#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwa n PHE 1 N 0.00 0.90 -2.60 -1.40 7.35 -1.26 -5.01 117.46 115.44 2hwa n PHE 1 Ca 0.00 -1.53 -0.43 0.00 -0.76 0.00 0.00 57.45 54.73 2hwa n PHE 1 Cb 0.00 -0.24 -0.02 0.00 0.35 0.00 0.00 39.48 39.57 2hwa n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2hwa s ASN 2 N -3.11 7.09 0.08 -2.13 0.01 -1.26 -5.03 114.94 110.60 2hwa s ASN 2 Ca 0.37 1.52 0.04 0.00 -0.71 0.00 0.00 52.86 54.09 2hwa s ASN 2 Cb 0.37 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 2hwa s ASN 2 CO -0.07 -0.63 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.13 2hwa s LEU 3 N 2.90 3.46 0.62 0.60 1.43 -1.26 -0.87 118.68 125.56 2hwa s LEU 3 Ca 0.48 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 2hwa s LEU 3 Cb -0.18 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 2hwa s LEU 3 CO 0.12 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.82 2hwa s PRO 4 N -2.22 3.09 0.15 1.29 0.04 -1.26 -4.61 135.00 131.47 2hwa s PRO 4 Ca 0.25 1.35 0.24 0.00 0.04 0.00 0.00 61.00 62.89 2hwa s PRO 4 Cb -0.12 -1.99 0.92 0.00 0.04 0.00 0.00 34.50 33.35 2hwa s PRO 4 CO 0.17 -1.02 1.74 -0.35 0.04 0.00 0.00 177.00 177.59 2hwa n PRO 5 N -2.09 0.15 -0.81 0.56 -0.04 -1.26 -4.90 135.00 126.62 2hwa n PRO 5 Ca 0.10 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 2hwa n PRO 5 Cb 0.52 -1.72 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 2hwa n PRO 5 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2hwa s GLY 6 N -3.37 1.52 0.37 0.55 0.00 -1.26 -5.09 107.32 100.05 2hwa s GLY 6 Ca 0.09 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.18 2hwa s GLY 6 CO 0.48 0.17 0.14 0.54 0.00 0.00 0.00 173.10 174.43 2hwa s ASN 7 N -3.36 2.38 -0.25 1.64 2.20 -1.26 -5.08 114.94 111.21 2hwa s ASN 7 Ca 0.69 -1.63 0.12 0.00 -0.94 0.00 0.00 52.86 51.10 2hwa s ASN 7 Cb -0.15 0.44 0.53 0.00 -2.00 0.00 0.00 41.25 40.07 2hwa s ASN 7 CO 0.58 -0.91 1.47 -1.22 -2.94 0.00 0.00 177.10 174.09 2hwa n TYR 8 N -0.80 1.13 -0.33 1.54 4.01 -1.26 -4.71 117.16 116.74 2hwa n TYR 8 Ca -0.03 -1.29 -0.02 0.00 -0.16 0.00 0.00 57.90 56.41 2hwa n TYR 8 Cb 0.65 -0.44 0.13 0.00 -0.31 0.00 0.00 39.34 39.37 2hwa n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hwa h LYS 9 N 1.35 1.24 -5.71 -0.72 1.57 -1.98 -3.44 116.57 108.87 2hwa h LYS 9 Ca 0.14 -0.09 -0.62 0.00 -1.87 0.00 0.00 60.65 58.21 2hwa h LYS 9 Cb 1.63 -0.27 -0.13 0.00 0.08 0.00 0.00 32.23 33.55 2hwa h LYS 9 CO 0.35 0.84 -0.60 0.15 -0.57 0.00 0.00 179.45 179.63 2hwa s LYS 10 N -5.98 1.98 1.04 3.15 1.02 -1.26 -5.14 119.74 114.55 2hwa s LYS 10 Ca -0.12 -2.06 -0.15 0.00 0.02 0.00 0.00 55.97 53.66 2hwa s LYS 10 Cb 0.18 -1.69 0.21 0.00 -0.52 0.00 0.00 37.83 36.01 2hwa s LYS 10 CO 0.81 -0.04 1.13 -1.25 -0.92 0.00 0.00 175.35 175.09 2hwa s PRO 11 N -3.72 0.11 0.19 -1.68 0.04 -1.26 -4.73 135.00 123.95 2hwa s PRO 11 Ca 0.35 0.17 -0.22 0.00 0.04 0.00 0.00 61.00 61.34 2hwa s PRO 11 Cb 0.09 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.95 2hwa s PRO 11 CO 0.18 -2.87 0.62 -0.08 0.04 0.00 0.00 177.00 174.89 2hwa s THR 12 N -3.16 0.00 0.11 1.26 -1.32 0.17 -4.49 115.64 108.21 2hwa s THR 12 Ca 0.67 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.93 2hwa s THR 12 Cb -0.13 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 2hwa s THR 12 CO 0.55 -0.01 0.08 -0.76 -2.21 0.00 0.00 174.62 172.27 2hwa s LEU 13 N -2.79 3.75 -0.29 9.08 1.43 0.00 -0.78 118.68 129.08 2hwa s LEU 13 Ca 0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2hwa s LEU 13 Cb -0.02 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.84 2hwa s LEU 13 CO -0.08 0.14 -0.04 -0.76 0.23 0.00 0.00 176.35 175.84 2hwa s LEU 14 N -2.60 3.77 -0.32 1.79 1.43 -1.26 -0.88 118.68 120.61 2hwa s LEU 14 Ca 0.29 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.88 2hwa s LEU 14 Cb -0.11 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 2hwa s LEU 14 CO 0.22 -0.24 0.39 -0.47 0.23 0.00 0.00 176.35 176.47 2hwa s TYR 15 N 1.18 3.22 -0.22 0.29 5.04 0.08 -0.87 117.35 126.07 2hwa s TYR 15 Ca -0.06 0.14 -0.23 0.00 -2.44 0.00 0.00 57.07 54.48 2hwa s TYR 15 Cb -0.20 -2.68 -0.01 0.00 0.35 0.00 0.00 41.96 39.42 2hwa s TYR 15 CO -0.03 -0.38 0.74 0.00 -1.34 0.00 0.00 175.55 174.54 2hwa h SER 17 N 7.60 0.00 0.52 0.00 4.64 -1.61 0.64 113.55 125.35 2hwa h SER 17 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2hwa h SER 17 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2hwa h SER 17 CO 0.82 0.04 -0.48 -1.13 -0.87 0.00 0.00 176.83 175.21 2hwa h ASN 18 N 0.00 -1.30 -0.00 4.97 -1.24 -1.79 -3.34 115.58 112.88 2hwa h ASN 18 Ca -0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2hwa h ASN 18 Cb 0.33 0.42 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2hwa h ASN 18 CO 0.01 -0.66 -0.00 0.61 -1.29 0.00 0.00 177.43 176.10 2hwa n GLY 19 N -1.56 -1.29 1.83 1.57 0.00 -1.24 -4.81 105.19 99.70 2hwa n GLY 19 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2hwa n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hwa n GLY 20 N 0.11 0.45 3.86 -0.02 0.00 0.21 -5.02 105.19 104.78 2hwa n GLY 20 Ca 0.01 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2hwa n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hwa s HIS 21 N -2.00 3.47 -0.07 1.61 3.76 -1.16 -4.67 115.29 116.23 2hwa s HIS 21 Ca 0.00 0.95 -0.16 0.00 -0.15 0.00 0.00 55.06 55.70 2hwa s HIS 21 Cb 0.00 -2.31 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 2hwa s HIS 21 CO 0.00 0.30 0.41 -0.06 -0.85 0.00 0.00 174.74 174.54 2hwa s PHE 22 N -1.73 3.61 0.26 1.40 0.08 0.38 -0.23 117.98 121.75 2hwa s PHE 22 Ca 0.45 0.89 -0.30 0.00 0.12 0.00 0.00 56.93 58.09 2hwa s PHE 22 Cb -0.12 -2.38 -0.11 0.00 -0.57 0.00 0.00 43.02 39.84 2hwa s PHE 22 CO 0.20 0.41 1.53 -1.17 -0.10 0.00 0.00 175.22 176.09 2hwa s LEU 23 N -0.24 4.37 -0.03 -0.37 2.96 -0.04 -1.48 118.68 123.85 2hwa s LEU 23 Ca 0.23 2.79 0.04 0.00 -0.22 0.00 0.00 54.13 56.97 2hwa s LEU 23 Cb -0.15 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.91 2hwa s LEU 23 CO 0.11 -0.81 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.59 2hwa s ARG 24 N -0.24 1.27 -0.31 1.98 3.52 0.76 -4.51 118.95 121.41 2hwa s ARG 24 Ca 0.62 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 2hwa s ARG 24 Cb -0.45 -1.16 0.08 0.00 -1.56 0.00 0.00 34.95 31.86 2hwa s ARG 24 CO 0.44 0.22 0.00 0.42 -0.81 0.00 0.00 175.30 175.56 2hwa s ILE 25 N -0.03 2.49 0.52 4.11 1.01 -0.76 -1.74 121.20 126.80 2hwa s ILE 25 Ca -0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 60.65 58.60 2hwa s ILE 25 Cb -0.08 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 2hwa s ILE 25 CO 0.01 -0.31 1.01 -0.76 0.00 0.00 0.00 174.94 174.89 2hwa s LEU 26 N 1.07 3.69 0.44 2.97 1.43 0.99 -4.82 118.68 124.45 2hwa s LEU 26 Ca 0.00 1.74 0.25 0.00 -1.03 0.00 0.00 54.13 55.09 2hwa s LEU 26 Cb -0.20 -4.53 1.27 0.00 0.03 0.00 0.00 46.19 42.76 2hwa s LEU 26 CO -0.05 -0.76 1.75 -0.65 0.23 0.00 0.00 176.35 176.87 2hwa h PRO 27 N 1.08 0.24 -0.00 1.29 0.11 -1.98 0.45 132.00 133.18 2hwa h PRO 27 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hwa h PRO 27 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hwa h PRO 27 CO 0.60 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 2hwa n ASP 28 N -4.53 0.28 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.87 2hwa n ASP 28 Ca 0.28 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 2hwa n ASP 28 Cb 1.07 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.16 2hwa n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hwa n GLY 29 N 1.03 0.70 3.76 6.12 0.00 0.16 -4.96 105.19 111.99 2hwa n GLY 29 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2hwa n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwa s THR 30 N -2.46 3.39 -0.09 2.61 2.01 -1.23 -1.00 115.64 118.88 2hwa s THR 30 Ca 0.00 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.36 2hwa s THR 30 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2hwa s THR 30 CO 0.00 0.26 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.33 2hwa s VAL 31 N -1.25 2.68 0.00 3.82 1.01 -1.26 -0.01 120.40 125.39 2hwa s VAL 31 Ca 0.48 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2hwa s VAL 31 Cb -0.31 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2hwa s VAL 31 CO 0.40 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.16 2hwa n ASP 32 N 3.14 0.00 -4.22 3.32 5.75 -0.71 -4.52 116.55 119.31 2hwa n ASP 32 Ca -0.18 -0.35 -0.19 0.00 -0.01 0.00 0.00 54.79 54.06 2hwa n ASP 32 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 2hwa n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hwa s GLY 33 N -0.59 1.01 -0.02 6.12 0.00 0.73 -0.17 107.32 114.40 2hwa s GLY 33 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 2hwa s GLY 33 CO 0.00 -1.22 0.13 -1.08 0.00 0.00 0.00 173.10 170.93 2hwa s THR 34 N -1.74 0.06 -1.71 0.90 -1.32 -0.55 -4.80 115.64 106.47 2hwa s THR 34 Ca 0.05 -0.46 0.27 0.00 -1.21 0.00 0.00 61.69 60.34 2hwa s THR 34 Cb -0.07 -0.34 0.34 0.00 -1.51 0.00 0.00 72.50 70.91 2hwa s THR 34 CO 0.03 -0.25 1.68 0.54 -2.21 0.00 0.00 174.62 174.40 2hwa n ARG 35 N 2.01 0.78 -2.40 7.08 1.74 -1.26 -0.47 116.66 124.15 2hwa n ARG 35 Ca -0.19 -0.40 -0.37 0.00 -0.77 0.00 0.00 57.85 56.12 2hwa n ARG 35 Cb 0.57 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 2hwa n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hwa s ASP 36 N -2.49 6.04 0.24 0.55 -1.08 -1.26 -4.84 116.67 113.82 2hwa s ASP 36 Ca 0.26 -1.03 0.15 0.00 -0.52 0.00 0.00 52.55 51.41 2hwa s ASP 36 Cb 0.20 -2.56 0.81 0.00 -1.46 0.00 0.00 42.92 39.90 2hwa s ASP 36 CO 0.50 -1.92 1.44 -1.14 0.52 0.00 0.00 175.17 174.57 2hwa n ARG 37 N 8.96 0.10 0.00 4.34 0.63 -1.26 -0.72 116.66 128.70 2hwa n ARG 37 Ca 0.31 0.59 0.12 0.00 -0.92 0.00 0.00 57.85 57.94 2hwa n ARG 37 Cb 0.50 -1.86 0.25 0.00 0.45 0.00 0.00 32.46 31.79 2hwa n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2hwa n SER 38 N -2.03 0.54 -4.64 6.15 3.41 -1.26 -4.94 113.62 110.86 2hwa n SER 38 Ca -0.01 -0.30 -0.46 0.00 -0.26 0.00 0.00 58.87 57.84 2hwa n SER 38 Cb 0.06 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2hwa n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hwa n ASP 39 N -1.46 2.19 -0.05 4.04 -0.08 0.10 -4.88 116.55 116.40 2hwa n ASP 39 Ca 0.06 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.62 2hwa n ASP 39 Cb 0.34 -1.36 0.51 0.00 2.34 0.00 0.00 41.12 42.95 2hwa n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hwa n GLN 40 N 1.68 0.29 -0.83 -0.67 1.13 -1.26 -3.75 117.38 113.97 2hwa n GLN 40 Ca 0.12 -0.10 0.05 0.00 -1.94 0.00 0.00 57.00 55.12 2hwa n GLN 40 Cb 0.30 -1.50 0.36 0.00 0.11 0.00 0.00 30.24 29.51 2hwa n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hwa n HIS 41 N -1.26 1.91 0.47 1.08 8.25 -1.26 -4.16 115.22 120.25 2hwa n HIS 41 Ca 0.10 -0.87 0.05 0.00 -0.26 0.00 0.00 57.72 56.74 2hwa n HIS 41 Cb 0.31 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 2hwa n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2hwa n ILE 42 N 0.21 0.00 -2.50 1.59 -5.35 -1.25 -1.83 119.36 110.23 2hwa n ILE 42 Ca 0.29 -0.34 -0.43 0.00 -0.27 0.00 0.00 62.75 62.00 2hwa n ILE 42 Cb 1.18 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 40.13 2hwa n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hwa s GLN 43 N -1.62 4.31 0.17 6.28 1.11 -1.26 -4.55 119.66 124.10 2hwa s GLN 43 Ca 0.07 1.59 0.09 0.00 0.01 0.00 0.00 55.36 57.11 2hwa s GLN 43 Cb 0.08 -3.64 -0.04 0.00 -1.01 0.00 0.00 33.01 28.40 2hwa s GLN 43 CO 0.32 -0.55 -0.18 -0.51 0.01 0.00 0.00 175.29 174.38 2hwa s LEU 44 N 2.77 2.44 -0.15 2.90 1.43 0.04 -2.12 118.68 125.99 2hwa s LEU 44 Ca 0.53 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2hwa s LEU 44 Cb -0.21 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.19 2hwa s LEU 44 CO 0.17 -0.03 -0.12 -1.58 0.23 0.00 0.00 176.35 175.02 2hwa s GLN 45 N -2.84 2.04 0.28 1.70 2.00 0.89 0.41 119.66 124.14 2hwa s GLN 45 Ca 0.16 -0.55 -0.05 0.00 -2.00 0.00 0.00 55.36 52.93 2hwa s GLN 45 Cb -0.06 -2.05 -0.05 0.00 0.80 0.00 0.00 33.01 31.65 2hwa s GLN 45 CO 0.07 -0.29 0.55 -0.51 -0.50 0.00 0.00 175.29 174.61 2hwa s LEU 46 N 1.53 4.07 0.01 3.68 1.02 -1.26 -0.94 118.68 126.79 2hwa s LEU 46 Ca 0.04 0.72 -0.11 0.00 0.02 0.00 0.00 54.13 54.80 2hwa s LEU 46 Cb -0.14 -3.53 0.01 0.00 0.02 0.00 0.00 46.19 42.55 2hwa s LEU 46 CO -0.10 -0.18 0.23 -0.94 0.02 0.00 0.00 176.35 175.38 2hwa s SER 47 N -3.10 -0.06 -0.03 2.29 1.04 -0.85 -4.84 113.70 108.15 2hwa s SER 47 Ca 0.44 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.69 2hwa s SER 47 Cb -0.11 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 2hwa s SER 47 CO 0.29 -0.48 0.13 0.00 0.98 0.00 0.00 173.24 174.16 2hwa s ALA 48 N -1.86 3.77 0.00 5.32 0.00 -1.26 -1.21 121.76 126.53 2hwa s ALA 48 Ca -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2hwa s ALA 48 Cb -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2hwa s ALA 48 CO 0.00 0.69 0.00 -1.91 0.00 0.00 0.00 175.76 174.55 2hwa n GLU 49 N 1.29 0.00 -3.16 0.00 4.07 -0.77 -4.96 120.64 117.11 2hwa n GLU 49 Ca -0.14 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.78 2hwa n GLU 49 Cb 0.53 -0.01 0.01 0.00 -0.06 0.00 0.00 31.44 31.92 2hwa n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2hwa s SER 50 N -1.00 5.38 0.22 4.31 0.01 -1.26 -4.98 113.70 116.38 2hwa s SER 50 Ca 0.00 -0.61 -0.32 0.00 1.31 0.00 0.00 55.95 56.33 2hwa s SER 50 Cb 0.00 -0.38 -0.12 0.00 0.21 0.00 0.00 66.02 65.72 2hwa s SER 50 CO 0.00 -0.88 1.63 0.52 0.41 0.00 0.00 173.24 174.92 2hwa n VAL 51 N -1.88 0.31 -0.69 3.43 0.31 -1.26 -1.33 118.33 117.23 2hwa n VAL 51 Ca 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2hwa n VAL 51 Cb 0.60 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2hwa n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hwa n GLY 52 N 3.28 1.43 3.57 2.92 0.00 -1.26 -5.02 105.19 110.10 2hwa n GLY 52 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2hwa n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hwa s GLU 53 N -0.07 3.12 0.05 1.61 2.02 -0.44 -1.25 118.70 123.73 2hwa s GLU 53 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 2hwa s GLU 53 Cb 0.00 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2hwa s GLU 53 CO 0.00 0.52 -0.02 0.14 0.02 0.00 0.00 175.26 175.92 2hwa s VAL 54 N -0.40 0.20 0.02 2.63 -7.23 0.63 -1.85 120.40 114.40 2hwa s VAL 54 Ca 0.06 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2hwa s VAL 54 Cb -0.12 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2hwa s VAL 54 CO 0.02 -0.92 0.01 -0.31 -0.31 0.00 0.00 175.10 173.59 2hwa s TYR 55 N -3.59 3.07 -0.27 2.82 2.02 -0.35 -1.02 117.35 120.03 2hwa s TYR 55 Ca 0.04 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2hwa s TYR 55 Cb 0.06 -1.64 0.07 0.00 -0.40 0.00 0.00 41.96 40.04 2hwa s TYR 55 CO -0.09 0.47 -0.05 0.42 -1.57 0.00 0.00 175.55 174.73 2hwa s ILE 56 N -1.15 1.98 -0.08 2.71 1.01 -1.26 -2.01 121.20 122.40 2hwa s ILE 56 Ca 0.21 -1.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.17 2hwa s ILE 56 Cb -0.12 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2hwa s ILE 56 CO 0.13 -0.20 -0.04 -0.75 0.00 0.00 0.00 174.94 174.07 2hwa s LYS 57 N 1.15 2.90 -0.25 2.79 2.20 -0.11 -0.83 119.74 127.59 2hwa s LYS 57 Ca -0.03 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 2hwa s LYS 57 Cb -0.19 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2hwa s LYS 57 CO -0.07 0.64 1.19 0.45 -0.36 0.00 0.00 175.35 177.21 2hwa s SER 58 N -0.73 6.89 0.33 1.43 0.15 0.39 -0.08 113.70 122.08 2hwa s SER 58 Ca 0.11 1.36 0.13 0.00 0.70 0.00 0.00 55.95 58.25 2hwa s SER 58 Cb -0.11 -2.54 0.55 0.00 -1.71 0.00 0.00 66.02 62.21 2hwa s SER 58 CO 0.02 -0.86 1.71 0.71 1.20 0.00 0.00 173.24 176.02 2hwa h THR 59 N 5.67 1.27 -0.07 6.45 1.35 -1.75 0.22 112.91 126.05 2hwa h THR 59 Ca -0.24 -1.72 -0.10 0.00 -0.55 0.00 0.00 66.41 63.81 2hwa h THR 59 Cb 1.08 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 2hwa h THR 59 CO 1.00 0.48 -0.33 -0.08 -0.25 0.00 0.00 175.52 176.34 2hwa h GLU 60 N 0.00 0.34 0.00 4.72 4.57 -1.81 -3.39 114.58 119.02 2hwa h GLU 60 Ca -0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2hwa h GLU 60 Cb 0.91 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2hwa h GLU 60 CO 0.06 0.92 -1.55 0.25 -1.18 0.00 0.00 179.01 177.52 2hwa n THR 61 N -4.41 0.00 -0.45 0.32 -2.24 -1.23 -5.00 114.28 101.27 2hwa n THR 61 Ca -0.08 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2hwa n THR 61 Cb 0.51 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2hwa n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hwa n GLY 62 N 1.49 1.32 3.80 3.38 0.00 0.06 -5.03 105.19 110.21 2hwa n GLY 62 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2hwa n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwa s GLN 63 N -0.30 3.95 -0.04 1.61 -0.21 -1.26 -4.75 119.66 118.66 2hwa s GLN 63 Ca 0.00 1.30 -0.01 0.00 0.02 0.00 0.00 55.36 56.67 2hwa s GLN 63 Cb 0.00 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 2hwa s GLN 63 CO 0.00 -0.30 0.04 0.71 -2.12 0.00 0.00 175.29 173.62 2hwa s TYR 64 N -2.02 3.21 0.24 0.91 1.51 -0.20 -0.47 117.35 120.53 2hwa s TYR 64 Ca 0.65 0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 56.61 2hwa s TYR 64 Cb -0.15 -1.75 -0.09 0.00 -0.11 0.00 0.00 41.96 39.86 2hwa s TYR 64 CO 0.18 0.52 1.28 -1.17 -1.11 0.00 0.00 175.55 175.24 2hwa s LEU 65 N -1.37 4.44 0.02 -1.29 2.96 -0.01 -0.17 118.68 123.25 2hwa s LEU 65 Ca 0.18 2.43 -0.03 0.00 -0.22 0.00 0.00 54.13 56.50 2hwa s LEU 65 Cb -0.12 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 2hwa s LEU 65 CO 0.09 -0.47 0.03 0.00 -1.32 0.00 0.00 176.35 174.68 2hwa s ALA 66 N -0.31 -0.01 -0.15 5.97 0.00 -0.24 -4.40 121.76 122.63 2hwa s ALA 66 Ca 0.53 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2hwa s ALA 66 Cb -0.36 0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2hwa s ALA 66 CO 0.41 -0.20 -0.19 1.41 0.00 0.00 0.00 175.76 177.20 2hwa s MET 67 N -1.70 3.12 0.70 0.00 1.75 -0.76 -0.81 119.30 121.60 2hwa s MET 67 Ca -0.13 -0.80 -0.09 0.00 -1.25 0.00 0.00 55.69 53.42 2hwa s MET 67 Cb -0.07 -2.53 0.15 0.00 2.84 0.00 0.00 34.83 35.22 2hwa s MET 67 CO -0.01 0.00 0.95 -0.40 -0.65 0.00 0.00 175.02 174.91 2hwa n ASP 68 N 4.05 0.41 0.00 1.11 5.68 -0.23 -4.81 116.55 122.76 2hwa n ASP 68 Ca -0.19 -1.55 0.08 0.00 -0.50 0.00 0.00 54.79 52.62 2hwa n ASP 68 Cb 0.52 -0.70 0.37 0.00 -1.14 0.00 0.00 41.12 40.17 2hwa n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2hwa n THR 69 N -3.13 0.76 0.70 2.12 -2.24 -1.26 -0.89 114.28 110.34 2hwa n THR 69 Ca 0.13 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 2hwa n THR 69 Cb 0.45 -0.91 0.18 0.00 -2.10 0.00 0.00 70.33 67.96 2hwa n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hwa n ASP 70 N -1.42 3.11 0.00 3.42 8.00 -1.26 -4.96 116.55 123.43 2hwa n ASP 70 Ca 0.05 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.59 2hwa n ASP 70 Cb 0.17 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2hwa n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hwa n GLY 71 N 1.41 0.60 3.86 0.44 0.00 -0.07 -4.63 105.19 106.81 2hwa n GLY 71 Ca 0.17 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2hwa n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwa s LEU 72 N 0.00 4.41 0.40 0.99 1.02 -1.26 0.08 118.68 124.32 2hwa s LEU 72 Ca 0.00 0.77 -0.17 0.00 0.02 0.00 0.00 54.13 54.75 2hwa s LEU 72 Cb 0.00 -2.64 -0.09 0.00 0.02 0.00 0.00 46.19 43.48 2hwa s LEU 72 CO 0.00 0.28 0.86 -0.76 0.02 0.00 0.00 176.35 176.75 2hwa s LEU 73 N -1.43 3.93 0.19 1.79 1.43 -1.26 -1.07 118.68 122.25 2hwa s LEU 73 Ca 0.26 1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 54.59 2hwa s LEU 73 Cb -0.15 -4.31 0.06 0.00 0.03 0.00 0.00 46.19 41.83 2hwa s LEU 73 CO 0.14 -0.34 0.63 -0.72 0.23 0.00 0.00 176.35 176.28 2hwa s TYR 74 N -2.20 -0.46 -0.20 0.29 1.13 0.01 -4.60 117.35 111.32 2hwa s TYR 74 Ca 0.57 0.20 -0.17 0.00 -1.41 0.00 0.00 57.07 56.26 2hwa s TYR 74 Cb -0.10 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2hwa s TYR 74 CO 0.19 -0.94 0.46 0.20 -2.51 0.00 0.00 175.55 172.96 2hwa s GLY 75 N -2.79 2.08 -0.10 5.49 0.00 -0.17 -1.07 107.32 110.75 2hwa s GLY 75 Ca 0.03 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.20 2hwa s GLY 75 CO -0.09 0.95 0.18 -0.45 0.00 0.00 0.00 173.10 173.69 2hwa s SER 76 N 1.11 6.44 0.45 1.64 0.15 0.76 -4.76 113.70 119.50 2hwa s SER 76 Ca 0.22 0.53 0.19 0.00 0.70 0.00 0.00 55.95 57.59 2hwa s SER 76 Cb -0.15 -2.09 1.06 0.00 -1.71 0.00 0.00 66.02 63.13 2hwa s SER 76 CO 0.09 0.40 1.96 1.56 1.20 0.00 0.00 173.24 178.45 2hwa h GLN 77 N 4.95 0.00 -5.98 5.44 1.08 -1.93 -0.52 115.11 118.16 2hwa h GLN 77 Ca -0.55 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.13 2hwa h GLN 77 Cb 1.23 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.47 2hwa h GLN 77 CO 0.58 0.22 -0.80 0.95 -0.95 0.00 0.00 178.83 178.84 2hwa s THR 78 N -4.30 1.75 -1.15 -0.54 -4.23 -1.26 -4.79 115.64 101.11 2hwa s THR 78 Ca -0.03 -1.77 -0.15 0.00 -1.18 0.00 0.00 61.69 58.56 2hwa s THR 78 Cb 0.14 -1.72 0.15 0.00 1.34 0.00 0.00 72.50 72.41 2hwa s THR 78 CO 0.66 -0.23 1.40 -2.16 -0.54 0.00 0.00 174.62 173.75 2hwa s PRO 79 N -2.47 3.97 0.03 3.99 0.04 -1.26 -4.76 135.00 134.53 2hwa s PRO 79 Ca 0.12 -2.33 0.00 0.00 0.04 0.00 0.00 61.00 58.83 2hwa s PRO 79 Cb -0.07 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2hwa s PRO 79 CO 0.06 -1.82 0.03 0.27 0.04 0.00 0.00 177.00 175.58 2hwa n ASN 80 N 6.13 0.85 0.08 6.66 0.23 -1.26 -4.94 115.26 123.01 2hwa n ASN 80 Ca 0.35 -1.10 0.20 0.00 -0.53 0.00 0.00 54.58 53.49 2hwa n ASN 80 Cb 0.45 -0.01 0.75 0.00 -2.08 0.00 0.00 39.78 38.88 2hwa n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2hwa h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 0.18 114.58 113.05 2hwa h GLU 81 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2hwa h GLU 81 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2hwa h GLU 81 CO 0.03 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.50 2hwa n GLU 82 N -3.98 0.30 0.00 1.06 1.02 -1.26 -3.46 120.64 114.32 2hwa n GLU 82 Ca 0.07 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 2hwa n GLU 82 Cb 0.55 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.54 2hwa n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hwa s LEU 84 N -1.67 4.32 0.05 0.00 1.43 -1.22 -4.46 118.68 117.13 2hwa s LEU 84 Ca 0.21 1.11 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2hwa s LEU 84 Cb 0.16 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2hwa s LEU 84 CO 0.27 -0.06 -0.18 -0.36 0.23 0.00 0.00 176.35 176.25 2hwa s PHE 85 N 0.62 1.53 -0.43 0.29 0.40 -0.19 -1.20 117.98 119.01 2hwa s PHE 85 Ca 0.34 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 56.08 2hwa s PHE 85 Cb -0.17 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.48 2hwa s PHE 85 CO 0.16 0.08 0.72 -0.51 0.70 0.00 0.00 175.22 176.37 2hwa s LEU 86 N -1.28 4.34 -0.26 -0.37 1.43 0.56 -0.26 118.68 122.83 2hwa s LEU 86 Ca 0.04 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 2hwa s LEU 86 Cb -0.09 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2hwa s LEU 86 CO 0.02 -0.82 0.70 -0.70 0.23 0.00 0.00 176.35 175.78 2hwa s GLU 87 N 3.04 4.10 0.08 1.70 2.12 -0.38 -1.64 118.70 127.71 2hwa s GLU 87 Ca 0.27 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.28 2hwa s GLU 87 Cb -0.13 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 2hwa s GLU 87 CO 0.20 -0.49 -0.11 1.03 -0.54 0.00 0.00 175.26 175.35 2hwa s ARG 88 N 2.66 0.77 0.46 4.30 1.81 -0.17 -4.65 118.95 124.13 2hwa s ARG 88 Ca 0.29 -1.00 -0.21 0.00 -1.72 0.00 0.00 55.73 53.09 2hwa s ARG 88 Cb -0.15 -0.59 -0.09 0.00 -0.45 0.00 0.00 34.95 33.67 2hwa s ARG 88 CO 0.09 0.11 1.04 -1.17 -0.68 0.00 0.00 175.30 174.69 2hwa s LEU 89 N -2.01 3.94 -0.02 2.53 2.96 -0.05 -0.20 118.68 125.84 2hwa s LEU 89 Ca -0.00 1.96 -0.02 0.00 -0.22 0.00 0.00 54.13 55.85 2hwa s LEU 89 Cb -0.07 -4.44 0.00 0.00 0.50 0.00 0.00 46.19 42.19 2hwa s LEU 89 CO 0.01 -0.68 0.05 -0.70 -1.32 0.00 0.00 176.35 173.71 2hwa s GLU 90 N -2.99 0.09 -1.30 1.98 2.56 0.25 -4.80 118.70 114.49 2hwa s GLU 90 Ca 0.64 0.04 -0.08 0.00 0.00 0.00 0.00 54.97 55.57 2hwa s GLU 90 Cb -0.18 0.04 0.06 0.00 2.00 0.00 0.00 34.13 36.04 2hwa s GLU 90 CO 0.22 -0.01 0.47 0.39 -0.56 0.00 0.00 175.26 175.77 2hwa n GLU 91 N 2.95 -3.52 -2.91 4.30 1.02 -1.26 -1.05 120.64 120.17 2hwa n GLU 91 Ca -0.13 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.36 2hwa n GLU 91 Cb 0.59 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 2hwa n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hwa n ASN 92 N -2.28 -4.48 0.00 1.62 4.13 -1.26 -4.63 115.26 108.36 2hwa n ASN 92 Ca -0.04 -0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.08 2hwa n ASN 92 Cb 0.56 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.09 2hwa n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2hwa n HIS 93 N -3.89 -1.83 -2.50 3.10 -0.00 -0.21 -5.15 115.22 104.73 2hwa n HIS 93 Ca -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.37 2hwa n HIS 93 Cb 0.59 0.37 0.03 0.00 -0.00 0.00 0.00 29.99 30.98 2hwa n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2hwa s TYR 94 N -1.78 3.21 -0.14 1.57 2.02 -0.35 -4.83 117.35 117.05 2hwa s TYR 94 Ca 0.00 0.53 -0.06 0.00 -0.37 0.00 0.00 57.07 57.17 2hwa s TYR 94 Cb 0.00 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 2hwa s TYR 94 CO 0.00 -0.78 0.09 -0.80 -1.57 0.00 0.00 175.55 172.49 2hwa s ASN 95 N -4.31 5.89 0.27 2.29 -0.87 0.12 -0.58 114.94 117.75 2hwa s ASN 95 Ca 0.53 0.25 0.11 0.00 -1.57 0.00 0.00 52.86 52.19 2hwa s ASN 95 Cb -0.10 -1.92 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 2hwa s ASN 95 CO 0.44 0.30 -0.19 0.42 -2.57 0.00 0.00 177.10 175.49 2hwa s THR 96 N -0.37 2.38 -0.21 1.60 -4.23 0.72 -1.14 115.64 114.39 2hwa s THR 96 Ca 0.10 -2.37 -0.02 0.00 -1.18 0.00 0.00 61.69 58.21 2hwa s THR 96 Cb -0.12 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.53 2hwa s THR 96 CO 0.02 -0.42 0.03 -0.31 -0.54 0.00 0.00 174.62 173.40 2hwa s TYR 97 N -2.55 1.29 -0.16 3.99 2.02 -1.26 -0.99 117.35 119.68 2hwa s TYR 97 Ca 0.29 -1.08 -0.07 0.00 -0.37 0.00 0.00 57.07 55.83 2hwa s TYR 97 Cb -0.05 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 2hwa s TYR 97 CO 0.14 -0.67 0.09 0.42 -1.57 0.00 0.00 175.55 173.96 2hwa s ILE 98 N 1.77 5.08 0.04 2.71 1.01 -0.65 -0.94 121.20 130.22 2hwa s ILE 98 Ca -0.00 0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.38 2hwa s ILE 98 Cb -0.17 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 38.92 2hwa s ILE 98 CO -0.10 0.51 1.82 -0.24 0.00 0.00 0.00 174.94 176.93 2hwa n SER 99 N 3.01 3.63 -0.18 3.58 2.88 -0.37 -0.32 113.62 125.84 2hwa n SER 99 Ca -0.17 0.99 -0.09 0.00 -1.33 0.00 0.00 58.87 58.27 2hwa n SER 99 Cb 0.53 -1.45 0.01 0.00 -0.75 0.00 0.00 64.21 62.55 2hwa n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hwa h LYS 100 N 8.51 0.85 -0.46 -1.46 3.64 -1.48 -0.10 116.57 126.06 2hwa h LYS 100 Ca -0.47 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 58.66 2hwa h LYS 100 Cb 1.25 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2hwa h LYS 100 CO 0.93 0.83 0.17 -0.22 -2.27 0.00 0.00 179.45 178.89 2hwa h LYS 101 N 0.73 0.67 -0.60 1.90 3.64 -1.77 -2.49 116.57 118.65 2hwa h LYS 101 Ca 0.16 -0.10 -0.35 0.00 -1.27 0.00 0.00 60.65 59.09 2hwa h LYS 101 Cb 0.38 -0.12 -0.21 0.00 -0.41 0.00 0.00 32.23 31.87 2hwa h LYS 101 CO 0.01 0.56 0.10 0.72 -2.27 0.00 0.00 179.45 178.57 2hwa n HIS 102 N -4.35 1.92 -0.19 1.91 8.25 -1.15 -4.75 115.22 116.86 2hwa n HIS 102 Ca 0.03 -1.90 0.02 0.00 -0.26 0.00 0.00 57.72 55.62 2hwa n HIS 102 Cb 0.16 -0.68 0.28 0.00 1.12 0.00 0.00 29.99 30.87 2hwa n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hwa h ALA 103 N 1.24 1.54 0.00 -1.41 0.00 -0.53 -1.18 119.26 118.93 2hwa h ALA 103 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2hwa h ALA 103 Cb 1.80 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2hwa h ALA 103 CO 0.72 0.40 0.00 1.49 0.00 0.00 0.00 179.25 181.86 2hwa h GLU 104 N 0.92 0.00 -0.02 0.00 4.81 -1.85 -2.06 114.58 116.38 2hwa h GLU 104 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2hwa h GLU 104 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2hwa h GLU 104 CO -0.07 0.00 -0.25 1.63 -0.73 0.00 0.00 179.01 179.59 2hwa n LYS 105 N -2.56 1.55 -3.67 1.92 5.02 -0.45 -4.98 118.16 114.99 2hwa n LYS 105 Ca 0.00 -1.21 -0.22 0.00 -2.02 0.00 0.00 58.31 54.86 2hwa n LYS 105 Cb 0.17 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2hwa n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hwa n ASN 106 N 0.33 -2.04 -4.61 4.39 4.13 -0.78 -4.96 115.26 111.72 2hwa n ASN 106 Ca 0.12 -0.84 -0.39 0.00 1.68 0.00 0.00 54.58 55.15 2hwa n ASN 106 Cb 0.48 -4.03 -0.09 0.00 -1.54 0.00 0.00 39.78 34.60 2hwa n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2hwa s TRP 107 N -3.63 3.26 0.22 3.10 0.51 -1.25 -4.56 118.94 116.59 2hwa s TRP 107 Ca 0.09 0.42 0.08 0.00 -2.12 0.00 0.00 56.10 54.58 2hwa s TRP 107 Cb -0.03 -2.56 -0.04 0.00 -0.81 0.00 0.00 33.47 30.04 2hwa s TRP 107 CO 0.81 -0.20 0.03 -0.06 -0.51 0.00 0.00 176.95 177.02 2hwa s PHE 108 N 1.98 2.83 0.12 -1.98 0.40 -1.26 -1.24 117.98 118.82 2hwa s PHE 108 Ca 0.15 -0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.01 2hwa s PHE 108 Cb -0.16 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.99 2hwa s PHE 108 CO 0.10 0.56 1.21 0.08 0.70 0.00 0.00 175.22 177.86 2hwa s VAL 109 N -2.01 3.78 -0.09 -0.44 1.01 -0.11 -4.45 120.40 118.09 2hwa s VAL 109 Ca 0.30 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.38 2hwa s VAL 109 Cb -0.08 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.49 2hwa s VAL 109 CO 0.20 0.16 0.64 -0.83 0.00 0.00 0.00 175.10 175.27 2hwa s GLY 110 N 0.62 -0.52 -0.05 4.51 0.00 -1.26 -4.44 107.32 106.18 2hwa s GLY 110 Ca 0.56 1.35 0.07 0.00 0.00 0.00 0.00 44.72 46.69 2hwa s GLY 110 CO 0.33 1.03 -0.25 1.08 0.00 0.00 0.00 173.10 175.28 2hwa s LEU 111 N -0.85 2.08 0.96 0.66 1.43 -0.64 -0.80 118.68 121.52 2hwa s LEU 111 Ca -0.09 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 2hwa s LEU 111 Cb -0.02 -1.37 0.17 0.00 0.03 0.00 0.00 46.19 45.00 2hwa s LEU 111 CO 0.07 0.27 1.14 -0.54 0.23 0.00 0.00 176.35 177.52 2hwa s LYS 112 N -0.29 0.76 0.49 1.70 1.02 0.12 -4.42 119.74 119.11 2hwa s LYS 112 Ca 0.00 0.23 0.20 0.00 0.02 0.00 0.00 55.97 56.42 2hwa s LYS 112 Cb -0.13 -1.80 1.25 0.00 -0.52 0.00 0.00 37.83 36.63 2hwa s LYS 112 CO 0.02 -2.45 2.06 0.87 -0.92 0.00 0.00 175.35 174.94 2hwa h LYS 113 N -1.68 0.00 -0.04 1.68 1.57 -1.87 -1.66 116.57 114.57 2hwa h LYS 113 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2hwa h LYS 113 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2hwa h LYS 113 CO 0.57 0.13 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 2hwa n ASN 114 N -4.10 0.47 0.00 0.86 0.23 -1.26 -4.64 115.26 106.83 2hwa n ASN 114 Ca -0.02 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 2hwa n ASN 114 Cb 0.21 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2hwa n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hwa n GLY 115 N 0.93 0.92 3.84 4.83 0.00 -0.62 -4.98 105.19 110.11 2hwa n GLY 115 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2hwa n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hwa s SER 116 N -2.98 6.83 0.41 1.61 0.01 -1.26 -0.19 113.70 118.13 2hwa s SER 116 Ca 0.00 1.14 -0.26 0.00 1.31 0.00 0.00 55.95 58.14 2hwa s SER 116 Cb 0.00 -2.31 -0.10 0.00 0.21 0.00 0.00 66.02 63.82 2hwa s SER 116 CO 0.00 0.01 1.36 0.52 0.41 0.00 0.00 173.24 175.54 2hwa n VAL 117 N 0.45 2.45 -3.60 3.43 0.31 -1.26 0.12 118.33 120.24 2hwa n VAL 117 Ca -0.02 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.42 2hwa n VAL 117 Cb 0.52 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.61 2hwa n VAL 117 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2hwa s LYS 118 N -2.21 3.54 0.50 5.55 2.20 0.02 -4.67 119.74 124.67 2hwa s LYS 118 Ca 0.59 -0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 55.38 2hwa s LYS 118 Cb -0.49 -3.67 -0.07 0.00 -1.51 0.00 0.00 37.83 32.09 2hwa s LYS 118 CO 0.60 -0.37 1.20 2.89 -0.36 0.00 0.00 175.35 179.31 2hwa n ARG 119 N 5.04 1.55 -0.28 4.03 1.85 -1.26 -4.33 116.66 123.27 2hwa n ARG 119 Ca -0.14 0.57 0.02 0.00 -1.00 0.00 0.00 57.85 57.30 2hwa n ARG 119 Cb 0.50 -2.36 0.10 0.00 -1.05 0.00 0.00 32.46 29.64 2hwa n ARG 119 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2hwa h GLY 120 N 1.45 0.57 2.00 2.89 0.00 -0.57 0.19 103.07 109.60 2hwa h GLY 120 Ca -0.49 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2hwa h GLY 120 CO 0.57 -0.30 0.00 -0.56 0.00 0.00 0.00 176.54 176.25 2hwa h PRO 121 N -0.00 0.00 -0.15 4.80 0.13 -1.82 -1.79 132.00 133.18 2hwa h PRO 121 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 2hwa h PRO 121 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2hwa h PRO 121 CO -0.81 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 177.50 2hwa n ARG 122 N -2.94 1.97 -3.92 0.86 1.74 0.66 -4.92 116.66 110.11 2hwa n ARG 122 Ca -0.01 -1.43 -0.25 0.00 -0.77 0.00 0.00 57.85 55.38 2hwa n ARG 122 Cb 0.16 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 2hwa n ARG 122 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2hwa s THR 123 N -1.83 5.30 -0.02 0.55 -4.23 -0.67 -4.93 115.64 109.81 2hwa s THR 123 Ca 0.34 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.86 2hwa s THR 123 Cb 0.20 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.38 2hwa s THR 123 CO 0.30 -0.14 0.97 -1.38 -0.54 0.00 0.00 174.62 173.83 2hwa s HIS 124 N -1.79 -0.27 0.35 3.99 -3.43 -1.26 -4.82 115.29 108.05 2hwa s HIS 124 Ca 0.35 0.13 -0.27 0.00 -0.80 0.00 0.00 55.06 54.47 2hwa s HIS 124 Cb -0.11 0.55 -0.12 0.00 -1.43 0.00 0.00 32.58 31.47 2hwa s HIS 124 CO 0.29 -0.51 1.10 0.66 -2.00 0.00 0.00 174.74 174.28 2hwa n TYR 125 N -0.25 1.58 0.00 0.38 4.01 -1.26 -2.95 117.16 118.66 2hwa n TYR 125 Ca -0.07 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 2hwa n TYR 125 Cb 0.61 -2.30 0.00 0.00 -0.31 0.00 0.00 39.34 37.34 2hwa n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hwa n GLY 126 N 1.06 0.19 3.90 2.72 0.00 -1.26 -5.09 105.19 106.71 2hwa n GLY 126 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2hwa n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwa s GLN 127 N -0.92 3.68 0.32 1.61 -0.21 -1.15 -5.00 119.66 117.98 2hwa s GLN 127 Ca 0.00 0.06 0.17 0.00 0.02 0.00 0.00 55.36 55.61 2hwa s GLN 127 Cb 0.00 -2.68 0.16 0.00 1.00 0.00 0.00 33.01 31.49 2hwa s GLN 127 CO 0.00 0.29 1.50 0.87 -2.12 0.00 0.00 175.29 175.83 2hwa h LYS 128 N 2.12 0.00 0.00 2.91 1.79 -1.97 -3.29 116.57 118.14 2hwa h LYS 128 Ca -0.47 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 2hwa h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2hwa h LYS 128 CO 0.68 0.39 -0.03 0.00 -1.08 0.00 0.00 179.45 179.41 2hwa h ALA 129 N 1.61 1.76 -0.01 3.86 0.00 -1.95 -2.65 119.26 121.88 2hwa h ALA 129 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hwa h ALA 129 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2hwa h ALA 129 CO 0.05 0.04 -0.29 0.44 0.00 0.00 0.00 179.25 179.49 2hwa n ILE 130 N -4.23 0.00 -3.06 0.00 -5.35 -1.24 -1.63 119.36 103.86 2hwa n ILE 130 Ca -0.03 -0.10 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 2hwa n ILE 130 Cb 0.12 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.29 2hwa n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hwa s LEU 131 N -2.59 4.07 0.12 7.28 1.43 -1.00 -4.44 118.68 123.55 2hwa s LEU 131 Ca 0.22 0.79 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 2hwa s LEU 131 Cb 0.19 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 2hwa s LEU 131 CO 0.55 -0.41 -0.23 -0.36 0.23 0.00 0.00 176.35 176.14 2hwa s PHE 132 N 2.59 1.99 -0.10 0.29 0.40 -0.29 -1.96 117.98 120.90 2hwa s PHE 132 Ca 0.28 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 2hwa s PHE 132 Cb -0.15 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.31 2hwa s PHE 132 CO 0.08 0.28 -0.22 -0.51 0.70 0.00 0.00 175.22 175.56 2hwa s LEU 133 N -2.10 2.01 0.21 -0.37 1.43 0.45 0.14 118.68 120.46 2hwa s LEU 133 Ca 0.11 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 2hwa s LEU 133 Cb -0.09 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 2hwa s LEU 133 CO 0.05 0.13 0.99 -2.16 0.23 0.00 0.00 176.35 175.60 2hwa s PRO 134 N 0.42 4.76 0.07 1.29 0.04 -1.26 -0.74 135.00 139.57 2hwa s PRO 134 Ca -0.18 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.48 2hwa s PRO 134 Cb -0.18 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2hwa s PRO 134 CO 0.08 0.35 -0.14 -0.51 0.04 0.00 0.00 177.00 176.81 2hwa s LEU 135 N -0.88 2.26 0.55 -3.56 1.43 -0.05 -4.93 118.68 113.49 2hwa s LEU 135 Ca 0.44 -0.59 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 2hwa s LEU 135 Cb -0.27 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 2hwa s LEU 135 CO 0.33 -0.05 1.34 -2.84 0.23 0.00 0.00 176.35 175.37 2hwa s PRO 136 N -1.64 3.13 0.00 1.29 0.02 -1.26 -0.82 135.00 135.73 2hwa s PRO 136 Ca -0.01 2.20 0.12 0.00 0.02 0.00 0.00 61.00 63.33 2hwa s PRO 136 Cb -0.10 -2.23 0.72 0.00 0.02 0.00 0.00 34.50 32.91 2hwa s PRO 136 CO 0.02 -1.18 1.15 1.33 -0.33 0.00 0.00 177.00 177.99