb 0.08 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1iwa h GLN 359 CO -0.00 0.53 -1.58 0.93 -0.67 0.00 0.00 178.83 178.03 1iwa h GLU 360 N 0.41 0.01 0.00 1.46 5.08 -1.59 -3.43 114.58 116.52 1iwa h GLU 360 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iwa h GLU 360 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1iwa h GLU 360 CO 0.02 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 1iwa n GLY 361 N 1.53 1.09 3.39 -3.84 0.00 -0.04 -4.45 105.19 102.87 1iwa n GLY 361 Ca -0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 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 5.53 0.34 0.99 1.02 -0.83 -4.81 118.68 120.92 1iwa s LEU 362 Ca 0.00 -1.80 0.26 0.00 0.02 0.00 0.00 54.13 52.61 1iwa s LEU 362 Cb 0.00 -2.31 0.83 0.00 0.02 0.00 0.00 46.19 44.73 1iwa s LEU 362 CO 0.00 -1.02 1.76 -0.26 0.02 0.00 0.00 176.35 176.85 1iwa h PHE 363 N 8.85 0.00 -3.81 0.29 -1.00 -1.93 0.32 116.94 119.66 1iwa h PHE 363 Ca -0.11 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.98 1iwa h PHE 363 Cb 1.06 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.42 1iwa h PHE 363 CO 0.96 0.00 -0.84 -0.06 -1.61 0.00 0.00 178.31 176.76 1iwa s PHE 364 N -3.28 2.41 0.19 -0.55 0.08 -1.26 -4.85 117.98 110.71 1iwa s PHE 364 Ca 0.07 -0.33 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 1iwa s PHE 364 Cb 0.09 -1.29 -0.08 0.00 -0.57 0.00 0.00 43.02 41.17 1iwa s PHE 364 CO 0.56 0.36 0.79 -0.51 -0.10 0.00 0.00 175.22 176.33 1iwa s ASP 365 N -2.11 7.37 -0.21 1.36 -0.00 -1.26 -3.68 116.67 118.13 1iwa s ASP 365 Ca 0.16 1.66 -0.04 0.00 -0.00 0.00 0.00 52.55 54.33 1iwa s ASP 365 Cb -0.10 -2.50 0.11 0.00 -0.00 0.00 0.00 42.92 40.42 1iwa s ASP 365 CO 0.08 0.17 0.35 -0.32 -0.00 0.00 0.00 175.17 175.45 1iwa s MET 366 N -1.28 0.29 0.51 8.23 1.75 0.03 -4.95 119.30 123.88 1iwa s MET 366 Ca 0.38 0.62 -0.21 0.00 -1.25 0.00 0.00 55.69 55.23 1iwa s MET 366 Cb -0.22 -0.36 -0.06 0.00 2.84 0.00 0.00 34.83 37.02 1iwa s MET 366 CO 0.26 -0.52 1.14 -1.21 -0.65 0.00 0.00 175.02 174.04 1iwa s GLU 367 N 2.51 3.50 -0.05 4.11 0.41 -1.26 0.09 118.70 128.01 1iwa s GLU 367 Ca 0.08 1.65 0.17 0.00 -0.41 0.00 0.00 54.97 56.46 1iwa s GLU 367 Cb -0.14 -2.14 0.57 0.00 -1.78 0.00 0.00 34.13 30.64 1iwa s GLU 367 CO -0.14 -0.73 1.48 0.91 -0.49 0.00 0.00 175.26 176.29 1iwa n TRP 368 N -1.03 1.00 -2.41 1.61 7.02 -0.94 -4.82 117.44 117.88 1iwa n TRP 368 Ca 0.10 -0.57 -0.13 0.00 -1.02 0.00 0.00 57.50 55.88 1iwa n TRP 368 Cb 0.50 -0.12 -0.01 0.00 -2.42 0.00 0.00 31.31 29.27 1iwa n TRP 368 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iwa n ALA 369 N 0.97 -0.75 -1.44 6.99 0.00 -1.26 -1.44 120.51 123.57 1iwa n ALA 369 Ca 0.21 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 1iwa n ALA 369 Cb 0.68 -1.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.79 -5.46 -4.77 0.00 7.64 -1.26 -4.91 113.62 103.08 1iwa n SER 370 Ca -0.15 0.38 -0.39 0.00 1.01 0.00 0.00 58.87 59.71 1iwa n SER 370 Cb 0.61 -4.30 -0.02 0.00 -1.01 0.00 0.00 64.21 59.50 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 -3.46 4.28 0.91 -3.43 1.43 -0.52 -4.96 118.68 112.93 1iwa s LEU 371 Ca 0.00 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 1iwa s LEU 371 Cb 0.00 -3.88 0.09 0.00 0.03 0.00 0.00 46.19 42.43 1iwa s LEU 371 CO 0.00 -0.63 0.80 0.54 0.23 0.00 0.00 176.35 177.29 1iwa n ARG 372 N 0.35 -0.29 -3.07 1.70 1.74 -1.26 -4.97 116.66 110.86 1iwa n ARG 372 Ca 0.03 -0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1iwa n ARG 372 Cb 0.45 -2.13 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 1iwa n ARG 372 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1iwa s LYS 373 N -4.06 4.28 -0.04 5.56 1.02 -1.26 -4.32 119.74 120.91 1iwa s LYS 373 Ca 0.63 0.91 -0.12 0.00 0.02 0.00 0.00 55.97 57.41 1iwa s LYS 373 Cb -0.23 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1iwa s LYS 373 CO 0.61 0.38 0.31 0.08 -0.92 0.00 0.00 175.35 175.81 1iwa s VAL 374 N -1.53 5.21 -0.37 3.17 1.01 -0.16 -2.11 120.40 125.61 1iwa s VAL 374 Ca 0.44 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1iwa s VAL 374 Cb -0.17 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1iwa s VAL 374 CO 0.21 0.59 0.80 -0.32 0.00 0.00 0.00 175.10 176.38 1iwa s MET 375 N -1.07 3.75 0.63 2.72 1.75 -0.36 -4.26 119.30 122.45 1iwa s MET 375 Ca 0.21 0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 54.80 1iwa s MET 375 Cb -0.15 -3.81 -0.02 0.00 2.84 0.00 0.00 34.83 33.69 1iwa s MET 375 CO 0.10 -0.87 1.12 -1.25 -0.65 0.00 0.00 175.02 173.47 1iwa s PRO 376 N 3.15 2.95 -0.07 4.11 0.04 -1.26 -2.01 135.00 141.91 1iwa s PRO 376 Ca 0.32 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1iwa s PRO 376 Cb -0.13 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1iwa s PRO 376 CO 0.17 -1.15 -0.12 0.08 0.04 0.00 0.00 177.00 176.03 1iwa s VAL 377 N -2.15 1.13 -0.30 -0.36 1.01 -0.04 -1.51 120.40 118.17 1iwa s VAL 377 Ca 0.69 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1iwa s VAL 377 Cb -0.22 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1iwa s VAL 377 CO 0.37 0.35 0.13 0.00 0.00 0.00 0.00 175.10 175.95 1iwa s ALA 378 N 0.69 3.23 -0.08 5.51 0.00 -0.38 -1.41 121.76 129.31 1iwa s ALA 378 Ca -0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.37 1iwa s ALA 378 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1iwa s ALA 378 CO 0.03 -0.83 0.27 0.45 0.00 0.00 0.00 175.76 175.69 1iwa s SER 379 N 1.60 -0.25 0.00 0.00 0.15 -1.26 -1.03 113.70 112.91 1iwa s SER 379 Ca 0.05 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1iwa s SER 379 Cb -0.17 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1iwa s SER 379 CO 0.05 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1iwa n GLY 380 N 2.53 2.18 2.33 9.45 0.00 -1.26 -4.71 105.19 115.70 1iwa n GLY 380 Ca -0.15 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 0.02 0.39 3.94 -0.02 0.00 -1.26 -1.16 105.19 107.10 1iwa n GLY 381 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.65 5.20 0.04 -0.61 -4.36 -1.26 -4.31 121.20 113.25 1iwa s ILE 382 Ca 0.00 -0.87 -0.14 0.00 -0.26 0.00 0.00 60.65 59.38 1iwa s ILE 382 Cb 0.00 -3.75 0.02 0.00 1.25 0.00 0.00 42.46 39.98 1iwa s ILE 382 CO 0.00 -0.21 0.30 -1.38 0.24 0.00 0.00 174.94 173.90 1iwa s HIS 383 N -1.86 -0.11 0.32 1.37 -3.43 -1.26 -4.37 115.29 105.93 1iwa s HIS 383 Ca 0.34 0.01 -0.29 0.00 -0.80 0.00 0.00 55.06 54.32 1iwa s HIS 383 Cb -0.10 0.10 -0.13 0.00 -1.43 0.00 0.00 32.58 31.02 1iwa s HIS 383 CO 0.28 -0.49 1.33 0.00 -2.00 0.00 0.00 174.74 173.86 1iwa n ALA 384 N 0.68 1.31 0.00 -1.38 0.00 -1.26 -1.40 120.51 118.45 1iwa n ALA 384 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1iwa n ALA 384 Cb 0.59 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1iwa n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwa n GLY 385 N 1.16 1.05 0.00 0.00 0.00 -1.26 -4.67 105.19 101.46 1iwa n GLY 385 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.56 2.55 -0.31 1.61 6.02 -0.49 -4.83 117.38 121.36 1iwa n GLN 386 Ca 0.00 -0.23 -0.03 0.00 -0.01 0.00 0.00 57.00 56.73 1iwa n GLN 386 Cb 0.00 -0.70 0.02 0.00 1.02 0.00 0.00 30.24 30.57 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 0.00 -0.07 -0.53 -1.09 4.05 -1.87 0.66 114.93 116.07 1iwa h MET 387 Ca 0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 1iwa h MET 387 Cb 0.03 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.77 1iwa h MET 387 CO 0.00 -0.05 0.11 1.12 0.23 0.00 0.00 176.91 178.33 1iwa h HIS 388 N -0.07 0.18 0.00 1.39 2.07 -1.88 0.53 115.15 117.37 1iwa h HIS 388 Ca 0.29 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.75 1iwa h HIS 388 Cb 0.57 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 1iwa h HIS 388 CO -0.79 -0.01 -0.42 -0.56 -3.07 0.00 0.00 177.93 173.09 1iwa h GLN 389 N 0.25 0.00 0.12 5.12 3.07 -1.53 -0.20 115.11 121.95 1iwa h GLN 389 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.01 1iwa h GLN 389 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1iwa h GLN 389 CO -0.35 0.42 -0.06 -0.07 0.09 0.00 0.00 178.83 178.86 1iwa h LEU 390 N 0.00 -0.14 -0.79 0.06 3.38 0.21 -1.29 115.31 116.74 1iwa h LEU 390 Ca -0.00 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1iwa h LEU 390 Cb 0.98 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1iwa h LEU 390 CO 0.05 0.24 0.43 0.40 0.09 0.00 0.00 178.44 179.66 1iwa h ILE 391 N -0.54 1.23 -0.51 1.22 1.08 -0.88 0.11 117.51 119.22 1iwa h ILE 391 Ca -0.02 -0.58 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1iwa h ILE 391 Cb 0.43 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 1iwa h ILE 391 CO 0.03 0.26 0.33 -0.74 -0.69 0.00 0.00 178.15 177.33 1iwa h HIS 392 N 1.09 0.61 0.06 1.37 -0.00 -0.93 -0.04 115.15 117.32 1iwa h HIS 392 Ca 0.28 0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.47 1iwa h HIS 392 Cb 0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 1iwa h HIS 392 CO 0.00 0.37 -0.98 1.88 -0.00 0.00 0.00 177.93 179.21 1iwa h TYR 393 N 0.66 0.23 0.00 5.26 0.05 -1.10 -3.40 116.97 118.68 1iwa h TYR 393 Ca 0.20 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1iwa h TYR 393 Cb -0.03 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1iwa h TYR 393 CO -0.05 1.38 -0.87 -0.07 -1.05 0.00 0.00 178.16 177.50 1iwa h LEU 394 N -0.65 0.00 0.00 3.88 3.38 -0.88 -3.46 115.31 117.58 1iwa h LEU 394 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1iwa h LEU 394 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1iwa h LEU 394 CO -0.01 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1iwa n GLY 395 N 1.24 -1.49 0.14 0.83 0.00 -0.03 -4.59 105.19 101.29 1iwa n GLY 395 Ca -0.02 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 0.32 -4.98 1.61 4.81 -1.95 -3.44 114.58 110.95 1iwa h GLU 396 Ca 0.00 -0.55 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 1iwa h GLU 396 Cb 0.00 0.20 -0.18 0.00 0.63 0.00 0.00 28.75 29.41 1iwa h GLU 396 CO 0.00 1.26 0.56 -0.51 -0.73 0.00 0.00 179.01 179.59 1iwa s ASP 397 N -7.17 6.42 -0.16 1.04 1.01 -1.26 -2.63 116.67 113.93 1iwa s ASP 397 Ca -0.18 -1.68 -0.30 0.00 0.71 0.00 0.00 52.55 51.09 1iwa s ASP 397 Cb 0.05 -2.37 0.13 0.00 1.01 0.00 0.00 42.92 41.74 1iwa s ASP 397 CO 0.81 -1.14 1.02 0.54 0.21 0.00 0.00 175.17 176.61 1iwa s VAL 398 N 2.88 0.00 -0.39 -1.27 0.11 -1.26 -4.28 120.40 116.19 1iwa s VAL 398 Ca 0.24 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.18 1iwa s VAL 398 Cb -0.12 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1iwa s VAL 398 CO -0.01 0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.30 1iwa s VAL 399 N -1.28 4.67 -0.36 2.04 1.01 -0.57 -0.61 120.40 125.31 1iwa s VAL 399 Ca -0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1iwa s VAL 399 Cb -0.01 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1iwa s VAL 399 CO 0.00 -0.28 0.99 -0.76 0.00 0.00 0.00 175.10 175.05 1iwa s LEU 400 N 1.57 3.94 -0.23 3.92 1.02 0.21 -1.26 118.68 127.85 1iwa s LEU 400 Ca 0.02 0.72 -0.07 0.00 0.02 0.00 0.00 54.13 54.83 1iwa s LEU 400 Cb -0.20 -3.37 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 1iwa s LEU 400 CO 0.07 -0.90 0.05 -1.10 0.02 0.00 0.00 176.35 174.49 1iwa s GLN 401 N 3.61 3.66 -0.38 1.70 -0.21 -0.20 0.52 119.66 128.36 1iwa s GLN 401 Ca 0.41 -0.48 -0.01 0.00 0.02 0.00 0.00 55.36 55.30 1iwa s GLN 401 Cb -0.12 -3.25 0.10 0.00 1.00 0.00 0.00 33.01 30.74 1iwa s GLN 401 CO 0.19 -0.12 0.13 -0.06 -2.12 0.00 0.00 175.29 173.31 1iwa s PHE 402 N 1.40 3.59 0.00 0.91 0.40 0.21 -4.29 117.98 120.20 1iwa s PHE 402 Ca 0.05 -2.49 0.00 0.00 -0.60 0.00 0.00 56.93 53.89 1iwa s PHE 402 Cb -0.15 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.40 1iwa s PHE 402 CO 0.03 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.41 1iwa n GLY 403 N 4.51 1.07 0.24 4.36 0.00 -1.26 -3.90 105.19 110.21 1iwa n GLY 403 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -0.20 -0.02 0.00 -1.91 -1.89 103.07 99.06 1iwa h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iwa h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iwa n GLY 405 N -0.61 -0.41 1.55 4.60 0.00 -1.26 -1.09 105.19 107.97 1iwa n GLY 405 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.38 0.41 0.22 2.61 -1.04 -0.79 -4.79 114.28 110.51 1iwa n THR 406 Ca 0.00 0.13 0.09 0.00 -2.04 0.00 0.00 64.05 62.24 1iwa n THR 406 Cb 0.04 -1.00 0.46 0.00 -1.82 0.00 0.00 70.33 68.01 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 0.62 -0.02 12.58 2.04 -1.44 -2.95 117.51 128.35 1iwa h ILE 407 Ca 0.00 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1iwa h ILE 407 Cb 0.14 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1iwa h ILE 407 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.00 1iwa n GLY 408 N 0.09 -0.86 3.70 5.37 0.00 -0.25 -4.74 105.19 108.50 1iwa n GLY 408 Ca -0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.97 3.41 0.57 1.61 5.04 -1.11 -4.94 115.29 117.90 1iwa s HIS 409 Ca 0.18 1.35 0.26 0.00 -1.54 0.00 0.00 55.06 55.32 1iwa s HIS 409 Cb 0.09 -3.36 1.64 0.00 0.04 0.00 0.00 32.58 30.99 1iwa s HIS 409 CO 0.14 -1.04 2.20 -1.00 -2.34 0.00 0.00 174.74 172.70 1iwa h PRO 410 N 6.99 0.00 -0.57 2.88 0.13 -1.92 -2.45 132.00 137.06 1iwa h PRO 410 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1iwa h PRO 410 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iwa h PRO 410 CO 0.82 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.34 1iwa n ASP 411 N -4.04 2.99 0.00 1.44 10.43 -1.26 -5.03 116.55 121.08 1iwa n ASP 411 Ca -0.02 -2.23 0.00 0.00 2.57 0.00 0.00 54.79 55.11 1iwa n ASP 411 Cb 0.14 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.67 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 0.87 1.86 0.20 0.44 0.00 -0.92 -4.44 105.19 103.19 1iwa n GLY 412 Ca 0.16 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 1.18 -0.36 -0.61 2.04 -1.81 -1.50 117.51 116.45 1iwa h ILE 413 Ca 0.00 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1iwa h ILE 413 Cb 0.00 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1iwa h ILE 413 CO 0.00 0.20 0.16 1.56 0.00 0.00 0.00 178.15 180.07 1iwa h GLN 414 N 0.55 0.32 -0.63 2.37 4.20 -1.87 -0.74 115.11 119.31 1iwa h GLN 414 Ca 0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1iwa h GLN 414 Cb 0.13 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1iwa h GLN 414 CO -0.02 0.21 0.40 0.00 -0.67 0.00 0.00 178.83 178.76 1iwa h ALA 415 N 1.20 0.80 -0.85 3.87 0.00 -1.74 -0.64 119.26 121.90 1iwa h ALA 415 Ca 0.16 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1iwa h ALA 415 Cb 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1iwa h ALA 415 CO -0.13 0.25 0.56 0.78 0.00 0.00 0.00 179.25 180.71 1iwa h GLY 416 N 0.86 1.21 0.93 0.00 0.00 -0.64 -1.28 103.07 104.14 1iwa h GLY 416 Ca 0.23 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1iwa h GLY 416 CO -0.05 0.32 -0.34 0.00 0.00 0.00 0.00 176.54 176.47 1iwa h ALA 417 N 1.52 0.34 -0.87 3.60 0.00 -0.47 -3.17 119.26 120.21 1iwa h ALA 417 Ca 0.35 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1iwa h ALA 417 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1iwa h ALA 417 CO -0.12 0.39 0.43 1.15 0.00 0.00 0.00 179.25 181.11 1iwa h THR 418 N 0.31 1.26 -0.95 0.00 2.02 -0.21 -2.19 112.91 113.15 1iwa h THR 418 Ca 0.02 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1iwa h THR 418 Cb 0.93 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1iwa h THR 418 CO 0.08 0.31 0.62 0.00 0.37 0.00 0.00 175.52 176.90 1iwa h ALA 419 N 1.24 1.44 -0.03 6.16 0.00 -1.25 -1.38 119.26 125.43 1iwa h ALA 419 Ca 0.30 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 1iwa h ALA 419 Cb 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1iwa h ALA 419 CO -0.04 0.43 -0.94 -0.91 0.00 0.00 0.00 179.25 177.79 1iwa h ASN 420 N 1.13 0.74 -0.67 0.00 2.35 -1.46 -2.18 115.58 115.48 1iwa h ASN 420 Ca 0.40 -0.57 -0.08 0.00 -0.55 0.00 0.00 56.30 55.51 1iwa h ASN 420 Cb 0.14 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1iwa h ASN 420 CO -0.15 1.36 0.13 -0.09 -1.65 0.00 0.00 177.43 177.03 1iwa h ARG 421 N 0.35 1.11 -0.19 0.81 9.65 -0.97 -1.04 114.38 124.08 1iwa h ARG 421 Ca -0.09 -0.28 -0.16 0.00 -1.10 0.00 0.00 59.98 58.34 1iwa h ARG 421 Cb 1.57 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 1iwa h ARG 421 CO 0.18 1.00 -0.52 0.28 2.80 0.00 0.00 179.97 183.71 1iwa h VAL 422 N 1.04 1.31 -0.35 0.20 2.07 -1.31 -2.33 116.25 116.87 1iwa h VAL 422 Ca 0.21 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 66.01 1iwa h VAL 422 Cb 0.41 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1iwa h VAL 422 CO 0.01 0.55 0.16 0.00 0.02 0.00 0.00 177.57 178.31 1iwa h ALA 423 N 0.58 0.43 0.72 1.67 0.00 -1.23 -1.27 119.26 120.16 1iwa h ALA 423 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1iwa h ALA 423 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1iwa h ALA 423 CO 0.11 -0.21 -0.50 1.25 0.00 0.00 0.00 179.25 179.89 1iwa h LEU 424 N 0.34 -1.31 -0.98 0.00 5.85 -1.16 -1.60 115.31 116.45 1iwa h LEU 424 Ca 0.15 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.02 1iwa h LEU 424 Cb 0.08 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1iwa h LEU 424 CO -0.12 -0.74 0.63 -0.33 -0.34 0.00 0.00 178.44 177.54 1iwa h GLU 425 N -1.17 1.10 -0.71 1.25 5.08 -1.36 -1.08 114.58 117.70 1iwa h GLU 425 Ca -0.10 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1iwa h GLU 425 Cb 0.95 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1iwa h GLU 425 CO 0.06 0.73 0.32 0.00 -1.00 0.00 0.00 179.01 179.11 1iwa h ALA 426 N 1.45 0.92 -0.47 3.43 0.00 -1.13 0.59 119.26 124.05 1iwa h ALA 426 Ca 0.43 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1iwa h ALA 426 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1iwa h ALA 426 CO -0.18 0.50 -0.10 1.98 0.00 0.00 0.00 179.25 181.45 1iwa h MET 427 N 1.00 0.89 0.00 0.00 1.85 -0.25 -0.83 114.93 117.59 1iwa h MET 427 Ca 0.24 -0.33 -0.08 0.00 -0.61 0.00 0.00 59.70 58.92 1iwa h MET 427 Cb 0.15 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1iwa h MET 427 CO -0.03 0.98 -0.38 -0.84 -0.40 0.00 0.00 176.91 176.24 1iwa h ILE 428 N 0.73 0.71 -0.02 1.77 -0.00 -1.12 -1.09 117.51 118.50 1iwa h ILE 428 Ca 0.12 -1.80 -0.00 0.00 -0.00 0.00 0.00 64.86 63.18 1iwa h ILE 428 Cb 0.64 2.20 -0.00 0.00 -0.00 0.00 0.00 36.82 39.66 1iwa h ILE 428 CO 0.04 0.37 0.01 0.25 -0.00 0.00 0.00 178.15 178.82 1iwa h LEU 429 N 0.00 0.02 -0.55 0.16 7.12 -0.58 0.22 115.31 121.71 1iwa h LEU 429 Ca -0.00 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.81 1iwa h LEU 429 Cb 1.17 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.27 1iwa h LEU 429 CO 0.05 0.21 0.33 0.00 -0.13 0.00 0.00 178.44 178.90 1iwa h ALA 430 N 0.82 0.69 -0.05 1.25 0.00 -1.04 -1.00 119.26 119.93 1iwa h ALA 430 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1iwa h ALA 430 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1iwa h ALA 430 CO -0.00 0.17 -0.19 -0.09 0.00 0.00 0.00 179.25 179.14 1iwa h ARG 431 N 0.73 -0.28 -0.10 0.00 2.43 -0.91 -0.56 114.38 115.69 1iwa h ARG 431 Ca 0.20 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1iwa h ARG 431 Cb -0.02 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1iwa h ARG 431 CO -0.04 -0.18 0.09 -0.91 -1.51 0.00 0.00 179.97 177.42 1iwa h ASN 432 N -0.29 0.00 -0.03 -3.80 4.21 -0.16 0.91 115.58 116.43 1iwa h ASN 432 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1iwa h ASN 432 Cb 0.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1iwa h ASN 432 CO -0.22 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.30 1iwa n GLU 433 N -4.19 1.09 -1.63 0.81 1.02 -0.25 -4.88 120.64 112.61 1iwa n GLU 433 Ca -0.01 -0.14 -0.08 0.00 -0.02 0.00 0.00 57.16 56.91 1iwa n GLU 433 Cb 0.20 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.60 -3.59 -4.86 1.62 2.85 0.31 -5.03 115.26 105.97 1iwa n ASN 434 Ca 0.12 0.12 -0.31 0.00 -0.11 0.00 0.00 54.58 54.40 1iwa n ASN 434 Cb 0.09 -2.28 -0.04 0.00 1.24 0.00 0.00 39.78 38.79 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 -3.44 3.86 -1.40 1.20 0.52 -0.98 -4.93 118.95 113.78 1iwa s ARG 435 Ca 0.00 0.63 -0.13 0.00 -0.52 0.00 0.00 55.73 55.71 1iwa s ARG 435 Cb 0.00 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1iwa s ARG 435 CO 0.00 -0.06 2.44 -3.47 0.02 0.00 0.00 175.30 174.22 1iwa n ASP 436 N -1.22 5.48 0.11 0.23 4.64 -1.26 -4.65 116.55 119.88 1iwa n ASP 436 Ca 0.04 -2.69 0.20 0.00 -1.38 0.00 0.00 54.79 50.96 1iwa n ASP 436 Cb 0.54 -1.52 0.73 0.00 -1.04 0.00 0.00 41.12 39.82 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 5.88 0.00 -0.37 -0.67 -0.00 -1.91 -0.67 116.97 119.24 1iwa h TYR 437 Ca 0.65 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 59.23 1iwa h TYR 437 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.20 1iwa h TYR 437 CO 1.62 0.00 -0.38 1.25 -0.00 0.00 0.00 178.16 180.65 1iwa h LEU 438 N 0.00 0.93 0.00 0.10 7.12 -1.85 0.12 115.31 121.74 1iwa h LEU 438 Ca 0.19 -0.42 -0.00 0.00 0.13 0.00 0.00 57.88 57.77 1iwa h LEU 438 Cb 1.15 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.02 1iwa h LEU 438 CO -0.00 1.20 -0.00 0.74 -0.13 0.00 0.00 178.44 180.25 1iwa h THR 439 N 0.72 1.47 -0.06 1.05 2.02 -1.58 -3.32 112.91 113.20 1iwa h THR 439 Ca 0.06 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.17 1iwa h THR 439 Cb 0.96 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1iwa h THR 439 CO 0.09 0.49 0.00 -0.62 0.37 0.00 0.00 175.52 175.85 1iwa n GLU 440 N -4.65 1.15 0.09 6.66 1.02 -0.51 -4.44 120.64 119.95 1iwa n GLU 440 Ca -0.08 -0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 56.71 1iwa n GLU 440 Cb 0.39 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 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 5.84 -1.18 0.10 0.62 0.00 -0.86 -0.91 103.07 106.68 1iwa h GLY 441 Ca 0.00 0.62 0.19 0.00 0.00 0.00 0.00 47.33 48.14 1iwa h GLY 441 CO 0.00 -0.31 0.55 -2.55 0.00 0.00 0.00 176.54 174.24 1iwa h PRO 442 N -0.60 0.67 -0.49 4.80 0.11 -1.85 -0.58 132.00 134.05 1iwa h PRO 442 Ca -0.00 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 1iwa h PRO 442 Cb 0.60 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1iwa h PRO 442 CO -0.23 0.44 -0.06 0.93 -0.21 0.00 0.00 178.00 178.87 1iwa h GLU 443 N 0.69 0.91 -0.50 1.05 4.39 -1.79 -1.33 114.58 118.00 1iwa h GLU 443 Ca 0.56 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.95 1iwa h GLU 443 Cb 0.89 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1iwa h GLU 443 CO -0.40 0.97 0.31 0.82 -1.16 0.00 0.00 179.01 179.55 1iwa h ILE 444 N 0.77 1.09 -0.56 3.13 2.04 0.27 0.15 117.51 124.40 1iwa h ILE 444 Ca 0.13 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1iwa h ILE 444 Cb 0.60 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1iwa h ILE 444 CO 0.04 0.12 0.11 -0.07 0.00 0.00 0.00 178.15 178.34 1iwa h LEU 445 N 0.63 0.87 -1.21 1.44 3.38 -1.16 -2.01 115.31 117.25 1iwa h LEU 445 Ca 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1iwa h LEU 445 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1iwa h LEU 445 CO -0.06 0.89 0.14 -0.09 0.09 0.00 0.00 178.44 179.41 1iwa h ARG 446 N 0.80 0.69 -0.28 1.13 2.43 -0.76 0.49 114.38 118.89 1iwa h ARG 446 Ca 0.17 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1iwa h ARG 446 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1iwa h ARG 446 CO 0.01 0.61 -0.14 1.49 -1.51 0.00 0.00 179.97 180.42 1iwa h GLU 447 N 0.68 0.59 -0.10 0.20 4.57 -0.38 -2.74 114.58 117.40 1iwa h GLU 447 Ca 0.16 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1iwa h GLU 447 Cb 0.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1iwa h GLU 447 CO -0.01 0.83 -0.43 0.00 -1.18 0.00 0.00 179.01 178.23 1iwa h ALA 448 N 0.74 1.10 0.00 2.92 0.00 -1.03 -2.40 119.26 120.59 1iwa h ALA 448 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iwa h ALA 448 Cb 0.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iwa h ALA 448 CO 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 1iwa h ALA 449 N 1.37 1.01 -0.59 0.00 0.00 -0.75 -2.75 119.26 117.55 1iwa h ALA 449 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1iwa h ALA 449 Cb 0.84 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1iwa h ALA 449 CO 0.07 0.02 0.40 0.87 0.00 0.00 0.00 179.25 180.60 1iwa h LYS 450 N 0.00 0.43 -0.13 0.00 1.57 -1.13 -2.52 116.57 114.80 1iwa h LYS 450 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iwa h LYS 450 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1iwa h LYS 450 CO 0.00 0.29 0.00 2.41 -0.57 0.00 0.00 179.45 181.58 1iwa n THR 451 N -4.47 0.29 -3.75 -0.16 -1.04 -1.05 -4.90 114.28 99.20 1iwa n THR 451 Ca 0.09 -0.64 -0.29 0.00 -2.04 0.00 0.00 64.05 61.17 1iwa n THR 451 Cb 0.34 1.04 -0.16 0.00 -1.82 0.00 0.00 70.33 69.73 1iwa n THR 451 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iwa h GLY 453 N 8.17 0.18 -0.24 0.00 0.00 -1.91 -2.11 103.07 107.17 1iwa h GLY 453 Ca -0.16 0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.34 1iwa h GLY 453 CO 0.39 -0.08 -0.22 0.00 0.00 0.00 0.00 176.54 176.63 1iwa h ALA 454 N 1.22 0.20 -0.27 3.60 0.00 -1.93 0.56 119.26 122.64 1iwa h ALA 454 Ca 0.11 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1iwa h ALA 454 Cb 0.16 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1iwa h ALA 454 CO -0.22 -0.54 0.11 1.25 0.00 0.00 0.00 179.25 179.86 1iwa h LEU 455 N -0.09 0.36 -0.57 0.00 5.85 -1.79 -1.04 115.31 118.04 1iwa h LEU 455 Ca 0.26 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1iwa h LEU 455 Cb 0.49 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1iwa h LEU 455 CO -0.62 0.41 0.04 -0.09 -0.34 0.00 0.00 178.44 177.84 1iwa h ARG 456 N 0.29 0.15 -0.48 1.25 2.43 -0.57 0.31 114.38 117.75 1iwa h ARG 456 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1iwa h ARG 456 Cb 0.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1iwa h ARG 456 CO -0.01 0.10 0.20 1.15 -1.51 0.00 0.00 179.97 179.90 1iwa h THR 457 N 0.15 1.21 -0.59 0.20 2.02 -0.65 -2.21 112.91 113.04 1iwa h THR 457 Ca 0.29 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1iwa h THR 457 Cb 0.45 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1iwa h THR 457 CO -0.45 0.24 0.03 0.00 0.37 0.00 0.00 175.52 175.71 1iwa h ALA 458 N 1.04 0.94 -0.47 6.16 0.00 0.02 -0.48 119.26 126.47 1iwa h ALA 458 Ca 0.16 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1iwa h ALA 458 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1iwa h ALA 458 CO -0.01 0.64 -0.04 -0.07 0.00 0.00 0.00 179.25 179.77 1iwa h LEU 459 N 0.93 0.78 -0.04 0.00 3.38 -0.27 -2.69 115.31 117.41 1iwa h LEU 459 Ca 0.17 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1iwa h LEU 459 Cb 0.49 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1iwa h LEU 459 CO 0.02 0.86 -0.45 0.44 0.09 0.00 0.00 178.44 179.41 1iwa h ASP 460 N 0.74 0.45 -0.27 -0.43 3.32 -1.18 -2.72 116.42 116.33 1iwa h ASP 460 Ca 0.14 -0.71 0.06 0.00 0.02 0.00 0.00 57.03 56.53 1iwa h ASP 460 Cb 0.50 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1iwa h ASP 460 CO 0.03 1.10 -0.08 0.25 -1.72 0.00 0.00 179.24 178.82 1iwa h LEU 461 N -0.15 -0.28 -3.74 1.55 6.46 -1.03 -2.88 115.31 115.24 1iwa h LEU 461 Ca -0.05 0.09 -0.48 0.00 -0.12 0.00 0.00 57.88 57.32 1iwa h LEU 461 Cb 1.14 0.18 -0.28 0.00 -0.73 0.00 0.00 40.66 40.97 1iwa h LEU 461 CO 0.09 -0.10 0.11 0.79 -0.62 0.00 0.00 178.44 178.71 1iwa n TRP 462 N -5.25 2.45 0.00 1.25 8.01 -1.02 -4.90 117.44 117.98 1iwa n TRP 462 Ca -0.01 -2.26 0.00 0.00 -1.31 0.00 0.00 57.50 53.93 1iwa n TRP 462 Cb 0.17 -0.81 0.00 0.00 -2.01 0.00 0.00 31.31 28.66 1iwa n TRP 462 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1iwa n LYS 463 N -0.95 0.00 -1.32 -0.99 4.81 -1.02 -2.78 118.16 115.90 1iwa n LYS 463 Ca 0.49 0.43 -0.33 0.00 -0.87 0.00 0.00 58.31 58.03 1iwa n LYS 463 Cb 0.98 -0.88 0.09 0.00 0.02 0.00 0.00 35.03 35.24 1iwa n LYS 463 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1iwa n ASP 464 N -0.92 7.11 -4.67 3.14 10.43 -1.26 -4.95 116.55 125.43 1iwa n ASP 464 Ca 0.00 -3.76 -0.43 0.00 2.57 0.00 0.00 54.79 53.17 1iwa n ASP 464 Cb 0.00 -0.95 -0.02 0.00 1.84 0.00 0.00 41.12 41.98 1iwa n ASP 464 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1iwa s ILE 465 N -4.60 4.42 0.08 0.53 -1.09 -1.12 -5.00 121.20 114.43 1iwa s ILE 465 Ca 0.64 1.72 -0.03 0.00 -2.23 0.00 0.00 60.65 60.75 1iwa s ILE 465 Cb 0.50 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1iwa s ILE 465 CO 0.01 -0.12 0.04 0.28 -1.23 0.00 0.00 174.94 173.92 1iwa s THR 466 N 3.11 0.17 -0.54 2.92 -1.32 -1.26 -5.06 115.64 113.67 1iwa s THR 466 Ca 0.52 -1.72 0.05 0.00 -1.21 0.00 0.00 61.69 59.32 1iwa s THR 466 Cb -0.20 -1.65 0.19 0.00 -1.51 0.00 0.00 72.50 69.33 1iwa s THR 466 CO 0.14 -0.78 0.47 0.49 -2.21 0.00 0.00 174.62 172.73 1iwa n PHE 467 N 0.02 1.15 -3.14 9.09 3.72 -1.26 -5.05 117.46 121.98 1iwa n PHE 467 Ca -0.12 -3.79 -0.45 0.00 -0.05 0.00 0.00 57.45 53.04 1iwa n PHE 467 Cb 0.62 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1iwa n PHE 467 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1iwa s ASN 468 N -0.94 6.38 0.04 4.37 0.02 -1.26 -4.88 114.94 118.66 1iwa s ASN 468 Ca 0.31 -1.84 0.02 0.00 -1.02 0.00 0.00 52.86 50.33 1iwa s ASN 468 Cb 0.04 -2.29 -0.02 0.00 0.02 0.00 0.00 41.25 39.00 1iwa s ASN 468 CO -0.16 -0.97 -0.07 -0.31 0.02 0.00 0.00 177.10 175.61 1iwa s TYR 469 N 2.07 0.56 0.22 2.20 1.51 -1.26 -5.12 117.35 117.53 1iwa s TYR 469 Ca 0.16 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1iwa s TYR 469 Cb -0.18 -0.35 -0.10 0.00 -0.11 0.00 0.00 41.96 41.22 1iwa s TYR 469 CO 0.00 -0.11 1.48 0.99 -1.11 0.00 0.00 175.55 176.80 1iwa s THR 470 N -1.39 2.66 0.56 -0.71 2.01 -1.26 -4.98 115.64 112.53 1iwa s THR 470 Ca -0.11 0.52 -0.18 0.00 0.31 0.00 0.00 61.69 62.23 1iwa s THR 470 Cb -0.10 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1iwa s THR 470 CO 0.00 0.07 1.08 -0.44 -0.69 0.00 0.00 174.62 174.64 1iwa s SER 471 N 0.61 5.82 -0.18 3.53 0.01 -1.26 -4.96 113.70 117.28 1iwa s SER 471 Ca 0.63 1.98 0.03 0.00 1.31 0.00 0.00 55.95 59.90 1iwa s SER 471 Cb -0.42 -2.56 -0.22 0.00 0.21 0.00 0.00 66.02 63.03 1iwa s SER 471 CO 0.40 -1.14 0.13 0.35 0.41 0.00 0.00 173.24 173.39 1iwa n THR 472 N -1.57 1.59 -3.25 1.44 -2.24 -1.26 -4.73 114.28 104.26 1iwa n THR 472 Ca 0.10 -0.68 -0.46 0.00 -2.27 0.00 0.00 64.05 60.75 1iwa n THR 472 Cb 0.52 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.39 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 -6.47 6.39 0.31 3.42 2.15 -1.25 -4.33 116.67 116.88 1iwa s ASP 473 Ca -0.23 -1.99 0.10 0.00 0.43 0.00 0.00 52.55 50.86 1iwa s ASP 473 Cb 0.08 -2.24 -0.05 0.00 -0.30 0.00 0.00 42.92 40.40 1iwa s ASP 473 CO 0.72 -0.85 -0.11 -0.89 -0.17 0.00 0.00 175.17 173.88 1iwa s THR 474 N 1.49 2.56 0.93 1.71 2.01 -1.26 -4.52 115.64 118.56 1iwa s THR 474 Ca 0.11 -2.21 -0.12 0.00 0.31 0.00 0.00 61.69 59.78 1iwa s THR 474 Cb -0.21 -2.56 0.15 0.00 0.01 0.00 0.00 72.50 69.89 1iwa s THR 474 CO -0.01 -0.30 1.10 -0.55 -0.69 0.00 0.00 174.62 174.18 1iwa s SER 475 N -3.60 3.28 0.00 3.53 0.15 -1.26 -4.99 113.70 110.81 1iwa s SER 475 Ca 0.32 1.22 0.02 0.00 0.70 0.00 0.00 55.95 58.20 1iwa s SER 475 Cb -0.02 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1iwa s SER 475 CO 0.17 -2.73 0.36 0.47 1.20 0.00 0.00 173.24 172.71 1iwa n ASP 476 N -3.91 0.72 -2.75 5.45 8.00 -1.26 -4.75 116.55 118.04 1iwa n ASP 476 Ca 0.06 -0.86 -0.15 0.00 0.71 0.00 0.00 54.79 54.55 1iwa n ASP 476 Cb 0.57 0.42 0.01 0.00 -0.02 0.00 0.00 41.12 42.10 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 -0.37 1.52 0.93 1.24 3.01 -1.26 -4.75 117.46 117.77 1iwa n PHE 477 Ca 0.01 -3.13 0.11 0.00 1.01 0.00 0.00 57.45 55.45 1iwa n PHE 477 Cb 0.04 -0.34 0.09 0.00 -0.01 0.00 0.00 39.48 39.26 1iwa n PHE 477 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10