#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 1.54 -0.44 5.41 0.00 -1.96 0.35 119.26 124.16 1f28 h ALA 4 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1f28 h ALA 4 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1f28 h ALA 4 CO 0.00 0.34 -0.17 0.93 0.00 0.00 0.00 179.25 180.35 1f28 h GLU 5 N 0.29 0.89 0.00 0.00 5.08 -2.00 -1.94 114.58 116.89 1f28 h GLU 5 Ca 0.06 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1f28 h GLU 5 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1f28 h GLU 5 CO 0.01 1.02 -0.29 1.49 -1.00 0.00 0.00 179.01 180.24 1f28 h GLU 6 N 0.72 0.00 0.00 2.33 4.81 -1.76 -2.59 114.58 118.09 1f28 h GLU 6 Ca 0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1f28 h GLU 6 Cb 0.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1f28 h GLU 6 CO 0.06 0.29 -0.21 0.37 -0.73 0.00 0.00 179.01 178.79 1f28 h GLN 7 N 0.00 0.00 -0.19 1.92 5.75 -0.18 -2.48 115.11 119.92 1f28 h GLN 7 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1f28 h GLN 7 Cb 0.72 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1f28 h GLN 7 CO 0.04 0.21 0.11 1.96 -2.65 0.00 0.00 178.83 178.50 1f28 h GLN 8 N 0.00 0.22 -0.06 1.69 4.20 -1.08 0.27 115.11 120.35 1f28 h GLN 8 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1f28 h GLN 8 Cb 0.44 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1f28 h GLN 8 CO 0.03 0.15 0.03 -0.92 -0.67 0.00 0.00 178.83 177.45 1f28 h TYR 9 N 0.23 0.08 -0.66 2.96 5.03 -1.58 -1.64 116.97 121.38 1f28 h TYR 9 Ca 0.07 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1f28 h TYR 9 Cb -0.00 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 1f28 h TYR 9 CO -0.08 0.11 0.35 -0.07 -1.32 0.00 0.00 178.16 177.14 1f28 h LEU 10 N 0.03 0.85 -1.28 2.82 3.38 -1.23 -0.24 115.31 119.64 1f28 h LEU 10 Ca 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1f28 h LEU 10 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1f28 h LEU 10 CO -0.00 0.72 -0.02 0.78 0.09 0.00 0.00 178.44 180.00 1f28 h ASN 11 N 0.91 0.43 -0.28 -0.43 2.35 -0.32 -1.80 115.58 116.44 1f28 h ASN 11 Ca 0.23 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 1f28 h ASN 11 Cb 0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1f28 h ASN 11 CO -0.03 0.51 -0.20 0.25 -1.65 0.00 0.00 177.43 176.30 1f28 h LEU 12 N 0.44 0.66 -0.22 1.61 5.85 -0.56 -0.09 115.31 122.99 1f28 h LEU 12 Ca 0.09 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.41 1f28 h LEU 12 Cb 0.33 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1f28 h LEU 12 CO 0.01 0.96 -0.00 0.58 -0.34 0.00 0.00 178.44 179.65 1f28 h VAL 13 N 0.36 0.84 -0.71 1.05 2.07 -0.68 -1.00 116.25 118.18 1f28 h VAL 13 Ca 0.05 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1f28 h VAL 13 Cb 0.75 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1f28 h VAL 13 CO 0.05 0.01 0.25 -0.61 0.02 0.00 0.00 177.57 177.29 1f28 h GLN 14 N 0.06 1.09 -0.92 1.57 5.75 -1.24 -1.16 115.11 120.26 1f28 h GLN 14 Ca 0.11 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1f28 h GLN 14 Cb 0.14 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1f28 h GLN 14 CO -0.18 0.92 0.52 -0.92 -2.65 0.00 0.00 178.83 176.52 1f28 h TYR 15 N 1.03 1.24 -0.44 3.99 3.20 -0.54 -1.13 116.97 124.33 1f28 h TYR 15 Ca 0.23 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 1f28 h TYR 15 Cb 0.27 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1f28 h TYR 15 CO 0.02 0.84 -0.27 0.82 -1.64 0.00 0.00 178.16 177.94 1f28 h ILE 16 N 1.28 1.27 -0.83 1.81 2.04 -0.88 0.36 117.51 122.56 1f28 h ILE 16 Ca 0.32 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1f28 h ILE 16 Cb -0.00 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1f28 h ILE 16 CO -0.06 0.49 0.53 0.40 0.00 0.00 0.00 178.15 179.51 1f28 h ILE 17 N 0.79 1.11 0.00 -0.67 2.04 -0.71 0.98 117.51 121.05 1f28 h ILE 17 Ca 0.09 -0.35 -0.18 0.00 1.00 0.00 0.00 64.86 65.42 1f28 h ILE 17 Cb 0.84 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1f28 h ILE 17 CO 0.07 0.19 -1.29 0.78 0.00 0.00 0.00 178.15 177.90 1f28 h ASN 18 N 1.02 0.00 0.00 1.72 4.21 -0.95 -3.41 115.58 118.18 1f28 h ASN 18 Ca 0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.85 1f28 h ASN 18 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1f28 h ASN 18 CO -0.13 0.67 0.00 1.41 -1.29 0.00 0.00 177.43 178.09 1f28 n HIS 19 N -3.00 0.00 -2.07 1.19 8.25 0.12 -5.08 115.22 114.64 1f28 n HIS 19 Ca -0.08 -0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 56.90 1f28 n HIS 19 Cb 0.87 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.17 2.90 0.14 -1.41 0.00 0.33 -4.97 107.32 104.14 1f28 s GLY 20 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 44.72 45.60 1f28 s GLY 20 CO 0.00 1.75 1.23 -0.54 0.00 0.00 0.00 173.10 175.53 1f28 s GLU 21 N -2.37 4.45 -0.13 2.90 2.02 0.90 -4.53 118.70 121.93 1f28 s GLU 21 Ca 0.59 1.87 -0.27 0.00 0.02 0.00 0.00 54.97 57.18 1f28 s GLU 21 Cb -0.37 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 1f28 s GLU 21 CO 0.46 -0.19 0.91 0.34 0.02 0.00 0.00 175.26 176.80 1f28 s ASP 22 N 0.57 7.09 -0.11 -0.19 2.15 -1.26 -0.55 116.67 124.37 1f28 s ASP 22 Ca 0.56 1.34 -0.10 0.00 0.43 0.00 0.00 52.55 54.79 1f28 s ASP 22 Cb -0.32 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1f28 s ASP 22 CO 0.33 -0.41 0.29 0.00 -0.17 0.00 0.00 175.17 175.21 1f28 s ARG 23 N 2.01 0.33 0.46 4.34 1.70 -0.81 -5.00 118.95 121.98 1f28 s ARG 23 Ca 0.43 0.40 -0.23 0.00 -0.47 0.00 0.00 55.73 55.86 1f28 s ARG 23 Cb -0.17 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.27 1f28 s ARG 23 CO 0.15 -0.04 1.03 -2.30 -1.08 0.00 0.00 175.30 173.06 1f28 n PRO 24 N 2.96 1.34 -4.40 3.89 -0.02 -1.26 -3.20 135.00 134.32 1f28 n PRO 24 Ca -0.13 0.49 -0.25 0.00 -2.02 0.00 0.00 63.50 61.59 1f28 n PRO 24 Cb 0.58 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 1f28 n PRO 24 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1f28 s ASP 25 N -0.81 4.04 0.17 2.55 3.68 -1.17 -4.91 116.67 120.22 1f28 s ASP 25 Ca 0.65 -1.02 -0.05 0.00 2.13 0.00 0.00 52.55 54.26 1f28 s ASP 25 Cb -0.52 -0.49 0.05 0.00 -1.45 0.00 0.00 42.92 40.51 1f28 s ASP 25 CO 0.55 -0.19 1.46 0.08 0.13 0.00 0.00 175.17 177.20 1f28 h ARG 26 N 1.90 0.60 0.00 4.34 0.11 -1.96 -2.69 114.38 116.69 1f28 h ARG 26 Ca -0.42 -0.41 0.00 0.00 0.10 0.00 0.00 59.98 59.25 1f28 h ARG 26 Cb 1.25 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1f28 h ARG 26 CO 0.67 1.02 0.00 0.25 0.10 0.00 0.00 179.97 182.01 1f28 n THR 27 N -3.94 0.94 0.00 0.08 -2.24 -1.26 -4.85 114.28 103.01 1f28 n THR 27 Ca -0.04 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1f28 n THR 27 Cb 0.64 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.32 2.98 3.78 3.38 0.00 -1.02 -4.99 105.19 109.01 1f28 n GLY 28 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.83 2.55 0.44 2.61 2.01 -1.26 -4.71 115.64 115.45 1f28 s THR 29 Ca 0.00 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1f28 s THR 29 Cb 0.00 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1f28 s THR 29 CO 0.00 -0.23 0.62 -0.83 -0.69 0.00 0.00 174.62 173.49 1f28 s GLY 30 N -3.88 1.70 0.07 4.40 0.00 -1.26 -3.02 107.32 105.34 1f28 s GLY 30 Ca 0.62 -1.34 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 1f28 s GLY 30 CO 0.54 -1.16 0.27 -0.51 0.00 0.00 0.00 173.10 172.25 1f28 s THR 31 N -2.46 0.10 -0.13 0.90 -4.23 -1.19 -1.99 115.64 106.64 1f28 s THR 31 Ca 0.51 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1f28 s THR 31 Cb -0.10 -1.12 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 1f28 s THR 31 CO 0.35 -0.47 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.17 1f28 s LEU 32 N -2.48 3.28 0.00 4.79 1.43 -0.25 -1.93 118.68 123.52 1f28 s LEU 32 Ca -0.00 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1f28 s LEU 32 Cb 0.02 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1f28 s LEU 32 CO -0.08 0.24 0.05 -0.55 0.23 0.00 0.00 176.35 176.24 1f28 s SER 33 N -0.04 0.10 0.01 2.29 0.15 0.28 -0.79 113.70 115.71 1f28 s SER 33 Ca 0.01 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1f28 s SER 33 Cb -0.13 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1f28 s SER 33 CO 0.03 -0.26 -0.10 -0.69 1.20 0.00 0.00 173.24 173.42 1f28 s VAL 34 N -1.08 0.78 -0.18 4.45 1.01 0.32 -0.07 120.40 125.63 1f28 s VAL 34 Ca -0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1f28 s VAL 34 Cb -0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1f28 s VAL 34 CO 0.00 0.07 0.10 0.12 0.00 0.00 0.00 175.10 175.39 1f28 s PHE 35 N -0.52 3.36 -1.21 5.22 5.36 -1.26 -0.50 117.98 128.42 1f28 s PHE 35 Ca 0.01 0.24 -0.06 0.00 -0.96 0.00 0.00 56.93 56.17 1f28 s PHE 35 Cb -0.05 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.51 1f28 s PHE 35 CO 0.00 0.28 0.78 0.00 -1.46 0.00 0.00 175.22 174.83 1f28 n ALA 36 N 3.35 -2.23 -1.40 11.12 0.00 -0.08 -4.99 120.51 126.28 1f28 n ALA 36 Ca -0.17 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 1f28 n ALA 36 Cb 0.52 -3.22 0.15 0.00 0.00 0.00 0.00 19.45 16.91 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 -5.63 0.94 0.30 0.00 0.04 -1.26 -4.94 135.00 124.46 1f28 s PRO 37 Ca 0.20 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 1f28 s PRO 37 Cb -0.05 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 1f28 s PRO 37 CO 0.80 -2.36 1.58 0.43 0.04 0.00 0.00 177.00 177.50 1f28 n SER 38 N -3.90 3.83 -4.71 6.66 7.64 -1.26 -4.65 113.62 117.23 1f28 n SER 38 Ca 0.06 1.15 -0.38 0.00 1.01 0.00 0.00 58.87 60.72 1f28 n SER 38 Cb 0.58 -1.59 0.06 0.00 -1.01 0.00 0.00 64.21 62.25 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 2.00 1.21 -3.49 1.43 -0.02 -1.26 -4.94 135.00 129.94 1f28 n PRO 39 Ca 0.08 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1f28 n PRO 39 Cb 0.37 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 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 -3.63 4.46 -0.04 2.45 1.43 -0.78 -4.90 118.68 117.68 1f28 s LEU 40 Ca 0.79 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.89 1f28 s LEU 40 Cb -0.40 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1f28 s LEU 40 CO 0.44 0.30 -0.20 -0.75 0.23 0.00 0.00 176.35 176.38 1f28 s LYS 41 N -0.96 1.86 -0.05 1.70 2.20 -1.26 -0.25 119.74 122.98 1f28 s LYS 41 Ca 0.24 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1f28 s LYS 41 Cb -0.17 -1.67 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1f28 s LYS 41 CO 0.13 0.34 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.28 1f28 s PHE 42 N -0.19 1.36 -0.08 4.03 0.08 0.11 -4.93 117.98 118.36 1f28 s PHE 42 Ca 0.01 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.42 1f28 s PHE 42 Cb -0.10 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 1f28 s PHE 42 CO 0.01 -0.19 0.61 0.45 -0.10 0.00 0.00 175.22 176.00 1f28 s SER 43 N 0.36 6.87 -0.01 1.36 0.15 -1.26 -0.42 113.70 120.74 1f28 s SER 43 Ca -0.08 1.04 0.21 0.00 0.70 0.00 0.00 55.95 57.82 1f28 s SER 43 Cb -0.12 -2.36 0.61 0.00 -1.71 0.00 0.00 66.02 62.44 1f28 s SER 43 CO 0.02 -0.05 1.51 0.18 1.20 0.00 0.00 173.24 176.10 1f28 n LEU 44 N 3.66 3.91 -4.81 3.45 4.32 0.67 -4.66 117.00 123.54 1f28 n LEU 44 Ca -0.04 -2.05 -0.30 0.00 -0.02 0.00 0.00 56.01 53.60 1f28 n LEU 44 Cb 0.51 -0.47 0.08 0.00 -1.62 0.00 0.00 43.42 41.92 1f28 n LEU 44 CO 0.45 0.94 0.71 -0.13 -1.22 0.00 0.00 177.39 178.15 1f28 s ARG 45 N -1.09 2.34 -1.46 3.23 0.52 -1.25 -3.55 118.95 117.70 1f28 s ARG 45 Ca 0.46 0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 56.39 1f28 s ARG 45 Cb 0.25 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.78 1f28 s ARG 45 CO 0.30 -1.46 0.08 0.09 0.02 0.00 0.00 175.30 174.34 1f28 n ASN 46 N -3.34 -5.05 -1.08 0.23 3.02 -1.26 -1.19 115.26 106.60 1f28 n ASN 46 Ca 0.07 0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.50 1f28 n ASN 46 Cb 0.55 -4.22 -0.06 0.00 -0.61 0.00 0.00 39.78 35.45 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 -3.07 -1.49 -1.98 3.52 5.02 -1.23 -4.91 118.16 114.02 1f28 n LYS 47 Ca -0.18 0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 56.68 1f28 n LYS 47 Cb 0.65 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 30.30 1f28 n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1f28 s THR 48 N -2.26 2.60 -0.19 -0.18 2.01 -0.33 -0.39 115.64 116.90 1f28 s THR 48 Ca 0.00 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.50 1f28 s THR 48 Cb 0.00 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.24 1f28 s THR 48 CO 0.00 0.07 -0.10 0.12 -0.69 0.00 0.00 174.62 174.02 1f28 s PHE 49 N 0.19 2.28 -0.84 4.92 5.36 -0.66 -4.44 117.98 124.79 1f28 s PHE 49 Ca 0.61 -1.47 -0.18 0.00 -0.96 0.00 0.00 56.93 54.93 1f28 s PHE 49 Cb -0.43 -1.59 -0.13 0.00 -0.34 0.00 0.00 43.02 40.54 1f28 s PHE 49 CO 0.42 -0.72 1.98 -0.35 -1.46 0.00 0.00 175.22 175.09 1f28 n PRO 50 N 4.72 1.70 -3.56 10.12 -0.04 -1.26 -3.76 135.00 142.92 1f28 n PRO 50 Ca -0.15 -1.81 -0.40 0.00 -0.04 0.00 0.00 63.50 61.10 1f28 n PRO 50 Cb 0.47 -2.84 -0.11 0.00 -0.04 0.00 0.00 33.50 30.98 1f28 n PRO 50 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1f28 s LEU 51 N 1.00 4.54 0.21 1.53 2.96 -1.26 -4.36 118.68 123.30 1f28 s LEU 51 Ca 0.53 -0.59 -0.32 0.00 -0.22 0.00 0.00 54.13 53.53 1f28 s LEU 51 Cb 0.14 -2.10 -0.15 0.00 0.50 0.00 0.00 46.19 44.58 1f28 s LEU 51 CO 0.08 -0.28 1.24 0.18 -1.32 0.00 0.00 176.35 176.25 1f28 n LEU 52 N 5.07 2.15 -0.06 -0.68 4.32 -1.26 -4.69 117.00 121.86 1f28 n LEU 52 Ca -0.13 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.01 1f28 n LEU 52 Cb 0.49 -1.30 -0.16 0.00 -1.62 0.00 0.00 43.42 40.82 1f28 n LEU 52 CO 0.37 -1.00 -0.96 0.35 -1.22 0.00 0.00 177.39 174.92 1f28 n THR 53 N 1.53 0.71 0.73 -5.08 -2.24 -1.26 -4.33 114.28 104.34 1f28 n THR 53 Ca 0.13 -0.68 0.07 0.00 -2.27 0.00 0.00 64.05 61.30 1f28 n THR 53 Cb 0.28 -0.23 0.38 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.49 -3.60 4.28 -2.24 -1.26 -0.89 114.28 108.54 1f28 n THR 54 Ca -0.19 0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 1f28 n THR 54 Cb 0.87 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.46 0.53 -0.07 -0.78 2.20 -1.26 -4.61 119.74 113.28 1f28 s LYS 55 Ca 0.15 1.27 -0.36 0.00 -0.36 0.00 0.00 55.97 56.67 1f28 s LYS 55 Cb 0.10 0.68 -0.14 0.00 -1.51 0.00 0.00 37.83 36.96 1f28 s LYS 55 CO 0.21 -0.17 1.73 -2.13 -0.36 0.00 0.00 175.35 174.63 1f28 n ARG 56 N 5.17 1.78 -3.87 4.03 0.63 -1.22 -4.79 116.66 118.38 1f28 n ARG 56 Ca -0.13 0.65 -0.35 0.00 -0.92 0.00 0.00 57.85 57.10 1f28 n ARG 56 Cb 0.51 -2.41 -0.09 0.00 0.45 0.00 0.00 32.46 30.92 1f28 n ARG 56 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1f28 s VAL 57 N 2.94 5.05 -1.07 5.15 1.01 -1.26 -4.75 120.40 127.47 1f28 s VAL 57 Ca 0.91 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.71 1f28 s VAL 57 Cb -0.82 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1f28 s VAL 57 CO 0.52 0.44 1.96 0.12 0.00 0.00 0.00 175.10 178.14 1f28 s PHE 58 N 0.44 1.85 0.36 5.22 5.99 -1.26 -4.74 117.98 125.84 1f28 s PHE 58 Ca 0.05 0.64 0.18 0.00 0.00 0.00 0.00 56.93 57.81 1f28 s PHE 58 Cb -0.12 -3.97 0.98 0.00 0.00 0.00 0.00 43.02 39.91 1f28 s PHE 58 CO -0.00 -1.37 1.91 0.97 -0.00 0.00 0.00 175.22 176.72 1f28 h ILE 59 N 6.61 0.96 -0.44 3.12 6.09 -1.99 -2.17 117.51 129.69 1f28 h ILE 59 Ca 0.16 -1.00 -0.08 0.00 -1.37 0.00 0.00 64.86 62.58 1f28 h ILE 59 Cb 0.97 1.57 -0.02 0.00 0.47 0.00 0.00 36.82 39.81 1f28 h ILE 59 CO 1.20 0.26 -0.04 -0.09 -3.07 0.00 0.00 178.15 176.41 1f28 h ARG 60 N 0.00 0.75 -0.22 2.19 2.43 -2.00 -0.42 114.38 117.11 1f28 h ARG 60 Ca -0.00 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.84 1f28 h ARG 60 Cb 0.55 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1f28 h ARG 60 CO 0.03 0.79 -0.36 0.78 -1.51 0.00 0.00 179.97 179.70 1f28 h GLY 61 N 0.97 0.51 0.80 2.80 0.00 -1.80 -1.22 103.07 105.13 1f28 h GLY 61 Ca 0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1f28 h GLY 61 CO 0.02 0.43 -0.02 -2.08 0.00 0.00 0.00 176.54 174.90 1f28 h VAL 62 N 0.40 1.11 -0.31 4.60 2.07 -0.90 -1.27 116.25 121.95 1f28 h VAL 62 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1f28 h VAL 62 Cb 0.82 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1f28 h VAL 62 CO 0.07 0.12 0.16 0.40 0.02 0.00 0.00 177.57 178.34 1f28 h ILE 63 N -0.26 1.14 -0.48 4.57 2.04 -0.97 -1.55 117.51 122.00 1f28 h ILE 63 Ca -0.01 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1f28 h ILE 63 Cb 0.24 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1f28 h ILE 63 CO 0.01 0.14 0.19 -0.08 0.00 0.00 0.00 178.15 178.41 1f28 h GLU 64 N 0.37 0.71 -0.49 2.37 4.57 -1.22 0.33 114.58 121.23 1f28 h GLU 64 Ca 0.11 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1f28 h GLU 64 Cb 0.08 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1f28 h GLU 64 CO -0.02 0.64 0.33 1.49 -1.18 0.00 0.00 179.01 180.27 1f28 h GLU 65 N 0.63 0.65 -0.36 1.92 4.81 -1.12 -1.03 114.58 120.08 1f28 h GLU 65 Ca 0.16 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1f28 h GLU 65 Cb 0.19 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1f28 h GLU 65 CO -0.01 0.43 0.23 1.25 -0.73 0.00 0.00 179.01 180.17 1f28 h LEU 66 N 0.66 0.38 -1.42 1.64 6.46 -0.95 0.14 115.31 122.22 1f28 h LEU 66 Ca 0.18 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1f28 h LEU 66 Cb -0.08 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1f28 h LEU 66 CO -0.04 0.28 0.30 -0.07 -0.62 0.00 0.00 178.44 178.28 1f28 h LEU 67 N 0.46 0.60 -0.21 2.25 4.07 -0.64 -0.76 115.31 121.09 1f28 h LEU 67 Ca 0.14 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 1f28 h LEU 67 Cb -0.03 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 1f28 h LEU 67 CO -0.05 0.47 -0.10 -0.25 -1.08 0.00 0.00 178.44 177.44 1f28 h TRP 68 N 0.70 0.50 -0.10 1.13 7.01 -0.47 -2.08 115.95 122.63 1f28 h TRP 68 Ca 0.18 -0.12 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1f28 h TRP 68 Cb -0.01 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 1f28 h TRP 68 CO 0.00 0.72 -0.16 0.74 -2.79 0.00 0.00 178.44 176.96 1f28 h PHE 69 N 0.13 -0.41 -0.01 2.65 0.04 -0.01 -2.28 116.94 117.06 1f28 h PHE 69 Ca 0.05 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1f28 h PHE 69 Cb 0.59 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 1f28 h PHE 69 CO 0.06 -0.23 0.01 0.82 -0.60 0.00 0.00 178.31 178.37 1f28 h ILE 70 N -0.21 1.00 0.00 -0.55 2.04 -1.09 0.60 117.51 119.30 1f28 h ILE 70 Ca 0.09 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1f28 h ILE 70 Cb 0.33 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1f28 h ILE 70 CO -0.23 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.47 1f28 n ARG 71 N -4.54 0.66 -1.49 2.37 1.74 -0.79 -4.87 116.66 109.75 1f28 n ARG 71 Ca -0.03 0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1f28 n ARG 71 Cb 0.09 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.99 0.59 3.80 -0.13 0.00 0.20 -5.02 105.19 105.63 1f28 n GLY 72 Ca 0.18 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.11 4.44 -0.00 1.61 0.41 -1.04 -4.11 118.70 116.90 1f28 s GLU 73 Ca 0.00 1.14 0.00 0.00 -0.41 0.00 0.00 54.97 55.70 1f28 s GLU 73 Cb 0.00 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 1f28 s GLU 73 CO 0.00 0.32 0.73 0.25 -0.49 0.00 0.00 175.26 176.06 1f28 n THR 74 N 0.59 0.43 -3.32 3.63 -2.24 -1.26 -4.55 114.28 107.56 1f28 n THR 74 Ca 0.00 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 1f28 n THR 74 Cb 0.51 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.49 6.18 0.57 3.42 3.68 -1.26 -1.31 116.67 127.46 1f28 s ASP 75 Ca 0.01 -0.86 0.38 0.00 2.13 0.00 0.00 52.55 54.20 1f28 s ASP 75 Cb 0.01 -2.22 1.94 0.00 -1.45 0.00 0.00 42.92 41.20 1f28 s ASP 75 CO 0.00 -0.63 2.15 0.77 0.13 0.00 0.00 175.17 177.59 1f28 h SER 76 N 8.77 0.00 0.15 -0.34 4.64 -1.27 -2.02 113.55 123.48 1f28 h SER 76 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1f28 h SER 76 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1f28 h SER 76 CO 0.83 0.00 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.52 1f28 h LEU 77 N 0.00 0.10 -1.21 5.97 3.38 -1.93 -0.80 115.31 120.82 1f28 h LEU 77 Ca 0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1f28 h LEU 77 Cb 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1f28 h LEU 77 CO 0.00 0.31 0.55 0.11 0.09 0.00 0.00 178.44 179.50 1f28 h LYS 78 N 0.10 0.96 0.01 1.13 6.56 -1.76 0.45 116.57 124.01 1f28 h LYS 78 Ca 0.02 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.39 1f28 h LYS 78 Cb 0.42 -0.22 0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1f28 h LYS 78 CO 0.03 0.63 -0.62 -0.07 -2.06 0.00 0.00 179.45 177.37 1f28 h LEU 79 N 0.99 0.53 -1.05 2.94 4.07 -1.49 -3.27 115.31 118.02 1f28 h LEU 79 Ca 0.35 -0.77 0.12 0.00 0.08 0.00 0.00 57.88 57.65 1f28 h LEU 79 Cb 0.13 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 41.62 1f28 h LEU 79 CO -0.11 1.23 0.63 -0.09 -1.08 0.00 0.00 178.44 179.01 1f28 h ARG 80 N -0.11 0.95 0.00 1.13 2.43 -0.47 0.10 114.38 118.40 1f28 h ARG 80 Ca -0.08 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1f28 h ARG 80 Cb 1.33 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1f28 h ARG 80 CO 0.12 0.63 -0.00 0.93 -1.51 0.00 0.00 179.97 180.14 1f28 h GLU 81 N 0.98 0.00 -0.60 0.20 5.08 -0.99 0.47 114.58 119.72 1f28 h GLU 81 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1f28 h GLU 81 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1f28 h GLU 81 CO -0.25 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.39 1f28 n LYS 82 N -3.56 4.15 -3.42 2.33 5.02 0.28 -4.94 118.16 118.04 1f28 n LYS 82 Ca -0.03 -2.99 -0.22 0.00 -2.02 0.00 0.00 58.31 53.05 1f28 n LYS 82 Cb 0.08 -2.03 0.07 0.00 -0.02 0.00 0.00 35.03 33.12 1f28 n LYS 82 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1f28 n ASN 83 N 0.84 -5.97 -4.13 4.39 3.02 0.16 -5.00 115.26 108.56 1f28 n ASN 83 Ca 0.26 -0.46 -0.33 0.00 -0.03 0.00 0.00 54.58 54.03 1f28 n ASN 83 Cb 1.01 -4.62 -0.16 0.00 -0.61 0.00 0.00 39.78 35.41 1f28 n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1f28 s ILE 84 N -3.27 2.25 -0.91 2.41 1.01 -0.80 -5.00 121.20 116.89 1f28 s ILE 84 Ca 0.50 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 60.22 1f28 s ILE 84 Cb -0.22 -2.03 0.17 0.00 0.01 0.00 0.00 42.46 40.39 1f28 s ILE 84 CO 0.61 0.42 1.02 1.41 0.00 0.00 0.00 174.94 178.40 1f28 n HIS 85 N 4.61 0.21 0.25 3.97 8.25 -1.26 -2.83 115.22 128.41 1f28 n HIS 85 Ca -0.19 -0.28 0.16 0.00 -0.26 0.00 0.00 57.72 57.15 1f28 n HIS 85 Cb 0.49 -0.02 0.87 0.00 1.12 0.00 0.00 29.99 32.45 1f28 n HIS 85 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1f28 h ILE 86 N 1.68 0.47 -0.02 1.59 5.03 -1.98 -2.48 117.51 121.80 1f28 h ILE 86 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1f28 h ILE 86 Cb 0.55 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 1f28 h ILE 86 CO 0.00 0.00 -0.35 0.79 -0.68 0.00 0.00 178.15 177.91 1f28 n TRP 87 N -3.78 0.00 -0.17 1.37 7.02 -1.26 -4.51 117.44 116.10 1f28 n TRP 87 Ca -0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.41 1f28 n TRP 87 Cb 0.23 -0.02 0.03 0.00 -2.42 0.00 0.00 31.31 29.13 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 2.62 0.54 -0.55 -0.99 3.45 -1.77 -2.55 116.42 117.17 1f28 h ASP 88 Ca 0.00 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1f28 h ASP 88 Cb 0.75 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 1f28 h ASP 88 CO 0.00 0.39 0.21 0.00 -1.57 0.00 0.00 179.24 178.27 1f28 h ALA 89 N 1.20 0.71 0.00 3.45 0.00 -1.79 -1.78 119.26 121.06 1f28 h ALA 89 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1f28 h ALA 89 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1f28 h ALA 89 CO -0.06 0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1f28 n ASN 90 N -4.50 0.00 -0.54 0.00 4.13 -1.17 -2.56 115.26 110.62 1f28 n ASN 90 Ca 0.03 0.25 0.09 0.00 1.68 0.00 0.00 54.58 56.63 1f28 n ASN 90 Cb 0.16 -0.41 0.03 0.00 -1.54 0.00 0.00 39.78 38.03 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 0.85 0.17 3.77 7.41 0.00 -0.90 -4.61 105.19 111.88 1f28 n GLY 91 Ca 0.08 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.78 5.58 0.20 1.61 1.04 -0.72 -0.45 113.70 119.17 1f28 s SER 92 Ca 0.17 2.15 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 1f28 s SER 92 Cb 0.14 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.92 1f28 s SER 92 CO 0.34 -1.31 1.71 -0.09 0.98 0.00 0.00 173.24 174.86 1f28 h ARG 93 N 0.95 0.22 0.17 4.02 9.65 -1.91 -0.00 114.38 127.47 1f28 h ARG 93 Ca -0.49 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1f28 h ARG 93 Cb 1.26 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 1f28 h ARG 93 CO 0.56 0.15 -0.29 1.49 2.80 0.00 0.00 179.97 184.68 1f28 h GLU 94 N 0.23 -0.52 -0.13 0.20 4.81 -1.93 -1.13 114.58 116.11 1f28 h GLU 94 Ca 0.28 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1f28 h GLU 94 Cb 0.40 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1f28 h GLU 94 CO -0.37 -0.35 0.08 -0.92 -0.73 0.00 0.00 179.01 176.72 1f28 h TYR 95 N -0.54 0.18 -0.55 0.92 3.20 -1.69 -1.54 116.97 116.94 1f28 h TYR 95 Ca 0.02 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1f28 h TYR 95 Cb 0.54 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.66 1f28 h TYR 95 CO -0.24 0.16 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.35 1f28 h LEU 96 N 0.14 -0.29 -1.05 2.82 4.07 -0.86 -0.21 115.31 119.92 1f28 h LEU 96 Ca 0.05 0.14 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1f28 h LEU 96 Cb 0.04 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1f28 h LEU 96 CO -0.01 -0.11 -0.24 0.44 -1.08 0.00 0.00 178.44 177.45 1f28 h ASP 97 N 0.09 0.39 0.16 -0.43 3.32 -1.02 -0.21 116.42 118.72 1f28 h ASP 97 Ca 0.28 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1f28 h ASP 97 Cb 0.44 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1f28 h ASP 97 CO -0.49 0.63 -0.01 0.77 -1.72 0.00 0.00 179.24 178.42 1f28 h SER 98 N 0.35 0.00 -0.21 6.45 4.64 0.01 0.87 113.55 125.66 1f28 h SER 98 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1f28 h SER 98 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1f28 h SER 98 CO 0.04 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 1f28 n ILE 99 N -3.22 2.07 -1.00 0.95 -5.35 -0.93 -4.98 119.36 106.90 1f28 n ILE 99 Ca -0.02 -1.86 0.00 0.00 -0.27 0.00 0.00 62.75 60.60 1f28 n ILE 99 Cb 0.11 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 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 -0.60 0.58 2.71 3.28 0.00 0.30 -4.96 105.19 106.50 1f28 n GLY 100 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 7.24 0.14 0.99 4.77 -0.13 -4.75 117.00 125.26 1f28 n LEU 101 Ca 0.00 -5.01 0.12 0.00 -0.03 0.00 0.00 56.01 51.10 1f28 n LEU 101 Cb 0.00 -1.33 0.50 0.00 -2.33 0.00 0.00 43.42 40.26 1f28 n LEU 101 CO 0.00 1.82 0.87 0.71 -1.33 0.00 0.00 177.39 179.46 1f28 h THR 102 N 2.95 0.00 -0.17 -5.08 1.35 -1.87 -2.89 112.91 107.20 1f28 h THR 102 Ca 0.49 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1f28 h THR 102 Cb 0.45 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1f28 h THR 102 CO 1.42 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.98 1f28 n LYS 103 N -2.31 1.82 -3.12 4.72 5.02 -1.26 -4.95 118.16 118.08 1f28 n LYS 103 Ca 0.02 -1.78 -0.39 0.00 -2.02 0.00 0.00 58.31 54.14 1f28 n LYS 103 Cb 0.25 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.33 4.40 0.39 1.97 6.06 -1.09 -5.04 118.95 124.31 1f28 s ARG 104 Ca 0.25 0.77 -0.25 0.00 -2.50 0.00 0.00 55.73 54.00 1f28 s ARG 104 Cb 0.16 -3.43 -0.09 0.00 0.06 0.00 0.00 34.95 31.65 1f28 s ARG 104 CO 0.23 0.13 1.15 -0.65 -2.50 0.00 0.00 175.30 173.65 1f28 s GLN 105 N 0.62 4.13 0.25 5.12 -1.52 -1.26 -4.93 119.66 122.06 1f28 s GLN 105 Ca 0.34 1.79 -0.31 0.00 -1.95 0.00 0.00 55.36 55.23 1f28 s GLN 105 Cb -0.17 -2.71 -0.13 0.00 -0.22 0.00 0.00 33.01 29.78 1f28 s GLN 105 CO 0.16 -0.24 1.43 -1.91 -0.25 0.00 0.00 175.29 174.49 1f28 n GLU 106 N 0.16 2.15 0.00 2.91 2.13 -1.26 -1.44 120.64 125.29 1f28 n GLU 106 Ca 0.04 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1f28 n GLU 106 Cb 0.47 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.74 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 2.11 3.31 3.52 8.31 0.00 0.40 -4.96 105.19 117.88 1f28 n GLY 107 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.53 6.35 0.00 1.61 -1.08 -0.52 -0.70 116.67 121.79 1f28 s ASP 108 Ca 0.00 -1.12 0.14 0.00 -0.52 0.00 0.00 52.55 51.05 1f28 s ASP 108 Cb 0.00 -2.51 0.59 0.00 -1.46 0.00 0.00 42.92 39.54 1f28 s ASP 108 CO 0.00 -1.54 1.44 0.18 0.52 0.00 0.00 175.17 175.76 1f28 n LEU 109 N 8.50 0.00 0.00 -1.34 4.77 -0.43 -4.82 117.00 123.68 1f28 n LEU 109 Ca 0.15 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1f28 n LEU 109 Cb 0.49 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1f28 n LEU 109 CO 0.65 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1f28 n GLY 110 N -0.08 -2.63 2.70 -0.72 0.00 -1.26 -0.95 105.19 102.25 1f28 n GLY 110 Ca 0.03 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.23 2.75 -0.35 1.61 -0.04 -1.26 -4.80 135.00 132.68 1f28 n PRO 111 Ca 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1f28 n PRO 111 Cb 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 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 4.89 0.00 0.00 0.52 -5.35 -1.26 -4.54 119.36 113.62 1f28 n ILE 112 Ca 0.56 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.04 1f28 n ILE 112 Cb 0.34 -1.61 0.00 0.00 -1.74 0.00 0.00 39.64 36.63 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 -1.44 0.00 -0.34 4.28 4.01 -1.26 -0.86 117.16 121.55 1f28 n TYR 113 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1f28 n TYR 113 Cb 0.00 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.35 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 1.73 0.94 2.72 0.00 -1.80 0.16 103.07 106.82 1f28 h GLY 114 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1f28 h GLY 114 CO 0.00 -0.10 -0.00 -2.75 0.00 0.00 0.00 176.54 173.68 1f28 h PHE 115 N 0.69 0.74 -0.54 5.60 3.04 -1.15 -2.29 116.94 123.04 1f28 h PHE 115 Ca 0.57 -0.13 -0.09 0.00 3.98 0.00 0.00 57.97 62.30 1f28 h PHE 115 Cb 0.93 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 1f28 h PHE 115 CO -0.03 0.77 -0.02 1.96 -2.02 0.00 0.00 178.31 178.97 1f28 h GLN 116 N 0.50 0.93 -0.75 1.11 1.08 -0.44 0.35 115.11 117.88 1f28 h GLN 116 Ca 0.11 -0.28 0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1f28 h GLN 116 Cb 0.48 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1f28 h GLN 116 CO 0.02 0.93 0.50 -1.49 -0.95 0.00 0.00 178.83 177.84 1f28 h TRP 117 N 0.85 0.95 0.00 2.96 4.06 -0.58 -2.59 115.95 121.59 1f28 h TRP 117 Ca 0.15 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1f28 h TRP 117 Cb 0.53 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1f28 h TRP 117 CO 0.03 0.60 -1.43 0.54 -3.56 0.00 0.00 178.44 174.62 1f28 n ARG 118 N -4.56 0.52 -2.81 0.49 5.12 -0.88 -1.25 116.66 113.30 1f28 n ARG 118 Ca 0.07 -0.09 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 1f28 n ARG 118 Cb 0.02 -1.46 0.06 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 -1.84 0.63 -1.64 -1.55 8.25 0.12 -3.44 115.22 115.76 1f28 n HIS 119 Ca 0.00 -2.07 -0.51 0.00 -0.26 0.00 0.00 57.72 54.88 1f28 n HIS 119 Cb 0.42 0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.77 1.89 0.00 4.41 -0.00 -0.64 -1.05 117.46 121.30 1f28 n PHE 120 Ca 0.02 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.93 1f28 n PHE 120 Cb 0.82 -2.44 0.00 0.00 -0.00 0.00 0.00 39.48 37.85 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 3.18 1.97 3.76 7.13 0.00 -1.26 -0.77 105.19 119.20 1f28 n GLY 121 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.33 2.52 -0.31 4.61 0.00 -0.21 -4.80 121.76 121.24 1f28 s ALA 122 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 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 -1.15 1.11 -2.00 0.00 0.00 0.00 175.76 173.72 1f28 s GLU 123 N -3.69 4.05 0.09 0.00 2.12 -1.26 -4.99 118.70 115.01 1f28 s GLU 123 Ca 0.71 1.11 -0.30 0.00 0.36 0.00 0.00 54.97 56.84 1f28 s GLU 123 Cb -0.24 -3.76 -0.06 0.00 0.26 0.00 0.00 34.13 30.34 1f28 s GLU 123 CO 0.36 -0.93 1.11 -0.47 -0.54 0.00 0.00 175.26 174.78 1f28 s TYR 124 N 3.76 3.56 0.00 5.30 5.04 -1.26 -4.94 117.35 128.81 1f28 s TYR 124 Ca 0.47 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 1f28 s TYR 124 Cb -0.13 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 38.90 1f28 s TYR 124 CO 0.17 -0.69 0.00 -0.89 -1.34 0.00 0.00 175.55 172.79 1f28 n ILE 125 N 3.32 0.00 -3.94 3.14 5.41 -1.26 -5.08 119.36 120.95 1f28 n ILE 125 Ca 0.06 0.22 -0.11 0.00 1.00 0.00 0.00 62.75 63.92 1f28 n ILE 125 Cb 0.47 -1.18 -0.01 0.00 -0.71 0.00 0.00 39.64 38.21 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 -3.58 0.27 0.00 4.38 1.47 -1.26 -5.04 116.67 112.90 1f28 s ASP 126 Ca 0.00 -1.17 0.11 0.00 1.18 0.00 0.00 52.55 52.68 1f28 s ASP 126 Cb 0.00 0.73 0.68 0.00 -0.34 0.00 0.00 42.92 43.99 1f28 s ASP 126 CO 0.00 -1.44 1.31 0.00 0.68 0.00 0.00 175.17 175.73 1f28 n LYS 128 N -0.71 1.27 -3.32 0.00 5.02 -1.26 -4.67 118.16 114.49 1f28 n LYS 128 Ca 0.09 -1.26 -0.34 0.00 -2.02 0.00 0.00 58.31 54.77 1f28 n LYS 128 Cb 0.04 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1f28 n LYS 128 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1f28 s THR 129 N -0.70 4.82 -0.51 -0.18 -4.23 -1.12 -5.02 115.64 108.70 1f28 s THR 129 Ca 0.08 0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 61.11 1f28 s THR 129 Cb 0.05 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.22 1f28 s THR 129 CO 0.07 0.08 1.03 0.21 -0.54 0.00 0.00 174.62 175.47 1f28 s ASN 130 N -1.98 6.48 0.00 3.99 2.47 -1.26 -4.90 114.94 119.74 1f28 s ASN 130 Ca 0.44 0.09 0.20 0.00 0.42 0.00 0.00 52.86 54.00 1f28 s ASN 130 Cb -0.13 -2.49 0.53 0.00 -1.45 0.00 0.00 41.25 37.70 1f28 s ASN 130 CO 0.20 -1.22 1.44 -1.22 -3.72 0.00 0.00 177.10 172.58 1f28 n TYR 131 N 7.63 0.61 -1.54 0.43 4.01 -1.26 -5.00 117.16 122.04 1f28 n TYR 131 Ca 0.07 -0.30 -0.52 0.00 -0.16 0.00 0.00 57.90 56.98 1f28 n TYR 131 Cb 0.48 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 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 1.12 0.60 -0.35 -0.72 3.06 -1.26 -0.74 119.36 121.07 1f28 n ILE 132 Ca 0.19 -0.15 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1f28 n ILE 132 Cb 0.49 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 40.17 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 1.97 1.58 3.88 4.50 0.00 -1.26 -5.00 105.19 110.86 1f28 n GLY 133 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.11 3.69 0.96 1.61 -0.21 0.08 -4.98 119.66 120.70 1f28 s GLN 134 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.44 1f28 s GLN 134 Cb 0.00 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1f28 s GLN 134 CO 0.00 0.56 0.00 0.41 -2.12 0.00 0.00 175.29 174.14 1f28 n GLY 135 N 0.75 -1.72 3.67 3.09 0.00 -1.26 -4.44 105.19 105.28 1f28 n GLY 135 Ca -0.07 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 1f28 n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f28 s VAL 136 N -0.73 5.27 -1.09 1.61 1.01 0.05 -4.72 120.40 121.81 1f28 s VAL 136 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1f28 s VAL 136 Cb 0.00 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.90 1f28 s VAL 136 CO 0.00 0.30 1.32 -0.62 0.00 0.00 0.00 175.10 176.10 1f28 s ASP 137 N 0.98 6.85 0.23 3.32 3.68 -1.22 -1.63 116.67 128.89 1f28 s ASP 137 Ca 0.14 -2.51 -0.07 0.00 2.13 0.00 0.00 52.55 52.24 1f28 s ASP 137 Cb -0.14 -2.41 0.30 0.00 -1.45 0.00 0.00 42.92 39.21 1f28 s ASP 137 CO 0.06 -0.93 1.85 1.56 0.13 0.00 0.00 175.17 177.84 1f28 h GLN 138 N 7.98 0.92 -0.23 4.34 4.20 -1.43 -1.23 115.11 129.66 1f28 h GLN 138 Ca 0.25 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1f28 h GLN 138 Cb 0.94 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1f28 h GLN 138 CO 1.20 0.61 0.10 1.25 -0.67 0.00 0.00 178.83 181.32 1f28 h LEU 139 N 0.95 0.31 -0.87 1.46 5.85 -1.86 0.18 115.31 121.33 1f28 h LEU 139 Ca 0.35 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1f28 h LEU 139 Cb 0.13 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1f28 h LEU 139 CO -0.16 0.37 0.14 0.00 -0.34 0.00 0.00 178.44 178.46 1f28 h ALA 140 N 0.95 1.08 -0.50 1.25 0.00 -1.84 -2.30 119.26 117.90 1f28 h ALA 140 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1f28 h ALA 140 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1f28 h ALA 140 CO -0.01 0.61 -0.01 -0.91 0.00 0.00 0.00 179.25 178.93 1f28 h ASN 141 N 0.93 0.81 -0.28 0.00 2.35 -0.83 -1.52 115.58 117.05 1f28 h ASN 141 Ca 0.20 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1f28 h ASN 141 Cb 0.34 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1f28 h ASN 141 CO 0.00 0.88 0.08 0.40 -1.65 0.00 0.00 177.43 177.15 1f28 h ILE 142 N 0.78 1.20 -0.60 2.81 2.04 -0.70 -0.92 117.51 122.12 1f28 h ILE 142 Ca 0.15 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1f28 h ILE 142 Cb 0.48 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1f28 h ILE 142 CO 0.02 0.21 0.38 0.40 0.00 0.00 0.00 178.15 179.17 1f28 h ILE 143 N 0.28 1.11 -0.46 -0.67 1.08 -1.21 -0.92 117.51 116.74 1f28 h ILE 143 Ca 0.09 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1f28 h ILE 143 Cb 0.25 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1f28 h ILE 143 CO -0.00 0.14 -0.09 -0.61 -0.69 0.00 0.00 178.15 176.90 1f28 h GLN 144 N 0.76 0.82 -0.55 2.37 5.75 -1.12 -2.28 115.11 120.86 1f28 h GLN 144 Ca 0.23 -0.27 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1f28 h GLN 144 Cb -0.04 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1f28 h GLN 144 CO -0.07 0.88 -0.10 0.87 -2.65 0.00 0.00 178.83 177.75 1f28 h LYS 145 N 0.74 1.03 -0.28 1.69 1.79 -0.80 -1.60 116.57 119.14 1f28 h LYS 145 Ca 0.13 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1f28 h LYS 145 Cb 0.58 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1f28 h LYS 145 CO 0.04 1.07 0.15 0.82 -1.08 0.00 0.00 179.45 180.45 1f28 h ILE 146 N 0.92 1.13 0.00 1.86 2.04 -1.00 0.66 117.51 123.11 1f28 h ILE 146 Ca 0.14 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1f28 h ILE 146 Cb 0.67 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1f28 h ILE 146 CO 0.05 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.87 1f28 n ARG 147 N -4.82 0.03 -0.06 2.37 1.74 -0.87 -3.09 116.66 111.95 1f28 n ARG 147 Ca -0.02 0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 1f28 n ARG 147 Cb 0.08 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 1f28 n ARG 147 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1f28 n THR 148 N -1.60 0.76 -3.16 0.55 -1.04 -0.61 -4.91 114.28 104.27 1f28 n THR 148 Ca 0.04 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 1f28 n THR 148 Cb 0.23 -1.70 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 1f28 n THR 148 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1f28 n SER 149 N -3.61 -0.83 -0.21 8.00 2.88 0.23 -5.03 113.62 115.05 1f28 n SER 149 Ca -0.24 -2.68 0.25 0.00 -1.33 0.00 0.00 58.87 54.88 1f28 n SER 149 Cb 0.64 -0.05 0.64 0.00 -0.75 0.00 0.00 64.21 64.70 1f28 n SER 149 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f28 h PRO 150 N 4.68 0.15 -0.12 -1.46 0.13 -1.44 -2.10 132.00 131.84 1f28 h PRO 150 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1f28 h PRO 150 Cb 0.93 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1f28 h PRO 150 CO 0.36 0.10 0.00 0.66 -0.23 0.00 0.00 178.00 178.89 1f28 n TYR 151 N -4.37 0.16 -1.66 1.56 0.53 -1.26 -4.25 117.16 107.87 1f28 n TYR 151 Ca 0.19 -0.08 -0.44 0.00 -1.02 0.00 0.00 57.90 56.56 1f28 n TYR 151 Cb 0.88 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 39.18 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 -0.16 2.27 -1.72 7.72 -0.08 -0.79 -4.91 116.55 118.89 1f28 n ASP 152 Ca 0.08 1.19 0.08 0.00 -1.51 0.00 0.00 54.79 54.62 1f28 n ASP 152 Cb 0.13 -1.41 0.37 0.00 2.34 0.00 0.00 41.12 42.56 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 0.89 4.29 -0.35 -0.67 1.74 -1.26 -4.32 116.66 116.98 1f28 n ARG 153 Ca 0.08 -2.90 0.08 0.00 -0.77 0.00 0.00 57.85 54.34 1f28 n ARG 153 Cb 0.34 -2.09 0.17 0.00 -1.02 0.00 0.00 32.46 29.85 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 0.79 1.39 -1.94 5.56 1.74 -1.26 -4.93 116.66 118.02 1f28 n ARG 154 Ca 0.26 -2.90 -0.42 0.00 -0.77 0.00 0.00 57.85 54.02 1f28 n ARG 154 Cb 1.04 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.96 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 -1.24 6.33 -4.54 0.55 4.77 -1.26 -4.92 117.00 116.70 1f28 n LEU 155 Ca 0.17 -4.06 -0.34 0.00 -0.03 0.00 0.00 56.01 51.75 1f28 n LEU 155 Cb 0.67 -1.68 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 1f28 n LEU 155 CO -0.01 0.84 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.90 1f28 s ILE 156 N 3.52 3.90 -0.24 -0.08 -1.09 -1.26 -0.63 121.20 125.31 1f28 s ILE 156 Ca 0.49 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1f28 s ILE 156 Cb 0.11 -2.68 0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1f28 s ILE 156 CO -0.04 0.53 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.87 1f28 s LEU 157 N -0.02 3.12 0.02 2.97 2.96 -0.40 -4.92 118.68 122.40 1f28 s LEU 157 Ca 0.01 -1.04 0.06 0.00 -0.22 0.00 0.00 54.13 52.94 1f28 s LEU 157 Cb -0.13 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1f28 s LEU 157 CO 0.03 -0.13 -0.17 -0.55 -1.32 0.00 0.00 176.35 174.20 1f28 s SER 158 N 1.24 1.99 0.00 3.68 0.15 -1.26 -1.25 113.70 118.24 1f28 s SER 158 Ca -0.02 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.31 1f28 s SER 158 Cb -0.17 -0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.07 1f28 s SER 158 CO -0.06 0.14 0.87 0.00 1.20 0.00 0.00 173.24 175.39 1f28 n ALA 159 N 2.23 2.41 -2.60 5.45 0.00 -0.36 -4.32 120.51 123.30 1f28 n ALA 159 Ca -0.16 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1f28 n ALA 159 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.78 2.60 -0.35 0.00 -0.11 -1.19 -4.77 118.94 114.34 1f28 s TRP 160 Ca 0.12 0.23 0.01 0.00 1.22 0.00 0.00 56.10 57.68 1f28 s TRP 160 Cb 0.08 -4.43 0.11 0.00 -1.50 0.00 0.00 33.47 27.73 1f28 s TRP 160 CO 0.11 -1.61 0.12 1.21 -4.62 0.00 0.00 176.95 172.16 1f28 s ASN 161 N 3.06 4.19 0.43 5.86 3.84 -1.26 -4.99 114.94 126.07 1f28 s ASN 161 Ca 0.38 -2.02 0.17 0.00 0.21 0.00 0.00 52.86 51.61 1f28 s ASN 161 Cb -0.09 -1.14 1.08 0.00 -0.55 0.00 0.00 41.25 40.55 1f28 s ASN 161 CO 0.22 -0.37 1.89 -0.65 -2.79 0.00 0.00 177.10 175.40 1f28 h PRO 162 N 7.65 0.38 0.00 0.43 0.11 -2.01 -0.93 132.00 137.63 1f28 h PRO 162 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1f28 h PRO 162 Cb 1.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1f28 h PRO 162 CO 0.50 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1f28 h ALA 163 N 1.63 1.00 -0.00 -0.75 0.00 -2.02 -3.09 119.26 116.03 1f28 h ALA 163 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1f28 h ALA 163 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1f28 h ALA 163 CO -0.14 0.00 -0.25 -0.25 0.00 0.00 0.00 179.25 178.61 1f28 n ASP 164 N -2.79 0.58 -0.30 0.00 8.00 -0.41 -4.76 116.55 116.88 1f28 n ASP 164 Ca 0.00 -0.79 0.13 0.00 0.71 0.00 0.00 54.79 54.84 1f28 n ASP 164 Cb 0.24 0.80 0.28 0.00 -0.02 0.00 0.00 41.12 42.41 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 0.30 -0.06 -1.92 0.64 4.07 -1.32 0.81 115.31 117.84 1f28 h LEU 165 Ca 0.00 0.20 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 1f28 h LEU 165 Cb 0.19 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1f28 h LEU 165 CO 0.00 -0.18 -0.11 -0.33 -1.08 0.00 0.00 178.44 176.74 1f28 h GLU 166 N 0.18 0.00 0.00 1.13 4.39 -1.85 -2.38 114.58 116.05 1f28 h GLU 166 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1f28 h GLU 166 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1f28 h GLU 166 CO -0.68 0.11 -0.41 1.63 -1.16 0.00 0.00 179.01 178.51 1f28 n LYS 167 N -3.64 0.17 -3.01 2.33 5.02 0.26 -4.89 118.16 114.40 1f28 n LYS 167 Ca -0.02 0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 1f28 n LYS 167 Cb 0.23 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 -3.09 4.46 0.37 1.97 -1.94 -0.90 -4.29 119.30 115.88 1f28 s MET 168 Ca 0.09 1.07 0.12 0.00 -1.71 0.00 0.00 55.69 55.26 1f28 s MET 168 Cb 0.15 -3.09 0.72 0.00 2.01 0.00 0.00 34.83 34.62 1f28 s MET 168 CO 0.67 0.49 1.84 0.00 -0.01 0.00 0.00 175.02 178.00 1f28 h ALA 169 N 3.92 1.40 -2.73 3.03 0.00 -1.35 -3.43 119.26 120.10 1f28 h ALA 169 Ca -0.47 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 53.99 1f28 h ALA 169 Cb 1.20 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 1f28 h ALA 169 CO 0.66 0.44 -0.32 -1.17 0.00 0.00 0.00 179.25 178.86 1f28 s LEU 170 N -8.30 0.11 0.45 0.00 0.20 -1.26 -5.05 118.68 104.82 1f28 s LEU 170 Ca -0.03 0.82 -0.23 0.00 0.69 0.00 0.00 54.13 55.37 1f28 s LEU 170 Cb 0.15 1.26 -0.08 0.00 -0.43 0.00 0.00 46.19 47.09 1f28 s LEU 170 CO 0.73 -0.18 1.14 -2.84 -0.29 0.00 0.00 176.35 174.91 1f28 s PRO 171 N 1.13 3.83 0.20 0.98 0.02 -1.26 -4.91 135.00 134.99 1f28 s PRO 171 Ca -0.07 1.72 -0.32 0.00 0.02 0.00 0.00 61.00 62.35 1f28 s PRO 171 Cb -0.07 -2.43 -0.15 0.00 0.02 0.00 0.00 34.50 31.87 1f28 s PRO 171 CO -0.09 -0.47 1.26 -2.30 -0.33 0.00 0.00 177.00 175.06 1f28 n PRO 172 N -0.41 1.53 -0.09 5.54 -0.02 -1.26 -4.93 135.00 135.35 1f28 n PRO 172 Ca 0.07 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 61.93 1f28 n PRO 172 Cb 0.48 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.29 2.83 0.09 0.00 0.00 -1.26 -1.30 115.29 113.36 1f28 s HIS 174 Ca -0.23 -0.93 -0.17 0.00 -3.00 0.00 0.00 55.06 50.72 1f28 s HIS 174 Cb 0.04 -4.37 -0.07 0.00 -4.00 0.00 0.00 32.58 24.19 1f28 s HIS 174 CO 0.48 -1.64 1.51 0.52 -1.00 0.00 0.00 174.74 174.61 1f28 h MET 175 N 9.31 0.54 -2.20 -0.38 0.00 -1.66 -3.44 114.93 117.10 1f28 h MET 175 Ca -0.02 -0.19 0.17 0.00 0.00 0.00 0.00 59.70 59.66 1f28 h MET 175 Cb 1.04 -0.04 -0.11 0.00 0.00 0.00 0.00 31.60 32.49 1f28 h MET 175 CO 1.19 0.72 0.53 -0.59 0.00 0.00 0.00 176.91 178.76 1f28 s PHE 176 N -4.86 -0.19 0.04 -0.22 -0.71 -1.23 -1.23 117.98 109.58 1f28 s PHE 176 Ca -0.13 -0.03 -0.04 0.00 -1.04 0.00 0.00 56.93 55.69 1f28 s PHE 176 Cb 0.08 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.46 1f28 s PHE 176 CO 0.77 -0.66 0.05 0.00 -1.34 0.00 0.00 175.22 174.04 1f28 s GLN 178 N -3.00 2.33 0.11 0.00 0.74 -0.19 -1.28 119.66 118.37 1f28 s GLN 178 Ca -0.02 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.60 1f28 s GLN 178 Cb 0.01 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.11 1f28 s GLN 178 CO -0.06 0.33 0.23 -0.06 -0.55 0.00 0.00 175.29 175.17 1f28 s PHE 179 N -0.07 3.44 -0.09 1.67 0.40 0.19 -0.89 117.98 122.64 1f28 s PHE 179 Ca -0.04 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 1f28 s PHE 179 Cb -0.13 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.76 1f28 s PHE 179 CO 0.03 0.54 0.20 -0.47 0.70 0.00 0.00 175.22 176.23 1f28 s TYR 180 N -1.63 -0.26 -0.37 0.36 5.04 -0.22 -4.55 117.35 115.72 1f28 s TYR 180 Ca 0.34 0.67 -0.14 0.00 -2.44 0.00 0.00 57.07 55.50 1f28 s TYR 180 Cb -0.12 -0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.13 1f28 s TYR 180 CO 0.27 -0.23 0.28 0.08 -1.34 0.00 0.00 175.55 174.62 1f28 s VAL 181 N 1.53 5.26 0.54 3.14 1.01 -1.26 -0.11 120.40 130.50 1f28 s VAL 181 Ca -0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1f28 s VAL 181 Cb -0.11 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1f28 s VAL 181 CO -0.07 -0.15 1.03 -1.00 0.00 0.00 0.00 175.10 174.91 1f28 s HIS 182 N 1.75 3.09 0.61 5.22 0.09 0.02 -4.77 115.29 121.29 1f28 s HIS 182 Ca 0.06 1.53 -0.16 0.00 -0.00 0.00 0.00 55.06 56.49 1f28 s HIS 182 Cb -0.18 -2.98 -0.03 0.00 -0.00 0.00 0.00 32.58 29.39 1f28 s HIS 182 CO 0.11 -0.84 1.09 0.42 -0.00 0.00 0.00 174.74 175.51 1f28 s ILE 183 N -2.31 3.48 0.37 0.60 1.01 -1.26 -3.94 121.20 119.15 1f28 s ILE 183 Ca 0.64 0.74 -0.28 0.00 0.00 0.00 0.00 60.65 61.75 1f28 s ILE 183 Cb -0.15 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 1f28 s ILE 183 CO 0.29 -0.38 1.49 -2.84 0.00 0.00 0.00 174.94 173.50 1f28 s PRO 184 N -3.92 4.11 -0.19 2.79 0.02 -1.26 -4.71 135.00 131.83 1f28 s PRO 184 Ca 0.66 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 64.18 1f28 s PRO 184 Cb -0.19 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1f28 s PRO 184 CO 0.36 -0.54 0.07 -1.12 -0.33 0.00 0.00 177.00 175.45 1f28 s SER 185 N -0.13 5.62 1.56 2.53 0.01 -1.26 -4.83 113.70 117.20 1f28 s SER 185 Ca 0.53 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1f28 s SER 185 Cb -0.47 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1f28 s SER 185 CO 0.63 0.14 0.00 0.59 0.41 0.00 0.00 173.24 175.01 1f28 n ASN 186 N 3.75 0.00 -0.49 2.44 4.13 -1.26 -2.27 115.26 121.56 1f28 n ASN 186 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1f28 n ASN 186 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1f28 n ASN 186 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1f28 n ASN 187 N 11.01 0.00 -4.90 6.41 2.04 -1.26 -5.11 115.26 123.45 1f28 n ASN 187 Ca 0.00 -1.75 -0.29 0.00 -0.44 0.00 0.00 54.58 52.10 1f28 n ASN 187 Cb 0.00 -0.15 0.08 0.00 -2.53 0.00 0.00 39.78 37.18 1f28 n ASN 187 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 1f28 s HIS 188 N 0.00 3.04 0.56 -2.53 4.02 -0.96 -5.01 115.29 114.41 1f28 s HIS 188 Ca 0.00 0.79 -0.21 0.00 1.02 0.00 0.00 55.06 56.66 1f28 s HIS 188 Cb 0.00 -3.35 -0.04 0.00 -1.02 0.00 0.00 32.58 28.17 1f28 s HIS 188 CO 0.00 -1.58 1.30 -0.98 1.02 0.00 0.00 174.74 174.50 1f28 s ARG 189 N -5.48 3.10 0.69 1.40 1.70 -1.26 -4.38 118.95 114.72 1f28 s ARG 189 Ca 0.61 2.09 -0.16 0.00 -0.47 0.00 0.00 55.73 57.80 1f28 s ARG 189 Cb -0.11 -2.16 0.02 0.00 -0.57 0.00 0.00 34.95 32.12 1f28 s ARG 189 CO 0.49 -1.18 1.24 -2.14 -1.08 0.00 0.00 175.30 172.63 1f28 s PRO 190 N -3.02 2.35 0.03 3.89 0.02 -1.26 -4.66 135.00 132.35 1f28 s PRO 190 Ca 0.73 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.65 1f28 s PRO 190 Cb -0.37 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1f28 s PRO 190 CO 0.43 -1.70 0.03 -1.21 -0.33 0.00 0.00 177.00 174.21 1f28 s GLU 191 N -3.67 2.78 -0.22 5.54 2.02 -1.25 -1.31 118.70 122.60 1f28 s GLU 191 Ca 0.78 -0.66 -0.05 0.00 0.02 0.00 0.00 54.97 55.05 1f28 s GLU 191 Cb -0.32 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1f28 s GLU 191 CO 0.42 0.60 -0.00 -1.17 0.02 0.00 0.00 175.26 175.13 1f28 s LEU 192 N -1.91 3.16 0.27 1.80 2.96 0.40 -0.80 118.68 124.55 1f28 s LEU 192 Ca 0.23 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 1f28 s LEU 192 Cb -0.12 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1f28 s LEU 192 CO 0.15 0.02 0.15 -0.44 -1.32 0.00 0.00 176.35 174.90 1f28 s SER 193 N 1.29 5.22 -0.02 3.68 0.01 0.84 -0.22 113.70 124.50 1f28 s SER 193 Ca 0.04 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 56.90 1f28 s SER 193 Cb -0.15 -1.20 0.03 0.00 0.21 0.00 0.00 66.02 64.92 1f28 s SER 193 CO 0.01 -0.07 0.04 0.00 0.41 0.00 0.00 173.24 173.63 1f28 s GLN 195 N 1.08 2.91 -0.12 0.00 0.74 -0.07 -0.64 119.66 123.55 1f28 s GLN 195 Ca -0.09 -0.92 -0.07 0.00 0.05 0.00 0.00 55.36 54.33 1f28 s GLN 195 Cb -0.13 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1f28 s GLN 195 CO -0.03 -0.34 0.13 -1.17 -0.55 0.00 0.00 175.29 173.33 1f28 s LEU 196 N 1.32 4.33 -0.25 3.68 2.96 0.49 -1.02 118.68 130.19 1f28 s LEU 196 Ca 0.01 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1f28 s LEU 196 Cb -0.16 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.49 1f28 s LEU 196 CO -0.06 0.39 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.85 1f28 s TYR 197 N -0.92 3.04 -0.27 5.38 5.04 -0.25 0.08 117.35 129.45 1f28 s TYR 197 Ca 0.14 -1.33 -0.04 0.00 -2.44 0.00 0.00 57.07 53.41 1f28 s TYR 197 Cb -0.12 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.11 1f28 s TYR 197 CO 0.03 -0.67 0.00 -1.14 -1.34 0.00 0.00 175.55 172.44 1f28 s GLN 198 N 1.39 3.01 0.36 4.97 0.74 -0.28 -2.15 119.66 127.70 1f28 s GLN 198 Ca 0.02 -0.88 0.11 0.00 0.05 0.00 0.00 55.36 54.66 1f28 s GLN 198 Cb -0.16 -3.16 0.69 0.00 1.10 0.00 0.00 33.01 31.48 1f28 s GLN 198 CO -0.03 -0.39 1.82 0.07 -0.55 0.00 0.00 175.29 176.20 1f28 h ARG 199 N 8.12 0.09 -3.01 1.67 0.11 -1.51 -1.12 114.38 118.73 1f28 h ARG 199 Ca -0.33 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 59.50 1f28 h ARG 199 Cb 1.12 -0.01 -0.32 0.00 1.11 0.00 0.00 29.97 31.88 1f28 h ARG 199 CO 0.59 0.41 -0.54 -1.54 0.10 0.00 0.00 179.97 179.00 1f28 s SER 200 N -6.92 0.10 -0.18 0.08 1.04 -1.26 -0.89 113.70 105.67 1f28 s SER 200 Ca -0.04 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.89 1f28 s SER 200 Cb 0.14 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.76 1f28 s SER 200 CO 0.73 -0.20 -0.10 0.00 0.98 0.00 0.00 173.24 174.65 1f28 s ASP 202 N 1.45 6.30 0.29 0.00 3.68 -1.26 -1.83 116.67 125.30 1f28 s ASP 202 Ca 0.00 -0.93 0.01 0.00 2.13 0.00 0.00 52.55 53.77 1f28 s ASP 202 Cb -0.15 -2.54 0.55 0.00 -1.45 0.00 0.00 42.92 39.33 1f28 s ASP 202 CO -0.09 -1.65 1.85 0.24 0.13 0.00 0.00 175.17 175.66 1f28 h MET 203 N 9.85 0.97 -0.15 4.34 2.86 -1.43 -1.09 114.93 130.27 1f28 h MET 203 Ca -0.09 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1f28 h MET 203 Cb 1.04 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1f28 h MET 203 CO 1.31 0.64 -0.13 0.78 1.06 0.00 0.00 176.91 180.58 1f28 h GLY 204 N 1.00 0.38 0.00 8.32 0.00 -1.89 -3.39 103.07 107.49 1f28 h GLY 204 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1f28 h GLY 204 CO -0.23 0.34 -0.47 -0.10 0.00 0.00 0.00 176.54 176.08 1f28 n LEU 205 N -4.57 0.95 0.01 3.11 0.00 -1.17 -4.83 117.00 110.49 1f28 n LEU 205 Ca -0.06 0.16 -0.12 0.00 0.00 0.00 0.00 56.01 55.98 1f28 n LEU 205 Cb 0.35 -0.59 -0.08 0.00 0.00 0.00 0.00 43.42 43.09 1f28 n LEU 205 CO 0.39 -0.40 0.76 1.23 0.00 0.00 0.00 177.39 179.36 1f28 h GLY 206 N -0.47 0.01 -0.32 -3.96 0.00 -1.62 -3.36 103.07 93.36 1f28 h GLY 206 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1f28 h GLY 206 CO 0.00 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.26 1f28 h VAL 207 N -0.23 0.31 -0.83 4.60 2.07 -1.42 0.13 116.25 120.87 1f28 h VAL 207 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1f28 h VAL 207 Cb 0.24 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1f28 h VAL 207 CO 0.00 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 177.48 1f28 h PRO 208 N -0.04 0.89 -0.18 1.57 0.11 -1.77 0.94 132.00 133.51 1f28 h PRO 208 Ca 0.29 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1f28 h PRO 208 Cb 0.49 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1f28 h PRO 208 CO -0.66 0.59 -0.16 0.74 -0.21 0.00 0.00 178.00 178.30 1f28 h PHE 209 N 0.92 0.50 -0.95 0.65 -1.00 -1.10 -2.49 116.94 113.46 1f28 h PHE 209 Ca 0.36 -0.14 -0.00 0.00 2.81 0.00 0.00 57.97 60.99 1f28 h PHE 209 Cb 0.23 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.63 1f28 h PHE 209 CO -0.00 0.78 0.57 -0.91 -1.61 0.00 0.00 178.31 177.14 1f28 h ASN 210 N 0.07 1.14 -0.14 2.17 -0.26 -0.24 0.29 115.58 118.62 1f28 h ASN 210 Ca 0.03 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1f28 h ASN 210 Cb 0.68 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1f28 h ASN 210 CO 0.04 0.87 0.08 0.40 -1.06 0.00 0.00 177.43 177.76 1f28 h ILE 211 N 1.31 1.02 -0.44 2.81 2.04 -0.82 -1.13 117.51 122.28 1f28 h ILE 211 Ca 0.34 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 1f28 h ILE 211 Cb -0.06 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1f28 h ILE 211 CO -0.06 0.03 0.20 0.00 0.00 0.00 0.00 178.15 178.32 1f28 h ALA 212 N 1.06 0.58 -0.27 1.87 0.00 -0.96 -2.36 119.26 119.17 1f28 h ALA 212 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1f28 h ALA 212 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1f28 h ALA 212 CO -0.02 0.15 0.07 1.03 0.00 0.00 0.00 179.25 180.47 1f28 h SER 213 N 0.58 0.04 1.14 0.00 0.87 -0.03 -1.37 113.55 114.78 1f28 h SER 213 Ca 0.15 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 1f28 h SER 213 Cb 0.14 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1f28 h SER 213 CO -0.02 0.06 -0.51 1.88 -0.53 0.00 0.00 176.83 177.71 1f28 h TYR 214 N 0.17 0.00 -0.58 2.24 0.05 -1.21 -2.01 116.97 115.63 1f28 h TYR 214 Ca 0.12 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 1f28 h TYR 214 Cb 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1f28 h TYR 214 CO -0.15 0.51 0.11 0.00 -1.05 0.00 0.00 178.16 177.58 1f28 h ALA 215 N 1.49 0.77 0.06 3.88 0.00 -1.12 -1.19 119.26 123.15 1f28 h ALA 215 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1f28 h ALA 215 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1f28 h ALA 215 CO 0.07 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1f28 h LEU 216 N 0.86 -0.07 -0.71 0.00 3.38 -1.08 -0.65 115.31 117.05 1f28 h LEU 216 Ca 0.18 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1f28 h LEU 216 Cb 0.39 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1f28 h LEU 216 CO 0.01 0.03 0.41 0.25 0.09 0.00 0.00 178.44 179.23 1f28 h LEU 217 N -0.16 0.64 -0.58 1.67 5.85 -1.25 0.22 115.31 121.69 1f28 h LEU 217 Ca -0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1f28 h LEU 217 Cb 0.14 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1f28 h LEU 217 CO 0.01 0.42 0.36 0.74 -0.34 0.00 0.00 178.44 179.63 1f28 h THR 218 N 0.77 1.16 -0.65 1.05 2.02 -0.94 -0.46 112.91 115.86 1f28 h THR 218 Ca 0.31 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1f28 h THR 218 Cb 0.15 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1f28 h THR 218 CO -0.16 0.17 0.10 0.00 0.37 0.00 0.00 175.52 176.00 1f28 h MET 220 N 1.00 0.11 -0.41 0.00 2.07 0.16 0.35 114.93 118.22 1f28 h MET 220 Ca 0.20 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.79 1f28 h MET 220 Cb 0.44 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 1f28 h MET 220 CO 0.01 0.19 0.18 0.82 1.07 0.00 0.00 176.91 179.18 1f28 h ILE 221 N 0.00 1.19 -0.56 -1.22 2.04 -1.05 -1.84 117.51 116.07 1f28 h ILE 221 Ca 0.03 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1f28 h ILE 221 Cb 0.11 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1f28 h ILE 221 CO -0.00 0.21 0.34 0.00 0.00 0.00 0.00 178.15 178.70 1f28 h ALA 222 N 1.02 0.72 -0.46 1.87 0.00 -1.13 -1.18 119.26 120.11 1f28 h ALA 222 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1f28 h ALA 222 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1f28 h ALA 222 CO -0.01 0.06 0.30 1.25 0.00 0.00 0.00 179.25 180.86 1f28 h HIS 223 N 0.68 0.58 0.00 0.00 -0.00 -0.64 0.19 115.15 115.95 1f28 h HIS 223 Ca 0.23 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1f28 h HIS 223 Cb 0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1f28 h HIS 223 CO -0.06 0.36 0.00 0.28 -0.00 0.00 0.00 177.93 178.51 1f28 n VAL 224 N -4.77 0.43 -0.26 5.26 0.31 -0.72 -2.74 118.33 115.85 1f28 n VAL 224 Ca 0.02 -0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.42 1f28 n VAL 224 Cb 0.03 -0.68 0.23 0.00 -0.91 0.00 0.00 33.84 32.50 1f28 n VAL 224 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f28 n ASP 226 N 1.02 -6.26 -4.64 0.00 10.43 -0.53 -4.96 116.55 111.60 1f28 n ASP 226 Ca 0.17 -0.41 -0.25 0.00 2.57 0.00 0.00 54.79 56.87 1f28 n ASP 226 Cb 0.51 -5.00 -0.09 0.00 1.84 0.00 0.00 41.12 38.39 1f28 n ASP 226 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1f28 s LEU 227 N -7.00 2.99 0.13 0.64 1.43 0.56 -4.81 118.68 112.63 1f28 s LEU 227 Ca 0.44 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1f28 s LEU 227 Cb -0.20 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1f28 s LEU 227 CO 0.55 -0.30 0.16 -1.81 0.23 0.00 0.00 176.35 175.18 1f28 s ASP 228 N -3.74 5.78 0.33 2.29 1.01 -0.43 -4.10 116.67 117.81 1f28 s ASP 228 Ca 0.36 -0.00 -0.27 0.00 0.71 0.00 0.00 52.55 53.35 1f28 s ASP 228 Cb 0.01 -1.60 -0.09 0.00 1.01 0.00 0.00 42.92 42.25 1f28 s ASP 228 CO 0.20 0.10 1.03 -2.16 0.21 0.00 0.00 175.17 174.55 1f28 s PRO 229 N -2.93 4.45 0.00 8.23 0.04 -1.26 -0.45 135.00 143.08 1f28 s PRO 229 Ca 0.32 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1f28 s PRO 229 Cb -0.11 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1f28 s PRO 229 CO 0.25 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.80 1f28 n GLY 230 N 0.75 0.38 3.53 0.56 0.00 0.70 -4.02 105.19 107.08 1f28 n GLY 230 Ca 0.02 0.00 -0.29 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 -0.46 4.08 -0.19 1.61 1.01 -1.26 -0.24 116.67 121.22 1f28 s ASP 231 Ca 0.00 -0.52 -0.03 0.00 0.71 0.00 0.00 52.55 52.71 1f28 s ASP 231 Cb 0.00 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.27 1f28 s ASP 231 CO 0.00 0.16 -0.07 0.12 0.21 0.00 0.00 175.17 175.59 1f28 s PHE 232 N -1.28 2.92 -0.18 4.23 5.36 0.44 -0.89 117.98 128.58 1f28 s PHE 232 Ca 0.20 -0.87 0.00 0.00 -0.96 0.00 0.00 56.93 55.30 1f28 s PHE 232 Cb -0.10 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.56 1f28 s PHE 232 CO 0.12 -0.45 -0.16 0.42 -1.46 0.00 0.00 175.22 173.68 1f28 s ILE 233 N 1.14 2.41 -0.44 3.12 1.09 0.18 0.09 121.20 128.80 1f28 s ILE 233 Ca 0.01 -0.83 -0.12 0.00 -1.10 0.00 0.00 60.65 58.62 1f28 s ILE 233 Cb -0.14 -2.03 0.07 0.00 -1.06 0.00 0.00 42.46 39.30 1f28 s ILE 233 CO -0.02 0.51 0.31 -2.28 -0.10 0.00 0.00 174.94 173.37 1f28 s HIS 234 N 1.23 3.30 -0.00 3.97 2.46 0.65 -0.38 115.29 126.52 1f28 s HIS 234 Ca 0.03 -1.27 -0.13 0.00 0.47 0.00 0.00 55.06 54.16 1f28 s HIS 234 Cb -0.14 -3.02 -0.05 0.00 -0.13 0.00 0.00 32.58 29.23 1f28 s HIS 234 CO -0.08 -0.82 0.36 0.08 -2.47 0.00 0.00 174.74 171.81 1f28 s VAL 235 N 1.51 5.12 0.01 0.89 1.01 0.11 -1.86 120.40 127.20 1f28 s VAL 235 Ca 0.03 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1f28 s VAL 235 Cb -0.23 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1f28 s VAL 235 CO 0.04 0.53 -0.15 -0.04 0.00 0.00 0.00 175.10 175.48 1f28 s MET 236 N -1.23 1.11 0.00 2.72 -1.94 -1.26 -1.13 119.30 117.56 1f28 s MET 236 Ca 0.24 -0.62 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1f28 s MET 236 Cb -0.15 -1.10 0.00 0.00 2.01 0.00 0.00 34.83 35.59 1f28 s MET 236 CO 0.13 0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.84 1f28 n GLY 237 N 2.41 0.55 3.52 -0.03 0.00 -0.42 -3.23 105.19 107.98 1f28 n GLY 237 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 6.19 -0.38 1.61 3.68 -0.07 -0.90 116.67 125.79 1f28 s ASP 238 Ca 0.00 -0.69 -0.15 0.00 2.13 0.00 0.00 52.55 53.83 1f28 s ASP 238 Cb 0.00 -2.51 0.01 0.00 -1.45 0.00 0.00 42.92 38.96 1f28 s ASP 238 CO 0.00 -1.68 0.34 0.00 0.13 0.00 0.00 175.17 173.95 1f28 s HIS 240 N 1.88 1.73 -0.05 0.00 -3.43 -0.76 -0.52 115.29 114.14 1f28 s HIS 240 Ca 0.08 -1.05 0.02 0.00 -0.80 0.00 0.00 55.06 53.31 1f28 s HIS 240 Cb -0.18 -1.07 0.02 0.00 -1.43 0.00 0.00 32.58 29.92 1f28 s HIS 240 CO 0.11 -0.15 -0.08 0.42 -2.00 0.00 0.00 174.74 173.05 1f28 s ILE 241 N -3.51 0.80 0.18 -5.38 1.01 0.03 -0.93 121.20 113.41 1f28 s ILE 241 Ca 0.36 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1f28 s ILE 241 Cb 0.08 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.71 1f28 s ILE 241 CO 0.14 0.28 0.98 -0.31 0.00 0.00 0.00 174.94 176.03 1f28 s TYR 242 N 0.73 3.85 0.16 3.97 2.02 -1.26 -1.10 117.35 125.72 1f28 s TYR 242 Ca -0.12 1.82 -0.18 0.00 -0.37 0.00 0.00 57.07 58.22 1f28 s TYR 242 Cb -0.15 -3.07 0.08 0.00 -0.40 0.00 0.00 41.96 38.43 1f28 s TYR 242 CO 0.02 0.16 1.67 0.87 -1.57 0.00 0.00 175.55 176.70 1f28 h LYS 243 N 4.80 -0.03 -0.04 -0.62 1.57 -1.76 -1.10 116.57 119.39 1f28 h LYS 243 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1f28 h LYS 243 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1f28 h LYS 243 CO 0.70 -0.02 0.00 -0.40 -0.57 0.00 0.00 179.45 179.16 1f28 n ASP 244 N -5.31 0.04 -0.01 0.86 3.85 -1.26 -1.49 116.55 113.23 1f28 n ASP 244 Ca 0.02 -0.42 -0.00 0.00 -0.71 0.00 0.00 54.79 53.67 1f28 n ASP 244 Cb 0.22 -0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 39.94 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 -0.33 0.00 -0.33 2.11 8.25 -0.42 -4.74 115.22 119.76 1f28 n HIS 245 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1f28 n HIS 245 Cb 0.01 -0.14 0.35 0.00 1.12 0.00 0.00 29.99 31.33 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 0.52 0.25 1.59 2.04 -1.19 -1.99 117.51 118.73 1f28 h ILE 246 Ca -0.06 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1f28 h ILE 246 Cb 0.82 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1f28 h ILE 246 CO 0.00 0.09 -0.42 -0.08 0.00 0.00 0.00 178.15 177.75 1f28 h GLU 247 N 0.52 -0.71 0.00 2.37 4.81 -1.85 -0.50 114.58 119.21 1f28 h GLU 247 Ca 0.60 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 1f28 h GLU 247 Cb 1.13 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1f28 h GLU 247 CO -0.49 -0.47 0.00 0.00 -0.73 0.00 0.00 179.01 177.32 1f28 n ALA 248 N -2.78 1.81 -0.10 2.92 0.00 -0.80 -3.28 120.51 118.29 1f28 n ALA 248 Ca -0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1f28 n ALA 248 Cb 0.39 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 1f28 n ALA 248 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f28 n LEU 249 N -1.32 0.71 0.25 0.00 7.99 -0.75 -3.90 117.00 119.97 1f28 n LEU 249 Ca 0.06 -0.03 0.08 0.00 -0.01 0.00 0.00 56.01 56.12 1f28 n LEU 249 Cb 0.13 0.15 0.62 0.00 -0.11 0.00 0.00 43.42 44.20 1f28 n LEU 249 CO 0.12 0.55 0.97 1.56 -1.51 0.00 0.00 177.39 179.07 1f28 h GLN 250 N 0.00 0.00 0.12 3.23 4.20 -1.10 -1.90 115.11 119.66 1f28 h GLN 250 Ca -0.49 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 57.97 1f28 h GLN 250 Cb 2.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.82 1f28 h GLN 250 CO 0.00 0.12 -1.20 -0.56 -0.67 0.00 0.00 178.83 176.53 1f28 h GLN 251 N 0.00 0.26 -1.13 1.46 3.07 -1.78 -3.21 115.11 113.77 1f28 h GLN 251 Ca -0.00 -0.44 0.32 0.00 0.09 0.00 0.00 58.65 58.62 1f28 h GLN 251 Cb 0.24 0.16 -0.09 0.00 0.08 0.00 0.00 27.48 27.87 1f28 h GLN 251 CO 0.02 1.21 0.74 0.37 0.09 0.00 0.00 178.83 181.26 1f28 h GLN 252 N -0.35 0.26 0.00 0.06 4.15 -1.58 4.62 115.11 122.26 1f28 h GLN 252 Ca -0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1f28 h GLN 252 Cb 1.71 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1f28 h GLN 252 CO 0.08 0.17 0.00 1.28 -1.93 0.00 0.00 178.83 178.43 1f28 n LEU 253 N -4.57 0.42 0.04 -2.39 4.77 -0.75 -1.74 117.00 112.78 1f28 n LEU 253 Ca 0.28 0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 56.90 1f28 n LEU 253 Cb 1.07 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1f28 n LEU 253 CO 0.27 -0.66 -0.18 0.71 -1.33 0.00 0.00 177.39 176.20 1f28 h THR 254 N 0.00 0.70 -3.41 -5.08 1.35 0.90 -3.46 112.91 103.92 1f28 h THR 254 Ca 0.00 -2.25 -0.52 0.00 -0.55 0.00 0.00 66.41 63.08 1f28 h THR 254 Cb 0.15 2.22 0.02 0.00 -1.73 0.00 0.00 68.15 68.81 1f28 h THR 254 CO 0.00 0.40 0.59 -0.13 -0.25 0.00 0.00 175.52 176.13 1f28 s ARG 255 N -2.86 4.45 0.06 4.72 0.52 -0.71 -5.02 118.95 120.11 1f28 s ARG 255 Ca -0.02 1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 56.90 1f28 s ARG 255 Cb 0.08 -3.24 -0.06 0.00 0.52 0.00 0.00 34.95 32.26 1f28 s ARG 255 CO 0.80 -0.16 0.66 -1.12 0.02 0.00 0.00 175.30 175.50 1f28 s SER 256 N 0.31 7.13 0.29 0.23 0.01 -1.26 -4.97 113.70 115.44 1f28 s SER 256 Ca 0.55 1.35 -0.29 0.00 1.31 0.00 0.00 55.95 58.86 1f28 s SER 256 Cb -0.34 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.38 1f28 s SER 256 CO 0.36 0.15 1.29 -2.84 0.41 0.00 0.00 173.24 172.60 1f28 s PRO 257 N -0.58 4.40 0.44 12.44 0.02 -1.26 -4.84 135.00 145.62 1f28 s PRO 257 Ca 0.33 2.13 0.06 0.00 0.02 0.00 0.00 61.00 63.54 1f28 s PRO 257 Cb -0.20 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.22 1f28 s PRO 257 CO 0.21 -0.16 0.61 1.03 -0.33 0.00 0.00 177.00 178.36 1f28 s ARG 258 N -1.30 2.80 0.60 5.54 3.00 -1.26 -4.85 118.95 123.49 1f28 s ARG 258 Ca 0.51 -1.10 -0.17 0.00 0.00 0.00 0.00 55.73 54.96 1f28 s ARG 258 Cb -0.38 -2.70 -0.03 0.00 0.00 0.00 0.00 34.95 31.84 1f28 s ARG 258 CO 0.47 -0.33 1.13 -1.25 0.00 0.00 0.00 175.30 175.32 1f28 s PRO 259 N -4.43 3.04 0.60 3.54 0.04 -1.26 -4.64 135.00 131.90 1f28 s PRO 259 Ca 0.54 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1f28 s PRO 259 Cb -0.10 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1f28 s PRO 259 CO 0.34 -1.08 1.10 -0.06 0.04 0.00 0.00 177.00 177.34 1f28 s PHE 260 N -2.02 2.71 0.90 0.56 0.08 -1.26 -4.85 117.98 114.10 1f28 s PHE 260 Ca 0.70 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 59.15 1f28 s PHE 260 Cb -0.23 -3.18 0.22 0.00 -0.57 0.00 0.00 43.02 39.26 1f28 s PHE 260 CO 0.34 -1.52 0.91 -0.35 -0.10 0.00 0.00 175.22 174.51 1f28 n PRO 261 N -1.90 -2.17 -4.43 0.24 -0.04 -1.25 -4.79 135.00 120.66 1f28 n PRO 261 Ca 0.10 -1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.91 1f28 n PRO 261 Cb 0.52 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.77 2.20 -0.05 0.52 -4.23 -0.79 -1.66 115.64 108.87 1f28 s THR 262 Ca 0.56 -2.32 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1f28 s THR 262 Cb -0.04 -2.24 -0.00 0.00 1.34 0.00 0.00 72.50 71.55 1f28 s THR 262 CO 0.42 -0.45 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.65 1f28 s LEU 263 N -3.45 1.92 -0.06 4.79 2.96 0.48 -1.41 118.68 123.91 1f28 s LEU 263 Ca 0.28 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1f28 s LEU 263 Cb -0.03 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.63 1f28 s LEU 263 CO 0.12 0.15 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.74 1f28 s SER 264 N 0.09 1.78 -0.32 3.68 0.01 -0.71 -4.79 113.70 113.45 1f28 s SER 264 Ca -0.06 -0.30 -0.09 0.00 1.31 0.00 0.00 55.95 56.82 1f28 s SER 264 Cb -0.13 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1f28 s SER 264 CO 0.03 0.06 0.14 -0.76 0.41 0.00 0.00 173.24 173.11 1f28 s LEU 265 N 0.51 4.12 0.31 2.44 1.43 -1.26 -1.31 118.68 124.92 1f28 s LEU 265 Ca -0.12 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1f28 s LEU 265 Cb -0.14 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 1f28 s LEU 265 CO 0.03 -0.22 0.03 0.21 0.23 0.00 0.00 176.35 176.63 1f28 s ASN 266 N 1.57 2.45 0.00 2.29 2.47 -1.04 -4.69 114.94 117.99 1f28 s ASN 266 Ca 0.04 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 51.98 1f28 s ASN 266 Cb -0.17 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.52 1f28 s ASN 266 CO 0.05 -0.56 0.00 -1.14 -3.72 0.00 0.00 177.10 171.74 1f28 n ARG 267 N -0.66 0.00 -3.44 0.43 0.63 -1.26 -4.57 116.66 107.79 1f28 n ARG 267 Ca -0.03 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.72 1f28 n ARG 267 Cb 0.66 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.60 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 -6.25 -4.75 6.15 3.41 -1.26 -4.94 113.62 105.98 1f28 n SER 268 Ca 0.00 -0.67 -0.40 0.00 -0.26 0.00 0.00 58.87 57.54 1f28 n SER 268 Cb 0.00 -3.99 -0.05 0.00 -0.26 0.00 0.00 64.21 59.91 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 -3.23 3.73 0.00 -1.33 1.09 -1.26 -4.91 121.20 115.28 1f28 s ILE 269 Ca 0.25 1.70 0.00 0.00 -1.10 0.00 0.00 60.65 61.50 1f28 s ILE 269 Cb -0.07 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 37.25 1f28 s ILE 269 CO 0.81 0.39 0.72 0.35 -0.10 0.00 0.00 174.94 177.11 1f28 n THR 270 N 1.45 0.52 -4.21 2.92 -2.24 -1.26 -4.75 114.28 106.71 1f28 n THR 270 Ca -0.01 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 60.96 1f28 n THR 270 Cb 0.46 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.52 0.95 0.55 3.42 -1.08 -1.26 -4.88 116.67 113.84 1f28 s ASP 271 Ca 0.00 -0.14 0.25 0.00 -0.52 0.00 0.00 52.55 52.15 1f28 s ASP 271 Cb 0.00 -0.40 1.46 0.00 -1.46 0.00 0.00 42.92 42.52 1f28 s ASP 271 CO 0.00 -0.02 2.04 -0.29 0.52 0.00 0.00 175.17 177.42 1f28 h ILE 272 N 5.92 0.66 -0.05 4.11 6.09 -1.95 -0.99 117.51 131.30 1f28 h ILE 272 Ca -0.37 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1f28 h ILE 272 Cb 1.16 0.79 0.00 0.00 0.47 0.00 0.00 36.82 39.24 1f28 h ILE 272 CO 0.48 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.94 1f28 n GLU 273 N -4.18 1.53 0.00 2.19 1.02 -1.26 -4.13 120.64 115.81 1f28 n GLU 273 Ca 0.06 -0.78 0.11 0.00 -0.02 0.00 0.00 57.16 56.53 1f28 n GLU 273 Cb 0.46 -1.44 0.05 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.04 1.45 -4.77 1.62 10.43 -0.38 -4.98 116.55 119.89 1f28 n ASP 274 Ca 0.19 -1.16 -0.38 0.00 2.57 0.00 0.00 54.79 56.00 1f28 n ASP 274 Cb 0.29 0.54 -0.00 0.00 1.84 0.00 0.00 41.12 43.78 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 -2.67 2.84 0.17 1.24 0.40 -1.26 -5.04 117.98 113.67 1f28 s PHE 275 Ca 0.16 1.48 0.01 0.00 -0.60 0.00 0.00 56.93 57.98 1f28 s PHE 275 Cb 0.18 -3.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 1f28 s PHE 275 CO 0.65 -1.81 0.03 0.95 0.70 0.00 0.00 175.22 175.74 1f28 s THR 276 N -1.39 0.54 0.21 0.64 -4.23 -1.26 -5.05 115.64 105.10 1f28 s THR 276 Ca 0.60 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1f28 s THR 276 Cb -0.34 -2.17 0.21 0.00 1.34 0.00 0.00 72.50 71.54 1f28 s THR 276 CO 0.42 -0.41 1.60 0.25 -0.54 0.00 0.00 174.62 175.94 1f28 h LEU 277 N 2.69 -0.90 -0.14 4.79 6.46 -1.96 -0.09 115.31 126.16 1f28 h LEU 277 Ca -0.36 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1f28 h LEU 277 Cb 1.21 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 41.64 1f28 h LEU 277 CO 0.62 -0.27 0.00 0.47 -0.62 0.00 0.00 178.44 178.64 1f28 n ASP 278 N -5.45 0.08 0.00 1.25 10.43 -1.26 -1.86 116.55 119.74 1f28 n ASP 278 Ca 0.07 0.53 0.13 0.00 2.57 0.00 0.00 54.79 58.09 1f28 n ASP 278 Cb 0.36 -0.54 0.60 0.00 1.84 0.00 0.00 41.12 43.37 1f28 n ASP 278 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1f28 n ASP 279 N -1.60 0.00 -4.56 -2.24 8.00 -0.05 -4.66 116.55 111.45 1f28 n ASP 279 Ca 0.01 0.35 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 1f28 n ASP 279 Cb 0.07 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.62 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 -2.89 3.19 -0.43 1.24 0.40 -0.77 -2.49 117.98 116.22 1f28 s PHE 280 Ca 0.16 -0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1f28 s PHE 280 Cb 0.18 -2.29 0.12 0.00 0.51 0.00 0.00 43.02 41.53 1f28 s PHE 280 CO 0.47 -0.16 0.20 1.21 0.70 0.00 0.00 175.22 177.63 1f28 s ASN 281 N 1.48 5.04 -0.31 1.36 3.84 -0.43 -5.01 114.94 120.91 1f28 s ASN 281 Ca 0.06 -2.27 -0.15 0.00 0.21 0.00 0.00 52.86 50.72 1f28 s ASN 281 Cb -0.15 -1.76 -0.03 0.00 -0.55 0.00 0.00 41.25 38.76 1f28 s ASN 281 CO 0.07 -0.45 0.36 -0.63 -2.79 0.00 0.00 177.10 173.66 1f28 s ILE 282 N 0.79 5.17 0.03 -5.21 1.01 -1.26 -1.73 121.20 120.00 1f28 s ILE 282 Ca 0.11 0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1f28 s ILE 282 Cb -0.22 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1f28 s ILE 282 CO -0.05 0.04 -0.04 -1.10 0.00 0.00 0.00 174.94 173.79 1f28 s GLN 283 N 2.04 2.56 -1.37 2.79 -0.21 -0.50 -4.67 119.66 120.30 1f28 s GLN 283 Ca 0.13 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 1f28 s GLN 283 Cb -0.16 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.34 1f28 s GLN 283 CO 0.11 0.58 1.16 0.09 -2.12 0.00 0.00 175.29 175.11 1f28 n ASN 284 N 1.20 -6.01 -4.50 5.90 3.02 -1.26 -1.88 115.26 111.74 1f28 n ASN 284 Ca -0.14 -0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 1f28 n ASN 284 Cb 0.52 -4.90 -0.06 0.00 -0.61 0.00 0.00 39.78 34.73 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 -3.32 3.01 -0.50 3.10 6.04 -1.26 -4.24 117.35 120.18 1f28 s TYR 285 Ca 0.57 -0.17 0.04 0.00 0.04 0.00 0.00 57.07 57.54 1f28 s TYR 285 Cb -0.26 -3.54 0.16 0.00 -1.04 0.00 0.00 41.96 37.28 1f28 s TYR 285 CO 0.74 -1.00 0.35 -1.01 -1.54 0.00 0.00 175.55 173.09 1f28 s HIS 286 N 2.98 2.05 0.68 4.97 3.76 -1.26 -5.08 115.29 123.39 1f28 s HIS 286 Ca 0.22 -2.62 -0.06 0.00 -0.15 0.00 0.00 55.06 52.46 1f28 s HIS 286 Cb -0.15 -1.72 0.06 0.00 1.11 0.00 0.00 32.58 31.88 1f28 s HIS 286 CO 0.17 -0.73 0.98 -1.25 -0.85 0.00 0.00 174.74 173.06 1f28 s PRO 287 N -0.25 2.26 0.73 8.40 0.04 -1.26 -4.93 135.00 139.99 1f28 s PRO 287 Ca 0.25 -0.31 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 1f28 s PRO 287 Cb -0.08 -2.21 0.17 0.00 0.04 0.00 0.00 34.50 32.42 1f28 s PRO 287 CO -0.12 -1.16 0.82 0.66 0.04 0.00 0.00 177.00 177.24 1f28 n TYR 288 N -2.84 -3.82 -0.76 0.56 4.02 -0.07 -4.87 117.16 109.38 1f28 n TYR 288 Ca 0.08 -0.73 -0.32 0.00 -0.01 0.00 0.00 57.90 56.91 1f28 n TYR 288 Cb 0.60 -0.72 0.14 0.00 -0.02 0.00 0.00 39.34 39.34 1f28 n TYR 288 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1f28 n GLU 289 N -3.27 -0.39 -2.76 -0.72 4.71 -1.26 -3.43 120.64 113.52 1f28 n GLU 289 Ca 0.11 -0.07 -0.40 0.00 -0.01 0.00 0.00 57.16 56.79 1f28 n GLU 289 Cb 0.39 -1.99 -0.06 0.00 -1.01 0.00 0.00 31.44 28.77 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 -2.45 4.09 -0.22 2.62 -1.32 -1.26 -3.52 115.64 113.58 1f28 s THR 290 Ca 0.59 2.05 -0.01 0.00 -1.21 0.00 0.00 61.69 63.11 1f28 s THR 290 Cb -0.21 -4.29 0.01 0.00 -1.51 0.00 0.00 72.50 66.50 1f28 s THR 290 CO 0.65 0.46 -0.10 -0.63 -2.21 0.00 0.00 174.62 172.79 1f28 s ILE 291 N -1.23 2.76 -0.07 5.08 1.01 -1.26 -4.97 121.20 122.51 1f28 s ILE 291 Ca 0.42 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1f28 s ILE 291 Cb -0.25 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1f28 s ILE 291 CO 0.31 0.38 1.65 -0.54 0.00 0.00 0.00 174.94 176.74 1f28 s LYS 292 N 1.36 4.14 -0.16 2.79 1.02 -1.26 -4.99 119.74 122.63 1f28 s LYS 292 Ca 0.03 2.13 -0.02 0.00 0.02 0.00 0.00 55.97 58.13 1f28 s LYS 292 Cb -0.15 -3.99 0.05 0.00 -0.52 0.00 0.00 37.83 33.22 1f28 s LYS 292 CO -0.07 -0.90 0.02 -1.64 -0.92 0.00 0.00 175.35 171.85 1f28 s MET 293 N 4.11 0.71 0.58 1.68 -1.94 -1.26 -4.97 119.30 118.20 1f28 s MET 293 Ca 0.73 -0.31 -0.19 0.00 -1.71 0.00 0.00 55.69 54.21 1f28 s MET 293 Cb -0.32 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1f28 s MET 293 CO 0.29 -0.55 1.21 -1.59 -0.01 0.00 0.00 175.02 174.37 1f28 s LYS 294 N 1.86 3.06 0.37 2.03 0.00 -1.26 -5.02 119.74 120.78 1f28 s LYS 294 Ca 0.01 1.82 -0.04 0.00 0.00 0.00 0.00 55.97 57.75 1f28 s LYS 294 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 37.83 35.65 1f28 s LYS 294 CO -0.07 -1.13 0.64 1.41 0.00 0.00 0.00 175.35 176.19 1f28 s MET 295 N -3.27 3.59 -0.65 1.78 1.75 -1.26 -5.03 119.30 116.21 1f28 s MET 295 Ca 0.76 0.04 0.05 0.00 -1.25 0.00 0.00 55.69 55.29 1f28 s MET 295 Cb -0.30 -2.54 0.16 0.00 2.84 0.00 0.00 34.83 34.98 1f28 s MET 295 CO 0.33 0.05 0.43 -1.12 -0.65 0.00 0.00 175.02 174.06 1f28 s SER 296 N -3.62 4.69 0.00 1.11 0.01 -1.26 -5.22 113.70 109.41 1f28 s SER 296 Ca 0.45 -3.63 0.00 0.00 1.31 0.00 0.00 55.95 54.08 1f28 s SER 296 Cb -0.10 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1f28 s SER 296 CO 0.35 -0.12 0.00 -0.38 0.41 0.00 0.00 173.24 173.50