#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1c n ASP 5 N 0.00 1.04 -4.51 -3.46 10.43 -0.94 -4.95 116.55 114.15 1u1c n ASP 5 Ca 0.00 -0.85 -0.25 0.00 2.57 0.00 0.00 54.79 56.27 1u1c n ASP 5 Cb 0.00 0.52 -0.10 0.00 1.84 0.00 0.00 41.12 43.38 1u1c n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1c s VAL 6 N -2.81 2.47 -0.14 2.53 -7.23 -1.25 -5.07 120.40 108.90 1u1c s VAL 6 Ca 0.14 -2.29 0.18 0.00 -1.81 0.00 0.00 61.98 58.20 1u1c s VAL 6 Cb 0.17 -2.47 0.14 0.00 0.56 0.00 0.00 36.38 34.78 1u1c s VAL 6 CO 0.70 -0.32 1.54 -0.26 -0.31 0.00 0.00 175.10 176.45 1u1c h PHE 7 N 2.14 0.00 0.00 2.82 0.05 -1.95 -3.41 116.94 116.59 1u1c h PHE 7 Ca -0.41 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.38 1u1c h PHE 7 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.21 1u1c h PHE 7 CO 0.78 0.38 -0.68 0.72 -0.18 0.00 0.00 178.31 179.33 1u1c n HIS 8 N -3.24 0.00 0.21 -0.55 8.25 -1.26 -4.86 115.22 113.77 1u1c n HIS 8 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1u1c n HIS 8 Cb 0.65 0.08 0.43 0.00 1.12 0.00 0.00 29.99 32.26 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 -1.21 2.41 3.38 -1.92 -3.44 115.31 114.52 1u1c h LEU 9 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1u1c h LEU 9 Cb 0.68 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.50 1u1c h LEU 9 CO 0.00 0.29 -0.35 0.61 0.09 0.00 0.00 178.44 179.08 1u1c n GLY 10 N 0.05 0.17 3.12 0.83 0.00 -1.26 -4.70 105.19 103.40 1u1c n GLY 10 Ca -0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.09 2.21 0.30 0.99 1.43 -1.26 -4.77 118.68 113.49 1u1c s LEU 11 Ca 0.20 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1u1c s LEU 11 Cb -0.09 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1u1c s LEU 11 CO 0.36 -0.05 0.37 0.42 0.23 0.00 0.00 176.35 177.68 1u1c s THR 12 N -1.03 4.31 0.53 5.49 -4.23 -1.26 -2.22 115.64 117.23 1u1c s THR 12 Ca -0.02 -1.12 0.18 0.00 -1.18 0.00 0.00 61.69 59.55 1u1c s THR 12 Cb -0.08 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.56 1u1c s THR 12 CO 0.01 -0.23 2.16 0.50 -0.54 0.00 0.00 174.62 176.52 1u1c h LYS 13 N 1.11 0.00 -0.05 3.99 3.64 -1.96 -2.21 116.57 121.09 1u1c h LYS 13 Ca -0.47 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 1u1c h LYS 13 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1u1c h LYS 13 CO 0.57 0.00 -0.57 -0.91 -2.27 0.00 0.00 179.45 176.27 1u1c h ASN 14 N 0.00 0.15 0.11 4.20 2.35 -1.95 -3.17 115.58 117.28 1u1c h ASN 14 Ca 0.01 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1u1c h ASN 14 Cb 0.03 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1u1c h ASN 14 CO -0.00 0.69 -0.11 0.44 -1.65 0.00 0.00 177.43 176.79 1u1c h ASP 15 N 0.11 0.01 1.22 5.81 3.45 -1.79 -2.58 116.42 122.64 1u1c h ASP 15 Ca -0.00 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 1u1c h ASP 15 Cb 1.03 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 1u1c h ASP 15 CO 0.08 0.12 -0.51 -0.07 -1.57 0.00 0.00 179.24 177.29 1u1c h LEU 16 N 0.01 0.00 -0.55 1.55 4.07 -1.62 -3.48 115.31 115.28 1u1c h LEU 16 Ca 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.56 1u1c h LEU 16 Cb 0.21 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.07 1u1c h LEU 16 CO 0.01 0.51 -0.67 0.00 -1.08 0.00 0.00 178.44 177.22 1u1c n GLN 17 N -3.34 -7.49 -1.57 1.13 6.02 -0.97 -2.82 117.38 108.33 1u1c n GLN 17 Ca 0.01 0.84 -0.02 0.00 -0.01 0.00 0.00 57.00 57.83 1u1c n GLN 17 Cb 0.68 -5.86 -0.00 0.00 1.02 0.00 0.00 30.24 26.07 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 -1.94 0.40 3.74 1.08 0.00 -1.26 -4.83 105.19 102.38 1u1c n GLY 18 Ca -0.01 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.07 3.40 -0.04 4.61 0.00 -1.13 -4.94 121.76 121.60 1u1c s ALA 19 Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1u1c s ALA 19 Cb 0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1u1c s ALA 19 CO 0.00 -0.27 0.15 0.25 0.00 0.00 0.00 175.76 175.89 1u1c n THR 20 N 2.23 0.00 -4.62 0.00 -2.24 -1.26 -4.16 114.28 104.23 1u1c n THR 20 Ca 0.03 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1u1c n THR 20 Cb 0.45 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 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 -3.26 3.14 -0.03 3.22 0.20 -1.26 -0.17 118.68 120.52 1u1c s LEU 21 Ca -0.02 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.76 1u1c s LEU 21 Cb 0.04 -1.70 0.02 0.00 -0.43 0.00 0.00 46.19 44.12 1u1c s LEU 21 CO 0.25 0.35 -0.02 0.00 -0.29 0.00 0.00 176.35 176.64 1u1c s ALA 22 N -0.83 0.40 -0.18 5.97 0.00 -0.24 -2.18 121.76 124.70 1u1c s ALA 22 Ca 0.13 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 1u1c s ALA 22 Cb -0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1u1c s ALA 22 CO 0.02 -0.03 0.49 0.42 0.00 0.00 0.00 175.76 176.67 1u1c s ILE 23 N 0.79 5.14 -0.41 0.00 1.01 0.59 -1.21 121.20 127.11 1u1c s ILE 23 Ca -0.09 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.52 1u1c s ILE 23 Cb -0.12 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.64 1u1c s ILE 23 CO -0.01 0.22 0.15 0.68 0.00 0.00 0.00 174.94 175.98 1u1c s VAL 24 N 1.37 2.56 0.64 2.92 -7.23 0.21 -2.10 120.40 118.78 1u1c s VAL 24 Ca 0.24 -2.61 -0.09 0.00 -1.81 0.00 0.00 61.98 57.71 1u1c s VAL 24 Cb -0.15 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1u1c s VAL 24 CO 0.10 -0.68 1.00 -2.16 -0.31 0.00 0.00 175.10 173.05 1u1c s PRO 25 N 0.56 3.04 -0.12 4.82 0.04 -1.24 -2.62 135.00 139.48 1u1c s PRO 25 Ca 0.13 0.34 -0.23 0.00 0.04 0.00 0.00 61.00 61.28 1u1c s PRO 25 Cb -0.21 -2.13 -0.26 0.00 0.04 0.00 0.00 34.50 31.93 1u1c s PRO 25 CO -0.05 -0.80 0.66 0.78 0.04 0.00 0.00 177.00 177.62 1u1c h GLY 26 N -0.39 0.15 -5.01 0.56 0.00 -1.83 -0.66 103.07 95.89 1u1c h GLY 26 Ca -0.45 -0.38 -0.58 0.00 0.00 0.00 0.00 47.33 45.92 1u1c h GLY 26 CO 0.62 0.33 0.76 -0.35 0.00 0.00 0.00 176.54 177.90 1u1c s ASP 27 N -6.70 7.13 0.56 0.19 2.15 -1.26 -1.77 116.67 116.96 1u1c s ASP 27 Ca -0.20 1.42 0.37 0.00 0.43 0.00 0.00 52.55 54.57 1u1c s ASP 27 Cb 0.01 -2.54 1.88 0.00 -0.30 0.00 0.00 42.92 41.97 1u1c s ASP 27 CO 0.73 -0.63 2.13 1.55 -0.17 0.00 0.00 175.17 178.78 1u1c h PRO 28 N 7.39 0.00 0.00 4.34 0.13 -1.88 -2.03 132.00 139.96 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 0.95 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.28 1u1c h ASP 29 N 0.00 0.00 1.38 1.44 5.19 -1.97 -3.10 116.42 119.36 1u1c h ASP 29 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1u1c h ASP 29 Cb 0.17 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1u1c h ASP 29 CO 0.00 0.00 -0.63 0.03 -3.12 0.00 0.00 179.24 175.52 1u1c h ARG 30 N 0.00 0.00 -0.73 3.56 3.08 -1.77 -3.37 114.38 115.14 1u1c h ARG 30 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1u1c h ARG 30 Cb 0.66 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1u1c h ARG 30 CO 0.00 0.06 0.42 0.28 -1.07 0.00 0.00 179.97 179.66 1u1c h VAL 31 N 0.00 0.96 -0.77 2.04 2.07 -1.59 -1.34 116.25 117.61 1u1c h VAL 31 Ca -0.01 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1u1c h VAL 31 Cb 1.08 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1u1c h VAL 31 CO 0.01 0.14 0.34 -0.08 0.02 0.00 0.00 177.57 178.00 1u1c h GLU 32 N 0.75 1.13 -0.40 1.57 4.81 -1.76 -2.41 114.58 118.27 1u1c h GLU 32 Ca 0.34 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1u1c h GLU 32 Cb 0.24 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1u1c h GLU 32 CO -0.20 0.90 -0.01 0.87 -0.73 0.00 0.00 179.01 179.84 1u1c h LYS 33 N 1.10 0.71 -0.25 1.92 1.57 -1.53 -2.61 116.57 117.49 1u1c h LYS 33 Ca 0.26 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1u1c h LYS 33 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1u1c h LYS 33 CO -0.03 0.80 -0.36 0.82 -0.57 0.00 0.00 179.45 180.11 1u1c h ILE 34 N 0.54 1.31 0.00 1.86 2.04 -1.25 -3.23 117.51 118.77 1u1c h ILE 34 Ca 0.11 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.33 1u1c h ILE 34 Cb 0.49 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1u1c h ILE 34 CO 0.02 0.49 -0.43 0.00 0.00 0.00 0.00 178.15 178.23 1u1c h ALA 35 N 0.66 1.21 0.00 1.87 0.00 -1.47 -3.01 119.26 118.51 1u1c h ALA 35 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1u1c h ALA 35 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1u1c h ALA 35 CO 0.08 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1u1c h ALA 36 N 1.57 1.00 0.00 0.00 0.00 -1.48 -2.75 119.26 117.60 1u1c h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1c h ALA 36 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u1c h ALA 36 CO 0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1u1c n LEU 37 N -2.98 0.66 -4.99 0.00 4.77 -1.14 -4.84 117.00 108.49 1u1c n LEU 37 Ca 0.01 0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 56.36 1u1c n LEU 37 Cb 0.32 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1u1c n LEU 37 CO 0.27 -0.15 0.18 -0.04 -1.33 0.00 0.00 177.39 176.32 1u1c s MET 38 N -3.08 2.56 0.30 3.23 -1.94 -1.04 -5.10 119.30 114.23 1u1c s MET 38 Ca 0.11 -1.48 -0.28 0.00 -1.71 0.00 0.00 55.69 52.33 1u1c s MET 38 Cb 0.14 -2.60 -0.09 0.00 2.01 0.00 0.00 34.83 34.28 1u1c s MET 38 CO 0.58 -0.48 0.98 -0.51 -0.01 0.00 0.00 175.02 175.59 1u1c s ASP 39 N -4.41 7.35 -0.64 3.03 1.01 -0.55 -4.45 116.67 118.02 1u1c s ASP 39 Ca 0.54 1.97 -0.13 0.00 0.71 0.00 0.00 52.55 55.65 1u1c s ASP 39 Cb -0.07 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1u1c s ASP 39 CO 0.33 -0.06 0.64 0.29 0.21 0.00 0.00 175.17 176.58 1u1c n LYS 40 N 0.89 -1.75 -3.00 8.23 5.02 -1.26 -0.02 118.16 126.26 1u1c n LYS 40 Ca 0.01 1.38 -0.41 0.00 -2.02 0.00 0.00 58.31 57.27 1u1c n LYS 40 Cb 0.48 -3.77 -0.05 0.00 -0.02 0.00 0.00 35.03 31.67 1u1c n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1c s PRO 41 N -3.39 4.29 -0.05 1.97 0.04 -1.26 -4.08 135.00 132.53 1u1c s PRO 41 Ca 0.14 0.85 0.01 0.00 0.04 0.00 0.00 61.00 62.05 1u1c s PRO 41 Cb -0.02 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.98 1u1c s PRO 41 CO 0.83 -0.22 -0.06 0.08 0.04 0.00 0.00 177.00 177.66 1u1c s VAL 42 N 1.80 0.68 0.09 -0.36 1.01 0.23 -5.00 120.40 118.85 1u1c s VAL 42 Ca 0.35 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1u1c s VAL 42 Cb -0.16 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 1u1c s VAL 42 CO 0.13 0.25 1.19 -0.75 0.00 0.00 0.00 175.10 175.92 1u1c s LYS 43 N 0.79 4.46 -0.20 2.72 2.20 -1.26 -0.08 119.74 128.36 1u1c s LYS 43 Ca -0.12 1.78 -0.13 0.00 -0.36 0.00 0.00 55.97 57.15 1u1c s LYS 43 Cb -0.14 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 1u1c s LYS 43 CO 0.01 -0.20 -0.29 1.28 -0.36 0.00 0.00 175.35 175.79 1u1c n LEU 44 N 3.55 1.68 -3.52 5.43 4.77 -0.10 -4.91 117.00 123.91 1u1c n LEU 44 Ca 0.08 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1u1c n LEU 44 Cb 0.46 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1u1c n LEU 44 CO 0.55 0.19 0.31 0.00 -1.33 0.00 0.00 177.39 177.11 1u1c s ALA 45 N -2.54 -1.36 -0.24 -1.18 0.00 -1.15 -5.01 121.76 110.28 1u1c s ALA 45 Ca -0.29 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1u1c s ALA 45 Cb 0.09 0.68 0.11 0.00 0.00 0.00 0.00 23.12 24.00 1u1c s ALA 45 CO 0.39 -0.66 0.24 0.45 0.00 0.00 0.00 175.76 176.19 1u1c s SER 46 N -2.51 1.57 -0.05 0.00 0.15 -1.26 -0.87 113.70 110.74 1u1c s SER 46 Ca -0.00 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1u1c s SER 46 Cb -0.00 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1u1c s SER 46 CO -0.09 -0.35 -0.03 -1.00 1.20 0.00 0.00 173.24 172.96 1u1c s HIS 47 N 2.33 0.71 0.00 3.44 3.76 -0.43 -4.99 115.29 120.10 1u1c s HIS 47 Ca 0.08 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1u1c s HIS 47 Cb -0.15 -0.67 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1u1c s HIS 47 CO -0.20 -0.21 0.00 0.54 -0.85 0.00 0.00 174.74 174.01 1u1c n ARG 48 N 4.26 0.00 -0.16 1.40 1.74 -1.26 -0.24 116.66 122.39 1u1c n ARG 48 Ca -0.22 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.92 1u1c n ARG 48 Cb 0.51 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.09 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 0.00 2.71 -3.52 5.56 0.00 -1.26 -4.91 120.64 119.22 1u1c n GLU 49 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 57.16 54.75 1u1c n GLU 49 Cb 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 31.44 30.10 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 -0.99 3.41 -0.21 -1.84 0.40 0.67 -4.32 117.98 115.10 1u1c s PHE 50 Ca 0.22 -1.83 -0.06 0.00 -0.60 0.00 0.00 56.93 54.67 1u1c s PHE 50 Cb 0.12 -3.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 1u1c s PHE 50 CO 0.16 -0.99 0.03 0.99 0.70 0.00 0.00 175.22 176.10 1u1c s THR 51 N 1.30 4.19 -0.13 0.64 2.01 -1.26 -1.32 115.64 121.07 1u1c s THR 51 Ca 0.06 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1u1c s THR 51 Cb -0.26 -2.91 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 1u1c s THR 51 CO -0.01 0.42 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.26 1u1c s THR 52 N 1.00 2.47 -0.05 -0.82 2.01 -0.05 -2.26 115.64 117.94 1u1c s THR 52 Ca 0.03 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1u1c s THR 52 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1u1c s THR 52 CO 0.02 0.54 -0.22 0.26 -0.69 0.00 0.00 174.62 174.53 1u1c s TRP 53 N 0.59 2.13 -0.10 4.92 0.52 0.08 -0.93 118.94 126.15 1u1c s TRP 53 Ca -0.11 -0.61 -0.12 0.00 0.02 0.00 0.00 56.10 55.28 1u1c s TRP 53 Cb -0.16 -1.41 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 1u1c s TRP 53 CO 0.03 -0.19 0.28 0.50 0.02 0.00 0.00 176.95 177.59 1u1c s ARG 54 N -0.11 3.92 0.27 4.98 3.52 0.88 -1.16 118.95 131.24 1u1c s ARG 54 Ca -0.03 0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 1u1c s ARG 54 Cb -0.13 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1u1c s ARG 54 CO 0.03 0.53 0.18 0.00 -0.81 0.00 0.00 175.30 175.23 1u1c s ALA 55 N -0.43 1.61 -0.06 6.12 0.00 -0.23 -0.60 121.76 128.17 1u1c s ALA 55 Ca 0.18 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.35 1u1c s ALA 55 Cb -0.14 1.33 0.01 0.00 0.00 0.00 0.00 23.12 24.32 1u1c s ALA 55 CO 0.06 -0.58 -0.15 -2.00 0.00 0.00 0.00 175.76 173.09 1u1c s GLU 56 N -3.86 1.86 -0.16 0.00 2.12 0.97 -0.31 118.70 119.32 1u1c s GLU 56 Ca 0.38 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.17 1u1c s GLU 56 Cb 0.05 -1.54 0.05 0.00 0.26 0.00 0.00 34.13 32.95 1u1c s GLU 56 CO 0.18 0.12 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.83 1u1c s LEU 57 N 0.39 1.40 -1.40 2.70 2.96 0.57 -1.48 118.68 123.82 1u1c s LEU 57 Ca -0.11 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.10 1u1c s LEU 57 Cb -0.14 -0.78 0.03 0.00 0.50 0.00 0.00 46.19 45.80 1u1c s LEU 57 CO 0.04 -0.22 0.80 0.47 -1.32 0.00 0.00 176.35 176.12 1u1c n ASP 58 N 4.95 -2.55 -0.82 3.68 10.43 -1.26 -2.27 116.55 128.71 1u1c n ASP 58 Ca -0.10 -0.81 -0.08 0.00 2.57 0.00 0.00 54.79 56.36 1u1c n ASP 58 Cb 0.48 -3.95 -0.02 0.00 1.84 0.00 0.00 41.12 39.47 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 -1.65 0.40 2.92 0.44 0.00 -1.26 -5.03 105.19 101.01 1u1c n GLY 59 Ca -0.17 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.77 0.08 0.20 1.61 1.02 -0.96 -5.14 119.74 112.77 1u1c s LYS 60 Ca 0.00 0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.93 1u1c s LYS 60 Cb 0.00 -0.09 -0.09 0.00 -0.52 0.00 0.00 37.83 37.13 1u1c s LYS 60 CO 0.00 -0.10 1.32 -1.25 -0.92 0.00 0.00 175.35 174.40 1u1c s PRO 61 N 0.67 4.38 0.05 -1.68 0.04 -1.26 -0.31 135.00 136.88 1u1c s PRO 61 Ca -0.05 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1u1c s PRO 61 Cb -0.07 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1u1c s PRO 61 CO -0.03 -0.27 -0.14 0.08 0.04 0.00 0.00 177.00 176.68 1u1c s VAL 62 N 0.16 1.10 -0.10 -0.36 1.01 0.58 -4.46 120.40 118.32 1u1c s VAL 62 Ca 0.57 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1u1c s VAL 62 Cb -0.37 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1u1c s VAL 62 CO 0.38 -0.05 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1u1c s ILE 63 N -0.94 4.41 -0.21 2.22 -1.09 -0.92 -1.06 121.20 123.60 1u1c s ILE 63 Ca 0.01 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1u1c s ILE 63 Cb -0.08 -2.88 0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1u1c s ILE 63 CO 0.01 0.59 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.46 1u1c s VAL 64 N -0.69 2.15 -0.03 2.92 1.01 -0.31 -0.30 120.40 125.15 1u1c s VAL 64 Ca 0.11 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1u1c s VAL 64 Cb -0.12 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1u1c s VAL 64 CO 0.02 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.49 1u1c s SER 66 N 1.44 7.15 -0.03 0.00 1.04 -0.96 -3.65 113.70 118.70 1u1c s SER 66 Ca -0.04 2.30 0.22 0.00 0.48 0.00 0.00 55.95 58.90 1u1c s SER 66 Cb -0.13 -2.62 -0.32 0.00 0.10 0.00 0.00 66.02 63.05 1u1c s SER 66 CO -0.03 -0.26 0.48 0.35 0.98 0.00 0.00 173.24 174.76 1u1c n THR 67 N 1.63 0.12 0.00 2.02 -2.24 -0.25 -4.44 114.28 111.11 1u1c n THR 67 Ca 0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1u1c n THR 67 Cb 0.44 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.29 -1.17 3.69 3.38 0.00 -0.73 -3.01 105.19 108.64 1u1c n GLY 68 Ca -0.06 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.10 4.85 0.00 -0.61 1.01 -1.26 -4.66 121.20 119.43 1u1c s ILE 69 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.51 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 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1u1c n GLY 70 N 3.18 2.25 0.24 6.18 0.00 -1.20 -4.76 105.19 111.08 1u1c n GLY 70 Ca 0.06 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 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 0.83 0.10 -0.02 0.00 -1.88 -2.96 103.07 99.15 1u1c h GLY 71 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.06 1u1c h GLY 71 CO 0.00 0.31 -0.34 -2.55 0.00 0.00 0.00 176.54 173.96 1u1c h PRO 72 N 0.80 -0.38 0.00 4.80 0.11 -1.95 0.40 132.00 135.77 1u1c h PRO 72 Ca 0.21 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.22 1u1c h PRO 72 Cb -0.08 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1u1c h PRO 72 CO -0.04 -0.26 -0.65 0.66 -0.21 0.00 0.00 178.00 177.50 1u1c h SER 73 N -0.40 0.00 -0.78 -2.05 4.64 -1.80 -2.74 113.55 110.42 1u1c h SER 73 Ca 0.10 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1u1c h SER 73 Cb 0.56 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1u1c h SER 73 CO -0.38 0.65 0.51 0.74 -0.87 0.00 0.00 176.83 177.48 1u1c h THR 74 N 0.00 1.20 -0.26 2.95 2.02 -1.27 -1.26 112.91 116.29 1u1c h THR 74 Ca -0.01 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1u1c h THR 74 Cb 1.21 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1u1c h THR 74 CO 0.08 0.20 -0.14 0.77 0.37 0.00 0.00 175.52 176.80 1u1c h SER 75 N 1.06 0.44 -0.00 4.18 4.64 0.02 -1.39 113.55 122.49 1u1c h SER 75 Ca 0.28 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1u1c h SER 75 Cb -0.11 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1u1c h SER 75 CO -0.06 0.61 -0.00 0.40 -0.87 0.00 0.00 176.83 176.91 1u1c h ILE 76 N 0.42 1.29 -0.29 0.95 2.04 -1.20 -2.71 117.51 117.99 1u1c h ILE 76 Ca 0.08 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1u1c h ILE 76 Cb 0.50 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1u1c h ILE 76 CO 0.03 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.59 1u1c h ALA 77 N 0.64 0.37 -0.24 1.87 0.00 -1.04 -1.83 119.26 119.04 1u1c h ALA 77 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1u1c h ALA 77 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u1c h ALA 77 CO 0.00 -0.14 0.02 0.28 0.00 0.00 0.00 179.25 179.41 1u1c h VAL 78 N 0.39 1.24 -0.42 0.00 2.07 -1.36 -1.81 116.25 116.35 1u1c h VAL 78 Ca 0.11 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1u1c h VAL 78 Cb -0.02 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1u1c h VAL 78 CO -0.02 0.26 0.24 -0.08 0.02 0.00 0.00 177.57 177.99 1u1c h GLU 79 N 0.21 0.59 0.00 1.57 4.57 -1.41 -0.31 114.58 119.79 1u1c h GLU 79 Ca 0.07 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1u1c h GLU 79 Cb 0.36 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1u1c h GLU 79 CO 0.01 0.46 -0.55 0.93 -1.18 0.00 0.00 179.01 178.68 1u1c h GLU 80 N 0.56 0.00 -0.12 1.92 5.08 -1.34 -1.67 114.58 119.01 1u1c h GLU 80 Ca 0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 1u1c h GLU 80 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1u1c h GLU 80 CO -0.03 0.55 -0.71 -0.07 -1.00 0.00 0.00 179.01 177.75 1u1c h LEU 81 N 0.00 0.63 -1.13 1.33 3.38 -1.16 -2.98 115.31 115.38 1u1c h LEU 81 Ca -0.01 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1u1c h LEU 81 Cb 1.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1u1c h LEU 81 CO 0.07 1.15 -0.05 0.00 0.09 0.00 0.00 178.44 179.70 1u1c h ALA 82 N 0.84 1.28 -0.10 1.53 0.00 -0.80 -1.11 119.26 120.90 1u1c h ALA 82 Ca -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1u1c h ALA 82 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1u1c h ALA 82 CO 0.13 0.48 -0.18 1.96 0.00 0.00 0.00 179.25 181.64 1u1c h GLN 83 N 0.51 0.16 -0.01 0.00 4.20 -1.29 -2.78 115.11 115.90 1u1c h GLN 83 Ca 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1u1c h GLN 83 Cb 0.41 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1u1c h GLN 83 CO 0.02 0.34 -0.09 1.28 -0.67 0.00 0.00 178.83 179.71 1u1c n LEU 84 N -4.25 1.29 0.00 1.46 4.77 -0.75 -4.93 117.00 114.59 1u1c n LEU 84 Ca -0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1u1c n LEU 84 Cb 0.29 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1u1c n LEU 84 CO 0.38 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1u1c n GLY 85 N 1.23 1.05 3.70 -0.72 0.00 -0.85 -4.82 105.19 104.79 1u1c n GLY 85 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 4.22 -0.03 -0.61 -1.09 -0.50 -4.46 121.20 116.73 1u1c s ILE 86 Ca 0.00 1.58 0.03 0.00 -2.23 0.00 0.00 60.65 60.03 1u1c s ILE 86 Cb 0.00 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1u1c s ILE 86 CO 0.00 0.08 0.08 0.54 -1.23 0.00 0.00 174.94 174.41 1u1c n ARG 87 N 4.41 1.01 -5.04 2.79 5.12 0.77 -4.21 116.66 121.52 1u1c n ARG 87 Ca 0.09 -0.03 -0.29 0.00 -1.93 0.00 0.00 57.85 55.69 1u1c n ARG 87 Cb 0.47 -1.01 -0.17 0.00 -1.16 0.00 0.00 32.46 30.59 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 -2.09 1.77 -0.09 0.55 2.01 -0.57 -1.63 115.64 115.59 1u1c s THR 88 Ca -0.01 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1u1c s THR 88 Cb 0.02 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 71.01 1u1c s THR 88 CO 0.14 0.50 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.03 1u1c s PHE 89 N 0.28 1.98 -0.26 4.92 0.40 0.11 -1.07 117.98 124.34 1u1c s PHE 89 Ca -0.13 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.39 1u1c s PHE 89 Cb -0.16 -1.39 0.07 0.00 0.51 0.00 0.00 43.02 42.05 1u1c s PHE 89 CO 0.06 -0.38 -0.05 -0.51 0.70 0.00 0.00 175.22 175.03 1u1c s LEU 90 N 0.64 3.13 -0.01 -0.37 1.43 -0.35 -0.79 118.68 122.36 1u1c s LEU 90 Ca -0.14 -1.39 -0.27 0.00 -1.03 0.00 0.00 54.13 51.30 1u1c s LEU 90 Cb -0.16 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1u1c s LEU 90 CO 0.04 -0.24 0.86 -0.60 0.23 0.00 0.00 176.35 176.64 1u1c s ARG 91 N 1.24 4.52 -0.19 1.70 3.52 0.23 -0.62 118.95 129.36 1u1c s ARG 91 Ca -0.04 1.20 -0.02 0.00 -0.13 0.00 0.00 55.73 56.74 1u1c s ARG 91 Cb -0.19 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1u1c s ARG 91 CO -0.07 0.03 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.85 1u1c s ILE 92 N 0.79 3.00 0.28 4.11 1.10 -1.08 -1.15 121.20 128.26 1u1c s ILE 92 Ca 0.46 -0.63 0.03 0.00 -0.51 0.00 0.00 60.65 59.99 1u1c s ILE 92 Cb -0.20 -2.32 -0.04 0.00 0.15 0.00 0.00 42.46 40.05 1u1c s ILE 92 CO 0.24 0.47 0.17 -0.83 -2.11 0.00 0.00 174.94 172.89 1u1c s GLY 93 N 1.15 1.93 0.12 1.50 0.00 -0.32 -3.80 107.32 107.91 1u1c s GLY 93 Ca 0.01 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 42.96 1u1c s GLY 93 CO -0.03 -1.52 0.17 -0.51 0.00 0.00 0.00 173.10 171.21 1u1c s THR 94 N -3.73 4.83 0.10 0.90 -4.23 -1.26 -2.06 115.64 110.19 1u1c s THR 94 Ca 0.38 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 60.02 1u1c s THR 94 Cb 0.05 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1u1c s THR 94 CO 0.18 0.00 0.18 0.28 -0.54 0.00 0.00 174.62 174.72 1u1c s THR 95 N -1.61 0.13 -0.27 3.99 -1.32 -1.01 -4.80 115.64 110.75 1u1c s THR 95 Ca 0.32 -1.33 -0.01 0.00 -1.21 0.00 0.00 61.69 59.46 1u1c s THR 95 Cb -0.11 -1.51 0.04 0.00 -1.51 0.00 0.00 72.50 69.40 1u1c s THR 95 CO 0.25 -0.59 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.19 1u1c s GLY 96 N -2.90 1.68 0.39 6.08 0.00 -0.84 -2.73 107.32 109.00 1u1c s GLY 96 Ca 0.09 -1.61 -0.24 0.00 0.00 0.00 0.00 44.72 42.96 1u1c s GLY 96 CO -0.08 0.60 1.04 0.00 0.00 0.00 0.00 173.10 174.66 1u1c s ALA 97 N 1.27 3.10 0.00 3.20 0.00 -0.34 -0.57 121.76 128.42 1u1c s ALA 97 Ca -0.03 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1u1c s ALA 97 Cb -0.18 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1u1c s ALA 97 CO -0.03 -0.17 0.74 0.44 0.00 0.00 0.00 175.76 176.74 1u1c n ILE 98 N -0.01 0.51 -4.17 0.00 -5.35 -0.33 -0.88 119.36 109.13 1u1c n ILE 98 Ca 0.05 -0.73 -0.35 0.00 -0.27 0.00 0.00 62.75 61.45 1u1c n ILE 98 Cb 0.50 0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 39.07 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 -0.51 3.56 0.50 6.28 -1.52 -1.24 -4.83 119.66 121.90 1u1c s GLN 99 Ca 0.00 -0.36 0.16 0.00 -1.95 0.00 0.00 55.36 53.21 1u1c s GLN 99 Cb 0.00 -3.03 1.21 0.00 -0.22 0.00 0.00 33.01 30.96 1u1c s GLN 99 CO 0.00 0.46 2.10 -1.35 -0.25 0.00 0.00 175.29 176.25 1u1c h PRO 100 N 6.01 0.00 0.00 2.91 0.11 -1.96 -2.67 132.00 136.40 1u1c h PRO 100 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1u1c h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1c h PRO 100 CO 0.63 0.06 -0.00 -2.39 -0.21 0.00 0.00 178.00 176.09 1u1c n HIS 101 N -4.42 0.86 -3.34 0.65 1.44 -1.26 -4.71 115.22 104.43 1u1c n HIS 101 Ca -0.03 0.25 -0.38 0.00 -2.01 0.00 0.00 57.72 55.55 1u1c n HIS 101 Cb 0.15 -0.91 -0.06 0.00 0.12 0.00 0.00 29.99 29.29 1u1c n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1c s ILE 102 N -3.09 5.10 0.31 0.61 1.01 -1.01 -5.09 121.20 119.04 1u1c s ILE 102 Ca 0.11 0.97 0.08 0.00 0.00 0.00 0.00 60.65 61.81 1u1c s ILE 102 Cb 0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1u1c s ILE 102 CO 0.59 0.40 0.15 0.20 0.00 0.00 0.00 174.94 176.28 1u1c s ASN 103 N 0.09 4.87 0.02 3.58 0.02 -1.26 -4.84 114.94 117.42 1u1c s ASN 103 Ca 0.26 -0.64 -0.30 0.00 -1.02 0.00 0.00 52.86 51.16 1u1c s ASN 103 Cb -0.16 -0.88 -0.07 0.00 0.02 0.00 0.00 41.25 40.17 1u1c s ASN 103 CO 0.12 -0.22 1.53 -0.69 0.02 0.00 0.00 177.10 177.86 1u1c s VAL 104 N -2.35 3.41 0.00 1.60 1.01 -1.26 -2.39 120.40 120.42 1u1c s VAL 104 Ca 0.36 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1u1c s VAL 104 Cb -0.04 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1u1c s VAL 104 CO 0.23 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1u1c n GLY 105 N 3.84 1.46 3.82 4.51 0.00 0.91 -5.01 105.19 114.72 1u1c n GLY 105 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.88 6.21 -0.13 1.61 1.01 -1.00 -4.75 116.67 117.73 1u1c s ASP 106 Ca 0.00 1.69 -0.04 0.00 0.71 0.00 0.00 52.55 54.91 1u1c s ASP 106 Cb 0.00 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1u1c s ASP 106 CO 0.00 -0.87 0.01 0.54 0.21 0.00 0.00 175.17 175.06 1u1c s VAL 107 N -2.55 4.39 -0.12 -1.27 0.11 -0.89 -0.69 120.40 119.37 1u1c s VAL 107 Ca 0.61 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 1u1c s VAL 107 Cb -0.13 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1u1c s VAL 107 CO 0.34 0.53 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.67 1u1c s LEU 108 N -0.18 2.17 -0.20 2.54 1.43 0.41 -2.03 118.68 122.82 1u1c s LEU 108 Ca 0.05 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 1u1c s LEU 108 Cb -0.12 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1u1c s LEU 108 CO 0.02 0.12 0.06 -0.69 0.23 0.00 0.00 176.35 176.09 1u1c s VAL 109 N 0.57 4.66 -0.23 -1.59 1.01 -0.44 -1.66 120.40 122.72 1u1c s VAL 109 Ca -0.13 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1u1c s VAL 109 Cb -0.17 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1u1c s VAL 109 CO 0.04 0.43 0.43 -0.89 0.00 0.00 0.00 175.10 175.10 1u1c s THR 110 N 0.68 5.16 0.01 3.92 2.01 -0.75 -2.12 115.64 124.55 1u1c s THR 110 Ca 0.03 0.73 -0.17 0.00 0.31 0.00 0.00 61.69 62.60 1u1c s THR 110 Cb -0.13 -3.75 -0.35 0.00 0.01 0.00 0.00 72.50 68.28 1u1c s THR 110 CO 0.02 0.19 0.94 0.71 -0.69 0.00 0.00 174.62 175.79 1u1c h THR 111 N 5.19 1.29 -2.61 -0.82 1.35 -1.50 -3.41 112.91 112.40 1u1c h THR 111 Ca -0.34 -2.65 0.06 0.00 -0.55 0.00 0.00 66.41 62.94 1u1c h THR 111 Cb 1.16 3.05 -0.13 0.00 -1.73 0.00 0.00 68.15 70.49 1u1c h THR 111 CO 0.70 0.80 0.37 0.00 -0.25 0.00 0.00 175.52 177.13 1u1c s ALA 112 N -2.56 -1.70 0.04 6.62 0.00 -1.26 -0.90 121.76 122.01 1u1c s ALA 112 Ca -0.11 0.69 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1u1c s ALA 112 Cb 0.04 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1u1c s ALA 112 CO 0.92 -0.76 -0.23 -1.12 0.00 0.00 0.00 175.76 174.56 1u1c s SER 113 N -2.64 3.40 -0.06 0.00 0.01 -0.14 -2.29 113.70 111.98 1u1c s SER 113 Ca 0.04 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1u1c s SER 113 Cb -0.01 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 1u1c s SER 113 CO -0.09 0.26 1.26 -0.69 0.41 0.00 0.00 173.24 174.39 1u1c s VAL 114 N -0.85 4.13 -1.18 3.43 1.01 0.11 -4.34 120.40 122.71 1u1c s VAL 114 Ca 0.13 1.45 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 1u1c s VAL 114 Cb -0.10 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.49 1u1c s VAL 114 CO 0.03 -0.03 1.45 -0.13 0.00 0.00 0.00 175.10 176.42 1u1c s ARG 115 N 2.51 3.98 -0.56 2.72 0.52 -1.26 -1.68 118.95 125.18 1u1c s ARG 115 Ca 0.58 -2.30 -0.00 0.00 -0.52 0.00 0.00 55.73 53.49 1u1c s ARG 115 Cb -0.26 -5.14 0.48 0.00 0.52 0.00 0.00 34.95 30.54 1u1c s ARG 115 CO 0.22 -1.88 1.99 1.28 0.02 0.00 0.00 175.30 176.93 1u1c n LEU 116 N 6.42 7.25 -4.49 2.53 4.77 -0.81 -4.94 117.00 127.72 1u1c n LEU 116 Ca 0.37 -3.96 -0.23 0.00 -0.03 0.00 0.00 56.01 52.16 1u1c n LEU 116 Cb 0.45 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1u1c n LEU 116 CO 0.63 1.32 -0.30 1.51 -1.33 0.00 0.00 177.39 179.22 1u1c s ASP 117 N -1.44 2.89 -0.20 -1.43 -4.77 -1.23 -0.87 116.67 109.62 1u1c s ASP 117 Ca 0.58 -1.33 0.07 0.00 -3.30 0.00 0.00 52.55 48.58 1u1c s ASP 117 Cb 0.47 -0.19 -0.17 0.00 -1.09 0.00 0.00 42.92 41.93 1u1c s ASP 117 CO 0.02 -0.49 -0.10 0.61 0.70 0.00 0.00 175.17 175.91 1u1c n GLY 118 N -0.74 -0.52 0.28 2.12 0.00 -1.26 -4.65 105.19 100.42 1u1c n GLY 118 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 0.33 1.35 -0.15 4.61 0.00 -1.98 -2.58 119.26 120.84 1u1c h ALA 119 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1u1c h ALA 119 Cb 1.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1u1c h ALA 119 CO -0.04 0.45 0.10 0.66 0.00 0.00 0.00 179.25 180.42 1u1c h SER 120 N 0.58 0.16 0.73 0.00 4.64 -1.86 -0.40 113.55 117.39 1u1c h SER 120 Ca 0.13 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1u1c h SER 120 Cb 0.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1u1c h SER 120 CO 0.00 0.11 0.00 -0.07 -0.87 0.00 0.00 176.83 176.01 1u1c h LEU 121 N 0.18 0.00 -0.00 5.97 3.38 -1.57 -1.71 115.31 121.56 1u1c h LEU 121 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u1c h LEU 121 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1u1c h LEU 121 CO -0.01 0.00 -0.00 1.41 0.09 0.00 0.00 178.44 179.93 1u1c n HIS 122 N -2.97 0.00 -0.01 1.13 8.25 -0.16 -3.83 115.22 117.63 1u1c n HIS 122 Ca -0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1u1c n HIS 122 Cb 0.24 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.27 0.00 -3.60 4.41 3.01 -0.79 -5.08 117.46 114.14 1u1c n PHE 123 Ca 0.15 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.45 1u1c n PHE 123 Cb 0.23 -0.11 -0.07 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 -2.05 -1.64 0.76 4.37 0.00 -0.71 -5.01 121.76 117.48 1u1c s ALA 124 Ca -0.01 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 1u1c s ALA 124 Cb 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1u1c s ALA 124 CO 0.09 -0.33 1.19 -1.25 0.00 0.00 0.00 175.76 175.45 1u1c s PRO 125 N -0.43 1.95 0.52 0.00 0.04 -1.26 -3.90 135.00 131.93 1u1c s PRO 125 Ca -0.06 1.69 0.32 0.00 0.04 0.00 0.00 61.00 62.99 1u1c s PRO 125 Cb -0.03 -1.82 1.47 0.00 0.04 0.00 0.00 34.50 34.16 1u1c s PRO 125 CO 0.05 -1.96 1.84 1.25 0.04 0.00 0.00 177.00 178.22 1u1c h LEU 126 N -0.62 0.06 -1.73 -3.56 5.85 -1.93 -0.44 115.31 112.94 1u1c h LEU 126 Ca -0.47 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1u1c h LEU 126 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1u1c h LEU 126 CO 0.48 0.01 -0.12 1.05 -0.34 0.00 0.00 178.44 179.53 1u1c h GLU 127 N 0.05 0.00 -6.59 1.25 9.09 -2.03 -3.43 114.58 112.92 1u1c h GLU 127 Ca 0.51 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.39 1u1c h GLU 127 Cb 1.93 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 29.05 1u1c h GLU 127 CO -0.04 0.12 0.65 0.12 0.05 0.00 0.00 179.01 179.91 1u1c s PHE 128 N -3.97 3.30 0.10 2.06 2.19 -0.17 -4.99 117.98 116.50 1u1c s PHE 128 Ca -0.02 1.16 -0.30 0.00 0.33 0.00 0.00 56.93 58.10 1u1c s PHE 128 Cb 0.12 -3.58 -0.06 0.00 -1.31 0.00 0.00 43.02 38.19 1u1c s PHE 128 CO 0.58 -1.89 1.13 -1.25 1.83 0.00 0.00 175.22 175.62 1u1c s PRO 129 N 0.55 4.52 -1.37 10.12 0.04 -1.26 -4.93 135.00 142.66 1u1c s PRO 129 Ca 0.60 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 63.19 1u1c s PRO 129 Cb -0.35 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 1u1c s PRO 129 CO 0.33 -0.09 2.28 0.00 0.04 0.00 0.00 177.00 179.56 1u1c n ALA 130 N 3.25 5.46 -2.83 8.56 0.00 -1.26 -4.74 120.51 128.95 1u1c n ALA 130 Ca 0.06 -3.70 -0.37 0.00 0.00 0.00 0.00 53.44 49.43 1u1c n ALA 130 Cb 0.47 -3.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 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 3.34 5.44 0.54 0.00 0.11 -1.26 -0.97 120.40 127.60 1u1c s VAL 131 Ca 0.51 0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.66 1u1c s VAL 131 Cb 0.14 -3.45 -0.07 0.00 -1.53 0.00 0.00 36.38 31.48 1u1c s VAL 131 CO -0.05 0.59 1.00 0.00 -3.33 0.00 0.00 175.10 173.31 1u1c s ALA 132 N -1.06 3.02 0.32 1.54 0.00 -0.08 -4.67 121.76 120.83 1u1c s ALA 132 Ca 0.17 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1u1c s ALA 132 Cb -0.13 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1u1c s ALA 132 CO 0.06 -0.38 1.33 0.34 0.00 0.00 0.00 175.76 177.11 1u1c s ASP 133 N -3.15 6.75 0.19 0.00 2.15 0.29 -4.93 116.67 117.96 1u1c s ASP 133 Ca 0.59 2.70 -0.09 0.00 0.43 0.00 0.00 52.55 56.18 1u1c s ASP 133 Cb -0.11 -2.65 0.11 0.00 -0.30 0.00 0.00 42.92 39.97 1u1c s ASP 133 CO 0.35 -0.57 1.71 0.15 -0.17 0.00 0.00 175.17 176.65 1u1c h PHE 134 N 3.58 1.14 -0.36 -5.34 3.04 -1.96 -1.19 116.94 115.85 1u1c h PHE 134 Ca -0.49 -0.13 -0.13 0.00 3.98 0.00 0.00 57.97 61.20 1u1c h PHE 134 Cb 1.23 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1u1c h PHE 134 CO 0.56 0.92 -0.31 0.93 -2.02 0.00 0.00 178.31 178.39 1u1c h GLU 135 N 1.02 0.78 -0.40 1.11 5.08 -1.96 -0.74 114.58 119.48 1u1c h GLU 135 Ca 0.22 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1u1c h GLU 135 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1u1c h GLU 135 CO -0.00 0.99 -0.22 0.00 -1.00 0.00 0.00 179.01 178.78 1u1c h THR 137 N 0.67 1.25 -0.30 0.00 2.02 -1.17 -2.09 112.91 113.30 1u1c h THR 137 Ca 0.09 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.33 1u1c h THR 137 Cb 0.78 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1u1c h THR 137 CO 0.06 0.34 0.07 0.74 0.37 0.00 0.00 175.52 177.11 1u1c h THR 138 N 0.68 0.88 -0.70 3.16 2.02 -1.07 -1.93 112.91 115.95 1u1c h THR 138 Ca 0.14 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1u1c h THR 138 Cb 0.43 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1u1c h THR 138 CO 0.01 0.03 0.33 0.00 0.37 0.00 0.00 175.52 176.27 1u1c h ALA 139 N 1.21 0.90 -0.36 6.16 0.00 -1.18 -0.42 119.26 125.56 1u1c h ALA 139 Ca 0.14 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1u1c h ALA 139 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u1c h ALA 139 CO -0.17 0.47 -0.30 -0.07 0.00 0.00 0.00 179.25 179.18 1u1c h LEU 140 N 0.97 0.81 -0.32 0.00 3.38 -1.22 0.64 115.31 119.58 1u1c h LEU 140 Ca 0.24 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1u1c h LEU 140 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1u1c h LEU 140 CO -0.03 1.05 -0.32 0.58 0.09 0.00 0.00 178.44 179.81 1u1c h VAL 141 N 0.66 1.29 -0.29 1.22 2.07 -1.21 -2.24 116.25 117.75 1u1c h VAL 141 Ca 0.08 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 1u1c h VAL 141 Cb 0.83 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1u1c h VAL 141 CO 0.07 0.48 -0.24 -0.33 0.02 0.00 0.00 177.57 177.57 1u1c h GLU 142 N 0.54 0.56 -0.25 1.57 3.07 -0.94 -1.46 114.58 117.67 1u1c h GLU 142 Ca 0.05 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.56 1u1c h GLU 142 Cb 0.90 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1u1c h GLU 142 CO 0.08 0.76 -0.42 0.00 -1.40 0.00 0.00 179.01 178.03 1u1c h ALA 143 N 1.25 0.81 -0.30 3.43 0.00 -0.87 -0.85 119.26 122.72 1u1c h ALA 143 Ca 0.07 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1u1c h ALA 143 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u1c h ALA 143 CO 0.05 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.69 1u1c h ALA 144 N 1.05 0.99 -0.05 0.00 0.00 -1.19 -2.23 119.26 117.84 1u1c h ALA 144 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1u1c h ALA 144 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1u1c h ALA 144 CO 0.08 0.60 -0.52 0.87 0.00 0.00 0.00 179.25 180.28 1u1c h LYS 145 N 0.52 0.13 0.04 0.00 1.57 -1.12 -2.01 116.57 115.68 1u1c h LYS 145 Ca 0.07 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u1c h LYS 145 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1u1c h LYS 145 CO 0.06 0.62 -0.02 1.03 -0.57 0.00 0.00 179.45 180.57 1u1c h SER 146 N 0.10 -0.04 1.06 0.86 0.87 -0.82 -3.26 113.55 112.31 1u1c h SER 146 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1u1c h SER 146 Cb 0.95 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1u1c h SER 146 CO 0.07 0.42 -0.30 2.30 -0.53 0.00 0.00 176.83 178.80 1u1c n ILE 147 N -4.89 0.34 -1.73 2.23 -6.64 -0.87 -5.02 119.36 102.79 1u1c n ILE 147 Ca -0.08 -0.20 -0.01 0.00 -1.77 0.00 0.00 62.75 60.69 1u1c n ILE 147 Cb 0.25 -0.30 -0.00 0.00 -1.44 0.00 0.00 39.64 38.14 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 1.37 -3.25 3.30 3.28 0.00 -0.78 -5.10 105.19 104.02 1u1c n GLY 148 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.24 -1.01 -0.28 4.61 0.00 -1.08 -5.04 121.76 118.71 1u1c s ALA 149 Ca -0.03 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 1u1c s ALA 149 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1u1c s ALA 149 CO 0.16 -0.28 1.91 0.99 0.00 0.00 0.00 175.76 178.54 1u1c s THR 150 N -1.17 3.35 -0.03 0.00 2.01 -1.26 -4.81 115.64 113.72 1u1c s THR 150 Ca -0.12 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.30 1u1c s THR 150 Cb -0.04 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1u1c s THR 150 CO 0.05 -0.28 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.59 1u1c s THR 151 N 7.12 2.37 -0.06 -0.82 2.01 -1.26 -2.10 115.64 122.90 1u1c s THR 151 Ca 0.86 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1u1c s THR 151 Cb -0.26 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1u1c s THR 151 CO 0.34 0.58 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.67 1u1c s HIS 152 N -0.63 1.93 -0.14 4.92 3.76 -0.86 -5.01 115.29 119.25 1u1c s HIS 152 Ca 0.10 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1u1c s HIS 152 Cb -0.10 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.27 1u1c s HIS 152 CO -0.00 -0.23 -0.13 0.08 -0.85 0.00 0.00 174.74 173.60 1u1c s VAL 153 N 0.15 2.95 -1.38 -0.90 1.01 -1.26 -1.32 120.40 119.64 1u1c s VAL 153 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1u1c s VAL 153 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1u1c s VAL 153 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1c n GLY 154 N 3.78 -0.73 3.84 4.51 0.00 -0.90 -4.99 105.19 110.70 1u1c n GLY 154 Ca -0.18 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.00 5.24 -0.08 1.61 1.01 -1.26 -1.19 120.40 121.73 1u1c s VAL 155 Ca 0.00 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1u1c s VAL 155 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1u1c s VAL 155 CO 0.00 0.58 -0.17 -0.89 0.00 0.00 0.00 175.10 174.61 1u1c s THR 156 N -0.91 2.74 -0.31 3.92 2.01 -0.97 -0.63 115.64 121.50 1u1c s THR 156 Ca 0.20 -0.81 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 1u1c s THR 156 Cb -0.15 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1u1c s THR 156 CO 0.09 0.56 0.79 0.00 -0.69 0.00 0.00 174.62 175.37 1u1c s ALA 157 N -0.15 3.53 -0.42 7.40 0.00 -0.18 0.05 121.76 131.98 1u1c s ALA 157 Ca -0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 1u1c s ALA 157 Cb -0.14 -3.30 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1u1c s ALA 157 CO 0.04 -1.20 0.26 0.45 0.00 0.00 0.00 175.76 175.31 1u1c s SER 158 N 1.62 5.57 0.02 0.00 0.15 -0.68 -2.01 113.70 118.37 1u1c s SER 158 Ca 0.32 -1.65 -0.07 0.00 0.70 0.00 0.00 55.95 55.26 1u1c s SER 158 Cb -0.14 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 1u1c s SER 158 CO 0.12 -0.56 0.28 -0.55 1.20 0.00 0.00 173.24 173.73 1u1c s SER 159 N 2.17 6.50 0.00 5.45 0.15 0.06 -1.93 113.70 126.10 1u1c s SER 159 Ca 0.04 0.57 0.21 0.00 0.70 0.00 0.00 55.95 57.47 1u1c s SER 159 Cb -0.24 -2.09 1.25 0.00 -1.71 0.00 0.00 66.02 63.24 1u1c s SER 159 CO 0.01 0.24 1.75 0.47 1.20 0.00 0.00 173.24 176.90 1u1c n ASP 160 N 1.04 0.00 -3.80 5.45 9.92 -0.05 -4.34 116.55 124.76 1u1c n ASP 160 Ca -0.10 -1.15 -0.12 0.00 -0.53 0.00 0.00 54.79 52.89 1u1c n ASP 160 Cb 0.53 0.00 -0.08 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 0.08 0.01 -3.53 -1.32 -1.26 -5.01 115.64 102.61 1u1c s THR 161 Ca 0.32 -0.69 0.04 0.00 -1.21 0.00 0.00 61.69 60.14 1u1c s THR 161 Cb 0.14 -0.76 -0.25 0.00 -1.51 0.00 0.00 72.50 70.13 1u1c s THR 161 CO 0.24 -0.38 0.87 0.15 -2.21 0.00 0.00 174.62 173.29 1u1c h PHE 162 N 3.64 0.22 0.00 9.09 3.57 -1.97 -3.40 116.94 128.10 1u1c h PHE 162 Ca -0.31 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.03 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 0.51 1.21 0.00 0.66 -2.23 0.00 0.00 178.31 178.46 1u1c n TYR 163 N -3.31 0.00 -0.06 0.41 4.02 -1.26 -4.33 117.16 112.63 1u1c n TYR 163 Ca -0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.75 1u1c n TYR 163 Cb 1.02 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.61 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 0.65 0.00 -0.72 0.13 -1.89 0.51 132.00 130.68 1u1c h PRO 164 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1u1c h PRO 164 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1u1c h PRO 164 CO 0.00 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1u1c n GLY 165 N -0.95 -1.24 0.64 1.56 0.00 -1.26 -1.44 105.19 102.50 1u1c n GLY 165 Ca 0.03 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.01 2.55 -3.97 1.61 6.02 -0.69 -4.91 117.38 115.97 1u1c n GLN 166 Ca 0.03 -2.63 -0.26 0.00 -0.01 0.00 0.00 57.00 54.13 1u1c n GLN 166 Cb 0.23 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 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 -0.60 -3.18 -3.25 -1.09 2.13 -0.52 -4.93 120.64 109.20 1u1c n GLU 167 Ca 0.18 0.39 -0.39 0.00 0.66 0.00 0.00 57.16 58.00 1u1c n GLU 167 Cb 0.75 -4.48 -0.06 0.00 0.27 0.00 0.00 31.44 27.92 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 -6.59 4.29 0.00 5.31 0.52 0.09 -4.95 118.95 117.61 1u1c s ARG 168 Ca 0.00 0.49 0.16 0.00 -0.52 0.00 0.00 55.73 55.87 1u1c s ARG 168 Cb -0.00 -3.49 -0.10 0.00 0.52 0.00 0.00 34.95 31.88 1u1c s ARG 168 CO 0.89 0.02 0.76 0.66 0.02 0.00 0.00 175.30 177.66 1u1c n TYR 169 N 4.14 0.00 -1.33 -0.53 4.02 -1.26 -4.34 117.16 117.86 1u1c n TYR 169 Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.45 1u1c n TYR 169 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.83 7.96 -3.17 7.72 5.75 -1.26 -4.38 116.55 128.35 1u1c n ASP 170 Ca 0.05 -2.59 -0.17 0.00 -0.01 0.00 0.00 54.79 52.07 1u1c n ASP 170 Cb 0.29 -1.55 -0.04 0.00 -1.03 0.00 0.00 41.12 38.80 1u1c n ASP 170 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1u1c n THR 171 N 3.81 0.00 0.04 2.12 -2.24 -1.26 -5.03 114.28 111.71 1u1c n THR 171 Ca 0.74 -1.42 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 1u1c n THR 171 Cb 0.25 0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 1u1c n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1c h TYR 172 N 1.31 -0.10 0.05 4.78 5.03 -1.98 -3.29 116.97 122.76 1u1c h TYR 172 Ca -0.21 -0.00 -0.24 0.00 2.58 0.00 0.00 58.73 60.86 1u1c h TYR 172 Cb 0.74 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 1u1c h TYR 172 CO 0.00 0.28 -1.04 0.66 -1.32 0.00 0.00 178.16 176.75 1u1c h SER 173 N -0.50 0.43 -0.05 -2.11 4.64 -1.98 -3.47 113.55 110.52 1u1c h SER 173 Ca -0.01 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1u1c h SER 173 Cb 0.42 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1u1c h SER 173 CO 0.02 1.22 -0.02 0.61 -0.87 0.00 0.00 176.83 177.79 1u1c n GLY 174 N 1.14 0.48 3.36 -0.77 0.00 -1.24 -5.03 105.19 103.14 1u1c n GLY 174 Ca -0.07 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.86 1.34 -0.06 1.61 1.70 -1.26 -4.92 118.95 116.50 1u1c s ARG 175 Ca 0.00 -1.34 0.05 0.00 -0.47 0.00 0.00 55.73 53.97 1u1c s ARG 175 Cb 0.00 -1.70 -0.01 0.00 -0.57 0.00 0.00 34.95 32.68 1u1c s ARG 175 CO 0.00 0.39 -0.22 0.08 -1.08 0.00 0.00 175.30 174.47 1u1c s VAL 176 N -1.30 1.85 0.50 4.99 1.01 -1.26 -4.93 120.40 121.25 1u1c s VAL 176 Ca 0.13 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1u1c s VAL 176 Cb -0.09 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 1u1c s VAL 176 CO 0.06 0.52 1.20 0.55 0.00 0.00 0.00 175.10 177.43 1u1c n VAL 177 N 3.15 3.16 -0.32 2.92 3.14 -1.26 -4.71 118.33 124.42 1u1c n VAL 177 Ca -0.18 -0.50 0.17 0.00 -2.96 0.00 0.00 64.34 60.87 1u1c n VAL 177 Cb 0.52 -1.46 0.36 0.00 -1.06 0.00 0.00 33.84 32.20 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 1.49 0.14 -0.64 1.45 2.43 -2.00 -0.40 114.38 116.85 1u1c h ARG 178 Ca -0.48 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1u1c h ARG 178 Cb 1.32 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 1u1c h ARG 178 CO 0.57 0.09 0.43 1.25 -1.51 0.00 0.00 179.97 180.80 1u1c h HIS 179 N 0.14 0.53 -0.29 2.20 2.76 -2.02 -2.44 115.15 116.03 1u1c h HIS 179 Ca 0.63 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.81 1u1c h HIS 179 Cb 1.38 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1u1c h HIS 179 CO -0.25 0.26 0.00 1.19 -1.30 0.00 0.00 177.93 177.83 1u1c n PHE 180 N -4.48 0.37 -2.14 5.26 3.01 -0.18 -4.83 117.46 114.48 1u1c n PHE 180 Ca 0.10 -0.24 -0.43 0.00 1.01 0.00 0.00 57.45 57.90 1u1c n PHE 180 Cb 0.34 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.29 4.16 -0.70 -1.08 -0.14 -0.92 -2.31 119.74 117.45 1u1c s LYS 181 Ca 0.30 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 56.90 1u1c s LYS 181 Cb 0.18 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 1u1c s LYS 181 CO 0.25 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.40 1u1c n GLY 182 N 4.03 0.88 0.19 -3.33 0.00 -1.26 -4.94 105.19 100.76 1u1c n GLY 182 Ca 0.16 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 0.68 -0.63 1.61 4.64 -1.78 -2.95 113.55 115.12 1u1c h SER 183 Ca -0.14 -0.49 0.01 0.00 -0.47 0.00 0.00 61.79 60.71 1u1c h SER 183 Cb 0.49 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1u1c h SER 183 CO 0.20 1.27 0.41 -0.03 -0.87 0.00 0.00 176.83 177.80 1u1c h MET 184 N 0.35 0.79 -0.48 4.77 -1.53 -1.92 -1.00 114.93 115.92 1u1c h MET 184 Ca -0.06 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.11 1u1c h MET 184 Cb 1.46 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 32.31 1u1c h MET 184 CO 0.16 0.52 0.15 1.49 0.14 0.00 0.00 176.91 179.37 1u1c h GLU 185 N 0.82 0.70 0.01 0.39 4.81 -1.97 -0.83 114.58 118.50 1u1c h GLU 185 Ca 0.24 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1u1c h GLU 185 Cb -0.05 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1u1c h GLU 185 CO -0.07 0.62 -0.00 0.93 -0.73 0.00 0.00 179.01 179.75 1u1c h GLU 186 N 0.69 -0.01 -0.70 1.92 4.39 -1.18 -2.14 114.58 117.56 1u1c h GLU 186 Ca 0.16 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1u1c h GLU 186 Cb 0.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1u1c h GLU 186 CO -0.01 0.19 0.29 -1.49 -1.16 0.00 0.00 179.01 176.84 1u1c h TRP 187 N -0.21 1.04 -0.22 4.33 -0.00 -1.08 -2.32 115.95 117.49 1u1c h TRP 187 Ca -0.00 -0.06 0.02 0.00 -0.00 0.00 0.00 58.89 58.84 1u1c h TRP 187 Cb 0.21 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.03 1u1c h TRP 187 CO -0.01 0.79 0.09 1.96 -0.00 0.00 0.00 178.44 181.27 1u1c h GLN 188 N 1.01 0.20 0.00 0.49 4.20 -1.06 -0.97 115.11 118.99 1u1c h GLN 188 Ca 0.24 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1u1c h GLN 188 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1u1c h GLN 188 CO -0.02 0.13 -0.20 0.00 -0.67 0.00 0.00 178.83 178.07 1u1c h ALA 189 N 1.12 1.25 -0.01 3.87 0.00 -1.28 -2.48 119.26 121.74 1u1c h ALA 189 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u1c h ALA 189 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u1c h ALA 189 CO -0.08 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.09 1u1c n MET 190 N -3.69 1.30 -0.93 0.00 2.81 -0.79 -4.92 117.12 110.90 1u1c n MET 190 Ca -0.01 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.45 1u1c n MET 190 Cb 0.32 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.08 0.50 3.71 3.03 0.00 -0.91 -5.02 105.19 107.59 1u1c n GLY 191 Ca 0.22 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 2.76 0.04 1.61 1.01 -0.44 -4.58 120.40 118.80 1u1c s VAL 192 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 1u1c s VAL 192 Cb 0.00 -3.33 -0.19 0.00 0.00 0.00 0.00 36.38 32.86 1u1c s VAL 192 CO 0.00 0.03 1.20 0.24 0.00 0.00 0.00 175.10 176.58 1u1c h MET 193 N 7.01 0.53 -2.73 2.72 0.00 -1.20 -3.42 114.93 117.83 1u1c h MET 193 Ca -0.42 -0.47 0.11 0.00 0.00 0.00 0.00 59.70 58.92 1u1c h MET 193 Cb 1.20 0.11 -0.06 0.00 0.00 0.00 0.00 31.60 32.85 1u1c h MET 193 CO 0.91 1.10 0.33 0.54 0.00 0.00 0.00 176.91 179.79 1u1c s ASN 194 N -6.76 -0.22 -0.10 1.22 6.03 -1.26 -1.19 114.94 112.66 1u1c s ASN 194 Ca -0.12 -0.54 0.01 0.00 -1.03 0.00 0.00 52.86 51.18 1u1c s ASN 194 Cb 0.05 0.63 -0.02 0.00 -3.03 0.00 0.00 41.25 38.89 1u1c s ASN 194 CO 0.84 -1.17 -0.13 -0.31 -2.03 0.00 0.00 177.10 174.30 1u1c s TYR 195 N -3.64 2.79 0.00 1.54 4.12 0.27 -1.02 117.35 121.41 1u1c s TYR 195 Ca 0.12 -0.39 0.00 0.00 0.02 0.00 0.00 57.07 56.81 1u1c s TYR 195 Cb -0.04 -1.76 0.00 0.00 -1.52 0.00 0.00 41.96 38.64 1u1c s TYR 195 CO 0.05 -0.01 0.00 -0.85 0.02 0.00 0.00 175.55 174.76 1u1c n GLU 196 N 2.96 0.00 0.00 -0.62 -0.00 -0.85 -1.99 120.64 120.14 1u1c n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 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 1.00 0.00 3.44 2.81 -1.26 -0.76 117.12 122.35 1u1c n MET 197 Ca 0.00 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 1u1c n MET 197 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.17 4.05 -0.14 0.03 4.71 -1.26 -3.26 120.64 124.61 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 0.39 -0.63 -0.01 0.00 -1.01 0.00 0.00 31.44 30.18 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 0.64 -0.73 1.62 4.64 -1.94 -2.73 113.55 115.05 1u1c h SER 199 Ca 0.00 -0.26 0.09 0.00 -0.47 0.00 0.00 61.79 61.15 1u1c h SER 199 Cb 0.00 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 61.85 1u1c h SER 199 CO 0.00 0.73 0.38 0.00 -0.87 0.00 0.00 176.83 177.07 1u1c h ALA 200 N 0.93 1.00 0.00 5.18 0.00 -1.88 0.21 119.26 124.71 1u1c h ALA 200 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u1c h ALA 200 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u1c h ALA 200 CO 0.01 -0.01 -0.00 1.15 0.00 0.00 0.00 179.25 180.40 1u1c h THR 201 N 0.65 1.32 -0.01 0.00 2.02 -1.92 -2.53 112.91 112.44 1u1c h THR 201 Ca 0.35 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1u1c h THR 201 Cb 0.34 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1u1c h THR 201 CO -0.25 0.25 0.01 0.25 0.37 0.00 0.00 175.52 176.14 1u1c h LEU 202 N -0.41 0.02 -0.79 2.58 5.85 -1.16 -1.74 115.31 119.66 1u1c h LEU 202 Ca -0.00 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1u1c h LEU 202 Cb 0.41 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1u1c h LEU 202 CO 0.00 0.08 0.16 -0.07 -0.34 0.00 0.00 178.44 178.27 1u1c h LEU 203 N -0.05 1.02 0.12 2.25 3.38 -0.68 -2.23 115.31 119.12 1u1c h LEU 203 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1u1c h LEU 203 Cb 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1u1c h LEU 203 CO -0.00 0.98 -0.06 0.74 0.09 0.00 0.00 178.44 180.19 1u1c h THR 204 N 1.02 1.06 0.00 0.22 2.02 -1.40 -1.97 112.91 113.86 1u1c h THR 204 Ca 0.21 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1u1c h THR 204 Cb 0.36 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1u1c h THR 204 CO 0.00 0.20 -0.18 0.00 0.37 0.00 0.00 175.52 175.91 1u1c h MET 205 N -0.57 0.00 0.08 6.66 -0.00 -1.30 -1.50 114.93 118.30 1u1c h MET 205 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.54 1u1c h MET 205 Cb 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.06 1u1c h MET 205 CO 0.03 0.18 -0.66 0.00 -0.00 0.00 0.00 176.91 176.46 1u1c h ALA 207 N -0.01 1.14 -0.45 0.00 0.00 -1.20 0.16 119.26 118.90 1u1c h ALA 207 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u1c h ALA 207 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1u1c h ALA 207 CO 0.06 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 1u1c n SER 208 N -3.43 3.49 -0.09 0.00 3.41 -0.58 -4.32 113.62 112.10 1u1c n SER 208 Ca -0.01 -1.97 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 1u1c n SER 208 Cb 0.28 -0.29 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.43 0.69 -1.68 4.33 6.02 -1.01 -5.02 117.38 122.14 1u1c n GLN 209 Ca 0.19 -0.93 -0.05 0.00 -0.01 0.00 0.00 57.00 56.21 1u1c n GLN 209 Cb 0.59 -0.67 -0.01 0.00 1.02 0.00 0.00 30.24 31.17 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 -0.19 0.43 3.66 1.08 0.00 -0.85 -5.02 105.19 104.30 1u1c n GLY 210 Ca 0.01 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.38 3.44 -0.05 0.99 1.43 0.51 -5.04 118.68 118.58 1u1c s LEU 211 Ca 0.00 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1u1c s LEU 211 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1u1c s LEU 211 CO 0.00 0.28 0.61 -0.13 0.23 0.00 0.00 176.35 177.35 1u1c s ARG 212 N -1.50 4.37 -0.01 1.70 0.52 -0.64 -3.82 118.95 119.57 1u1c s ARG 212 Ca 0.19 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1u1c s ARG 212 Cb -0.11 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.96 1u1c s ARG 212 CO 0.09 0.21 -0.00 0.00 0.02 0.00 0.00 175.30 175.62 1u1c s ALA 213 N 0.36 0.16 0.16 2.13 0.00 -1.26 0.06 121.76 123.38 1u1c s ALA 213 Ca 0.32 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1u1c s ALA 213 Cb -0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1u1c s ALA 213 CO 0.16 -0.02 -0.17 0.20 0.00 0.00 0.00 175.76 175.93 1u1c s GLY 214 N 0.41 1.34 -0.06 0.00 0.00 0.03 -0.55 107.32 108.49 1u1c s GLY 214 Ca -0.04 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 1u1c s GLY 214 CO -0.01 -1.52 0.01 -0.29 0.00 0.00 0.00 173.10 171.29 1u1c s MET 215 N -2.81 0.47 0.01 2.90 1.75 -1.26 -0.60 119.30 119.76 1u1c s MET 215 Ca 0.15 0.16 0.04 0.00 -1.25 0.00 0.00 55.69 54.78 1u1c s MET 215 Cb -0.05 -0.87 -0.01 0.00 2.84 0.00 0.00 34.83 36.74 1u1c s MET 215 CO 0.06 -0.30 -0.11 0.54 -0.65 0.00 0.00 175.02 174.56 1u1c s VAL 216 N 1.97 0.89 -0.04 10.11 0.11 -0.30 -1.81 120.40 131.33 1u1c s VAL 216 Ca 0.04 -0.69 -0.11 0.00 -2.93 0.00 0.00 61.98 58.30 1u1c s VAL 216 Cb -0.12 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1u1c s VAL 216 CO -0.05 0.10 0.25 0.00 -3.33 0.00 0.00 175.10 172.07 1u1c s ALA 217 N -0.55 -0.61 -0.19 1.54 0.00 -0.67 -1.18 121.76 120.11 1u1c s ALA 217 Ca 0.02 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 1u1c s ALA 217 Cb -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1u1c s ALA 217 CO 0.00 -0.19 0.12 0.20 0.00 0.00 0.00 175.76 175.89 1u1c s GLY 218 N -0.75 2.04 -0.43 0.00 0.00 -0.88 -0.45 107.32 106.85 1u1c s GLY 218 Ca -0.08 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1u1c s GLY 218 CO 0.02 0.05 1.31 0.14 0.00 0.00 0.00 173.10 174.62 1u1c s VAL 219 N 0.16 4.02 -0.67 1.40 1.01 0.14 -2.39 120.40 124.05 1u1c s VAL 219 Ca 0.08 1.04 0.17 0.00 0.00 0.00 0.00 61.98 63.27 1u1c s VAL 219 Cb -0.11 -4.35 -0.19 0.00 0.00 0.00 0.00 36.38 31.73 1u1c s VAL 219 CO -0.01 -0.84 0.66 2.30 0.00 0.00 0.00 175.10 177.21 1u1c n ILE 220 N 6.97 0.00 -3.79 2.22 -5.35 -1.10 -0.06 119.36 118.25 1u1c n ILE 220 Ca 0.15 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1u1c n ILE 220 Cb 0.48 0.88 -0.11 0.00 -1.74 0.00 0.00 39.64 39.15 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 -2.65 0.02 -0.17 7.28 1.01 -1.23 -4.59 120.40 120.08 1u1c s VAL 221 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1u1c s VAL 221 Cb 0.12 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1u1c s VAL 221 CO 0.68 -0.11 -0.18 0.21 0.00 0.00 0.00 175.10 175.70 1u1c s ASN 222 N -0.40 3.34 0.24 3.32 3.84 -1.26 -1.20 114.94 122.82 1u1c s ASN 222 Ca -0.05 -0.57 0.25 0.00 0.21 0.00 0.00 52.86 52.70 1u1c s ASN 222 Cb -0.03 -1.51 0.89 0.00 -0.55 0.00 0.00 41.25 40.05 1u1c s ASN 222 CO 0.01 0.04 1.75 0.54 -2.79 0.00 0.00 177.10 176.66 1u1c n ARG 223 N 4.35 0.24 0.06 0.43 5.12 -0.06 -3.36 116.66 123.44 1u1c n ARG 223 Ca -0.20 0.32 0.02 0.00 -1.93 0.00 0.00 57.85 56.06 1u1c n ARG 223 Cb 0.51 -1.85 -0.05 0.00 -1.16 0.00 0.00 32.46 29.91 1u1c n ARG 223 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1u1c h THR 224 N 0.00 0.46 0.00 0.55 1.35 -1.88 -3.46 112.91 109.93 1u1c h THR 224 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1u1c h THR 224 Cb 0.57 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1u1c h THR 224 CO 0.00 0.26 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 1u1c n GLN 225 N -2.91 0.00 -1.84 4.72 10.64 -1.22 -5.12 117.38 121.64 1u1c n GLN 225 Ca -0.06 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.80 1u1c n GLN 225 Cb 0.77 -0.02 0.02 0.00 -0.86 0.00 0.00 30.24 30.15 1u1c n GLN 225 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1u1c s GLN 226 N -1.08 3.37 -0.09 2.61 1.03 -1.21 -5.08 119.66 119.21 1u1c s GLN 226 Ca 0.00 0.71 0.03 0.00 0.04 0.00 0.00 55.36 56.14 1u1c s GLN 226 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 33.01 30.99 1u1c s GLN 226 CO 0.00 -0.72 -0.20 -1.83 -2.54 0.00 0.00 175.29 170.00 1u1c s GLU 227 N -5.21 2.61 0.21 9.60 4.04 -1.26 -4.73 118.70 123.97 1u1c s GLU 227 Ca 0.56 -0.73 0.00 0.00 0.04 0.00 0.00 54.97 54.84 1u1c s GLU 227 Cb -0.11 -2.02 0.00 0.00 0.02 0.00 0.00 34.13 32.02 1u1c s GLU 227 CO 0.54 0.12 0.00 -0.89 -1.84 0.00 0.00 175.26 173.19 1u1c n ILE 228 N 3.65 -6.01 -2.01 1.83 5.41 -1.26 -4.87 119.36 116.10 1u1c n ILE 228 Ca -0.20 1.93 -0.42 0.00 1.00 0.00 0.00 62.75 65.06 1u1c n ILE 228 Cb 0.52 -3.21 -0.03 0.00 -0.71 0.00 0.00 39.64 36.22 1u1c n ILE 228 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1u1c s PRO 229 N -2.33 4.22 0.22 0.38 0.02 -1.26 -4.98 135.00 131.27 1u1c s PRO 229 Ca 0.00 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 1u1c s PRO 229 Cb 0.00 -3.58 -0.09 0.00 0.02 0.00 0.00 34.50 30.85 1u1c s PRO 229 CO 0.00 -0.69 1.17 1.21 -0.33 0.00 0.00 177.00 178.36 1u1c s ASN 230 N 2.24 7.13 0.18 2.53 2.47 -1.26 -4.96 114.94 123.28 1u1c s ASN 230 Ca 0.71 2.26 -0.10 0.00 0.42 0.00 0.00 52.86 56.15 1u1c s ASN 230 Cb -0.38 -2.61 0.10 0.00 -1.45 0.00 0.00 41.25 36.91 1u1c s ASN 230 CO 0.31 -0.31 1.73 0.00 -3.72 0.00 0.00 177.10 175.11 1u1c h ALA 231 N 4.71 0.86 -0.36 1.71 0.00 -1.99 -1.41 119.26 122.78 1u1c h ALA 231 Ca -0.45 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 1u1c h ALA 231 Cb 1.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1u1c h ALA 231 CO 0.72 0.51 -0.44 0.93 0.00 0.00 0.00 179.25 180.97 1u1c h GLU 232 N 0.94 0.92 0.00 0.00 4.39 -2.02 -3.13 114.58 115.68 1u1c h GLU 232 Ca 0.21 -0.52 -0.12 0.00 0.34 0.00 0.00 59.36 59.27 1u1c h GLU 232 Cb 0.26 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1u1c h GLU 232 CO -0.01 1.17 -0.59 1.15 -1.16 0.00 0.00 179.01 179.56 1u1c h THR 233 N 0.74 1.29 -0.53 1.13 2.02 -1.96 -3.27 112.91 112.34 1u1c h THR 233 Ca 0.05 -2.13 -0.03 0.00 0.77 0.00 0.00 66.41 65.07 1u1c h THR 233 Cb 1.04 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1u1c h THR 233 CO 0.10 0.58 0.23 0.24 0.37 0.00 0.00 175.52 177.05 1u1c h MET 234 N 0.00 0.78 -0.52 6.66 2.86 -1.20 -2.28 114.93 121.22 1u1c h MET 234 Ca -0.01 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.40 1u1c h MET 234 Cb 1.15 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 1u1c h MET 234 CO 0.08 0.66 -0.07 0.87 1.06 0.00 0.00 176.91 179.51 1u1c h LYS 235 N 0.71 0.97 0.00 1.72 1.57 -1.60 -1.86 116.57 118.08 1u1c h LYS 235 Ca 0.18 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1u1c h LYS 235 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1u1c h LYS 235 CO -0.02 1.01 -0.64 0.37 -0.57 0.00 0.00 179.45 179.60 1u1c h GLN 236 N 0.83 0.00 -0.06 3.15 5.75 -1.61 -2.21 115.11 120.96 1u1c h GLN 236 Ca 0.14 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.43 1u1c h GLN 236 Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1u1c h GLN 236 CO 0.04 0.64 -0.82 1.15 -2.65 0.00 0.00 178.83 177.19 1u1c h THR 237 N 0.00 1.36 -0.15 2.39 2.02 -1.34 -2.68 112.91 114.51 1u1c h THR 237 Ca -0.01 -2.22 -0.03 0.00 0.77 0.00 0.00 66.41 64.93 1u1c h THR 237 Cb 1.20 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1u1c h THR 237 CO 0.08 0.67 -0.01 -0.08 0.37 0.00 0.00 175.52 176.55 1u1c h GLU 238 N 0.31 0.28 0.00 6.66 4.81 -1.25 -2.74 114.58 122.65 1u1c h GLU 238 Ca -0.05 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1u1c h GLU 238 Cb 1.43 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1u1c h GLU 238 CO 0.15 0.52 -0.35 1.03 -0.73 0.00 0.00 179.01 179.63 1u1c h SER 239 N 0.00 0.00 -0.18 1.04 0.87 -1.48 -1.71 113.55 112.09 1u1c h SER 239 Ca 0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1u1c h SER 239 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1u1c h SER 239 CO 0.01 0.35 -0.07 -0.74 -0.53 0.00 0.00 176.83 175.84 1u1c h HIS 240 N 0.00 0.43 -0.06 2.24 2.76 -1.44 -2.64 115.15 116.44 1u1c h HIS 240 Ca -0.00 -0.10 -0.14 0.00 -2.20 0.00 0.00 60.37 57.93 1u1c h HIS 240 Cb 0.65 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1u1c h HIS 240 CO 0.00 0.66 -0.57 0.00 -1.30 0.00 0.00 177.93 176.72 1u1c h ALA 241 N 0.70 0.91 -0.59 5.26 0.00 -1.36 -3.09 119.26 121.10 1u1c h ALA 241 Ca 0.04 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1u1c h ALA 241 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u1c h ALA 241 CO 0.02 0.71 -0.03 0.28 0.00 0.00 0.00 179.25 180.24 1u1c h VAL 242 N 0.15 1.27 -0.66 0.00 2.07 -1.33 -2.22 116.25 115.53 1u1c h VAL 242 Ca -0.00 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1u1c h VAL 242 Cb 1.06 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1u1c h VAL 242 CO 0.09 0.42 0.41 0.11 0.02 0.00 0.00 177.57 178.62 1u1c h LYS 243 N 0.95 0.89 -0.23 1.57 1.57 -1.41 -2.41 116.57 117.50 1u1c h LYS 243 Ca 0.16 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1u1c h LYS 243 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1u1c h LYS 243 CO 0.03 0.62 -0.12 0.82 -0.57 0.00 0.00 179.45 180.23 1u1c h ILE 244 N 0.91 1.31 -0.16 1.86 2.04 -1.42 -2.66 117.51 119.39 1u1c h ILE 244 Ca 0.24 -1.20 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1u1c h ILE 244 Cb -0.05 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1u1c h ILE 244 CO -0.05 0.37 -0.22 1.62 0.00 0.00 0.00 178.15 179.87 1u1c h VAL 245 N 0.19 1.23 -0.08 1.67 3.04 -1.16 0.61 116.25 121.75 1u1c h VAL 245 Ca 0.05 -1.07 -0.18 0.00 -1.01 0.00 0.00 66.70 64.49 1u1c h VAL 245 Cb 0.62 1.36 0.01 0.00 -2.01 0.00 0.00 31.29 31.27 1u1c h VAL 245 CO 0.04 0.33 -0.63 0.58 -1.01 0.00 0.00 177.57 176.87 1u1c h VAL 246 N 0.26 1.35 -0.20 1.51 2.07 -1.49 -2.09 116.25 117.66 1u1c h VAL 246 Ca 0.04 -1.95 -0.06 0.00 0.82 0.00 0.00 66.70 65.56 1u1c h VAL 246 Cb 0.54 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1u1c h VAL 246 CO 0.04 0.59 -0.15 -0.08 0.02 0.00 0.00 177.57 177.99 1u1c h GLU 247 N 0.19 0.33 -0.18 1.57 4.57 -1.21 -2.39 114.58 117.46 1u1c h GLU 247 Ca -0.06 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 57.88 1u1c h GLU 247 Cb 1.29 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1u1c h GLU 247 CO 0.13 0.48 -0.54 0.00 -1.18 0.00 0.00 179.01 177.89 1u1c h ALA 248 N 1.55 0.71 -0.18 2.92 0.00 -0.87 -3.05 119.26 120.34 1u1c h ALA 248 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1u1c h ALA 248 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u1c h ALA 248 CO 0.03 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 1u1c h ALA 249 N 0.99 1.58 -0.73 0.00 0.00 -0.93 -2.48 119.26 117.69 1u1c h ALA 249 Ca 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1u1c h ALA 249 Cb 1.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1u1c h ALA 249 CO 0.10 0.31 0.34 0.00 0.00 0.00 0.00 179.25 180.00 1u1c h ARG 250 N 0.26 1.06 0.00 0.00 3.08 -1.33 -2.84 114.38 114.60 1u1c h ARG 250 Ca 0.06 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1u1c h ARG 250 Cb 0.27 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1u1c h ARG 250 CO 0.01 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.74 1u1c h ARG 251 N 1.03 0.00 0.00 0.04 3.08 -1.42 -3.20 114.38 113.90 1u1c h ARG 251 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1u1c h ARG 251 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1u1c h ARG 251 CO -0.03 0.00 -1.03 1.28 -1.07 0.00 0.00 179.97 179.12 1u1c n LEU 252 N -3.00 0.93 -0.13 3.04 4.77 -1.10 -5.06 117.00 116.44 1u1c n LEU 252 Ca 0.02 -0.45 0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1u1c n LEU 252 Cb 0.40 -0.01 0.83 0.00 -2.33 0.00 0.00 43.42 42.31 1u1c n LEU 252 CO 0.30 0.23 1.04 0.18 -1.33 0.00 0.00 177.39 177.81