#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1f n ASP 5 N 0.00 0.61 -4.50 4.04 8.00 -0.82 -4.91 116.55 118.96 1u1f n ASP 5 Ca 0.00 -0.49 -0.25 0.00 0.71 0.00 0.00 54.79 54.77 1u1f n ASP 5 Cb 0.00 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1u1f n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u1f s VAL 6 N -2.67 2.18 0.05 2.53 -7.23 -1.24 -5.07 120.40 108.96 1u1f s VAL 6 Ca 0.21 -2.24 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 1u1f s VAL 6 Cb 0.19 -2.53 -0.24 0.00 0.56 0.00 0.00 36.38 34.37 1u1f s VAL 6 CO 0.55 -0.27 1.01 -0.26 -0.31 0.00 0.00 175.10 175.82 1u1f h PHE 7 N 2.13 0.16 0.00 2.82 0.04 -1.95 -3.41 116.94 116.73 1u1f h PHE 7 Ca -0.41 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.24 1u1f h PHE 7 Cb 1.25 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1u1f h PHE 7 CO 0.76 1.12 -0.99 0.72 -0.60 0.00 0.00 178.31 179.33 1u1f n HIS 8 N -3.32 0.00 0.19 -0.55 8.25 -1.26 -4.80 115.22 113.72 1u1f n HIS 8 Ca -0.09 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.42 1u1f n HIS 8 Cb 1.00 0.00 0.34 0.00 1.12 0.00 0.00 29.99 32.45 1u1f n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1f h LEU 9 N 0.00 0.00 -0.25 2.41 3.38 -1.92 -3.44 115.31 115.48 1u1f h LEU 9 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1u1f h LEU 9 Cb 0.99 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.77 1u1f h LEU 9 CO 0.00 0.39 -0.25 0.61 0.09 0.00 0.00 178.44 179.29 1u1f n GLY 10 N 0.06 0.26 3.34 0.83 0.00 -1.26 -4.74 105.19 103.68 1u1f n GLY 10 Ca -0.01 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1u1f n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1f s LEU 11 N -3.12 2.40 0.31 0.99 1.43 -1.26 -4.83 118.68 114.60 1u1f s LEU 11 Ca 0.16 -0.81 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1u1f s LEU 11 Cb -0.07 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 1u1f s LEU 11 CO 0.19 0.03 0.22 0.42 0.23 0.00 0.00 176.35 177.44 1u1f s THR 12 N -1.69 3.63 0.53 5.49 -4.23 -1.26 -1.94 115.64 116.16 1u1f s THR 12 Ca 0.14 -1.49 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 1u1f s THR 12 Cb -0.07 -3.16 0.33 0.00 1.34 0.00 0.00 72.50 70.93 1u1f s THR 12 CO 0.07 -0.23 2.09 0.50 -0.54 0.00 0.00 174.62 176.50 1u1f h LYS 13 N 1.41 0.00 -0.43 3.99 3.64 -1.96 -2.61 116.57 120.62 1u1f h LYS 13 Ca -0.45 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.81 1u1f h LYS 13 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1u1f h LYS 13 CO 0.60 0.00 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.67 1u1f h ASN 14 N 0.00 0.92 -0.03 4.20 2.35 -1.95 -3.16 115.58 117.92 1u1f h ASN 14 Ca 0.11 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1u1f h ASN 14 Cb 0.46 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1u1f h ASN 14 CO -0.00 1.12 0.03 0.44 -1.65 0.00 0.00 177.43 177.36 1u1f h ASP 15 N 0.72 0.00 0.47 5.81 3.32 -1.87 -1.86 116.42 123.02 1u1f h ASP 15 Ca 0.10 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 1u1f h ASP 15 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1u1f h ASP 15 CO 0.06 0.00 -0.80 -0.07 -1.72 0.00 0.00 179.24 176.72 1u1f h LEU 16 N 0.00 0.31 0.77 1.55 3.38 -1.62 -3.48 115.31 116.21 1u1f h LEU 16 Ca 0.01 -0.22 -0.38 0.00 0.09 0.00 0.00 57.88 57.38 1u1f h LEU 16 Cb 0.06 -0.09 0.06 0.00 0.09 0.00 0.00 40.66 40.79 1u1f h LEU 16 CO -0.00 0.98 -0.58 0.00 0.09 0.00 0.00 178.44 178.93 1u1f n GLN 17 N -3.74 -4.86 -0.56 1.13 6.02 -0.70 -2.82 117.38 111.85 1u1f n GLN 17 Ca -0.04 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1u1f n GLN 17 Cb 0.75 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.40 1u1f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1f n GLY 18 N -1.52 0.68 3.77 1.08 0.00 -1.26 -4.83 105.19 103.10 1u1f n GLY 18 Ca -0.10 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1u1f n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f s ALA 19 N -2.00 3.41 0.00 4.61 0.00 -1.13 -4.93 121.76 121.72 1u1f s ALA 19 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1u1f s ALA 19 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1u1f s ALA 19 CO 0.00 -0.70 0.00 0.25 0.00 0.00 0.00 175.76 175.31 1u1f n THR 20 N 0.54 0.00 -4.58 0.00 -2.24 -1.26 -4.15 114.28 102.60 1u1f n THR 20 Ca 0.01 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1u1f n THR 20 Cb 0.42 0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1u1f n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1f s LEU 21 N -2.47 3.20 -0.05 3.22 0.20 -1.26 -0.20 118.68 121.33 1u1f s LEU 21 Ca 0.00 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.80 1u1f s LEU 21 Cb 0.00 -1.71 0.02 0.00 -0.43 0.00 0.00 46.19 44.07 1u1f s LEU 21 CO 0.00 0.33 -0.06 0.00 -0.29 0.00 0.00 176.35 176.33 1u1f s ALA 22 N -0.61 0.76 -0.15 5.97 0.00 0.16 -2.23 121.76 125.66 1u1f s ALA 22 Ca 0.09 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.72 1u1f s ALA 22 Cb -0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1u1f s ALA 22 CO 0.02 0.02 0.65 0.42 0.00 0.00 0.00 175.76 176.88 1u1f s ILE 23 N 0.82 5.03 -0.52 0.00 1.01 0.10 -1.06 121.20 126.58 1u1f s ILE 23 Ca -0.12 1.28 0.04 0.00 0.00 0.00 0.00 60.65 61.85 1u1f s ILE 23 Cb -0.14 -3.98 0.13 0.00 0.01 0.00 0.00 42.46 38.48 1u1f s ILE 23 CO 0.01 0.16 0.28 0.68 0.00 0.00 0.00 174.94 176.07 1u1f s VAL 24 N 1.49 2.37 0.76 2.92 -7.23 0.10 -1.83 120.40 118.99 1u1f s VAL 24 Ca 0.32 -3.26 -0.12 0.00 -1.81 0.00 0.00 61.98 57.11 1u1f s VAL 24 Cb -0.16 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.19 1u1f s VAL 24 CO 0.13 -0.84 1.14 -2.16 -0.31 0.00 0.00 175.10 173.06 1u1f s PRO 25 N -0.28 2.35 -0.10 4.82 0.04 -1.24 -3.61 135.00 136.98 1u1f s PRO 25 Ca 0.18 0.27 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 1u1f s PRO 25 Cb -0.23 -1.98 -0.26 0.00 0.04 0.00 0.00 34.50 32.06 1u1f s PRO 25 CO -0.02 -1.35 0.44 0.78 0.04 0.00 0.00 177.00 176.89 1u1f h GLY 26 N -0.88 0.29 -5.36 0.56 0.00 -1.83 0.13 103.07 95.97 1u1f h GLY 26 Ca -0.46 -0.74 -0.58 0.00 0.00 0.00 0.00 47.33 45.55 1u1f h GLY 26 CO 0.65 0.65 0.74 -0.35 0.00 0.00 0.00 176.54 178.23 1u1f s ASP 27 N -6.97 7.01 0.61 0.19 -1.08 -1.26 -2.11 116.67 113.05 1u1f s ASP 27 Ca -0.20 1.23 0.32 0.00 -0.52 0.00 0.00 52.55 53.38 1u1f s ASP 27 Cb 0.07 -2.52 1.84 0.00 -1.46 0.00 0.00 42.92 40.85 1u1f s ASP 27 CO 0.79 -0.68 2.19 -0.65 0.52 0.00 0.00 175.17 177.33 1u1f h PRO 28 N 7.64 0.00 0.00 4.34 0.11 -1.89 -1.52 132.00 140.68 1u1f h PRO 28 Ca -0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1u1f h PRO 28 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1u1f h PRO 28 CO 0.97 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.21 1u1f h ASP 29 N 0.00 0.00 1.63 -2.05 3.45 -1.97 -3.21 116.42 114.26 1u1f h ASP 29 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1u1f h ASP 29 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1u1f h ASP 29 CO -0.00 0.11 0.00 -0.09 -1.57 0.00 0.00 179.24 177.69 1u1f h ARG 30 N 0.00 0.00 -0.90 3.56 2.43 -1.68 -3.29 114.38 114.50 1u1f h ARG 30 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1u1f h ARG 30 Cb 0.94 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 1u1f h ARG 30 CO 0.01 0.00 0.50 0.28 -1.51 0.00 0.00 179.97 179.25 1u1f h VAL 31 N 0.00 1.26 0.00 0.20 2.07 -1.63 -1.62 116.25 116.52 1u1f h VAL 31 Ca 0.00 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1u1f h VAL 31 Cb 0.81 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1u1f h VAL 31 CO 0.00 0.29 -0.32 -0.08 0.02 0.00 0.00 177.57 177.47 1u1f h GLU 32 N 1.25 0.00 0.08 1.57 4.81 -1.78 -2.67 114.58 117.84 1u1f h GLU 32 Ca 0.32 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.31 1u1f h GLU 32 Cb 0.02 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.42 1u1f h GLU 32 CO -0.05 0.32 -0.97 0.87 -0.73 0.00 0.00 179.01 178.45 1u1f h LYS 33 N 0.00 0.52 -0.23 1.92 1.57 -1.50 -3.13 116.57 115.72 1u1f h LYS 33 Ca -0.00 -0.66 -0.17 0.00 -1.87 0.00 0.00 60.65 57.94 1u1f h LYS 33 Cb 0.59 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1u1f h LYS 33 CO 0.04 1.28 -0.52 0.82 -0.57 0.00 0.00 179.45 180.50 1u1f h ILE 34 N 0.06 1.30 0.00 1.86 2.04 -1.33 -3.17 117.51 118.26 1u1f h ILE 34 Ca -0.15 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 63.94 1u1f h ILE 34 Cb 1.69 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 1u1f h ILE 34 CO 0.19 0.55 -0.24 0.00 0.00 0.00 0.00 178.15 178.65 1u1f h ALA 35 N 0.62 1.36 0.00 1.87 0.00 -1.61 -2.62 119.26 118.88 1u1f h ALA 35 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1u1f h ALA 35 Cb 1.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1u1f h ALA 35 CO 0.11 0.29 -0.24 0.00 0.00 0.00 0.00 179.25 179.42 1u1f h ALA 36 N 1.76 1.02 0.00 0.00 0.00 -1.52 -2.86 119.26 117.67 1u1f h ALA 36 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u1f h ALA 36 Cb 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1u1f h ALA 36 CO 0.03 0.30 -0.00 -0.07 0.00 0.00 0.00 179.25 179.51 1u1f h LEU 37 N 0.00 0.00-10.09 0.00 -0.00 -1.51 -3.45 115.31 100.27 1u1f h LEU 37 Ca -0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.39 1u1f h LEU 37 Cb 0.76 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.39 1u1f h LEU 37 CO 0.03 0.00 -0.43 -0.04 -0.00 0.00 0.00 178.44 178.00 1u1f s MET 38 N -3.54 2.76 0.39 1.13 -1.94 -1.08 -5.11 119.30 111.90 1u1f s MET 38 Ca 0.03 -1.28 -0.25 0.00 -1.71 0.00 0.00 55.69 52.48 1u1f s MET 38 Cb 0.08 -2.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.31 1u1f s MET 38 CO 0.58 0.06 1.05 -0.51 -0.01 0.00 0.00 175.02 176.19 1u1f s ASP 39 N -4.03 6.83 -0.63 3.03 1.01 -0.44 -4.42 116.67 118.03 1u1f s ASP 39 Ca 0.42 2.04 -0.13 0.00 0.71 0.00 0.00 52.55 55.60 1u1f s ASP 39 Cb -0.06 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1u1f s ASP 39 CO 0.27 -0.44 0.64 0.29 0.21 0.00 0.00 175.17 176.15 1u1f n LYS 40 N 0.06 -1.76 -3.26 8.23 5.02 -1.26 -0.14 118.16 125.04 1u1f n LYS 40 Ca 0.04 1.42 -0.37 0.00 -2.02 0.00 0.00 58.31 57.38 1u1f n LYS 40 Cb 0.49 -3.93 -0.06 0.00 -0.02 0.00 0.00 35.03 31.51 1u1f n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1f s PRO 41 N -3.33 4.16 -0.10 1.97 0.04 -1.26 -4.15 135.00 132.33 1u1f s PRO 41 Ca 0.15 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 61.76 1u1f s PRO 41 Cb -0.03 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.45 1u1f s PRO 41 CO 0.82 0.56 0.34 0.54 0.04 0.00 0.00 177.00 179.30 1u1f s VAL 42 N -1.27 0.01 -0.11 -0.36 0.11 -0.81 -5.01 120.40 112.97 1u1f s VAL 42 Ca 0.34 -0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.99 1u1f s VAL 42 Cb -0.18 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1u1f s VAL 42 CO 0.20 -0.06 0.97 -0.75 -3.33 0.00 0.00 175.10 172.13 1u1f s LYS 43 N -0.17 4.41 -0.23 1.54 2.20 -1.26 -1.60 119.74 124.63 1u1f s LYS 43 Ca -0.03 1.33 -0.16 0.00 -0.36 0.00 0.00 55.97 56.75 1u1f s LYS 43 Cb -0.03 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1u1f s LYS 43 CO 0.01 -0.29 -0.26 1.28 -0.36 0.00 0.00 175.35 175.74 1u1f n LEU 44 N 4.93 1.92 -3.61 5.43 4.77 -0.55 -4.97 117.00 124.92 1u1f n LEU 44 Ca 0.08 0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 56.28 1u1f n LEU 44 Cb 0.49 -0.82 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1u1f n LEU 44 CO 0.51 0.17 0.30 0.00 -1.33 0.00 0.00 177.39 177.04 1u1f s ALA 45 N -2.63 -1.44 -0.26 -1.18 0.00 -1.21 -5.02 121.76 110.02 1u1f s ALA 45 Ca -0.32 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 1u1f s ALA 45 Cb 0.09 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.17 1u1f s ALA 45 CO 0.46 -0.32 0.07 0.45 0.00 0.00 0.00 175.76 176.41 1u1f s SER 46 N -1.01 3.55 -0.06 0.00 0.15 -1.26 -1.39 113.70 113.69 1u1f s SER 46 Ca -0.10 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.28 1u1f s SER 46 Cb -0.02 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.57 1u1f s SER 46 CO 0.07 -0.36 -0.03 -1.00 1.20 0.00 0.00 173.24 173.11 1u1f s HIS 47 N 1.73 0.78 0.00 3.44 3.76 -0.35 -5.02 115.29 119.64 1u1f s HIS 47 Ca 0.05 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1u1f s HIS 47 Cb -0.17 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.77 1u1f s HIS 47 CO -0.18 -0.26 0.00 0.54 -0.85 0.00 0.00 174.74 173.99 1u1f n ARG 48 N 4.47 0.00 -0.18 1.40 1.74 -1.26 -0.88 116.66 121.95 1u1f n ARG 48 Ca -0.18 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.01 1u1f n ARG 48 Cb 0.50 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.21 1u1f n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1f n GLU 49 N 14.00 2.23 -3.58 5.56 0.00 -1.26 -4.86 120.64 132.73 1u1f n GLU 49 Ca 0.00 -1.87 -0.41 0.00 0.00 0.00 0.00 57.16 54.88 1u1f n GLU 49 Cb 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 31.44 29.87 1u1f n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1f s PHE 50 N -1.52 3.24 -0.14 -1.84 0.40 -0.06 -4.46 117.98 113.61 1u1f s PHE 50 Ca 0.36 -0.85 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 1u1f s PHE 50 Cb 0.20 -2.46 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 1u1f s PHE 50 CO 0.28 -0.62 -0.16 0.99 0.70 0.00 0.00 175.22 176.42 1u1f s THR 51 N 1.58 2.68 -0.08 0.64 2.01 -1.26 -1.21 115.64 120.00 1u1f s THR 51 Ca 0.03 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1u1f s THR 51 Cb -0.19 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1u1f s THR 51 CO 0.07 0.52 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.44 1u1f s THR 52 N 0.62 2.53 -0.03 -0.82 2.01 -0.48 -2.12 115.64 117.34 1u1f s THR 52 Ca -0.09 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1u1f s THR 52 Cb -0.16 -1.99 -0.00 0.00 0.01 0.00 0.00 72.50 70.36 1u1f s THR 52 CO 0.03 0.56 -0.13 0.26 -0.69 0.00 0.00 174.62 174.64 1u1f s TRP 53 N -0.04 1.32 -0.18 4.92 0.52 0.61 -1.49 118.94 124.60 1u1f s TRP 53 Ca -0.05 -0.32 -0.09 0.00 0.02 0.00 0.00 56.10 55.66 1u1f s TRP 53 Cb -0.14 -0.89 -0.05 0.00 -1.15 0.00 0.00 33.47 31.24 1u1f s TRP 53 CO 0.05 -0.10 0.11 0.50 0.02 0.00 0.00 176.95 177.53 1u1f s ARG 54 N -0.02 3.97 0.27 4.98 3.52 -0.63 -0.62 118.95 130.41 1u1f s ARG 54 Ca -0.01 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 1u1f s ARG 54 Cb -0.09 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1u1f s ARG 54 CO 0.01 0.39 0.14 0.00 -0.81 0.00 0.00 175.30 175.02 1u1f s ALA 55 N 0.09 1.73 -0.07 6.12 0.00 0.18 -1.92 121.76 127.88 1u1f s ALA 55 Ca 0.08 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1u1f s ALA 55 Cb -0.12 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.18 1u1f s ALA 55 CO -0.00 -0.51 -0.19 -2.00 0.00 0.00 0.00 175.76 173.05 1u1f s GLU 56 N -3.94 2.28 -0.17 0.00 2.12 0.80 -0.07 118.70 119.72 1u1f s GLU 56 Ca 0.37 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 1u1f s GLU 56 Cb 0.06 -1.83 0.04 0.00 0.26 0.00 0.00 34.13 32.66 1u1f s GLU 56 CO 0.16 0.17 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.85 1u1f s LEU 57 N 0.30 1.53 -1.37 2.70 2.96 0.48 -1.32 118.68 123.96 1u1f s LEU 57 Ca -0.12 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.06 1u1f s LEU 57 Cb -0.15 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1u1f s LEU 57 CO 0.05 -0.21 0.34 0.47 -1.32 0.00 0.00 176.35 175.68 1u1f n ASP 58 N 4.91 -4.80 0.00 3.68 9.92 -1.26 -0.99 116.55 128.02 1u1f n ASP 58 Ca -0.11 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 1u1f n ASP 58 Cb 0.48 -3.96 0.00 0.00 -0.64 0.00 0.00 41.12 37.00 1u1f n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u1f n GLY 59 N -1.17 0.64 3.21 0.44 0.00 -1.26 -5.05 105.19 102.00 1u1f n GLY 59 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1u1f n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1f s LYS 60 N -0.21 3.06 0.11 1.61 -0.14 -0.16 -5.10 119.74 118.90 1u1f s LYS 60 Ca 0.00 -0.87 -0.31 0.00 -1.36 0.00 0.00 55.97 53.43 1u1f s LYS 60 Cb 0.00 -2.35 -0.09 0.00 -1.68 0.00 0.00 37.83 33.71 1u1f s LYS 60 CO 0.00 0.13 1.54 -1.25 -0.76 0.00 0.00 175.35 175.00 1u1f s PRO 61 N 0.48 4.24 -0.02 -1.68 0.04 -1.26 -0.38 135.00 136.41 1u1f s PRO 61 Ca -0.15 2.25 0.06 0.00 0.04 0.00 0.00 61.00 63.20 1u1f s PRO 61 Cb -0.17 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1u1f s PRO 61 CO 0.06 -0.60 -0.19 0.08 0.04 0.00 0.00 177.00 176.38 1u1f s VAL 62 N 1.67 1.55 -0.12 -0.36 1.01 0.90 -4.37 120.40 120.68 1u1f s VAL 62 Ca 0.69 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1u1f s VAL 62 Cb -0.40 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1u1f s VAL 62 CO 0.31 0.44 0.08 -0.63 0.00 0.00 0.00 175.10 175.30 1u1f s ILE 63 N -0.40 5.00 -0.19 2.22 -1.09 -0.95 -0.65 121.20 125.15 1u1f s ILE 63 Ca 0.06 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1u1f s ILE 63 Cb -0.08 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1u1f s ILE 63 CO -0.00 0.59 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.44 1u1f s VAL 64 N -0.80 2.28 -0.03 2.92 1.01 0.21 -0.72 120.40 125.27 1u1f s VAL 64 Ca 0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1u1f s VAL 64 Cb -0.12 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1u1f s VAL 64 CO 0.03 0.52 0.03 0.00 0.00 0.00 0.00 175.10 175.68 1u1f s SER 66 N 1.44 7.19 -0.10 0.00 1.04 -0.90 -3.69 113.70 118.69 1u1f s SER 66 Ca -0.04 2.20 -0.03 0.00 0.48 0.00 0.00 55.95 58.56 1u1f s SER 66 Cb -0.13 -2.61 -0.26 0.00 0.10 0.00 0.00 66.02 63.12 1u1f s SER 66 CO -0.03 -0.26 0.46 0.71 0.98 0.00 0.00 173.24 175.10 1u1f h THR 67 N 3.55 0.70 0.00 2.02 1.35 -0.93 -3.40 112.91 116.19 1u1f h THR 67 Ca -0.45 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1u1f h THR 67 Cb 1.21 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1u1f h THR 67 CO 0.71 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 177.40 1u1f n GLY 68 N 1.88 -0.07 3.69 5.82 0.00 -0.90 -3.78 105.19 111.84 1u1f n GLY 68 Ca -0.28 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1u1f n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1f s ILE 69 N -1.47 4.47 0.00 -0.61 1.01 -1.26 -4.66 121.20 118.69 1u1f s ILE 69 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1u1f s ILE 69 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1u1f s ILE 69 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1u1f n GLY 70 N 3.19 1.74 0.13 6.18 0.00 -1.24 -4.72 105.19 110.47 1u1f n GLY 70 Ca 0.09 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1u1f n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1f h GLY 71 N 0.00 0.36 -0.10 -0.02 0.00 -1.87 -3.03 103.07 98.41 1u1f h GLY 71 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.22 1u1f h GLY 71 CO 0.00 0.18 -0.26 -2.55 0.00 0.00 0.00 176.54 173.91 1u1f h PRO 72 N 0.22 -0.18 0.00 4.80 0.11 -1.95 0.53 132.00 135.54 1u1f h PRO 72 Ca 0.08 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1u1f h PRO 72 Cb 0.16 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1u1f h PRO 72 CO -0.01 -0.12 -0.40 0.66 -0.21 0.00 0.00 178.00 177.92 1u1f h SER 73 N -0.18 0.00 -0.49 -2.05 4.64 -1.83 -2.66 113.55 110.98 1u1f h SER 73 Ca 0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1u1f h SER 73 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1u1f h SER 73 CO -0.52 0.40 -0.08 0.74 -0.87 0.00 0.00 176.83 176.50 1u1f h THR 74 N 0.00 1.26 -0.36 2.95 2.02 -1.23 -1.61 112.91 115.95 1u1f h THR 74 Ca -0.00 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 1u1f h THR 74 Cb 1.20 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1u1f h THR 74 CO 0.05 0.42 -0.06 0.77 0.37 0.00 0.00 175.52 177.07 1u1f h SER 75 N 0.86 0.57 -0.10 4.18 4.64 0.24 -1.06 113.55 122.88 1u1f h SER 75 Ca 0.14 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1u1f h SER 75 Cb 0.62 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1u1f h SER 75 CO 0.04 0.68 -0.07 0.40 -0.87 0.00 0.00 176.83 177.01 1u1f h ILE 76 N 0.56 1.34 -0.20 0.95 2.04 -1.36 -2.89 117.51 117.95 1u1f h ILE 76 Ca 0.11 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1u1f h ILE 76 Cb 0.45 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1u1f h ILE 76 CO 0.02 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1u1f h ALA 77 N 0.61 0.27 -0.22 1.87 0.00 -1.13 -1.88 119.26 118.77 1u1f h ALA 77 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1u1f h ALA 77 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u1f h ALA 77 CO 0.02 -0.09 0.04 0.28 0.00 0.00 0.00 179.25 179.51 1u1f h VAL 78 N 0.14 1.22 -0.36 0.00 2.07 -1.32 -1.61 116.25 116.38 1u1f h VAL 78 Ca 0.06 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1u1f h VAL 78 Cb 0.28 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u1f h VAL 78 CO 0.00 0.22 0.22 -0.08 0.02 0.00 0.00 177.57 177.95 1u1f h GLU 79 N 0.17 0.44 -0.07 1.57 4.57 -1.51 -0.87 114.58 118.88 1u1f h GLU 79 Ca 0.07 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1u1f h GLU 79 Cb 0.30 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1u1f h GLU 79 CO 0.00 0.29 -0.61 0.93 -1.18 0.00 0.00 179.01 178.44 1u1f h GLU 80 N 0.45 0.24 -0.53 1.92 5.08 -1.32 -2.11 114.58 118.32 1u1f h GLU 80 Ca 0.14 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1u1f h GLU 80 Cb -0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1u1f h GLU 80 CO -0.05 0.78 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.56 1u1f h LEU 81 N 0.18 0.99 -1.31 1.33 3.38 -1.17 -2.85 115.31 115.87 1u1f h LEU 81 Ca -0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1u1f h LEU 81 Cb 1.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1u1f h LEU 81 CO 0.10 1.11 0.15 0.00 0.09 0.00 0.00 178.44 179.88 1u1f h ALA 82 N 0.98 1.45 -0.41 1.53 0.00 -0.91 -1.02 119.26 120.87 1u1f h ALA 82 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1u1f h ALA 82 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1u1f h ALA 82 CO 0.05 0.41 -0.04 1.96 0.00 0.00 0.00 179.25 181.63 1u1f h GLN 83 N 0.61 0.69 0.00 0.00 4.20 -1.24 -2.90 115.11 116.47 1u1f h GLN 83 Ca 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1u1f h GLN 83 Cb 0.17 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1u1f h GLN 83 CO -0.01 0.73 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.76 1u1f h LEU 84 N 0.64 0.00 0.00 1.46 3.38 -1.17 -3.47 115.31 116.16 1u1f h LEU 84 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1u1f h LEU 84 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1u1f h LEU 84 CO 0.02 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1u1f n GLY 85 N 1.24 0.31 3.71 0.83 0.00 -0.76 -4.75 105.19 105.77 1u1f n GLY 85 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1u1f n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1f s ILE 86 N -1.06 4.88 -0.01 -0.61 -1.09 -0.46 -4.34 121.20 118.51 1u1f s ILE 86 Ca 0.00 2.01 0.03 0.00 -2.23 0.00 0.00 60.65 60.46 1u1f s ILE 86 Cb 0.00 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1u1f s ILE 86 CO 0.00 0.17 0.07 0.54 -1.23 0.00 0.00 174.94 174.48 1u1f n ARG 87 N 3.89 0.52 -4.96 2.79 5.12 0.72 -4.16 116.66 120.57 1u1f n ARG 87 Ca 0.05 -0.03 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 1u1f n ARG 87 Cb 0.51 -1.08 -0.17 0.00 -1.16 0.00 0.00 32.46 30.56 1u1f n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1f s THR 88 N -2.22 1.67 -0.09 0.55 2.01 0.10 -1.70 115.64 115.96 1u1f s THR 88 Ca -0.01 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1u1f s THR 88 Cb 0.02 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1u1f s THR 88 CO 0.14 0.47 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.00 1u1f s PHE 89 N 0.38 2.07 -0.22 4.92 0.40 0.75 -0.66 117.98 125.61 1u1f s PHE 89 Ca -0.15 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 1u1f s PHE 89 Cb -0.16 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 41.98 1u1f s PHE 89 CO 0.06 -0.39 -0.11 -0.51 0.70 0.00 0.00 175.22 174.97 1u1f s LEU 90 N 0.61 2.74 -0.11 -0.37 1.43 -0.23 -1.00 118.68 121.74 1u1f s LEU 90 Ca -0.14 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 51.68 1u1f s LEU 90 Cb -0.16 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1u1f s LEU 90 CO 0.04 -0.16 0.51 -0.60 0.23 0.00 0.00 176.35 176.37 1u1f s ARG 91 N 1.27 4.35 -0.15 1.70 3.52 -0.22 0.02 118.95 129.44 1u1f s ARG 91 Ca -0.04 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 1u1f s ARG 91 Cb -0.18 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1u1f s ARG 91 CO -0.07 0.13 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.86 1u1f s ILE 92 N 0.68 2.32 0.29 4.11 -1.16 -1.24 -1.21 121.20 125.00 1u1f s ILE 92 Ca 0.27 -0.88 0.05 0.00 -0.51 0.00 0.00 60.65 59.58 1u1f s ILE 92 Cb -0.15 -1.96 -0.02 0.00 0.61 0.00 0.00 42.46 40.94 1u1f s ILE 92 CO 0.11 0.53 0.20 0.61 -2.81 0.00 0.00 174.94 173.58 1u1f n GLY 93 N 4.14 3.21 3.80 1.50 0.00 -0.46 -4.12 105.19 113.26 1u1f n GLY 93 Ca -0.20 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 1u1f n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1f s THR 94 N -3.01 4.36 0.06 2.61 -4.23 -1.26 -1.61 115.64 112.56 1u1f s THR 94 Ca 0.28 -1.41 -0.20 0.00 -1.18 0.00 0.00 61.69 59.18 1u1f s THR 94 Cb 0.01 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.56 1u1f s THR 94 CO 0.20 -0.32 0.46 0.28 -0.54 0.00 0.00 174.62 174.70 1u1f s THR 95 N -2.10 0.04 -0.26 3.99 -1.32 -0.85 -4.82 115.64 110.33 1u1f s THR 95 Ca 0.32 -0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 60.37 1u1f s THR 95 Cb -0.08 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 1u1f s THR 95 CO 0.24 -0.20 0.08 -0.83 -2.21 0.00 0.00 174.62 171.70 1u1f s GLY 96 N -2.10 1.78 0.38 6.08 0.00 -1.06 -2.35 107.32 110.05 1u1f s GLY 96 Ca -0.04 -1.21 -0.24 0.00 0.00 0.00 0.00 44.72 43.23 1u1f s GLY 96 CO -0.03 0.57 0.98 0.00 0.00 0.00 0.00 173.10 174.62 1u1f s ALA 97 N 1.60 3.11 0.00 3.20 0.00 -0.12 -0.87 121.76 128.67 1u1f s ALA 97 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1u1f s ALA 97 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1u1f s ALA 97 CO 0.04 0.04 0.62 0.44 0.00 0.00 0.00 175.76 176.90 1u1f n ILE 98 N -0.03 0.26 -3.97 0.00 -5.35 -0.02 -1.20 119.36 109.06 1u1f n ILE 98 Ca 0.05 -0.62 -0.36 0.00 -0.27 0.00 0.00 62.75 61.55 1u1f n ILE 98 Cb 0.51 0.89 -0.07 0.00 -1.74 0.00 0.00 39.64 39.23 1u1f n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1f s GLN 99 N -0.26 3.52 0.49 6.28 -1.52 -1.23 -4.81 119.66 122.14 1u1f s GLN 99 Ca 0.00 -0.22 0.21 0.00 -1.95 0.00 0.00 55.36 53.40 1u1f s GLN 99 Cb 0.00 -3.15 1.27 0.00 -0.22 0.00 0.00 33.01 30.91 1u1f s GLN 99 CO 0.00 0.64 2.05 -1.35 -0.25 0.00 0.00 175.29 176.38 1u1f h PRO 100 N 5.45 0.00 0.00 2.91 0.11 -1.96 -2.80 132.00 135.71 1u1f h PRO 100 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u1f h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1f h PRO 100 CO 0.61 0.14 -0.16 -2.39 -0.21 0.00 0.00 178.00 175.99 1u1f n HIS 101 N -3.99 0.32 -3.27 0.65 1.44 -1.26 -4.73 115.22 104.38 1u1f n HIS 101 Ca -0.02 0.09 -0.40 0.00 -2.01 0.00 0.00 57.72 55.39 1u1f n HIS 101 Cb 0.22 -0.60 -0.08 0.00 0.12 0.00 0.00 29.99 29.66 1u1f n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1f s ILE 102 N -3.05 5.10 0.34 0.61 1.01 -1.06 -5.07 121.20 119.08 1u1f s ILE 102 Ca 0.12 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.66 1u1f s ILE 102 Cb 0.16 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1u1f s ILE 102 CO 0.60 0.13 0.50 0.20 0.00 0.00 0.00 174.94 176.37 1u1f s ASN 103 N 1.43 6.03 0.14 3.58 0.01 -1.26 -4.87 114.94 120.00 1u1f s ASN 103 Ca 0.21 0.03 -0.31 0.00 -0.71 0.00 0.00 52.86 52.07 1u1f s ASN 103 Cb -0.16 -1.49 -0.09 0.00 0.41 0.00 0.00 41.25 39.92 1u1f s ASN 103 CO 0.09 -0.41 1.53 -0.69 -1.51 0.00 0.00 177.10 176.11 1u1f s VAL 104 N -2.24 2.83 0.00 1.60 1.01 -1.26 -2.40 120.40 119.94 1u1f s VAL 104 Ca 0.43 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1u1f s VAL 104 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1u1f s VAL 104 CO 0.33 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1u1f n GLY 105 N 3.72 2.19 3.78 4.51 0.00 0.40 -5.02 105.19 114.77 1u1f n GLY 105 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1u1f n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1f s ASP 106 N -1.57 5.46 -0.08 1.61 1.01 -1.01 -4.73 116.67 117.36 1u1f s ASP 106 Ca 0.00 1.97 -0.01 0.00 0.71 0.00 0.00 52.55 55.22 1u1f s ASP 106 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1u1f s ASP 106 CO 0.00 -1.39 -0.02 0.68 0.21 0.00 0.00 175.17 174.65 1u1f s VAL 107 N -2.27 4.10 -0.11 -1.27 -7.23 -0.40 -0.75 120.40 112.47 1u1f s VAL 107 Ca 0.67 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.53 1u1f s VAL 107 Cb -0.19 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1u1f s VAL 107 CO 0.37 0.59 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.77 1u1f s LEU 108 N -0.89 2.05 -0.20 1.32 1.43 0.42 -1.81 118.68 121.00 1u1f s LEU 108 Ca 0.13 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1u1f s LEU 108 Cb -0.11 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1u1f s LEU 108 CO 0.02 0.13 0.05 -0.69 0.23 0.00 0.00 176.35 176.09 1u1f s VAL 109 N 0.49 4.53 -0.25 -1.59 1.01 -0.62 -1.17 120.40 122.79 1u1f s VAL 109 Ca -0.16 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1u1f s VAL 109 Cb -0.17 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1u1f s VAL 109 CO 0.06 0.43 0.45 -0.89 0.00 0.00 0.00 175.10 175.15 1u1f s THR 110 N 0.75 5.12 0.03 3.92 2.01 -0.66 -2.28 115.64 124.52 1u1f s THR 110 Ca 0.03 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.61 1u1f s THR 110 Cb -0.14 -3.77 -0.31 0.00 0.01 0.00 0.00 72.50 68.29 1u1f s THR 110 CO 0.02 0.13 1.04 0.71 -0.69 0.00 0.00 174.62 175.83 1u1f h THR 111 N 5.34 1.33 -2.87 -0.82 1.35 -1.61 -3.41 112.91 112.22 1u1f h THR 111 Ca -0.31 -2.51 0.03 0.00 -0.55 0.00 0.00 66.41 63.07 1u1f h THR 111 Cb 1.15 2.88 -0.10 0.00 -1.73 0.00 0.00 68.15 70.35 1u1f h THR 111 CO 0.69 0.75 0.27 0.00 -0.25 0.00 0.00 175.52 176.98 1u1f s ALA 112 N -2.79 -1.54 0.02 6.62 0.00 -1.26 -0.38 121.76 122.44 1u1f s ALA 112 Ca -0.10 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1u1f s ALA 112 Cb 0.04 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1u1f s ALA 112 CO 0.91 -0.84 -0.22 -1.12 0.00 0.00 0.00 175.76 174.49 1u1f s SER 113 N -2.77 2.65 -0.02 0.00 0.01 -0.19 -2.03 113.70 111.35 1u1f s SER 113 Ca 0.05 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1u1f s SER 113 Cb -0.02 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1u1f s SER 113 CO -0.07 0.22 1.39 -0.69 0.41 0.00 0.00 173.24 174.50 1u1f s VAL 114 N -0.68 3.80 -1.09 3.43 1.01 0.15 -4.34 120.40 122.67 1u1f s VAL 114 Ca 0.09 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 1u1f s VAL 114 Cb -0.09 -3.74 0.13 0.00 0.00 0.00 0.00 36.38 32.68 1u1f s VAL 114 CO 0.01 -0.02 1.36 -0.13 0.00 0.00 0.00 175.10 176.33 1u1f s ARG 115 N 2.56 3.83 -0.50 2.72 0.52 -1.26 -1.74 118.95 125.08 1u1f s ARG 115 Ca 0.63 -2.00 0.03 0.00 -0.52 0.00 0.00 55.73 53.86 1u1f s ARG 115 Cb -0.30 -5.11 0.57 0.00 0.52 0.00 0.00 34.95 30.62 1u1f s ARG 115 CO 0.25 -1.90 1.88 1.28 0.02 0.00 0.00 175.30 176.84 1u1f n LEU 116 N 6.79 6.71 -4.59 2.53 4.77 -0.58 -4.96 117.00 127.67 1u1f n LEU 116 Ca 0.33 -3.92 -0.27 0.00 -0.03 0.00 0.00 56.01 52.13 1u1f n LEU 116 Cb 0.47 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1u1f n LEU 116 CO 0.60 1.27 -0.27 1.51 -1.33 0.00 0.00 177.39 179.17 1u1f s ASP 117 N -1.72 3.45 -0.20 -1.43 -4.77 -1.23 -1.56 116.67 109.21 1u1f s ASP 117 Ca 0.58 -1.45 0.09 0.00 -3.30 0.00 0.00 52.55 48.47 1u1f s ASP 117 Cb 0.48 -0.09 -0.18 0.00 -1.09 0.00 0.00 42.92 42.04 1u1f s ASP 117 CO 0.05 -0.60 -0.07 0.61 0.70 0.00 0.00 175.17 175.87 1u1f n GLY 118 N -0.94 -0.58 0.28 2.12 0.00 -1.26 -4.66 105.19 100.15 1u1f n GLY 118 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1u1f n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f h ALA 119 N 0.43 1.39 -0.71 4.61 0.00 -1.98 -2.60 119.26 120.39 1u1f h ALA 119 Ca -0.48 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.31 1u1f h ALA 119 Cb 1.92 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1u1f h ALA 119 CO -0.03 0.43 0.47 0.66 0.00 0.00 0.00 179.25 180.79 1u1f h SER 120 N 0.55 0.67 0.48 0.00 4.64 -1.85 -1.16 113.55 116.88 1u1f h SER 120 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1u1f h SER 120 Cb 0.27 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1u1f h SER 120 CO 0.00 0.44 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.33 1u1f h LEU 121 N 0.76 0.00 0.00 5.97 3.38 -1.56 -1.56 115.31 122.30 1u1f h LEU 121 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1u1f h LEU 121 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1u1f h LEU 121 CO -0.10 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.84 1u1f n HIS 122 N -3.09 0.00 -0.00 1.13 8.25 -0.44 -3.87 115.22 117.20 1u1f n HIS 122 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1u1f n HIS 122 Cb 0.18 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 1u1f n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1f n PHE 123 N -1.23 0.00 -3.69 4.41 3.01 -0.67 -5.08 117.46 114.21 1u1f n PHE 123 Ca 0.16 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 1u1f n PHE 123 Cb 0.21 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 1u1f n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1f s ALA 124 N -2.02 -1.18 0.84 4.37 0.00 -0.69 -5.00 121.76 118.08 1u1f s ALA 124 Ca -0.01 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 1u1f s ALA 124 Cb 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.84 1u1f s ALA 124 CO 0.03 -0.26 1.17 -1.25 0.00 0.00 0.00 175.76 175.44 1u1f s PRO 125 N -0.49 1.48 0.42 0.00 0.04 -1.26 -3.84 135.00 131.35 1u1f s PRO 125 Ca -0.06 1.60 0.17 0.00 0.04 0.00 0.00 61.00 62.75 1u1f s PRO 125 Cb -0.03 -1.77 1.08 0.00 0.04 0.00 0.00 34.50 33.81 1u1f s PRO 125 CO 0.03 -2.30 1.86 1.25 0.04 0.00 0.00 177.00 177.88 1u1f h LEU 126 N -1.29 0.41 -2.42 -3.56 5.85 -1.93 -1.10 115.31 111.27 1u1f h LEU 126 Ca -0.45 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1u1f h LEU 126 Cb 1.28 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1f h LEU 126 CO 0.45 0.17 -0.02 1.05 -0.34 0.00 0.00 178.44 179.74 1u1f h GLU 127 N 0.41 0.00 -6.56 1.25 9.09 -2.03 -3.42 114.58 113.32 1u1f h GLU 127 Ca 0.46 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.34 1u1f h GLU 127 Cb 1.14 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1u1f h GLU 127 CO -0.17 0.02 0.62 0.12 0.05 0.00 0.00 179.01 179.64 1u1f s PHE 128 N -4.11 3.36 0.13 2.06 2.19 -0.42 -4.99 117.98 116.20 1u1f s PHE 128 Ca -0.03 1.22 -0.30 0.00 0.33 0.00 0.00 56.93 58.14 1u1f s PHE 128 Cb 0.12 -3.52 -0.07 0.00 -1.31 0.00 0.00 43.02 38.25 1u1f s PHE 128 CO 0.49 -1.64 1.17 -1.25 1.83 0.00 0.00 175.22 175.81 1u1f s PRO 129 N 0.70 4.49 -1.50 10.12 0.04 -1.26 -4.94 135.00 142.66 1u1f s PRO 129 Ca 0.59 1.78 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 1u1f s PRO 129 Cb -0.33 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1u1f s PRO 129 CO 0.32 -0.12 2.41 0.00 0.04 0.00 0.00 177.00 179.64 1u1f n ALA 130 N 3.13 6.04 -2.74 8.56 0.00 -1.26 -4.75 120.51 129.49 1u1f n ALA 130 Ca 0.06 -3.80 -0.37 0.00 0.00 0.00 0.00 53.44 49.33 1u1f n ALA 130 Cb 0.46 -3.50 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 1u1f n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1f s VAL 131 N 2.94 5.33 0.55 0.00 0.11 -1.26 -1.02 120.40 127.05 1u1f s VAL 131 Ca 0.53 0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 59.86 1u1f s VAL 131 Cb 0.15 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.42 1u1f s VAL 131 CO -0.08 0.60 1.02 0.00 -3.33 0.00 0.00 175.10 173.31 1u1f s ALA 132 N -1.02 2.94 0.25 1.54 0.00 0.49 -4.70 121.76 121.26 1u1f s ALA 132 Ca 0.18 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1u1f s ALA 132 Cb -0.14 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1u1f s ALA 132 CO 0.07 -0.50 1.43 0.34 0.00 0.00 0.00 175.76 177.11 1u1f s ASP 133 N -3.04 6.67 0.21 0.00 2.15 0.44 -4.93 116.67 118.17 1u1f s ASP 133 Ca 0.60 2.66 -0.10 0.00 0.43 0.00 0.00 52.55 56.14 1u1f s ASP 133 Cb -0.12 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.03 1u1f s ASP 133 CO 0.35 -0.69 1.85 0.15 -0.17 0.00 0.00 175.17 176.67 1u1f h PHE 134 N 4.94 1.00 -0.41 -5.34 3.04 -1.95 -0.75 116.94 117.47 1u1f h PHE 134 Ca -0.46 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.36 1u1f h PHE 134 Cb 1.22 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1u1f h PHE 134 CO 0.60 0.67 -0.26 0.93 -2.02 0.00 0.00 178.31 178.22 1u1f h GLU 135 N 1.04 0.87 -0.38 1.11 5.08 -1.95 -1.04 114.58 119.30 1u1f h GLU 135 Ca 0.27 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1u1f h GLU 135 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1u1f h GLU 135 CO -0.05 1.03 -0.03 0.00 -1.00 0.00 0.00 179.01 178.96 1u1f h THR 137 N 0.50 1.26 -0.22 0.00 2.02 -1.10 -1.77 112.91 113.61 1u1f h THR 137 Ca 0.10 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1u1f h THR 137 Cb 0.52 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1u1f h THR 137 CO 0.03 0.36 0.14 0.74 0.37 0.00 0.00 175.52 177.15 1u1f h THR 138 N 0.86 1.04 -0.61 3.16 2.02 -1.11 -1.33 112.91 116.94 1u1f h THR 138 Ca 0.18 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1u1f h THR 138 Cb 0.42 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1u1f h THR 138 CO 0.01 0.05 0.28 0.00 0.37 0.00 0.00 175.52 176.23 1u1f h ALA 139 N 1.09 1.34 -0.28 6.16 0.00 -1.11 -0.91 119.26 125.54 1u1f h ALA 139 Ca 0.08 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1u1f h ALA 139 Cb -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1u1f h ALA 139 CO -0.03 0.51 -0.44 -0.07 0.00 0.00 0.00 179.25 179.22 1u1f h LEU 140 N 0.87 0.88 -0.39 0.00 3.38 -1.09 -0.29 115.31 118.67 1u1f h LEU 140 Ca 0.21 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1u1f h LEU 140 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1u1f h LEU 140 CO -0.03 1.22 0.05 0.58 0.09 0.00 0.00 178.44 180.36 1u1f h VAL 141 N 0.56 1.24 -0.52 1.22 2.07 -1.03 -1.02 116.25 118.76 1u1f h VAL 141 Ca 0.03 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 1u1f h VAL 141 Cb 1.04 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1u1f h VAL 141 CO 0.10 0.30 -0.04 -0.33 0.02 0.00 0.00 177.57 177.62 1u1f h GLU 142 N 0.50 0.92 -0.43 1.57 5.08 -1.18 -1.79 114.58 119.26 1u1f h GLU 142 Ca 0.12 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1u1f h GLU 142 Cb 0.38 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1u1f h GLU 142 CO 0.01 0.94 -0.13 0.00 -1.00 0.00 0.00 179.01 178.83 1u1f h ALA 143 N 1.10 0.97 -0.55 3.43 0.00 -0.92 0.07 119.26 123.36 1u1f h ALA 143 Ca 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1u1f h ALA 143 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1u1f h ALA 143 CO 0.03 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.84 1u1f h ALA 144 N 1.15 0.86 0.00 0.00 0.00 -1.02 -2.72 119.26 117.53 1u1f h ALA 144 Ca 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1u1f h ALA 144 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1u1f h ALA 144 CO 0.04 0.66 -0.31 1.57 0.00 0.00 0.00 179.25 181.21 1u1f h LYS 145 N 0.90 0.00 -0.33 0.00 2.10 -1.12 -1.65 116.57 116.47 1u1f h LYS 145 Ca 0.15 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.69 1u1f h LYS 145 Cb 0.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1u1f h LYS 145 CO 0.04 0.31 -0.24 1.03 -2.00 0.00 0.00 179.45 178.58 1u1f h SER 146 N 0.00 0.78 0.57 7.07 0.87 -0.72 -3.18 113.55 118.94 1u1f h SER 146 Ca -0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1u1f h SER 146 Cb 0.93 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1u1f h SER 146 CO 0.04 1.06 -0.50 2.30 -0.53 0.00 0.00 176.83 179.19 1u1f n ILE 147 N -4.27 0.05 -2.19 2.23 -5.35 -1.05 -4.99 119.36 103.79 1u1f n ILE 147 Ca -0.03 -0.04 -0.02 0.00 -0.27 0.00 0.00 62.75 62.39 1u1f n ILE 147 Cb 0.45 0.16 0.01 0.00 -1.74 0.00 0.00 39.64 38.52 1u1f n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1f n GLY 148 N 1.48 0.34 3.94 3.28 0.00 -0.69 -5.07 105.19 108.46 1u1f n GLY 148 Ca 0.05 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1u1f n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f s ALA 149 N -3.05 3.95 -0.45 4.61 0.00 -0.80 -5.04 121.76 120.98 1u1f s ALA 149 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.65 1u1f s ALA 149 Cb -0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1u1f s ALA 149 CO 0.10 0.55 1.50 0.99 0.00 0.00 0.00 175.76 178.90 1u1f s THR 150 N -1.73 3.78 -0.04 0.00 2.01 -1.26 -4.78 115.64 113.61 1u1f s THR 150 Ca 0.34 0.75 0.05 0.00 0.31 0.00 0.00 61.69 63.14 1u1f s THR 150 Cb -0.11 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1u1f s THR 150 CO 0.28 -0.83 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.31 1u1f s THR 151 N 6.03 2.66 -0.06 -0.82 2.01 -1.26 -1.28 115.64 122.93 1u1f s THR 151 Ca 0.62 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1u1f s THR 151 Cb -0.14 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 1u1f s THR 151 CO 0.30 0.59 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.63 1u1f s HIS 152 N -0.66 1.95 -0.13 4.92 3.76 -0.75 -4.99 115.29 119.38 1u1f s HIS 152 Ca 0.10 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1u1f s HIS 152 Cb -0.10 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 1u1f s HIS 152 CO 0.00 -0.24 -0.12 0.08 -0.85 0.00 0.00 174.74 173.62 1u1f s VAL 153 N 0.15 3.20 -3.07 -0.90 1.01 -1.26 -1.58 120.40 117.94 1u1f s VAL 153 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1u1f s VAL 153 Cb -0.14 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1u1f s VAL 153 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1f n GLY 154 N 3.44 -0.57 3.81 4.51 0.00 -0.97 -4.99 105.19 110.43 1u1f n GLY 154 Ca -0.18 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1u1f n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1f s VAL 155 N -3.55 4.75 -0.02 1.61 1.01 -1.26 -1.52 120.40 121.41 1u1f s VAL 155 Ca 0.00 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.22 1u1f s VAL 155 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1u1f s VAL 155 CO 0.00 0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 174.49 1u1f s THR 156 N -1.17 2.45 -0.31 3.92 2.01 -0.86 -0.84 115.64 120.83 1u1f s THR 156 Ca 0.31 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 1u1f s THR 156 Cb -0.19 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1u1f s THR 156 CO 0.19 0.54 0.62 0.00 -0.69 0.00 0.00 174.62 175.28 1u1f s ALA 157 N -0.70 3.52 -0.37 7.40 0.00 0.05 0.31 121.76 131.97 1u1f s ALA 157 Ca 0.11 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 1u1f s ALA 157 Cb -0.10 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.96 1u1f s ALA 157 CO 0.00 -1.11 0.18 0.45 0.00 0.00 0.00 175.76 175.28 1u1f s SER 158 N 1.67 5.58 -0.02 0.00 0.15 -0.71 -1.76 113.70 118.61 1u1f s SER 158 Ca 0.25 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.77 1u1f s SER 158 Cb -0.15 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1u1f s SER 158 CO 0.12 -0.39 0.01 -0.55 1.20 0.00 0.00 173.24 173.63 1u1f s SER 159 N 1.59 5.22 0.04 5.45 0.15 0.41 -1.52 113.70 125.04 1u1f s SER 159 Ca 0.01 0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.94 1u1f s SER 159 Cb -0.20 -1.41 0.99 0.00 -1.71 0.00 0.00 66.02 63.70 1u1f s SER 159 CO 0.05 0.30 1.76 0.47 1.20 0.00 0.00 173.24 177.02 1u1f n ASP 160 N 1.52 0.13 -4.29 5.45 9.92 -0.60 -4.33 116.55 124.34 1u1f n ASP 160 Ca -0.15 0.52 -0.18 0.00 -0.53 0.00 0.00 54.79 54.45 1u1f n ASP 160 Cb 0.53 -0.55 -0.11 0.00 -0.64 0.00 0.00 41.12 40.35 1u1f n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1f s THR 161 N -3.03 1.49 0.03 -3.53 -4.23 -1.26 -5.01 115.64 100.10 1u1f s THR 161 Ca 0.11 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 1u1f s THR 161 Cb 0.15 -1.77 -0.24 0.00 1.34 0.00 0.00 72.50 71.98 1u1f s THR 161 CO 0.45 -0.50 0.93 0.15 -0.54 0.00 0.00 174.62 175.10 1u1f h PHE 162 N 3.09 0.15 0.00 3.99 3.57 -1.97 -3.39 116.94 122.38 1u1f h PHE 162 Ca -0.39 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1u1f h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1f h PHE 162 CO 0.67 1.13 0.00 0.66 -2.23 0.00 0.00 178.31 178.55 1u1f n TYR 163 N -3.28 0.00 -0.13 0.41 4.02 -1.26 -4.32 117.16 112.59 1u1f n TYR 163 Ca -0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.73 1u1f n TYR 163 Cb 1.01 -0.00 0.15 0.00 -0.02 0.00 0.00 39.34 40.47 1u1f n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1f h PRO 164 N 0.00 0.85 0.00 -0.72 0.13 -1.87 0.14 132.00 130.53 1u1f h PRO 164 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1u1f h PRO 164 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1u1f h PRO 164 CO 0.00 0.82 0.00 0.78 -0.23 0.00 0.00 178.00 179.37 1u1f h GLY 165 N 0.99 0.00 -2.07 1.56 0.00 -1.87 -1.50 103.07 100.19 1u1f h GLY 165 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1u1f h GLY 165 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1u1f n GLN 166 N -2.87 3.39 -3.94 4.80 6.02 -0.90 -4.94 117.38 118.94 1u1f n GLN 166 Ca 0.01 -2.85 -0.30 0.00 -0.01 0.00 0.00 57.00 53.85 1u1f n GLN 166 Cb 0.27 -1.89 -0.01 0.00 1.02 0.00 0.00 30.24 29.63 1u1f n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1f n GLU 167 N -0.09 -2.20 -3.43 -1.09 2.13 -0.56 -4.95 120.64 110.45 1u1f n GLU 167 Ca 0.22 0.34 -0.37 0.00 0.66 0.00 0.00 57.16 58.01 1u1f n GLU 167 Cb 0.92 -4.10 -0.07 0.00 0.27 0.00 0.00 31.44 28.46 1u1f n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1f s ARG 168 N -6.61 4.26 -0.01 5.31 0.52 0.44 -4.97 118.95 117.90 1u1f s ARG 168 Ca 0.17 0.23 0.17 0.00 -0.52 0.00 0.00 55.73 55.78 1u1f s ARG 168 Cb -0.07 -3.46 -0.21 0.00 0.52 0.00 0.00 34.95 31.73 1u1f s ARG 168 CO 0.90 0.14 0.62 0.66 0.02 0.00 0.00 175.30 177.64 1u1f n TYR 169 N 3.85 0.00 -1.55 -0.53 4.02 -1.26 -4.40 117.16 117.29 1u1f n TYR 169 Ca -0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.39 1u1f n TYR 169 Cb 0.52 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.72 1u1f n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1f n ASP 170 N -1.59 4.80 -3.97 7.72 4.64 -1.26 -4.21 116.55 122.68 1u1f n ASP 170 Ca 0.01 -2.75 -0.24 0.00 -1.38 0.00 0.00 54.79 50.43 1u1f n ASP 170 Cb 0.31 -1.57 -0.08 0.00 -1.04 0.00 0.00 41.12 38.74 1u1f n ASP 170 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1u1f s THR 171 N 3.17 0.47 0.10 5.18 -4.23 -1.26 -5.02 115.64 114.04 1u1f s THR 171 Ca 0.53 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.81 1u1f s THR 171 Cb 0.15 -2.37 -0.13 0.00 1.34 0.00 0.00 72.50 71.48 1u1f s THR 171 CO -0.06 0.00 1.74 0.22 -0.54 0.00 0.00 174.62 175.98 1u1f h TYR 172 N 1.86 0.01 0.04 3.99 5.03 -1.99 -3.12 116.97 122.79 1u1f h TYR 172 Ca -0.33 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 60.75 1u1f h TYR 172 Cb 1.27 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.54 1u1f h TYR 172 CO 1.54 0.00 -1.01 0.66 -1.32 0.00 0.00 178.16 178.03 1u1f h SER 173 N 0.02 0.28 -0.23 -2.11 4.64 -1.97 -3.47 113.55 110.70 1u1f h SER 173 Ca 0.01 -0.26 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1u1f h SER 173 Cb 0.01 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1u1f h SER 173 CO -0.02 1.13 -0.09 0.61 -0.87 0.00 0.00 176.83 177.59 1u1f n GLY 174 N 1.15 0.75 3.18 -0.77 0.00 -1.18 -5.01 105.19 103.30 1u1f n GLY 174 Ca -0.05 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1u1f n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1f s ARG 175 N -2.02 0.85 -0.07 1.61 1.70 -1.26 -4.92 118.95 114.86 1u1f s ARG 175 Ca 0.00 -1.24 0.03 0.00 -0.47 0.00 0.00 55.73 54.06 1u1f s ARG 175 Cb 0.00 -0.42 0.00 0.00 -0.57 0.00 0.00 34.95 33.97 1u1f s ARG 175 CO 0.00 0.04 -0.17 0.08 -1.08 0.00 0.00 175.30 174.18 1u1f s VAL 176 N -2.92 1.46 0.48 4.99 1.01 -1.26 -4.93 120.40 119.23 1u1f s VAL 176 Ca 0.08 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1u1f s VAL 176 Cb 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1u1f s VAL 176 CO -0.02 0.42 0.96 0.55 0.00 0.00 0.00 175.10 177.02 1u1f n VAL 177 N 3.50 2.74 -0.30 2.92 3.14 -1.26 -4.60 118.33 124.46 1u1f n VAL 177 Ca -0.20 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.78 1u1f n VAL 177 Cb 0.52 -1.13 0.24 0.00 -1.06 0.00 0.00 33.84 32.42 1u1f n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1f h ARG 178 N 1.18 0.08 -0.71 1.45 2.43 -2.00 -0.44 114.38 116.36 1u1f h ARG 178 Ca -0.46 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 58.84 1u1f h ARG 178 Cb 1.35 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.83 1u1f h ARG 178 CO 0.55 0.05 0.48 1.25 -1.51 0.00 0.00 179.97 180.78 1u1f h HIS 179 N 0.08 0.48 -0.02 2.20 2.76 -2.02 -2.06 115.15 116.57 1u1f h HIS 179 Ca 0.52 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1u1f h HIS 179 Cb 1.01 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1u1f h HIS 179 CO -0.44 0.20 -0.02 1.19 -1.30 0.00 0.00 177.93 177.56 1u1f n PHE 180 N -4.48 0.00 -2.03 5.26 3.01 -0.22 -4.79 117.46 114.21 1u1f n PHE 180 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 1u1f n PHE 180 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 1u1f n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1f s LYS 181 N -1.61 4.19 -0.08 -1.08 -0.14 -0.77 -2.24 119.74 118.01 1u1f s LYS 181 Ca 0.22 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 1u1f s LYS 181 Cb 0.16 -3.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.39 1u1f s LYS 181 CO 0.25 -0.81 0.00 0.41 -0.76 0.00 0.00 175.35 174.43 1u1f n GLY 182 N 4.07 0.44 0.20 -3.33 0.00 -1.26 -4.93 105.19 100.38 1u1f n GLY 182 Ca 0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1u1f n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1f h SER 183 N 0.00 0.64 -0.31 1.61 4.64 -1.75 -2.96 113.55 115.40 1u1f h SER 183 Ca -0.02 -0.38 0.02 0.00 -0.47 0.00 0.00 61.79 60.94 1u1f h SER 183 Cb 0.25 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1u1f h SER 183 CO 0.02 1.12 0.17 -0.03 -0.87 0.00 0.00 176.83 177.25 1u1f h MET 184 N 0.40 0.34 -0.95 4.77 -1.53 -1.92 -0.67 114.93 115.37 1u1f h MET 184 Ca -0.02 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.27 1u1f h MET 184 Cb 1.23 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 32.14 1u1f h MET 184 CO 0.12 0.23 0.62 1.49 0.14 0.00 0.00 176.91 179.51 1u1f h GLU 185 N 0.35 1.13 -0.27 0.39 4.81 -1.97 -0.20 114.58 118.82 1u1f h GLU 185 Ca 0.12 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1u1f h GLU 185 Cb 0.02 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1u1f h GLU 185 CO -0.07 0.75 0.04 1.49 -0.73 0.00 0.00 179.01 180.48 1u1f h GLU 186 N 1.16 0.45 -0.70 1.92 4.57 -1.23 -1.87 114.58 118.88 1u1f h GLU 186 Ca 0.39 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1u1f h GLU 186 Cb 0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1u1f h GLU 186 CO -0.13 0.58 0.28 -1.49 -1.18 0.00 0.00 179.01 177.07 1u1f h TRP 187 N 0.26 1.06 -0.39 0.92 -0.00 -0.83 -2.39 115.95 114.59 1u1f h TRP 187 Ca 0.08 -0.08 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 1u1f h TRP 187 Cb 0.35 -0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 29.15 1u1f h TRP 187 CO 0.02 0.82 0.14 1.96 -0.00 0.00 0.00 178.44 181.38 1u1f h GLN 188 N 1.00 0.29 0.00 0.49 4.20 -0.93 -1.25 115.11 118.92 1u1f h GLN 188 Ca 0.23 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1u1f h GLN 188 Cb 0.20 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1u1f h GLN 188 CO -0.02 0.19 -0.18 0.00 -0.67 0.00 0.00 178.83 178.15 1u1f h ALA 189 N 1.25 1.34 -0.08 3.87 0.00 -1.20 -2.32 119.26 122.11 1u1f h ALA 189 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u1f h ALA 189 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u1f h ALA 189 CO -0.18 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 1u1f n MET 190 N -3.79 1.51 -0.95 0.00 2.81 -0.69 -4.92 117.12 111.09 1u1f n MET 190 Ca -0.02 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.11 1u1f n MET 190 Cb 0.29 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1u1f n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1f n GLY 191 N 1.07 0.50 3.73 3.03 0.00 -0.87 -5.02 105.19 107.62 1u1f n GLY 191 Ca 0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1u1f n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1f s VAL 192 N -2.00 2.70 -0.02 1.61 1.01 -0.56 -4.60 120.40 118.54 1u1f s VAL 192 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 1u1f s VAL 192 Cb 0.00 -3.34 -0.29 0.00 0.00 0.00 0.00 36.38 32.75 1u1f s VAL 192 CO 0.00 0.05 0.97 0.24 0.00 0.00 0.00 175.10 176.36 1u1f h MET 193 N 6.25 0.36 -3.09 2.72 0.00 -1.31 -3.42 114.93 116.44 1u1f h MET 193 Ca -0.44 -0.53 0.05 0.00 0.00 0.00 0.00 59.70 58.78 1u1f h MET 193 Cb 1.21 0.19 -0.06 0.00 0.00 0.00 0.00 31.60 32.94 1u1f h MET 193 CO 0.87 1.22 0.18 0.54 0.00 0.00 0.00 176.91 179.72 1u1f s ASN 194 N -6.97 -0.25 -0.13 1.22 4.22 -1.26 -0.84 114.94 110.93 1u1f s ASN 194 Ca -0.13 -0.63 -0.01 0.00 -2.14 0.00 0.00 52.86 49.95 1u1f s ASN 194 Cb 0.02 0.70 -0.02 0.00 1.28 0.00 0.00 41.25 43.23 1u1f s ASN 194 CO 0.84 -1.30 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.19 1u1f s TYR 195 N -3.93 2.87 0.00 1.54 4.12 -0.05 -0.77 117.35 121.13 1u1f s TYR 195 Ca 0.12 -0.52 0.00 0.00 0.02 0.00 0.00 57.07 56.70 1u1f s TYR 195 Cb -0.05 -1.87 0.00 0.00 -1.52 0.00 0.00 41.96 38.52 1u1f s TYR 195 CO 0.06 -0.14 0.00 -0.85 0.02 0.00 0.00 175.55 174.65 1u1f n GLU 196 N 3.46 0.00 0.00 -0.62 -0.00 -0.72 -2.57 120.64 120.19 1u1f n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1f n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1f n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1f n MET 197 N 0.00 0.51 0.00 3.44 2.81 -1.26 -0.44 117.12 122.17 1u1f n MET 197 Ca 0.00 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 1u1f n MET 197 Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 1u1f n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1f n GLU 198 N -0.13 2.41 -0.36 0.03 4.71 -1.26 -3.62 120.64 122.41 1u1f n GLU 198 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1u1f n GLU 198 Cb 0.25 -0.72 0.10 0.00 -1.01 0.00 0.00 31.44 30.06 1u1f n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1f h SER 199 N 0.00 1.13 -0.47 1.62 4.64 -1.94 -2.04 113.55 116.49 1u1f h SER 199 Ca 0.00 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1u1f h SER 199 Cb 0.26 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1u1f h SER 199 CO 0.00 0.83 0.24 0.00 -0.87 0.00 0.00 176.83 177.03 1u1f h ALA 200 N 1.34 0.59 0.28 5.18 0.00 -1.87 0.16 119.26 124.94 1u1f h ALA 200 Ca 0.35 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1u1f h ALA 200 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1u1f h ALA 200 CO -0.07 -0.11 -0.13 1.15 0.00 0.00 0.00 179.25 180.08 1u1f h THR 201 N 0.47 0.76 0.06 0.00 2.02 -1.85 -2.08 112.91 112.28 1u1f h THR 201 Ca 0.20 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1u1f h THR 201 Cb 0.11 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1u1f h THR 201 CO -0.14 0.09 -0.19 0.25 0.37 0.00 0.00 175.52 175.90 1u1f h LEU 202 N -0.62 -0.54 -0.57 2.58 5.85 -1.19 -0.96 115.31 119.86 1u1f h LEU 202 Ca -0.04 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1u1f h LEU 202 Cb 0.44 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1u1f h LEU 202 CO 0.06 -0.26 0.02 -0.07 -0.34 0.00 0.00 178.44 177.85 1u1f h LEU 203 N -0.34 0.97 -0.05 2.25 3.38 -0.75 -1.95 115.31 118.82 1u1f h LEU 203 Ca 0.04 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1u1f h LEU 203 Cb 0.38 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1u1f h LEU 203 CO -0.14 1.02 0.01 0.74 0.09 0.00 0.00 178.44 180.16 1u1f h THR 204 N 0.88 1.21 0.00 0.22 2.02 -1.28 -1.44 112.91 114.52 1u1f h THR 204 Ca 0.16 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 1u1f h THR 204 Cb 0.51 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1u1f h THR 204 CO 0.02 0.17 -0.30 0.00 0.37 0.00 0.00 175.52 175.79 1u1f h MET 205 N -0.17 0.00 0.08 6.66 -0.00 -1.13 -2.10 114.93 118.26 1u1f h MET 205 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.59 1u1f h MET 205 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.88 1u1f h MET 205 CO 0.00 0.30 -0.56 0.00 -0.00 0.00 0.00 176.91 176.65 1u1f h ALA 207 N 0.02 1.24 -0.36 0.00 0.00 -1.20 0.29 119.26 119.25 1u1f h ALA 207 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u1f h ALA 207 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1u1f h ALA 207 CO 0.07 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 1u1f n SER 208 N -3.59 3.16 -0.16 0.00 3.41 -0.80 -4.29 113.62 111.35 1u1f n SER 208 Ca -0.02 -1.95 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 1u1f n SER 208 Cb 0.26 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1u1f n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1f n GLN 209 N 1.30 0.77 -1.73 4.33 6.02 -0.88 -5.01 117.38 122.18 1u1f n GLN 209 Ca 0.19 -1.19 -0.09 0.00 -0.01 0.00 0.00 57.00 55.90 1u1f n GLN 209 Cb 0.56 -0.76 -0.02 0.00 1.02 0.00 0.00 30.24 31.04 1u1f n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1f n GLY 210 N -0.33 0.52 3.66 1.08 0.00 -1.00 -5.03 105.19 104.09 1u1f n GLY 210 Ca 0.03 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1u1f n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1f s LEU 211 N -2.34 3.44 -0.06 0.99 1.43 0.04 -5.05 118.68 117.13 1u1f s LEU 211 Ca 0.00 -0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 1u1f s LEU 211 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1u1f s LEU 211 CO 0.00 0.30 0.63 -0.13 0.23 0.00 0.00 176.35 177.37 1u1f s ARG 212 N -1.41 4.39 -0.00 1.70 0.52 -0.69 -3.83 118.95 119.62 1u1f s ARG 212 Ca 0.18 0.76 0.01 0.00 -0.52 0.00 0.00 55.73 56.16 1u1f s ARG 212 Cb -0.11 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 1u1f s ARG 212 CO 0.08 0.17 -0.05 0.00 0.02 0.00 0.00 175.30 175.52 1u1f s ALA 213 N 0.49 0.39 0.12 2.13 0.00 -1.26 -0.18 121.76 123.45 1u1f s ALA 213 Ca 0.33 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1u1f s ALA 213 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1u1f s ALA 213 CO 0.16 0.09 -0.13 0.20 0.00 0.00 0.00 175.76 176.09 1u1f s GLY 214 N -0.10 1.05 -0.04 0.00 0.00 -0.17 -0.42 107.32 107.63 1u1f s GLY 214 Ca 0.02 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.43 1u1f s GLY 214 CO -0.00 -1.36 0.04 -0.29 0.00 0.00 0.00 173.10 171.49 1u1f s MET 215 N -2.78 0.07 0.02 2.90 1.75 -1.26 -1.05 119.30 118.94 1u1f s MET 215 Ca 0.09 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.82 1u1f s MET 215 Cb -0.04 -0.52 -0.02 0.00 2.84 0.00 0.00 34.83 37.10 1u1f s MET 215 CO 0.02 -0.27 -0.07 0.54 -0.65 0.00 0.00 175.02 174.60 1u1f s VAL 216 N 1.79 0.49 -0.03 10.11 0.11 -0.35 -1.66 120.40 130.86 1u1f s VAL 216 Ca 0.00 -0.70 -0.10 0.00 -2.93 0.00 0.00 61.98 58.25 1u1f s VAL 216 Cb -0.12 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1u1f s VAL 216 CO -0.03 -0.16 0.23 0.00 -3.33 0.00 0.00 175.10 171.81 1u1f s ALA 217 N -0.81 -0.57 -0.14 1.54 0.00 -0.32 -1.35 121.76 120.10 1u1f s ALA 217 Ca -0.05 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 1u1f s ALA 217 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1u1f s ALA 217 CO 0.00 -0.20 0.27 0.20 0.00 0.00 0.00 175.76 176.03 1u1f s GLY 218 N -0.93 2.21 -0.32 0.00 0.00 -0.63 -0.44 107.32 107.22 1u1f s GLY 218 Ca -0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1u1f s GLY 218 CO 0.02 0.26 1.15 0.14 0.00 0.00 0.00 173.10 174.68 1u1f s VAL 219 N 0.09 4.37 -0.30 1.40 1.01 0.08 -2.00 120.40 125.05 1u1f s VAL 219 Ca 0.16 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.80 1u1f s VAL 219 Cb -0.13 -4.34 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 1u1f s VAL 219 CO 0.04 -0.50 0.33 2.30 0.00 0.00 0.00 175.10 177.27 1u1f n ILE 220 N 6.01 0.00 -3.81 2.22 -5.35 -0.99 -0.45 119.36 116.99 1u1f n ILE 220 Ca 0.13 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1u1f n ILE 220 Cb 0.47 0.78 -0.10 0.00 -1.74 0.00 0.00 39.64 39.05 1u1f n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1f s VAL 221 N -2.10 0.04 -0.16 7.28 0.11 -1.23 -4.27 120.40 120.08 1u1f s VAL 221 Ca 0.01 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1u1f s VAL 221 Cb 0.07 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1u1f s VAL 221 CO 0.38 -0.20 -0.20 0.21 -3.33 0.00 0.00 175.10 171.96 1u1f s ASN 222 N -0.78 3.25 0.53 3.54 3.84 -1.25 -0.94 114.94 123.12 1u1f s ASN 222 Ca -0.09 -0.59 0.32 0.00 0.21 0.00 0.00 52.86 52.71 1u1f s ASN 222 Cb -0.05 -1.49 1.16 0.00 -0.55 0.00 0.00 41.25 40.33 1u1f s ASN 222 CO 0.02 0.05 1.91 0.03 -2.79 0.00 0.00 177.10 176.32 1u1f h ARG 223 N 7.56 0.00 -0.01 0.43 2.47 -1.40 -1.28 114.38 122.15 1u1f h ARG 223 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1u1f h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1f h ARG 223 CO 0.59 0.00 -0.35 0.25 0.56 0.00 0.00 179.97 181.02 1u1f n THR 224 N -3.08 0.00 0.00 2.04 -2.24 -1.26 -4.70 114.28 105.04 1u1f n THR 224 Ca 0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1u1f n THR 224 Cb 0.35 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1u1f n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1f n GLN 225 N -0.71 0.00 -3.78 -0.78 6.02 -0.88 -5.08 117.38 112.17 1u1f n GLN 225 Ca 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.97 1u1f n GLN 225 Cb 0.36 -0.10 -0.12 0.00 1.02 0.00 0.00 30.24 31.40 1u1f n GLN 225 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u1f s GLN 226 N -0.87 0.21 0.08 -1.09 0.74 -0.54 -5.06 119.66 113.13 1u1f s GLN 226 Ca 0.00 0.34 0.06 0.00 0.05 0.00 0.00 55.36 55.80 1u1f s GLN 226 Cb 0.00 0.04 -0.23 0.00 1.10 0.00 0.00 33.01 33.92 1u1f s GLN 226 CO 0.00 -0.07 1.12 0.93 -0.55 0.00 0.00 175.29 176.72 1u1f h GLU 227 N 6.23 0.06 -5.60 1.67 4.39 -1.91 -3.32 114.58 116.10 1u1f h GLU 227 Ca -0.30 -0.10 -0.59 0.00 0.34 0.00 0.00 59.36 58.71 1u1f h GLU 227 Cb 1.18 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.78 1u1f h GLU 227 CO 0.38 0.96 -0.20 0.96 -1.16 0.00 0.00 179.01 179.95 1u1f s ILE 228 N -2.68 5.22 0.67 3.13 -4.36 -1.26 -4.97 121.20 116.96 1u1f s ILE 228 Ca -0.02 0.79 -0.17 0.00 -0.26 0.00 0.00 60.65 61.00 1u1f s ILE 228 Cb 0.09 -3.75 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1u1f s ILE 228 CO 0.83 0.32 1.28 -2.84 0.24 0.00 0.00 174.94 174.77 1u1f s PRO 229 N 0.78 2.41 0.89 0.37 0.02 -1.26 -5.01 135.00 133.19 1u1f s PRO 229 Ca 0.22 2.01 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 1u1f s PRO 229 Cb -0.14 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.69 1u1f s PRO 229 CO 0.08 -1.69 1.25 -0.80 -0.33 0.00 0.00 177.00 175.51 1u1f s ASN 230 N -1.52 3.74 0.00 2.53 0.01 -1.26 -5.07 114.94 113.37 1u1f s ASN 230 Ca 0.81 0.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 1u1f s ASN 230 Cb -0.36 -0.78 0.00 0.00 0.41 0.00 0.00 41.25 40.52 1u1f s ASN 230 CO 0.41 -2.37 0.00 0.00 -1.51 0.00 0.00 177.10 173.64 1u1f n ALA 231 N -3.57 0.00 0.08 0.60 0.00 -1.26 -4.22 120.51 112.14 1u1f n ALA 231 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1u1f n ALA 231 Cb 0.60 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.24 1u1f n ALA 231 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u1f h GLU 232 N 0.00 0.26 0.00 0.00 4.81 -2.01 -3.15 114.58 114.49 1u1f h GLU 232 Ca 0.00 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1u1f h GLU 232 Cb 0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1u1f h GLU 232 CO 0.00 0.68 -0.11 1.79 -0.73 0.00 0.00 179.01 180.64 1u1f h THR 233 N 0.21 0.71 0.07 0.32 1.35 -1.98 -0.57 112.91 113.02 1u1f h THR 233 Ca 0.01 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1u1f h THR 233 Cb 0.91 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1u1f h THR 233 CO 0.07 0.11 -0.03 -0.03 -0.25 0.00 0.00 175.52 175.39 1u1f h MET 234 N 0.00 -0.09 -0.12 4.72 1.85 -1.72 -0.96 114.93 118.62 1u1f h MET 234 Ca -0.00 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 1u1f h MET 234 Cb 0.26 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 1u1f h MET 234 CO 0.01 0.15 -0.29 0.87 -0.40 0.00 0.00 176.91 177.26 1u1f h LYS 235 N -0.32 0.21 -0.39 0.39 1.57 -1.58 -2.76 116.57 113.68 1u1f h LYS 235 Ca -0.01 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1u1f h LYS 235 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1u1f h LYS 235 CO 0.02 0.49 -0.10 0.37 -0.57 0.00 0.00 179.45 179.66 1u1f h GLN 236 N 0.19 0.68 -0.16 3.15 4.15 -1.02 -3.15 115.11 118.94 1u1f h GLN 236 Ca 0.03 -0.21 -0.15 0.00 0.77 0.00 0.00 58.65 59.09 1u1f h GLN 236 Cb 0.62 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1u1f h GLN 236 CO 0.05 0.77 -0.53 1.15 -1.93 0.00 0.00 178.83 178.34 1u1f h THR 237 N 0.62 1.33 -0.01 2.39 2.02 -0.89 -2.09 112.91 116.28 1u1f h THR 237 Ca 0.11 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 1u1f h THR 237 Cb 0.54 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1u1f h THR 237 CO 0.03 0.54 0.01 -0.08 0.37 0.00 0.00 175.52 176.39 1u1f h GLU 238 N 0.36 0.02 0.00 6.66 4.81 -1.49 -0.54 114.58 124.40 1u1f h GLU 238 Ca 0.01 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1u1f h GLU 238 Cb 1.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1u1f h GLU 238 CO 0.09 0.17 -0.32 1.03 -0.73 0.00 0.00 179.01 179.26 1u1f h SER 239 N -0.14 0.00 -0.34 1.04 0.87 -1.59 -0.37 113.55 113.02 1u1f h SER 239 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1u1f h SER 239 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1u1f h SER 239 CO -0.00 0.32 0.05 -0.74 -0.53 0.00 0.00 176.83 175.93 1u1f h HIS 240 N 0.00 0.60 0.00 2.24 -0.00 -1.09 -3.07 115.15 113.83 1u1f h HIS 240 Ca -0.00 -0.09 -0.17 0.00 -0.00 0.00 0.00 60.37 60.11 1u1f h HIS 240 Cb 0.59 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1u1f h HIS 240 CO 0.00 0.63 -0.83 0.00 -0.00 0.00 0.00 177.93 177.74 1u1f h ALA 241 N 0.89 0.53 -0.74 5.26 0.00 -0.84 -3.30 119.26 121.06 1u1f h ALA 241 Ca 0.10 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1u1f h ALA 241 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1u1f h ALA 241 CO 0.01 1.03 0.24 0.28 0.00 0.00 0.00 179.25 180.81 1u1f h VAL 242 N 0.00 1.26 -0.56 0.00 2.07 -1.08 -2.99 116.25 114.95 1u1f h VAL 242 Ca -0.01 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1u1f h VAL 242 Cb 1.56 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1u1f h VAL 242 CO 0.11 0.36 0.22 0.50 0.02 0.00 0.00 177.57 178.77 1u1f h LYS 243 N 1.10 0.81 -0.21 1.57 3.64 -1.61 -2.99 116.57 118.88 1u1f h LYS 243 Ca 0.24 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1u1f h LYS 243 Cb 0.30 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1u1f h LYS 243 CO -0.01 0.67 -0.00 0.82 -2.27 0.00 0.00 179.45 178.66 1u1f h ILE 244 N 0.80 1.26 0.00 2.00 2.04 -1.65 -2.28 117.51 119.68 1u1f h ILE 244 Ca 0.19 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1u1f h ILE 244 Cb 0.17 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1u1f h ILE 244 CO -0.02 0.27 -0.06 1.62 0.00 0.00 0.00 178.15 179.96 1u1f h VAL 245 N 0.13 0.34 0.17 1.67 3.04 -1.42 0.16 116.25 120.34 1u1f h VAL 245 Ca 0.06 -0.37 -0.33 0.00 -1.01 0.00 0.00 66.70 65.05 1u1f h VAL 245 Cb 0.40 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1u1f h VAL 245 CO 0.01 0.06 -1.62 0.58 -1.01 0.00 0.00 177.57 175.60 1u1f h VAL 246 N 0.00 1.08 -0.22 1.51 2.07 -1.46 -2.90 116.25 116.33 1u1f h VAL 246 Ca -0.00 -2.67 -0.11 0.00 0.82 0.00 0.00 66.70 64.74 1u1f h VAL 246 Cb 0.27 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1u1f h VAL 246 CO 0.01 0.84 -0.34 -0.08 0.02 0.00 0.00 177.57 178.01 1u1f h GLU 247 N 0.10 0.47 -0.17 1.57 4.57 -0.78 -2.45 114.58 117.90 1u1f h GLU 247 Ca -0.29 -0.21 -0.13 0.00 -1.18 0.00 0.00 59.36 57.55 1u1f h GLU 247 Cb 2.07 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 1u1f h GLU 247 CO 0.19 0.75 -0.46 0.00 -1.18 0.00 0.00 179.01 178.31 1u1f h ALA 248 N 1.24 0.91 0.00 2.92 0.00 -0.83 -2.90 119.26 120.60 1u1f h ALA 248 Ca 0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1u1f h ALA 248 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1u1f h ALA 248 CO 0.06 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.73 1u1f h ALA 249 N 1.18 1.51 -0.20 0.00 0.00 -1.27 -2.49 119.26 117.99 1u1f h ALA 249 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1u1f h ALA 249 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1u1f h ALA 249 CO 0.08 0.29 -0.30 0.00 0.00 0.00 0.00 179.25 179.32 1u1f h ARG 250 N 0.00 0.39 0.00 0.00 3.08 -1.23 -2.88 114.38 113.74 1u1f h ARG 250 Ca -0.00 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1u1f h ARG 250 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1u1f h ARG 250 CO 0.03 0.65 -0.22 0.00 -1.07 0.00 0.00 179.97 179.37 1u1f h ARG 251 N 0.34 0.00 0.00 0.04 3.08 -1.43 -3.31 114.38 113.10 1u1f h ARG 251 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1u1f h ARG 251 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1u1f h ARG 251 CO 0.05 0.22 -0.90 1.28 -1.07 0.00 0.00 179.97 179.55 1u1f n LEU 252 N -3.17 0.81 0.00 3.04 4.77 -1.08 -5.06 117.00 116.31 1u1f n LEU 252 Ca 0.03 -0.31 0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1u1f n LEU 252 Cb 0.60 -0.07 0.89 0.00 -2.33 0.00 0.00 43.42 42.51 1u1f n LEU 252 CO 0.36 0.19 1.06 0.18 -1.33 0.00 0.00 177.39 177.85