#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w9a s ASP 7 N 0.00 6.86 0.53 4.37 -1.08 -1.26 -4.89 116.67 121.21 1w9a s ASP 7 Ca 0.00 1.87 0.21 0.00 -0.52 0.00 0.00 52.55 54.11 1w9a s ASP 7 Cb 0.00 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.34 1w9a s ASP 7 CO 0.00 -0.80 2.15 0.44 0.52 0.00 0.00 175.17 177.48 1w9a h ASP 8 N 8.54 0.00 -0.36 -0.34 3.32 -2.03 -1.29 116.42 124.26 1w9a h ASP 8 Ca -0.31 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 1w9a h ASP 8 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1w9a h ASP 8 CO 0.96 0.04 -0.04 0.11 -1.72 0.00 0.00 179.24 178.58 1w9a h LYS 9 N 0.00 0.76 -0.05 3.56 1.57 -1.97 0.18 116.57 120.62 1w9a h LYS 9 Ca -0.00 -0.22 -0.25 0.00 -1.87 0.00 0.00 60.65 58.31 1w9a h LYS 9 Cb 0.08 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.32 1w9a h LYS 9 CO 0.00 0.80 -0.95 -0.07 -0.57 0.00 0.00 179.45 178.66 1w9a h LEU 10 N 0.70 0.91 -1.31 2.94 3.38 -1.67 -2.90 115.31 117.36 1w9a h LEU 10 Ca 0.13 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 1w9a h LEU 10 Cb 0.49 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1w9a h LEU 10 CO 0.03 1.48 0.36 -0.07 0.09 0.00 0.00 178.44 180.33 1w9a h LEU 11 N 0.44 0.73 -0.95 1.67 3.38 -1.17 -2.44 115.31 116.98 1w9a h LEU 11 Ca -0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1w9a h LEU 11 Cb 1.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1w9a h LEU 11 CO 0.19 0.57 0.02 0.00 0.09 0.00 0.00 178.44 179.31 1w9a h ALA 12 N 1.55 1.13 -0.17 1.53 0.00 -0.91 0.37 119.26 122.77 1w9a h ALA 12 Ca 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1w9a h ALA 12 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1w9a h ALA 12 CO -0.04 0.56 0.05 0.28 0.00 0.00 0.00 179.25 180.10 1w9a h VAL 13 N 0.74 0.94 -0.44 0.00 2.07 -1.25 -1.04 116.25 117.27 1w9a h VAL 13 Ca 0.15 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1w9a h VAL 13 Cb 0.42 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1w9a h VAL 13 CO 0.02 0.02 0.27 0.40 0.02 0.00 0.00 177.57 178.30 1w9a h ILE 14 N 0.13 1.14 -0.89 4.57 2.04 -0.97 -2.95 117.51 120.58 1w9a h ILE 14 Ca 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1w9a h ILE 14 Cb 0.06 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1w9a h ILE 14 CO -0.09 0.14 0.58 0.28 0.00 0.00 0.00 178.15 179.05 1w9a h SER 15 N 0.58 1.04 -0.05 1.72 0.02 -0.72 -3.12 113.55 113.02 1w9a h SER 15 Ca 0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1w9a h SER 15 Cb -0.01 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1w9a h SER 15 CO -0.03 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 1w9a n GLY 16 N -1.36 -0.42 3.57 -3.77 0.00 -0.42 -4.86 105.19 97.94 1w9a n GLY 16 Ca 0.10 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.73 3.11 0.00 1.61 3.84 -1.18 -5.07 114.94 115.51 1w9a s ASN 17 Ca 0.35 -1.59 0.00 0.00 0.21 0.00 0.00 52.86 51.83 1w9a s ASN 17 Cb 0.17 0.33 0.00 0.00 -0.55 0.00 0.00 41.25 41.20 1w9a s ASN 17 CO 0.28 -0.81 0.04 -1.54 -2.79 0.00 0.00 177.10 172.28 1w9a n SER 18 N -1.15 0.00 -4.22 -4.21 3.41 -1.26 -4.96 113.62 101.24 1w9a n SER 18 Ca -0.08 -1.00 -0.19 0.00 -0.26 0.00 0.00 58.87 57.34 1w9a n SER 18 Cb 0.66 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.49 1w9a n SER 18 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1w9a s ILE 19 N 0.00 1.28 0.29 -1.33 -4.36 -1.26 -1.22 121.20 114.60 1w9a s ILE 19 Ca 0.00 -1.54 -0.16 0.00 -0.26 0.00 0.00 60.65 58.70 1w9a s ILE 19 Cb 0.00 -1.35 0.06 0.00 1.25 0.00 0.00 42.46 42.41 1w9a s ILE 19 CO 0.00 -0.31 0.79 0.61 0.24 0.00 0.00 174.94 176.28 1w9a n GLY 20 N 0.88 0.93 3.54 6.27 0.00 -0.47 -4.62 105.19 111.73 1w9a n GLY 20 Ca -0.18 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1w9a n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w9a s VAL 21 N -2.16 5.26 0.00 1.61 1.01 0.39 -0.98 120.40 125.54 1w9a s VAL 21 Ca 0.17 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1w9a s VAL 21 Cb -0.04 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1w9a s VAL 21 CO 0.09 0.00 0.55 -0.22 0.00 0.00 0.00 175.10 175.52 1w9a s LEU 22 N 1.80 4.43 -0.15 3.92 2.96 0.25 -0.79 118.68 131.11 1w9a s LEU 22 Ca 0.08 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1w9a s LEU 22 Cb -0.17 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.69 1w9a s LEU 22 CO 0.11 0.16 -0.13 0.00 -1.32 0.00 0.00 176.35 175.16 1w9a s ALA 23 N -0.41 1.82 0.43 5.97 0.00 0.09 -2.04 121.76 127.62 1w9a s ALA 23 Ca 0.29 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1w9a s ALA 23 Cb -0.18 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.82 1w9a s ALA 23 CO 0.16 -0.40 0.01 0.95 0.00 0.00 0.00 175.76 176.48 1w9a s THR 24 N 1.50 1.83 -0.24 0.00 -4.23 -0.86 -2.01 115.64 111.64 1w9a s THR 24 Ca 0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 1w9a s THR 24 Cb -0.13 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 1w9a s THR 24 CO -0.10 0.00 0.06 -0.63 -0.54 0.00 0.00 174.62 173.41 1w9a s ILE 25 N -2.75 4.34 0.76 2.99 1.01 -1.26 -0.27 121.20 126.02 1w9a s ILE 25 Ca 0.29 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 1w9a s ILE 25 Cb 0.08 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.59 1w9a s ILE 25 CO 0.15 0.36 1.11 -0.54 0.00 0.00 0.00 174.94 176.02 1w9a s LYS 26 N 1.39 2.40 0.27 2.79 1.02 -0.08 -3.94 119.74 123.58 1w9a s LYS 26 Ca 0.05 0.47 -0.02 0.00 0.02 0.00 0.00 55.97 56.50 1w9a s LYS 26 Cb -0.15 -1.97 0.58 0.00 -0.52 0.00 0.00 37.83 35.77 1w9a s LYS 26 CO 0.03 -1.36 1.67 1.25 -0.92 0.00 0.00 175.35 176.02 1w9a h HIS 27 N -0.90 0.33 -0.00 3.18 -0.00 -1.73 -1.19 115.15 114.84 1w9a h HIS 27 Ca -0.46 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 1w9a h HIS 27 Cb 1.27 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1w9a h HIS 27 CO 0.45 -0.13 0.00 -0.40 -0.00 0.00 0.00 177.93 177.86 1w9a n ASP 28 N -5.18 0.17 0.00 3.26 5.75 -1.26 -4.87 116.55 114.42 1w9a n ASP 28 Ca 0.18 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1w9a n ASP 28 Cb 0.56 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1w9a n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w9a n GLY 29 N 0.99 1.36 3.78 6.12 0.00 -0.45 -5.07 105.19 111.92 1w9a n GLY 29 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1w9a n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w9a s ARG 30 N -0.86 4.16 0.43 1.61 0.52 -1.26 -4.70 118.95 118.84 1w9a s ARG 30 Ca 0.00 1.58 -0.25 0.00 -0.52 0.00 0.00 55.73 56.54 1w9a s ARG 30 Cb 0.00 -2.59 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 1w9a s ARG 30 CO 0.00 -0.16 1.24 -2.14 0.02 0.00 0.00 175.30 174.26 1w9a s PRO 31 N -2.42 3.87 -0.17 3.54 0.02 -1.26 -0.90 135.00 137.68 1w9a s PRO 31 Ca 0.57 1.98 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 1w9a s PRO 31 Cb -0.24 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 1w9a s PRO 31 CO 0.30 -0.52 0.02 -1.14 -0.33 0.00 0.00 177.00 175.33 1w9a s GLN 32 N -2.42 3.84 0.05 5.54 2.00 0.63 -4.84 119.66 124.46 1w9a s GLN 32 Ca 0.60 -0.41 0.07 0.00 -2.00 0.00 0.00 55.36 53.62 1w9a s GLN 32 Cb -0.34 -3.08 -0.03 0.00 0.80 0.00 0.00 33.01 30.35 1w9a s GLN 32 CO 0.42 0.27 -0.18 -0.51 -0.50 0.00 0.00 175.29 174.80 1w9a s LEU 33 N 0.33 2.63 0.05 3.68 1.43 -1.26 -2.03 118.68 123.52 1w9a s LEU 33 Ca 0.00 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 1w9a s LEU 33 Cb -0.13 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.62 1w9a s LEU 33 CO 0.01 0.24 0.58 -0.94 0.23 0.00 0.00 176.35 176.48 1w9a s SER 34 N -1.56 -0.53 -0.14 2.29 1.04 -0.87 -4.99 113.70 108.94 1w9a s SER 34 Ca 0.15 0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.63 1w9a s SER 34 Cb -0.11 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1w9a s SER 34 CO 0.06 -0.76 0.65 0.20 0.98 0.00 0.00 173.24 174.37 1w9a s ASN 35 N -1.99 6.80 0.10 7.02 0.01 -1.26 -0.58 114.94 125.05 1w9a s ASN 35 Ca -0.05 0.97 0.04 0.00 -0.71 0.00 0.00 52.86 53.11 1w9a s ASN 35 Cb -0.01 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1w9a s ASN 35 CO -0.02 -0.20 -0.10 0.68 -1.51 0.00 0.00 177.10 175.96 1w9a s VAL 36 N 1.40 0.95 0.21 1.60 -7.23 -0.15 -4.97 120.40 112.21 1w9a s VAL 36 Ca 0.32 -1.72 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 1w9a s VAL 36 Cb -0.16 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.25 1w9a s VAL 36 CO 0.13 -0.61 0.63 -1.10 -0.31 0.00 0.00 175.10 173.84 1w9a s GLN 37 N -3.01 4.05 0.06 4.82 -0.21 -1.26 -1.37 119.66 122.74 1w9a s GLN 37 Ca 0.08 0.61 -0.02 0.00 0.02 0.00 0.00 55.36 56.05 1w9a s GLN 37 Cb -0.01 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1w9a s GLN 37 CO -0.00 0.38 0.00 1.52 -2.12 0.00 0.00 175.29 175.07 1w9a s TYR 38 N -1.61 0.53 -0.09 0.91 1.13 -0.36 -4.48 117.35 113.39 1w9a s TYR 38 Ca 0.43 -1.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.06 1w9a s TYR 38 Cb -0.14 -0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.32 1w9a s TYR 38 CO 0.20 -0.41 -0.12 -1.58 -2.51 0.00 0.00 175.55 171.13 1w9a s HIS 39 N -3.93 2.81 -0.17 -3.49 5.65 0.10 -4.76 115.29 111.50 1w9a s HIS 39 Ca 0.09 -0.28 -0.01 0.00 0.25 0.00 0.00 55.06 55.10 1w9a s HIS 39 Cb 0.08 -1.74 -0.01 0.00 -1.18 0.00 0.00 32.58 29.73 1w9a s HIS 39 CO -0.09 0.07 -0.11 0.12 -0.65 0.00 0.00 174.74 174.09 1w9a s PHE 40 N -0.32 2.86 -0.46 3.88 5.99 -1.26 -0.36 117.98 128.31 1w9a s PHE 40 Ca 0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 56.93 55.86 1w9a s PHE 40 Cb -0.13 -1.96 0.06 0.00 0.00 0.00 0.00 43.02 40.99 1w9a s PHE 40 CO 0.03 -0.45 0.41 0.34 -0.00 0.00 0.00 175.22 175.54 1w9a s ASP 41 N 0.96 6.15 0.23 6.13 -1.08 0.16 -4.95 116.67 124.27 1w9a s ASP 41 Ca -0.02 -1.15 0.25 0.00 -0.52 0.00 0.00 52.55 51.11 1w9a s ASP 41 Cb -0.15 -2.19 0.90 0.00 -1.46 0.00 0.00 42.92 40.02 1w9a s ASP 41 CO -0.01 -0.63 1.75 -0.81 0.52 0.00 0.00 175.17 175.98 1w9a n PRO 42 N 5.33 0.23 -0.06 4.34 -0.04 -1.26 -0.64 135.00 142.90 1w9a n PRO 42 Ca -0.11 0.32 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 1w9a n PRO 42 Cb 0.45 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 31.94 1w9a n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1w9a h ARG 43 N 0.00 0.09 0.00 0.54 -0.00 -1.96 -3.36 114.38 109.69 1w9a h ARG 43 Ca 0.00 -0.15 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 1w9a h ARG 43 Cb 0.55 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.58 1w9a h ARG 43 CO 0.00 1.07 -0.27 0.87 0.00 0.00 0.00 179.97 181.64 1w9a h LYS 44 N -0.73 0.00 -5.65 0.04 1.57 -1.99 -3.48 116.57 106.33 1w9a h LYS 44 Ca -0.27 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.23 1w9a h LYS 44 Cb 1.42 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.89 1w9a h LYS 44 CO -0.07 0.00 -0.81 1.28 -0.57 0.00 0.00 179.45 179.28 1w9a n LEU 45 N -2.24 -5.04 -3.98 2.94 4.77 0.18 -4.84 117.00 108.79 1w9a n LEU 45 Ca 0.04 -0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 55.21 1w9a n LEU 45 Cb 0.44 -3.01 -0.09 0.00 -2.33 0.00 0.00 43.42 38.43 1w9a n LEU 45 CO 0.33 0.08 -0.25 -1.48 -1.33 0.00 0.00 177.39 174.75 1w9a s LEU 46 N -5.52 2.01 -0.03 2.23 0.05 -1.06 -1.27 118.68 115.10 1w9a s LEU 46 Ca 0.42 -0.80 0.06 0.00 0.05 0.00 0.00 54.13 53.86 1w9a s LEU 46 Cb -0.08 0.55 -0.01 0.00 -2.05 0.00 0.00 46.19 44.60 1w9a s LEU 46 CO 0.77 -0.63 -0.21 -0.63 -0.55 0.00 0.00 176.35 175.11 1w9a s ILE 47 N -3.66 1.65 -0.04 1.48 1.01 -0.60 -0.67 121.20 120.37 1w9a s ILE 47 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1w9a s ILE 47 Cb 0.05 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1w9a s ILE 47 CO -0.09 0.47 -0.18 -1.10 0.00 0.00 0.00 174.94 174.04 1w9a s GLN 48 N -0.36 1.84 0.05 2.79 -0.21 0.51 0.25 119.66 124.53 1w9a s GLN 48 Ca 0.05 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 54.81 1w9a s GLN 48 Cb -0.09 -1.60 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 1w9a s GLN 48 CO 0.00 0.26 -0.07 0.08 -2.12 0.00 0.00 175.29 173.45 1w9a s VAL 49 N 0.01 0.49 -0.05 1.09 1.01 -0.53 -0.72 120.40 121.70 1w9a s VAL 49 Ca -0.04 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1w9a s VAL 49 Cb -0.12 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1w9a s VAL 49 CO 0.02 -0.53 -0.13 -0.94 0.00 0.00 0.00 175.10 173.52 1w9a s SER 50 N -1.93 4.16 0.05 3.32 1.04 -1.26 -0.61 113.70 118.47 1w9a s SER 50 Ca -0.06 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1w9a s SER 50 Cb -0.06 -0.90 -0.03 0.00 0.10 0.00 0.00 66.02 65.13 1w9a s SER 50 CO -0.01 0.34 -0.07 0.27 0.98 0.00 0.00 173.24 174.74 1w9a s ILE 51 N -0.77 0.56 0.48 -1.02 -4.36 -0.60 -4.95 121.20 110.53 1w9a s ILE 51 Ca 0.12 -1.24 -0.23 0.00 -0.26 0.00 0.00 60.65 59.04 1w9a s ILE 51 Cb -0.11 -0.81 -0.07 0.00 1.25 0.00 0.00 42.46 42.72 1w9a s ILE 51 CO 0.01 -0.48 1.25 0.00 0.24 0.00 0.00 174.94 175.96 1w9a s ALA 52 N -1.82 2.97 0.02 2.27 0.00 -1.26 -0.16 121.76 123.78 1w9a s ALA 52 Ca -0.06 1.11 -0.36 0.00 0.00 0.00 0.00 51.96 52.65 1w9a s ALA 52 Cb -0.07 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 1w9a s ALA 52 CO -0.01 -0.91 1.59 -1.91 0.00 0.00 0.00 175.76 174.52 1w9a n GLU 53 N -0.55 1.69 -2.18 0.00 4.07 -0.37 -4.79 120.64 118.51 1w9a n GLU 53 Ca 0.08 0.61 -0.37 0.00 -0.06 0.00 0.00 57.16 57.42 1w9a n GLU 53 Cb 0.46 -2.35 -0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1w9a n GLU 53 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1w9a s PRO 54 N 1.78 3.67 0.23 5.31 0.04 -1.26 -5.05 135.00 139.72 1w9a s PRO 54 Ca 0.86 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.78 1w9a s PRO 54 Cb -0.83 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1w9a s PRO 54 CO 0.47 -0.65 0.01 1.03 0.04 0.00 0.00 177.00 177.91 1w9a s ARG 55 N -2.72 1.33 4.63 4.56 0.52 -1.26 -4.45 118.95 121.56 1w9a s ARG 55 Ca 0.65 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1w9a s ARG 55 Cb -0.31 -0.55 0.00 0.00 0.52 0.00 0.00 34.95 34.62 1w9a s ARG 55 CO 0.37 -0.13 0.00 0.00 0.02 0.00 0.00 175.30 175.56 1w9a n ALA 56 N -0.41 0.00 0.28 2.13 0.00 -1.26 -2.42 120.51 118.83 1w9a n ALA 56 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1w9a n ALA 56 Cb 0.64 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.87 1w9a n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1w9a h LYS 57 N 0.00 0.00 0.00 0.00 1.57 -2.00 -1.62 116.57 114.52 1w9a h LYS 57 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1w9a h LYS 57 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1w9a h LYS 57 CO 0.00 0.01 -0.14 1.15 -0.57 0.00 0.00 179.45 179.90 1w9a h THR 58 N 0.00 0.61 -0.12 -0.16 2.02 -1.82 -2.35 112.91 111.09 1w9a h THR 58 Ca -0.00 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1w9a h THR 58 Cb 0.02 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1w9a h THR 58 CO 0.00 0.14 0.19 -0.09 0.37 0.00 0.00 175.52 176.13 1w9a h ARG 59 N 0.00 0.00 -0.07 6.66 2.43 -1.28 -1.96 114.38 120.17 1w9a h ARG 59 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1w9a h ARG 59 Cb 0.39 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1w9a h ARG 59 CO 0.02 0.00 0.32 -0.97 -1.51 0.00 0.00 179.97 177.83 1w9a h ASN 60 N 0.00 0.00 -0.91 -3.80 -1.24 -1.76 0.34 115.58 108.20 1w9a h ASN 60 Ca 0.06 0.00 0.24 0.00 0.71 0.00 0.00 56.30 57.30 1w9a h ASN 60 Cb 0.44 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 1w9a h ASN 60 CO -0.00 0.00 0.63 0.25 -1.29 0.00 0.00 177.43 177.02 1w9a h LEU 61 N 0.00 0.20 -0.19 0.34 5.85 -1.47 0.64 115.31 120.68 1w9a h LEU 61 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1w9a h LEU 61 Cb 0.67 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1w9a h LEU 61 CO -0.00 0.07 0.00 0.54 -0.34 0.00 0.00 178.44 178.71 1w9a n ARG 62 N -4.40 0.07 -0.00 1.25 5.12 0.11 -3.12 116.66 115.69 1w9a n ARG 62 Ca 0.19 0.27 0.01 0.00 -1.93 0.00 0.00 57.85 56.39 1w9a n ARG 62 Cb 0.85 -1.62 -0.01 0.00 -1.16 0.00 0.00 32.46 30.53 1w9a n ARG 62 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1w9a n ARG 63 N -1.74 1.63 -3.57 5.56 1.85 -0.17 -4.90 116.66 115.31 1w9a n ARG 63 Ca 0.04 -0.01 -0.29 0.00 -1.00 0.00 0.00 57.85 56.59 1w9a n ARG 63 Cb 0.22 -0.91 -0.12 0.00 -1.05 0.00 0.00 32.46 30.60 1w9a n ARG 63 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1w9a s ASP 64 N -1.88 3.16 -0.04 2.89 -1.08 0.04 -5.01 116.67 114.74 1w9a s ASP 64 Ca -0.00 -2.48 0.04 0.00 -0.52 0.00 0.00 52.55 49.59 1w9a s ASP 64 Cb 0.01 -0.69 0.20 0.00 -1.46 0.00 0.00 42.92 40.98 1w9a s ASP 64 CO 0.05 -0.27 0.93 -0.81 0.52 0.00 0.00 175.17 175.58 1w9a n PRO 65 N 3.69 1.84 -2.06 4.34 -0.04 -1.18 -4.27 135.00 137.31 1w9a n PRO 65 Ca 0.12 -0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 62.38 1w9a n PRO 65 Cb 0.37 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.55 4.28 0.04 0.54 0.52 -1.26 -0.43 118.95 121.08 1w9a s ARG 66 Ca 0.14 2.21 -0.14 0.00 -0.52 0.00 0.00 55.73 57.41 1w9a s ARG 66 Cb 0.10 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 32.39 1w9a s ARG 66 CO 0.06 -0.50 0.31 0.00 0.02 0.00 0.00 175.30 175.19 1w9a s ALA 67 N 1.03 -0.71 0.06 2.13 0.00 -0.72 -4.30 121.76 119.24 1w9a s ALA 67 Ca 0.66 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1w9a s ALA 67 Cb -0.40 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1w9a s ALA 67 CO 0.32 -0.42 -0.05 -1.12 0.00 0.00 0.00 175.76 174.49 1w9a s SER 68 N -2.06 0.71 -0.04 0.00 0.01 -0.85 -1.78 113.70 109.69 1w9a s SER 68 Ca -0.05 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1w9a s SER 68 Cb -0.01 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.37 1w9a s SER 68 CO -0.03 -0.46 -0.02 -0.63 0.41 0.00 0.00 173.24 172.51 1w9a s ILE 69 N -3.10 0.38 -0.18 1.44 1.01 -0.14 -0.73 121.20 119.88 1w9a s ILE 69 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 1w9a s ILE 69 Cb 0.02 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1w9a s ILE 69 CO -0.05 0.20 0.11 -0.22 0.00 0.00 0.00 174.94 174.98 1w9a s LEU 70 N 1.12 4.14 -0.10 2.97 0.20 0.03 -1.23 118.68 125.80 1w9a s LEU 70 Ca -0.08 0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.99 1w9a s LEU 70 Cb -0.14 -2.05 0.01 0.00 -0.43 0.00 0.00 46.19 43.58 1w9a s LEU 70 CO -0.01 0.22 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.42 1w9a s VAL 71 N 0.10 1.50 0.30 1.68 1.01 0.28 -0.46 120.40 124.80 1w9a s VAL 71 Ca 0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1w9a s VAL 71 Cb -0.11 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 1w9a s VAL 71 CO -0.00 0.44 1.06 -1.81 0.00 0.00 0.00 175.10 174.78 1w9a s ASP 72 N 0.89 7.22 0.97 3.32 -0.00 -1.26 -1.31 116.67 126.51 1w9a s ASP 72 Ca -0.09 2.15 -0.10 0.00 -0.00 0.00 0.00 52.55 54.51 1w9a s ASP 72 Cb -0.15 -2.61 0.14 0.00 -0.00 0.00 0.00 42.92 40.30 1w9a s ASP 72 CO -0.00 -0.17 0.85 0.00 -0.00 0.00 0.00 175.17 175.85 1w9a n ALA 73 N 0.93 -0.92 0.40 5.23 0.00 -0.76 -4.89 120.51 120.50 1w9a n ALA 73 Ca 0.00 -1.14 0.11 0.00 0.00 0.00 0.00 53.44 52.42 1w9a n ALA 73 Cb 0.46 -0.04 0.18 0.00 0.00 0.00 0.00 19.45 20.05 1w9a n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1w9a n ASP 74 N -3.52 3.24 -0.23 0.00 5.68 -1.26 -4.93 116.55 115.54 1w9a n ASP 74 Ca 0.11 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1w9a n ASP 74 Cb 0.38 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 1.35 0.00 0.36 -1.12 3.85 -1.26 -5.06 116.55 114.67 1w9a n ASP 75 Ca 0.17 0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 54.10 1w9a n ASP 75 Cb 0.57 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.27 1w9a n ASP 75 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1w9a h GLY 76 N 0.00 -0.99 0.00 6.12 0.00 -2.04 -3.42 103.07 102.74 1w9a h GLY 76 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1w9a h GLY 76 CO 0.00 -0.36 -0.16 0.79 0.00 0.00 0.00 176.54 176.81 1w9a n TRP 77 N -5.13 0.00 -1.70 5.60 7.02 -1.26 -5.06 117.44 116.90 1w9a n TRP 77 Ca -0.12 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.02 1w9a n TRP 77 Cb 0.37 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.32 1w9a n TRP 77 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1w9a s SER 78 N -0.92 4.77 0.03 -0.99 0.01 -1.26 -4.94 113.70 110.39 1w9a s SER 78 Ca 0.00 2.25 -0.28 0.00 1.31 0.00 0.00 55.95 59.23 1w9a s SER 78 Cb 0.00 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.75 1w9a s SER 78 CO 0.00 -1.87 0.83 -0.72 0.41 0.00 0.00 173.24 171.89 1w9a s TYR 79 N -1.99 -0.39 0.01 2.43 1.13 -0.57 -1.83 117.35 116.14 1w9a s TYR 79 Ca 0.73 0.24 0.04 0.00 -1.41 0.00 0.00 57.07 56.67 1w9a s TYR 79 Cb -0.27 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.12 1w9a s TYR 79 CO 0.40 -0.60 -0.14 0.00 -2.51 0.00 0.00 175.55 172.70 1w9a s ALA 80 N -3.23 1.15 -0.11 9.51 0.00 -0.42 -0.79 121.76 127.87 1w9a s ALA 80 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1w9a s ALA 80 Cb -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1w9a s ALA 80 CO -0.10 0.26 -0.19 0.08 0.00 0.00 0.00 175.76 175.81 1w9a s VAL 81 N -0.52 1.79 -0.15 0.00 1.01 0.12 -0.56 120.40 122.09 1w9a s VAL 81 Ca 0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1w9a s VAL 81 Cb -0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1w9a s VAL 81 CO 0.00 0.50 0.05 0.00 0.00 0.00 0.00 175.10 175.65 1w9a s ALA 82 N 0.75 3.39 -0.01 5.51 0.00 -0.37 -1.24 121.76 129.79 1w9a s ALA 82 Ca -0.10 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1w9a s ALA 82 Cb -0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1w9a s ALA 82 CO 0.01 0.34 -0.21 -2.00 0.00 0.00 0.00 175.76 173.91 1w9a s GLU 83 N -0.12 1.65 0.03 0.00 2.12 -0.01 -0.96 118.70 121.41 1w9a s GLU 83 Ca 0.06 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.59 1w9a s GLU 83 Cb -0.12 -1.61 0.02 0.00 0.26 0.00 0.00 34.13 32.67 1w9a s GLU 83 CO 0.01 0.44 0.21 0.41 -0.54 0.00 0.00 175.26 175.80 1w9a n GLY 84 N 2.50 1.07 3.36 -1.50 0.00 -0.73 -0.37 105.19 109.52 1w9a n GLY 84 Ca -0.15 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.42 3.92 0.33 2.61 2.01 -1.26 -1.75 115.64 119.08 1w9a s THR 85 Ca 0.05 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 1w9a s THR 85 Cb -0.00 -2.93 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 1w9a s THR 85 CO 0.01 0.22 1.13 0.00 -0.69 0.00 0.00 174.62 175.28 1w9a s ALA 86 N 1.52 3.30 -0.16 7.40 0.00 0.43 -4.37 121.76 129.88 1w9a s ALA 86 Ca 0.04 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 1w9a s ALA 86 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1w9a s ALA 86 CO 0.01 -0.30 -0.01 -0.65 0.00 0.00 0.00 175.76 174.81 1w9a s GLN 87 N -1.86 3.74 -0.06 0.00 -0.21 0.33 -4.82 119.66 116.80 1w9a s GLN 87 Ca 0.50 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 55.45 1w9a s GLN 87 Cb -0.31 -2.99 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 1w9a s GLN 87 CO 0.39 0.26 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.14 1w9a s LEU 88 N 0.34 2.56 0.76 2.90 1.02 -1.26 -0.68 118.68 124.31 1w9a s LEU 88 Ca -0.02 -0.29 -0.11 0.00 0.02 0.00 0.00 54.13 53.73 1w9a s LEU 88 Cb -0.14 -1.51 0.05 0.00 0.02 0.00 0.00 46.19 44.61 1w9a s LEU 88 CO 0.02 0.31 1.09 0.42 0.02 0.00 0.00 176.35 178.21 1w9a s THR 89 N -0.52 3.39 0.85 5.49 -4.23 -0.95 -5.02 115.64 114.65 1w9a s THR 89 Ca 0.07 0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1w9a s THR 89 Cb -0.11 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.59 1w9a s THR 89 CO 0.01 -0.59 1.17 -2.65 -0.54 0.00 0.00 174.62 172.02 1w9a n PRO 90 N -3.29 -0.05 -2.23 3.99 -0.02 -1.26 -4.69 135.00 127.46 1w9a n PRO 90 Ca 0.07 0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 1w9a n PRO 90 Cb 0.56 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1w9a n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1w9a s PRO 91 N -4.27 3.66 0.14 0.52 0.04 -1.26 -4.72 135.00 129.11 1w9a s PRO 91 Ca 0.71 1.78 -0.34 0.00 0.04 0.00 0.00 61.00 63.19 1w9a s PRO 91 Cb -0.27 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.80 1w9a s PRO 91 CO 0.54 -0.64 1.62 0.00 0.04 0.00 0.00 177.00 178.56 1w9a n ALA 92 N -0.64 1.44 0.00 8.56 0.00 0.18 -4.86 120.51 125.19 1w9a n ALA 92 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1w9a n ALA 92 Cb 0.48 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 3.80 1.04 -3.04 0.00 0.00 -1.26 -4.43 120.51 116.62 1w9a n ALA 93 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1w9a n ALA 93 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.00 -0.21 0.09 0.00 0.00 -1.26 -5.03 121.76 114.35 1w9a s ALA 94 Ca 0.00 -0.08 0.32 0.00 0.00 0.00 0.00 51.96 52.20 1w9a s ALA 94 Cb 0.00 0.02 1.59 0.00 0.00 0.00 0.00 23.12 24.73 1w9a s ALA 94 CO 0.00 -0.14 1.96 -1.00 0.00 0.00 0.00 175.76 176.58 1w9a h PRO 95 N 4.95 0.00 -0.17 0.00 0.13 -1.97 -2.14 132.00 132.80 1w9a h PRO 95 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1w9a h PRO 95 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1w9a h PRO 95 CO 0.42 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.79 1w9a n ASP 96 N -2.68 2.93 -4.84 1.44 5.75 -1.26 -4.83 116.55 113.07 1w9a n ASP 96 Ca -0.01 -2.58 -0.29 0.00 -0.01 0.00 0.00 54.79 51.90 1w9a n ASP 96 Cb 0.13 -0.33 0.10 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.73 4.19 0.39 -1.12 1.47 -0.81 -4.79 116.67 114.26 1w9a s ASP 97 Ca 0.27 0.96 0.05 0.00 1.18 0.00 0.00 52.55 55.01 1w9a s ASP 97 Cb 0.21 -1.54 0.77 0.00 -0.34 0.00 0.00 42.92 42.02 1w9a s ASP 97 CO 0.08 -2.12 2.04 0.44 0.68 0.00 0.00 175.17 176.28 1w9a h ASP 98 N -1.20 0.58 -0.21 2.11 3.32 -1.97 -1.82 116.42 117.21 1w9a h ASP 98 Ca -0.48 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1w9a h ASP 98 Cb 1.32 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1w9a h ASP 98 CO 0.63 0.42 0.10 0.74 -1.72 0.00 0.00 179.24 179.41 1w9a h THR 99 N 0.68 1.13 -0.61 0.35 2.02 -1.92 -1.52 112.91 113.04 1w9a h THR 99 Ca 0.19 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1w9a h THR 99 Cb -0.06 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1w9a h THR 99 CO -0.04 0.13 0.26 0.58 0.37 0.00 0.00 175.52 176.82 1w9a h VAL 100 N 0.22 1.23 -0.86 3.16 2.07 -1.67 -0.50 116.25 119.89 1w9a h VAL 100 Ca 0.07 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1w9a h VAL 100 Cb 0.11 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1w9a h VAL 100 CO -0.01 0.27 0.54 -0.33 0.02 0.00 0.00 177.57 178.06 1w9a h GLU 101 N 0.85 0.98 -0.57 1.57 4.39 -1.25 0.16 114.58 120.71 1w9a h GLU 101 Ca 0.21 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1w9a h GLU 101 Cb 0.17 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1w9a h GLU 101 CO -0.02 0.65 0.10 0.00 -1.16 0.00 0.00 179.01 178.58 1w9a h ALA 102 N 1.39 1.11 -0.06 3.43 0.00 -0.77 -2.06 119.26 122.30 1w9a h ALA 102 Ca 0.36 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1w9a h ALA 102 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1w9a h ALA 102 CO -0.15 0.58 -0.54 -0.07 0.00 0.00 0.00 179.25 179.07 1w9a h LEU 103 N 0.85 0.20 -0.35 0.00 3.38 -0.03 -1.59 115.31 117.78 1w9a h LEU 103 Ca 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1w9a h LEU 103 Cb 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1w9a h LEU 103 CO 0.01 0.70 0.08 0.40 0.09 0.00 0.00 178.44 179.72 1w9a h ILE 104 N 0.14 1.22 -0.63 1.22 2.04 -0.47 -0.78 117.51 120.25 1w9a h ILE 104 Ca 0.00 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1w9a h ILE 104 Cb 1.00 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1w9a h ILE 104 CO 0.08 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.85 1w9a h ALA 105 N 0.93 1.45 -0.19 1.87 0.00 -1.14 -1.37 119.26 120.81 1w9a h ALA 105 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1w9a h ALA 105 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1w9a h ALA 105 CO 0.00 0.47 0.04 1.25 0.00 0.00 0.00 179.25 181.01 1w9a h LEU 106 N 0.87 0.29 -0.33 0.00 5.85 -1.10 -0.76 115.31 120.14 1w9a h LEU 106 Ca 0.23 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1w9a h LEU 106 Cb -0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1w9a h LEU 106 CO -0.04 0.46 -0.06 0.22 -0.34 0.00 0.00 178.44 178.68 1w9a h TYR 107 N 0.12 -0.12 -0.87 1.25 5.03 -0.82 -1.37 116.97 120.18 1w9a h TYR 107 Ca 0.06 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.44 1w9a h TYR 107 Cb 0.28 0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.61 1w9a h TYR 107 CO 0.01 -0.12 0.55 0.00 -1.32 0.00 0.00 178.16 177.29 1w9a h ARG 108 N 0.03 1.01 -0.90 1.82 3.08 -1.07 0.29 114.38 118.65 1w9a h ARG 108 Ca 0.16 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1w9a h ARG 108 Cb 0.24 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1w9a h ARG 108 CO -0.32 0.67 0.49 -0.91 -1.07 0.00 0.00 179.97 178.84 1w9a h ASN 109 N 1.04 1.12 0.04 7.04 -0.26 -0.54 -2.14 115.58 121.89 1w9a h ASN 109 Ca 0.36 -0.10 -0.15 0.00 -0.56 0.00 0.00 56.30 55.86 1w9a h ASN 109 Cb 0.08 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1w9a h ASN 109 CO -0.14 0.89 -0.75 0.40 -1.06 0.00 0.00 177.43 176.77 1w9a h ILE 110 N 1.25 1.35 0.00 2.81 2.04 -0.71 -3.43 117.51 120.82 1w9a h ILE 110 Ca 0.32 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1w9a h ILE 110 Cb 0.02 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1w9a h ILE 110 CO -0.05 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.66 1w9a n ALA 111 N -2.92 1.78 0.00 1.87 0.00 0.96 -5.11 120.51 117.09 1w9a n ALA 111 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1w9a n ALA 111 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.05 -0.91 3.69 0.00 0.00 -0.80 -4.87 105.19 102.26 1w9a n GLY 112 Ca 0.00 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 4.44 0.32 1.61 2.56 -1.26 -3.77 118.70 122.60 1w9a s GLU 113 Ca 0.00 1.47 -0.27 0.00 0.00 0.00 0.00 54.97 56.17 1w9a s GLU 113 Cb 0.00 -3.51 -0.09 0.00 2.00 0.00 0.00 34.13 32.52 1w9a s GLU 113 CO 0.00 -0.27 1.01 -1.58 -0.56 0.00 0.00 175.26 173.86 1w9a s HIS 114 N 1.74 3.61 -1.51 5.30 5.65 -1.26 -4.96 115.29 123.85 1w9a s HIS 114 Ca 0.51 1.75 0.30 0.00 0.25 0.00 0.00 55.06 57.88 1w9a s HIS 114 Cb -0.21 -3.09 1.52 0.00 -1.18 0.00 0.00 32.58 29.63 1w9a s HIS 114 CO 0.22 -0.17 2.05 -1.13 -0.65 0.00 0.00 174.74 175.06 1w9a n SER 115 N 0.74 0.06 -2.84 9.88 3.41 -1.26 -4.41 113.62 119.20 1w9a n SER 115 Ca 0.01 -0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 58.30 1w9a n SER 115 Cb 0.48 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1w9a n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1w9a s ASP 116 N -2.50 -1.38 0.45 4.04 3.68 -1.26 -5.02 116.67 114.68 1w9a s ASP 116 Ca 0.30 -1.64 0.15 0.00 2.13 0.00 0.00 52.55 53.49 1w9a s ASP 116 Cb 0.20 1.84 1.03 0.00 -1.45 0.00 0.00 42.92 44.54 1w9a s ASP 116 CO 0.45 -0.07 2.01 -0.50 0.13 0.00 0.00 175.17 177.19 1w9a h TRP 117 N 5.30 0.00 -0.59 -5.34 -0.00 -2.00 -2.23 115.95 111.10 1w9a h TRP 117 Ca 0.06 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.86 1w9a h TRP 117 Cb 1.11 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.25 1w9a h TRP 117 CO 0.11 0.16 -0.01 -0.44 -0.00 0.00 0.00 178.44 178.27 1w9a h ASP 118 N 0.00 1.00 -0.06 -3.49 3.45 -1.98 0.82 116.42 116.16 1w9a h ASP 118 Ca -0.00 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.18 1w9a h ASP 118 Cb 0.29 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1w9a h ASP 118 CO 0.02 1.06 0.04 -0.78 -1.57 0.00 0.00 179.24 178.01 1w9a h ASP 119 N 0.94 0.07 -0.37 6.45 3.58 -1.89 -2.48 116.42 122.73 1w9a h ASP 119 Ca 0.17 -0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.64 1w9a h ASP 119 Cb 0.55 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 1w9a h ASP 119 CO 0.03 0.10 -0.05 0.22 -2.88 0.00 0.00 179.24 176.66 1w9a h TYR 120 N 0.04 -0.12 -0.37 0.28 5.03 -1.06 -1.55 116.97 119.22 1w9a h TYR 120 Ca 0.02 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1w9a h TYR 120 Cb 0.05 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.39 1w9a h TYR 120 CO -0.06 -0.12 0.11 0.00 -1.32 0.00 0.00 178.16 176.77 1w9a h ARG 121 N 0.04 0.25 -0.58 1.82 3.08 -0.73 -2.41 114.38 115.85 1w9a h ARG 121 Ca 0.18 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.24 1w9a h ARG 121 Cb 0.26 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1w9a h ARG 121 CO -0.34 0.16 0.35 0.37 -1.07 0.00 0.00 179.97 179.44 1w9a h GLN 122 N 0.25 0.68 -1.83 0.04 -0.00 -1.23 -2.64 115.11 110.38 1w9a h GLN 122 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1w9a h GLN 122 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.49 1w9a h GLN 122 CO -0.19 0.45 0.00 0.00 0.00 0.00 0.00 178.83 179.09 1w9a n ALA 123 N -2.29 1.67 0.00 3.38 0.00 -0.60 -1.29 120.51 121.38 1w9a n ALA 123 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1w9a n ALA 123 Cb 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.93 0.00 0.06 0.00 0.31 -1.00 -1.46 118.33 117.17 1w9a n VAL 125 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1w9a n VAL 125 Cb 0.08 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.52 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 1.04 -0.21 2.52 2.02 -1.48 -1.67 112.91 115.13 1w9a h THR 126 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1w9a h THR 126 Cb 0.00 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1w9a h THR 126 CO 0.00 0.07 0.00 -0.67 0.37 0.00 0.00 175.52 175.29 1w9a n ASP 127 N -4.49 2.07 -3.97 4.18 2.03 -0.54 -4.94 116.55 110.90 1w9a n ASP 127 Ca 0.02 -1.78 -0.28 0.00 0.52 0.00 0.00 54.79 53.28 1w9a n ASP 127 Cb 0.12 -0.14 -0.01 0.00 -0.72 0.00 0.00 41.12 40.38 1w9a n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1w9a n ARG 128 N 0.59 -3.83 -2.45 -0.67 1.74 -0.63 -3.94 116.66 107.47 1w9a n ARG 128 Ca 0.17 0.46 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 1w9a n ARG 128 Cb 0.39 -4.88 -0.04 0.00 -1.02 0.00 0.00 32.46 26.91 1w9a n ARG 128 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1w9a s ARG 129 N -6.56 4.61 -0.04 5.56 6.06 -1.26 -1.23 118.95 126.08 1w9a s ARG 129 Ca 0.25 1.83 0.04 0.00 -2.50 0.00 0.00 55.73 55.35 1w9a s ARG 129 Cb -0.13 -3.20 -0.03 0.00 0.06 0.00 0.00 34.95 31.66 1w9a s ARG 129 CO 0.88 0.15 -0.16 0.08 -2.50 0.00 0.00 175.30 173.74 1w9a s VAL 130 N -0.95 2.91 -0.32 7.11 1.01 0.77 -0.65 120.40 130.29 1w9a s VAL 130 Ca 0.46 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1w9a s VAL 130 Cb -0.32 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1w9a s VAL 130 CO 0.41 0.57 0.50 -0.22 0.00 0.00 0.00 175.10 176.36 1w9a s LEU 131 N -0.76 4.24 -0.27 3.92 0.20 -1.26 -1.56 118.68 123.18 1w9a s LEU 131 Ca 0.12 0.14 -0.13 0.00 0.69 0.00 0.00 54.13 54.95 1w9a s LEU 131 Cb -0.11 -2.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 1w9a s LEU 131 CO 0.01 -0.40 0.30 -0.22 -0.29 0.00 0.00 176.35 175.74 1w9a s LEU 132 N 2.34 4.04 -0.19 -0.68 0.20 0.22 -2.25 118.68 122.37 1w9a s LEU 132 Ca 0.19 0.19 -0.05 0.00 0.69 0.00 0.00 54.13 55.15 1w9a s LEU 132 Cb -0.15 -2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1w9a s LEU 132 CO 0.12 -0.12 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.17 1w9a s THR 133 N 1.85 3.99 -0.48 3.68 2.01 0.14 -1.46 115.64 125.38 1w9a s THR 133 Ca 0.12 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1w9a s THR 133 Cb -0.16 -2.80 0.13 0.00 0.01 0.00 0.00 72.50 69.68 1w9a s THR 133 CO 0.10 0.44 0.24 -0.22 -0.69 0.00 0.00 174.62 174.48 1w9a s LEU 134 N 0.86 4.73 0.22 4.42 2.96 0.14 -0.51 118.68 131.50 1w9a s LEU 134 Ca 0.01 -2.64 -0.31 0.00 -0.22 0.00 0.00 54.13 50.97 1w9a s LEU 134 Cb -0.14 -1.70 -0.11 0.00 0.50 0.00 0.00 46.19 44.74 1w9a s LEU 134 CO 0.02 -0.34 1.56 -2.84 -1.32 0.00 0.00 176.35 173.44 1w9a s PRO 135 N 0.24 4.20 -0.20 0.98 0.02 -1.26 -1.55 135.00 137.42 1w9a s PRO 135 Ca 0.14 2.42 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 1w9a s PRO 135 Cb -0.23 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1w9a s PRO 135 CO -0.03 -0.59 0.98 0.42 -0.33 0.00 0.00 177.00 177.46 1w9a s ILE 136 N 0.65 4.74 -0.19 2.83 1.01 -0.40 -4.20 121.20 125.64 1w9a s ILE 136 Ca 0.67 1.93 0.14 0.00 0.00 0.00 0.00 60.65 63.40 1w9a s ILE 136 Cb -0.45 -4.27 -0.22 0.00 0.01 0.00 0.00 42.46 37.53 1w9a s ILE 136 CO 0.37 -0.11 0.02 -1.54 0.00 0.00 0.00 174.94 173.69 1w9a n SER 137 N 5.89 0.63 -3.77 3.58 3.41 0.51 -4.99 113.62 118.88 1w9a n SER 137 Ca 0.10 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 1w9a n SER 137 Cb 0.47 0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 65.08 1w9a n SER 137 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1w9a s HIS 138 N -2.46 -0.27 -0.05 7.33 3.76 -1.02 -5.02 115.29 117.56 1w9a s HIS 138 Ca -0.13 0.63 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 1w9a s HIS 138 Cb 0.06 0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.86 1w9a s HIS 138 CO 0.74 -0.22 -0.10 0.08 -0.85 0.00 0.00 174.74 174.38 1w9a s VAL 139 N -0.26 0.97 0.28 -0.90 1.01 -1.26 -0.83 120.40 119.41 1w9a s VAL 139 Ca -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1w9a s VAL 139 Cb -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1w9a s VAL 139 CO 0.01 0.31 0.27 -0.72 0.00 0.00 0.00 175.10 174.97 1w9a s TYR 140 N 0.56 1.37 -4.97 5.22 -0.85 -0.37 -4.82 117.35 113.50 1w9a s TYR 140 Ca -0.11 -1.46 0.00 0.00 -0.52 0.00 0.00 57.07 54.98 1w9a s TYR 140 Cb -0.14 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.68 1w9a s TYR 140 CO 0.02 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 1w9a n GLY 141 N -0.48 0.73 2.84 5.49 0.00 -1.26 0.11 105.19 112.63 1w9a n GLY 141 Ca 0.04 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1w9a n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w9a s LEU 142 N 0.00 2.64 0.37 0.99 2.96 0.03 -4.99 118.68 120.68 1w9a s LEU 142 Ca 0.00 -1.50 -0.26 0.00 -0.22 0.00 0.00 54.13 52.15 1w9a s LEU 142 Cb 0.00 -1.05 -0.09 0.00 0.50 0.00 0.00 46.19 45.55 1w9a s LEU 142 CO 0.00 -0.35 1.10 -2.16 -1.32 0.00 0.00 176.35 173.62 1w9a s PRO 143 N 1.46 4.25 0.59 0.98 0.04 -1.26 -1.51 135.00 139.54 1w9a s PRO 143 Ca 0.04 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1w9a s PRO 143 Cb -0.18 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1w9a s PRO 143 CO -0.15 -0.11 1.09 -1.25 0.04 0.00 0.00 177.00 176.62 1w9a s PRO 144 N -2.17 3.22 0.00 0.56 0.04 -1.26 -4.93 135.00 130.46 1w9a s PRO 144 Ca 0.54 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1w9a s PRO 144 Cb -0.27 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1w9a s PRO 144 CO 0.34 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1w9a n GLY 145 N -0.44 -0.39 0.00 0.56 0.00 -1.26 -5.05 105.19 98.61 1w9a n GLY 145 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1w9a n GLY 145 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36