#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1c h ASP 5 N 0.00 0.00 -1.99 -3.46 3.32 -1.62 -3.48 116.42 109.19 1u1c h ASP 5 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1u1c h ASP 5 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1u1c h ASP 5 CO 0.00 0.34 -0.57 0.68 -1.72 0.00 0.00 179.24 177.97 1u1c s VAL 6 N -3.07 3.24 0.10 -1.35 -7.23 -1.21 -5.05 120.40 105.82 1u1c s VAL 6 Ca 0.01 -1.74 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1u1c s VAL 6 Cb 0.08 -2.97 -0.25 0.00 0.56 0.00 0.00 36.38 33.80 1u1c s VAL 6 CO 0.76 -0.25 1.20 -0.26 -0.31 0.00 0.00 175.10 176.25 1u1c h PHE 7 N 1.64 0.33 0.00 2.82 0.05 -1.95 -3.39 116.94 116.44 1u1c h PHE 7 Ca -0.44 -0.23 -0.00 0.00 3.82 0.00 0.00 57.97 61.11 1u1c h PHE 7 Cb 1.25 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 39.19 1u1c h PHE 7 CO 0.64 1.17 -1.01 0.72 -0.18 0.00 0.00 178.31 179.65 1u1c n HIS 8 N -3.49 0.00 0.17 -0.55 8.25 -1.26 -4.79 115.22 113.55 1u1c n HIS 8 Ca -0.05 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1u1c n HIS 8 Cb 0.98 -0.00 0.20 0.00 1.12 0.00 0.00 29.99 32.29 1u1c n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1c h LEU 9 N -0.00 0.00 -1.48 2.41 3.38 -1.92 -3.45 115.31 114.26 1u1c h LEU 9 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1u1c h LEU 9 Cb 1.00 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.85 1u1c h LEU 9 CO -0.00 0.41 -0.43 0.61 0.09 0.00 0.00 178.44 179.12 1u1c n GLY 10 N 0.71 0.01 3.24 0.83 0.00 -1.26 -4.70 105.19 104.03 1u1c n GLY 10 Ca 0.01 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1u1c n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1c s LEU 11 N -4.58 2.38 0.26 0.99 1.43 -1.26 -4.83 118.68 113.06 1u1c s LEU 11 Ca 0.12 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1u1c s LEU 11 Cb -0.05 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1u1c s LEU 11 CO 0.42 -0.11 0.01 0.42 0.23 0.00 0.00 176.35 177.32 1u1c s THR 12 N -1.93 3.53 0.52 5.49 -4.23 -1.26 -1.45 115.64 116.31 1u1c s THR 12 Ca 0.07 -1.84 0.18 0.00 -1.18 0.00 0.00 61.69 58.93 1u1c s THR 12 Cb -0.06 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.20 1u1c s THR 12 CO 0.03 -0.35 2.12 0.50 -0.54 0.00 0.00 174.62 176.38 1u1c h LYS 13 N 1.94 0.01 -0.39 3.99 3.64 -1.95 -1.90 116.57 121.91 1u1c h LYS 13 Ca -0.45 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 1u1c h LYS 13 Cb 1.24 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1u1c h LYS 13 CO 0.60 0.00 -0.19 -0.97 -2.27 0.00 0.00 179.45 176.63 1u1c h ASN 14 N 0.01 0.74 -0.04 4.20 -1.24 -1.95 -3.09 115.58 114.20 1u1c h ASN 14 Ca 0.05 -0.25 -0.00 0.00 0.71 0.00 0.00 56.30 56.82 1u1c h ASN 14 Cb 0.21 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1u1c h ASN 14 CO -0.00 0.92 0.02 0.44 -1.29 0.00 0.00 177.43 177.52 1u1c h ASP 15 N 0.65 0.05 1.09 1.15 3.45 -1.75 -2.32 116.42 118.74 1u1c h ASP 15 Ca 0.10 -0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.48 1u1c h ASP 15 Cb 0.67 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 1u1c h ASP 15 CO 0.05 0.04 -0.37 -0.07 -1.57 0.00 0.00 179.24 177.32 1u1c h LEU 16 N 0.06 0.00 2.35 1.55 4.07 -1.57 -3.48 115.31 118.29 1u1c h LEU 16 Ca 0.02 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.58 1u1c h LEU 16 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1u1c h LEU 16 CO -0.00 0.37 -0.53 0.00 -1.08 0.00 0.00 178.44 177.19 1u1c n GLN 17 N -3.39 -2.65 -1.42 1.13 6.02 -0.88 -2.57 117.38 113.63 1u1c n GLN 17 Ca 0.01 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1u1c n GLN 17 Cb 0.56 -5.64 0.00 0.00 1.02 0.00 0.00 30.24 26.18 1u1c n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1c n GLY 18 N -1.14 0.53 3.74 1.08 0.00 -1.26 -4.84 105.19 103.31 1u1c n GLY 18 Ca -0.20 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1u1c n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c s ALA 19 N -2.00 3.44 -0.05 4.61 0.00 -1.06 -4.93 121.76 121.78 1u1c s ALA 19 Ca 0.00 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1u1c s ALA 19 Cb 0.00 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 1u1c s ALA 19 CO 0.00 -0.37 0.12 0.25 0.00 0.00 0.00 175.76 175.76 1u1c n THR 20 N 2.16 0.28 -4.02 0.00 -2.24 -1.26 -4.26 114.28 104.93 1u1c n THR 20 Ca 0.03 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1u1c n THR 20 Cb 0.44 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 1u1c n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1c s LEU 21 N -4.11 4.10 -0.02 3.22 0.20 -1.26 -0.08 118.68 120.72 1u1c s LEU 21 Ca -0.04 0.25 0.00 0.00 0.69 0.00 0.00 54.13 55.03 1u1c s LEU 21 Cb 0.04 -2.34 0.03 0.00 -0.43 0.00 0.00 46.19 43.49 1u1c s LEU 21 CO 0.37 0.29 0.02 0.00 -0.29 0.00 0.00 176.35 176.73 1u1c s ALA 22 N -1.20 0.14 -0.21 5.97 0.00 0.29 -2.65 121.76 124.10 1u1c s ALA 22 Ca 0.23 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 1u1c s ALA 22 Cb -0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1u1c s ALA 22 CO 0.14 -0.08 0.47 0.42 0.00 0.00 0.00 175.76 176.71 1u1c s ILE 23 N 0.93 5.13 -0.44 0.00 1.01 0.54 -1.14 121.20 127.24 1u1c s ILE 23 Ca -0.08 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.44 1u1c s ILE 23 Cb -0.12 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.67 1u1c s ILE 23 CO -0.02 0.19 0.18 0.68 0.00 0.00 0.00 174.94 175.96 1u1c s VAL 24 N 1.65 2.66 0.73 2.92 -7.23 -0.31 -1.76 120.40 119.06 1u1c s VAL 24 Ca 0.22 -2.71 -0.10 0.00 -1.81 0.00 0.00 61.98 57.58 1u1c s VAL 24 Cb -0.15 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.95 1u1c s VAL 24 CO 0.09 -0.71 1.09 -2.16 -0.31 0.00 0.00 175.10 173.10 1u1c s PRO 25 N 0.43 2.48 -0.05 4.82 0.04 -1.24 -2.84 135.00 138.65 1u1c s PRO 25 Ca 0.13 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.23 1u1c s PRO 25 Cb -0.22 -2.05 -0.31 0.00 0.04 0.00 0.00 34.50 31.96 1u1c s PRO 25 CO -0.04 -1.21 0.73 0.78 0.04 0.00 0.00 177.00 177.30 1u1c h GLY 26 N -0.73 0.43 -5.65 0.56 0.00 -1.85 -0.96 103.07 94.88 1u1c h GLY 26 Ca -0.45 -1.10 -0.59 0.00 0.00 0.00 0.00 47.33 45.18 1u1c h GLY 26 CO 0.64 0.97 0.57 -0.35 0.00 0.00 0.00 176.54 178.36 1u1c s ASP 27 N -7.25 6.89 0.65 0.19 -1.08 -1.26 -2.12 116.67 112.68 1u1c s ASP 27 Ca -0.15 1.09 0.41 0.00 -0.52 0.00 0.00 52.55 53.37 1u1c s ASP 27 Cb 0.04 -2.46 2.27 0.00 -1.46 0.00 0.00 42.92 41.31 1u1c s ASP 27 CO 0.85 -0.58 2.34 1.55 0.52 0.00 0.00 175.17 179.84 1u1c h PRO 28 N 7.69 0.00 0.00 4.34 0.13 -1.88 -1.74 132.00 140.54 1u1c h PRO 28 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1u1c h PRO 28 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1u1c h PRO 28 CO 0.91 0.00 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.22 1u1c h ASP 29 N 0.00 0.00 1.32 1.44 5.19 -1.96 -3.17 116.42 119.24 1u1c h ASP 29 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1u1c h ASP 29 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1u1c h ASP 29 CO 0.00 0.00 -0.35 -0.09 -3.12 0.00 0.00 179.24 175.68 1u1c h ARG 30 N 0.00 0.00 -0.81 3.56 2.43 -1.72 -3.36 114.38 114.48 1u1c h ARG 30 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1u1c h ARG 30 Cb 0.90 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.40 1u1c h ARG 30 CO 0.00 0.00 0.50 0.28 -1.51 0.00 0.00 179.97 179.24 1u1c h VAL 31 N 0.00 1.06 -0.50 0.20 2.07 -1.54 -2.19 116.25 115.35 1u1c h VAL 31 Ca 0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1u1c h VAL 31 Cb 0.83 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1u1c h VAL 31 CO 0.00 0.17 0.13 -0.08 0.02 0.00 0.00 177.57 177.81 1u1c h GLU 32 N 0.94 0.79 -0.73 1.57 4.81 -1.78 -2.46 114.58 117.73 1u1c h GLU 32 Ca 0.34 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1u1c h GLU 32 Cb 0.11 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1u1c h GLU 32 CO -0.15 0.76 0.42 0.87 -0.73 0.00 0.00 179.01 180.18 1u1c h LYS 33 N 0.68 1.01 -0.10 1.92 1.57 -1.61 -1.45 116.57 118.60 1u1c h LYS 33 Ca 0.16 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1u1c h LYS 33 Cb 0.32 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1u1c h LYS 33 CO 0.00 0.74 -0.61 0.82 -0.57 0.00 0.00 179.45 179.83 1u1c h ILE 34 N 1.01 1.35 -0.19 1.86 2.04 -1.44 -3.26 117.51 118.88 1u1c h ILE 34 Ca 0.26 -1.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.15 1u1c h ILE 34 Cb 0.01 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1u1c h ILE 34 CO -0.04 0.58 -0.15 0.00 0.00 0.00 0.00 178.15 178.53 1u1c h ALA 35 N 0.47 1.39 0.00 1.87 0.00 -1.34 -2.68 119.26 118.97 1u1c h ALA 35 Ca -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u1c h ALA 35 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u1c h ALA 35 CO 0.12 0.42 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 1u1c h ALA 36 N 1.55 1.00 0.00 0.00 0.00 -1.31 -2.88 119.26 117.62 1u1c h ALA 36 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1u1c h ALA 36 Cb 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1u1c h ALA 36 CO 0.03 0.00 -0.59 1.25 0.00 0.00 0.00 179.25 179.94 1u1c h LEU 37 N 0.00 0.00-10.57 0.00 5.85 -1.51 -3.45 115.31 105.63 1u1c h LEU 37 Ca -0.00 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.27 1u1c h LEU 37 Cb 0.57 0.00 0.07 0.00 0.37 0.00 0.00 40.66 41.67 1u1c h LEU 37 CO 0.00 0.59 0.11 -0.04 -0.34 0.00 0.00 178.44 178.76 1u1c s MET 38 N -3.55 2.23 0.36 1.25 -1.94 -1.09 -5.07 119.30 111.49 1u1c s MET 38 Ca -0.01 -0.59 -0.26 0.00 -1.71 0.00 0.00 55.69 53.13 1u1c s MET 38 Cb 0.12 -2.31 -0.09 0.00 2.01 0.00 0.00 34.83 34.56 1u1c s MET 38 CO 0.75 -1.08 1.07 -0.51 -0.01 0.00 0.00 175.02 175.24 1u1c s ASP 39 N -4.52 6.93 -0.61 3.03 1.01 -0.35 -4.46 116.67 117.70 1u1c s ASP 39 Ca 0.60 2.12 -0.13 0.00 0.71 0.00 0.00 52.55 55.84 1u1c s ASP 39 Cb -0.10 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.25 1u1c s ASP 39 CO 0.42 -0.38 0.64 1.17 0.21 0.00 0.00 175.17 177.24 1u1c n LYS 40 N 0.36 -1.80 -2.93 8.23 4.81 -1.26 0.31 118.16 125.87 1u1c n LYS 40 Ca 0.03 1.48 -0.41 0.00 -0.87 0.00 0.00 58.31 58.54 1u1c n LYS 40 Cb 0.48 -4.09 -0.04 0.00 0.02 0.00 0.00 35.03 31.40 1u1c n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1u1c s PRO 41 N -3.22 4.41 -0.05 1.64 0.04 -1.26 -3.89 135.00 132.66 1u1c s PRO 41 Ca 0.16 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1u1c s PRO 41 Cb -0.03 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 31.04 1u1c s PRO 41 CO 0.82 -0.09 -0.03 0.08 0.04 0.00 0.00 177.00 177.81 1u1c s VAL 42 N 1.31 0.48 0.04 -0.36 1.01 0.16 -5.01 120.40 118.03 1u1c s VAL 42 Ca 0.40 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1u1c s VAL 42 Cb -0.18 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1u1c s VAL 42 CO 0.18 0.23 1.16 -0.75 0.00 0.00 0.00 175.10 175.92 1u1c s LYS 43 N 1.18 4.44 -0.16 2.72 2.20 -1.26 -0.29 119.74 128.57 1u1c s LYS 43 Ca -0.07 1.70 -0.16 0.00 -0.36 0.00 0.00 55.97 57.08 1u1c s LYS 43 Cb -0.14 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1u1c s LYS 43 CO -0.01 -0.24 -0.32 1.28 -0.36 0.00 0.00 175.35 175.70 1u1c n LEU 44 N 4.04 1.76 -3.65 5.43 4.77 -0.29 -4.93 117.00 124.13 1u1c n LEU 44 Ca 0.09 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.21 1u1c n LEU 44 Cb 0.47 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1u1c n LEU 44 CO 0.55 -0.29 0.23 0.00 -1.33 0.00 0.00 177.39 176.54 1u1c s ALA 45 N -2.92 -1.28 -0.25 -1.18 0.00 -1.17 -5.03 121.76 109.93 1u1c s ALA 45 Ca -0.26 0.94 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1u1c s ALA 45 Cb 0.04 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.10 1u1c s ALA 45 CO 0.39 -0.30 0.05 0.45 0.00 0.00 0.00 175.76 176.35 1u1c s SER 46 N -0.97 3.53 -0.04 0.00 0.15 -1.26 -1.08 113.70 114.03 1u1c s SER 46 Ca -0.10 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.34 1u1c s SER 46 Cb -0.03 -0.79 0.02 0.00 -1.71 0.00 0.00 66.02 63.51 1u1c s SER 46 CO 0.06 -0.34 -0.06 -1.00 1.20 0.00 0.00 173.24 173.10 1u1c s HIS 47 N 1.69 0.81 0.00 3.44 3.76 -0.65 -5.00 115.29 119.34 1u1c s HIS 47 Ca 0.03 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1u1c s HIS 47 Cb -0.17 -0.67 0.00 0.00 1.11 0.00 0.00 32.58 32.84 1u1c s HIS 47 CO -0.15 -0.17 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 1u1c n ARG 48 N 3.84 0.00 -0.26 1.40 1.74 -1.26 -0.34 116.66 121.78 1u1c n ARG 48 Ca -0.24 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.91 1u1c n ARG 48 Cb 0.52 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 32.15 1u1c n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1c n GLU 49 N 2.98 2.93 -3.62 5.56 0.00 -1.26 -4.91 120.64 122.31 1u1c n GLU 49 Ca 0.00 -2.29 -0.39 0.00 0.00 0.00 0.00 57.16 54.48 1u1c n GLU 49 Cb 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 31.44 29.91 1u1c n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1c s PHE 50 N -1.40 3.48 -0.25 -1.84 0.40 0.54 -4.34 117.98 114.56 1u1c s PHE 50 Ca 0.30 -2.07 -0.09 0.00 -0.60 0.00 0.00 56.93 54.47 1u1c s PHE 50 Cb 0.18 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 1u1c s PHE 50 CO 0.16 -0.99 0.12 0.99 0.70 0.00 0.00 175.22 176.21 1u1c s THR 51 N 1.25 4.87 -0.17 0.64 2.01 -1.26 -1.64 115.64 121.33 1u1c s THR 51 Ca 0.07 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 1u1c s THR 51 Cb -0.25 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 1u1c s THR 51 CO -0.02 0.32 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.22 1u1c s THR 52 N 1.44 2.89 -0.02 -0.82 2.01 -0.24 -2.34 115.64 118.55 1u1c s THR 52 Ca 0.06 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.45 1u1c s THR 52 Cb -0.15 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1u1c s THR 52 CO 0.06 0.50 -0.24 0.26 -0.69 0.00 0.00 174.62 174.50 1u1c s TRP 53 N 0.92 2.20 -0.14 4.92 0.52 0.63 -1.14 118.94 126.86 1u1c s TRP 53 Ca -0.03 -0.43 -0.05 0.00 0.02 0.00 0.00 56.10 55.62 1u1c s TRP 53 Cb -0.15 -1.42 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1u1c s TRP 53 CO -0.01 -0.05 0.02 0.50 0.02 0.00 0.00 176.95 177.43 1u1c s ARG 54 N -0.55 3.54 0.32 4.98 3.52 0.60 -0.18 118.95 131.17 1u1c s ARG 54 Ca 0.09 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 1u1c s ARG 54 Cb -0.10 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 1u1c s ARG 54 CO -0.01 0.44 0.14 0.00 -0.81 0.00 0.00 175.30 175.06 1u1c s ALA 55 N -0.13 2.10 -0.09 6.12 0.00 0.40 -0.67 121.76 129.50 1u1c s ALA 55 Ca 0.05 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.32 1u1c s ALA 55 Cb -0.12 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.05 1u1c s ALA 55 CO 0.02 -0.47 -0.20 -2.00 0.00 0.00 0.00 175.76 173.11 1u1c s GLU 56 N -3.82 2.63 -0.11 0.00 2.12 0.15 0.08 118.70 119.75 1u1c s GLU 56 Ca 0.34 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 1u1c s GLU 56 Cb 0.05 -2.04 0.03 0.00 0.26 0.00 0.00 34.13 32.42 1u1c s GLU 56 CO 0.17 0.11 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.76 1u1c s LEU 57 N 0.50 1.12 -1.40 2.70 2.96 0.58 -1.21 118.68 123.94 1u1c s LEU 57 Ca -0.16 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1u1c s LEU 57 Cb -0.17 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.75 1u1c s LEU 57 CO 0.06 -0.14 0.27 0.47 -1.32 0.00 0.00 176.35 175.70 1u1c n ASP 58 N 4.97 -4.92 0.00 3.68 10.43 -1.26 -1.14 116.55 128.32 1u1c n ASP 58 Ca -0.12 -0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.14 1u1c n ASP 58 Cb 0.50 -4.07 0.00 0.00 1.84 0.00 0.00 41.12 39.39 1u1c n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1c n GLY 59 N -1.13 0.45 3.18 0.44 0.00 -1.26 -5.04 105.19 101.83 1u1c n GLY 59 Ca -0.13 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1u1c n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1c s LYS 60 N -0.93 2.36 0.17 1.61 1.02 -0.29 -5.12 119.74 118.56 1u1c s LYS 60 Ca 0.00 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 1u1c s LYS 60 Cb 0.00 -1.92 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 1u1c s LYS 60 CO 0.00 0.23 1.52 -1.25 -0.92 0.00 0.00 175.35 174.93 1u1c s PRO 61 N 0.16 4.24 -0.03 -1.68 0.04 -1.26 -0.31 135.00 136.17 1u1c s PRO 61 Ca -0.10 2.31 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1u1c s PRO 61 Cb -0.15 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 1u1c s PRO 61 CO 0.05 -0.56 -0.14 0.08 0.04 0.00 0.00 177.00 176.47 1u1c s VAL 62 N 0.99 1.15 -0.14 -0.36 1.01 0.11 -4.45 120.40 118.71 1u1c s VAL 62 Ca 0.68 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1u1c s VAL 62 Cb -0.42 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1u1c s VAL 62 CO 0.33 0.34 0.17 -0.63 0.00 0.00 0.00 175.10 175.31 1u1c s ILE 63 N -0.01 5.42 -0.19 2.22 -1.09 -1.08 -0.45 121.20 126.01 1u1c s ILE 63 Ca -0.01 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1u1c s ILE 63 Cb -0.09 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1u1c s ILE 63 CO 0.01 0.54 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.40 1u1c s VAL 64 N -0.49 2.30 -0.02 2.92 1.01 0.75 -0.34 120.40 126.52 1u1c s VAL 64 Ca 0.14 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1u1c s VAL 64 Cb -0.12 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1u1c s VAL 64 CO 0.03 0.51 0.04 0.00 0.00 0.00 0.00 175.10 175.68 1u1c s SER 66 N 1.23 7.09 -0.05 0.00 1.04 -0.99 -3.61 113.70 118.42 1u1c s SER 66 Ca -0.07 2.22 0.21 0.00 0.48 0.00 0.00 55.95 58.79 1u1c s SER 66 Cb -0.13 -2.62 -0.28 0.00 0.10 0.00 0.00 66.02 63.10 1u1c s SER 66 CO -0.03 -0.26 0.45 0.35 0.98 0.00 0.00 173.24 174.72 1u1c n THR 67 N 0.81 0.48 -0.03 2.02 -2.24 -0.36 -4.53 114.28 110.42 1u1c n THR 67 Ca 0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1u1c n THR 67 Cb 0.46 -0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1u1c n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1c n GLY 68 N 1.38 -1.45 3.70 3.38 0.00 -0.90 -3.15 105.19 108.15 1u1c n GLY 68 Ca -0.11 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1u1c n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1c s ILE 69 N -1.28 4.90 0.00 -0.61 1.01 -1.26 -4.72 121.20 119.24 1u1c s ILE 69 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1u1c s ILE 69 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1u1c s ILE 69 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1u1c n GLY 70 N 3.07 1.89 0.22 6.18 0.00 -1.21 -4.73 105.19 110.60 1u1c n GLY 70 Ca 0.05 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 1u1c n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1c h GLY 71 N 0.00 0.75 0.11 -0.02 0.00 -1.87 -3.02 103.07 99.03 1u1c h GLY 71 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1u1c h GLY 71 CO 0.00 0.17 -0.30 -2.55 0.00 0.00 0.00 176.54 173.86 1u1c h PRO 72 N 0.59 -0.32 0.00 4.80 0.11 -1.95 0.28 132.00 135.52 1u1c h PRO 72 Ca 0.22 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 1u1c h PRO 72 Cb 0.07 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1u1c h PRO 72 CO -0.12 -0.21 -0.50 0.66 -0.21 0.00 0.00 178.00 177.62 1u1c h SER 73 N -0.33 0.00 -0.45 -2.05 4.64 -1.80 -2.74 113.55 110.81 1u1c h SER 73 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1u1c h SER 73 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1u1c h SER 73 CO -0.38 0.50 0.26 0.74 -0.87 0.00 0.00 176.83 177.07 1u1c h THR 74 N 0.00 1.15 -0.26 2.95 2.02 -1.29 -1.52 112.91 115.96 1u1c h THR 74 Ca -0.00 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1u1c h THR 74 Cb 1.13 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1u1c h THR 74 CO 0.06 0.16 -0.06 0.77 0.37 0.00 0.00 175.52 176.82 1u1c h SER 75 N 0.59 0.39 -0.03 4.18 4.64 -0.28 -0.58 113.55 122.46 1u1c h SER 75 Ca 0.16 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1u1c h SER 75 Cb 0.03 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1u1c h SER 75 CO -0.03 0.51 -0.02 0.40 -0.87 0.00 0.00 176.83 176.82 1u1c h ILE 76 N 0.40 1.33 -0.17 0.95 2.04 -1.32 -2.70 117.51 118.05 1u1c h ILE 76 Ca 0.08 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1u1c h ILE 76 Cb 0.37 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1u1c h ILE 76 CO 0.02 0.28 0.08 0.00 0.00 0.00 0.00 178.15 178.52 1u1c h ALA 77 N 0.60 0.21 -0.45 1.87 0.00 -1.04 -1.75 119.26 118.70 1u1c h ALA 77 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1u1c h ALA 77 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1u1c h ALA 77 CO 0.01 -0.22 0.02 0.28 0.00 0.00 0.00 179.25 179.34 1u1c h VAL 78 N 0.13 1.26 -0.37 0.00 2.07 -1.22 -0.64 116.25 117.48 1u1c h VAL 78 Ca 0.06 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1u1c h VAL 78 Cb 0.13 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1u1c h VAL 78 CO -0.01 0.35 0.11 -0.08 0.02 0.00 0.00 177.57 177.96 1u1c h GLU 79 N 0.63 0.58 0.00 1.57 4.57 -1.47 -0.61 114.58 119.85 1u1c h GLU 79 Ca 0.13 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1u1c h GLU 79 Cb 0.47 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1u1c h GLU 79 CO 0.02 0.60 -0.59 0.93 -1.18 0.00 0.00 179.01 178.79 1u1c h GLU 80 N 0.45 0.00 -0.14 1.92 5.08 -1.24 -0.77 114.58 119.88 1u1c h GLU 80 Ca 0.12 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1u1c h GLU 80 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1u1c h GLU 80 CO -0.00 0.59 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.92 1u1c h LEU 81 N 0.00 0.52 -1.08 1.33 3.38 -1.03 -2.53 115.31 115.90 1u1c h LEU 81 Ca -0.01 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1u1c h LEU 81 Cb 1.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1u1c h LEU 81 CO 0.08 1.01 -0.18 0.00 0.09 0.00 0.00 178.44 179.44 1u1c h ALA 82 N 1.00 1.23 0.00 1.53 0.00 -0.73 -0.99 119.26 121.29 1u1c h ALA 82 Ca -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1u1c h ALA 82 Cb 1.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1u1c h ALA 82 CO 0.11 0.50 -0.27 1.96 0.00 0.00 0.00 179.25 181.55 1u1c h GLN 83 N 0.41 0.00 -0.00 0.00 4.20 -1.04 -2.69 115.11 115.99 1u1c h GLN 83 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1u1c h GLN 83 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1u1c h GLN 83 CO 0.04 0.27 -0.31 1.28 -0.67 0.00 0.00 178.83 179.44 1u1c n LEU 84 N -3.98 0.35 0.00 1.46 4.77 -0.68 -4.94 117.00 113.98 1u1c n LEU 84 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1u1c n LEU 84 Cb 0.34 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1u1c n LEU 84 CO 0.36 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1u1c n GLY 85 N 1.49 1.42 3.71 -0.72 0.00 -0.66 -4.79 105.19 105.65 1u1c n GLY 85 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1u1c n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1c s ILE 86 N -2.00 4.90 -0.06 -0.61 -1.09 -0.47 -4.49 121.20 117.38 1u1c s ILE 86 Ca 0.00 1.86 0.07 0.00 -2.23 0.00 0.00 60.65 60.35 1u1c s ILE 86 Cb 0.00 -4.23 -0.10 0.00 -1.58 0.00 0.00 42.46 36.55 1u1c s ILE 86 CO 0.00 0.20 0.06 0.54 -1.23 0.00 0.00 174.94 174.51 1u1c n ARG 87 N 3.77 2.25 -4.63 2.79 5.12 0.88 -4.26 116.66 122.58 1u1c n ARG 87 Ca 0.03 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.60 1u1c n ARG 87 Cb 0.51 -1.19 -0.14 0.00 -1.16 0.00 0.00 32.46 30.48 1u1c n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1c s THR 88 N -2.26 3.06 -0.20 0.55 2.01 -0.48 -1.90 115.64 116.42 1u1c s THR 88 Ca -0.03 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1u1c s THR 88 Cb 0.03 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1u1c s THR 88 CO 0.31 0.51 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.25 1u1c s PHE 89 N 0.54 2.67 -0.34 4.92 0.40 -0.11 -0.55 117.98 125.51 1u1c s PHE 89 Ca -0.08 -1.70 -0.06 0.00 -0.60 0.00 0.00 56.93 54.49 1u1c s PHE 89 Cb -0.16 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.64 1u1c s PHE 89 CO 0.04 -0.78 0.11 -0.51 0.70 0.00 0.00 175.22 174.77 1u1c s LEU 90 N 1.32 4.37 0.05 -0.37 1.43 -0.29 -1.08 118.68 124.10 1u1c s LEU 90 Ca 0.00 -1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 51.59 1u1c s LEU 90 Cb -0.15 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1u1c s LEU 90 CO -0.10 -0.35 0.80 -0.60 0.23 0.00 0.00 176.35 176.34 1u1c s ARG 91 N 1.36 4.52 -0.17 1.70 3.52 -0.10 -1.16 118.95 128.62 1u1c s ARG 91 Ca -0.01 1.12 0.01 0.00 -0.13 0.00 0.00 55.73 56.72 1u1c s ARG 91 Cb -0.20 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1u1c s ARG 91 CO 0.02 0.25 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.06 1u1c s ILE 92 N 0.03 1.98 0.35 4.11 2.07 -1.13 -1.32 121.20 127.29 1u1c s ILE 92 Ca 0.40 -0.90 0.04 0.00 -1.41 0.00 0.00 60.65 58.78 1u1c s ILE 92 Cb -0.21 -1.79 -0.03 0.00 0.13 0.00 0.00 42.46 40.56 1u1c s ILE 92 CO 0.24 0.53 0.14 -0.83 -1.91 0.00 0.00 174.94 173.11 1u1c s GLY 93 N 1.21 2.29 0.20 1.50 0.00 -0.53 -3.79 107.32 108.19 1u1c s GLY 93 Ca 0.02 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.18 1u1c s GLY 93 CO -0.10 -1.70 0.28 -0.51 0.00 0.00 0.00 173.10 171.07 1u1c s THR 94 N -3.41 5.08 0.07 0.90 -4.23 -1.26 -1.92 115.64 110.87 1u1c s THR 94 Ca 0.31 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 59.74 1u1c s THR 94 Cb 0.04 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1u1c s THR 94 CO 0.17 -0.21 0.34 0.28 -0.54 0.00 0.00 174.62 174.66 1u1c s THR 95 N -1.88 0.08 -0.30 3.99 -1.32 -0.68 -4.81 115.64 110.72 1u1c s THR 95 Ca 0.34 -0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 60.12 1u1c s THR 95 Cb -0.10 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1u1c s THR 95 CO 0.28 -0.36 0.03 -0.83 -2.21 0.00 0.00 174.62 171.53 1u1c s GLY 96 N -2.31 1.76 0.41 6.08 0.00 -1.08 -2.48 107.32 109.70 1u1c s GLY 96 Ca -0.02 -1.60 -0.24 0.00 0.00 0.00 0.00 44.72 42.86 1u1c s GLY 96 CO -0.06 0.66 1.09 0.00 0.00 0.00 0.00 173.10 174.79 1u1c s ALA 97 N 1.38 3.07 0.00 3.20 0.00 0.63 -1.25 121.76 128.79 1u1c s ALA 97 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1u1c s ALA 97 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1u1c s ALA 97 CO 0.00 -0.34 0.57 0.44 0.00 0.00 0.00 175.76 176.43 1u1c n ILE 98 N -0.14 0.14 -3.87 0.00 -5.35 -0.19 -0.58 119.36 109.37 1u1c n ILE 98 Ca 0.05 -0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 61.60 1u1c n ILE 98 Cb 0.49 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.26 1u1c n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1c s GLN 99 N -0.14 3.59 0.43 6.28 -1.52 -1.22 -4.76 119.66 122.31 1u1c s GLN 99 Ca 0.00 -0.16 0.11 0.00 -1.95 0.00 0.00 55.36 53.36 1u1c s GLN 99 Cb 0.00 -3.22 0.94 0.00 -0.22 0.00 0.00 33.01 30.51 1u1c s GLN 99 CO 0.00 0.67 2.01 -1.35 -0.25 0.00 0.00 175.29 176.37 1u1c h PRO 100 N 5.37 0.22 0.00 2.91 0.11 -1.96 -2.89 132.00 135.76 1u1c h PRO 100 Ca -0.52 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1u1c h PRO 100 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u1c h PRO 100 CO 0.62 0.26 0.00 1.12 -0.21 0.00 0.00 178.00 179.79 1u1c h HIS 101 N 0.22 0.00 -3.61 0.65 2.07 -2.01 -3.42 115.15 109.04 1u1c h HIS 101 Ca 0.05 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.94 1u1c h HIS 101 Cb 0.19 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 30.04 1u1c h HIS 101 CO 0.00 0.00 0.33 0.42 -3.07 0.00 0.00 177.93 175.62 1u1c s ILE 102 N -3.17 4.68 0.52 6.12 1.01 -1.09 -5.05 121.20 124.22 1u1c s ILE 102 Ca 0.09 0.47 -0.08 0.00 0.00 0.00 0.00 60.65 61.13 1u1c s ILE 102 Cb 0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1u1c s ILE 102 CO 0.59 -0.66 0.87 0.20 0.00 0.00 0.00 174.94 175.95 1u1c s ASN 103 N 2.07 6.31 0.20 3.58 0.02 -1.26 -4.87 114.94 120.99 1u1c s ASN 103 Ca 0.29 1.15 -0.31 0.00 -1.02 0.00 0.00 52.86 52.97 1u1c s ASN 103 Cb -0.12 -2.34 -0.10 0.00 0.02 0.00 0.00 41.25 38.70 1u1c s ASN 103 CO 0.21 -0.65 1.57 -0.69 0.02 0.00 0.00 177.10 177.57 1u1c s VAL 104 N -2.83 2.48 0.00 1.60 1.01 -1.26 -2.27 120.40 119.13 1u1c s VAL 104 Ca 0.51 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1u1c s VAL 104 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1u1c s VAL 104 CO 0.45 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1u1c n GLY 105 N 3.31 2.93 3.74 4.51 0.00 0.13 -5.01 105.19 114.80 1u1c n GLY 105 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1u1c n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1c s ASP 106 N -1.36 4.49 -0.10 1.61 1.11 -0.96 -4.67 116.67 116.78 1u1c s ASP 106 Ca 0.00 2.20 -0.01 0.00 0.18 0.00 0.00 52.55 54.92 1u1c s ASP 106 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 1u1c s ASP 106 CO 0.00 -2.06 -0.05 0.54 1.18 0.00 0.00 175.17 174.79 1u1c s VAL 107 N -2.17 3.88 -0.13 -1.27 0.11 -0.54 -1.18 120.40 119.10 1u1c s VAL 107 Ca 0.71 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 1u1c s VAL 107 Cb -0.25 -2.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.98 1u1c s VAL 107 CO 0.45 0.57 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.81 1u1c s LEU 108 N -0.47 2.08 -0.26 2.54 1.43 0.17 -1.94 118.68 122.22 1u1c s LEU 108 Ca 0.07 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1u1c s LEU 108 Cb -0.12 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1u1c s LEU 108 CO 0.02 0.09 0.17 -0.69 0.23 0.00 0.00 176.35 176.17 1u1c s VAL 109 N 0.73 5.26 -0.26 -1.59 1.01 -0.56 -1.66 120.40 123.33 1u1c s VAL 109 Ca -0.10 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1u1c s VAL 109 Cb -0.16 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1u1c s VAL 109 CO 0.00 0.29 0.66 -0.89 0.00 0.00 0.00 175.10 175.17 1u1c s THR 110 N 1.49 4.95 0.03 3.92 2.01 -0.89 -2.27 115.64 124.88 1u1c s THR 110 Ca 0.07 1.18 -0.17 0.00 0.31 0.00 0.00 61.69 63.09 1u1c s THR 110 Cb -0.15 -3.97 -0.31 0.00 0.01 0.00 0.00 72.50 68.08 1u1c s THR 110 CO 0.08 -0.00 1.04 0.71 -0.69 0.00 0.00 174.62 175.76 1u1c h THR 111 N 5.43 1.32 -2.75 -0.82 1.35 -1.55 -3.41 112.91 112.48 1u1c h THR 111 Ca -0.26 -2.52 0.06 0.00 -0.55 0.00 0.00 66.41 63.14 1u1c h THR 111 Cb 1.12 2.88 -0.10 0.00 -1.73 0.00 0.00 68.15 70.31 1u1c h THR 111 CO 0.79 0.75 0.31 0.00 -0.25 0.00 0.00 175.52 177.13 1u1c s ALA 112 N -2.80 -1.56 0.02 6.62 0.00 -1.26 -1.01 121.76 121.78 1u1c s ALA 112 Ca -0.10 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.28 1u1c s ALA 112 Cb 0.04 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1u1c s ALA 112 CO 0.92 -0.86 -0.25 -1.12 0.00 0.00 0.00 175.76 174.45 1u1c s SER 113 N -2.77 2.96 -0.05 0.00 0.01 -0.55 -2.00 113.70 111.30 1u1c s SER 113 Ca 0.06 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1u1c s SER 113 Cb -0.02 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1u1c s SER 113 CO -0.05 0.27 1.34 -0.69 0.41 0.00 0.00 173.24 174.51 1u1c s VAL 114 N -0.70 3.97 -1.04 3.43 1.01 0.14 -4.31 120.40 122.89 1u1c s VAL 114 Ca 0.10 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.19 1u1c s VAL 114 Cb -0.10 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.57 1u1c s VAL 114 CO 0.01 -0.03 1.30 -0.13 0.00 0.00 0.00 175.10 176.25 1u1c s ARG 115 N 2.67 3.74 -0.51 2.72 0.52 -1.26 -1.69 118.95 125.14 1u1c s ARG 115 Ca 0.61 -1.86 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1u1c s ARG 115 Cb -0.28 -5.08 0.55 0.00 0.52 0.00 0.00 34.95 30.67 1u1c s ARG 115 CO 0.23 -1.88 1.87 1.28 0.02 0.00 0.00 175.30 176.82 1u1c n LEU 116 N 6.88 6.72 -4.68 2.53 4.77 -0.62 -4.97 117.00 127.64 1u1c n LEU 116 Ca 0.30 -3.97 -0.30 0.00 -0.03 0.00 0.00 56.01 52.02 1u1c n LEU 116 Cb 0.48 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1u1c n LEU 116 CO 0.58 1.30 -0.27 1.51 -1.33 0.00 0.00 177.39 179.18 1u1c s ASP 117 N -1.79 3.90 -0.12 -1.43 -4.77 -1.22 -1.15 116.67 110.10 1u1c s ASP 117 Ca 0.58 -1.51 0.11 0.00 -3.30 0.00 0.00 52.55 48.43 1u1c s ASP 117 Cb 0.48 0.06 -0.16 0.00 -1.09 0.00 0.00 42.92 42.22 1u1c s ASP 117 CO 0.05 -0.66 0.06 0.61 0.70 0.00 0.00 175.17 175.93 1u1c n GLY 118 N -1.09 -0.62 0.18 2.12 0.00 -1.26 -4.70 105.19 99.83 1u1c n GLY 118 Ca -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1u1c n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c h ALA 119 N 0.65 1.00 -0.45 4.61 0.00 -1.98 -2.93 119.26 120.16 1u1c h ALA 119 Ca -0.32 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1u1c h ALA 119 Cb 1.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1u1c h ALA 119 CO 0.02 0.66 0.30 0.66 0.00 0.00 0.00 179.25 180.88 1u1c h SER 120 N 0.17 0.41 0.63 0.00 4.64 -1.86 -1.30 113.55 116.25 1u1c h SER 120 Ca 0.01 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1u1c h SER 120 Cb 0.95 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1u1c h SER 120 CO 0.08 0.29 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.17 1u1c h LEU 121 N 0.48 0.00 0.00 5.97 3.38 -1.62 -1.64 115.31 121.88 1u1c h LEU 121 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1u1c h LEU 121 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u1c h LEU 121 CO -0.05 0.08 0.00 1.41 0.09 0.00 0.00 178.44 179.98 1u1c n HIS 122 N -3.32 0.00 -0.01 1.13 8.25 -0.49 -3.75 115.22 117.03 1u1c n HIS 122 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1u1c n HIS 122 Cb 0.27 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1u1c n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1c n PHE 123 N -1.32 0.00 -3.70 4.41 3.01 -0.87 -5.08 117.46 113.90 1u1c n PHE 123 Ca 0.11 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.43 1u1c n PHE 123 Cb 0.21 -0.07 -0.09 0.00 -0.01 0.00 0.00 39.48 39.53 1u1c n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1c s ALA 124 N -2.03 -1.16 0.80 4.37 0.00 -0.67 -5.03 121.76 118.04 1u1c s ALA 124 Ca -0.02 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 1u1c s ALA 124 Cb 0.01 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.71 1u1c s ALA 124 CO 0.05 -0.25 1.19 -1.25 0.00 0.00 0.00 175.76 175.50 1u1c s PRO 125 N -0.28 1.71 0.40 0.00 0.04 -1.26 -3.85 135.00 131.76 1u1c s PRO 125 Ca -0.04 1.70 0.17 0.00 0.04 0.00 0.00 61.00 62.86 1u1c s PRO 125 Cb -0.03 -1.79 1.06 0.00 0.04 0.00 0.00 34.50 33.78 1u1c s PRO 125 CO 0.03 -2.14 1.82 1.25 0.04 0.00 0.00 177.00 177.99 1u1c h LEU 126 N -0.89 0.46 -2.44 -3.56 5.85 -1.93 -0.39 115.31 112.41 1u1c h LEU 126 Ca -0.46 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1u1c h LEU 126 Cb 1.29 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1u1c h LEU 126 CO 0.47 0.15 -0.03 1.05 -0.34 0.00 0.00 178.44 179.74 1u1c h GLU 127 N 0.44 0.00 -6.51 1.25 9.09 -2.03 -3.42 114.58 113.40 1u1c h GLU 127 Ca 0.52 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.40 1u1c h GLU 127 Cb 1.27 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.38 1u1c h GLU 127 CO -0.23 0.03 0.72 0.12 0.05 0.00 0.00 179.01 179.70 1u1c s PHE 128 N -4.32 3.20 0.16 2.06 2.19 -0.16 -4.98 117.98 116.14 1u1c s PHE 128 Ca -0.04 0.97 -0.30 0.00 0.33 0.00 0.00 56.93 57.89 1u1c s PHE 128 Cb 0.14 -3.65 -0.07 0.00 -1.31 0.00 0.00 43.02 38.12 1u1c s PHE 128 CO 0.51 -2.27 1.13 -1.25 1.83 0.00 0.00 175.22 175.17 1u1c s PRO 129 N 1.30 4.55 -1.54 10.12 0.04 -1.26 -4.93 135.00 143.29 1u1c s PRO 129 Ca 0.64 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 1u1c s PRO 129 Cb -0.35 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 1u1c s PRO 129 CO 0.30 0.00 2.63 0.00 0.04 0.00 0.00 177.00 179.97 1u1c n ALA 130 N 2.61 6.75 -2.41 8.56 0.00 -1.26 -4.75 120.51 130.01 1u1c n ALA 130 Ca 0.04 -3.72 -0.37 0.00 0.00 0.00 0.00 53.44 49.38 1u1c n ALA 130 Cb 0.46 -3.38 -0.06 0.00 0.00 0.00 0.00 19.45 16.47 1u1c n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1c s VAL 131 N 2.23 4.91 0.51 0.00 0.11 -1.26 -1.49 120.40 125.41 1u1c s VAL 131 Ca 0.60 0.92 -0.17 0.00 -2.93 0.00 0.00 61.98 60.40 1u1c s VAL 131 Cb 0.16 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 31.16 1u1c s VAL 131 CO -0.07 0.49 0.99 0.00 -3.33 0.00 0.00 175.10 173.18 1u1c s ALA 132 N -1.18 3.05 0.26 1.54 0.00 -0.18 -4.71 121.76 120.53 1u1c s ALA 132 Ca 0.29 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1u1c s ALA 132 Cb -0.17 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1u1c s ALA 132 CO 0.17 -0.23 1.45 0.34 0.00 0.00 0.00 175.76 177.49 1u1c s ASP 133 N -2.96 6.63 0.20 0.00 2.15 0.44 -4.93 116.67 118.20 1u1c s ASP 133 Ca 0.59 2.70 -0.09 0.00 0.43 0.00 0.00 52.55 56.19 1u1c s ASP 133 Cb -0.10 -2.63 0.12 0.00 -0.30 0.00 0.00 42.92 40.02 1u1c s ASP 133 CO 0.30 -0.72 1.75 0.15 -0.17 0.00 0.00 175.17 176.48 1u1c h PHE 134 N 4.91 1.14 -0.37 -5.34 3.04 -1.96 -0.55 116.94 117.82 1u1c h PHE 134 Ca -0.46 -0.10 -0.13 0.00 3.98 0.00 0.00 57.97 61.26 1u1c h PHE 134 Cb 1.22 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1u1c h PHE 134 CO 0.60 0.89 -0.28 0.93 -2.02 0.00 0.00 178.31 178.42 1u1c h GLU 135 N 1.06 0.79 -0.33 1.11 5.08 -1.96 -0.71 114.58 119.62 1u1c h GLU 135 Ca 0.24 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1u1c h GLU 135 Cb 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1u1c h GLU 135 CO -0.01 0.97 -0.04 0.00 -1.00 0.00 0.00 179.01 178.94 1u1c h THR 137 N 0.41 1.22 -0.32 0.00 2.02 -1.01 -1.61 112.91 113.62 1u1c h THR 137 Ca 0.09 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1u1c h THR 137 Cb 0.51 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1u1c h THR 137 CO 0.02 0.26 0.18 0.74 0.37 0.00 0.00 175.52 177.09 1u1c h THR 138 N 0.88 1.13 -0.59 3.16 2.02 -1.09 -1.00 112.91 117.41 1u1c h THR 138 Ca 0.22 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1u1c h THR 138 Cb 0.12 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1u1c h THR 138 CO -0.03 0.13 0.27 0.00 0.37 0.00 0.00 175.52 176.26 1u1c h ALA 139 N 1.05 1.36 -0.17 6.16 0.00 -1.14 -0.46 119.26 126.07 1u1c h ALA 139 Ca 0.11 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1u1c h ALA 139 Cb 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1u1c h ALA 139 CO -0.02 0.49 -0.74 -0.07 0.00 0.00 0.00 179.25 178.92 1u1c h LEU 140 N 0.84 0.90 -0.15 0.00 3.38 -1.10 -2.04 115.31 117.14 1u1c h LEU 140 Ca 0.21 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1u1c h LEU 140 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1u1c h LEU 140 CO -0.03 1.36 0.01 0.58 0.09 0.00 0.00 178.44 180.46 1u1c h VAL 141 N 0.53 1.24 -0.27 1.22 2.07 -0.91 -1.97 116.25 118.16 1u1c h VAL 141 Ca -0.04 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 1u1c h VAL 141 Cb 1.36 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1u1c h VAL 141 CO 0.15 0.23 -0.24 -0.33 0.02 0.00 0.00 177.57 177.40 1u1c h GLU 142 N 0.00 0.53 -0.12 1.57 5.08 -1.16 -2.41 114.58 118.08 1u1c h GLU 142 Ca 0.04 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1u1c h GLU 142 Cb 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1u1c h GLU 142 CO 0.01 0.73 -0.42 0.00 -1.00 0.00 0.00 179.01 178.33 1u1c h ALA 143 N 1.27 1.08 -0.48 3.43 0.00 -1.35 -1.71 119.26 121.50 1u1c h ALA 143 Ca 0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1u1c h ALA 143 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1u1c h ALA 143 CO 0.05 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 1u1c h ALA 144 N 1.35 0.82 0.00 0.00 0.00 -1.00 -2.86 119.26 117.56 1u1c h ALA 144 Ca 0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1u1c h ALA 144 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1u1c h ALA 144 CO 0.07 0.65 -0.49 1.57 0.00 0.00 0.00 179.25 181.05 1u1c h LYS 145 N 0.82 0.00 -0.54 0.00 5.09 -1.30 -2.08 116.57 118.56 1u1c h LYS 145 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.76 1u1c h LYS 145 Cb 0.69 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.01 1u1c h LYS 145 CO 0.05 0.49 -0.06 0.77 -2.09 0.00 0.00 179.45 178.62 1u1c h SER 146 N 0.00 0.98 -0.00 7.07 0.02 -1.10 -2.95 113.55 117.57 1u1c h SER 146 Ca -0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1u1c h SER 146 Cb 1.03 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1u1c h SER 146 CO 0.06 1.08 -0.03 2.30 -1.14 0.00 0.00 176.83 179.10 1u1c n ILE 147 N -4.21 0.00 -2.75 3.27 -6.64 -1.11 -4.99 119.36 102.93 1u1c n ILE 147 Ca 0.01 -0.32 -0.10 0.00 -1.77 0.00 0.00 62.75 60.57 1u1c n ILE 147 Cb 0.37 0.84 0.05 0.00 -1.44 0.00 0.00 39.64 39.46 1u1c n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1u1c n GLY 148 N 1.25 -0.10 3.79 3.28 0.00 -0.98 -5.05 105.19 107.39 1u1c n GLY 148 Ca 0.17 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1u1c n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c s ALA 149 N -3.21 3.62 -0.34 4.61 0.00 -0.82 -5.05 121.76 120.56 1u1c s ALA 149 Ca 0.07 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 1u1c s ALA 149 Cb -0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1u1c s ALA 149 CO 0.43 0.76 1.76 0.99 0.00 0.00 0.00 175.76 179.69 1u1c s THR 150 N -1.39 3.51 -0.05 0.00 2.01 -1.26 -4.75 115.64 113.72 1u1c s THR 150 Ca 0.29 0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.86 1u1c s THR 150 Cb -0.12 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1u1c s THR 150 CO 0.22 -0.46 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.60 1u1c s THR 151 N 6.80 2.53 -0.05 -0.82 2.01 -1.26 -1.47 115.64 123.38 1u1c s THR 151 Ca 0.78 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1u1c s THR 151 Cb -0.21 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1u1c s THR 151 CO 0.33 0.58 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.65 1u1c s HIS 152 N -0.50 1.90 -0.13 4.92 3.76 -0.82 -5.00 115.29 119.42 1u1c s HIS 152 Ca 0.06 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1u1c s HIS 152 Cb -0.11 -1.28 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 1u1c s HIS 152 CO 0.01 -0.21 -0.15 0.08 -0.85 0.00 0.00 174.74 173.62 1u1c s VAL 153 N 0.10 2.87 -2.31 -0.90 1.01 -1.26 -1.49 120.40 118.42 1u1c s VAL 153 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1u1c s VAL 153 Cb -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1u1c s VAL 153 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1c n GLY 154 N 3.54 -0.60 3.84 4.51 0.00 -0.96 -4.99 105.19 110.52 1u1c n GLY 154 Ca -0.18 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1u1c n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1c s VAL 155 N -3.50 4.87 0.01 1.61 1.01 -1.26 -1.32 120.40 121.81 1u1c s VAL 155 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 61.98 62.94 1u1c s VAL 155 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1u1c s VAL 155 CO 0.00 0.35 -0.24 -0.89 0.00 0.00 0.00 175.10 174.32 1u1c s THR 156 N -1.34 2.26 -0.35 3.92 2.01 -0.85 -1.00 115.64 120.29 1u1c s THR 156 Ca 0.34 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 1u1c s THR 156 Cb -0.16 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1u1c s THR 156 CO 0.18 0.48 0.50 0.00 -0.69 0.00 0.00 174.62 175.10 1u1c s ALA 157 N -0.72 3.48 -0.43 7.40 0.00 -0.22 0.24 121.76 131.51 1u1c s ALA 157 Ca 0.11 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1u1c s ALA 157 Cb -0.10 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.09 1u1c s ALA 157 CO 0.01 -1.19 0.31 0.45 0.00 0.00 0.00 175.76 175.34 1u1c s SER 158 N 1.75 5.86 -0.05 0.00 0.15 -0.68 -1.92 113.70 118.81 1u1c s SER 158 Ca 0.18 -1.37 -0.04 0.00 0.70 0.00 0.00 55.95 55.42 1u1c s SER 158 Cb -0.16 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1u1c s SER 158 CO 0.13 -0.56 0.16 -0.55 1.20 0.00 0.00 173.24 173.62 1u1c s SER 159 N 2.24 6.35 0.00 5.45 0.15 0.22 -1.59 113.70 126.52 1u1c s SER 159 Ca 0.03 0.38 0.26 0.00 0.70 0.00 0.00 55.95 57.32 1u1c s SER 159 Cb -0.23 -2.01 1.53 0.00 -1.71 0.00 0.00 66.02 63.60 1u1c s SER 159 CO 0.05 0.32 1.93 0.47 1.20 0.00 0.00 173.24 177.20 1u1c n ASP 160 N 1.34 0.00 -3.89 5.45 9.92 -0.30 -4.34 116.55 124.73 1u1c n ASP 160 Ca -0.14 -0.99 -0.10 0.00 -0.53 0.00 0.00 54.79 53.03 1u1c n ASP 160 Cb 0.53 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.92 1u1c n ASP 160 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1u1c s THR 161 N -2.00 0.10 -0.01 -3.53 -1.32 -1.26 -5.01 115.64 102.62 1u1c s THR 161 Ca 0.39 -0.85 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 1u1c s THR 161 Cb 0.18 -0.64 -0.25 0.00 -1.51 0.00 0.00 72.50 70.27 1u1c s THR 161 CO 0.30 -0.47 0.81 0.15 -2.21 0.00 0.00 174.62 173.20 1u1c h PHE 162 N 3.96 0.27 0.00 9.09 3.57 -1.97 -3.39 116.94 128.46 1u1c h PHE 162 Ca -0.32 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1u1c h PHE 162 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1u1c h PHE 162 CO 0.56 1.27 0.00 0.66 -2.23 0.00 0.00 178.31 178.57 1u1c n TYR 163 N -3.33 0.00 -0.00 0.41 4.02 -1.26 -4.31 117.16 112.69 1u1c n TYR 163 Ca -0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1u1c n TYR 163 Cb 1.03 -0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.65 1u1c n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1c h PRO 164 N 0.00 0.53 0.00 -0.72 0.13 -1.88 0.12 132.00 130.17 1u1c h PRO 164 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1u1c h PRO 164 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1u1c h PRO 164 CO 0.00 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1u1c n GLY 165 N -0.87 -1.52 1.08 1.56 0.00 -1.26 -1.62 105.19 102.56 1u1c n GLY 165 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1u1c n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u1c n GLN 166 N -2.18 3.29 -4.00 1.61 6.02 -0.89 -4.94 117.38 116.29 1u1c n GLN 166 Ca 0.04 -2.69 -0.29 0.00 -0.01 0.00 0.00 57.00 54.05 1u1c n GLN 166 Cb 0.34 -1.76 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 1u1c n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1c n GLU 167 N 0.22 -3.71 -3.03 -1.09 2.13 -0.64 -4.93 120.64 109.58 1u1c n GLU 167 Ca 0.21 0.44 -0.40 0.00 0.66 0.00 0.00 57.16 58.06 1u1c n GLU 167 Cb 0.81 -4.88 -0.05 0.00 0.27 0.00 0.00 31.44 27.59 1u1c n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1c s ARG 168 N -6.62 4.34 -0.00 5.31 0.52 0.35 -4.95 118.95 117.90 1u1c s ARG 168 Ca 0.30 0.83 0.19 0.00 -0.52 0.00 0.00 55.73 56.53 1u1c s ARG 168 Cb -0.16 -3.51 -0.22 0.00 0.52 0.00 0.00 34.95 31.58 1u1c s ARG 168 CO 0.88 -0.11 0.75 0.66 0.02 0.00 0.00 175.30 177.50 1u1c n TYR 169 N 4.46 0.00 -1.20 -0.53 4.02 -1.26 -4.36 117.16 118.29 1u1c n TYR 169 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1u1c n TYR 169 Cb 0.50 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 1u1c n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1c n ASP 170 N -1.56 6.31 -4.10 7.72 5.75 -1.26 -4.32 116.55 125.09 1u1c n ASP 170 Ca 0.03 -2.55 -0.25 0.00 -0.01 0.00 0.00 54.79 52.00 1u1c n ASP 170 Cb 0.33 -1.40 -0.08 0.00 -1.03 0.00 0.00 41.12 38.93 1u1c n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1c s THR 171 N 2.95 0.59 0.09 2.12 -4.23 -1.26 -5.03 115.64 110.87 1u1c s THR 171 Ca 0.56 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 1u1c s THR 171 Cb 0.15 -2.35 -0.14 0.00 1.34 0.00 0.00 72.50 71.49 1u1c s THR 171 CO -0.04 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.98 1u1c h TYR 172 N 1.80 -0.11 0.12 3.99 5.03 -1.99 -3.19 116.97 122.62 1u1c h TYR 172 Ca -0.35 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 60.68 1u1c h TYR 172 Cb 1.27 0.04 0.01 0.00 1.55 0.00 0.00 36.73 39.61 1u1c h TYR 172 CO 1.50 -0.07 -1.21 0.66 -1.32 0.00 0.00 178.16 177.72 1u1c h SER 173 N -0.10 0.58 -0.15 -2.11 4.64 -1.97 -3.47 113.55 110.97 1u1c h SER 173 Ca 0.00 -0.57 -0.06 0.00 -0.47 0.00 0.00 61.79 60.69 1u1c h SER 173 Cb 0.10 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1u1c h SER 173 CO -0.01 1.42 -0.06 0.61 -0.87 0.00 0.00 176.83 177.92 1u1c n GLY 174 N 1.41 0.61 3.37 -0.77 0.00 -1.21 -5.03 105.19 103.58 1u1c n GLY 174 Ca -0.10 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1u1c n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1c s ARG 175 N -1.57 1.37 -0.10 1.61 1.70 -1.26 -4.95 118.95 115.75 1u1c s ARG 175 Ca 0.00 -1.37 0.03 0.00 -0.47 0.00 0.00 55.73 53.92 1u1c s ARG 175 Cb 0.00 -1.75 0.01 0.00 -0.57 0.00 0.00 34.95 32.64 1u1c s ARG 175 CO 0.00 0.40 -0.19 0.08 -1.08 0.00 0.00 175.30 174.51 1u1c s VAL 176 N -1.31 1.70 0.46 4.99 1.01 -1.26 -4.92 120.40 121.07 1u1c s VAL 176 Ca 0.14 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 1u1c s VAL 176 Cb -0.09 -1.51 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1u1c s VAL 176 CO 0.07 0.48 0.94 0.55 0.00 0.00 0.00 175.10 177.14 1u1c n VAL 177 N 3.87 2.57 -0.31 2.92 3.14 -1.26 -4.61 118.33 124.65 1u1c n VAL 177 Ca -0.20 -0.50 0.15 0.00 -2.96 0.00 0.00 64.34 60.83 1u1c n VAL 177 Cb 0.52 -1.08 0.31 0.00 -1.06 0.00 0.00 33.84 32.53 1u1c n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1c h ARG 178 N 1.25 0.15 -0.91 1.45 2.43 -2.00 -0.25 114.38 116.50 1u1c h ARG 178 Ca -0.45 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 58.85 1u1c h ARG 178 Cb 1.35 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.79 1u1c h ARG 178 CO 0.55 0.10 0.58 1.25 -1.51 0.00 0.00 179.97 180.94 1u1c h HIS 179 N 0.15 0.87 -0.24 2.20 2.76 -2.02 -2.26 115.15 116.62 1u1c h HIS 179 Ca 0.58 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 1u1c h HIS 179 Cb 1.22 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1u1c h HIS 179 CO -0.29 0.32 0.00 1.19 -1.30 0.00 0.00 177.93 177.85 1u1c n PHE 180 N -4.57 0.30 -2.14 5.26 3.01 -0.14 -4.79 117.46 114.38 1u1c n PHE 180 Ca 0.18 -0.17 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1u1c n PHE 180 Cb 0.45 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 1u1c n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1c s LYS 181 N -1.52 4.22 0.00 -1.08 -0.14 -0.85 -2.27 119.74 118.09 1u1c s LYS 181 Ca 0.32 2.03 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 1u1c s LYS 181 Cb 0.20 -3.81 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 1u1c s LYS 181 CO 0.28 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.54 1u1c n GLY 182 N 3.89 0.38 0.27 -3.33 0.00 -1.26 -4.92 105.19 100.22 1u1c n GLY 182 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1u1c n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1c h SER 183 N 0.00 0.87 -0.86 1.61 4.64 -1.76 -2.86 113.55 115.19 1u1c h SER 183 Ca 0.00 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1u1c h SER 183 Cb 0.26 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1u1c h SER 183 CO 0.00 1.07 0.45 -0.03 -0.87 0.00 0.00 176.83 177.46 1u1c h MET 184 N 0.73 1.21 -0.56 4.77 -1.53 -1.92 -1.18 114.93 116.45 1u1c h MET 184 Ca 0.09 -0.15 -0.06 0.00 -3.44 0.00 0.00 59.70 56.14 1u1c h MET 184 Cb 0.79 -0.23 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1u1c h MET 184 CO 0.07 0.90 0.11 1.49 0.14 0.00 0.00 176.91 179.61 1u1c h GLU 185 N 1.20 0.88 -0.18 0.39 4.81 -1.95 -0.67 114.58 119.06 1u1c h GLU 185 Ca 0.30 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1u1c h GLU 185 Cb 0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1u1c h GLU 185 CO -0.05 0.81 0.07 0.93 -0.73 0.00 0.00 179.01 180.05 1u1c h GLU 186 N 0.84 0.26 -0.71 1.92 4.39 -1.18 -1.79 114.58 118.31 1u1c h GLU 186 Ca 0.18 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1u1c h GLU 186 Cb 0.35 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1u1c h GLU 186 CO 0.00 0.33 0.34 -1.49 -1.16 0.00 0.00 179.01 177.04 1u1c h TRP 187 N 0.14 1.02 -0.23 4.33 -0.00 -1.07 -2.06 115.95 118.08 1u1c h TRP 187 Ca 0.06 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.93 1u1c h TRP 187 Cb 0.16 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 28.98 1u1c h TRP 187 CO -0.02 0.75 0.04 1.96 -0.00 0.00 0.00 178.44 181.18 1u1c h GLN 188 N 0.99 0.13 0.00 0.49 4.20 -1.00 -0.81 115.11 119.10 1u1c h GLN 188 Ca 0.24 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1u1c h GLN 188 Cb 0.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1u1c h GLN 188 CO -0.03 0.08 -0.15 0.00 -0.67 0.00 0.00 178.83 178.06 1u1c h ALA 189 N 1.17 1.15 -0.01 3.87 0.00 -1.21 -2.00 119.26 122.22 1u1c h ALA 189 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u1c h ALA 189 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u1c h ALA 189 CO -0.14 0.18 -0.08 -1.33 0.00 0.00 0.00 179.25 177.88 1u1c n MET 190 N -3.48 0.92 -0.71 0.00 2.81 -0.78 -4.93 117.12 110.95 1u1c n MET 190 Ca -0.01 -0.34 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 1u1c n MET 190 Cb 0.31 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1u1c n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1c n GLY 191 N 1.22 0.60 3.71 3.03 0.00 -0.75 -5.03 105.19 107.98 1u1c n GLY 191 Ca 0.17 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1u1c n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1c s VAL 192 N -2.00 2.90 0.03 1.61 1.01 -0.38 -4.58 120.40 118.99 1u1c s VAL 192 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 1u1c s VAL 192 Cb 0.00 -3.39 -0.23 0.00 0.00 0.00 0.00 36.38 32.76 1u1c s VAL 192 CO 0.00 0.04 1.14 0.24 0.00 0.00 0.00 175.10 176.52 1u1c h MET 193 N 7.00 0.51 -2.85 2.72 0.00 -1.39 -3.42 114.93 117.50 1u1c h MET 193 Ca -0.42 -0.52 0.09 0.00 0.00 0.00 0.00 59.70 58.84 1u1c h MET 193 Cb 1.20 0.14 -0.05 0.00 0.00 0.00 0.00 31.60 32.90 1u1c h MET 193 CO 0.90 1.16 0.29 0.54 0.00 0.00 0.00 176.91 179.80 1u1c s ASN 194 N -6.89 -0.22 -0.07 1.22 6.03 -1.26 -1.02 114.94 112.74 1u1c s ASN 194 Ca -0.12 -0.61 0.02 0.00 -1.03 0.00 0.00 52.86 51.12 1u1c s ASN 194 Cb 0.05 0.68 -0.02 0.00 -3.03 0.00 0.00 41.25 38.93 1u1c s ASN 194 CO 0.85 -1.28 -0.13 -0.31 -2.03 0.00 0.00 177.10 174.21 1u1c s TYR 195 N -3.64 2.76 0.00 1.54 4.12 -0.38 -1.05 117.35 120.70 1u1c s TYR 195 Ca 0.12 -0.21 0.00 0.00 0.02 0.00 0.00 57.07 57.00 1u1c s TYR 195 Cb -0.05 -1.68 0.00 0.00 -1.52 0.00 0.00 41.96 38.71 1u1c s TYR 195 CO 0.06 0.14 0.00 -0.85 0.02 0.00 0.00 175.55 174.92 1u1c n GLU 196 N 2.51 0.00 0.00 -0.62 -0.00 -0.81 -2.62 120.64 119.10 1u1c n GLU 196 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1u1c n GLU 196 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1u1c n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1c n MET 197 N 0.00 0.97 0.00 3.44 2.81 -1.26 -0.61 117.12 122.47 1u1c n MET 197 Ca 0.00 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1u1c n MET 197 Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1u1c n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1c n GLU 198 N -0.18 2.36 -0.03 0.03 4.71 -1.26 -3.31 120.64 122.96 1u1c n GLU 198 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1u1c n GLU 198 Cb 0.33 -0.77 -0.04 0.00 -1.01 0.00 0.00 31.44 29.95 1u1c n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1c h SER 199 N 0.00 0.19 -0.31 1.62 4.64 -1.95 -2.67 113.55 115.07 1u1c h SER 199 Ca 0.00 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1u1c h SER 199 Cb 0.36 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 1u1c h SER 199 CO 0.00 0.14 -0.10 0.00 -0.87 0.00 0.00 176.83 175.99 1u1c h ALA 200 N 1.07 0.17 0.07 5.18 0.00 -1.89 0.21 119.26 124.08 1u1c h ALA 200 Ca 0.07 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1u1c h ALA 200 Cb -0.02 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u1c h ALA 200 CO -0.02 -0.49 -0.05 1.15 0.00 0.00 0.00 179.25 179.84 1u1c h THR 201 N -0.04 0.90 -0.07 0.00 2.02 -1.92 -0.90 112.91 112.90 1u1c h THR 201 Ca 0.15 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1u1c h THR 201 Cb 0.27 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1u1c h THR 201 CO -0.34 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 175.79 1u1c h LEU 202 N -0.12 -0.04 -0.53 2.58 5.85 -1.07 -1.64 115.31 120.33 1u1c h LEU 202 Ca -0.00 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1u1c h LEU 202 Cb 0.10 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1u1c h LEU 202 CO 0.00 -0.01 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.56 1u1c h LEU 203 N 0.02 0.72 0.02 2.25 3.38 -0.57 -2.25 115.31 118.88 1u1c h LEU 203 Ca 0.03 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1u1c h LEU 203 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1u1c h LEU 203 CO -0.06 1.07 -0.01 0.74 0.09 0.00 0.00 178.44 180.27 1u1c h THR 204 N 0.53 1.22 0.00 0.22 2.02 -1.10 -1.92 112.91 113.88 1u1c h THR 204 Ca 0.03 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1u1c h THR 204 Cb 1.01 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1u1c h THR 204 CO 0.09 0.19 -0.29 0.00 0.37 0.00 0.00 175.52 175.89 1u1c h MET 205 N -0.35 0.00 0.13 6.66 -0.00 -1.31 -2.09 114.93 117.98 1u1c h MET 205 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 1u1c h MET 205 Cb 0.33 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.95 1u1c h MET 205 CO 0.00 0.29 -0.87 0.00 -0.00 0.00 0.00 176.91 176.33 1u1c h ALA 207 N 0.05 1.00 -0.02 0.00 0.00 -1.28 0.12 119.26 119.13 1u1c h ALA 207 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u1c h ALA 207 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1u1c h ALA 207 CO 0.13 0.00 -0.24 -1.13 0.00 0.00 0.00 179.25 178.01 1u1c n SER 208 N -2.70 2.51 0.00 0.00 3.41 -0.79 -4.42 113.62 111.63 1u1c n SER 208 Ca 0.02 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1u1c n SER 208 Cb 0.30 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1u1c n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1c n GLN 209 N 0.66 1.50 -2.65 4.33 6.02 -1.04 -5.02 117.38 121.18 1u1c n GLN 209 Ca 0.12 -1.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.03 1u1c n GLN 209 Cb 0.53 -0.85 0.02 0.00 1.02 0.00 0.00 30.24 30.97 1u1c n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1c n GLY 210 N -0.27 0.47 3.18 1.08 0.00 -0.98 -5.04 105.19 103.63 1u1c n GLY 210 Ca 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 1u1c n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1c s LEU 211 N -2.76 2.05 0.01 0.99 1.43 0.36 -5.05 118.68 115.71 1u1c s LEU 211 Ca 0.10 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 1u1c s LEU 211 Cb -0.05 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1u1c s LEU 211 CO 0.19 0.20 0.77 -0.13 0.23 0.00 0.00 176.35 177.60 1u1c s ARG 212 N -0.53 4.48 -0.01 1.70 0.52 -0.80 -3.89 118.95 120.41 1u1c s ARG 212 Ca 0.07 1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 56.31 1u1c s ARG 212 Cb -0.07 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 32.01 1u1c s ARG 212 CO -0.00 0.18 0.03 0.00 0.02 0.00 0.00 175.30 175.53 1u1c s ALA 213 N 0.31 -0.05 0.18 2.13 0.00 -1.26 -0.94 121.76 122.13 1u1c s ALA 213 Ca 0.40 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.59 1u1c s ALA 213 Cb -0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1u1c s ALA 213 CO 0.22 -0.04 -0.16 0.20 0.00 0.00 0.00 175.76 175.98 1u1c s GLY 214 N 0.28 1.38 -0.05 0.00 0.00 -0.24 -0.42 107.32 108.27 1u1c s GLY 214 Ca -0.02 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 1u1c s GLY 214 CO -0.01 -1.61 0.03 -0.29 0.00 0.00 0.00 173.10 171.22 1u1c s MET 215 N -3.13 0.20 0.02 2.90 1.75 -1.26 -0.93 119.30 118.85 1u1c s MET 215 Ca 0.18 0.23 0.03 0.00 -1.25 0.00 0.00 55.69 54.87 1u1c s MET 215 Cb -0.04 -0.63 -0.01 0.00 2.84 0.00 0.00 34.83 36.99 1u1c s MET 215 CO 0.06 -0.27 -0.08 0.54 -0.65 0.00 0.00 175.02 174.62 1u1c s VAL 216 N 1.82 0.64 -0.01 10.11 0.11 -0.44 -2.11 120.40 130.53 1u1c s VAL 216 Ca 0.01 -0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 58.35 1u1c s VAL 216 Cb -0.12 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1u1c s VAL 216 CO -0.03 -0.03 0.15 0.00 -3.33 0.00 0.00 175.10 171.86 1u1c s ALA 217 N -0.63 -0.36 -0.17 1.54 0.00 -0.66 -1.45 121.76 120.04 1u1c s ALA 217 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 1u1c s ALA 217 Cb -0.06 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1u1c s ALA 217 CO 0.00 -0.18 0.07 0.20 0.00 0.00 0.00 175.76 175.85 1u1c s GLY 218 N -1.08 1.94 -0.34 0.00 0.00 -0.81 -0.65 107.32 106.38 1u1c s GLY 218 Ca -0.12 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 1u1c s GLY 218 CO 0.01 -0.06 1.01 0.14 0.00 0.00 0.00 173.10 174.20 1u1c s VAL 219 N 0.07 4.55 -0.22 1.40 1.01 -0.33 -1.69 120.40 125.18 1u1c s VAL 219 Ca 0.06 1.52 0.14 0.00 0.00 0.00 0.00 61.98 63.69 1u1c s VAL 219 Cb -0.12 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 1u1c s VAL 219 CO 0.01 -0.49 0.39 2.30 0.00 0.00 0.00 175.10 177.31 1u1c n ILE 220 N 5.90 0.00 -3.82 2.22 -5.35 -1.03 0.18 119.36 117.45 1u1c n ILE 220 Ca 0.10 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 1u1c n ILE 220 Cb 0.48 0.46 -0.12 0.00 -1.74 0.00 0.00 39.64 38.71 1u1c n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1c s VAL 221 N -2.73 0.01 -0.19 7.28 1.01 -1.24 -4.91 120.40 119.63 1u1c s VAL 221 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1u1c s VAL 221 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.25 1u1c s VAL 221 CO 0.57 -0.02 -0.12 0.21 0.00 0.00 0.00 175.10 175.73 1u1c s ASN 222 N -0.01 3.77 0.45 3.32 3.84 -1.26 -0.26 114.94 124.78 1u1c s ASN 222 Ca -0.01 -0.49 0.23 0.00 0.21 0.00 0.00 52.86 52.79 1u1c s ASN 222 Cb -0.01 -1.61 1.05 0.00 -0.55 0.00 0.00 41.25 40.12 1u1c s ASN 222 CO 0.00 0.01 1.90 0.03 -2.79 0.00 0.00 177.10 176.26 1u1c h ARG 223 N 7.88 0.00 0.00 0.43 2.47 -1.17 -2.70 114.38 121.29 1u1c h ARG 223 Ca -0.41 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.28 1u1c h ARG 223 Cb 1.16 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1u1c h ARG 223 CO 0.61 0.23 -0.23 1.79 0.56 0.00 0.00 179.97 182.93 1u1c h THR 224 N 0.00 0.17 0.00 2.04 1.35 -1.86 -3.51 112.91 111.10 1u1c h THR 224 Ca -0.00 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1u1c h THR 224 Cb 0.60 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1u1c h THR 224 CO 0.03 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 1u1c n GLN 225 N -3.08 0.00 0.00 4.72 10.64 -1.02 -5.10 117.38 123.55 1u1c n GLN 225 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1u1c n GLN 225 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1u1c n GLN 225 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1u1c n MET 234 N 0.00 0.00 -0.04 2.61 2.81 -1.26 -5.01 117.12 116.23 1u1c n MET 234 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1u1c n MET 234 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.40 1u1c n MET 234 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1u1c h LYS 235 N 0.00 -0.03 0.00 0.03 6.56 -2.02 -3.29 116.57 117.82 1u1c h LYS 235 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1u1c h LYS 235 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1u1c h LYS 235 CO 0.00 0.69 0.00 0.00 -2.06 0.00 0.00 179.45 178.08 1u1c n GLN 236 N -4.73 0.03 -0.05 3.15 0.00 -1.26 -2.61 117.38 111.91 1u1c n GLN 236 Ca -0.09 0.12 -0.16 0.00 0.00 0.00 0.00 57.00 56.88 1u1c n GLN 236 Cb 0.36 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.03 1u1c n GLN 236 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1u1c h THR 237 N 0.00 1.30 -0.04 -0.39 2.02 -1.90 -2.77 112.91 111.13 1u1c h THR 237 Ca 0.00 -1.80 -0.15 0.00 0.77 0.00 0.00 66.41 65.23 1u1c h THR 237 Cb 0.36 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1u1c h THR 237 CO 0.00 0.57 -0.65 -0.08 0.37 0.00 0.00 175.52 175.72 1u1c h GLU 238 N 0.45 0.18 -0.67 6.66 4.81 -1.57 -3.00 114.58 121.44 1u1c h GLU 238 Ca -0.02 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1u1c h GLU 238 Cb 1.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1u1c h GLU 238 CO 0.12 0.77 0.41 1.03 -0.73 0.00 0.00 179.01 180.61 1u1c h SER 239 N 0.13 0.79 -0.21 1.04 0.87 -1.50 -0.14 113.55 114.53 1u1c h SER 239 Ca -0.01 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1u1c h SER 239 Cb 1.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1u1c h SER 239 CO 0.10 0.61 -0.07 0.45 -0.53 0.00 0.00 176.83 177.39 1u1c h HIS 240 N 0.90 0.48 -0.42 2.24 3.86 -1.51 -2.71 115.15 117.99 1u1c h HIS 240 Ca 0.24 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1u1c h HIS 240 Cb -0.04 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1u1c h HIS 240 CO -0.02 0.68 -0.06 0.00 0.86 0.00 0.00 177.93 179.39 1u1c h ALA 241 N 0.73 0.57 -0.64 2.45 0.00 -1.42 -2.54 119.26 118.42 1u1c h ALA 241 Ca 0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1u1c h ALA 241 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1u1c h ALA 241 CO 0.02 0.41 0.16 0.28 0.00 0.00 0.00 179.25 180.13 1u1c h VAL 242 N 0.61 1.25 -0.13 0.00 2.07 -1.08 -1.85 116.25 117.12 1u1c h VAL 242 Ca 0.11 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1u1c h VAL 242 Cb 0.57 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1u1c h VAL 242 CO 0.03 0.34 -0.14 0.11 0.02 0.00 0.00 177.57 177.93 1u1c h LYS 243 N 0.95 0.20 -0.08 1.57 1.57 -1.40 -2.55 116.57 116.84 1u1c h LYS 243 Ca 0.20 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1u1c h LYS 243 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u1c h LYS 243 CO -0.00 0.35 -0.23 0.82 -0.57 0.00 0.00 179.45 179.82 1u1c h ILE 244 N 0.19 1.42 0.00 1.86 2.04 -0.96 -2.19 117.51 119.87 1u1c h ILE 244 Ca 0.04 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1u1c h ILE 244 Cb 0.37 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1u1c h ILE 244 CO 0.02 0.45 -0.29 1.62 0.00 0.00 0.00 178.15 179.96 1u1c h VAL 245 N -0.19 0.94 0.13 1.67 3.04 -1.29 0.58 116.25 121.13 1u1c h VAL 245 Ca -0.01 -1.09 -0.24 0.00 -1.01 0.00 0.00 66.70 64.35 1u1c h VAL 245 Cb 0.85 1.64 0.03 0.00 -2.01 0.00 0.00 31.29 31.80 1u1c h VAL 245 CO 0.05 0.28 -1.03 0.58 -1.01 0.00 0.00 177.57 176.44 1u1c h VAL 246 N 0.00 1.38 -0.39 1.51 2.07 -1.52 -2.72 116.25 116.58 1u1c h VAL 246 Ca -0.00 -2.45 -0.08 0.00 0.82 0.00 0.00 66.70 64.99 1u1c h VAL 246 Cb 0.61 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1u1c h VAL 246 CO 0.04 0.72 -0.07 -0.08 0.02 0.00 0.00 177.57 178.19 1u1c h GLU 247 N -0.02 0.66 -0.24 1.57 4.57 -1.12 -2.41 114.58 117.59 1u1c h GLU 247 Ca -0.16 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 57.69 1u1c h GLU 247 Cb 1.76 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.27 1u1c h GLU 247 CO 0.20 0.73 -0.41 0.00 -1.18 0.00 0.00 179.01 178.35 1u1c h ALA 248 N 1.31 0.83 -0.23 2.92 0.00 -0.98 -2.93 119.26 120.18 1u1c h ALA 248 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1u1c h ALA 248 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1u1c h ALA 248 CO 0.03 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.93 1u1c h ALA 249 N 1.07 1.60 -0.29 0.00 0.00 -1.18 -2.43 119.26 118.03 1u1c h ALA 249 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1u1c h ALA 249 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1u1c h ALA 249 CO 0.08 0.30 0.04 0.00 0.00 0.00 0.00 179.25 179.67 1u1c h ARG 250 N 0.32 0.43 0.00 0.00 3.08 -1.25 -2.88 114.38 114.08 1u1c h ARG 250 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1u1c h ARG 250 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1u1c h ARG 250 CO 0.00 0.42 -0.38 0.00 -1.07 0.00 0.00 179.97 178.95 1u1c h ARG 251 N 0.42 0.00 -0.02 0.04 3.08 -1.45 -3.33 114.38 113.12 1u1c h ARG 251 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1u1c h ARG 251 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1u1c h ARG 251 CO 0.00 0.00 -0.17 1.28 -1.07 0.00 0.00 179.97 180.01 1u1c n LEU 252 N -2.72 2.64 -0.27 3.04 4.77 -1.10 -5.08 117.00 118.29 1u1c n LEU 252 Ca 0.03 -0.91 0.15 0.00 -0.03 0.00 0.00 56.01 55.24 1u1c n LEU 252 Cb 0.51 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.31 1u1c n LEU 252 CO 0.36 0.45 0.98 0.18 -1.33 0.00 0.00 177.39 178.03