#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w9a h PHE 6 N 0.00 0.66 -0.95 6.34 3.57 -2.04 0.19 116.94 124.71 1w9a h PHE 6 Ca 0.00 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1w9a h PHE 6 Cb 0.00 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 1w9a h PHE 6 CO 0.00 -0.01 0.58 -0.44 -2.23 0.00 0.00 178.31 176.21 1w9a h ASP 7 N 0.43 0.84 -0.33 0.41 3.32 -2.00 -1.53 116.42 117.57 1w9a h ASP 7 Ca 0.54 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.60 1w9a h ASP 7 Cb 0.97 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1w9a h ASP 7 CO -0.50 0.45 0.08 0.44 -1.72 0.00 0.00 179.24 177.99 1w9a h ASP 8 N 0.92 0.56 -0.49 6.45 3.32 -1.38 0.40 116.42 126.21 1w9a h ASP 8 Ca 0.47 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 1w9a h ASP 8 Cb 0.48 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1w9a h ASP 8 CO -0.27 0.58 0.03 0.11 -1.72 0.00 0.00 179.24 177.97 1w9a h LYS 9 N 0.59 0.84 -0.36 3.56 1.57 -1.22 -0.57 116.57 120.98 1w9a h LYS 9 Ca 0.13 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1w9a h LYS 9 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1w9a h LYS 9 CO -0.00 0.86 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.40 1w9a h LEU 10 N 0.70 0.87 -1.22 2.94 3.38 -1.05 -2.92 115.31 118.00 1w9a h LEU 10 Ca 0.14 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1w9a h LEU 10 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1w9a h LEU 10 CO 0.02 1.13 -0.36 -0.07 0.09 0.00 0.00 178.44 179.24 1w9a h LEU 11 N 0.62 0.00 -1.23 1.67 3.38 -0.84 -2.24 115.31 116.67 1w9a h LEU 11 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1w9a h LEU 11 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1w9a h LEU 11 CO 0.07 0.36 0.05 0.00 0.09 0.00 0.00 178.44 179.02 1w9a h ALA 12 N 1.64 1.37 -0.32 1.53 0.00 -0.96 0.52 119.26 123.04 1w9a h ALA 12 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1w9a h ALA 12 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1w9a h ALA 12 CO 0.05 0.44 0.12 0.28 0.00 0.00 0.00 179.25 180.13 1w9a h VAL 13 N 0.57 1.19 -0.43 0.00 2.07 -1.23 -1.79 116.25 116.64 1w9a h VAL 13 Ca 0.13 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1w9a h VAL 13 Cb 0.28 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1w9a h VAL 13 CO 0.00 0.21 0.05 0.40 0.02 0.00 0.00 177.57 178.25 1w9a h ILE 14 N 0.36 1.25 0.00 4.57 2.04 -1.22 -2.51 117.51 122.00 1w9a h ILE 14 Ca 0.10 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1w9a h ILE 14 Cb 0.21 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1w9a h ILE 14 CO -0.01 0.32 -0.15 -1.28 0.00 0.00 0.00 178.15 177.03 1w9a h SER 15 N 0.57 0.00 -0.33 1.72 0.87 -0.85 -3.05 113.55 112.49 1w9a h SER 15 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1w9a h SER 15 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1w9a h SER 15 CO 0.01 0.15 0.00 0.61 -0.53 0.00 0.00 176.83 177.07 1w9a n GLY 16 N -0.60 0.59 3.26 5.77 0.00 -0.68 -4.90 105.19 108.63 1w9a n GLY 16 Ca -0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1w9a n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w9a s ASN 17 N -0.98 0.39 0.00 1.61 3.84 -1.15 -4.91 114.94 113.74 1w9a s ASN 17 Ca 0.22 -1.41 0.00 0.00 0.21 0.00 0.00 52.86 51.88 1w9a s ASN 17 Cb 0.12 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 1w9a s ASN 17 CO 0.15 -0.92 0.34 -1.54 -2.79 0.00 0.00 177.10 172.34 1w9a n SER 18 N -0.52 0.27 -4.08 -4.21 3.41 -1.26 -4.89 113.62 102.34 1w9a n SER 18 Ca 0.02 -1.09 -0.19 0.00 -0.26 0.00 0.00 58.87 57.36 1w9a n SER 18 Cb 0.65 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 1w9a n SER 18 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1w9a s ILE 19 N -0.09 0.90 0.29 -1.33 2.07 -1.26 -0.92 121.20 120.86 1w9a s ILE 19 Ca 0.00 -0.73 -0.09 0.00 -1.41 0.00 0.00 60.65 58.43 1w9a s ILE 19 Cb 0.00 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1w9a s ILE 19 CO 0.00 0.07 0.48 -0.83 -1.91 0.00 0.00 174.94 172.75 1w9a s GLY 20 N -0.74 0.91 -0.33 1.50 0.00 -0.50 -4.63 107.32 103.52 1w9a s GLY 20 Ca 0.02 -1.14 -0.10 0.00 0.00 0.00 0.00 44.72 43.49 1w9a s GLY 20 CO 0.00 -0.78 0.18 0.14 0.00 0.00 0.00 173.10 172.64 1w9a s VAL 21 N -3.57 4.72 -0.08 1.40 1.01 -0.23 -0.90 120.40 122.76 1w9a s VAL 21 Ca 0.26 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 1w9a s VAL 21 Cb -0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1w9a s VAL 21 CO 0.13 -0.00 0.57 -0.22 0.00 0.00 0.00 175.10 175.58 1w9a s LEU 22 N 1.62 4.32 -0.21 3.92 2.96 0.63 -1.19 118.68 130.73 1w9a s LEU 22 Ca 0.04 1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1w9a s LEU 22 Cb -0.17 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1w9a s LEU 22 CO 0.07 -0.02 -0.09 0.00 -1.32 0.00 0.00 176.35 174.99 1w9a s ALA 23 N 0.52 2.66 0.45 5.97 0.00 0.05 -1.82 121.76 129.58 1w9a s ALA 23 Ca 0.31 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1w9a s ALA 23 Cb -0.17 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1w9a s ALA 23 CO 0.14 -0.45 0.24 0.95 0.00 0.00 0.00 175.76 176.64 1w9a s THR 24 N 1.41 2.13 -0.19 0.00 -4.23 -0.67 -2.36 115.64 111.73 1w9a s THR 24 Ca 0.05 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1w9a s THR 24 Cb -0.14 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 1w9a s THR 24 CO -0.06 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.34 1w9a s ILE 25 N -2.64 3.55 0.93 2.99 1.01 -1.26 -0.60 121.20 125.17 1w9a s ILE 25 Ca 0.38 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1w9a s ILE 25 Cb 0.02 -2.58 0.15 0.00 0.01 0.00 0.00 42.46 40.06 1w9a s ILE 25 CO 0.21 0.46 1.10 -0.54 0.00 0.00 0.00 174.94 176.17 1w9a s LYS 26 N 0.93 0.98 0.41 2.79 1.02 0.83 -4.75 119.74 121.96 1w9a s LYS 26 Ca -0.00 0.60 0.18 0.00 0.02 0.00 0.00 55.97 56.76 1w9a s LYS 26 Cb -0.15 -1.79 1.08 0.00 -0.52 0.00 0.00 37.83 36.45 1w9a s LYS 26 CO 0.01 -2.37 1.82 1.12 -0.92 0.00 0.00 175.35 175.00 1w9a h HIS 27 N -1.64 0.61 -0.24 3.18 2.07 -1.95 -0.52 115.15 116.66 1w9a h HIS 27 Ca -0.51 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1w9a h HIS 27 Cb 1.31 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1w9a h HIS 27 CO 0.36 0.12 0.00 -0.40 -3.07 0.00 0.00 177.93 174.93 1w9a n ASP 28 N -4.56 2.06 0.00 3.10 3.85 -1.26 -4.95 116.55 114.79 1w9a n ASP 28 Ca 0.22 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.49 1w9a n ASP 28 Cb 0.77 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.39 1w9a n ASP 28 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w9a n GLY 29 N 1.20 1.53 3.84 6.12 0.00 -0.20 -5.07 105.19 112.61 1w9a n GLY 29 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1w9a n GLY 29 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1w9a s ARG 30 N -0.70 3.89 0.48 1.61 1.70 -1.26 -4.61 118.95 120.06 1w9a s ARG 30 Ca 0.00 0.96 -0.22 0.00 -0.47 0.00 0.00 55.73 56.00 1w9a s ARG 30 Cb 0.00 -2.13 -0.07 0.00 -0.57 0.00 0.00 34.95 32.19 1w9a s ARG 30 CO 0.00 -0.32 1.16 -2.14 -1.08 0.00 0.00 175.30 172.92 1w9a s PRO 31 N -4.15 3.63 -0.10 3.89 0.02 -1.26 -0.12 135.00 136.91 1w9a s PRO 31 Ca 0.59 1.75 0.04 0.00 0.02 0.00 0.00 61.00 63.40 1w9a s PRO 31 Cb -0.10 -2.30 -0.00 0.00 0.02 0.00 0.00 34.50 32.12 1w9a s PRO 31 CO 0.33 -0.66 -0.23 -1.14 -0.33 0.00 0.00 177.00 174.97 1w9a s GLN 32 N -2.85 3.01 -0.05 5.54 -0.44 0.23 -4.80 119.66 120.30 1w9a s GLN 32 Ca 0.66 -0.87 0.04 0.00 -2.50 0.00 0.00 55.36 52.69 1w9a s GLN 32 Cb -0.28 -2.30 -0.02 0.00 -1.64 0.00 0.00 33.01 28.76 1w9a s GLN 32 CO 0.33 0.21 -0.17 -0.51 0.50 0.00 0.00 175.29 175.65 1w9a s LEU 33 N 0.28 2.58 0.24 3.68 1.43 -1.26 -1.66 118.68 123.96 1w9a s LEU 33 Ca -0.17 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1w9a s LEU 33 Cb -0.17 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 1w9a s LEU 33 CO 0.08 0.32 0.47 -0.94 0.23 0.00 0.00 176.35 176.51 1w9a s SER 34 N -0.58 -0.09 0.13 2.29 1.04 -0.76 -5.00 113.70 110.73 1w9a s SER 34 Ca 0.08 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.65 1w9a s SER 34 Cb -0.11 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1w9a s SER 34 CO 0.01 -1.12 0.19 0.54 0.98 0.00 0.00 173.24 173.84 1w9a s ASN 35 N -3.00 5.92 0.01 7.02 2.20 -1.26 -0.27 114.94 125.56 1w9a s ASN 35 Ca 0.21 0.05 -0.03 0.00 -0.94 0.00 0.00 52.86 52.14 1w9a s ASN 35 Cb -0.00 -1.68 -0.01 0.00 -2.00 0.00 0.00 41.25 37.56 1w9a s ASN 35 CO 0.08 0.09 0.05 0.68 -2.94 0.00 0.00 177.10 175.06 1w9a s VAL 36 N -1.67 0.09 0.01 3.54 -7.23 -0.08 -4.87 120.40 110.20 1w9a s VAL 36 Ca 0.32 -0.74 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 1w9a s VAL 36 Cb -0.11 -0.32 -0.06 0.00 0.56 0.00 0.00 36.38 36.45 1w9a s VAL 36 CO 0.26 -0.41 0.57 -1.58 -0.31 0.00 0.00 175.10 173.62 1w9a s GLN 37 N -1.31 4.26 0.09 4.82 0.74 -1.26 -1.41 119.66 125.58 1w9a s GLN 37 Ca -0.14 0.69 -0.01 0.00 0.05 0.00 0.00 55.36 55.95 1w9a s GLN 37 Cb -0.08 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 1w9a s GLN 37 CO 0.00 0.46 0.01 1.52 -0.55 0.00 0.00 175.29 176.73 1w9a s TYR 38 N -0.47 0.71 -0.07 1.67 1.13 -0.09 -4.46 117.35 115.77 1w9a s TYR 38 Ca 0.30 -1.13 0.04 0.00 -1.41 0.00 0.00 57.07 54.86 1w9a s TYR 38 Cb -0.18 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.21 1w9a s TYR 38 CO 0.17 -0.42 -0.19 -1.58 -2.51 0.00 0.00 175.55 171.02 1w9a s HIS 39 N -3.95 2.61 -0.23 -3.49 2.46 -0.57 -4.68 115.29 107.45 1w9a s HIS 39 Ca 0.15 -0.53 -0.07 0.00 0.47 0.00 0.00 55.06 55.09 1w9a s HIS 39 Cb 0.08 -1.67 -0.03 0.00 -0.13 0.00 0.00 32.58 30.83 1w9a s HIS 39 CO -0.04 -0.09 0.05 0.12 -2.47 0.00 0.00 174.74 172.31 1w9a s PHE 40 N -0.21 3.09 -0.46 3.88 5.36 -1.26 -0.60 117.98 127.78 1w9a s PHE 40 Ca -0.01 -0.38 -0.17 0.00 -0.96 0.00 0.00 56.93 55.41 1w9a s PHE 40 Cb -0.13 -2.18 0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1w9a s PHE 40 CO 0.03 -0.27 0.44 0.34 -1.46 0.00 0.00 175.22 174.30 1w9a s ASP 41 N 1.32 6.17 0.44 6.13 -1.08 0.10 -4.97 116.67 124.78 1w9a s ASP 41 Ca 0.05 -1.07 0.23 0.00 -0.52 0.00 0.00 52.55 51.24 1w9a s ASP 41 Cb -0.15 -2.21 0.93 0.00 -1.46 0.00 0.00 42.92 40.03 1w9a s ASP 41 CO 0.03 -0.67 1.83 1.55 0.52 0.00 0.00 175.17 178.43 1w9a h PRO 42 N 8.79 0.00 0.11 4.34 0.13 -1.97 0.72 132.00 144.12 1w9a h PRO 42 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1w9a h PRO 42 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1w9a h PRO 42 CO 0.87 0.24 -0.06 -0.09 -0.23 0.00 0.00 178.00 178.73 1w9a h ARG 43 N 0.00 -0.15 -0.01 0.86 2.43 -1.96 -3.26 114.38 112.28 1w9a h ARG 43 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1w9a h ARG 43 Cb 0.73 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1w9a h ARG 43 CO 0.03 0.17 -0.29 1.63 -1.51 0.00 0.00 179.97 180.00 1w9a n LYS 44 N -5.01 1.27 -3.54 0.20 5.02 -1.21 -4.98 118.16 109.92 1w9a n LYS 44 Ca -0.09 -0.94 -0.24 0.00 -2.02 0.00 0.00 58.31 55.02 1w9a n LYS 44 Cb 0.21 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 1w9a n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1w9a n LEU 45 N -0.04 -3.84 -4.26 -0.35 4.77 0.20 -4.82 117.00 108.65 1w9a n LEU 45 Ca 0.12 -0.88 -0.25 0.00 -0.03 0.00 0.00 56.01 54.97 1w9a n LEU 45 Cb 0.43 -2.72 -0.14 0.00 -2.33 0.00 0.00 43.42 38.67 1w9a n LEU 45 CO 0.25 0.34 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.36 1w9a s LEU 46 N -6.15 2.21 -0.14 2.23 1.43 -0.92 -1.49 118.68 115.86 1w9a s LEU 46 Ca 0.38 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1w9a s LEU 46 Cb -0.10 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1w9a s LEU 46 CO 0.81 0.13 -0.08 -0.63 0.23 0.00 0.00 176.35 176.81 1w9a s ILE 47 N -0.91 3.52 -0.07 -0.59 1.01 -0.48 -0.72 121.20 122.96 1w9a s ILE 47 Ca 0.07 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1w9a s ILE 47 Cb -0.09 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1w9a s ILE 47 CO 0.03 0.51 -0.21 -1.10 0.00 0.00 0.00 174.94 174.16 1w9a s GLN 48 N 0.29 2.74 0.02 2.79 -0.21 0.23 -0.54 119.66 124.98 1w9a s GLN 48 Ca -0.06 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.49 1w9a s GLN 48 Cb -0.15 -2.29 -0.02 0.00 1.00 0.00 0.00 33.01 31.56 1w9a s GLN 48 CO 0.04 0.37 -0.04 0.08 -2.12 0.00 0.00 175.29 173.61 1w9a s VAL 49 N -0.10 0.28 -0.25 1.09 1.01 -0.30 -1.51 120.40 120.61 1w9a s VAL 49 Ca -0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 1w9a s VAL 49 Cb -0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1w9a s VAL 49 CO 0.04 -0.31 0.16 -0.55 0.00 0.00 0.00 175.10 174.44 1w9a s SER 50 N -1.11 6.00 0.13 3.32 0.15 -1.26 -0.76 113.70 120.18 1w9a s SER 50 Ca -0.09 0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.67 1w9a s SER 50 Cb -0.07 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1w9a s SER 50 CO -0.00 0.03 -0.14 0.27 1.20 0.00 0.00 173.24 174.59 1w9a s ILE 51 N 1.29 1.37 -0.13 6.45 -4.36 -0.25 -4.96 121.20 120.62 1w9a s ILE 51 Ca 0.07 -1.78 -0.05 0.00 -0.26 0.00 0.00 60.65 58.63 1w9a s ILE 51 Cb -0.14 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1w9a s ILE 51 CO 0.06 -0.44 0.05 0.00 0.24 0.00 0.00 174.94 174.85 1w9a s ALA 52 N -2.27 3.46 0.26 2.27 0.00 -1.26 0.06 121.76 124.27 1w9a s ALA 52 Ca 0.11 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1w9a s ALA 52 Cb -0.04 -1.73 0.46 0.00 0.00 0.00 0.00 23.12 21.81 1w9a s ALA 52 CO 0.03 0.46 1.80 1.49 0.00 0.00 0.00 175.76 179.54 1w9a h GLU 53 N 5.63 0.76 0.00 0.00 4.57 -1.45 -1.61 114.58 122.47 1w9a h GLU 53 Ca -0.47 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1w9a h GLU 53 Cb 1.19 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1w9a h GLU 53 CO 0.60 0.50 0.00 -1.35 -1.18 0.00 0.00 179.01 177.58 1w9a h PRO 54 N 0.78 0.00 -7.09 0.92 0.11 -1.86 -3.38 132.00 121.49 1w9a h PRO 54 Ca 0.43 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 66.07 1w9a h PRO 54 Cb 0.47 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.61 1w9a h PRO 54 CO -0.28 0.00 0.39 1.03 -0.21 0.00 0.00 178.00 178.93 1w9a s ARG 55 N -3.50 3.72 0.23 1.05 1.81 -0.61 -4.85 118.95 116.81 1w9a s ARG 55 Ca 0.01 1.36 -0.06 0.00 -1.72 0.00 0.00 55.73 55.31 1w9a s ARG 55 Cb 0.09 -2.08 0.37 0.00 -0.45 0.00 0.00 34.95 32.88 1w9a s ARG 55 CO 0.36 -0.50 1.75 0.00 -0.68 0.00 0.00 175.30 176.23 1w9a h ALA 56 N 1.41 0.96 -0.85 2.13 0.00 -1.89 -1.54 119.26 119.49 1w9a h ALA 56 Ca -0.49 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1w9a h ALA 56 Cb 1.22 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1w9a h ALA 56 CO 0.59 -0.15 0.52 1.57 0.00 0.00 0.00 179.25 181.77 1w9a h LYS 57 N 0.48 0.91 -0.13 0.00 2.10 -1.93 0.50 116.57 118.50 1w9a h LYS 57 Ca 0.37 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.88 1w9a h LYS 57 Cb 0.48 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1w9a h LYS 57 CO -0.34 0.60 -0.24 1.15 -2.00 0.00 0.00 179.45 178.62 1w9a h THR 58 N 0.94 1.37 -0.99 0.07 2.02 -1.65 -1.93 112.91 112.74 1w9a h THR 58 Ca 0.38 -1.50 0.10 0.00 0.77 0.00 0.00 66.41 66.16 1w9a h THR 58 Cb 0.21 2.02 -0.08 0.00 -1.74 0.00 0.00 68.15 68.56 1w9a h THR 58 CO -0.19 0.44 0.62 0.03 0.37 0.00 0.00 175.52 176.80 1w9a h ARG 59 N -0.01 1.01 -0.36 6.66 3.08 -1.00 -1.06 114.38 122.72 1w9a h ARG 59 Ca 0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1w9a h ARG 59 Cb 0.82 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1w9a h ARG 59 CO 0.05 0.67 0.13 -0.91 -1.07 0.00 0.00 179.97 178.85 1w9a h ASN 60 N 1.05 0.50 0.34 7.04 2.35 -0.79 -3.04 115.58 123.03 1w9a h ASN 60 Ca 0.46 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1w9a h ASN 60 Cb 0.36 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1w9a h ASN 60 CO -0.23 0.54 -0.39 -0.07 -1.65 0.00 0.00 177.43 175.63 1w9a h LEU 61 N 0.43 0.07 -1.33 1.61 3.38 -0.93 -0.02 115.31 118.51 1w9a h LEU 61 Ca 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1w9a h LEU 61 Cb 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1w9a h LEU 61 CO -0.01 0.45 -0.00 0.03 0.09 0.00 0.00 178.44 179.01 1w9a h ARG 62 N 0.06 0.45 0.16 1.13 2.47 -1.12 -2.87 114.38 114.64 1w9a h ARG 62 Ca 0.00 -0.09 -0.28 0.00 -1.26 0.00 0.00 59.98 58.36 1w9a h ARG 62 Cb 0.72 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1w9a h ARG 62 CO 0.05 0.47 -1.34 -0.09 0.56 0.00 0.00 179.97 179.63 1w9a h ARG 63 N 0.43 0.33 -2.74 0.04 2.43 -1.34 -3.45 114.38 110.09 1w9a h ARG 63 Ca 0.10 -0.56 -0.45 0.00 -0.81 0.00 0.00 59.98 58.25 1w9a h ARG 63 Cb 0.29 0.21 -0.39 0.00 -0.42 0.00 0.00 29.97 29.66 1w9a h ARG 63 CO 0.01 1.27 -0.73 0.34 -1.51 0.00 0.00 179.97 179.35 1w9a s ASP 64 N -7.15 2.66 0.00 -3.80 -1.08 -0.06 -5.04 116.67 102.20 1w9a s ASP 64 Ca -0.16 -0.88 0.23 0.00 -0.52 0.00 0.00 52.55 51.21 1w9a s ASP 64 Cb 0.04 -0.10 1.35 0.00 -1.46 0.00 0.00 42.92 42.75 1w9a s ASP 64 CO 0.82 -0.39 1.74 -0.81 0.52 0.00 0.00 175.17 177.05 1w9a n PRO 65 N 5.28 0.76 -2.03 4.34 -0.04 -1.09 -3.90 135.00 138.32 1w9a n PRO 65 Ca -0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 1w9a n PRO 65 Cb 0.46 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1w9a n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1w9a s ARG 66 N -2.00 4.24 0.03 0.54 0.52 -1.26 -0.58 118.95 120.43 1w9a s ARG 66 Ca 0.34 2.23 0.01 0.00 -0.52 0.00 0.00 55.73 57.79 1w9a s ARG 66 Cb 0.16 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 1w9a s ARG 66 CO 0.26 -0.61 -0.06 0.00 0.02 0.00 0.00 175.30 174.91 1w9a s ALA 67 N 1.87 0.40 0.05 2.13 0.00 -0.57 -4.53 121.76 121.10 1w9a s ALA 67 Ca 0.69 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1w9a s ALA 67 Cb -0.39 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1w9a s ALA 67 CO 0.31 -0.03 -0.16 -1.12 0.00 0.00 0.00 175.76 174.76 1w9a s SER 68 N -1.18 1.85 -0.08 0.00 0.01 -1.00 -1.49 113.70 111.81 1w9a s SER 68 Ca -0.09 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1w9a s SER 68 Cb -0.08 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1w9a s SER 68 CO -0.00 0.04 -0.06 -0.51 0.41 0.00 0.00 173.24 173.12 1w9a s ILE 69 N -0.91 0.77 -0.18 1.44 2.07 -0.45 -0.77 121.20 123.17 1w9a s ILE 69 Ca 0.02 -0.18 -0.13 0.00 -1.41 0.00 0.00 60.65 58.95 1w9a s ILE 69 Cb -0.08 -0.81 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1w9a s ILE 69 CO 0.02 0.31 0.25 -0.22 -1.91 0.00 0.00 174.94 173.38 1w9a s LEU 70 N 1.42 4.22 -0.09 8.50 0.20 -0.33 -1.27 118.68 131.32 1w9a s LEU 70 Ca -0.02 0.40 0.05 0.00 0.69 0.00 0.00 54.13 55.25 1w9a s LEU 70 Cb -0.13 -2.28 -0.00 0.00 -0.43 0.00 0.00 46.19 43.34 1w9a s LEU 70 CO -0.04 0.11 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.20 1w9a s VAL 71 N 0.55 2.06 0.20 1.68 1.01 0.82 -1.06 120.40 125.66 1w9a s VAL 71 Ca 0.14 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1w9a s VAL 71 Cb -0.13 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1w9a s VAL 71 CO 0.02 0.56 0.97 -1.81 0.00 0.00 0.00 175.10 174.85 1w9a s ASP 72 N 0.20 7.55 1.11 3.32 1.01 -1.26 -1.38 116.67 127.22 1w9a s ASP 72 Ca -0.15 1.94 -0.16 0.00 0.71 0.00 0.00 52.55 54.89 1w9a s ASP 72 Cb -0.17 -2.61 0.24 0.00 1.01 0.00 0.00 42.92 41.40 1w9a s ASP 72 CO 0.08 0.05 1.12 0.00 0.21 0.00 0.00 175.17 176.62 1w9a s ALA 73 N -0.80 0.87 -1.83 5.23 0.00 -0.14 -4.85 121.76 120.24 1w9a s ALA 73 Ca 0.43 -0.75 0.18 0.00 0.00 0.00 0.00 51.96 51.83 1w9a s ALA 73 Cb -0.26 -2.96 1.02 0.00 0.00 0.00 0.00 23.12 20.92 1w9a s ALA 73 CO 0.32 -3.21 1.49 -0.40 0.00 0.00 0.00 175.76 173.97 1w9a n ASP 74 N -4.46 0.00 -0.20 0.00 5.68 -1.26 -1.46 116.55 114.86 1w9a n ASP 74 Ca 0.10 -0.38 0.12 0.00 -0.50 0.00 0.00 54.79 54.13 1w9a n ASP 74 Cb 0.59 -0.09 0.21 0.00 -1.14 0.00 0.00 41.12 40.69 1w9a n ASP 74 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1w9a n ASP 75 N -1.09 1.08 -0.03 -1.12 3.85 -1.26 -4.99 116.55 112.99 1w9a n ASP 75 Ca 0.12 -0.86 -0.00 0.00 -0.71 0.00 0.00 54.79 53.34 1w9a n ASP 75 Cb 0.09 0.34 -0.00 0.00 -1.35 0.00 0.00 41.12 40.19 1w9a n ASP 75 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w9a n GLY 76 N 1.42 0.45 1.74 6.12 0.00 -0.53 -4.78 105.19 109.60 1w9a n GLY 76 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1w9a n GLY 76 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1w9a n TRP 77 N -2.85 0.00 -1.06 1.61 -0.00 -1.26 -4.94 117.44 108.94 1w9a n TRP 77 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.17 1w9a n TRP 77 Cb 0.08 0.43 0.13 0.00 -0.00 0.00 0.00 31.31 31.95 1w9a n TRP 77 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1w9a s SER 78 N -4.75 3.60 0.11 5.87 0.01 -1.26 -4.89 113.70 112.38 1w9a s SER 78 Ca 0.00 2.25 -0.25 0.00 1.31 0.00 0.00 55.95 59.25 1w9a s SER 78 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 1w9a s SER 78 CO 0.00 -2.66 0.82 -0.72 0.41 0.00 0.00 173.24 171.09 1w9a s TYR 79 N -2.36 -0.31 0.04 2.43 1.13 -0.31 -0.97 117.35 116.99 1w9a s TYR 79 Ca 0.70 0.06 0.03 0.00 -1.41 0.00 0.00 57.07 56.46 1w9a s TYR 79 Cb -0.25 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1w9a s TYR 79 CO 0.52 -0.79 -0.10 0.00 -2.51 0.00 0.00 175.55 172.68 1w9a s ALA 80 N -3.42 0.80 -0.09 9.51 0.00 -0.48 -1.33 121.76 126.75 1w9a s ALA 80 Ca 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1w9a s ALA 80 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1w9a s ALA 80 CO -0.05 0.10 -0.20 0.08 0.00 0.00 0.00 175.76 175.69 1w9a s VAL 81 N -1.00 1.79 -0.15 0.00 1.01 0.74 -0.13 120.40 122.67 1w9a s VAL 81 Ca -0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1w9a s VAL 81 Cb -0.08 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1w9a s VAL 81 CO 0.01 0.50 0.04 0.00 0.00 0.00 0.00 175.10 175.65 1w9a s ALA 82 N 0.47 3.37 0.01 5.51 0.00 -0.40 -1.28 121.76 129.43 1w9a s ALA 82 Ca -0.17 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1w9a s ALA 82 Cb -0.17 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1w9a s ALA 82 CO 0.07 0.34 -0.17 -1.21 0.00 0.00 0.00 175.76 174.79 1w9a s GLU 83 N -0.12 2.22 0.06 0.00 2.02 0.35 -1.34 118.70 121.89 1w9a s GLU 83 Ca 0.06 -0.88 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1w9a s GLU 83 Cb -0.12 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 31.89 1w9a s GLU 83 CO 0.01 0.57 0.27 0.41 0.02 0.00 0.00 175.26 176.55 1w9a n GLY 84 N 1.86 1.20 3.26 -1.39 0.00 -0.56 -1.03 105.19 108.53 1w9a n GLY 84 Ca -0.16 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1w9a n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w9a s THR 85 N -2.48 3.19 0.38 2.61 2.01 -1.26 -1.51 115.64 118.58 1w9a s THR 85 Ca 0.06 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 1w9a s THR 85 Cb -0.01 -2.53 -0.09 0.00 0.01 0.00 0.00 72.50 69.88 1w9a s THR 85 CO 0.02 0.31 1.24 0.00 -0.69 0.00 0.00 174.62 175.49 1w9a s ALA 86 N 1.42 3.26 -0.20 7.40 0.00 0.25 -4.37 121.76 129.52 1w9a s ALA 86 Ca 0.03 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 1w9a s ALA 86 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1w9a s ALA 86 CO -0.04 -0.64 -0.11 -0.65 0.00 0.00 0.00 175.76 174.33 1w9a s GLN 87 N -2.14 3.25 -0.08 0.00 -0.21 0.47 -4.86 119.66 116.08 1w9a s GLN 87 Ca 0.55 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 55.24 1w9a s GLN 87 Cb -0.35 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 1w9a s GLN 87 CO 0.45 -0.16 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.87 1w9a s LEU 88 N 1.29 3.06 0.81 2.90 2.01 -1.26 -0.90 118.68 126.59 1w9a s LEU 88 Ca 0.04 -0.09 -0.11 0.00 0.01 0.00 0.00 54.13 53.97 1w9a s LEU 88 Cb -0.14 -1.67 0.07 0.00 0.01 0.00 0.00 46.19 44.46 1w9a s LEU 88 CO -0.05 0.32 1.09 0.42 1.01 0.00 0.00 176.35 179.14 1w9a s THR 89 N -0.57 3.10 0.84 5.49 -4.23 -0.90 -5.02 115.64 114.35 1w9a s THR 89 Ca 0.08 0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.84 1w9a s THR 89 Cb -0.12 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.79 1w9a s THR 89 CO 0.02 -0.47 1.14 -2.16 -0.54 0.00 0.00 174.62 172.61 1w9a s PRO 90 N -5.08 1.60 0.46 3.99 0.04 -1.26 -4.70 135.00 130.05 1w9a s PRO 90 Ca 0.61 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 1w9a s PRO 90 Cb -0.15 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1w9a s PRO 90 CO 0.55 -2.18 1.36 -1.25 0.04 0.00 0.00 177.00 175.52 1w9a s PRO 91 N -4.60 3.64 0.08 0.56 0.04 -1.26 -4.71 135.00 128.75 1w9a s PRO 91 Ca 0.66 2.26 -0.35 0.00 0.04 0.00 0.00 61.00 63.61 1w9a s PRO 91 Cb -0.22 -2.57 -0.14 0.00 0.04 0.00 0.00 34.50 31.60 1w9a s PRO 91 CO 0.55 -0.80 1.57 0.00 0.04 0.00 0.00 177.00 178.36 1w9a n ALA 92 N -0.32 0.56 0.00 8.56 0.00 -0.10 -4.87 120.51 124.34 1w9a n ALA 92 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1w9a n ALA 92 Cb 0.43 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1w9a n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w9a n ALA 93 N 3.74 1.51 -3.10 0.00 0.00 -1.26 -4.52 120.51 116.87 1w9a n ALA 93 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 1w9a n ALA 93 Cb 0.25 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 1w9a n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w9a s ALA 94 N -1.51 -0.35 0.56 0.00 0.00 -1.26 -5.03 121.76 114.17 1w9a s ALA 94 Ca 0.00 -0.03 0.30 0.00 0.00 0.00 0.00 51.96 52.23 1w9a s ALA 94 Cb 0.00 0.06 1.79 0.00 0.00 0.00 0.00 23.12 24.97 1w9a s ALA 94 CO 0.00 -0.19 2.23 -1.00 0.00 0.00 0.00 175.76 176.80 1w9a h PRO 95 N 4.48 0.00 -0.67 0.00 0.13 -1.97 -2.22 132.00 131.76 1w9a h PRO 95 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1w9a h PRO 95 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1w9a h PRO 95 CO 0.40 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 177.80 1w9a n ASP 96 N -3.77 3.88 -4.90 1.44 5.75 -1.26 -4.84 116.55 112.85 1w9a n ASP 96 Ca -0.03 -2.00 -0.29 0.00 -0.01 0.00 0.00 54.79 52.46 1w9a n ASP 96 Cb 0.11 -0.44 0.08 0.00 -1.03 0.00 0.00 41.12 39.83 1w9a n ASP 96 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1w9a s ASP 97 N -1.10 4.79 0.43 -1.12 3.84 -0.84 -4.83 116.67 117.85 1w9a s ASP 97 Ca 0.47 0.87 0.11 0.00 -0.00 0.00 0.00 52.55 54.00 1w9a s ASP 97 Cb 0.25 -1.46 0.95 0.00 -1.38 0.00 0.00 42.92 41.28 1w9a s ASP 97 CO 0.33 -1.73 2.03 0.44 -0.00 0.00 0.00 175.17 176.24 1w9a h ASP 98 N -0.92 0.22 -0.37 2.11 3.32 -1.95 -1.83 116.42 116.99 1w9a h ASP 98 Ca -0.46 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1w9a h ASP 98 Cb 1.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1w9a h ASP 98 CO 0.65 0.25 0.04 0.74 -1.72 0.00 0.00 179.24 179.21 1w9a h THR 99 N 0.24 1.25 -0.77 0.35 2.02 -1.92 -1.96 112.91 112.12 1w9a h THR 99 Ca 0.06 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1w9a h THR 99 Cb 0.14 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1w9a h THR 99 CO 0.00 0.30 0.48 0.58 0.37 0.00 0.00 175.52 177.25 1w9a h VAL 100 N 0.47 1.21 -0.79 3.16 2.07 -1.72 -0.89 116.25 119.76 1w9a h VAL 100 Ca 0.11 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1w9a h VAL 100 Cb 0.39 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1w9a h VAL 100 CO 0.01 0.21 0.36 -0.33 0.02 0.00 0.00 177.57 177.84 1w9a h GLU 101 N 1.05 1.15 -0.41 1.57 4.39 -1.18 0.74 114.58 121.88 1w9a h GLU 101 Ca 0.28 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1w9a h GLU 101 Cb -0.07 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.36 1w9a h GLU 101 CO -0.05 0.90 -0.09 0.00 -1.16 0.00 0.00 179.01 178.61 1w9a h ALA 102 N 1.19 1.08 -0.02 3.43 0.00 -0.92 -1.54 119.26 122.47 1w9a h ALA 102 Ca 0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1w9a h ALA 102 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1w9a h ALA 102 CO -0.03 0.57 -0.58 -0.07 0.00 0.00 0.00 179.25 179.14 1w9a h LEU 103 N 0.65 0.09 -0.32 0.00 3.38 -0.58 -1.72 115.31 116.81 1w9a h LEU 103 Ca 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1w9a h LEU 103 Cb 0.53 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1w9a h LEU 103 CO 0.03 0.65 0.06 0.40 0.09 0.00 0.00 178.44 179.67 1w9a h ILE 104 N 0.06 1.23 -0.87 1.22 2.04 -0.47 -1.17 117.51 119.55 1w9a h ILE 104 Ca -0.00 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1w9a h ILE 104 Cb 1.04 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 1w9a h ILE 104 CO 0.08 0.26 0.57 0.00 0.00 0.00 0.00 178.15 179.06 1w9a h ALA 105 N 0.90 1.13 -0.43 1.87 0.00 -1.00 -1.61 119.26 120.12 1w9a h ALA 105 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1w9a h ALA 105 Cb 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1w9a h ALA 105 CO 0.00 0.46 0.02 1.25 0.00 0.00 0.00 179.25 180.98 1w9a h LEU 106 N 1.14 0.72 -0.31 0.00 5.85 -1.20 -2.42 115.31 119.08 1w9a h LEU 106 Ca 0.34 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1w9a h LEU 106 Cb -0.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1w9a h LEU 106 CO -0.10 0.83 0.09 0.22 -0.34 0.00 0.00 178.44 179.15 1w9a h TYR 107 N 0.58 0.16 -0.86 1.25 3.20 -0.83 0.24 116.97 120.70 1w9a h TYR 107 Ca 0.12 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.11 1w9a h TYR 107 Cb 0.45 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 1w9a h TYR 107 CO 0.03 0.06 0.56 0.00 -1.64 0.00 0.00 178.16 177.17 1w9a h ARG 108 N 0.21 0.82 -0.28 1.82 3.08 -1.14 0.40 114.38 119.30 1w9a h ARG 108 Ca 0.14 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1w9a h ARG 108 Cb 0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1w9a h ARG 108 CO -0.16 0.54 -0.53 -0.91 -1.07 0.00 0.00 179.97 177.84 1w9a h ASN 109 N 0.85 0.91 0.03 7.04 2.35 -0.81 -2.98 115.58 122.97 1w9a h ASN 109 Ca 0.40 -0.48 -0.20 0.00 -0.55 0.00 0.00 56.30 55.47 1w9a h ASN 109 Cb 0.41 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1w9a h ASN 109 CO -0.16 1.26 -1.06 0.40 -1.65 0.00 0.00 177.43 176.22 1w9a h ILE 110 N 0.64 1.12 0.00 2.81 2.04 -0.41 -3.43 117.51 120.27 1w9a h ILE 110 Ca 0.02 -2.28 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 1w9a h ILE 110 Cb 1.12 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1w9a h ILE 110 CO 0.12 0.50 -1.28 0.00 0.00 0.00 0.00 178.15 177.49 1w9a n ALA 111 N -3.11 2.19 0.00 1.87 0.00 0.14 -5.09 120.51 116.50 1w9a n ALA 111 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1w9a n ALA 111 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1w9a n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w9a n GLY 112 N 2.21 -1.06 3.66 0.00 0.00 -0.80 -4.94 105.19 104.26 1w9a n GLY 112 Ca -0.02 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1w9a n GLY 112 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w9a s GLU 113 N 0.00 4.27 0.37 1.61 2.56 -1.26 -3.72 118.70 122.53 1w9a s GLU 113 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 54.97 55.81 1w9a s GLU 113 Cb 0.00 -3.61 -0.09 0.00 2.00 0.00 0.00 34.13 32.43 1w9a s GLU 113 CO 0.00 -0.45 1.18 -1.58 -0.56 0.00 0.00 175.26 173.85 1w9a s HIS 114 N 2.56 3.16 -0.24 5.30 5.65 -1.26 -4.96 115.29 125.50 1w9a s HIS 114 Ca 0.39 1.56 0.21 0.00 0.25 0.00 0.00 55.06 57.47 1w9a s HIS 114 Cb -0.16 -3.42 0.39 0.00 -1.18 0.00 0.00 32.58 28.21 1w9a s HIS 114 CO 0.10 -1.27 1.61 0.66 -0.65 0.00 0.00 174.74 175.19 1w9a h SER 115 N 2.97 0.00 -2.24 9.88 4.64 -2.02 -3.40 113.55 123.38 1w9a h SER 115 Ca -0.48 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.34 1w9a h SER 115 Cb 1.23 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.97 1w9a h SER 115 CO 0.64 0.19 -0.82 -0.62 -0.87 0.00 0.00 176.83 175.35 1w9a s ASP 116 N -6.25 1.72 0.44 4.97 3.68 -1.26 -5.01 116.67 114.95 1w9a s ASP 116 Ca 0.05 -2.25 0.11 0.00 2.13 0.00 0.00 52.55 52.59 1w9a s ASP 116 Cb 0.07 0.01 0.98 0.00 -1.45 0.00 0.00 42.92 42.53 1w9a s ASP 116 CO 0.68 -0.24 2.05 -0.50 0.13 0.00 0.00 175.17 177.29 1w9a h TRP 117 N 6.49 0.26 -0.77 -5.34 4.06 -2.00 -1.50 115.95 117.15 1w9a h TRP 117 Ca 0.12 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 1w9a h TRP 117 Cb 0.99 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 29.03 1w9a h TRP 117 CO 0.33 0.23 0.33 -0.44 -3.56 0.00 0.00 178.44 175.33 1w9a h ASP 118 N 0.27 1.04 -0.63 -3.49 3.32 -1.98 0.17 116.42 115.12 1w9a h ASP 118 Ca 0.07 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1w9a h ASP 118 Cb 0.09 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1w9a h ASP 118 CO -0.01 0.91 0.36 0.44 -1.72 0.00 0.00 179.24 179.22 1w9a h ASP 119 N 1.11 0.78 -0.53 6.45 3.32 -1.73 -2.34 116.42 123.49 1w9a h ASP 119 Ca 0.26 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1w9a h ASP 119 Cb 0.18 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1w9a h ASP 119 CO -0.03 0.64 0.28 0.22 -1.72 0.00 0.00 179.24 178.64 1w9a h TYR 120 N 0.86 0.75 -0.22 4.55 3.20 -0.81 -1.09 116.97 124.21 1w9a h TYR 120 Ca 0.22 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1w9a h TYR 120 Cb 0.03 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1w9a h TYR 120 CO -0.01 0.56 0.14 0.00 -1.64 0.00 0.00 178.16 177.22 1w9a h ARG 121 N 0.71 0.29 -0.32 1.82 3.08 -0.88 -2.70 114.38 116.37 1w9a h ARG 121 Ca 0.19 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.26 1w9a h ARG 121 Cb 0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1w9a h ARG 121 CO -0.03 0.19 0.10 0.37 -1.07 0.00 0.00 179.97 179.53 1w9a h GLN 122 N 0.29 0.23 -1.70 0.04 4.15 -1.27 -2.73 115.11 114.12 1w9a h GLN 122 Ca 0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1w9a h GLN 122 Cb -0.03 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1w9a h GLN 122 CO -0.02 0.15 0.00 0.00 -1.93 0.00 0.00 178.83 177.03 1w9a n ALA 123 N -2.33 1.41 0.00 3.38 0.00 -0.43 -0.87 120.51 121.67 1w9a n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1w9a n ALA 123 Cb 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1w9a n ALA 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1w9a n VAL 125 N 0.92 0.00 -0.37 0.00 0.31 -1.03 -1.12 118.33 117.04 1w9a n VAL 125 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1w9a n VAL 125 Cb 0.00 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.08 1w9a n VAL 125 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1w9a h THR 126 N 0.00 1.16 -0.01 2.52 2.02 -1.29 -1.84 112.91 115.47 1w9a h THR 126 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1w9a h THR 126 Cb 0.00 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.21 1w9a h THR 126 CO 0.00 0.23 -0.02 -0.67 0.37 0.00 0.00 175.52 175.43 1w9a n ASP 127 N -4.45 1.18 -3.87 4.18 4.64 -0.27 -4.93 116.55 113.02 1w9a n ASP 127 Ca 0.14 -1.34 -0.25 0.00 -1.38 0.00 0.00 54.79 51.96 1w9a n ASP 127 Cb 0.11 0.01 -0.00 0.00 -1.04 0.00 0.00 41.12 40.19 1w9a n ASP 127 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1w9a n ARG 128 N -0.12 -3.57 -2.48 -0.67 1.74 -0.69 -4.15 116.66 106.72 1w9a n ARG 128 Ca 0.19 0.46 -0.35 0.00 -0.77 0.00 0.00 57.85 57.38 1w9a n ARG 128 Cb 0.31 -4.66 -0.03 0.00 -1.02 0.00 0.00 32.46 27.06 1w9a n ARG 128 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1w9a s ARG 129 N -6.38 3.85 -0.01 5.56 1.81 -1.26 -1.58 118.95 120.95 1w9a s ARG 129 Ca 0.03 1.48 0.04 0.00 -1.72 0.00 0.00 55.73 55.56 1w9a s ARG 129 Cb -0.01 -2.25 -0.01 0.00 -0.45 0.00 0.00 34.95 32.23 1w9a s ARG 129 CO 0.87 -0.41 -0.14 0.08 -0.68 0.00 0.00 175.30 175.02 1w9a s VAL 130 N -1.81 1.11 -0.26 3.52 1.01 0.11 -0.93 120.40 123.16 1w9a s VAL 130 Ca 0.65 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1w9a s VAL 130 Cb -0.20 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1w9a s VAL 130 CO 0.25 0.32 0.41 -0.22 0.00 0.00 0.00 175.10 175.85 1w9a s LEU 131 N -0.30 4.06 -0.31 3.92 2.96 -1.26 -1.09 118.68 126.67 1w9a s LEU 131 Ca 0.05 0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.17 1w9a s LEU 131 Cb -0.06 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 1w9a s LEU 131 CO -0.00 -0.19 0.39 -0.22 -1.32 0.00 0.00 176.35 175.01 1w9a s LEU 132 N 2.01 4.21 -0.22 -0.68 1.98 0.06 -2.11 118.68 123.94 1w9a s LEU 132 Ca 0.17 0.07 -0.04 0.00 -2.89 0.00 0.00 54.13 51.44 1w9a s LEU 132 Cb -0.16 -2.42 -0.01 0.00 0.66 0.00 0.00 46.19 44.26 1w9a s LEU 132 CO 0.09 -0.28 -0.02 -0.89 -1.89 0.00 0.00 176.35 173.36 1w9a s THR 133 N 2.11 3.61 -0.41 3.68 2.01 -0.08 -1.15 115.64 125.40 1w9a s THR 133 Ca 0.15 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1w9a s THR 133 Cb -0.16 -2.65 0.11 0.00 0.01 0.00 0.00 72.50 69.82 1w9a s THR 133 CO 0.11 0.41 0.22 -0.22 -0.69 0.00 0.00 174.62 174.45 1w9a s LEU 134 N 1.39 5.30 0.09 4.42 2.96 0.30 -0.40 118.68 132.73 1w9a s LEU 134 Ca 0.05 -2.02 -0.31 0.00 -0.22 0.00 0.00 54.13 51.63 1w9a s LEU 134 Cb -0.14 -1.85 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 1w9a s LEU 134 CO -0.01 -0.56 1.44 -2.84 -1.32 0.00 0.00 176.35 173.06 1w9a s PRO 135 N 1.16 4.28 -0.36 0.98 0.02 -1.26 -1.38 135.00 138.44 1w9a s PRO 135 Ca 0.08 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 62.92 1w9a s PRO 135 Cb -0.23 -3.36 0.02 0.00 0.02 0.00 0.00 34.50 30.94 1w9a s PRO 135 CO -0.04 -0.53 1.14 0.42 -0.33 0.00 0.00 177.00 177.67 1w9a s ILE 136 N 1.62 4.34 -0.08 2.83 1.01 -0.55 -4.15 121.20 126.22 1w9a s ILE 136 Ca 0.66 1.49 0.21 0.00 0.00 0.00 0.00 60.65 63.02 1w9a s ILE 136 Cb -0.37 -4.42 -0.29 0.00 0.01 0.00 0.00 42.46 37.39 1w9a s ILE 136 CO 0.30 -0.64 0.49 -1.20 0.00 0.00 0.00 174.94 173.89 1w9a n SER 137 N 7.33 0.12 -3.65 3.58 7.64 -0.20 -4.98 113.62 123.46 1w9a n SER 137 Ca 0.13 0.05 -0.14 0.00 1.01 0.00 0.00 58.87 59.91 1w9a n SER 137 Cb 0.48 1.65 -0.08 0.00 -1.01 0.00 0.00 64.21 65.24 1w9a n SER 137 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1w9a s HIS 138 N -3.35 -0.66 0.00 1.43 5.65 -1.04 -5.01 115.29 112.32 1w9a s HIS 138 Ca -0.07 1.54 0.05 0.00 0.25 0.00 0.00 55.06 56.83 1w9a s HIS 138 Cb 0.12 0.25 -0.01 0.00 -1.18 0.00 0.00 32.58 31.76 1w9a s HIS 138 CO 0.88 -0.37 -0.16 0.14 -0.65 0.00 0.00 174.74 174.59 1w9a s VAL 139 N 0.07 1.25 0.29 0.89 -7.23 -1.26 -0.49 120.40 113.92 1w9a s VAL 139 Ca -0.02 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1w9a s VAL 139 Cb -0.04 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1w9a s VAL 139 CO 0.02 0.27 0.35 -0.72 -0.31 0.00 0.00 175.10 174.71 1w9a s TYR 140 N -0.49 1.10 -4.09 2.82 1.13 -0.41 -4.99 117.35 112.42 1w9a s TYR 140 Ca 0.05 -1.29 0.00 0.00 -1.41 0.00 0.00 57.07 54.42 1w9a s TYR 140 Cb -0.07 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 1w9a s TYR 140 CO -0.00 -0.94 0.00 0.41 -2.51 0.00 0.00 175.55 172.51 1w9a n GLY 141 N -0.47 0.89 2.64 5.49 0.00 -1.26 -0.19 105.19 112.29 1w9a n GLY 141 Ca 0.02 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 1w9a n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w9a s LEU 142 N 0.00 2.34 0.84 0.99 1.43 -0.44 -5.00 118.68 118.83 1w9a s LEU 142 Ca 0.00 -2.66 -0.13 0.00 -1.03 0.00 0.00 54.13 50.31 1w9a s LEU 142 Cb 0.00 -0.88 0.11 0.00 0.03 0.00 0.00 46.19 45.45 1w9a s LEU 142 CO 0.00 -0.25 1.21 -2.16 0.23 0.00 0.00 176.35 175.38 1w9a s PRO 143 N 0.36 1.67 0.27 1.29 0.04 -1.23 -1.17 135.00 136.23 1w9a s PRO 143 Ca 0.20 0.00 -0.29 0.00 0.04 0.00 0.00 61.00 60.95 1w9a s PRO 143 Cb -0.20 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 1w9a s PRO 143 CO -0.03 -1.78 1.14 -2.30 0.04 0.00 0.00 177.00 174.08 1w9a n PRO 144 N -3.42 1.53 -0.16 0.56 -0.02 -1.26 -3.85 135.00 128.38 1w9a n PRO 144 Ca 0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1w9a n PRO 144 Cb 0.61 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1w9a n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w9a n GLY 145 N 1.46 1.78 0.00 -1.23 0.00 -1.26 -5.13 105.19 100.81 1w9a n GLY 145 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1w9a n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86