#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3daq s HIS 3 N 0.00 2.24 0.23 -1.42 0.09 -1.26 -4.91 115.29 110.26 3daq s HIS 3 Ca 0.00 1.47 -0.06 0.00 -0.00 0.00 0.00 55.06 56.47 3daq s HIS 3 Cb 0.00 -3.64 0.35 0.00 -0.00 0.00 0.00 32.58 29.28 3daq s HIS 3 CO 0.00 -2.66 1.78 -0.07 -0.00 0.00 0.00 174.74 173.79 3daq h LEU 4 N 0.89 0.50 -7.56 0.89 3.38 -2.00 -3.45 115.31 107.96 3daq h LEU 4 Ca -0.51 0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.62 3daq h LEU 4 Cb 1.31 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 3daq h LEU 4 CO 0.55 0.28 0.36 0.72 0.09 0.00 0.00 178.44 180.44 3daq s PHE 5 N -6.05 -0.25 0.07 1.13 -0.12 -1.26 -4.71 117.98 106.79 3daq s PHE 5 Ca -0.13 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.74 3daq s PHE 5 Cb 0.18 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 43.18 3daq s PHE 5 CO 0.77 -0.92 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.68 3daq s GLU 6 N -3.54 0.78 1.27 1.99 2.02 -1.26 -4.91 118.70 115.05 3daq s GLU 6 Ca 0.09 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3daq s GLU 6 Cb -0.03 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.48 3daq s GLU 6 CO -0.00 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.84 3daq n GLY 7 N 1.25 0.73 3.48 -1.39 0.00 0.05 -4.85 105.19 104.46 3daq n GLY 7 Ca -0.21 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3daq n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3daq s VAL 8 N 0.00 5.05 0.19 1.61 1.01 -1.26 -1.28 120.40 125.71 3daq s VAL 8 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 3daq s VAL 8 Cb 0.00 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 3daq s VAL 8 CO 0.00 -0.48 0.57 -0.83 0.00 0.00 0.00 175.10 174.36 3daq s GLY 9 N 1.92 2.41 -0.20 4.51 0.00 0.17 -0.57 107.32 115.54 3daq s GLY 9 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 3daq s GLY 9 CO 0.14 0.09 0.07 0.14 0.00 0.00 0.00 173.10 173.54 3daq s VAL 10 N -1.61 4.67 -1.06 1.40 1.01 -0.36 -0.55 120.40 123.89 3daq s VAL 10 Ca 0.42 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 3daq s VAL 10 Cb -0.14 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.18 3daq s VAL 10 CO 0.20 0.42 1.46 0.00 0.00 0.00 0.00 175.10 177.18 3daq s ALA 11 N 0.76 2.94 0.15 5.51 0.00 -0.12 -0.68 121.76 130.32 3daq s ALA 11 Ca 0.04 -2.47 -0.31 0.00 0.00 0.00 0.00 51.96 49.21 3daq s ALA 11 Cb -0.13 -4.48 -0.09 0.00 0.00 0.00 0.00 23.12 18.41 3daq s ALA 11 CO 0.02 -3.46 1.50 -1.17 0.00 0.00 0.00 175.76 172.65 3daq s LEU 12 N 4.46 4.37 0.80 0.00 2.96 -0.59 -4.68 118.68 125.99 3daq s LEU 12 Ca 0.46 2.52 -0.11 0.00 -0.22 0.00 0.00 54.13 56.77 3daq s LEU 12 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 3daq s LEU 12 CO -0.06 -0.76 1.09 0.42 -1.32 0.00 0.00 176.35 175.72 3daq s THR 13 N 1.07 3.17 -0.24 3.68 -4.23 -1.26 -3.04 115.64 114.78 3daq s THR 13 Ca 0.68 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 61.51 3daq s THR 13 Cb -0.41 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 3daq s THR 13 CO 0.31 -0.50 0.03 -0.89 -0.54 0.00 0.00 174.62 173.03 3daq s THR 14 N -3.07 3.88 -0.08 3.99 2.01 -1.26 -4.86 115.64 116.24 3daq s THR 14 Ca 0.61 -0.39 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 3daq s THR 14 Cb -0.15 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 3daq s THR 14 CO 0.55 0.33 0.86 -2.16 -0.69 0.00 0.00 174.62 173.51 3daq s PRO 15 N 1.54 4.43 -0.05 4.92 0.04 -1.26 -5.02 135.00 139.59 3daq s PRO 15 Ca 0.06 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.26 3daq s PRO 15 Cb -0.15 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 3daq s PRO 15 CO 0.01 -0.12 -0.13 -0.06 0.04 0.00 0.00 177.00 176.73 3daq s PHE 16 N 1.39 2.74 -0.10 0.56 0.08 -1.26 -1.01 117.98 120.38 3daq s PHE 16 Ca 0.43 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.34 3daq s PHE 16 Cb -0.18 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 3daq s PHE 16 CO 0.19 0.21 -0.05 0.99 -0.10 0.00 0.00 175.22 176.46 3daq s THR 17 N -0.74 0.84 -1.43 0.64 2.01 -0.17 -0.96 115.64 115.84 3daq s THR 17 Ca 0.11 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 3daq s THR 17 Cb -0.11 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.53 3daq s THR 17 CO 0.01 0.33 0.68 0.59 -0.69 0.00 0.00 174.62 175.54 3daq n ASN 18 N 5.00 -1.86 -2.01 3.53 3.02 -1.26 -1.72 115.26 119.96 3daq n ASN 18 Ca -0.11 -0.89 -0.21 0.00 -0.03 0.00 0.00 54.58 53.35 3daq n ASN 18 Cb 0.50 -3.57 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 3daq n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3daq n ASN 19 N -2.95 -5.63 -4.19 6.41 4.05 -1.26 -4.97 115.26 106.72 3daq n ASN 19 Ca -0.19 0.24 -0.27 0.00 0.45 0.00 0.00 54.58 54.81 3daq n ASN 19 Cb 0.63 -4.82 -0.16 0.00 1.23 0.00 0.00 39.78 36.66 3daq n ASN 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3daq s LYS 20 N -4.41 1.77 0.13 1.20 2.20 -0.70 -5.09 119.74 114.85 3daq s LYS 20 Ca 0.00 -0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 3daq s LYS 20 Cb 0.00 -1.63 -0.10 0.00 -1.51 0.00 0.00 37.83 34.58 3daq s LYS 20 CO 0.00 0.37 1.76 0.08 -0.36 0.00 0.00 175.35 177.20 3daq s VAL 21 N -0.29 2.52 -0.60 4.02 1.01 -1.26 -1.00 120.40 124.79 3daq s VAL 21 Ca 0.03 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 3daq s VAL 21 Cb -0.09 -3.09 0.12 0.00 0.00 0.00 0.00 36.38 33.31 3daq s VAL 21 CO 0.01 0.00 0.66 0.21 0.00 0.00 0.00 175.10 175.98 3daq s ASN 22 N 2.24 6.24 0.35 3.32 3.84 -0.18 -4.87 114.94 125.88 3daq s ASN 22 Ca 0.78 -1.65 0.08 0.00 0.21 0.00 0.00 52.86 52.28 3daq s ASN 22 Cb -0.46 -2.27 0.64 0.00 -0.55 0.00 0.00 41.25 38.62 3daq s ASN 22 CO 0.34 -1.00 1.83 -0.07 -2.79 0.00 0.00 177.10 175.41 3daq h LEU 23 N 9.51 0.24 -0.38 3.21 3.38 -1.91 -0.34 115.31 129.02 3daq h LEU 23 Ca -0.26 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3daq h LEU 23 Cb 1.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3daq h LEU 23 CO 1.06 0.49 0.13 -0.33 0.09 0.00 0.00 178.44 179.88 3daq h GLU 24 N 0.22 0.58 -0.38 1.13 3.07 -1.99 -0.49 114.58 116.73 3daq h GLU 24 Ca 0.04 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 3daq h GLU 24 Cb 0.55 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3daq h GLU 24 CO 0.04 0.59 -0.20 0.00 -1.40 0.00 0.00 179.01 178.03 3daq h ALA 25 N 0.97 0.93 -0.26 3.43 0.00 -1.85 -0.98 119.26 121.50 3daq h ALA 25 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3daq h ALA 25 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3daq h ALA 25 CO -0.01 0.61 0.17 1.25 0.00 0.00 0.00 179.25 181.28 3daq h LEU 26 N 0.65 0.31 -0.43 0.00 5.85 -0.81 0.13 115.31 121.01 3daq h LEU 26 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3daq h LEU 26 Cb 0.69 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3daq h LEU 26 CO 0.05 0.24 0.07 0.11 -0.34 0.00 0.00 178.44 178.56 3daq h LYS 27 N 0.35 0.71 -0.89 1.25 1.57 -0.94 -0.80 116.57 117.82 3daq h LYS 27 Ca 0.10 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3daq h LYS 27 Cb -0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3daq h LYS 27 CO -0.02 0.75 0.47 0.00 -0.57 0.00 0.00 179.45 180.08 3daq h ALA 28 N 0.94 1.14 -0.17 3.86 0.00 -0.96 0.33 119.26 124.39 3daq h ALA 28 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3daq h ALA 28 Cb 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3daq h ALA 28 CO 0.01 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.21 3daq h HIS 29 N 1.25 0.30 -0.66 0.00 -0.00 -0.43 -1.08 115.15 114.52 3daq h HIS 29 Ca 0.31 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.65 3daq h HIS 29 Cb 0.05 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 3daq h HIS 29 CO 0.01 0.43 0.44 0.28 -0.00 0.00 0.00 177.93 179.08 3daq h VAL 30 N 0.09 1.16 -0.95 5.26 2.07 -0.91 -0.79 116.25 122.17 3daq h VAL 30 Ca 0.05 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3daq h VAL 30 Cb 0.28 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3daq h VAL 30 CO 0.00 0.16 0.62 0.78 0.02 0.00 0.00 177.57 179.15 3daq h ASN 31 N 0.89 1.02 -0.70 0.57 2.35 -0.75 -0.18 115.58 118.78 3daq h ASN 31 Ca 0.25 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 3daq h ASN 31 Cb -0.09 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 3daq h ASN 31 CO -0.06 0.69 0.19 0.15 -1.65 0.00 0.00 177.43 176.75 3daq h PHE 32 N 1.18 1.16 -0.40 1.19 3.57 -0.47 -0.51 116.94 122.66 3daq h PHE 32 Ca 0.38 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 3daq h PHE 32 Cb 0.03 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3daq h PHE 32 CO -0.00 0.94 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.81 3daq h LEU 33 N 1.05 0.82 -0.49 0.59 3.38 -0.47 -2.18 115.31 118.01 3daq h LEU 33 Ca 0.22 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3daq h LEU 33 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3daq h LEU 33 CO -0.00 1.02 0.15 -0.07 0.09 0.00 0.00 178.44 179.62 3daq h LEU 34 N 0.62 0.71 -2.02 1.67 3.38 -0.88 -1.60 115.31 117.19 3daq h LEU 34 Ca 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3daq h LEU 34 Cb 0.68 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3daq h LEU 34 CO 0.05 0.73 -0.08 -0.08 0.09 0.00 0.00 178.44 179.15 3daq h GLU 35 N 0.65 0.00 -0.45 1.13 4.57 -0.97 -2.95 114.58 116.55 3daq h GLU 35 Ca 0.16 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.11 3daq h GLU 35 Cb 0.27 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.73 3daq h GLU 35 CO -0.00 0.08 0.03 0.09 -1.18 0.00 0.00 179.01 178.02 3daq n ASN 36 N -4.09 2.69 -0.44 1.04 3.02 -0.83 -4.96 115.26 111.69 3daq n ASN 36 Ca -0.03 -3.75 -0.05 0.00 -0.03 0.00 0.00 54.58 50.73 3daq n ASN 36 Cb 0.16 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 3daq n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3daq n ASN 37 N -1.11 -2.95 -4.68 6.41 3.02 -1.05 -2.56 115.26 112.34 3daq n ASN 37 Ca 0.37 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.57 3daq n ASN 37 Cb 1.14 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3daq n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3daq n ALA 38 N 0.09 1.09 0.84 5.41 0.00 -0.64 -4.86 120.51 122.43 3daq n ALA 38 Ca -0.05 0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.79 3daq n ALA 38 Cb 0.32 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 3daq n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3daq n GLN 39 N 0.29 0.62 -3.55 0.00 1.13 0.26 -4.85 117.38 111.28 3daq n GLN 39 Ca 0.06 -0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 3daq n GLN 39 Cb 0.38 -1.42 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 3daq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3daq s ALA 40 N -2.87 -1.91 -0.15 -1.58 0.00 -1.24 -4.22 121.76 109.79 3daq s ALA 40 Ca 0.06 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.42 3daq s ALA 40 Cb 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.04 3daq s ALA 40 CO 0.80 -0.48 -0.16 0.42 0.00 0.00 0.00 175.76 176.34 3daq s ILE 41 N -1.98 1.72 -0.32 0.00 -1.09 -0.59 -1.23 121.20 117.72 3daq s ILE 41 Ca 0.02 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 57.59 3daq s ILE 41 Cb -0.01 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 3daq s ILE 41 CO -0.03 0.48 0.22 -0.63 -1.23 0.00 0.00 174.94 173.75 3daq s ILE 42 N 1.37 5.25 -0.04 2.92 1.09 0.15 -0.82 121.20 131.11 3daq s ILE 42 Ca 0.04 -0.08 0.01 0.00 -1.10 0.00 0.00 60.65 59.51 3daq s ILE 42 Cb -0.13 -3.62 -0.03 0.00 -1.06 0.00 0.00 42.46 37.62 3daq s ILE 42 CO -0.10 0.09 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.09 3daq s VAL 43 N 1.73 3.84 -1.29 2.92 1.01 0.41 -1.55 120.40 127.47 3daq s VAL 43 Ca 0.06 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3daq s VAL 43 Cb -0.17 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3daq s VAL 43 CO 0.10 0.52 0.72 0.59 0.00 0.00 0.00 175.10 177.03 3daq n ASN 44 N 1.93 -5.66 -1.10 3.32 5.03 -1.26 -0.21 115.26 117.31 3daq n ASN 44 Ca -0.17 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 54.95 3daq n ASN 44 Cb 0.53 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.88 3daq n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3daq n GLY 45 N -1.57 1.18 0.32 7.41 0.00 -1.26 -4.31 105.19 106.94 3daq n GLY 45 Ca -0.06 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 3daq n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3daq h THR 46 N -0.07 1.08 0.00 2.61 2.02 -1.95 -2.00 112.91 114.61 3daq h THR 46 Ca 0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3daq h THR 46 Cb 0.00 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3daq h THR 46 CO 0.00 0.18 -0.07 0.74 0.37 0.00 0.00 175.52 176.74 3daq h THR 47 N 0.99 0.16 -0.00 3.16 2.02 -1.84 -2.13 112.91 115.26 3daq h THR 47 Ca 0.35 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3daq h THR 47 Cb 0.09 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3daq h THR 47 CO -0.14 0.07 -0.01 0.00 0.37 0.00 0.00 175.52 175.81 3daq n ALA 48 N -2.13 2.65 -3.14 6.16 0.00 -0.78 -4.33 120.51 118.95 3daq n ALA 48 Ca 0.02 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 3daq n ALA 48 Cb 0.42 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.44 3daq n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3daq n GLU 49 N -0.98 -5.22 -0.30 0.00 1.02 -0.80 -4.30 120.64 110.06 3daq n GLU 49 Ca 0.21 0.69 0.16 0.00 -0.02 0.00 0.00 57.16 58.20 3daq n GLU 49 Cb 0.16 -5.19 0.42 0.00 -0.02 0.00 0.00 31.44 26.81 3daq n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3daq h SER 50 N -1.67 0.60 0.04 1.62 4.64 -1.69 -1.09 113.55 116.00 3daq h SER 50 Ca -0.44 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3daq h SER 50 Cb 1.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3daq h SER 50 CO 0.45 0.22 0.00 -0.65 -0.87 0.00 0.00 176.83 175.98 3daq h PRO 51 N 0.59 0.00 -0.01 4.77 0.11 -1.91 -2.71 132.00 132.84 3daq h PRO 51 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3daq h PRO 51 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3daq h PRO 51 CO -0.28 0.00 -0.03 0.25 -0.21 0.00 0.00 178.00 177.73 3daq n THR 52 N -2.96 0.00 -2.91 -1.15 -2.24 -0.42 -4.99 114.28 99.60 3daq n THR 52 Ca -0.03 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 3daq n THR 52 Cb 0.07 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3daq n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3daq s LEU 53 N -0.98 4.24 0.71 3.22 1.43 -1.02 -5.07 118.68 121.21 3daq s LEU 53 Ca 0.12 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 3daq s LEU 53 Cb 0.09 -4.00 0.02 0.00 0.03 0.00 0.00 46.19 42.32 3daq s LEU 53 CO 0.15 -0.11 1.07 0.42 0.23 0.00 0.00 176.35 178.11 3daq s THR 54 N -1.74 3.80 0.23 5.49 -4.23 -1.26 -4.88 115.64 113.05 3daq s THR 54 Ca 0.51 0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 61.52 3daq s THR 54 Cb -0.15 -3.39 0.20 0.00 1.34 0.00 0.00 72.50 70.49 3daq s THR 54 CO 0.20 -0.76 1.90 0.74 -0.54 0.00 0.00 174.62 176.16 3daq h THR 55 N -0.76 1.22 -0.88 3.99 2.02 -1.97 -1.10 112.91 115.44 3daq h THR 55 Ca -0.45 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3daq h THR 55 Cb 1.23 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3daq h THR 55 CO 0.59 0.22 0.46 0.44 0.37 0.00 0.00 175.52 177.60 3daq h ASP 56 N 1.17 1.12 -0.19 4.18 3.32 -1.99 -1.08 116.42 122.95 3daq h ASP 56 Ca 0.32 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3daq h ASP 56 Cb -0.13 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 3daq h ASP 56 CO -0.07 0.91 0.09 -0.33 -1.72 0.00 0.00 179.24 178.12 3daq h GLU 57 N 1.24 0.28 -0.49 3.56 5.08 -1.81 -1.12 114.58 121.32 3daq h GLU 57 Ca 0.31 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3daq h GLU 57 Cb 0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3daq h GLU 57 CO -0.05 0.32 0.23 0.87 -1.00 0.00 0.00 179.01 179.39 3daq h LYS 58 N 0.17 0.45 -0.54 2.33 1.57 -0.83 0.22 116.57 119.94 3daq h LYS 58 Ca 0.07 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3daq h LYS 58 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3daq h LYS 58 CO -0.01 0.30 -0.03 0.93 -0.57 0.00 0.00 179.45 180.07 3daq h GLU 59 N 0.46 0.95 -0.24 3.15 5.08 -1.12 -0.73 114.58 122.13 3daq h GLU 59 Ca 0.22 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3daq h GLU 59 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3daq h GLU 59 CO -0.17 0.95 0.02 1.25 -1.00 0.00 0.00 179.01 180.06 3daq h LEU 60 N 0.86 0.40 -0.16 1.33 5.85 -0.83 -1.07 115.31 121.69 3daq h LEU 60 Ca 0.15 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3daq h LEU 60 Cb 0.55 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3daq h LEU 60 CO 0.03 0.58 0.10 0.40 -0.34 0.00 0.00 178.44 179.21 3daq h ILE 61 N 0.20 1.06 -0.24 4.05 2.04 -0.87 -0.83 117.51 122.91 3daq h ILE 61 Ca 0.07 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3daq h ILE 61 Cb 0.37 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3daq h ILE 61 CO 0.01 0.05 0.14 0.25 0.00 0.00 0.00 178.15 178.60 3daq h LEU 62 N 0.19 0.30 -0.65 1.44 5.85 -1.06 -0.57 115.31 120.82 3daq h LEU 62 Ca 0.06 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3daq h LEU 62 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3daq h LEU 62 CO -0.01 0.30 0.43 0.50 -0.34 0.00 0.00 178.44 179.31 3daq h LYS 63 N 0.29 0.84 -0.59 1.25 3.64 -1.12 0.03 116.57 120.90 3daq h LYS 63 Ca 0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3daq h LYS 63 Cb 0.06 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3daq h LYS 63 CO -0.01 0.55 0.32 1.15 -2.27 0.00 0.00 179.45 179.19 3daq h THR 64 N 0.86 1.19 -0.23 1.00 2.02 -0.74 -0.59 112.91 116.42 3daq h THR 64 Ca 0.25 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3daq h THR 64 Cb -0.07 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3daq h THR 64 CO -0.07 0.21 -0.09 0.58 0.37 0.00 0.00 175.52 176.52 3daq h VAL 65 N 0.80 1.30 -0.36 3.16 2.07 -0.83 -2.03 116.25 120.36 3daq h VAL 65 Ca 0.21 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.64 3daq h VAL 65 Cb 0.05 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3daq h VAL 65 CO -0.03 0.35 0.10 0.40 0.02 0.00 0.00 177.57 178.41 3daq h ILE 66 N 0.20 0.86 -0.33 4.57 2.04 -0.79 -0.37 117.51 123.69 3daq h ILE 66 Ca 0.05 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 3daq h ILE 66 Cb 0.58 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3daq h ILE 66 CO 0.03 0.04 -0.27 0.44 0.00 0.00 0.00 178.15 178.39 3daq h ASP 67 N 0.23 0.68 -0.06 1.72 3.32 -1.06 -0.81 116.42 120.44 3daq h ASP 67 Ca 0.17 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3daq h ASP 67 Cb 0.17 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3daq h ASP 67 CO -0.19 0.92 -0.11 0.25 -1.72 0.00 0.00 179.24 178.38 3daq h LEU 68 N 0.57 0.21 -0.82 1.55 5.85 -1.08 -3.25 115.31 118.35 3daq h LEU 68 Ca 0.07 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 3daq h LEU 68 Cb 0.76 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3daq h LEU 68 CO 0.06 0.72 -0.04 0.58 -0.34 0.00 0.00 178.44 179.42 3daq h VAL 69 N -0.29 1.25 -6.31 1.05 2.07 -1.03 -3.48 116.25 109.52 3daq h VAL 69 Ca 0.00 -1.10 -0.26 0.00 0.82 0.00 0.00 66.70 66.17 3daq h VAL 69 Cb 0.68 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3daq h VAL 69 CO 0.03 0.38 -0.52 -0.67 0.02 0.00 0.00 177.57 176.81 3daq n ASP 70 N -4.19 -2.19 0.00 0.57 2.03 -0.32 -1.53 116.55 110.92 3daq n ASP 70 Ca 0.02 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.80 3daq n ASP 70 Cb 0.33 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 3daq n ASP 70 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3daq n LYS 71 N -2.00 -0.15 -0.09 -0.67 4.76 -1.26 -4.90 118.16 113.84 3daq n LYS 71 Ca -0.12 0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.27 3daq n LYS 71 Cb 0.31 -3.06 0.07 0.00 -1.84 0.00 0.00 35.03 30.52 3daq n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3daq h ARG 72 N 1.63 0.80 -4.08 1.97 3.08 -1.66 -3.45 114.38 112.66 3daq h ARG 72 Ca 0.00 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.60 3daq h ARG 72 Cb 0.08 -0.03 -0.15 0.00 0.08 0.00 0.00 29.97 29.96 3daq h ARG 72 CO 0.00 0.97 -0.57 0.14 -1.07 0.00 0.00 179.97 179.44 3daq s VAL 73 N -4.55 0.19 0.31 2.04 -7.23 -1.26 -5.05 120.40 104.85 3daq s VAL 73 Ca -0.09 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 3daq s VAL 73 Cb 0.13 -1.45 -0.11 0.00 0.56 0.00 0.00 36.38 35.51 3daq s VAL 73 CO 0.84 -0.87 1.44 -2.84 -0.31 0.00 0.00 175.10 173.36 3daq s PRO 74 N -3.89 4.23 -0.28 4.82 0.02 -1.26 -4.85 135.00 133.78 3daq s PRO 74 Ca 0.06 2.39 -0.08 0.00 0.02 0.00 0.00 61.00 63.40 3daq s PRO 74 Cb 0.07 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.53 3daq s PRO 74 CO -0.10 -0.42 0.10 0.08 -0.33 0.00 0.00 177.00 176.33 3daq s VAL 75 N -0.63 4.24 -0.26 3.83 1.01 -1.26 -1.54 120.40 125.79 3daq s VAL 75 Ca 0.55 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3daq s VAL 75 Cb -0.43 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3daq s VAL 75 CO 0.52 0.16 0.01 -0.63 0.00 0.00 0.00 175.10 175.16 3daq s ILE 76 N 1.57 3.56 -0.24 2.22 1.01 0.00 -1.02 121.20 128.31 3daq s ILE 76 Ca 0.04 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 3daq s ILE 76 Cb -0.16 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3daq s ILE 76 CO 0.04 0.20 0.56 0.00 0.00 0.00 0.00 174.94 175.75 3daq s ALA 77 N 1.46 3.58 -0.27 9.38 0.00 -0.05 -0.45 121.76 135.41 3daq s ALA 77 Ca 0.03 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 3daq s ALA 77 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3daq s ALA 77 CO -0.01 -0.67 1.52 0.20 0.00 0.00 0.00 175.76 176.80 3daq s GLY 78 N 1.39 1.22 0.00 0.00 0.00 0.70 -0.59 107.32 110.04 3daq s GLY 78 Ca 0.24 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.24 3daq s GLY 78 CO 0.09 2.88 0.00 -1.30 0.00 0.00 0.00 173.10 174.77 3daq n THR 79 N 6.50 0.00 -2.78 0.90 -2.24 -0.93 -4.75 114.28 110.99 3daq n THR 79 Ca 0.18 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 3daq n THR 79 Cb 0.46 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 3daq n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3daq s GLY 80 N -0.91 3.02 0.00 3.38 0.00 -1.12 -4.56 107.32 107.14 3daq s GLY 80 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3daq s GLY 80 CO 0.00 1.28 0.00 -1.30 0.00 0.00 0.00 173.10 173.08 3daq n THR 81 N 2.20 0.00 0.41 0.90 -2.24 -1.26 -4.48 114.28 109.81 3daq n THR 81 Ca -0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3daq n THR 81 Cb 0.48 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.90 3daq n THR 81 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3daq n ASN 82 N -1.20 2.73 -3.94 3.42 6.94 -1.26 -4.56 115.26 117.38 3daq n ASN 82 Ca 0.00 -2.24 -0.30 0.00 -0.02 0.00 0.00 54.58 52.02 3daq n ASN 82 Cb 0.00 -0.43 -0.16 0.00 -2.36 0.00 0.00 39.78 36.84 3daq n ASN 82 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3daq s ASP 83 N -0.70 3.60 0.12 0.53 -1.08 -1.26 -4.88 116.67 113.01 3daq s ASP 83 Ca 0.27 -1.04 -0.18 0.00 -0.52 0.00 0.00 52.55 51.07 3daq s ASP 83 Cb 0.17 -1.15 -0.04 0.00 -1.46 0.00 0.00 42.92 40.45 3daq s ASP 83 CO 0.13 -0.21 1.72 0.74 0.52 0.00 0.00 175.17 178.07 3daq h THR 84 N 6.57 1.13 -0.40 1.71 2.02 -1.96 -0.42 112.91 121.55 3daq h THR 84 Ca -0.21 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3daq h THR 84 Cb 1.08 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3daq h THR 84 CO 0.42 0.13 0.26 -0.08 0.37 0.00 0.00 175.52 176.62 3daq h GLU 85 N 0.35 0.53 -0.28 6.66 4.57 -1.98 -0.28 114.58 124.16 3daq h GLU 85 Ca 0.10 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 3daq h GLU 85 Cb 0.07 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3daq h GLU 85 CO -0.02 0.36 -0.15 0.87 -1.18 0.00 0.00 179.01 178.90 3daq h LYS 86 N 0.54 0.48 -0.78 1.92 1.57 -1.95 -2.05 116.57 116.30 3daq h LYS 86 Ca 0.15 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3daq h LYS 86 Cb -0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3daq h LYS 86 CO -0.03 0.62 0.31 0.77 -0.57 0.00 0.00 179.45 180.55 3daq h SER 87 N 0.44 1.08 -0.07 0.86 0.02 -0.45 -1.35 113.55 114.08 3daq h SER 87 Ca 0.08 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3daq h SER 87 Cb 0.52 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3daq h SER 87 CO 0.03 0.96 -0.04 0.40 -1.14 0.00 0.00 176.83 177.05 3daq h ILE 88 N 1.14 0.87 -0.40 3.27 2.04 -0.61 -0.80 117.51 123.01 3daq h ILE 88 Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 3daq h ILE 88 Cb 0.22 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3daq h ILE 88 CO -0.02 0.00 0.24 1.56 0.00 0.00 0.00 178.15 179.93 3daq h GLN 89 N -0.04 0.48 -0.38 2.37 1.08 -1.11 -0.84 115.11 116.68 3daq h GLN 89 Ca 0.04 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 3daq h GLN 89 Cb 0.10 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3daq h GLN 89 CO -0.10 0.32 -0.13 0.00 -0.95 0.00 0.00 178.83 177.97 3daq h ALA 90 N 1.17 1.07 -0.21 3.87 0.00 -1.12 -2.09 119.26 121.94 3daq h ALA 90 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3daq h ALA 90 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3daq h ALA 90 CO -0.07 0.57 -0.09 0.77 0.00 0.00 0.00 179.25 180.44 3daq h SER 91 N 0.61 0.45 -0.78 0.00 0.02 -0.68 -0.75 113.55 112.42 3daq h SER 91 Ca 0.10 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3daq h SER 91 Cb 0.58 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3daq h SER 91 CO 0.04 0.75 0.51 0.40 -1.14 0.00 0.00 176.83 177.39 3daq h ILE 92 N 0.15 1.17 -0.47 3.27 2.04 -1.09 -1.63 117.51 120.95 3daq h ILE 92 Ca 0.05 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 3daq h ILE 92 Cb 0.57 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3daq h ILE 92 CO 0.03 0.19 -0.12 -0.61 0.00 0.00 0.00 178.15 177.63 3daq h GLN 93 N 1.03 0.88 -0.87 2.37 5.75 -1.27 -1.61 115.11 121.39 3daq h GLN 93 Ca 0.30 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3daq h GLN 93 Cb -0.07 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 3daq h GLN 93 CO -0.08 0.95 0.49 0.00 -2.65 0.00 0.00 178.83 177.54 3daq h ALA 94 N 1.07 1.12 -0.44 3.38 0.00 -0.70 -0.99 119.26 122.70 3daq h ALA 94 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3daq h ALA 94 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3daq h ALA 94 CO 0.04 0.62 0.24 -0.22 0.00 0.00 0.00 179.25 179.93 3daq h LYS 95 N 1.22 0.62 -0.49 0.00 3.64 -1.09 -1.65 116.57 118.82 3daq h LYS 95 Ca 0.31 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3daq h LYS 95 Cb 0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3daq h LYS 95 CO -0.05 0.50 0.25 0.00 -2.27 0.00 0.00 179.45 177.88 3daq h ALA 96 N 1.09 1.53 0.00 5.00 0.00 -0.70 -1.11 119.26 125.06 3daq h ALA 96 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3daq h ALA 96 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3daq h ALA 96 CO -0.02 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.54 3daq h LEU 97 N 0.68 0.00 0.00 0.00 3.38 -0.85 -3.47 115.31 115.06 3daq h LEU 97 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3daq h LEU 97 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3daq h LEU 97 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 3daq n GLY 98 N 0.50 1.41 3.76 0.83 0.00 -0.42 -4.89 105.19 106.38 3daq n GLY 98 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3daq n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daq s ALA 99 N -2.00 3.00 -0.16 4.61 0.00 -0.66 -4.93 121.76 121.62 3daq s ALA 99 Ca 0.00 1.40 0.16 0.00 0.00 0.00 0.00 51.96 53.53 3daq s ALA 99 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.55 3daq s ALA 99 CO 0.00 -1.32 1.24 -0.44 0.00 0.00 0.00 175.76 175.25 3daq h ASP 100 N 1.82 0.00 -5.00 0.00 3.32 -1.42 -3.44 116.42 111.70 3daq h ASP 100 Ca -0.51 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.57 3daq h ASP 100 Cb 1.29 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.76 3daq h ASP 100 CO 0.59 0.47 0.22 0.00 -1.72 0.00 0.00 179.24 178.79 3daq s ALA 101 N -2.99 -1.36 0.22 3.45 0.00 -1.18 -4.24 121.76 115.67 3daq s ALA 101 Ca 0.02 0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.10 3daq s ALA 101 Cb 0.08 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 3daq s ALA 101 CO 0.76 -0.93 -0.21 0.96 0.00 0.00 0.00 175.76 176.34 3daq s ILE 102 N -3.85 2.32 -0.09 0.00 -4.36 -0.27 -0.87 121.20 114.08 3daq s ILE 102 Ca 0.07 -2.17 0.04 0.00 -0.26 0.00 0.00 60.65 58.33 3daq s ILE 102 Cb -0.04 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.50 3daq s ILE 102 CO -0.01 -0.27 -0.21 -0.32 0.24 0.00 0.00 174.94 174.37 3daq s MET 103 N -3.05 2.88 -0.23 0.37 -2.45 0.24 -0.52 119.30 116.54 3daq s MET 103 Ca 0.24 -0.83 0.01 0.00 -1.25 0.00 0.00 55.69 53.86 3daq s MET 103 Cb -0.06 -2.32 0.06 0.00 1.25 0.00 0.00 34.83 33.75 3daq s MET 103 CO 0.11 0.30 -0.08 -0.51 1.05 0.00 0.00 175.02 175.89 3daq s LEU 104 N 0.05 2.78 0.66 4.11 1.43 0.13 -2.19 118.68 125.66 3daq s LEU 104 Ca -0.09 -1.18 -0.15 0.00 -1.03 0.00 0.00 54.13 51.69 3daq s LEU 104 Cb -0.15 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3daq s LEU 104 CO 0.06 -0.20 1.10 -0.51 0.23 0.00 0.00 176.35 177.03 3daq s ILE 105 N 1.30 3.32 0.88 -0.59 2.07 -1.26 -0.82 121.20 126.10 3daq s ILE 105 Ca -0.06 0.59 -0.10 0.00 -1.41 0.00 0.00 60.65 59.67 3daq s ILE 105 Cb -0.19 -3.12 0.12 0.00 0.13 0.00 0.00 42.46 39.41 3daq s ILE 105 CO -0.06 -0.40 1.12 0.42 -1.91 0.00 0.00 174.94 174.11 3daq s THR 106 N -2.42 2.47 1.02 4.00 -4.23 -0.78 -4.75 115.64 110.96 3daq s THR 106 Ca 0.66 0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 61.19 3daq s THR 106 Cb -0.20 -2.33 0.13 0.00 1.34 0.00 0.00 72.50 71.44 3daq s THR 106 CO 0.43 -0.20 0.65 -2.65 -0.54 0.00 0.00 174.62 172.30 3daq n PRO 107 N -4.03 -1.01 -3.57 3.99 -0.02 -1.26 -4.78 135.00 124.32 3daq n PRO 107 Ca 0.11 -0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.19 3daq n PRO 107 Cb 0.52 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3daq n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3daq s TYR 108 N -2.43 -0.44 0.00 6.00 1.13 -1.26 -4.56 117.35 115.79 3daq s TYR 108 Ca 0.62 0.49 0.00 0.00 -1.41 0.00 0.00 57.07 56.77 3daq s TYR 108 Cb -0.21 0.35 0.00 0.00 -1.10 0.00 0.00 41.96 41.01 3daq s TYR 108 CO 0.64 -0.65 0.00 0.98 -2.51 0.00 0.00 175.55 174.01 3daq n TYR 109 N 0.39 0.00 -0.06 -3.49 9.36 -1.26 -3.79 117.16 118.31 3daq n TYR 109 Ca -0.18 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 60.95 3daq n TYR 109 Cb 0.60 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.37 3daq n TYR 109 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 3daq h ASN 110 N 0.00 0.77 -0.84 2.98 7.08 -1.92 -3.50 115.58 120.15 3daq h ASN 110 Ca 0.00 -0.33 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 3daq h ASN 110 Cb 0.00 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.02 3daq h ASN 110 CO 0.00 1.05 0.00 0.29 -2.08 0.00 0.00 177.43 176.69 3daq n LYS 111 N -4.06 0.00 -3.58 4.14 5.02 -1.25 -5.02 118.16 113.41 3daq n LYS 111 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.24 3daq n LYS 111 Cb 0.51 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.54 3daq n LYS 111 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3daq n THR 112 N -1.68 0.00 -2.74 -0.18 5.66 -1.26 -4.79 114.28 109.29 3daq n THR 112 Ca 0.00 -0.55 -0.22 0.00 -3.05 0.00 0.00 64.05 60.23 3daq n THR 112 Cb 0.00 0.72 0.10 0.00 -1.55 0.00 0.00 70.33 69.60 3daq n THR 112 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3daq n ASN 113 N -1.25 1.56 0.07 1.09 0.23 -1.26 -4.91 115.26 110.79 3daq n ASN 113 Ca -0.03 -2.24 -0.02 0.00 -0.53 0.00 0.00 54.58 51.76 3daq n ASN 113 Cb 0.52 -0.57 0.24 0.00 -2.08 0.00 0.00 39.78 37.89 3daq n ASN 113 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3daq h GLN 114 N 0.00 0.33 -0.63 -3.83 1.08 -1.99 -1.21 115.11 108.86 3daq h GLN 114 Ca -0.31 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 56.73 3daq h GLN 114 Cb 1.21 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.59 3daq h GLN 114 CO 0.36 0.62 0.27 0.00 -0.95 0.00 0.00 178.83 179.12 3daq h ARG 115 N 0.29 0.93 -0.67 1.46 3.08 -2.00 -2.09 114.38 115.37 3daq h ARG 115 Ca 0.04 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3daq h ARG 115 Cb 0.70 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 3daq h ARG 115 CO 0.05 0.77 0.29 0.78 -1.07 0.00 0.00 179.97 180.79 3daq h GLY 116 N 0.87 1.04 0.99 0.04 0.00 -1.82 -2.00 103.07 102.18 3daq h GLY 116 Ca 0.21 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3daq h GLY 116 CO -0.02 0.50 0.29 1.41 0.00 0.00 0.00 176.54 178.71 3daq h LEU 117 N 0.96 0.57 -0.27 3.11 3.38 -0.84 0.39 115.31 122.61 3daq h LEU 117 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3daq h LEU 117 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3daq h LEU 117 CO -0.02 0.45 0.18 0.58 0.09 0.00 0.00 178.44 179.71 3daq h VAL 118 N 0.63 1.07 -0.53 1.22 2.07 -1.14 -0.60 116.25 118.97 3daq h VAL 118 Ca 0.17 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3daq h VAL 118 Cb -0.01 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3daq h VAL 118 CO -0.03 0.07 0.27 0.11 0.02 0.00 0.00 177.57 178.00 3daq h LYS 119 N 0.36 0.75 0.82 1.57 1.57 -1.07 -0.92 116.57 119.66 3daq h LYS 119 Ca 0.10 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3daq h LYS 119 Cb -0.04 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.13 3daq h LYS 119 CO -0.02 0.61 -0.41 1.25 -0.57 0.00 0.00 179.45 180.31 3daq h HIS 120 N 0.71 -1.07 -0.50 -1.35 2.76 -0.72 -0.65 115.15 114.33 3daq h HIS 120 Ca 0.18 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 3daq h HIS 120 Cb 0.09 0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 3daq h HIS 120 CO -0.01 -0.65 -0.11 0.74 -1.30 0.00 0.00 177.93 176.60 3daq h PHE 121 N -1.12 1.04 -0.40 5.26 0.04 -1.11 -2.51 116.94 118.14 3daq h PHE 121 Ca -0.11 -0.21 -0.13 0.00 2.80 0.00 0.00 57.97 60.32 3daq h PHE 121 Cb 0.87 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3daq h PHE 121 CO -0.03 0.98 -0.27 0.93 -0.60 0.00 0.00 178.31 179.32 3daq h GLU 122 N 0.84 0.84 -0.68 1.51 5.08 -1.17 -0.97 114.58 120.02 3daq h GLU 122 Ca 0.13 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3daq h GLU 122 Cb 0.64 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3daq h GLU 122 CO 0.04 1.01 0.45 0.00 -1.00 0.00 0.00 179.01 179.51 3daq h ALA 123 N 0.97 0.87 -0.14 3.43 0.00 -0.96 0.76 119.26 124.19 3daq h ALA 123 Ca 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3daq h ALA 123 Cb 0.82 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3daq h ALA 123 CO 0.07 0.28 -0.52 0.82 0.00 0.00 0.00 179.25 179.90 3daq h ILE 124 N 0.92 1.34 -0.57 0.00 2.04 -1.29 -2.26 117.51 117.69 3daq h ILE 124 Ca 0.25 -1.79 0.02 0.00 1.00 0.00 0.00 64.86 64.33 3daq h ILE 124 Cb -0.10 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3daq h ILE 124 CO -0.06 0.55 0.36 0.00 0.00 0.00 0.00 178.15 179.00 3daq h ALA 125 N 0.53 0.72 -0.77 1.87 0.00 -1.08 -1.59 119.26 118.95 3daq h ALA 125 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3daq h ALA 125 Cb 1.15 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3daq h ALA 125 CO 0.11 0.11 0.47 -0.44 0.00 0.00 0.00 179.25 179.50 3daq h ASP 126 N 0.72 0.73 -0.20 0.00 3.32 -0.77 -1.58 116.42 118.64 3daq h ASP 126 Ca 0.22 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 3daq h ASP 126 Cb -0.03 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3daq h ASP 126 CO -0.07 0.48 -0.21 0.00 -1.72 0.00 0.00 179.24 177.72 3daq h ALA 127 N 1.36 0.30 0.07 3.45 0.00 -1.02 -3.35 119.26 120.07 3daq h ALA 127 Ca 0.33 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 3daq h ALA 127 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3daq h ALA 127 CO -0.16 0.24 -1.35 -0.24 0.00 0.00 0.00 179.25 177.75 3daq h VAL 128 N 0.17 1.34 -6.23 0.00 3.04 -1.16 -3.48 116.25 109.93 3daq h VAL 128 Ca 0.03 -3.02 -0.44 0.00 -1.01 0.00 0.00 66.70 62.26 3daq h VAL 128 Cb 0.75 2.77 0.03 0.00 -2.01 0.00 0.00 31.29 32.84 3daq h VAL 128 CO 0.05 0.83 -0.88 0.29 -1.01 0.00 0.00 177.57 176.85 3daq n LYS 129 N -3.38 -3.29 -3.77 4.17 5.02 -0.61 -4.97 118.16 111.33 3daq n LYS 129 Ca -0.10 0.52 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 3daq n LYS 129 Cb 1.01 -4.71 -0.09 0.00 -0.02 0.00 0.00 35.03 31.22 3daq n LYS 129 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3daq s LEU 130 N -6.66 0.87 0.22 -0.35 2.96 -1.26 -5.11 118.68 109.34 3daq s LEU 130 Ca 0.15 0.18 -0.32 0.00 -0.22 0.00 0.00 54.13 53.92 3daq s LEU 130 Cb -0.05 1.21 -0.14 0.00 0.50 0.00 0.00 46.19 47.70 3daq s LEU 130 CO 0.85 -0.38 1.26 -2.65 -1.32 0.00 0.00 176.35 174.11 3daq n PRO 131 N 1.59 1.59 -5.11 0.98 -0.02 -1.26 -4.78 135.00 127.99 3daq n PRO 131 Ca -0.20 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 3daq n PRO 131 Cb 0.56 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 3daq n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3daq s VAL 132 N -0.23 2.33 -0.31 -1.45 1.01 0.15 -1.11 120.40 120.80 3daq s VAL 132 Ca 0.69 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 3daq s VAL 132 Cb -0.74 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3daq s VAL 132 CO 0.52 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.62 3daq s VAL 133 N 0.26 4.52 0.61 2.92 1.01 0.32 -1.17 120.40 128.88 3daq s VAL 133 Ca -0.15 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3daq s VAL 133 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3daq s VAL 133 CO 0.07 0.08 1.11 -0.76 0.00 0.00 0.00 175.10 175.60 3daq s LEU 134 N 1.60 3.52 -0.10 3.92 1.43 0.10 -0.69 118.68 128.45 3daq s LEU 134 Ca 0.04 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.14 3daq s LEU 134 Cb -0.17 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.53 3daq s LEU 134 CO 0.06 -1.43 0.04 -0.47 0.23 0.00 0.00 176.35 174.78 3daq s TYR 135 N -2.18 0.43 -0.24 0.29 5.04 -0.00 0.25 117.35 120.94 3daq s TYR 135 Ca 0.68 -0.17 -0.00 0.00 -2.44 0.00 0.00 57.07 55.14 3daq s TYR 135 Cb -0.21 -0.71 0.03 0.00 0.35 0.00 0.00 41.96 41.42 3daq s TYR 135 CO 0.36 -0.37 -0.10 1.21 -1.34 0.00 0.00 175.55 175.32 3daq s ASN 136 N 2.05 4.11 -0.41 4.32 2.47 -0.39 -1.87 114.94 125.23 3daq s ASN 136 Ca 0.03 -0.94 0.05 0.00 0.42 0.00 0.00 52.86 52.42 3daq s ASN 136 Cb -0.14 -1.60 0.18 0.00 -1.45 0.00 0.00 41.25 38.24 3daq s ASN 136 CO -0.06 -0.12 0.38 0.55 -3.72 0.00 0.00 177.10 174.13 3daq n VAL 137 N 4.61 -1.11 0.09 -5.21 3.14 -1.26 -0.92 118.33 117.68 3daq n VAL 137 Ca -0.17 -3.54 0.19 0.00 -2.96 0.00 0.00 64.34 57.86 3daq n VAL 137 Cb 0.47 -1.71 0.75 0.00 -1.06 0.00 0.00 33.84 32.28 3daq n VAL 137 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3daq h PRO 138 N 5.32 0.00 0.00 1.45 0.11 -1.81 -0.05 132.00 137.03 3daq h PRO 138 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 3daq h PRO 138 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3daq h PRO 138 CO 0.39 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 178.83 3daq h SER 139 N 0.00 0.00 0.00 -2.05 4.64 -1.89 0.84 113.55 115.09 3daq h SER 139 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3daq h SER 139 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3daq h SER 139 CO -0.00 0.01 -1.62 0.54 -0.87 0.00 0.00 176.83 174.89 3daq n ARG 140 N -3.11 0.64 -0.00 4.77 1.74 -0.10 -4.74 116.66 115.86 3daq n ARG 140 Ca -0.01 -0.10 0.04 0.00 -0.77 0.00 0.00 57.85 57.01 3daq n ARG 140 Cb 0.19 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 3daq n ARG 140 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3daq n THR 141 N -2.02 0.00 -2.92 0.55 -2.24 -0.79 -4.86 114.28 102.01 3daq n THR 141 Ca -0.05 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 3daq n THR 141 Cb 0.42 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3daq n THR 141 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3daq n ASN 142 N -1.53 -3.51 -4.10 3.42 5.15 0.27 -4.47 115.26 110.49 3daq n ASN 142 Ca -0.00 -0.07 -0.11 0.00 -0.60 0.00 0.00 54.58 53.80 3daq n ASN 142 Cb 0.19 -2.96 -0.08 0.00 -0.53 0.00 0.00 39.78 36.40 3daq n ASN 142 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3daq s MET 143 N -5.52 1.33 0.17 1.20 0.23 -1.26 -5.07 119.30 110.37 3daq s MET 143 Ca 0.20 -1.44 0.02 0.00 -1.03 0.00 0.00 55.69 53.44 3daq s MET 143 Cb -0.11 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.51 3daq s MET 143 CO 0.25 -0.49 0.00 -0.08 -2.03 0.00 0.00 175.02 172.67 3daq s THR 144 N -4.08 0.65 -0.45 3.16 -1.32 -1.26 -3.80 115.64 108.54 3daq s THR 144 Ca 0.30 -1.98 -0.15 0.00 -1.21 0.00 0.00 61.69 58.65 3daq s THR 144 Cb 0.04 -2.11 0.06 0.00 -1.51 0.00 0.00 72.50 68.97 3daq s THR 144 CO 0.10 -0.48 0.36 -0.63 -2.21 0.00 0.00 174.62 171.76 3daq s ILE 145 N -3.67 5.22 0.62 5.08 1.01 -1.26 -4.96 121.20 123.24 3daq s ILE 145 Ca 0.24 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 3daq s ILE 145 Cb 0.06 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3daq s ILE 145 CO 0.04 -0.49 1.20 -1.61 0.00 0.00 0.00 174.94 174.07 3daq s GLU 146 N 1.65 2.81 0.29 2.79 0.41 -1.26 -4.68 118.70 120.71 3daq s GLU 146 Ca 0.04 1.77 0.04 0.00 -0.41 0.00 0.00 54.97 56.41 3daq s GLU 146 Cb -0.23 -1.91 0.66 0.00 -1.78 0.00 0.00 34.13 30.87 3daq s GLU 146 CO 0.08 -1.32 1.79 -1.35 -0.49 0.00 0.00 175.26 173.96 3daq h PRO 147 N 0.59 0.77 -0.17 0.39 0.11 -1.93 0.16 132.00 131.92 3daq h PRO 147 Ca -0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3daq h PRO 147 Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3daq h PRO 147 CO 0.54 0.51 0.05 1.05 -0.21 0.00 0.00 178.00 179.94 3daq h GLU 148 N 0.79 0.23 -0.04 1.05 9.09 -1.91 -1.27 114.58 122.53 3daq h GLU 148 Ca 0.54 -0.02 -0.25 0.00 0.05 0.00 0.00 59.36 59.68 3daq h GLU 148 Cb 0.76 -0.05 0.02 0.00 -1.65 0.00 0.00 28.75 27.84 3daq h GLU 148 CO -0.35 0.21 -0.94 1.15 0.05 0.00 0.00 179.01 179.13 3daq h THR 149 N 0.23 1.29 -0.85 -1.06 2.02 -1.10 -2.36 112.91 111.08 3daq h THR 149 Ca 0.06 -2.16 0.03 0.00 0.77 0.00 0.00 66.41 65.11 3daq h THR 149 Cb 0.08 2.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.75 3daq h THR 149 CO -0.00 0.67 0.54 0.58 0.37 0.00 0.00 175.52 177.68 3daq h VAL 150 N 0.38 1.13 0.06 3.16 2.07 -0.76 -0.88 116.25 121.42 3daq h VAL 150 Ca -0.11 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3daq h VAL 150 Cb 1.59 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3daq h VAL 150 CO 0.19 0.19 -0.09 -0.08 0.02 0.00 0.00 177.57 177.80 3daq h GLU 151 N 1.06 -0.18 -0.37 1.57 4.81 -1.14 0.12 114.58 120.45 3daq h GLU 151 Ca 0.34 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.64 3daq h GLU 151 Cb 0.01 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3daq h GLU 151 CO -0.12 -0.12 0.08 0.82 -0.73 0.00 0.00 179.01 178.94 3daq h ILE 152 N -0.18 0.82 -0.24 2.32 2.04 -1.10 -2.73 117.51 118.44 3daq h ILE 152 Ca 0.02 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 3daq h ILE 152 Cb 0.19 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3daq h ILE 152 CO -0.05 0.04 -0.31 -0.07 0.00 0.00 0.00 178.15 177.76 3daq h LEU 153 N 0.20 0.52 -2.54 1.44 3.38 -0.86 -2.61 115.31 114.83 3daq h LEU 153 Ca 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3daq h LEU 153 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3daq h LEU 153 CO -0.23 0.80 -0.02 0.77 0.09 0.00 0.00 178.44 179.86 3daq h SER 154 N 0.43 0.00 1.35 -0.43 4.64 -0.45 -1.15 113.55 117.94 3daq h SER 154 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3daq h SER 154 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3daq h SER 154 CO 0.06 0.02 0.00 1.56 -0.87 0.00 0.00 176.83 177.60 3daq h GLN 155 N 0.00 0.00 -6.66 4.77 1.08 -1.40 -3.45 115.11 109.46 3daq h GLN 155 Ca -0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3daq h GLN 155 Cb 0.10 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.57 3daq h GLN 155 CO 0.00 0.00 0.78 -1.58 -0.95 0.00 0.00 178.83 177.08 3daq s HIS 156 N -3.27 3.10 0.58 2.96 2.46 -0.44 -4.92 115.29 115.77 3daq s HIS 156 Ca 0.07 0.91 0.28 0.00 0.47 0.00 0.00 55.06 56.79 3daq s HIS 156 Cb 0.09 -3.80 1.72 0.00 -0.13 0.00 0.00 32.58 30.46 3daq s HIS 156 CO 0.56 -2.76 2.19 -1.00 -2.47 0.00 0.00 174.74 171.26 3daq h PRO 157 N 5.98 0.00 -0.02 2.88 0.13 -1.88 -2.15 132.00 136.93 3daq h PRO 157 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3daq h PRO 157 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3daq h PRO 157 CO 0.84 0.00 -0.20 0.66 -0.23 0.00 0.00 178.00 179.07 3daq n TYR 158 N -3.89 0.00 -3.46 1.56 4.01 -1.26 -4.86 117.16 109.26 3daq n TYR 158 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 3daq n TYR 158 Cb 0.17 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 3daq n TYR 158 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3daq s ILE 159 N -1.94 5.26 0.00 -0.72 1.01 -0.81 0.34 121.20 124.35 3daq s ILE 159 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3daq s ILE 159 Cb 0.16 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3daq s ILE 159 CO 0.37 -0.30 0.19 1.33 0.00 0.00 0.00 174.94 176.53 3daq n VAL 160 N 5.16 0.00 -3.61 2.92 0.24 -0.32 -4.63 118.33 118.09 3daq n VAL 160 Ca -0.11 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.34 61.68 3daq n VAL 160 Cb 0.47 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3daq n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3daq s ALA 161 N -0.49 -1.64 -0.07 2.33 0.00 -1.15 -1.52 121.76 119.21 3daq s ALA 161 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3daq s ALA 161 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3daq s ALA 161 CO 0.00 -0.86 -0.06 -1.17 0.00 0.00 0.00 175.76 173.67 3daq s LEU 162 N -2.74 1.22 -0.47 0.00 2.96 -0.02 -0.72 118.68 118.91 3daq s LEU 162 Ca 0.07 -0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 53.55 3daq s LEU 162 Cb -0.02 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 46.10 3daq s LEU 162 CO -0.04 -0.08 0.85 -0.75 -1.32 0.00 0.00 176.35 175.02 3daq s LYS 163 N 1.22 3.43 -0.53 1.98 2.20 0.14 -0.80 119.74 127.39 3daq s LYS 163 Ca -0.06 -0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.41 3daq s LYS 163 Cb -0.14 -3.95 0.13 0.00 -1.51 0.00 0.00 37.83 32.36 3daq s LYS 163 CO -0.02 -1.21 0.42 0.34 -0.36 0.00 0.00 175.35 174.52 3daq s ASP 164 N 2.29 5.84 -0.37 1.43 2.15 0.72 -1.27 116.67 127.47 3daq s ASP 164 Ca 0.32 -2.05 0.07 0.00 0.43 0.00 0.00 52.55 51.32 3daq s ASP 164 Cb -0.12 -2.05 0.67 0.00 -0.30 0.00 0.00 42.92 41.12 3daq s ASP 164 CO 0.23 -0.68 1.80 0.00 -0.17 0.00 0.00 175.17 176.35 3daq n ALA 165 N 4.75 4.97 0.19 3.66 0.00 -0.10 -0.89 120.51 133.10 3daq n ALA 165 Ca -0.05 -2.73 0.05 0.00 0.00 0.00 0.00 53.44 50.70 3daq n ALA 165 Cb 0.41 -1.25 0.34 0.00 0.00 0.00 0.00 19.45 18.95 3daq n ALA 165 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3daq h THR 166 N 1.59 0.96 -5.74 0.00 1.35 -1.91 -3.42 112.91 105.74 3daq h THR 166 Ca 0.43 -1.53 -0.43 0.00 -0.55 0.00 0.00 66.41 64.33 3daq h THR 166 Cb 2.46 1.91 -0.05 0.00 -1.73 0.00 0.00 68.15 70.74 3daq h THR 166 CO 0.84 0.38 -0.66 -3.20 -0.25 0.00 0.00 175.52 172.63 3daq n ASN 167 N -3.60 -4.54 -3.88 5.36 5.15 -1.26 -4.95 115.26 107.53 3daq n ASN 167 Ca -0.01 -0.57 -0.30 0.00 -0.60 0.00 0.00 54.58 53.11 3daq n ASN 167 Cb 0.50 -3.67 -0.16 0.00 -0.53 0.00 0.00 39.78 35.92 3daq n ASN 167 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3daq s ASP 168 N -2.99 3.73 0.39 1.20 -1.08 -1.26 -5.00 116.67 111.66 3daq s ASP 168 Ca 0.52 -1.21 0.24 0.00 -0.52 0.00 0.00 52.55 51.58 3daq s ASP 168 Cb -0.26 -1.05 0.47 0.00 -1.46 0.00 0.00 42.92 40.62 3daq s ASP 168 CO 0.64 -0.28 1.66 -0.26 0.52 0.00 0.00 175.17 177.45 3daq h PHE 169 N 8.01 0.00 -0.33 -5.34 -1.00 -1.99 -1.70 116.94 114.58 3daq h PHE 169 Ca -0.16 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.54 3daq h PHE 169 Cb 1.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 3daq h PHE 169 CO 0.44 0.00 -0.10 1.49 -1.61 0.00 0.00 178.31 178.53 3daq h GLU 170 N 0.00 0.65 -0.53 1.51 4.57 -1.99 -1.98 114.58 116.81 3daq h GLU 170 Ca 0.00 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 57.99 3daq h GLU 170 Cb 0.93 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.43 3daq h GLU 170 CO 0.00 0.84 0.21 -0.92 -1.18 0.00 0.00 179.01 177.95 3daq h TYR 171 N 0.43 0.37 -0.48 0.92 5.03 -1.92 -0.57 116.97 120.75 3daq h TYR 171 Ca 0.08 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.45 3daq h TYR 171 Cb 0.60 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.76 3daq h TYR 171 CO 0.05 0.13 0.27 1.25 -1.32 0.00 0.00 178.16 178.54 3daq h LEU 172 N 0.40 0.41 -0.86 2.82 5.85 -1.19 0.36 115.31 123.10 3daq h LEU 172 Ca 0.26 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 3daq h LEU 172 Cb 0.27 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3daq h LEU 172 CO -0.25 0.29 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.70 3daq h GLU 173 N 0.53 0.72 -0.37 1.25 4.39 -0.89 0.84 114.58 121.06 3daq h GLU 173 Ca 0.20 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3daq h GLU 173 Cb 0.06 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3daq h GLU 173 CO -0.11 0.81 -0.17 0.93 -1.16 0.00 0.00 179.01 179.31 3daq h GLU 174 N 0.65 0.69 -0.11 2.33 4.39 -0.54 -2.11 114.58 119.88 3daq h GLU 174 Ca 0.11 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3daq h GLU 174 Cb 0.58 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3daq h GLU 174 CO 0.04 0.82 -0.16 0.28 -1.16 0.00 0.00 179.01 178.83 3daq h VAL 175 N 0.62 1.38 -0.95 3.13 2.07 -0.60 -3.27 116.25 118.63 3daq h VAL 175 Ca 0.10 -1.40 0.11 0.00 0.82 0.00 0.00 66.70 66.33 3daq h VAL 175 Cb 0.64 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 3daq h VAL 175 CO 0.04 0.40 0.60 0.11 0.02 0.00 0.00 177.57 178.75 3daq h LYS 176 N -0.13 0.88 0.00 1.57 1.57 -0.67 -0.49 116.57 119.31 3daq h LYS 176 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3daq h LYS 176 Cb 0.72 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3daq h LYS 176 CO 0.04 0.59 0.00 0.36 -0.57 0.00 0.00 179.45 179.86 3daq n LYS 177 N -4.57 0.08 -0.00 3.15 2.85 -0.81 -3.22 118.16 115.64 3daq n LYS 177 Ca 0.17 0.15 0.04 0.00 -1.05 0.00 0.00 58.31 57.62 3daq n LYS 177 Cb 0.35 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.18 3daq n LYS 177 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3daq n ARG 178 N -1.44 2.94 -4.52 -1.58 1.74 -0.25 -5.04 116.66 108.51 3daq n ARG 178 Ca 0.06 -0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.86 3daq n ARG 178 Cb 0.20 -1.00 -0.11 0.00 -1.02 0.00 0.00 32.46 30.54 3daq n ARG 178 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3daq s ILE 179 N -2.06 2.07 -0.36 0.55 -5.25 -0.85 -4.78 121.20 110.51 3daq s ILE 179 Ca 0.01 -2.17 -0.11 0.00 -0.99 0.00 0.00 60.65 57.39 3daq s ILE 179 Cb 0.06 -2.64 0.01 0.00 2.95 0.00 0.00 42.46 42.85 3daq s ILE 179 CO 0.36 -0.20 0.21 -0.62 -1.79 0.00 0.00 174.94 172.89 3daq s ASP 180 N -3.58 5.78 0.54 4.36 -1.08 -1.26 -4.87 116.67 116.55 3daq s ASP 180 Ca 0.32 -0.78 0.24 0.00 -0.52 0.00 0.00 52.55 51.81 3daq s ASP 180 Cb 0.03 -2.05 1.41 0.00 -1.46 0.00 0.00 42.92 40.86 3daq s ASP 180 CO 0.16 -0.33 2.04 0.71 0.52 0.00 0.00 175.17 178.27 3daq h THR 181 N 5.73 0.74 -0.05 1.71 1.35 -1.91 0.11 112.91 120.59 3daq h THR 181 Ca -0.28 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.48 3daq h THR 181 Cb 1.12 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3daq h THR 181 CO 0.66 0.00 -0.43 0.78 -0.25 0.00 0.00 175.52 176.28 3daq h ASN 182 N 0.00 0.10 -0.00 5.36 2.35 -2.01 -3.31 115.58 118.07 3daq h ASN 182 Ca 0.17 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3daq h ASN 182 Cb 0.73 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3daq h ASN 182 CO -0.00 0.52 -0.12 -1.54 -1.65 0.00 0.00 177.43 174.64 3daq n SER 183 N -4.02 0.51 -3.71 5.81 3.41 -0.68 -4.66 113.62 110.27 3daq n SER 183 Ca -0.02 -0.75 -0.28 0.00 -0.26 0.00 0.00 58.87 57.56 3daq n SER 183 Cb 0.47 0.71 -0.16 0.00 -0.26 0.00 0.00 64.21 64.97 3daq n SER 183 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3daq s PHE 184 N -1.05 1.01 0.25 7.33 5.36 0.28 -4.77 117.98 126.39 3daq s PHE 184 Ca 0.02 -0.94 -0.20 0.00 -0.96 0.00 0.00 56.93 54.86 3daq s PHE 184 Cb 0.03 -1.08 -0.09 0.00 -0.34 0.00 0.00 43.02 41.54 3daq s PHE 184 CO 0.12 -0.65 0.75 0.00 -1.46 0.00 0.00 175.22 173.98 3daq s ALA 185 N 1.86 3.38 -0.24 11.12 0.00 -0.58 -4.23 121.76 133.07 3daq s ALA 185 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 3daq s ALA 185 Cb -0.17 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.13 3daq s ALA 185 CO -0.12 0.31 -0.08 -0.51 0.00 0.00 0.00 175.76 175.36 3daq s LEU 186 N -2.15 3.11 -0.14 0.00 1.43 -1.26 -0.84 118.68 118.83 3daq s LEU 186 Ca 0.46 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3daq s LEU 186 Cb -0.16 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3daq s LEU 186 CO 0.21 -0.12 -0.09 -0.31 0.23 0.00 0.00 176.35 176.26 3daq s TYR 187 N 1.30 2.90 0.43 0.29 1.51 0.02 -0.39 117.35 123.42 3daq s TYR 187 Ca -0.00 -0.49 -0.25 0.00 -1.01 0.00 0.00 57.07 55.31 3daq s TYR 187 Cb -0.17 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.72 3daq s TYR 187 CO -0.05 -0.13 1.33 0.45 -1.11 0.00 0.00 175.55 176.03 3daq s SER 188 N 0.33 6.10 -0.14 2.29 0.15 -0.24 -0.20 113.70 121.99 3daq s SER 188 Ca -0.08 2.71 0.15 0.00 0.70 0.00 0.00 55.95 59.43 3daq s SER 188 Cb -0.15 -2.64 0.50 0.00 -1.71 0.00 0.00 66.02 62.02 3daq s SER 188 CO 0.05 -1.00 1.41 0.61 1.20 0.00 0.00 173.24 175.50 3daq n GLY 189 N 0.63 3.63 2.75 9.45 0.00 -0.07 -0.87 105.19 120.72 3daq n GLY 189 Ca 0.05 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 3daq n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3daq s ASN 190 N -1.61 3.07 0.44 1.61 3.84 -1.26 -4.71 114.94 116.32 3daq s ASN 190 Ca 0.39 -0.91 0.20 0.00 0.21 0.00 0.00 52.86 52.75 3daq s ASN 190 Cb 0.29 -0.67 1.17 0.00 -0.55 0.00 0.00 41.25 41.49 3daq s ASN 190 CO 0.11 -0.31 1.86 0.44 -2.79 0.00 0.00 177.10 176.42 3daq h ASP 191 N 8.21 0.32 0.06 -4.21 3.32 -1.90 -2.44 116.42 119.78 3daq h ASP 191 Ca -0.16 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3daq h ASP 191 Cb 1.11 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 3daq h ASP 191 CO 0.35 0.13 -0.04 0.44 -1.72 0.00 0.00 179.24 178.39 3daq h ASP 192 N 0.32 0.00 -0.59 6.45 3.32 -1.99 -3.21 116.42 120.72 3daq h ASP 192 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3daq h ASP 192 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3daq h ASP 192 CO -0.15 0.04 0.00 -0.46 -1.72 0.00 0.00 179.24 176.96 3daq n ASN 193 N -4.31 3.77 0.02 6.45 0.23 -0.92 -4.69 115.26 115.82 3daq n ASN 193 Ca -0.03 -2.11 0.01 0.00 -0.53 0.00 0.00 54.58 51.92 3daq n ASN 193 Cb 0.13 -0.43 0.33 0.00 -2.08 0.00 0.00 39.78 37.73 3daq n ASN 193 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 3daq h VAL 194 N 3.47 1.18 0.11 3.53 -1.51 -1.70 -0.04 116.25 121.28 3daq h VAL 194 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3daq h VAL 194 Cb 1.00 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 3daq h VAL 194 CO 0.04 0.24 -0.10 0.58 -1.23 0.00 0.00 177.57 177.10 3daq h VAL 195 N 0.46 0.77 -0.29 7.19 2.07 -1.88 0.77 116.25 125.35 3daq h VAL 195 Ca 0.10 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.48 3daq h VAL 195 Cb 0.28 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3daq h VAL 195 CO 0.01 0.00 -0.39 -0.08 0.02 0.00 0.00 177.57 177.12 3daq h GLU 196 N -0.23 0.69 -0.74 1.57 4.81 -1.85 -1.80 114.58 117.03 3daq h GLU 196 Ca 0.00 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3daq h GLU 196 Cb 0.22 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3daq h GLU 196 CO -0.02 0.96 0.45 -0.92 -0.73 0.00 0.00 179.01 178.76 3daq h TYR 197 N 0.57 0.96 -0.32 0.92 3.20 -0.71 0.13 116.97 121.73 3daq h TYR 197 Ca 0.05 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3daq h TYR 197 Cb 0.93 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3daq h TYR 197 CO 0.04 0.64 -0.25 1.88 -1.64 0.00 0.00 178.16 178.84 3daq h TYR 198 N 1.01 0.87 -0.56 -3.82 0.05 -0.79 -0.93 116.97 112.78 3daq h TYR 198 Ca 0.27 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3daq h TYR 198 Cb -0.05 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3daq h TYR 198 CO -0.01 0.99 0.37 0.37 -1.05 0.00 0.00 178.16 178.82 3daq h GLN 199 N 0.50 0.74 -0.35 4.88 4.15 -0.95 -2.13 115.11 121.95 3daq h GLN 199 Ca 0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3daq h GLN 199 Cb 0.81 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3daq h GLN 199 CO 0.07 0.50 0.00 0.54 -1.93 0.00 0.00 178.83 178.00 3daq n ARG 200 N -4.44 1.79 -0.13 1.69 1.74 0.00 -4.89 116.66 112.42 3daq n ARG 200 Ca 0.05 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 3daq n ARG 200 Cb 0.05 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3daq n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3daq n GLY 201 N 0.94 0.92 3.80 -0.13 0.00 -0.80 -5.04 105.19 104.88 3daq n GLY 201 Ca 0.11 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3daq n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3daq s GLY 202 N -2.10 1.72 0.00 -0.02 0.00 -0.37 -4.92 107.32 101.62 3daq s GLY 202 Ca 0.00 0.20 0.24 0.00 0.00 0.00 0.00 44.72 45.15 3daq s GLY 202 CO 0.00 0.52 1.25 -1.06 0.00 0.00 0.00 173.10 173.81 3daq n GLN 203 N -3.20 0.24 -0.74 2.90 3.00 0.48 -4.73 117.38 115.33 3daq n GLN 203 Ca 0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3daq n GLN 203 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.28 3daq n GLN 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3daq n GLY 204 N 1.47 -0.19 3.28 1.08 0.00 -1.24 -0.77 105.19 108.82 3daq n GLY 204 Ca 0.06 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3daq n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daq s VAL 205 N -3.76 0.05 -0.32 1.61 0.11 -0.41 -1.08 120.40 116.60 3daq s VAL 205 Ca 0.00 -0.41 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 3daq s VAL 205 Cb 0.00 -0.67 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 3daq s VAL 205 CO 0.00 -0.23 0.05 -0.63 -3.33 0.00 0.00 175.10 170.97 3daq s ILE 206 N -1.33 3.31 -0.07 7.04 1.01 -0.05 -0.66 121.20 130.44 3daq s ILE 206 Ca -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 60.65 59.21 3daq s ILE 206 Cb -0.04 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3daq s ILE 206 CO 0.05 -0.17 -0.14 -0.55 0.00 0.00 0.00 174.94 174.13 3daq s SER 207 N 1.35 4.06 -0.11 3.58 0.15 0.28 -4.59 113.70 118.44 3daq s SER 207 Ca -0.03 -0.22 -0.28 0.00 0.70 0.00 0.00 55.95 56.12 3daq s SER 207 Cb -0.20 -1.07 -0.24 0.00 -1.71 0.00 0.00 66.02 62.80 3daq s SER 207 CO 0.00 0.30 0.91 0.58 1.20 0.00 0.00 173.24 176.23 3daq h VAL 208 N 4.62 1.68 0.00 4.45 2.07 -1.88 -0.31 116.25 126.89 3daq h VAL 208 Ca -0.41 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 3daq h VAL 208 Cb 1.17 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.99 3daq h VAL 208 CO 0.52 0.52 -0.11 -0.29 0.02 0.00 0.00 177.57 178.23 3daq h ILE 209 N -0.85 0.39 0.00 4.57 6.09 -1.95 -1.46 117.51 124.30 3daq h ILE 209 Ca -0.00 -0.62 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 3daq h ILE 209 Cb 0.86 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.59 3daq h ILE 209 CO 0.00 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.19 3daq n ALA 210 N -2.21 1.30 0.26 0.18 0.00 -1.26 -1.31 120.51 117.47 3daq n ALA 210 Ca -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.51 3daq n ALA 210 Cb 0.28 -1.11 0.71 0.00 0.00 0.00 0.00 19.45 19.33 3daq n ALA 210 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3daq h ASN 211 N 0.00 0.00 0.00 0.00 4.21 -1.47 -3.06 115.58 115.26 3daq h ASN 211 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3daq h ASN 211 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3daq h ASN 211 CO 0.00 0.00 -0.82 1.33 -1.29 0.00 0.00 177.43 176.65 3daq n VAL 212 N -4.36 0.00 -2.80 2.81 0.24 -0.43 -4.80 118.33 108.99 3daq n VAL 212 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.04 3daq n VAL 212 Cb 0.11 -0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 3daq n VAL 212 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3daq n ILE 213 N -1.46 2.05 -0.28 1.34 -5.35 -0.66 -4.92 119.36 110.09 3daq n ILE 213 Ca 0.00 -4.89 -0.02 0.00 -0.27 0.00 0.00 62.75 57.56 3daq n ILE 213 Cb 0.19 -0.90 0.10 0.00 -1.74 0.00 0.00 39.64 37.28 3daq n ILE 213 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3daq h PRO 214 N 2.86 0.94 -0.14 6.28 0.13 -1.76 -1.38 132.00 138.94 3daq h PRO 214 Ca 0.15 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3daq h PRO 214 Cb 0.80 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3daq h PRO 214 CO 0.73 0.63 0.06 -0.22 -0.23 0.00 0.00 178.00 178.97 3daq h LYS 215 N 0.97 0.21 -0.33 0.86 3.64 -1.83 -1.11 116.57 118.98 3daq h LYS 215 Ca 0.32 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3daq h LYS 215 Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3daq h LYS 215 CO -0.11 0.29 -0.27 0.93 -2.27 0.00 0.00 179.45 178.01 3daq h GLU 216 N 0.08 0.69 -0.19 1.90 3.07 -1.84 -0.39 114.58 117.90 3daq h GLU 216 Ca 0.05 -0.29 -0.15 0.00 -0.50 0.00 0.00 59.36 58.47 3daq h GLU 216 Cb 0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3daq h GLU 216 CO -0.00 0.89 -0.45 0.35 -1.40 0.00 0.00 179.01 178.39 3daq h PHE 217 N 0.59 0.83 -0.49 4.33 3.57 -1.10 -2.82 116.94 121.85 3daq h PHE 217 Ca 0.08 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 3daq h PHE 217 Cb 0.77 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3daq h PHE 217 CO 0.04 1.09 0.08 0.37 -2.23 0.00 0.00 178.31 177.65 3daq h GLN 218 N 0.33 0.76 -0.51 1.11 5.75 -1.16 -2.57 115.11 118.83 3daq h GLN 218 Ca -0.00 -0.17 0.09 0.00 -0.15 0.00 0.00 58.65 58.42 3daq h GLN 218 Cb 1.06 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 3daq h GLN 218 CO 0.10 0.72 0.34 0.00 -2.65 0.00 0.00 178.83 177.34 3daq h ALA 219 N 1.36 2.05 -0.14 3.38 0.00 -0.92 -1.02 119.26 123.97 3daq h ALA 219 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3daq h ALA 219 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3daq h ALA 219 CO 0.00 -0.16 0.07 -0.07 0.00 0.00 0.00 179.25 179.10 3daq h LEU 220 N 0.33 0.18 -0.14 0.00 3.38 -1.21 0.79 115.31 118.63 3daq h LEU 220 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3daq h LEU 220 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3daq h LEU 220 CO -0.05 0.23 0.06 0.22 0.09 0.00 0.00 178.44 178.99 3daq h TYR 221 N 0.11 0.21 -0.72 1.13 3.20 -1.32 -2.17 116.97 117.40 3daq h TYR 221 Ca 0.05 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3daq h TYR 221 Cb 0.10 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3daq h TYR 221 CO -0.03 0.27 0.34 -0.44 -1.64 0.00 0.00 178.16 176.66 3daq h ASP 222 N 0.09 0.94 -0.05 -2.11 3.32 -1.18 -0.46 116.42 116.97 3daq h ASP 222 Ca 0.05 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3daq h ASP 222 Cb 0.14 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3daq h ASP 222 CO -0.01 0.80 0.02 0.00 -1.72 0.00 0.00 179.24 178.34 3daq h ALA 223 N 1.34 0.06 -0.08 3.45 0.00 -0.63 -0.57 119.26 122.83 3daq h ALA 223 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3daq h ALA 223 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3daq h ALA 223 CO -0.03 -0.40 -0.42 -0.56 0.00 0.00 0.00 179.25 177.84 3daq h GLN 224 N -0.02 0.19 -0.39 0.00 -0.00 -1.24 -1.07 115.11 112.58 3daq h GLN 224 Ca 0.02 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 3daq h GLN 224 Cb 0.08 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.54 3daq h GLN 224 CO -0.00 0.58 0.09 1.96 -0.00 0.00 0.00 178.83 181.46 3daq h GLN 225 N 0.16 0.57 -0.00 0.06 7.50 -0.74 -1.75 115.11 120.90 3daq h GLN 225 Ca 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.07 3daq h GLN 225 Cb 0.81 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.24 3daq h GLN 225 CO 0.06 0.52 -0.03 -1.13 -1.50 0.00 0.00 178.83 176.76 3daq n SER 226 N -4.33 0.17 0.00 1.46 3.41 -0.25 -4.91 113.62 109.17 3daq n SER 226 Ca 0.02 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3daq n SER 226 Cb 0.19 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3daq n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3daq n GLY 227 N 1.20 0.82 3.76 5.00 0.00 -0.66 -5.08 105.19 110.24 3daq n GLY 227 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3daq n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3daq s LEU 228 N 0.00 4.47 -0.00 0.99 1.43 -0.46 -4.98 118.68 120.13 3daq s LEU 228 Ca 0.00 2.28 -0.36 0.00 -1.03 0.00 0.00 54.13 55.02 3daq s LEU 228 Cb 0.00 -3.72 -0.14 0.00 0.03 0.00 0.00 46.19 42.36 3daq s LEU 228 CO 0.00 -0.25 1.65 -0.90 0.23 0.00 0.00 176.35 177.08 3daq n ASP 229 N 0.94 2.78 -0.17 2.29 5.68 -1.26 -3.85 116.55 122.96 3daq n ASP 229 Ca 0.00 1.06 0.02 0.00 -0.50 0.00 0.00 54.79 55.37 3daq n ASP 229 Cb 0.45 -1.31 0.05 0.00 -1.14 0.00 0.00 41.12 39.17 3daq n ASP 229 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3daq n ILE 230 N 3.95 1.06 -0.07 2.12 -5.35 -1.26 -4.67 119.36 115.14 3daq n ILE 230 Ca 0.21 -1.07 -0.10 0.00 -0.27 0.00 0.00 62.75 61.52 3daq n ILE 230 Cb 0.24 0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 38.57 3daq n ILE 230 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3daq h GLN 231 N 0.52 0.34 -0.46 6.28 7.50 -1.99 0.11 115.11 127.41 3daq h GLN 231 Ca 0.00 -0.03 -0.12 0.00 0.50 0.00 0.00 58.65 59.00 3daq h GLN 231 Cb 0.59 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 3daq h GLN 231 CO 0.00 0.28 -0.18 -0.44 -1.50 0.00 0.00 178.83 177.00 3daq h ASP 232 N 0.30 0.95 -0.38 1.46 3.32 -2.02 -2.73 116.42 117.33 3daq h ASP 232 Ca 0.09 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 3daq h ASP 232 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3daq h ASP 232 CO -0.02 1.13 0.17 -0.61 -1.72 0.00 0.00 179.24 178.19 3daq h GLN 233 N 0.77 0.62 -0.07 3.56 4.15 -1.80 -2.45 115.11 119.90 3daq h GLN 233 Ca 0.11 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 3daq h GLN 233 Cb 0.75 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3daq h GLN 233 CO 0.06 0.52 -0.45 0.35 -1.93 0.00 0.00 178.83 177.37 3daq h PHE 234 N 0.62 0.20 -0.55 3.99 3.57 -0.62 -3.38 116.94 120.77 3daq h PHE 234 Ca 0.15 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.69 3daq h PHE 234 Cb 0.13 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.72 3daq h PHE 234 CO 0.01 0.60 -0.38 0.87 -2.23 0.00 0.00 178.31 177.18 3daq h LYS 235 N 0.14 -0.20 -0.04 1.11 1.57 -1.13 0.31 116.57 118.34 3daq h LYS 235 Ca 0.01 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3daq h LYS 235 Cb 0.86 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3daq h LYS 235 CO 0.07 -0.13 -0.23 -1.00 -0.57 0.00 0.00 179.45 177.58 3daq h PRO 236 N -0.21 0.06 -0.35 3.15 0.13 -1.76 -1.23 132.00 131.79 3daq h PRO 236 Ca 0.20 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 3daq h PRO 236 Cb 0.56 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3daq h PRO 236 CO -0.66 0.29 0.02 0.82 -0.23 0.00 0.00 178.00 178.24 3daq h ILE 237 N 0.06 1.25 -0.86 -3.56 2.04 -1.08 -2.55 117.51 112.82 3daq h ILE 237 Ca 0.01 -0.93 0.15 0.00 1.00 0.00 0.00 64.86 65.09 3daq h ILE 237 Cb 0.45 1.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 3daq h ILE 237 CO 0.03 0.31 0.44 1.23 0.00 0.00 0.00 178.15 180.16 3daq h GLY 238 N 0.42 1.40 1.00 5.37 0.00 0.25 0.12 103.07 111.64 3daq h GLY 238 Ca 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3daq h GLY 238 CO 0.01 -0.05 0.24 -0.84 0.00 0.00 0.00 176.54 175.91 3daq h THR 239 N 0.62 1.23 -0.53 4.70 2.02 -1.08 0.42 112.91 120.30 3daq h THR 239 Ca 0.47 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3daq h THR 239 Cb 0.68 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3daq h THR 239 CO -0.37 0.29 0.09 0.25 0.37 0.00 0.00 175.52 176.14 3daq h LEU 240 N 0.87 0.85 -1.02 2.58 5.85 -0.92 -2.37 115.31 121.15 3daq h LEU 240 Ca 0.21 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3daq h LEU 240 Cb 0.22 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3daq h LEU 240 CO -0.02 0.90 0.46 -0.07 -0.34 0.00 0.00 178.44 179.37 3daq h LEU 241 N 0.77 1.02 -0.71 2.25 3.38 -0.41 -0.09 115.31 121.52 3daq h LEU 241 Ca 0.16 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3daq h LEU 241 Cb 0.41 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3daq h LEU 241 CO 0.01 0.81 0.43 0.28 0.09 0.00 0.00 178.44 180.06 3daq h SER 242 N 1.15 0.68 -0.36 -0.43 0.02 -0.69 -1.82 113.55 112.09 3daq h SER 242 Ca 0.29 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.19 3daq h SER 242 Cb 0.02 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3daq h SER 242 CO -0.05 0.45 0.01 0.00 -1.14 0.00 0.00 176.83 176.10 3daq h ALA 243 N 1.33 1.17 0.00 3.77 0.00 -0.81 -2.36 119.26 122.36 3daq h ALA 243 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3daq h ALA 243 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3daq h ALA 243 CO -0.14 0.54 0.00 1.25 0.00 0.00 0.00 179.25 180.90 3daq h LEU 244 N 0.69 0.00 0.00 0.00 5.85 -0.24 -3.00 115.31 118.61 3daq h LEU 244 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3daq h LEU 244 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3daq h LEU 244 CO 0.02 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.58 3daq n SER 245 N -2.96 0.00 0.09 1.25 3.41 -0.85 -3.97 113.62 110.58 3daq n SER 245 Ca -0.01 -0.83 0.17 0.00 -0.26 0.00 0.00 58.87 57.94 3daq n SER 245 Cb 0.20 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 64.86 3daq n SER 245 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3daq h VAL 246 N 0.00 0.74 -3.81 -3.33 3.04 -1.70 -3.44 116.25 107.75 3daq h VAL 246 Ca 0.00 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.47 3daq h VAL 246 Cb 0.00 0.80 -0.05 0.00 -2.01 0.00 0.00 31.29 30.03 3daq h VAL 246 CO 0.00 0.00 -0.04 -0.62 -1.01 0.00 0.00 177.57 175.90 3daq s ASP 247 N -6.31 0.76 0.02 3.17 -1.08 -1.25 -5.08 116.67 106.89 3daq s ASP 247 Ca -0.05 -1.45 -0.30 0.00 -0.52 0.00 0.00 52.55 50.23 3daq s ASP 247 Cb 0.18 0.74 -0.05 0.00 -1.46 0.00 0.00 42.92 42.33 3daq s ASP 247 CO 0.69 -1.46 1.26 -0.51 0.52 0.00 0.00 175.17 175.66 3daq s ILE 248 N -2.67 3.98 0.35 4.11 1.10 -1.26 -4.63 121.20 122.18 3daq s ILE 248 Ca 0.26 1.38 -0.28 0.00 -0.51 0.00 0.00 60.65 61.51 3daq s ILE 248 Cb -0.02 -3.89 -0.12 0.00 0.15 0.00 0.00 42.46 38.58 3daq s ILE 248 CO 0.19 0.05 1.35 -3.20 -2.11 0.00 0.00 174.94 171.22 3daq n ASN 249 N 4.63 3.05 -1.60 4.50 5.15 -1.26 -0.77 115.26 128.95 3daq n ASN 249 Ca 0.11 1.21 -0.03 0.00 -0.60 0.00 0.00 54.58 55.26 3daq n ASN 249 Cb 0.45 -1.52 0.22 0.00 -0.53 0.00 0.00 39.78 38.40 3daq n ASN 249 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3daq n PRO 250 N 0.61 2.98 0.02 1.20 -0.04 -1.26 -4.93 135.00 133.58 3daq n PRO 250 Ca 0.04 -2.12 -0.10 0.00 -0.04 0.00 0.00 63.50 61.28 3daq n PRO 250 Cb 0.37 -1.94 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 3daq n PRO 250 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3daq h ILE 251 N 1.95 0.67 -0.12 0.52 2.04 -1.27 -2.64 117.51 118.67 3daq h ILE 251 Ca 0.17 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 3daq h ILE 251 Cb 1.81 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3daq h ILE 251 CO 0.50 0.00 -0.20 -0.65 0.00 0.00 0.00 178.15 177.80 3daq h PRO 252 N -0.17 0.35 -0.65 2.37 0.11 -1.82 -3.31 132.00 128.88 3daq h PRO 252 Ca 0.07 -0.21 0.06 0.00 0.11 0.00 0.00 66.00 66.02 3daq h PRO 252 Cb 0.27 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 3daq h PRO 252 CO -0.18 0.80 0.43 0.97 -0.21 0.00 0.00 178.00 179.80 3daq h ILE 253 N -0.06 1.02 0.00 4.15 6.09 -1.87 0.36 117.51 127.20 3daq h ILE 253 Ca 0.01 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 3daq h ILE 253 Cb 0.77 0.30 0.00 0.00 0.47 0.00 0.00 36.82 38.35 3daq h ILE 253 CO 0.05 0.12 0.00 0.11 -3.07 0.00 0.00 178.15 175.36 3daq h LYS 254 N 0.66 0.00 -0.07 2.19 1.57 -1.56 0.41 116.57 119.77 3daq h LYS 254 Ca 0.28 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3daq h LYS 254 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3daq h LYS 254 CO -0.08 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.66 3daq h ALA 255 N 2.00 1.65 0.12 3.86 0.00 -1.01 -2.35 119.26 123.53 3daq h ALA 255 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.38 3daq h ALA 255 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3daq h ALA 255 CO 0.00 0.26 -2.00 1.28 0.00 0.00 0.00 179.25 178.78 3daq n LEU 256 N -4.33 2.64 -0.22 0.00 4.77 -0.00 -2.84 117.00 117.02 3daq n LEU 256 Ca -0.02 0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3daq n LEU 256 Cb 0.23 -1.12 0.03 0.00 -2.33 0.00 0.00 43.42 40.24 3daq n LEU 256 CO 0.37 0.85 1.04 0.71 -1.33 0.00 0.00 177.39 179.03 3daq h THR 257 N 0.06 1.21 -0.77 -5.08 1.35 -1.22 -1.27 112.91 107.19 3daq h THR 257 Ca -0.43 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 64.82 3daq h THR 257 Cb 2.02 0.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.88 3daq h THR 257 CO 0.08 0.24 0.35 0.77 -0.25 0.00 0.00 175.52 176.72 3daq h SER 258 N 0.84 1.00 -0.40 5.36 4.64 -1.46 -1.52 113.55 122.02 3daq h SER 258 Ca 0.21 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3daq h SER 258 Cb 0.10 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3daq h SER 258 CO -0.03 0.86 0.26 0.22 -0.87 0.00 0.00 176.83 177.27 3daq h TYR 259 N 1.09 0.49 -0.03 4.77 3.20 -1.24 -0.25 116.97 125.00 3daq h TYR 259 Ca 0.26 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3daq h TYR 259 Cb 0.13 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3daq h TYR 259 CO 0.01 0.30 0.00 1.28 -1.64 0.00 0.00 178.16 178.12 3daq n LEU 260 N -4.48 0.46 0.00 2.82 4.32 -0.54 -4.89 117.00 114.69 3daq n LEU 260 Ca 0.03 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3daq n LEU 260 Cb 0.07 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 3daq n LEU 260 CO 0.35 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 3daq n GLY 261 N 0.97 0.88 3.29 -0.72 0.00 -0.10 -5.04 105.19 104.47 3daq n GLY 261 Ca 0.19 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3daq n GLY 261 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3daq s PHE 262 N -2.00 3.45 0.13 1.61 0.08 -0.63 -4.96 117.98 115.66 3daq s PHE 262 Ca 0.00 -1.69 0.00 0.00 0.12 0.00 0.00 56.93 55.36 3daq s PHE 262 Cb 0.00 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 3daq s PHE 262 CO 0.00 -1.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 3daq n GLY 263 N 4.69 -1.65 3.95 4.36 0.00 -1.26 -3.50 105.19 111.78 3daq n GLY 263 Ca -0.03 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 3daq n GLY 263 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3daq s ASN 264 N -4.27 5.24 -1.17 1.61 0.01 -0.13 -4.50 114.94 111.73 3daq s ASN 264 Ca 0.00 0.23 -0.19 0.00 -0.71 0.00 0.00 52.86 52.19 3daq s ASN 264 Cb 0.00 -1.10 0.09 0.00 0.41 0.00 0.00 41.25 40.65 3daq s ASN 264 CO 0.00 -1.21 1.54 -0.47 -1.51 0.00 0.00 177.10 175.45 3daq s TYR 265 N -2.90 2.88 -0.03 2.20 5.04 -1.26 -4.59 117.35 118.69 3daq s TYR 265 Ca 0.57 -1.49 0.01 0.00 -2.44 0.00 0.00 57.07 53.71 3daq s TYR 265 Cb -0.10 -4.61 0.02 0.00 0.35 0.00 0.00 41.96 37.62 3daq s TYR 265 CO 0.41 -1.73 -0.01 -2.00 -1.34 0.00 0.00 175.55 170.88 3daq s GLU 266 N 3.77 0.35 0.08 4.97 2.12 -1.26 -4.90 118.70 123.82 3daq s GLU 266 Ca 0.47 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.92 3daq s GLU 266 Cb 0.01 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 3daq s GLU 266 CO -0.00 -0.12 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.96 3daq s LEU 267 N 0.94 2.88 -0.05 2.70 2.01 -1.26 -4.74 118.68 121.16 3daq s LEU 267 Ca -0.10 -0.41 -0.16 0.00 0.01 0.00 0.00 54.13 53.47 3daq s LEU 267 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 46.19 44.32 3daq s LEU 267 CO -0.01 0.21 0.44 -0.60 1.01 0.00 0.00 176.35 177.39 3daq s ARG 268 N -1.95 4.13 0.39 1.70 3.52 -1.26 -4.74 118.95 120.74 3daq s ARG 268 Ca 0.19 0.44 -0.26 0.00 -0.13 0.00 0.00 55.73 55.96 3daq s ARG 268 Cb -0.11 -3.32 -0.11 0.00 -1.56 0.00 0.00 34.95 29.85 3daq s ARG 268 CO 0.10 0.45 1.20 1.28 -0.81 0.00 0.00 175.30 177.53 3daq n LEU 269 N 2.64 3.42 -0.08 -0.88 4.77 -1.26 -1.67 117.00 123.95 3daq n LEU 269 Ca -0.11 1.13 0.15 0.00 -0.03 0.00 0.00 56.01 57.15 3daq n LEU 269 Cb 0.52 -1.45 0.73 0.00 -2.33 0.00 0.00 43.42 40.89 3daq n LEU 269 CO 0.40 -0.84 0.97 -0.81 -1.33 0.00 0.00 177.39 175.79 3daq n PRO 270 N 0.26 0.76 -1.71 3.23 -0.04 -1.26 -4.92 135.00 131.32 3daq n PRO 270 Ca 0.07 -0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.05 3daq n PRO 270 Cb 0.38 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3daq n PRO 270 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3daq s LEU 271 N -2.35 3.31 0.06 1.53 1.43 -0.67 -5.06 118.68 116.92 3daq s LEU 271 Ca 0.34 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3daq s LEU 271 Cb 0.21 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 3daq s LEU 271 CO 0.44 -1.55 -0.04 0.68 0.23 0.00 0.00 176.35 176.11 3daq s VAL 272 N -2.60 0.33 0.68 -1.59 -7.23 -1.26 -4.33 120.40 104.40 3daq s VAL 272 Ca 0.63 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 3daq s VAL 272 Cb -0.17 -1.28 0.01 0.00 0.56 0.00 0.00 36.38 35.49 3daq s VAL 272 CO 0.45 -0.84 1.07 -0.94 -0.31 0.00 0.00 175.10 174.53 3daq s SER 273 N -2.61 5.27 0.71 4.85 1.04 -1.26 -4.81 113.70 116.89 3daq s SER 273 Ca 0.03 1.76 -0.16 0.00 0.48 0.00 0.00 55.95 58.06 3daq s SER 273 Cb 0.03 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.66 3daq s SER 273 CO -0.07 -1.52 1.25 -0.76 0.98 0.00 0.00 173.24 173.12 3daq s LEU 274 N -5.27 3.40 0.79 2.42 1.43 -1.26 -5.02 118.68 115.17 3daq s LEU 274 Ca 0.61 2.48 -0.11 0.00 -1.03 0.00 0.00 54.13 56.08 3daq s LEU 274 Cb -0.16 -4.60 0.07 0.00 0.03 0.00 0.00 46.19 41.52 3daq s LEU 274 CO 0.49 -2.23 1.09 -1.61 0.23 0.00 0.00 176.35 174.31 3daq s GLU 275 N -3.71 2.12 0.20 1.70 2.02 -1.26 -4.76 118.70 115.02 3daq s GLU 275 Ca 0.78 0.85 -0.10 0.00 0.02 0.00 0.00 54.97 56.52 3daq s GLU 275 Cb -0.33 -1.91 0.21 0.00 0.10 0.00 0.00 34.13 32.21 3daq s GLU 275 CO 0.44 -1.65 1.81 -0.44 0.02 0.00 0.00 175.26 175.44 3daq h ASP 276 N -1.12 0.53 -0.55 -0.19 3.32 -1.99 -1.23 116.42 115.19 3daq h ASP 276 Ca -0.46 0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.63 3daq h ASP 276 Cb 1.25 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3daq h ASP 276 CO 0.56 0.35 0.34 0.71 -1.72 0.00 0.00 179.24 179.48 3daq h THR 277 N 0.66 1.09 -0.32 0.35 1.35 -2.00 -0.67 112.91 113.38 3daq h THR 277 Ca 0.28 -0.24 -0.13 0.00 -0.55 0.00 0.00 66.41 65.77 3daq h THR 277 Cb 0.16 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 3daq h THR 277 CO -0.17 0.13 -0.35 0.44 -0.25 0.00 0.00 175.52 175.32 3daq h ASP 278 N 0.69 0.75 -0.48 5.36 3.32 -1.80 -1.91 116.42 122.36 3daq h ASP 278 Ca 0.21 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3daq h ASP 278 Cb -0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3daq h ASP 278 CO -0.08 1.03 0.31 0.74 -1.72 0.00 0.00 179.24 179.52 3daq h THR 279 N 0.60 1.10 -0.29 0.35 2.02 -0.83 -1.31 112.91 114.55 3daq h THR 279 Ca 0.06 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3daq h THR 279 Cb 0.87 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3daq h THR 279 CO 0.08 0.11 0.14 0.11 0.37 0.00 0.00 175.52 176.33 3daq h LYS 280 N 0.62 0.42 -0.70 6.66 6.56 -0.96 -1.13 116.57 128.05 3daq h LYS 280 Ca 0.18 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.72 3daq h LYS 280 Cb -0.05 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.50 3daq h LYS 280 CO -0.05 0.40 0.46 0.28 -2.06 0.00 0.00 179.45 178.47 3daq h VAL 281 N 0.34 1.17 -0.29 0.50 2.07 -1.18 -0.09 116.25 118.76 3daq h VAL 281 Ca 0.10 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3daq h VAL 281 Cb 0.12 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3daq h VAL 281 CO -0.01 0.17 -0.06 0.25 0.02 0.00 0.00 177.57 177.93 3daq h LEU 282 N 0.93 0.56 -1.18 2.57 5.85 -1.03 -0.74 115.31 122.27 3daq h LEU 282 Ca 0.26 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3daq h LEU 282 Cb -0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3daq h LEU 282 CO -0.06 0.79 0.29 0.03 -0.34 0.00 0.00 178.44 179.15 3daq h ARG 283 N 0.32 0.86 -0.46 1.25 3.08 -1.00 -1.30 114.38 117.13 3daq h ARG 283 Ca 0.07 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3daq h ARG 283 Cb 0.54 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3daq h ARG 283 CO 0.03 0.67 0.02 0.93 -1.07 0.00 0.00 179.97 180.55 3daq h GLU 284 N 0.86 0.74 -0.66 0.04 5.08 -0.78 0.05 114.58 119.92 3daq h GLU 284 Ca 0.21 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3daq h GLU 284 Cb 0.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3daq h GLU 284 CO -0.03 0.74 0.18 0.00 -1.00 0.00 0.00 179.01 178.91 3daq h ALA 285 N 1.32 0.86 -0.24 3.43 0.00 -0.33 0.95 119.26 125.26 3daq h ALA 285 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3daq h ALA 285 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3daq h ALA 285 CO 0.01 0.56 0.14 -0.92 0.00 0.00 0.00 179.25 179.04 3daq h TYR 286 N 0.96 0.32 -0.90 0.00 5.03 -0.82 -1.19 116.97 120.37 3daq h TYR 286 Ca 0.21 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 3daq h TYR 286 Cb 0.33 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 3daq h TYR 286 CO 0.02 0.24 0.56 -0.44 -1.32 0.00 0.00 178.16 177.22 3daq h ASP 287 N 0.30 1.06 -0.60 -2.11 3.32 -0.70 -1.20 116.42 116.49 3daq h ASP 287 Ca 0.09 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3daq h ASP 287 Cb 0.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3daq h ASP 287 CO -0.02 0.80 0.34 0.74 -1.72 0.00 0.00 179.24 179.39 3daq h THR 288 N 1.23 1.19 -0.30 0.35 2.02 -0.61 0.38 112.91 117.17 3daq h THR 288 Ca 0.32 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3daq h THR 288 Cb -0.08 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3daq h THR 288 CO -0.06 0.20 0.20 0.15 0.37 0.00 0.00 175.52 176.37 3daq h PHE 289 N 0.81 0.37 -0.56 3.16 3.57 -0.61 -1.76 116.94 121.92 3daq h PHE 289 Ca 0.21 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 3daq h PHE 289 Cb 0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3daq h PHE 289 CO -0.01 0.23 -0.09 0.87 -2.23 0.00 0.00 178.31 177.08 3daq h LYS 290 N 0.40 1.05 -0.64 1.11 1.79 -0.95 -2.64 116.57 116.69 3daq h LYS 290 Ca 0.11 -0.38 0.02 0.00 -2.18 0.00 0.00 60.65 58.23 3daq h LYS 290 Cb -0.04 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 3daq h LYS 290 CO -0.03 1.07 0.43 0.00 -1.08 0.00 0.00 179.45 179.84 3daq h ALA 291 N 0.94 1.60 0.00 3.86 0.00 -0.79 -2.89 119.26 121.98 3daq h ALA 291 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3daq h ALA 291 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3daq h ALA 291 CO 0.05 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3daq n GLY 292 N -1.44 -1.50 0.00 0.00 0.00 -0.67 -5.09 105.19 96.48 3daq n GLY 292 Ca 0.07 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.23 3daq n GLY 292 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50