#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f28 h ALA 4 N 0.00 0.85 -0.34 5.20 0.00 -1.95 0.04 119.26 123.06 1f28 h ALA 4 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1f28 h ALA 4 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1f28 h ALA 4 CO 0.00 0.65 0.22 0.93 0.00 0.00 0.00 179.25 181.04 1f28 h GLU 5 N 0.82 0.43 -0.10 0.00 5.08 -2.01 -1.31 114.58 117.50 1f28 h GLU 5 Ca 0.13 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1f28 h GLU 5 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1f28 h GLU 5 CO 0.05 0.28 -0.23 1.49 -1.00 0.00 0.00 179.01 179.60 1f28 h GLU 6 N 0.44 0.17 -0.20 2.33 4.81 -1.88 -2.23 114.58 118.02 1f28 h GLU 6 Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1f28 h GLU 6 Cb -0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1f28 h GLU 6 CO -0.04 0.40 0.07 0.37 -0.73 0.00 0.00 179.01 179.08 1f28 h GLN 7 N 0.16 0.28 -0.34 1.92 5.75 0.14 -2.02 115.11 120.99 1f28 h GLN 7 Ca 0.03 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1f28 h GLN 7 Cb 0.50 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.93 1f28 h GLN 7 CO 0.03 0.25 -0.10 1.96 -2.65 0.00 0.00 178.83 178.32 1f28 h GLN 8 N 0.28 -0.02 0.09 1.69 4.20 -0.78 0.57 115.11 121.14 1f28 h GLN 8 Ca 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1f28 h GLN 8 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1f28 h GLN 8 CO -0.01 -0.01 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.16 1f28 h TYR 9 N -0.02 -0.16 -0.84 2.96 5.03 -1.47 -0.64 116.97 121.82 1f28 h TYR 9 Ca 0.17 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1f28 h TYR 9 Cb 0.28 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 1f28 h TYR 9 CO -0.33 -0.10 0.55 -0.07 -1.32 0.00 0.00 178.16 176.89 1f28 h LEU 10 N -0.15 0.98 -1.01 2.82 3.38 -0.86 -0.33 115.31 120.13 1f28 h LEU 10 Ca -0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1f28 h LEU 10 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1f28 h LEU 10 CO -0.00 0.72 -0.42 0.78 0.09 0.00 0.00 178.44 179.60 1f28 h ASN 11 N 1.15 0.16 -0.30 -0.43 2.35 0.44 -1.81 115.58 117.14 1f28 h ASN 11 Ca 0.31 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 1f28 h ASN 11 Cb -0.12 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1f28 h ASN 11 CO -0.07 0.57 -0.44 0.25 -1.65 0.00 0.00 177.43 176.09 1f28 h LEU 12 N 0.13 0.90 -0.10 1.61 5.85 -0.02 -0.64 115.31 123.04 1f28 h LEU 12 Ca 0.01 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1f28 h LEU 12 Cb 0.80 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1f28 h LEU 12 CO 0.06 1.24 -0.03 0.58 -0.34 0.00 0.00 178.44 179.95 1f28 h VAL 13 N 0.60 0.88 -0.93 1.05 2.07 -0.82 -1.08 116.25 118.02 1f28 h VAL 13 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1f28 h VAL 13 Cb 1.04 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1f28 h VAL 13 CO 0.10 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.86 1f28 h GLN 14 N -0.01 1.19 -0.53 1.57 1.08 -1.27 -1.20 115.11 115.95 1f28 h GLN 14 Ca 0.05 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1f28 h GLN 14 Cb 0.09 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1f28 h GLN 14 CO -0.11 0.79 0.34 -0.92 -0.95 0.00 0.00 178.83 177.97 1f28 h TYR 15 N 1.23 0.68 -0.56 2.96 3.20 -0.53 -0.92 116.97 123.03 1f28 h TYR 15 Ca 0.35 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 1f28 h TYR 15 Cb -0.10 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1f28 h TYR 15 CO -0.01 0.45 -0.07 0.82 -1.64 0.00 0.00 178.16 177.70 1f28 h ILE 16 N 0.71 1.27 -0.16 1.81 2.04 -0.83 0.54 117.51 122.89 1f28 h ILE 16 Ca 0.19 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1f28 h ILE 16 Cb -0.05 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1f28 h ILE 16 CO -0.04 0.44 0.06 0.40 0.00 0.00 0.00 178.15 179.01 1f28 h ILE 17 N 0.92 0.97 0.00 -0.67 2.04 -0.97 0.11 117.51 119.91 1f28 h ILE 17 Ca 0.15 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1f28 h ILE 17 Cb 0.64 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1f28 h ILE 17 CO 0.04 0.03 -0.12 0.78 0.00 0.00 0.00 178.15 178.87 1f28 h ASN 18 N 0.14 0.00 0.00 1.72 2.35 -0.93 -3.39 115.58 115.47 1f28 h ASN 18 Ca 0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1f28 h ASN 18 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1f28 h ASN 18 CO -0.06 0.01 0.00 1.41 -1.65 0.00 0.00 177.43 177.13 1f28 n HIS 19 N -2.76 0.00 -1.91 1.19 8.25 0.19 -5.07 115.22 115.10 1f28 n HIS 19 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.15 1f28 n HIS 19 Cb 0.50 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.65 1f28 n HIS 19 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1f28 s GLY 20 N -0.01 2.64 0.29 -1.41 0.00 0.38 -4.96 107.32 104.25 1f28 s GLY 20 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 44.72 45.40 1f28 s GLY 20 CO 0.00 1.35 0.95 -0.54 0.00 0.00 0.00 173.10 174.86 1f28 s GLU 21 N -3.47 4.68 -0.44 2.90 2.02 0.95 -4.54 118.70 120.79 1f28 s GLU 21 Ca 0.76 1.42 -0.23 0.00 0.02 0.00 0.00 54.97 56.95 1f28 s GLU 21 Cb -0.29 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 30.96 1f28 s GLU 21 CO 0.35 0.36 0.77 0.34 0.02 0.00 0.00 175.26 177.11 1f28 s ASP 22 N -1.40 6.41 0.11 -0.19 3.68 -1.26 0.01 116.67 124.02 1f28 s ASP 22 Ca 0.46 -0.10 0.05 0.00 2.13 0.00 0.00 52.55 55.10 1f28 s ASP 22 Cb -0.22 -2.38 -0.04 0.00 -1.45 0.00 0.00 42.92 38.83 1f28 s ASP 22 CO 0.28 -0.89 -0.14 0.00 0.13 0.00 0.00 175.17 174.55 1f28 s ARG 23 N 3.24 0.97 0.16 4.34 1.70 -0.95 -5.02 118.95 123.39 1f28 s ARG 23 Ca 0.29 -1.19 -0.32 0.00 -0.47 0.00 0.00 55.73 54.05 1f28 s ARG 23 Cb -0.12 -0.84 -0.10 0.00 -0.57 0.00 0.00 34.95 33.31 1f28 s ARG 23 CO 0.22 0.16 1.63 -2.14 -1.08 0.00 0.00 175.30 174.09 1f28 s PRO 24 N -2.56 4.19 0.19 3.89 0.02 -1.26 -3.40 135.00 136.07 1f28 s PRO 24 Ca 0.07 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.58 1f28 s PRO 24 Cb -0.05 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1f28 s PRO 24 CO 0.02 -0.67 0.12 0.34 -0.33 0.00 0.00 177.00 176.48 1f28 s ASP 25 N 1.38 5.35 0.47 2.53 3.68 -1.20 -4.98 116.67 123.90 1f28 s ASP 25 Ca 0.72 -0.22 0.23 0.00 2.13 0.00 0.00 52.55 55.41 1f28 s ASP 25 Cb -0.45 -1.34 1.15 0.00 -1.45 0.00 0.00 42.92 40.83 1f28 s ASP 25 CO 0.32 0.05 1.95 0.08 0.13 0.00 0.00 175.17 177.70 1f28 h ARG 26 N 2.26 0.00 -0.54 4.34 0.11 -1.96 -1.94 114.38 116.65 1f28 h ARG 26 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1f28 h ARG 26 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1f28 h ARG 26 CO 0.62 0.21 0.00 0.25 0.10 0.00 0.00 179.97 181.14 1f28 n THR 27 N -3.70 0.81 0.00 0.08 -2.24 -1.26 -4.91 114.28 103.07 1f28 n THR 27 Ca -0.01 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1f28 n THR 27 Cb 0.32 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1f28 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f28 n GLY 28 N 0.72 1.27 3.63 3.38 0.00 -0.73 -4.95 105.19 108.50 1f28 n GLY 28 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1f28 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f28 s THR 29 N 0.00 2.28 0.42 2.61 2.01 -1.26 -4.67 115.64 117.03 1f28 s THR 29 Ca 0.00 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.10 1f28 s THR 29 Cb 0.00 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1f28 s THR 29 CO 0.00 -0.12 0.64 -0.83 -0.69 0.00 0.00 174.62 173.62 1f28 s GLY 30 N -2.92 1.52 -0.01 4.40 0.00 -1.26 -3.21 107.32 105.83 1f28 s GLY 30 Ca 0.66 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.22 1f28 s GLY 30 CO 0.60 -0.89 0.27 -0.51 0.00 0.00 0.00 173.10 172.56 1f28 s THR 31 N -2.49 0.06 -0.13 0.90 -4.23 -1.22 -1.21 115.64 107.32 1f28 s THR 31 Ca 0.46 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1f28 s THR 31 Cb -0.10 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.14 1f28 s THR 31 CO 0.37 -0.28 0.01 -0.76 -0.54 0.00 0.00 174.62 173.42 1f28 s LEU 32 N -1.31 3.57 0.02 4.79 1.43 0.61 -2.25 118.68 125.54 1f28 s LEU 32 Ca -0.14 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1f28 s LEU 32 Cb -0.06 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1f28 s LEU 32 CO 0.03 0.26 -0.03 -0.55 0.23 0.00 0.00 176.35 176.30 1f28 s SER 33 N -0.19 0.27 -0.02 2.29 0.15 0.10 -1.16 113.70 115.15 1f28 s SER 33 Ca 0.05 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1f28 s SER 33 Cb -0.12 0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1f28 s SER 33 CO 0.02 -0.18 -0.11 -0.69 1.20 0.00 0.00 173.24 173.48 1f28 s VAL 34 N -0.95 0.89 -0.15 4.45 1.01 0.23 -0.04 120.40 125.86 1f28 s VAL 34 Ca -0.10 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1f28 s VAL 34 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1f28 s VAL 34 CO -0.00 0.26 0.15 0.12 0.00 0.00 0.00 175.10 175.63 1f28 s PHE 35 N -0.09 3.53 -1.18 5.22 5.36 -1.26 -0.32 117.98 129.25 1f28 s PHE 35 Ca 0.01 0.48 -0.14 0.00 -0.96 0.00 0.00 56.93 56.33 1f28 s PHE 35 Cb -0.06 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1f28 s PHE 35 CO 0.00 0.56 0.76 0.00 -1.46 0.00 0.00 175.22 175.08 1f28 n ALA 36 N 2.59 -2.41 -1.54 11.12 0.00 -0.21 -4.99 120.51 125.08 1f28 n ALA 36 Ca -0.18 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 1f28 n ALA 36 Cb 0.54 -3.78 0.12 0.00 0.00 0.00 0.00 19.45 16.33 1f28 n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1f28 s PRO 37 N -5.81 1.45 0.28 0.00 0.04 -1.26 -4.95 135.00 124.74 1f28 s PRO 37 Ca 0.35 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 1f28 s PRO 37 Cb -0.11 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 1f28 s PRO 37 CO 0.84 -2.01 1.62 0.43 0.04 0.00 0.00 177.00 177.92 1f28 n SER 38 N -3.66 3.88 -4.62 6.66 7.64 -1.26 -4.66 113.62 117.60 1f28 n SER 38 Ca 0.07 1.13 -0.38 0.00 1.01 0.00 0.00 58.87 60.69 1f28 n SER 38 Cb 0.58 -1.59 0.05 0.00 -1.01 0.00 0.00 64.21 62.24 1f28 n SER 38 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1f28 n PRO 39 N 2.53 0.98 -3.47 1.43 -0.02 -1.26 -4.95 135.00 130.24 1f28 n PRO 39 Ca 0.10 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1f28 n PRO 39 Cb 0.36 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1f28 n PRO 39 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1f28 s LEU 40 N -1.87 4.42 -0.04 2.45 1.43 -0.37 -4.90 118.68 119.80 1f28 s LEU 40 Ca 0.74 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1f28 s LEU 40 Cb -0.43 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1f28 s LEU 40 CO 0.48 0.23 -0.13 -0.75 0.23 0.00 0.00 176.35 176.41 1f28 s LYS 41 N -1.49 1.53 -0.09 1.70 2.20 -1.26 -0.16 119.74 122.17 1f28 s LYS 41 Ca 0.30 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1f28 s LYS 41 Cb -0.16 -1.32 0.02 0.00 -1.51 0.00 0.00 37.83 34.86 1f28 s LYS 41 CO 0.16 0.14 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.17 1f28 s PHE 42 N 0.27 1.22 0.06 4.03 0.08 0.61 -4.91 117.98 119.34 1f28 s PHE 42 Ca -0.07 -0.52 -0.30 0.00 0.12 0.00 0.00 56.93 56.16 1f28 s PHE 42 Cb -0.12 -1.04 -0.05 0.00 -0.57 0.00 0.00 43.02 41.25 1f28 s PHE 42 CO 0.02 -0.39 0.99 0.45 -0.10 0.00 0.00 175.22 176.20 1f28 s SER 43 N 1.45 7.40 -0.10 1.36 0.15 -1.26 -0.37 113.70 122.33 1f28 s SER 43 Ca -0.01 1.76 0.17 0.00 0.70 0.00 0.00 55.95 58.57 1f28 s SER 43 Cb -0.13 -2.58 0.62 0.00 -1.71 0.00 0.00 66.02 62.21 1f28 s SER 43 CO -0.04 -0.19 1.53 0.18 1.20 0.00 0.00 173.24 175.92 1f28 n LEU 44 N 3.36 4.28 -4.80 3.45 7.99 0.29 -4.75 117.00 126.82 1f28 n LEU 44 Ca 0.04 -2.44 -0.33 0.00 -0.01 0.00 0.00 56.01 53.27 1f28 n LEU 44 Cb 0.50 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1f28 n LEU 44 CO 0.52 0.78 0.72 -0.13 -1.51 0.00 0.00 177.39 177.77 1f28 s ARG 45 N -1.82 3.42 -1.54 3.23 0.52 -1.25 -3.46 118.95 118.05 1f28 s ARG 45 Ca 0.45 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1f28 s ARG 45 Cb 0.29 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1f28 s ARG 45 CO 0.21 -0.73 0.00 0.09 0.02 0.00 0.00 175.30 174.89 1f28 n ASN 46 N -1.83 -5.19 0.00 0.23 3.02 -1.26 -1.93 115.26 108.30 1f28 n ASN 46 Ca 0.09 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1f28 n ASN 46 Cb 0.53 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1f28 n ASN 46 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1f28 n LYS 47 N -2.70 -1.45 -1.75 3.52 5.02 -1.22 -4.91 118.16 114.66 1f28 n LYS 47 Ca -0.21 0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1f28 n LYS 47 Cb 0.66 -4.51 -0.01 0.00 -0.02 0.00 0.00 35.03 31.15 1f28 n LYS 47 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1f28 n THR 48 N -2.22 1.67 -3.87 -0.18 -1.04 -0.81 -0.09 114.28 107.74 1f28 n THR 48 Ca 0.00 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.05 61.33 1f28 n THR 48 Cb 0.36 -1.88 -0.17 0.00 -1.82 0.00 0.00 70.33 66.82 1f28 n THR 48 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1f28 s PHE 49 N -0.75 1.28 -0.03 -1.42 5.36 -0.45 -4.52 117.98 117.46 1f28 s PHE 49 Ca 0.57 -0.61 -0.01 0.00 -0.96 0.00 0.00 56.93 55.92 1f28 s PHE 49 Cb -0.50 -1.13 -0.03 0.00 -0.34 0.00 0.00 43.02 41.02 1f28 s PHE 49 CO 0.59 -0.47 0.95 -0.35 -1.46 0.00 0.00 175.22 174.48 1f28 n PRO 50 N 4.99 0.29 -3.25 10.12 -0.05 -1.26 -3.76 135.00 142.08 1f28 n PRO 50 Ca -0.11 -0.21 -0.41 0.00 -0.05 0.00 0.00 63.50 62.72 1f28 n PRO 50 Cb 0.50 -1.64 -0.08 0.00 -0.05 0.00 0.00 33.50 32.23 1f28 n PRO 50 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 1f28 s LEU 51 N 0.00 4.33 0.36 1.53 2.96 -1.26 -4.48 118.68 122.12 1f28 s LEU 51 Ca 0.09 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.76 1f28 s LEU 51 Cb 0.04 -2.57 -0.13 0.00 0.50 0.00 0.00 46.19 44.02 1f28 s LEU 51 CO -0.00 -0.45 0.64 0.18 -1.32 0.00 0.00 176.35 175.40 1f28 n LEU 52 N 5.70 0.21 -0.07 -0.68 4.32 -1.26 -4.71 117.00 120.52 1f28 n LEU 52 Ca -0.05 1.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.87 1f28 n LEU 52 Cb 0.49 -1.13 -0.10 0.00 -1.62 0.00 0.00 43.42 41.06 1f28 n LEU 52 CO 0.44 -2.57 -0.93 0.35 -1.22 0.00 0.00 177.39 173.46 1f28 n THR 53 N -0.51 0.89 0.82 -5.08 -2.24 -1.26 -4.40 114.28 102.50 1f28 n THR 53 Ca 0.12 -0.53 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 1f28 n THR 53 Cb 0.36 -0.69 0.39 0.00 -2.10 0.00 0.00 70.33 68.30 1f28 n THR 53 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1f28 n THR 54 N -2.51 0.08 -3.68 4.28 -2.24 -1.26 0.19 114.28 109.13 1f28 n THR 54 Ca -0.22 0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1f28 n THR 54 Cb 0.91 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 1f28 n THR 54 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1f28 s LYS 55 N -2.07 0.65 0.11 -0.78 2.20 -1.26 -4.59 119.74 113.99 1f28 s LYS 55 Ca 0.19 0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 56.27 1f28 s LYS 55 Cb 0.09 0.31 -0.08 0.00 -1.51 0.00 0.00 37.83 36.64 1f28 s LYS 55 CO 0.16 -0.08 1.48 0.50 -0.36 0.00 0.00 175.35 177.06 1f28 s ARG 56 N 0.31 4.27 -0.24 4.03 6.06 -1.18 -4.72 118.95 127.48 1f28 s ARG 56 Ca -0.00 2.19 0.01 0.00 -2.50 0.00 0.00 55.73 55.43 1f28 s ARG 56 Cb -0.04 -3.31 0.04 0.00 0.06 0.00 0.00 34.95 31.70 1f28 s ARG 56 CO 0.00 -0.55 -0.12 0.08 -2.50 0.00 0.00 175.30 172.22 1f28 s VAL 57 N 1.49 2.38 -0.90 7.11 1.01 -1.26 -4.82 120.40 125.41 1f28 s VAL 57 Ca 0.68 -1.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1f28 s VAL 57 Cb -0.39 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.64 1f28 s VAL 57 CO 0.30 0.19 2.17 0.12 0.00 0.00 0.00 175.10 177.89 1f28 s PHE 58 N 1.23 1.44 0.31 5.22 5.99 -1.26 -4.79 117.98 126.12 1f28 s PHE 58 Ca -0.02 1.45 0.04 0.00 0.00 0.00 0.00 56.93 58.40 1f28 s PHE 58 Cb -0.17 -3.67 0.52 0.00 0.00 0.00 0.00 43.02 39.70 1f28 s PHE 58 CO -0.07 -1.47 1.80 0.97 -0.00 0.00 0.00 175.22 176.45 1f28 h ILE 59 N 7.28 1.23 -0.55 3.12 6.09 -2.00 -3.16 117.51 129.51 1f28 h ILE 59 Ca 0.05 -1.02 0.11 0.00 -1.37 0.00 0.00 64.86 62.63 1f28 h ILE 59 Cb 1.00 1.16 -0.09 0.00 0.47 0.00 0.00 36.82 39.36 1f28 h ILE 59 CO 1.09 0.33 0.05 -0.09 -3.07 0.00 0.00 178.15 176.47 1f28 h ARG 60 N 0.44 0.17 -0.04 2.19 2.43 -2.00 -0.54 114.38 117.03 1f28 h ARG 60 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1f28 h ARG 60 Cb 0.50 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1f28 h ARG 60 CO 0.03 0.11 -0.33 0.78 -1.51 0.00 0.00 179.97 179.06 1f28 h GLY 61 N 0.18 0.09 0.79 2.80 0.00 -1.96 -1.09 103.07 103.87 1f28 h GLY 61 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1f28 h GLY 61 CO -0.42 0.06 0.02 -2.08 0.00 0.00 0.00 176.54 174.12 1f28 h VAL 62 N 0.07 1.22 -0.61 4.60 2.07 -1.20 -1.03 116.25 121.38 1f28 h VAL 62 Ca 0.01 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1f28 h VAL 62 Cb 0.62 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1f28 h VAL 62 CO 0.05 0.20 0.23 0.40 0.02 0.00 0.00 177.57 178.46 1f28 h ILE 63 N -0.06 1.23 -0.66 4.57 2.04 -1.01 -1.81 117.51 121.82 1f28 h ILE 63 Ca 0.03 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1f28 h ILE 63 Cb 0.29 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1f28 h ILE 63 CO 0.00 0.29 0.35 -0.08 0.00 0.00 0.00 178.15 178.71 1f28 h GLU 64 N 0.85 0.92 -0.23 2.37 4.57 -1.09 0.61 114.58 122.59 1f28 h GLU 64 Ca 0.20 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1f28 h GLU 64 Cb 0.22 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1f28 h GLU 64 CO -0.01 0.70 0.08 1.49 -1.18 0.00 0.00 179.01 180.09 1f28 h GLU 65 N 0.90 0.34 -0.80 1.92 4.81 -1.04 -0.95 114.58 119.77 1f28 h GLU 65 Ca 0.23 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1f28 h GLU 65 Cb 0.06 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1f28 h GLU 65 CO -0.04 0.41 0.53 1.25 -0.73 0.00 0.00 179.01 180.43 1f28 h LEU 66 N 0.20 0.91 -1.11 1.64 6.46 -0.99 0.65 115.31 123.08 1f28 h LEU 66 Ca 0.07 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1f28 h LEU 66 Cb 0.20 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1f28 h LEU 66 CO -0.00 0.66 0.05 -0.07 -0.62 0.00 0.00 178.44 178.45 1f28 h LEU 67 N 1.08 0.63 -0.36 2.25 4.07 -0.65 -0.47 115.31 121.86 1f28 h LEU 67 Ca 0.29 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 58.06 1f28 h LEU 67 Cb -0.12 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1f28 h LEU 67 CO -0.06 0.67 -0.04 -0.25 -1.08 0.00 0.00 178.44 177.67 1f28 h TRP 68 N 0.65 0.74 -0.30 1.13 7.01 -0.39 -2.22 115.95 122.58 1f28 h TRP 68 Ca 0.14 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1f28 h TRP 68 Cb 0.33 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1f28 h TRP 68 CO 0.02 0.80 0.18 0.74 -2.79 0.00 0.00 178.44 177.38 1f28 h PHE 69 N 0.48 0.40 -0.22 2.65 0.04 -0.48 -2.39 116.94 117.41 1f28 h PHE 69 Ca 0.10 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.89 1f28 h PHE 69 Cb 0.53 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1f28 h PHE 69 CO 0.04 0.30 0.15 0.82 -0.60 0.00 0.00 178.31 179.03 1f28 h ILE 70 N 0.38 0.98 0.00 -0.55 2.04 -0.93 -0.04 117.51 119.39 1f28 h ILE 70 Ca 0.11 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1f28 h ILE 70 Cb 0.03 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1f28 h ILE 70 CO -0.02 0.03 0.00 0.54 0.00 0.00 0.00 178.15 178.70 1f28 n ARG 71 N -4.50 0.28 -1.02 2.37 1.74 -0.85 -4.88 116.66 109.80 1f28 n ARG 71 Ca 0.01 0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.10 1f28 n ARG 71 Cb 0.17 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1f28 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f28 n GLY 72 N 1.25 0.47 3.82 -0.13 0.00 -0.03 -5.02 105.19 105.55 1f28 n GLY 72 Ca 0.12 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1f28 n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f28 s GLU 73 N -1.40 3.86 -0.00 1.61 2.02 -0.97 -3.90 118.70 119.92 1f28 s GLU 73 Ca 0.00 1.14 0.00 0.00 0.02 0.00 0.00 54.97 56.13 1f28 s GLU 73 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1f28 s GLU 73 CO 0.00 -0.35 0.54 0.25 0.02 0.00 0.00 175.26 175.71 1f28 n THR 74 N -1.30 0.01 -3.25 3.63 -2.24 -1.26 -4.40 114.28 105.48 1f28 n THR 74 Ca 0.08 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1f28 n THR 74 Cb 0.53 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1f28 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f28 s ASP 75 N -0.07 6.31 0.44 3.42 3.68 -1.26 -1.92 116.67 127.27 1f28 s ASP 75 Ca 0.00 -0.07 0.30 0.00 2.13 0.00 0.00 52.55 54.91 1f28 s ASP 75 Cb 0.00 -2.27 1.23 0.00 -1.45 0.00 0.00 42.92 40.43 1f28 s ASP 75 CO 0.00 -0.49 1.88 0.77 0.13 0.00 0.00 175.17 177.46 1f28 h SER 76 N 8.48 0.00 0.38 -0.34 4.64 -1.40 -2.71 113.55 122.60 1f28 h SER 76 Ca -0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1f28 h SER 76 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1f28 h SER 76 CO 0.77 0.00 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.52 1f28 h LEU 77 N 0.00 0.00 -1.59 5.97 3.38 -1.92 -0.07 115.31 121.08 1f28 h LEU 77 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1f28 h LEU 77 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1f28 h LEU 77 CO 0.00 0.15 -0.19 0.11 0.09 0.00 0.00 178.44 178.59 1f28 h LYS 78 N 0.00 0.02 0.16 1.13 6.56 -1.88 0.22 116.57 122.78 1f28 h LYS 78 Ca -0.00 -0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.23 1f28 h LYS 78 Cb 0.37 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1f28 h LYS 78 CO 0.02 0.21 -1.81 -0.07 -2.06 0.00 0.00 179.45 175.74 1f28 h LEU 79 N 0.01 0.52 -0.93 2.94 4.07 -1.41 -3.34 115.31 117.18 1f28 h LEU 79 Ca 0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.03 1f28 h LEU 79 Cb 0.35 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 1f28 h LEU 79 CO 0.03 1.80 0.59 -0.09 -1.08 0.00 0.00 178.44 179.69 1f28 h ARG 80 N 0.05 1.24 -0.00 1.13 2.43 -0.78 0.40 114.38 118.85 1f28 h ARG 80 Ca -0.37 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1f28 h ARG 80 Cb 2.04 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 31.32 1f28 h ARG 80 CO 0.13 0.85 0.16 0.93 -1.51 0.00 0.00 179.97 180.53 1f28 h GLU 81 N 1.27 0.00 -0.40 0.20 5.08 -0.67 0.18 114.58 120.24 1f28 h GLU 81 Ca 0.34 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1f28 h GLU 81 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1f28 h GLU 81 CO -0.07 0.00 0.03 1.63 -1.00 0.00 0.00 179.01 179.60 1f28 n LYS 82 N -2.99 3.38 -2.48 2.33 5.02 0.02 -4.95 118.16 118.48 1f28 n LYS 82 Ca -0.02 -2.98 -0.15 0.00 -2.02 0.00 0.00 58.31 53.14 1f28 n LYS 82 Cb 0.22 -1.99 0.01 0.00 -0.02 0.00 0.00 35.03 33.25 1f28 n LYS 82 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1f28 n ASN 83 N -0.27 -4.57 -4.15 4.39 5.15 0.62 -4.99 115.26 111.44 1f28 n ASN 83 Ca 0.26 -0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.81 1f28 n ASN 83 Cb 1.04 -3.60 -0.14 0.00 -0.53 0.00 0.00 39.78 36.54 1f28 n ASN 83 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f28 s ILE 84 N -2.83 2.68 -1.21 -1.44 1.01 -0.55 -5.00 121.20 113.86 1f28 s ILE 84 Ca 0.09 -1.30 0.12 0.00 0.00 0.00 0.00 60.65 59.56 1f28 s ILE 84 Cb -0.04 -2.46 0.25 0.00 0.01 0.00 0.00 42.46 40.22 1f28 s ILE 84 CO 0.11 0.06 1.13 1.41 0.00 0.00 0.00 174.94 177.65 1f28 n HIS 85 N 4.59 0.32 -0.05 3.97 8.25 -1.26 -2.73 115.22 128.31 1f28 n HIS 85 Ca -0.15 -0.31 0.17 0.00 -0.26 0.00 0.00 57.72 57.17 1f28 n HIS 85 Cb 0.45 -0.02 0.61 0.00 1.12 0.00 0.00 29.99 32.15 1f28 n HIS 85 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1f28 h ILE 86 N 2.28 0.79 -0.01 1.59 3.07 -1.97 -1.74 117.51 121.52 1f28 h ILE 86 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1f28 h ILE 86 Cb 0.66 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1f28 h ILE 86 CO 0.00 0.03 -0.49 0.79 -1.05 0.00 0.00 178.15 177.43 1f28 n TRP 87 N -4.42 0.00 -0.32 0.16 7.02 -1.26 -4.44 117.44 114.18 1f28 n TRP 87 Ca 0.10 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.60 1f28 n TRP 87 Cb 0.53 -0.07 0.16 0.00 -2.42 0.00 0.00 31.31 29.51 1f28 n TRP 87 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1f28 h ASP 88 N 1.32 0.83 -0.16 -0.99 3.45 -1.63 -1.85 116.42 117.38 1f28 h ASP 88 Ca 0.00 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1f28 h ASP 88 Cb 0.60 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1f28 h ASP 88 CO 0.00 0.51 0.01 0.00 -1.57 0.00 0.00 179.24 178.19 1f28 h ALA 89 N 1.43 0.22 0.00 3.45 0.00 -1.78 -1.88 119.26 120.70 1f28 h ALA 89 Ca 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f28 h ALA 89 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f28 h ALA 89 CO -0.20 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.04 1f28 n ASN 90 N -4.76 0.60 -0.93 0.00 4.13 -1.13 -2.46 115.26 110.70 1f28 n ASN 90 Ca -0.05 0.62 0.11 0.00 1.68 0.00 0.00 54.58 56.94 1f28 n ASN 90 Cb 0.20 -0.76 0.11 0.00 -1.54 0.00 0.00 39.78 37.79 1f28 n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f28 n GLY 91 N 0.35 0.97 3.78 7.41 0.00 -0.71 -4.56 105.19 112.43 1f28 n GLY 91 Ca 0.03 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1f28 n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f28 s SER 92 N -1.82 6.02 0.21 1.61 1.04 -0.73 0.16 113.70 120.19 1f28 s SER 92 Ca 0.28 2.10 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 1f28 s SER 92 Cb 0.19 -2.58 0.27 0.00 0.10 0.00 0.00 66.02 64.01 1f28 s SER 92 CO 0.28 -1.01 1.68 -0.09 0.98 0.00 0.00 173.24 175.08 1f28 h ARG 93 N 1.47 0.14 -0.14 4.02 9.65 -1.91 0.13 114.38 127.74 1f28 h ARG 93 Ca -0.50 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1f28 h ARG 93 Cb 1.24 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1f28 h ARG 93 CO 0.58 0.09 0.04 1.49 2.80 0.00 0.00 179.97 184.98 1f28 h GLU 94 N 0.15 0.11 -0.14 0.20 4.81 -1.93 -1.20 114.58 116.57 1f28 h GLU 94 Ca 0.31 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1f28 h GLU 94 Cb 0.48 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1f28 h GLU 94 CO -0.48 0.07 0.06 -0.92 -0.73 0.00 0.00 179.01 177.02 1f28 h TYR 95 N 0.11 0.21 -0.64 0.92 3.20 -1.58 -2.18 116.97 117.02 1f28 h TYR 95 Ca 0.06 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1f28 h TYR 95 Cb 0.04 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 1f28 h TYR 95 CO -0.11 0.27 0.26 -0.07 -1.64 0.00 0.00 178.16 176.87 1f28 h LEU 96 N 0.09 0.29 -1.14 2.82 4.07 -0.62 -1.20 115.31 119.63 1f28 h LEU 96 Ca 0.05 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 1f28 h LEU 96 Cb 0.15 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1f28 h LEU 96 CO -0.01 0.17 0.01 0.44 -1.08 0.00 0.00 178.44 177.97 1f28 h ASP 97 N 0.46 0.58 0.38 -0.43 3.32 -1.03 0.71 116.42 120.41 1f28 h ASP 97 Ca 0.32 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1f28 h ASP 97 Cb 0.38 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1f28 h ASP 97 CO -0.30 0.64 0.00 0.77 -1.72 0.00 0.00 179.24 178.64 1f28 h SER 98 N 0.58 0.00 -0.23 6.45 4.64 -0.57 -0.87 113.55 123.55 1f28 h SER 98 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1f28 h SER 98 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1f28 h SER 98 CO 0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1f28 n ILE 99 N -2.78 1.97 -0.94 0.95 -5.35 -0.89 -4.96 119.36 107.35 1f28 n ILE 99 Ca -0.01 -1.74 0.00 0.00 -0.27 0.00 0.00 62.75 60.73 1f28 n ILE 99 Cb 0.15 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1f28 n ILE 99 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f28 n GLY 100 N -0.44 0.52 2.64 3.28 0.00 -0.33 -4.96 105.19 105.90 1f28 n GLY 100 Ca 0.18 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1f28 n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f28 n LEU 101 N 0.00 7.45 0.23 0.99 4.77 0.19 -4.73 117.00 125.90 1f28 n LEU 101 Ca 0.00 -5.17 0.16 0.00 -0.03 0.00 0.00 56.01 50.97 1f28 n LEU 101 Cb 0.00 -1.26 0.70 0.00 -2.33 0.00 0.00 43.42 40.53 1f28 n LEU 101 CO 0.00 1.98 0.96 0.71 -1.33 0.00 0.00 177.39 179.71 1f28 h THR 102 N 2.55 0.00 -0.36 -5.08 1.35 -1.86 -2.94 112.91 106.57 1f28 h THR 102 Ca 0.55 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1f28 h THR 102 Cb 0.36 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1f28 h THR 102 CO 1.32 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.88 1f28 n LYS 103 N -2.73 2.92 -3.18 4.72 5.02 -1.26 -4.95 118.16 118.70 1f28 n LYS 103 Ca 0.00 -2.26 -0.39 0.00 -2.02 0.00 0.00 58.31 53.65 1f28 n LYS 103 Cb 0.21 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 1f28 n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1f28 s ARG 104 N -1.36 4.39 0.55 1.97 6.06 -1.11 -5.04 118.95 124.41 1f28 s ARG 104 Ca 0.29 0.66 -0.20 0.00 -2.50 0.00 0.00 55.73 53.98 1f28 s ARG 104 Cb 0.18 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.69 1f28 s ARG 104 CO 0.16 0.10 1.23 -0.65 -2.50 0.00 0.00 175.30 173.64 1f28 s GLN 105 N 0.74 3.19 0.35 5.12 -1.52 -1.26 -4.91 119.66 121.37 1f28 s GLN 105 Ca 0.32 1.91 -0.29 0.00 -1.95 0.00 0.00 55.36 55.35 1f28 s GLN 105 Cb -0.16 -2.12 -0.11 0.00 -0.22 0.00 0.00 33.01 30.40 1f28 s GLN 105 CO 0.14 -1.05 1.51 -1.91 -0.25 0.00 0.00 175.29 173.73 1f28 n GLU 106 N -1.20 2.66 0.00 2.91 2.13 -1.26 -1.69 120.64 124.19 1f28 n GLU 106 Ca 0.11 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.87 1f28 n GLU 106 Cb 0.48 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.52 1f28 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1f28 n GLY 107 N 0.93 3.05 3.54 8.31 0.00 0.12 -4.94 105.19 116.21 1f28 n GLY 107 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1f28 n GLY 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f28 s ASP 108 N -1.22 6.40 0.00 1.61 -1.08 -0.68 -0.91 116.67 120.78 1f28 s ASP 108 Ca 0.00 -1.19 0.14 0.00 -0.52 0.00 0.00 52.55 50.98 1f28 s ASP 108 Cb 0.00 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.59 1f28 s ASP 108 CO 0.00 -1.56 1.38 0.18 0.52 0.00 0.00 175.17 175.69 1f28 n LEU 109 N 8.77 0.00 0.00 -1.34 4.77 -0.81 -4.85 117.00 123.55 1f28 n LEU 109 Ca 0.22 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1f28 n LEU 109 Cb 0.50 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1f28 n LEU 109 CO 0.66 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1f28 n GLY 110 N -0.11 -1.86 2.68 -0.72 0.00 -1.26 -0.85 105.19 103.07 1f28 n GLY 110 Ca 0.06 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1f28 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f28 n PRO 111 N 0.00 3.12 -0.22 1.61 -0.04 -1.26 -4.82 135.00 133.40 1f28 n PRO 111 Ca 0.00 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.77 1f28 n PRO 111 Cb 0.00 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 1f28 n PRO 111 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1f28 n ILE 112 N 4.56 0.00 -0.02 0.52 -5.35 -1.26 -4.59 119.36 113.21 1f28 n ILE 112 Ca 0.55 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 63.02 1f28 n ILE 112 Cb 0.36 -1.51 -0.01 0.00 -1.74 0.00 0.00 39.64 36.74 1f28 n ILE 112 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1f28 n TYR 113 N -0.67 -0.03 -0.20 4.28 4.01 -1.26 -1.55 117.16 121.73 1f28 n TYR 113 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1f28 n TYR 113 Cb 0.00 -0.26 0.11 0.00 -0.31 0.00 0.00 39.34 38.88 1f28 n TYR 113 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1f28 h GLY 114 N 0.00 0.83 1.09 2.72 0.00 -1.77 0.10 103.07 106.04 1f28 h GLY 114 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1f28 h GLY 114 CO -0.06 -0.06 0.15 -2.75 0.00 0.00 0.00 176.54 173.83 1f28 h PHE 115 N 0.35 1.18 -0.28 5.60 3.04 -1.40 -2.26 116.94 123.17 1f28 h PHE 115 Ca 0.31 -0.15 -0.17 0.00 3.98 0.00 0.00 57.97 61.95 1f28 h PHE 115 Cb 0.42 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 1f28 h PHE 115 CO -0.20 0.97 -0.49 1.96 -2.02 0.00 0.00 178.31 178.53 1f28 h GLN 116 N 1.06 0.83 -0.98 1.11 1.08 -0.64 0.40 115.11 117.97 1f28 h GLN 116 Ca 0.22 -0.51 0.05 0.00 -1.45 0.00 0.00 58.65 56.95 1f28 h GLN 116 Cb 0.39 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.82 1f28 h GLN 116 CO 0.01 1.15 0.63 -1.49 -0.95 0.00 0.00 178.83 178.17 1f28 h TRP 117 N 0.59 1.18 0.00 2.96 4.06 -0.70 -2.25 115.95 121.80 1f28 h TRP 117 Ca 0.02 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 1f28 h TRP 117 Cb 1.09 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1f28 h TRP 117 CO 0.08 0.66 -1.97 0.54 -3.56 0.00 0.00 178.44 174.18 1f28 n ARG 118 N -4.49 0.66 -2.58 0.49 5.12 -0.86 -1.22 116.66 113.78 1f28 n ARG 118 Ca 0.14 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1f28 n ARG 118 Cb 0.13 -1.55 0.05 0.00 -1.16 0.00 0.00 32.46 29.92 1f28 n ARG 118 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1f28 n HIS 119 N -2.39 0.83 -1.65 -1.55 8.25 0.14 -3.35 115.22 115.50 1f28 n HIS 119 Ca -0.09 -1.82 -0.55 0.00 -0.26 0.00 0.00 57.72 55.01 1f28 n HIS 119 Cb 0.67 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.62 1f28 n HIS 119 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1f28 n PHE 120 N -0.46 1.80 0.00 4.41 -0.00 -0.79 -0.85 117.46 121.58 1f28 n PHE 120 Ca 0.05 0.57 0.00 0.00 -0.00 0.00 0.00 57.45 58.07 1f28 n PHE 120 Cb 0.86 -2.40 0.00 0.00 -0.00 0.00 0.00 39.48 37.94 1f28 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1f28 n GLY 121 N 3.40 2.40 3.76 7.13 0.00 -1.26 -0.93 105.19 119.68 1f28 n GLY 121 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1f28 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f28 s ALA 122 N -2.62 2.43 -0.31 4.61 0.00 -0.03 -4.82 121.76 121.02 1f28 s ALA 122 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1f28 s ALA 122 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1f28 s ALA 122 CO 0.00 -1.33 1.11 -2.00 0.00 0.00 0.00 175.76 173.54 1f28 s GLU 123 N -3.88 4.06 0.19 0.00 2.12 -1.26 -5.00 118.70 114.93 1f28 s GLU 123 Ca 0.70 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.86 1f28 s GLU 123 Cb -0.24 -3.75 -0.08 0.00 0.26 0.00 0.00 34.13 30.32 1f28 s GLU 123 CO 0.40 -0.92 1.14 -0.47 -0.54 0.00 0.00 175.26 174.87 1f28 s TYR 124 N 3.73 3.53 0.00 5.30 5.04 -1.26 -4.95 117.35 128.73 1f28 s TYR 124 Ca 0.47 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.64 1f28 s TYR 124 Cb -0.13 -3.33 -0.00 0.00 0.35 0.00 0.00 41.96 38.84 1f28 s TYR 124 CO 0.16 -0.82 -0.02 -0.89 -1.34 0.00 0.00 175.55 172.64 1f28 n ILE 125 N 2.28 0.24 -3.86 3.14 5.41 -1.26 -5.10 119.36 120.21 1f28 n ILE 125 Ca 0.03 0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.87 1f28 n ILE 125 Cb 0.45 -1.29 0.01 0.00 -0.71 0.00 0.00 39.64 38.11 1f28 n ILE 125 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1f28 s ASP 126 N -4.91 0.17 -0.02 4.38 1.47 -1.26 -5.04 116.67 111.46 1f28 s ASP 126 Ca -0.02 -1.19 0.04 0.00 1.18 0.00 0.00 52.55 52.56 1f28 s ASP 126 Cb 0.00 0.81 0.15 0.00 -0.34 0.00 0.00 42.92 43.54 1f28 s ASP 126 CO 0.03 -1.60 0.97 0.00 0.68 0.00 0.00 175.17 175.24 1f28 n LYS 128 N 0.01 1.79 -3.39 0.00 5.02 -1.26 -4.61 118.16 115.71 1f28 n LYS 128 Ca 0.05 -0.45 -0.37 0.00 -2.02 0.00 0.00 58.31 55.53 1f28 n LYS 128 Cb 0.25 -0.91 -0.06 0.00 -0.02 0.00 0.00 35.03 34.29 1f28 n LYS 128 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1f28 s THR 129 N -0.63 4.89 -0.51 -0.18 -1.32 -1.16 -5.01 115.64 111.72 1f28 s THR 129 Ca 0.03 0.88 -0.27 0.00 -1.21 0.00 0.00 61.69 61.12 1f28 s THR 129 Cb 0.03 -3.76 0.03 0.00 -1.51 0.00 0.00 72.50 67.29 1f28 s THR 129 CO 0.07 0.40 1.09 0.21 -2.21 0.00 0.00 174.62 174.17 1f28 s ASN 130 N -1.44 6.51 -0.02 8.08 3.84 -1.26 -4.91 114.94 125.74 1f28 s ASN 130 Ca 0.32 0.19 0.13 0.00 0.21 0.00 0.00 52.86 53.71 1f28 s ASN 130 Cb -0.16 -2.52 0.42 0.00 -0.55 0.00 0.00 41.25 38.44 1f28 s ASN 130 CO 0.18 -1.28 1.32 -1.22 -2.79 0.00 0.00 177.10 173.31 1f28 n TYR 131 N 7.84 0.72 -1.58 0.43 4.01 -1.26 -4.98 117.16 122.33 1f28 n TYR 131 Ca 0.08 -0.33 -0.51 0.00 -0.16 0.00 0.00 57.90 56.99 1f28 n TYR 131 Cb 0.49 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.41 1f28 n TYR 131 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1f28 n ILE 132 N 0.76 0.39 -0.30 -0.72 3.06 -1.26 -0.78 119.36 120.51 1f28 n ILE 132 Ca 0.15 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.31 1f28 n ILE 132 Cb 0.46 -0.82 0.00 0.00 0.54 0.00 0.00 39.64 39.81 1f28 n ILE 132 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1f28 n GLY 133 N 2.30 2.07 3.89 4.50 0.00 -1.26 -5.03 105.19 111.65 1f28 n GLY 133 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1f28 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f28 s GLN 134 N -0.12 3.43 0.66 1.61 -0.21 0.04 -4.99 119.66 120.09 1f28 s GLN 134 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.17 1f28 s GLN 134 Cb 0.00 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.86 1f28 s GLN 134 CO 0.00 0.74 0.00 0.41 -2.12 0.00 0.00 175.29 174.32 1f28 n GLY 135 N 1.60 -1.90 3.66 3.09 0.00 -1.26 -4.42 105.19 105.96 1f28 n GLY 135 Ca -0.17 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1f28 n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f28 s VAL 136 N -0.93 4.75 -1.01 1.61 -7.23 -0.11 -4.74 120.40 112.74 1f28 s VAL 136 Ca 0.00 -0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.92 1f28 s VAL 136 Cb 0.00 -3.11 0.10 0.00 0.56 0.00 0.00 36.38 33.93 1f28 s VAL 136 CO 0.00 0.50 1.32 -0.62 -0.31 0.00 0.00 175.10 175.99 1f28 s ASP 137 N 0.04 6.63 0.22 4.85 3.68 -1.21 -1.88 116.67 128.99 1f28 s ASP 137 Ca 0.05 -1.93 -0.09 0.00 2.13 0.00 0.00 52.55 52.71 1f28 s ASP 137 Cb -0.12 -2.48 0.17 0.00 -1.45 0.00 0.00 42.92 39.05 1f28 s ASP 137 CO 0.01 -1.21 1.88 1.56 0.13 0.00 0.00 175.17 177.54 1f28 h GLN 138 N 8.97 1.07 -0.38 4.34 4.20 -1.42 -1.92 115.11 129.98 1f28 h GLN 138 Ca 0.21 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1f28 h GLN 138 Cb 1.00 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1f28 h GLN 138 CO 1.27 0.72 0.16 1.25 -0.67 0.00 0.00 178.83 181.56 1f28 h LEU 139 N 1.09 0.51 -0.43 1.46 5.85 -1.87 0.22 115.31 122.14 1f28 h LEU 139 Ca 0.29 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1f28 h LEU 139 Cb -0.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1f28 h LEU 139 CO -0.06 0.52 0.05 0.00 -0.34 0.00 0.00 178.44 178.61 1f28 h ALA 140 N 1.01 0.57 -0.76 1.25 0.00 -1.86 -1.92 119.26 117.55 1f28 h ALA 140 Ca 0.13 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1f28 h ALA 140 Cb 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1f28 h ALA 140 CO -0.01 0.32 0.46 -0.91 0.00 0.00 0.00 179.25 179.11 1f28 h ASN 141 N 0.58 0.73 -0.12 0.00 2.35 -1.15 -0.20 115.58 117.78 1f28 h ASN 141 Ca 0.13 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1f28 h ASN 141 Cb 0.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1f28 h ASN 141 CO 0.01 0.48 0.06 0.40 -1.65 0.00 0.00 177.43 176.73 1f28 h ILE 142 N 0.87 1.12 -0.04 2.81 2.04 -0.64 0.28 117.51 123.94 1f28 h ILE 142 Ca 0.33 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1f28 h ILE 142 Cb 0.13 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1f28 h ILE 142 CO -0.15 0.11 -0.17 0.40 0.00 0.00 0.00 178.15 178.33 1f28 h ILE 143 N 0.06 0.57 -0.86 -0.67 1.08 -0.88 0.09 117.51 116.90 1f28 h ILE 143 Ca 0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.57 1f28 h ILE 143 Cb 0.12 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 34.38 1f28 h ILE 143 CO -0.00 0.00 0.54 -0.61 -0.69 0.00 0.00 178.15 177.38 1f28 h GLN 144 N -0.26 0.96 -0.37 2.37 5.75 -0.89 -2.09 115.11 120.56 1f28 h GLN 144 Ca 0.07 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 1f28 h GLN 144 Cb 0.35 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1f28 h GLN 144 CO -0.19 0.63 -0.11 0.87 -2.65 0.00 0.00 178.83 177.38 1f28 h LYS 145 N 0.98 0.74 -0.74 1.69 1.57 -0.55 -1.30 116.57 118.96 1f28 h LYS 145 Ca 0.37 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1f28 h LYS 145 Cb 0.16 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1f28 h LYS 145 CO -0.17 0.89 0.41 0.82 -0.57 0.00 0.00 179.45 180.83 1f28 h ILE 146 N 0.53 0.92 0.00 1.86 2.04 -0.51 0.46 117.51 122.81 1f28 h ILE 146 Ca 0.09 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 1f28 h ILE 146 Cb 0.64 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1f28 h ILE 146 CO 0.04 0.13 -0.56 0.03 0.00 0.00 0.00 178.15 177.79 1f28 h ARG 147 N 0.71 0.00 0.03 2.37 3.08 -1.27 -3.09 114.38 116.21 1f28 h ARG 147 Ca 0.35 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.08 1f28 h ARG 147 Cb 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1f28 h ARG 147 CO -0.23 0.56 -1.76 2.41 -1.07 0.00 0.00 179.97 179.88 1f28 n THR 148 N -3.72 1.58 -3.22 2.04 -1.04 -0.50 -4.79 114.28 104.63 1f28 n THR 148 Ca -0.01 -0.27 -0.22 0.00 -2.04 0.00 0.00 64.05 61.51 1f28 n THR 148 Cb 0.59 -1.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.13 1f28 n THR 148 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1f28 n SER 149 N -4.11 -0.88 0.32 8.00 7.64 0.15 -5.02 113.62 119.71 1f28 n SER 149 Ca -0.38 -2.58 0.19 0.00 1.01 0.00 0.00 58.87 57.12 1f28 n SER 149 Cb 0.82 -0.12 1.00 0.00 -1.01 0.00 0.00 64.21 64.91 1f28 n SER 149 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1f28 h PRO 150 N 5.05 0.00 -0.40 1.43 0.13 -1.48 -1.31 132.00 135.42 1f28 h PRO 150 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1f28 h PRO 150 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1f28 h PRO 150 CO 0.34 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.77 1f28 n TYR 151 N -3.13 0.53 -1.71 1.56 0.53 -1.26 -4.04 117.16 109.64 1f28 n TYR 151 Ca -0.02 -0.27 -0.41 0.00 -1.02 0.00 0.00 57.90 56.19 1f28 n TYR 151 Cb 0.23 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 38.55 1f28 n TYR 151 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1f28 n ASP 152 N 0.75 2.71 -1.56 7.72 -0.08 -0.50 -4.90 116.55 120.69 1f28 n ASP 152 Ca 0.15 1.12 0.08 0.00 -1.51 0.00 0.00 54.79 54.63 1f28 n ASP 152 Cb 0.37 -1.52 0.34 0.00 2.34 0.00 0.00 41.12 42.65 1f28 n ASP 152 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1f28 n ARG 153 N 0.06 3.78 -1.13 -0.67 1.74 -1.26 -4.40 116.66 114.77 1f28 n ARG 153 Ca 0.06 -2.66 -0.01 0.00 -0.77 0.00 0.00 57.85 54.47 1f28 n ARG 153 Cb 0.40 -1.94 0.14 0.00 -1.02 0.00 0.00 32.46 30.03 1f28 n ARG 153 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1f28 n ARG 154 N 0.88 1.77 -1.84 5.56 1.74 -1.26 -4.91 116.66 118.60 1f28 n ARG 154 Ca 0.24 -3.30 -0.41 0.00 -0.77 0.00 0.00 57.85 53.61 1f28 n ARG 154 Cb 0.90 -1.51 -0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1f28 n ARG 154 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1f28 n LEU 155 N -0.77 7.26 -4.74 0.55 4.77 -1.26 -4.93 117.00 117.88 1f28 n LEU 155 Ca 0.22 -4.39 -0.35 0.00 -0.03 0.00 0.00 56.01 51.46 1f28 n LEU 155 Cb 0.82 -1.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.26 1f28 n LEU 155 CO 0.05 1.44 -0.22 -0.63 -1.33 0.00 0.00 177.39 176.70 1f28 s ILE 156 N 1.86 5.03 -0.21 -0.08 -1.09 -1.26 -1.36 121.20 124.09 1f28 s ILE 156 Ca 0.50 0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1f28 s ILE 156 Cb 0.14 -3.22 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1f28 s ILE 156 CO -0.06 0.54 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.85 1f28 s LEU 157 N -0.35 2.48 -0.02 2.97 2.96 -0.48 -4.89 118.68 121.36 1f28 s LEU 157 Ca 0.10 -0.94 0.04 0.00 -0.22 0.00 0.00 54.13 53.10 1f28 s LEU 157 Cb -0.12 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1f28 s LEU 157 CO 0.01 -0.13 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.25 1f28 s SER 158 N 1.32 1.44 0.00 3.68 0.15 -1.26 -1.13 113.70 117.90 1f28 s SER 158 Ca -0.02 -0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.55 1f28 s SER 158 Cb -0.16 -0.23 0.07 0.00 -1.71 0.00 0.00 66.02 63.99 1f28 s SER 158 CO -0.08 0.13 0.87 0.00 1.20 0.00 0.00 173.24 175.36 1f28 n ALA 159 N 2.93 2.65 -2.56 5.45 0.00 -0.29 -4.35 120.51 124.34 1f28 n ALA 159 Ca -0.15 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 1f28 n ALA 159 Cb 0.55 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 1f28 n ALA 159 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1f28 s TRP 160 N -1.30 2.44 -0.34 0.00 -0.11 -1.19 -4.75 118.94 113.70 1f28 s TRP 160 Ca 0.14 0.19 0.03 0.00 1.22 0.00 0.00 56.10 57.68 1f28 s TRP 160 Cb 0.11 -4.57 0.10 0.00 -1.50 0.00 0.00 33.47 27.61 1f28 s TRP 160 CO 0.22 -1.83 0.07 1.21 -4.62 0.00 0.00 176.95 172.00 1f28 s ASN 161 N 3.36 4.56 0.43 5.86 3.84 -1.26 -4.99 114.94 126.73 1f28 s ASN 161 Ca 0.39 -2.04 0.16 0.00 0.21 0.00 0.00 52.86 51.58 1f28 s ASN 161 Cb -0.08 -1.42 1.05 0.00 -0.55 0.00 0.00 41.25 40.25 1f28 s ASN 161 CO 0.20 -0.39 1.92 -0.65 -2.79 0.00 0.00 177.10 175.40 1f28 h PRO 162 N 7.71 0.40 0.00 0.43 0.11 -2.02 -1.28 132.00 137.36 1f28 h PRO 162 Ca -0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1f28 h PRO 162 Cb 1.02 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1f28 h PRO 162 CO 0.51 0.27 -0.01 0.00 -0.21 0.00 0.00 178.00 178.56 1f28 h ALA 163 N 1.64 1.01 -0.01 -0.75 0.00 -2.02 -3.14 119.26 115.99 1f28 h ALA 163 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f28 h ALA 163 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1f28 h ALA 163 CO -0.12 0.01 -0.23 -0.25 0.00 0.00 0.00 179.25 178.66 1f28 n ASP 164 N -3.11 1.19 -0.31 0.00 8.00 -0.51 -4.74 116.55 117.08 1f28 n ASP 164 Ca -0.00 -1.10 0.10 0.00 0.71 0.00 0.00 54.79 54.50 1f28 n ASP 164 Cb 0.24 0.50 0.28 0.00 -0.02 0.00 0.00 41.12 42.12 1f28 n ASP 164 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1f28 h LEU 165 N 1.09 0.54 -2.03 0.64 4.07 -1.43 -0.40 115.31 117.78 1f28 h LEU 165 Ca 0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1f28 h LEU 165 Cb 0.35 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1f28 h LEU 165 CO 0.00 0.17 0.00 -0.33 -1.08 0.00 0.00 178.44 177.20 1f28 h GLU 166 N 0.59 0.00 -0.00 1.13 4.39 -1.85 -2.29 114.58 116.55 1f28 h GLU 166 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1f28 h GLU 166 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1f28 h GLU 166 CO -0.42 0.00 -0.55 1.63 -1.16 0.00 0.00 179.01 178.52 1f28 n LYS 167 N -3.06 0.13 -3.29 2.33 5.02 -0.17 -4.93 118.16 114.19 1f28 n LYS 167 Ca -0.01 -0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 1f28 n LYS 167 Cb 0.21 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1f28 n LYS 167 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1f28 s MET 168 N -2.93 4.07 0.35 1.97 -1.94 -0.86 -4.26 119.30 115.70 1f28 s MET 168 Ca 0.12 0.61 0.16 0.00 -1.71 0.00 0.00 55.69 54.87 1f28 s MET 168 Cb 0.17 -2.95 0.62 0.00 2.01 0.00 0.00 34.83 34.69 1f28 s MET 168 CO 0.70 0.47 1.72 0.00 -0.01 0.00 0.00 175.02 177.91 1f28 h ALA 169 N 3.62 1.04 -2.44 3.03 0.00 -1.31 -3.42 119.26 119.78 1f28 h ALA 169 Ca -0.49 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 1f28 h ALA 169 Cb 1.20 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 1f28 h ALA 169 CO 0.65 0.54 -0.30 -1.17 0.00 0.00 0.00 179.25 178.97 1f28 s LEU 170 N -7.36 -0.62 0.53 0.00 0.20 -1.26 -5.02 118.68 105.15 1f28 s LEU 170 Ca -0.01 1.08 -0.21 0.00 0.69 0.00 0.00 54.13 55.68 1f28 s LEU 170 Cb 0.12 1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 47.36 1f28 s LEU 170 CO 0.71 -0.22 1.24 -2.84 -0.29 0.00 0.00 176.35 174.94 1f28 s PRO 171 N 2.37 3.29 0.16 0.98 0.02 -1.26 -4.88 135.00 135.69 1f28 s PRO 171 Ca -0.04 1.93 -0.34 0.00 0.02 0.00 0.00 61.00 62.57 1f28 s PRO 171 Cb -0.11 -2.19 -0.14 0.00 0.02 0.00 0.00 34.50 32.08 1f28 s PRO 171 CO -0.14 -0.98 1.51 -2.30 -0.33 0.00 0.00 177.00 174.77 1f28 n PRO 172 N -1.05 1.98 -0.07 5.54 -0.02 -1.26 -4.92 135.00 135.19 1f28 n PRO 172 Ca 0.10 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1f28 n PRO 172 Cb 0.48 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1f28 n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f28 s HIS 174 N -2.09 2.46 0.03 0.00 0.00 -1.26 -1.55 115.29 112.88 1f28 s HIS 174 Ca -0.15 -0.42 -0.19 0.00 -3.00 0.00 0.00 55.06 51.30 1f28 s HIS 174 Cb 0.02 -4.57 -0.17 0.00 -4.00 0.00 0.00 32.58 23.85 1f28 s HIS 174 CO 0.34 -1.94 1.24 0.52 -1.00 0.00 0.00 174.74 173.90 1f28 h MET 175 N 9.82 0.44 -2.40 -0.38 0.00 -1.64 -3.44 114.93 117.34 1f28 h MET 175 Ca -0.13 -0.33 0.10 0.00 0.00 0.00 0.00 59.70 59.35 1f28 h MET 175 Cb 1.04 0.06 -0.13 0.00 0.00 0.00 0.00 31.60 32.56 1f28 h MET 175 CO 1.29 0.95 0.45 -0.59 0.00 0.00 0.00 176.91 179.01 1f28 s PHE 176 N -3.81 -0.33 0.06 -0.22 -0.71 -1.22 -1.13 117.98 110.61 1f28 s PHE 176 Ca -0.13 0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 55.89 1f28 s PHE 176 Cb 0.05 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1f28 s PHE 176 CO 0.80 -0.64 0.01 0.00 -1.34 0.00 0.00 175.22 174.04 1f28 s GLN 178 N -3.85 2.01 0.22 0.00 0.74 -0.54 -1.38 119.66 116.86 1f28 s GLN 178 Ca 0.06 -0.63 0.05 0.00 0.05 0.00 0.00 55.36 54.89 1f28 s GLN 178 Cb 0.07 -1.68 -0.03 0.00 1.10 0.00 0.00 33.01 32.47 1f28 s GLN 178 CO -0.10 0.21 0.26 -0.06 -0.55 0.00 0.00 175.29 175.04 1f28 s PHE 179 N 0.18 3.28 -0.17 1.67 0.40 -0.46 -0.73 117.98 122.15 1f28 s PHE 179 Ca -0.08 -0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.13 1f28 s PHE 179 Cb -0.13 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 41.95 1f28 s PHE 179 CO 0.04 0.49 0.40 -0.47 0.70 0.00 0.00 175.22 176.38 1f28 s TYR 180 N -1.98 -0.60 -0.22 0.36 5.04 -0.58 -4.57 117.35 114.80 1f28 s TYR 180 Ca 0.33 1.28 -0.10 0.00 -2.44 0.00 0.00 57.07 56.14 1f28 s TYR 180 Cb -0.09 0.26 -0.05 0.00 0.35 0.00 0.00 41.96 42.43 1f28 s TYR 180 CO 0.27 -0.35 0.14 0.14 -1.34 0.00 0.00 175.55 174.40 1f28 s VAL 181 N 1.49 5.23 0.32 3.14 -7.23 -1.26 -0.75 120.40 121.34 1f28 s VAL 181 Ca -0.09 0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 60.04 1f28 s VAL 181 Cb -0.09 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.34 1f28 s VAL 181 CO -0.13 0.38 0.78 -1.00 -0.31 0.00 0.00 175.10 174.82 1f28 s HIS 182 N 0.86 3.43 0.61 2.82 0.09 0.62 -4.79 115.29 118.92 1f28 s HIS 182 Ca 0.07 1.33 -0.17 0.00 -0.00 0.00 0.00 55.06 56.29 1f28 s HIS 182 Cb -0.13 -2.62 -0.03 0.00 -0.00 0.00 0.00 32.58 29.81 1f28 s HIS 182 CO 0.03 0.11 1.14 -1.50 -0.00 0.00 0.00 174.74 174.51 1f28 s ILE 183 N -1.92 3.07 0.17 0.60 2.07 -1.26 -3.67 121.20 120.27 1f28 s ILE 183 Ca 0.53 0.59 -0.33 0.00 -1.41 0.00 0.00 60.65 60.04 1f28 s ILE 183 Cb -0.12 -3.16 -0.12 0.00 0.13 0.00 0.00 42.46 39.19 1f28 s ILE 183 CO 0.18 -0.22 1.70 -2.65 -1.91 0.00 0.00 174.94 172.04 1f28 n PRO 184 N -1.86 2.57 -3.06 3.50 -0.02 -1.26 -4.71 135.00 130.15 1f28 n PRO 184 Ca 0.11 0.93 -0.40 0.00 -2.02 0.00 0.00 63.50 62.12 1f28 n PRO 184 Cb 0.51 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1f28 n PRO 184 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1f28 s SER 185 N 1.42 6.90 1.99 2.55 0.01 -1.26 -4.73 113.70 120.58 1f28 s SER 185 Ca 0.78 1.09 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1f28 s SER 185 Cb -0.56 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.27 1f28 s SER 185 CO 0.35 -0.17 0.00 0.59 0.41 0.00 0.00 173.24 174.42 1f28 n ASN 186 N 4.19 0.00 -2.70 2.44 3.02 -1.26 -1.58 115.26 119.36 1f28 n ASN 186 Ca -0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.47 1f28 n ASN 186 Cb 0.51 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1f28 n ASN 186 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f28 n ASN 187 N 10.67 1.68 -4.74 6.41 3.02 -1.26 -5.10 115.26 125.93 1f28 n ASN 187 Ca 0.00 -2.52 -0.21 0.00 -0.03 0.00 0.00 54.58 51.82 1f28 n ASN 187 Cb 0.00 -0.51 0.09 0.00 -0.61 0.00 0.00 39.78 38.75 1f28 n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1f28 n HIS 188 N -0.28 -2.58 -2.46 3.10 8.25 -0.62 -5.07 115.22 115.55 1f28 n HIS 188 Ca 0.10 -1.94 -0.39 0.00 -0.26 0.00 0.00 57.72 55.23 1f28 n HIS 188 Cb 0.81 -0.62 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 1f28 n HIS 188 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1f28 s ARG 189 N -4.82 4.43 0.59 -0.41 3.52 -1.26 -4.59 118.95 116.41 1f28 s ARG 189 Ca 0.63 1.74 -0.20 0.00 -0.13 0.00 0.00 55.73 57.76 1f28 s ARG 189 Cb -0.04 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1f28 s ARG 189 CO 0.41 0.04 1.34 -2.14 -0.81 0.00 0.00 175.30 174.14 1f28 s PRO 190 N -1.84 2.91 0.05 5.12 0.02 -1.26 -4.61 135.00 135.39 1f28 s PRO 190 Ca 0.50 2.18 -0.08 0.00 0.02 0.00 0.00 61.00 63.61 1f28 s PRO 190 Cb -0.29 -2.10 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 1f28 s PRO 190 CO 0.37 -1.35 0.34 -1.21 -0.33 0.00 0.00 177.00 174.82 1f28 s GLU 191 N -3.09 3.66 -0.20 5.54 0.41 -1.24 -0.80 118.70 122.98 1f28 s GLU 191 Ca 0.76 0.03 -0.02 0.00 -0.41 0.00 0.00 54.97 55.33 1f28 s GLU 191 Cb -0.39 -3.02 -0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1f28 s GLU 191 CO 0.45 0.59 -0.10 -1.17 -0.49 0.00 0.00 175.26 174.54 1f28 s LEU 192 N -1.91 2.66 0.26 1.80 2.96 0.10 -0.27 118.68 124.28 1f28 s LEU 192 Ca 0.31 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.86 1f28 s LEU 192 Cb -0.13 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1f28 s LEU 192 CO 0.18 0.01 0.05 -0.44 -1.32 0.00 0.00 176.35 174.82 1f28 s SER 193 N 1.29 4.79 -0.03 3.68 0.01 0.07 0.11 113.70 123.61 1f28 s SER 193 Ca 0.04 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1f28 s SER 193 Cb -0.14 -0.98 0.03 0.00 0.21 0.00 0.00 66.02 65.13 1f28 s SER 193 CO -0.05 -0.01 0.02 0.00 0.41 0.00 0.00 173.24 173.61 1f28 s GLN 195 N 1.12 2.93 -0.08 0.00 0.74 0.09 -0.10 119.66 124.36 1f28 s GLN 195 Ca -0.08 -0.95 -0.12 0.00 0.05 0.00 0.00 55.36 54.26 1f28 s GLN 195 Cb -0.13 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 1f28 s GLN 195 CO -0.02 -0.45 0.29 -1.17 -0.55 0.00 0.00 175.29 173.39 1f28 s LEU 196 N 1.41 4.39 -0.23 3.68 2.96 0.62 -1.46 118.68 130.05 1f28 s LEU 196 Ca 0.01 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1f28 s LEU 196 Cb -0.17 -2.37 -0.00 0.00 0.50 0.00 0.00 46.19 44.15 1f28 s LEU 196 CO -0.00 0.29 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.82 1f28 s TYR 197 N -0.67 2.99 -0.24 5.38 5.04 -0.20 -0.28 117.35 129.37 1f28 s TYR 197 Ca 0.19 -1.04 -0.02 0.00 -2.44 0.00 0.00 57.07 53.77 1f28 s TYR 197 Cb -0.14 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.08 1f28 s TYR 197 CO 0.08 -0.58 -0.06 -1.14 -1.34 0.00 0.00 175.55 172.51 1f28 s GLN 198 N 1.46 2.91 0.38 4.97 0.74 -0.04 -2.15 119.66 127.93 1f28 s GLN 198 Ca 0.05 -0.93 0.18 0.00 0.05 0.00 0.00 55.36 54.71 1f28 s GLN 198 Cb -0.15 -2.99 0.75 0.00 1.10 0.00 0.00 33.01 31.72 1f28 s GLN 198 CO -0.03 -0.37 1.78 0.07 -0.55 0.00 0.00 175.29 176.18 1f28 h ARG 199 N 8.03 0.00 -2.95 1.67 0.11 -1.59 0.13 114.38 119.78 1f28 h ARG 199 Ca -0.34 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.47 1f28 h ARG 199 Cb 1.12 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.85 1f28 h ARG 199 CO 0.58 0.36 -0.60 0.45 0.10 0.00 0.00 179.97 180.86 1f28 s SER 200 N -6.51 0.72 -0.19 0.08 0.15 -1.26 -0.94 113.70 105.74 1f28 s SER 200 Ca -0.01 0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.99 1f28 s SER 200 Cb 0.12 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1f28 s SER 200 CO 0.69 -0.25 -0.10 0.00 1.20 0.00 0.00 173.24 174.77 1f28 s ASP 202 N 1.42 6.45 0.31 0.00 3.68 -1.26 -0.92 116.67 126.35 1f28 s ASP 202 Ca -0.01 -1.54 0.04 0.00 2.13 0.00 0.00 52.55 53.17 1f28 s ASP 202 Cb -0.16 -2.45 0.66 0.00 -1.45 0.00 0.00 42.92 39.52 1f28 s ASP 202 CO -0.08 -1.30 1.85 0.24 0.13 0.00 0.00 175.17 176.01 1f28 h MET 203 N 9.30 0.85 -0.09 4.34 2.86 -1.43 -0.97 114.93 129.79 1f28 h MET 203 Ca 0.01 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1f28 h MET 203 Cb 1.04 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1f28 h MET 203 CO 1.20 0.56 -0.16 0.78 1.06 0.00 0.00 176.91 180.35 1f28 h GLY 204 N 0.88 0.29 0.00 8.32 0.00 -1.90 -3.40 103.07 107.26 1f28 h GLY 204 Ca 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1f28 h GLY 204 CO -0.24 0.31 -0.51 -0.10 0.00 0.00 0.00 176.54 175.99 1f28 n LEU 205 N -4.58 1.06 -0.02 3.11 0.00 -1.16 -4.83 117.00 110.58 1f28 n LEU 205 Ca -0.07 0.23 -0.12 0.00 0.00 0.00 0.00 56.01 56.04 1f28 n LEU 205 Cb 0.38 -0.64 -0.07 0.00 0.00 0.00 0.00 43.42 43.09 1f28 n LEU 205 CO 0.39 -0.39 0.73 1.23 0.00 0.00 0.00 177.39 179.35 1f28 h GLY 206 N -0.55 0.16 -0.22 -3.96 0.00 -1.49 -3.36 103.07 93.65 1f28 h GLY 206 Ca 0.00 -0.12 0.19 0.00 0.00 0.00 0.00 47.33 47.41 1f28 h GLY 206 CO 0.00 0.11 0.24 -2.08 0.00 0.00 0.00 176.54 174.80 1f28 h VAL 207 N -0.13 0.44 -0.81 4.60 2.07 -1.47 -0.43 116.25 120.52 1f28 h VAL 207 Ca 0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1f28 h VAL 207 Cb 0.35 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1f28 h VAL 207 CO 0.00 0.05 0.51 -0.65 0.02 0.00 0.00 177.57 177.51 1f28 h PRO 208 N 0.28 1.08 -0.33 1.57 0.11 -1.79 0.73 132.00 133.64 1f28 h PRO 208 Ca 0.49 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 66.34 1f28 h PRO 208 Cb 0.90 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1f28 h PRO 208 CO -0.56 0.74 -0.46 0.74 -0.21 0.00 0.00 178.00 178.25 1f28 h PHE 209 N 1.11 1.11 -0.72 0.65 -1.00 -1.38 -2.70 116.94 114.00 1f28 h PHE 209 Ca 0.29 -0.36 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1f28 h PHE 209 Cb -0.08 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.22 1f28 h PHE 209 CO 0.00 1.19 0.29 -0.91 -1.61 0.00 0.00 178.31 177.27 1f28 h ASN 210 N 0.70 0.99 -0.03 2.17 -0.26 -0.56 0.37 115.58 118.97 1f28 h ASN 210 Ca 0.04 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1f28 h ASN 210 Cb 1.06 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1f28 h ASN 210 CO 0.11 0.90 -0.05 0.40 -1.06 0.00 0.00 177.43 177.72 1f28 h ILE 211 N 1.03 0.86 -0.51 2.81 2.04 -0.85 -1.81 117.51 121.08 1f28 h ILE 211 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1f28 h ILE 211 Cb 0.21 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1f28 h ILE 211 CO -0.02 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.46 1f28 h ALA 212 N 0.95 0.65 -0.20 1.87 0.00 -1.13 -1.38 119.26 120.02 1f28 h ALA 212 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1f28 h ALA 212 Cb 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1f28 h ALA 212 CO -0.08 0.10 -0.22 1.03 0.00 0.00 0.00 179.25 180.09 1f28 h SER 213 N 0.69 -0.68 0.87 0.00 0.87 0.12 0.86 113.55 116.27 1f28 h SER 213 Ca 0.19 0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 1f28 h SER 213 Cb -0.06 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1f28 h SER 213 CO -0.04 -0.26 -0.62 1.88 -0.53 0.00 0.00 176.83 177.26 1f28 h TYR 214 N -0.24 0.00 -0.55 2.24 0.05 -1.21 -0.89 116.97 116.37 1f28 h TYR 214 Ca 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 1f28 h TYR 214 Cb 0.42 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1f28 h TYR 214 CO -0.35 0.62 0.06 0.00 -1.05 0.00 0.00 178.16 177.43 1f28 h ALA 215 N 1.38 0.73 -0.06 3.88 0.00 -0.89 -0.79 119.26 123.51 1f28 h ALA 215 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1f28 h ALA 215 Cb 1.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1f28 h ALA 215 CO 0.08 0.51 0.02 -0.07 0.00 0.00 0.00 179.25 179.79 1f28 h LEU 216 N 0.82 0.08 -0.33 0.00 3.38 -0.52 -1.32 115.31 117.41 1f28 h LEU 216 Ca 0.16 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1f28 h LEU 216 Cb 0.46 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1f28 h LEU 216 CO 0.02 0.23 0.05 0.25 0.09 0.00 0.00 178.44 179.07 1f28 h LEU 217 N -0.07 -0.03 -0.45 1.67 5.85 -1.07 0.37 115.31 121.57 1f28 h LEU 217 Ca 0.02 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1f28 h LEU 217 Cb 0.18 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1f28 h LEU 217 CO -0.00 0.02 0.19 0.74 -0.34 0.00 0.00 178.44 179.05 1f28 h THR 218 N 0.16 0.90 -0.72 1.05 2.02 -1.07 0.32 112.91 115.57 1f28 h THR 218 Ca 0.16 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1f28 h THR 218 Cb 0.19 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1f28 h THR 218 CO -0.22 0.07 0.35 0.00 0.37 0.00 0.00 175.52 176.09 1f28 h MET 220 N 1.01 -0.00 -0.32 0.00 2.07 0.33 -0.18 114.93 117.84 1f28 h MET 220 Ca 0.25 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.81 1f28 h MET 220 Cb 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 1f28 h MET 220 CO -0.03 0.16 -0.11 0.97 1.07 0.00 0.00 176.91 178.97 1f28 h ILE 221 N -0.17 1.23 0.02 -1.22 2.10 -0.85 -1.53 117.51 117.09 1f28 h ILE 221 Ca -0.00 -1.01 -0.00 0.00 1.08 0.00 0.00 64.86 64.92 1f28 h ILE 221 Cb 0.17 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1f28 h ILE 221 CO 0.00 0.34 -0.01 0.00 -1.08 0.00 0.00 178.15 177.40 1f28 h ALA 222 N 1.39 -0.03 -0.23 0.18 0.00 -0.76 -1.93 119.26 117.88 1f28 h ALA 222 Ca 0.09 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1f28 h ALA 222 Cb 0.49 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1f28 h ALA 222 CO 0.03 -0.45 -0.21 1.25 0.00 0.00 0.00 179.25 179.87 1f28 h HIS 223 N -0.16 -0.54 0.00 0.00 -0.00 -0.73 -0.68 115.15 113.04 1f28 h HIS 223 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1f28 h HIS 223 Cb 0.15 0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1f28 h HIS 223 CO -0.03 -0.28 0.00 0.28 -0.00 0.00 0.00 177.93 177.89 1f28 h VAL 224 N -0.21 0.00 -0.43 5.26 2.07 -1.22 -2.79 116.25 118.94 1f28 h VAL 224 Ca 0.13 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1f28 h VAL 224 Cb 0.41 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1f28 h VAL 224 CO -0.36 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.23 1f28 n ASP 226 N 0.86 -5.29 -4.61 0.00 9.92 -0.49 -4.97 116.55 111.97 1f28 n ASP 226 Ca 0.15 -0.31 -0.28 0.00 -0.53 0.00 0.00 54.79 53.82 1f28 n ASP 226 Cb 0.48 -4.03 -0.11 0.00 -0.64 0.00 0.00 41.12 36.82 1f28 n ASP 226 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1f28 s LEU 227 N -5.61 2.85 0.06 0.64 1.43 -0.39 -4.75 118.68 112.91 1f28 s LEU 227 Ca 0.34 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 1f28 s LEU 227 Cb -0.15 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1f28 s LEU 227 CO 0.42 -0.40 0.09 -1.81 0.23 0.00 0.00 176.35 174.88 1f28 s ASP 228 N -3.69 5.63 0.24 2.29 1.01 0.02 -4.20 116.67 117.97 1f28 s ASP 228 Ca 0.35 0.04 -0.30 0.00 0.71 0.00 0.00 52.55 53.35 1f28 s ASP 228 Cb 0.08 -1.55 -0.09 0.00 1.01 0.00 0.00 42.92 42.37 1f28 s ASP 228 CO 0.18 0.19 1.06 -2.16 0.21 0.00 0.00 175.17 174.64 1f28 s PRO 229 N -2.30 4.68 0.00 8.23 0.04 -1.26 0.03 135.00 144.42 1f28 s PRO 229 Ca 0.29 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1f28 s PRO 229 Cb -0.12 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1f28 s PRO 229 CO 0.21 0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.91 1f28 n GLY 230 N 1.52 0.14 3.34 0.56 0.00 0.29 -4.09 105.19 106.96 1f28 n GLY 230 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1f28 n GLY 230 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f28 s ASP 231 N -1.00 2.93 -0.17 1.61 1.01 -1.26 -0.55 116.67 119.24 1f28 s ASP 231 Ca 0.00 -0.72 -0.02 0.00 0.71 0.00 0.00 52.55 52.52 1f28 s ASP 231 Cb 0.00 -0.18 -0.01 0.00 1.01 0.00 0.00 42.92 43.74 1f28 s ASP 231 CO 0.00 0.12 -0.08 0.12 0.21 0.00 0.00 175.17 175.53 1f28 s PHE 232 N -1.13 2.90 -0.20 4.23 5.36 0.50 -0.95 117.98 128.69 1f28 s PHE 232 Ca 0.10 -0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1f28 s PHE 232 Cb -0.10 -1.98 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1f28 s PHE 232 CO 0.05 -0.36 -0.13 0.42 -1.46 0.00 0.00 175.22 173.74 1f28 s ILE 233 N 0.88 2.67 -0.42 3.12 1.09 0.85 -0.28 121.20 129.11 1f28 s ILE 233 Ca -0.02 -0.73 -0.13 0.00 -1.10 0.00 0.00 60.65 58.67 1f28 s ILE 233 Cb -0.15 -2.17 0.05 0.00 -1.06 0.00 0.00 42.46 39.13 1f28 s ILE 233 CO 0.01 0.49 0.29 -2.28 -0.10 0.00 0.00 174.94 173.34 1f28 s HIS 234 N 1.36 3.26 -0.09 3.97 2.46 0.77 -0.27 115.29 126.75 1f28 s HIS 234 Ca 0.05 -1.01 -0.11 0.00 0.47 0.00 0.00 55.06 54.46 1f28 s HIS 234 Cb -0.14 -2.80 -0.05 0.00 -0.13 0.00 0.00 32.58 29.47 1f28 s HIS 234 CO -0.08 -0.73 0.25 0.08 -2.47 0.00 0.00 174.74 171.79 1f28 s VAL 235 N 1.57 5.31 0.04 0.89 1.01 0.62 -1.23 120.40 128.62 1f28 s VAL 235 Ca 0.03 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1f28 s VAL 235 Cb -0.22 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1f28 s VAL 235 CO 0.06 0.56 -0.19 -0.04 0.00 0.00 0.00 175.10 175.49 1f28 s MET 236 N -0.73 1.25 0.00 2.72 -1.94 -1.26 -0.86 119.30 118.48 1f28 s MET 236 Ca 0.18 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1f28 s MET 236 Cb -0.14 -1.34 0.00 0.00 2.01 0.00 0.00 34.83 35.37 1f28 s MET 236 CO 0.07 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 175.83 1f28 n GLY 237 N 1.84 0.49 3.56 -0.03 0.00 0.45 -3.46 105.19 108.04 1f28 n GLY 237 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1f28 n GLY 237 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f28 s ASP 238 N -1.00 6.22 -0.33 1.61 3.68 -0.12 -1.04 116.67 125.70 1f28 s ASP 238 Ca 0.00 -0.13 -0.13 0.00 2.13 0.00 0.00 52.55 54.42 1f28 s ASP 238 Cb 0.00 -2.55 -0.02 0.00 -1.45 0.00 0.00 42.92 38.89 1f28 s ASP 238 CO 0.00 -1.72 0.25 0.00 0.13 0.00 0.00 175.17 173.82 1f28 s HIS 240 N 1.78 1.27 -0.05 0.00 -0.00 -0.10 -0.60 115.29 117.59 1f28 s HIS 240 Ca 0.07 -1.25 0.01 0.00 -0.00 0.00 0.00 55.06 53.90 1f28 s HIS 240 Cb -0.17 -0.69 0.02 0.00 -0.00 0.00 0.00 32.58 31.74 1f28 s HIS 240 CO 0.11 -0.46 -0.06 0.42 -0.00 0.00 0.00 174.74 174.74 1f28 s ILE 241 N -3.94 0.71 0.12 -5.38 1.01 -0.31 -0.93 121.20 112.48 1f28 s ILE 241 Ca 0.35 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 1f28 s ILE 241 Cb 0.07 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.77 1f28 s ILE 241 CO 0.10 0.27 1.20 -0.31 0.00 0.00 0.00 174.94 176.20 1f28 s TYR 242 N 0.93 3.44 0.51 3.97 2.02 -1.26 -0.29 117.35 126.66 1f28 s TYR 242 Ca -0.11 1.35 0.28 0.00 -0.37 0.00 0.00 57.07 58.23 1f28 s TYR 242 Cb -0.15 -3.42 1.38 0.00 -0.40 0.00 0.00 41.96 39.37 1f28 s TYR 242 CO 0.00 -1.25 1.88 0.87 -1.57 0.00 0.00 175.55 175.49 1f28 h LYS 243 N 6.06 0.10 -0.44 -0.62 1.57 -1.50 0.13 116.57 121.87 1f28 h LYS 243 Ca -0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1f28 h LYS 243 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1f28 h LYS 243 CO 0.78 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.33 1f28 n ASP 244 N -4.34 1.32 -0.00 0.86 3.85 -1.26 -3.19 116.55 113.78 1f28 n ASP 244 Ca 0.19 -2.08 0.03 0.00 -0.71 0.00 0.00 54.79 52.22 1f28 n ASP 244 Cb 0.89 -0.27 -0.04 0.00 -1.35 0.00 0.00 41.12 40.36 1f28 n ASP 244 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1f28 n HIS 245 N 0.04 0.00 -0.01 2.11 8.25 0.45 -4.78 115.22 121.29 1f28 n HIS 245 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1f28 n HIS 245 Cb 0.26 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 1f28 n HIS 245 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1f28 h ILE 246 N 0.00 0.00 -0.93 1.59 2.04 -1.53 -1.07 117.51 117.61 1f28 h ILE 246 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1f28 h ILE 246 Cb 0.20 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.13 1f28 h ILE 246 CO 0.00 0.00 -0.37 1.05 0.00 0.00 0.00 178.15 178.83 1f28 h GLU 247 N -0.46 -0.03 -0.58 2.37 9.09 -1.86 0.17 114.58 123.28 1f28 h GLU 247 Ca 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.40 1f28 h GLU 247 Cb 0.54 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 1f28 h GLU 247 CO -0.35 -0.02 0.22 0.00 0.05 0.00 0.00 179.01 178.92 1f28 h ALA 248 N 1.36 1.30 -0.15 1.06 0.00 -1.77 -2.62 119.26 118.44 1f28 h ALA 248 Ca 0.34 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1f28 h ALA 248 Cb 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1f28 h ALA 248 CO -0.94 0.52 -0.52 -0.07 0.00 0.00 0.00 179.25 178.24 1f28 h LEU 249 N 0.83 0.45 -1.50 0.00 -0.00 0.52 -1.66 115.31 113.96 1f28 h LEU 249 Ca 0.20 -0.23 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1f28 h LEU 249 Cb 0.18 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1f28 h LEU 249 CO -0.02 0.89 -0.24 1.56 -0.00 0.00 0.00 178.44 180.64 1f28 h GLN 250 N 0.32 0.00 0.02 1.13 4.20 -0.47 0.28 115.11 120.59 1f28 h GLN 250 Ca 0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 1f28 h GLN 250 Cb 1.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 1f28 h GLN 250 CO 0.09 0.24 -1.32 -0.56 -0.67 0.00 0.00 178.83 176.60 1f28 h GLN 251 N 0.00 0.04 -0.02 1.46 3.07 -1.20 -3.18 115.11 115.29 1f28 h GLN 251 Ca -0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 58.65 58.57 1f28 h GLN 251 Cb 0.55 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 1f28 h GLN 251 CO 0.03 0.85 -0.44 0.37 0.09 0.00 0.00 178.83 179.73 1f28 h GLN 252 N 0.01 0.03 0.00 0.06 4.15 -0.45 -2.30 115.11 116.62 1f28 h GLN 252 Ca -0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1f28 h GLN 252 Cb 1.89 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.58 1f28 h GLN 252 CO 0.12 0.47 0.00 -0.07 -1.93 0.00 0.00 178.83 177.42 1f28 h LEU 253 N 0.03 0.00 0.00 -2.39 3.38 -0.47 -1.83 115.31 114.03 1f28 h LEU 253 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f28 h LEU 253 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1f28 h LEU 253 CO 0.06 0.00 -0.19 0.35 0.09 0.00 0.00 178.44 178.75 1f28 n THR 254 N -2.76 0.17 -2.21 0.22 -2.24 -0.87 -4.87 114.28 101.72 1f28 n THR 254 Ca 0.01 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1f28 n THR 254 Cb 0.25 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1f28 n THR 254 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1f28 s ARG 255 N -3.04 3.50 -0.18 -0.78 0.52 -0.69 -5.08 118.95 113.19 1f28 s ARG 255 Ca 0.12 0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 55.77 1f28 s ARG 255 Cb 0.17 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1f28 s ARG 255 CO 0.61 -0.45 -0.08 -1.12 0.02 0.00 0.00 175.30 174.28 1f28 s SER 256 N -4.17 4.21 0.21 0.23 0.01 -1.26 -5.06 113.70 107.87 1f28 s SER 256 Ca 0.52 -0.35 -0.32 0.00 1.31 0.00 0.00 55.95 57.10 1f28 s SER 256 Cb -0.11 -1.69 -0.13 0.00 0.21 0.00 0.00 66.02 64.30 1f28 s SER 256 CO 0.50 0.06 1.59 -2.65 0.41 0.00 0.00 173.24 173.15 1f28 n PRO 257 N 4.25 2.40 -3.15 12.44 -0.02 -1.26 -4.82 135.00 144.83 1f28 n PRO 257 Ca -0.18 0.86 -0.22 0.00 -2.02 0.00 0.00 63.50 61.94 1f28 n PRO 257 Cb 0.52 -2.63 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 1f28 n PRO 257 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f28 s ARG 258 N 0.49 3.12 0.61 -0.52 3.00 -1.26 -4.79 118.95 119.60 1f28 s ARG 258 Ca 0.73 -0.60 -0.18 0.00 0.00 0.00 0.00 55.73 55.68 1f28 s ARG 258 Cb -0.59 -2.63 -0.03 0.00 0.00 0.00 0.00 34.95 31.69 1f28 s ARG 258 CO 0.40 -0.15 1.20 -1.25 0.00 0.00 0.00 175.30 175.50 1f28 s PRO 259 N -4.44 2.90 0.69 3.54 0.04 -1.26 -4.10 135.00 132.37 1f28 s PRO 259 Ca 0.47 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 1f28 s PRO 259 Cb -0.10 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1f28 s PRO 259 CO 0.36 -1.25 1.14 -0.06 0.04 0.00 0.00 177.00 177.23 1f28 s PHE 260 N -1.69 2.42 0.32 0.56 0.08 -1.26 -4.81 117.98 113.60 1f28 s PHE 260 Ca 0.76 1.57 -0.05 0.00 0.12 0.00 0.00 56.93 59.33 1f28 s PHE 260 Cb -0.29 -3.26 0.08 0.00 -0.57 0.00 0.00 43.02 38.97 1f28 s PHE 260 CO 0.34 -1.99 0.38 -0.35 -0.10 0.00 0.00 175.22 173.50 1f28 n PRO 261 N -2.57 -0.80 -4.50 0.24 -0.04 -1.25 -4.78 135.00 121.30 1f28 n PRO 261 Ca 0.11 -0.60 -0.25 0.00 -0.04 0.00 0.00 63.50 62.72 1f28 n PRO 261 Cb 0.51 -0.44 -0.10 0.00 -0.04 0.00 0.00 33.50 33.43 1f28 n PRO 261 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1f28 s THR 262 N -1.80 2.36 -0.05 0.52 -4.23 -0.54 -1.33 115.64 110.57 1f28 s THR 262 Ca 0.23 -2.22 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1f28 s THR 262 Cb -0.01 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1f28 s THR 262 CO 0.16 -0.25 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.68 1f28 s LEU 263 N -3.60 1.58 -0.10 4.79 2.96 0.87 -1.90 118.68 123.27 1f28 s LEU 263 Ca 0.32 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1f28 s LEU 263 Cb 0.00 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 46.04 1f28 s LEU 263 CO 0.17 0.01 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.59 1f28 s SER 264 N 0.64 2.56 -0.53 3.68 0.01 0.35 -4.83 113.70 115.60 1f28 s SER 264 Ca -0.12 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.49 1f28 s SER 264 Cb -0.14 -1.17 0.06 0.00 0.21 0.00 0.00 66.02 64.98 1f28 s SER 264 CO 0.02 0.07 0.67 -0.76 0.41 0.00 0.00 173.24 173.66 1f28 s LEU 265 N 0.68 4.93 0.00 2.44 2.01 -1.26 -0.38 118.68 127.10 1f28 s LEU 265 Ca -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 54.13 53.04 1f28 s LEU 265 Cb -0.16 -2.46 0.15 0.00 0.01 0.00 0.00 46.19 43.73 1f28 s LEU 265 CO 0.03 -0.97 1.01 -3.20 1.01 0.00 0.00 176.35 174.23 1f28 n ASN 266 N 6.35 1.01 0.00 2.29 5.15 -0.07 -4.44 115.26 125.54 1f28 n ASN 266 Ca -0.06 -1.94 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 1f28 n ASN 266 Cb 0.45 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1f28 n ASN 266 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1f28 n ARG 267 N -2.93 0.00 -3.35 1.20 0.63 -1.26 -3.96 116.66 106.99 1f28 n ARG 267 Ca 0.16 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.93 1f28 n ARG 267 Cb 0.55 -2.28 0.04 0.00 0.45 0.00 0.00 32.46 31.22 1f28 n ARG 267 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1f28 n SER 268 N 0.00 -6.53 -4.78 6.15 3.41 -1.26 -4.95 113.62 105.66 1f28 n SER 268 Ca 0.00 -0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 57.63 1f28 n SER 268 Cb 0.00 -4.51 -0.02 0.00 -0.26 0.00 0.00 64.21 59.41 1f28 n SER 268 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1f28 s ILE 269 N -3.26 3.50 0.00 -1.33 1.09 -1.25 -4.96 121.20 114.98 1f28 s ILE 269 Ca 0.30 1.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.89 1f28 s ILE 269 Cb -0.07 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1f28 s ILE 269 CO 0.79 -0.10 0.36 0.35 -0.10 0.00 0.00 174.94 176.24 1f28 n THR 270 N -0.65 0.12 -4.05 2.92 -2.24 -1.26 -4.71 114.28 104.42 1f28 n THR 270 Ca 0.08 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.39 1f28 n THR 270 Cb 0.50 1.34 -0.16 0.00 -2.10 0.00 0.00 70.33 69.91 1f28 n THR 270 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f28 s ASP 271 N -0.12 0.64 0.50 3.42 -1.08 -1.26 -4.91 116.67 113.86 1f28 s ASP 271 Ca 0.00 -0.07 0.25 0.00 -0.52 0.00 0.00 52.55 52.20 1f28 s ASP 271 Cb 0.00 -0.32 1.33 0.00 -1.46 0.00 0.00 42.92 42.46 1f28 s ASP 271 CO 0.00 -0.07 1.94 -0.29 0.52 0.00 0.00 175.17 177.26 1f28 h ILE 272 N 6.18 0.69 0.00 4.11 6.09 -1.95 0.62 117.51 133.25 1f28 h ILE 272 Ca -0.41 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1f28 h ILE 272 Cb 1.14 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.00 1f28 h ILE 272 CO 0.48 0.02 0.00 -0.62 -3.07 0.00 0.00 178.15 174.96 1f28 n GLU 273 N -4.38 0.48 0.00 2.19 1.02 -1.26 -3.59 120.64 115.10 1f28 n GLU 273 Ca 0.14 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 1f28 n GLU 273 Cb 0.70 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.81 1f28 n GLU 273 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1f28 n ASP 274 N -1.24 1.45 -4.77 1.62 10.43 0.21 -4.96 116.55 119.30 1f28 n ASP 274 Ca 0.14 -1.15 -0.39 0.00 2.57 0.00 0.00 54.79 55.97 1f28 n ASP 274 Cb 0.20 0.32 -0.02 0.00 1.84 0.00 0.00 41.12 43.46 1f28 n ASP 274 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1f28 s PHE 275 N -2.53 3.15 0.23 1.24 0.40 -1.24 -5.02 117.98 114.22 1f28 s PHE 275 Ca 0.21 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 58.12 1f28 s PHE 275 Cb 0.19 -3.42 -0.05 0.00 0.51 0.00 0.00 43.02 40.24 1f28 s PHE 275 CO 0.56 -1.28 0.02 0.95 0.70 0.00 0.00 175.22 176.17 1f28 s THR 276 N -1.33 0.90 0.31 0.64 -4.23 -1.26 -5.05 115.64 105.62 1f28 s THR 276 Ca 0.54 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 59.11 1f28 s THR 276 Cb -0.32 -2.37 0.31 0.00 1.34 0.00 0.00 72.50 71.45 1f28 s THR 276 CO 0.41 -0.28 1.69 0.25 -0.54 0.00 0.00 174.62 176.15 1f28 h LEU 277 N 2.48 0.42 -0.06 4.79 6.46 -1.96 -1.01 115.31 126.43 1f28 h LEU 277 Ca -0.38 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1f28 h LEU 277 Cb 1.22 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1f28 h LEU 277 CO 0.64 -0.03 -0.02 0.47 -0.62 0.00 0.00 178.44 178.88 1f28 n ASP 278 N -5.03 0.11 -0.01 1.25 9.92 -1.26 -3.24 116.55 118.29 1f28 n ASP 278 Ca 0.26 -0.55 0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1f28 n ASP 278 Cb 0.77 -0.14 0.77 0.00 -0.64 0.00 0.00 41.12 41.87 1f28 n ASP 278 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1f28 n ASP 279 N -1.09 0.05 -4.50 -2.24 8.00 -0.38 -4.72 116.55 111.66 1f28 n ASP 279 Ca 0.18 -0.28 -0.40 0.00 0.71 0.00 0.00 54.79 54.99 1f28 n ASP 279 Cb 0.20 -0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 1f28 n ASP 279 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1f28 s PHE 280 N -2.50 3.22 -0.42 1.24 0.40 -1.20 -0.90 117.98 117.83 1f28 s PHE 280 Ca 0.31 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 1f28 s PHE 280 Cb 0.20 -2.45 0.10 0.00 0.51 0.00 0.00 43.02 41.38 1f28 s PHE 280 CO 0.45 -0.41 0.25 1.21 0.70 0.00 0.00 175.22 177.42 1f28 s ASN 281 N 1.69 5.48 -0.43 1.36 2.47 0.48 -4.97 114.94 121.02 1f28 s ASN 281 Ca 0.05 -1.75 -0.16 0.00 0.42 0.00 0.00 52.86 51.42 1f28 s ASN 281 Cb -0.17 -1.93 0.03 0.00 -1.45 0.00 0.00 41.25 37.73 1f28 s ASN 281 CO 0.09 -0.56 0.37 -0.63 -3.72 0.00 0.00 177.10 172.65 1f28 s ILE 282 N 1.31 5.19 -0.10 -5.21 1.01 -1.26 -0.50 121.20 121.64 1f28 s ILE 282 Ca 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 1f28 s ILE 282 Cb -0.24 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1f28 s ILE 282 CO -0.01 -0.41 0.10 -1.10 0.00 0.00 0.00 174.94 173.52 1f28 s GLN 283 N 1.83 3.29 -1.05 2.79 -0.21 -0.80 -4.66 119.66 120.86 1f28 s GLN 283 Ca 0.07 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.21 1f28 s GLN 283 Cb -0.20 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.76 1f28 s GLN 283 CO 0.10 0.75 0.88 0.09 -2.12 0.00 0.00 175.29 174.99 1f28 n ASN 284 N 1.96 -2.62 -4.51 5.90 3.02 -1.26 -1.46 115.26 116.28 1f28 n ASN 284 Ca -0.19 -0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 1f28 n ASN 284 Cb 0.54 -4.45 -0.09 0.00 -0.61 0.00 0.00 39.78 35.17 1f28 n ASN 284 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1f28 s TYR 285 N -3.30 3.20 -0.56 3.10 6.04 -1.26 -4.11 117.35 120.45 1f28 s TYR 285 Ca 0.08 -0.23 0.05 0.00 0.04 0.00 0.00 57.07 57.00 1f28 s TYR 285 Cb -0.03 -2.75 0.17 0.00 -1.04 0.00 0.00 41.96 38.31 1f28 s TYR 285 CO 0.62 -0.56 0.42 0.72 -1.54 0.00 0.00 175.55 175.22 1f28 n HIS 286 N 5.44 1.24 -2.18 4.97 8.25 -1.26 -5.08 115.22 126.60 1f28 n HIS 286 Ca -0.09 -3.83 -0.27 0.00 -0.26 0.00 0.00 57.72 53.28 1f28 n HIS 286 Cb 0.48 -0.20 0.05 0.00 1.12 0.00 0.00 29.99 31.45 1f28 n HIS 286 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1f28 s PRO 287 N -0.75 2.52 0.99 -0.41 0.04 -1.26 -4.89 135.00 131.24 1f28 s PRO 287 Ca 0.29 -0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.16 1f28 s PRO 287 Cb -0.00 -2.15 0.19 0.00 0.04 0.00 0.00 34.50 32.58 1f28 s PRO 287 CO -0.18 -1.07 1.22 0.71 0.04 0.00 0.00 177.00 177.72 1f28 s TYR 288 N -3.22 1.69 1.16 0.56 1.51 0.13 -4.93 117.35 114.25 1f28 s TYR 288 Ca 0.58 0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 56.97 1f28 s TYR 288 Cb -0.11 -3.76 0.20 0.00 -0.11 0.00 0.00 41.96 38.18 1f28 s TYR 288 CO 0.46 -2.77 0.36 0.39 -1.11 0.00 0.00 175.55 172.89 1f28 n GLU 289 N -3.93 -2.49 -3.35 -0.62 4.71 -1.26 -3.48 120.64 110.22 1f28 n GLU 289 Ca 0.12 -0.72 -0.35 0.00 -0.01 0.00 0.00 57.16 56.19 1f28 n GLU 289 Cb 0.60 -1.73 -0.06 0.00 -1.01 0.00 0.00 31.44 29.24 1f28 n GLU 289 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1f28 s THR 290 N -2.19 4.85 -0.17 2.62 -1.32 -1.26 -3.12 115.64 115.05 1f28 s THR 290 Ca 0.54 0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 61.86 1f28 s THR 290 Cb -0.12 -3.74 -0.01 0.00 -1.51 0.00 0.00 72.50 67.12 1f28 s THR 290 CO 0.55 0.26 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.48 1f28 s ILE 291 N -1.44 2.99 -0.16 5.08 1.01 -1.26 -4.95 121.20 122.47 1f28 s ILE 291 Ca 0.37 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1f28 s ILE 291 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1f28 s ILE 291 CO 0.19 0.49 1.28 -0.54 0.00 0.00 0.00 174.94 176.36 1f28 s LYS 292 N 0.93 4.23 -0.25 2.79 1.02 -1.26 -5.00 119.74 122.21 1f28 s LYS 292 Ca -0.02 1.69 -0.02 0.00 0.02 0.00 0.00 55.97 57.64 1f28 s LYS 292 Cb -0.15 -3.77 0.08 0.00 -0.52 0.00 0.00 37.83 33.47 1f28 s LYS 292 CO -0.01 -0.70 0.06 -1.64 -0.92 0.00 0.00 175.35 172.14 1f28 s MET 293 N 3.47 0.69 0.17 1.68 -1.94 -1.26 -4.96 119.30 117.16 1f28 s MET 293 Ca 0.56 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.52 1f28 s MET 293 Cb -0.22 -2.01 -0.08 0.00 2.01 0.00 0.00 34.83 34.53 1f28 s MET 293 CO 0.16 -0.80 1.18 -1.59 -0.01 0.00 0.00 175.02 173.95 1f28 s LYS 294 N 1.76 4.50 0.53 2.03 0.00 -1.26 -4.91 119.74 122.40 1f28 s LYS 294 Ca 0.04 1.84 -0.21 0.00 0.00 0.00 0.00 55.97 57.64 1f28 s LYS 294 Cb -0.17 -3.26 -0.05 0.00 0.00 0.00 0.00 37.83 34.35 1f28 s LYS 294 CO -0.17 -0.07 1.22 1.41 0.00 0.00 0.00 175.35 177.74 1f28 s MET 295 N -0.16 3.30 -0.21 1.78 -2.45 -1.26 -4.94 119.30 115.38 1f28 s MET 295 Ca 0.53 1.87 0.15 0.00 -1.25 0.00 0.00 55.69 56.99 1f28 s MET 295 Cb -0.32 -2.16 0.71 0.00 1.25 0.00 0.00 34.83 34.31 1f28 s MET 295 CO 0.36 -0.95 1.62 0.43 1.05 0.00 0.00 175.02 177.53 1f28 n SER 296 N -1.08 5.00 0.00 1.11 7.64 -1.26 -5.23 113.62 119.80 1f28 n SER 296 Ca 0.11 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1f28 n SER 296 Cb 0.48 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1f28 n SER 296 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65