#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1c s SER 4 N 0.00 -0.59 0.00 -5.58 0.15 -1.26 -4.19 113.70 102.23 1u1c s SER 4 Ca 0.00 1.03 0.24 0.00 0.70 0.00 0.00 55.95 57.92 1u1c s SER 4 Cb 0.00 0.94 0.35 0.00 -1.71 0.00 0.00 66.02 65.61 1u1c s SER 4 CO 0.00 -0.20 1.31 0.47 1.20 0.00 0.00 173.24 176.02 1u1c n ASP 5 N 3.87 1.11 -4.38 5.45 10.43 0.62 -4.92 116.55 128.74 1u1c n ASP 5 Ca -0.20 -0.88 -0.19 0.00 2.57 0.00 0.00 54.79 56.09 1u1c n ASP 5 Cb 0.56 0.39 -0.10 0.00 1.84 0.00 0.00 41.12 43.81 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 -2.71 1.23 0.15 2.53 -7.23 -1.24 -5.06 120.40 108.05 1u1c s VAL 6 Ca 0.17 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1u1c s VAL 6 Cb 0.18 -2.45 -0.14 0.00 0.56 0.00 0.00 36.38 34.53 1u1c s VAL 6 CO 0.64 -0.26 1.37 -0.26 -0.31 0.00 0.00 175.10 176.27 1u1c h PHE 7 N 2.36 0.66 0.00 2.82 0.05 -1.95 -3.41 116.94 117.46 1u1c h PHE 7 Ca -0.39 -0.31 -0.03 0.00 3.82 0.00 0.00 57.97 61.06 1u1c h PHE 7 Cb 1.23 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 39.08 1u1c h PHE 7 CO 0.61 1.11 -1.11 0.72 -0.18 0.00 0.00 178.31 179.45 1u1c n HIS 8 N -3.82 0.00 0.20 -0.55 8.25 -1.26 -4.82 115.22 113.23 1u1c n HIS 8 Ca -0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.47 1u1c n HIS 8 Cb 0.76 -0.07 0.42 0.00 1.12 0.00 0.00 29.99 32.22 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 -0.01 0.00 -1.34 2.41 3.38 -1.92 -3.44 115.31 114.39 1u1c h LEU 9 Ca -0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1u1c h LEU 9 Cb 1.06 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.89 1u1c h LEU 9 CO -0.01 0.31 -0.35 0.61 0.09 0.00 0.00 178.44 179.09 1u1c n GLY 10 N -0.03 0.14 3.12 0.83 0.00 -1.26 -4.70 105.19 103.29 1u1c n GLY 10 Ca -0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.10 2.25 0.28 0.99 1.43 -1.26 -4.77 118.68 113.49 1u1c s LEU 11 Ca 0.16 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1u1c s LEU 11 Cb -0.07 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1u1c s LEU 11 CO 0.36 -0.11 0.21 0.42 0.23 0.00 0.00 176.35 177.45 1u1c s THR 12 N -1.23 4.12 0.48 5.49 -4.23 -1.26 -0.28 115.64 118.74 1u1c s THR 12 Ca -0.05 -1.43 0.17 0.00 -1.18 0.00 0.00 61.69 59.19 1u1c s THR 12 Cb -0.09 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 70.77 1u1c s THR 12 CO 0.01 -0.30 2.03 0.50 -0.54 0.00 0.00 174.62 176.32 1u1c h LYS 13 N 1.46 0.22 -0.03 3.99 3.64 -1.96 -1.92 116.57 121.97 1u1c h LYS 13 Ca -0.47 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 1u1c h LYS 13 Cb 1.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1u1c h LYS 13 CO 0.60 0.15 -0.32 -0.97 -2.27 0.00 0.00 179.45 176.63 1u1c h ASN 14 N 0.23 0.05 0.18 4.20 -0.73 -1.95 -2.89 115.58 114.66 1u1c h ASN 14 Ca 0.19 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 1u1c h ASN 14 Cb 0.48 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.05 1u1c h ASN 14 CO -0.04 0.37 -0.09 0.44 -0.37 0.00 0.00 177.43 177.75 1u1c h ASP 15 N 0.04 0.00 1.66 1.15 3.45 -1.75 -2.68 116.42 118.30 1u1c h ASP 15 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1u1c h ASP 15 Cb 0.60 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1u1c h ASP 15 CO 0.04 0.09 -0.26 -0.07 -1.57 0.00 0.00 179.24 177.47 1u1c h LEU 16 N 0.00 0.00 0.80 1.55 4.07 -1.61 -3.48 115.31 116.65 1u1c h LEU 16 Ca -0.00 -0.01 -0.39 0.00 0.08 0.00 0.00 57.88 57.56 1u1c h LEU 16 Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1u1c h LEU 16 CO 0.01 0.01 -0.57 0.00 -1.08 0.00 0.00 178.44 176.81 1u1c n GLN 17 N -2.87 -4.05 -0.50 1.13 6.02 -1.01 -1.86 117.38 114.24 1u1c n GLN 17 Ca 0.03 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1u1c n GLN 17 Cb 0.52 -5.45 0.00 0.00 1.02 0.00 0.00 30.24 26.33 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 -1.32 0.75 3.76 1.08 0.00 -1.26 -4.82 105.19 103.37 1u1c n GLY 18 Ca -0.06 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.58 -0.09 4.61 0.00 -0.78 -4.93 121.76 122.15 1u1c s ALA 19 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.30 1u1c s ALA 19 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1u1c s ALA 19 CO 0.00 -0.73 0.18 0.25 0.00 0.00 0.00 175.76 175.46 1u1c n THR 20 N 1.65 0.00 -5.17 0.00 -2.24 -1.26 -4.27 114.28 103.00 1u1c n THR 20 Ca 0.04 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 1u1c n THR 20 Cb 0.41 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.56 2.21 -0.05 3.22 0.20 -1.26 0.36 118.68 121.79 1u1c s LEU 21 Ca 0.01 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.40 1u1c s LEU 21 Cb 0.01 -1.42 -0.00 0.00 -0.43 0.00 0.00 46.19 44.34 1u1c s LEU 21 CO 0.04 0.23 -0.18 0.00 -0.29 0.00 0.00 176.35 176.15 1u1c s ALA 22 N -0.05 1.60 -0.18 5.97 0.00 0.01 -2.32 121.76 126.79 1u1c s ALA 22 Ca -0.06 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1u1c s ALA 22 Cb -0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1u1c s ALA 22 CO 0.05 0.28 0.42 0.42 0.00 0.00 0.00 175.76 176.93 1u1c s ILE 23 N 0.05 5.20 -0.46 0.00 1.01 0.96 -1.00 121.20 126.95 1u1c s ILE 23 Ca -0.05 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1u1c s ILE 23 Cb -0.12 -3.75 0.13 0.00 0.01 0.00 0.00 42.46 38.73 1u1c s ILE 23 CO 0.03 0.28 0.22 0.68 0.00 0.00 0.00 174.94 176.15 1u1c s VAL 24 N 1.09 2.05 0.76 2.92 -7.23 -0.08 -1.31 120.40 118.59 1u1c s VAL 24 Ca 0.21 -2.86 -0.11 0.00 -1.81 0.00 0.00 61.98 57.40 1u1c s VAL 24 Cb -0.15 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.40 1u1c s VAL 24 CO 0.08 -0.81 1.10 -2.16 -0.31 0.00 0.00 175.10 173.00 1u1c s PRO 25 N 0.15 2.41 0.09 4.82 0.04 -1.24 -2.99 135.00 138.28 1u1c s PRO 25 Ca 0.16 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1u1c s PRO 25 Cb -0.24 -1.96 -0.25 0.00 0.04 0.00 0.00 34.50 32.09 1u1c s PRO 25 CO -0.02 -1.38 1.19 0.78 0.04 0.00 0.00 177.00 177.61 1u1c h GLY 26 N -0.91 0.27 -7.05 0.56 0.00 -1.83 -0.21 103.07 93.90 1u1c h GLY 26 Ca -0.46 -0.66 -0.62 0.00 0.00 0.00 0.00 47.33 45.59 1u1c h GLY 26 CO 0.61 0.58 -0.16 -0.35 0.00 0.00 0.00 176.54 177.21 1u1c s ASP 27 N -7.07 6.33 0.44 0.19 -1.08 -1.26 -1.29 116.67 112.93 1u1c s ASP 27 Ca -0.03 0.38 0.14 0.00 -0.52 0.00 0.00 52.55 52.52 1u1c s ASP 27 Cb 0.08 -2.23 1.05 0.00 -1.46 0.00 0.00 42.92 40.35 1u1c s ASP 27 CO 0.87 -0.20 2.00 1.55 0.52 0.00 0.00 175.17 179.91 1u1c h PRO 28 N 8.04 0.36 0.00 4.34 0.13 -1.89 -2.28 132.00 140.70 1u1c h PRO 28 Ca -0.31 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1u1c h PRO 28 Cb 1.16 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1u1c h PRO 28 CO 0.67 0.24 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.19 1u1c h ASP 29 N 0.37 0.00 0.86 1.44 3.45 -1.96 -2.95 116.42 117.63 1u1c h ASP 29 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1u1c h ASP 29 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1u1c h ASP 29 CO -0.06 0.05 -0.64 -0.09 -1.57 0.00 0.00 179.24 176.93 1u1c h ARG 30 N 0.00 0.00 -0.41 3.56 2.43 -1.83 -3.40 114.38 114.73 1u1c h ARG 30 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1u1c h ARG 30 Cb 0.50 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1u1c h ARG 30 CO 0.01 0.00 0.19 0.28 -1.51 0.00 0.00 179.97 178.94 1u1c h VAL 31 N 0.00 0.95 -0.72 0.20 2.07 -1.51 -2.41 116.25 114.83 1u1c h VAL 31 Ca 0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1u1c h VAL 31 Cb 0.75 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1u1c h VAL 31 CO 0.00 0.07 0.24 -0.08 0.02 0.00 0.00 177.57 177.83 1u1c h GLU 32 N 0.39 1.09 -0.83 1.57 4.81 -1.78 -1.60 114.58 118.22 1u1c h GLU 32 Ca 0.18 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1u1c h GLU 32 Cb 0.11 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1u1c h GLU 32 CO -0.14 0.92 0.46 0.87 -0.73 0.00 0.00 179.01 180.38 1u1c h LYS 33 N 1.06 1.16 -0.11 1.92 1.57 -1.69 0.10 116.57 120.57 1u1c h LYS 33 Ca 0.24 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1u1c h LYS 33 Cb 0.27 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1u1c h LYS 33 CO -0.01 0.84 -0.57 0.82 -0.57 0.00 0.00 179.45 179.96 1u1c h ILE 34 N 1.16 1.35 -0.29 1.86 2.04 -1.27 -3.26 117.51 119.11 1u1c h ILE 34 Ca 0.29 -1.87 -0.06 0.00 1.00 0.00 0.00 64.86 64.23 1u1c h ILE 34 Cb 0.02 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1u1c h ILE 34 CO -0.05 0.57 -0.09 0.00 0.00 0.00 0.00 178.15 178.58 1u1c h ALA 35 N 0.49 1.32 0.00 1.87 0.00 -1.04 -2.62 119.26 119.28 1u1c h ALA 35 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1u1c h ALA 35 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1u1c h ALA 35 CO 0.12 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1u1c h ALA 36 N 1.48 1.00 0.00 0.00 0.00 -0.84 -2.08 119.26 118.81 1u1c h ALA 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u1c h ALA 36 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1u1c h ALA 36 CO 0.02 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.16 1u1c n LEU 37 N -2.90 0.71 -4.86 0.00 7.94 -0.99 -4.82 117.00 112.08 1u1c n LEU 37 Ca -0.00 0.62 -0.25 0.00 -1.11 0.00 0.00 56.01 55.27 1u1c n LEU 37 Cb 0.23 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.70 1u1c n LEU 37 CO 0.23 -0.36 -0.01 -0.04 -1.11 0.00 0.00 177.39 176.10 1u1c s MET 38 N -3.20 2.31 0.32 1.96 -1.94 -0.78 -5.11 119.30 112.85 1u1c s MET 38 Ca 0.08 -1.89 -0.27 0.00 -1.71 0.00 0.00 55.69 51.89 1u1c s MET 38 Cb 0.11 -2.12 -0.09 0.00 2.01 0.00 0.00 34.83 34.73 1u1c s MET 38 CO 0.49 -0.43 1.03 -0.51 -0.01 0.00 0.00 175.02 175.60 1u1c s ASP 39 N -4.17 7.15 -1.05 3.03 1.01 0.28 -4.39 116.67 118.53 1u1c s ASP 39 Ca 0.38 2.07 -0.19 0.00 0.71 0.00 0.00 52.55 55.52 1u1c s ASP 39 Cb -0.01 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1u1c s ASP 39 CO 0.22 -0.21 0.69 0.29 0.21 0.00 0.00 175.17 176.37 1u1c n LYS 40 N 0.69 -0.94 -2.45 8.23 5.02 -1.26 0.70 118.16 128.15 1u1c n LYS 40 Ca 0.01 0.47 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 1u1c n LYS 40 Cb 0.48 -3.04 -0.04 0.00 -0.02 0.00 0.00 35.03 32.41 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 -6.03 4.53 -0.03 1.97 0.04 -1.26 -4.26 135.00 129.95 1u1c s PRO 41 Ca 0.31 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1u1c s PRO 41 Cb -0.15 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.14 1u1c s PRO 41 CO 0.91 -0.03 -0.04 0.08 0.04 0.00 0.00 177.00 177.97 1u1c s VAL 42 N -0.04 0.43 0.07 -0.36 1.01 0.34 -5.00 120.40 116.86 1u1c s VAL 42 Ca 0.52 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 1u1c s VAL 42 Cb -0.31 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 1u1c s VAL 42 CO 0.35 0.19 1.26 -0.75 0.00 0.00 0.00 175.10 176.15 1u1c s LYS 43 N 0.73 4.39 -0.24 2.72 2.20 -1.26 -0.83 119.74 127.45 1u1c s LYS 43 Ca -0.09 1.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.26 1u1c s LYS 43 Cb -0.12 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.76 1u1c s LYS 43 CO -0.00 -0.32 -0.31 1.28 -0.36 0.00 0.00 175.35 175.64 1u1c n LEU 44 N 4.02 1.79 -3.55 5.43 4.77 0.02 -4.93 117.00 124.55 1u1c n LEU 44 Ca 0.10 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1u1c n LEU 44 Cb 0.45 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1u1c n LEU 44 CO 0.56 0.53 0.36 0.00 -1.33 0.00 0.00 177.39 177.51 1u1c s ALA 45 N -2.45 -1.55 -0.22 -1.18 0.00 -1.07 -5.01 121.76 110.29 1u1c s ALA 45 Ca -0.34 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 1u1c s ALA 45 Cb 0.13 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.46 1u1c s ALA 45 CO 0.43 -0.41 0.13 0.45 0.00 0.00 0.00 175.76 176.37 1u1c s SER 46 N -1.44 2.53 -0.02 0.00 0.15 -1.26 -0.45 113.70 113.21 1u1c s SER 46 Ca -0.10 -0.77 -0.00 0.00 0.70 0.00 0.00 55.95 55.78 1u1c s SER 46 Cb -0.01 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1u1c s SER 46 CO 0.06 -0.38 0.03 -1.00 1.20 0.00 0.00 173.24 173.15 1u1c s HIS 47 N 2.16 0.06 0.00 3.44 3.76 -0.63 -5.01 115.29 119.07 1u1c s HIS 47 Ca 0.05 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1u1c s HIS 47 Cb -0.16 -0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1u1c s HIS 47 CO -0.19 -0.11 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1u1c n ARG 48 N 4.37 0.00 -0.37 1.40 1.74 -1.26 -0.89 116.66 121.65 1u1c n ARG 48 Ca -0.24 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 56.92 1u1c n ARG 48 Cb 0.50 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.19 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 14.00 2.65 -3.59 5.56 0.00 -1.26 -4.82 120.64 133.18 1u1c n GLU 49 Ca 0.00 -2.03 -0.40 0.00 0.00 0.00 0.00 57.16 54.73 1u1c n GLU 49 Cb 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 31.44 29.77 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 -1.53 3.46 -0.19 -1.84 0.40 -0.06 -4.12 117.98 114.10 1u1c s PHE 50 Ca 0.37 -1.98 -0.06 0.00 -0.60 0.00 0.00 56.93 54.66 1u1c s PHE 50 Cb 0.22 -3.46 -0.03 0.00 0.51 0.00 0.00 43.02 40.26 1u1c s PHE 50 CO 0.21 -0.99 0.02 0.99 0.70 0.00 0.00 175.22 176.16 1u1c s THR 51 N 1.27 4.31 -0.11 0.64 2.01 -1.26 -1.60 115.64 120.90 1u1c s THR 51 Ca 0.07 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1u1c s THR 51 Cb -0.25 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1u1c s THR 51 CO -0.01 0.45 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.24 1u1c s THR 52 N 0.63 2.06 0.15 -0.82 2.01 0.40 -1.54 115.64 118.53 1u1c s THR 52 Ca 0.01 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.11 1u1c s THR 52 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1u1c s THR 52 CO 0.02 0.56 -0.24 0.26 -0.69 0.00 0.00 174.62 174.53 1u1c s TRP 53 N 0.48 2.16 0.02 4.92 0.52 0.98 -0.80 118.94 127.22 1u1c s TRP 53 Ca -0.15 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.66 1u1c s TRP 53 Cb -0.17 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1u1c s TRP 53 CO 0.06 0.38 -0.24 0.50 0.02 0.00 0.00 176.95 177.67 1u1c s ARG 54 N -2.36 1.98 0.19 4.98 3.52 -0.01 -0.25 118.95 127.01 1u1c s ARG 54 Ca 0.16 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 1u1c s ARG 54 Cb -0.09 -2.07 -0.03 0.00 -1.56 0.00 0.00 34.95 31.21 1u1c s ARG 54 CO 0.07 0.54 0.22 0.00 -0.81 0.00 0.00 175.30 175.32 1u1c s ALA 55 N -0.78 0.60 -0.15 6.12 0.00 0.18 -0.50 121.76 127.23 1u1c s ALA 55 Ca 0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 1u1c s ALA 55 Cb -0.10 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 1u1c s ALA 55 CO 0.02 -0.64 0.01 -2.00 0.00 0.00 0.00 175.76 173.15 1u1c s GLU 56 N -4.07 3.60 -0.19 0.00 2.12 0.22 -0.18 118.70 120.19 1u1c s GLU 56 Ca 0.29 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 1u1c s GLU 56 Cb 0.05 -2.98 0.06 0.00 0.26 0.00 0.00 34.13 31.51 1u1c s GLU 56 CO 0.07 0.38 0.03 -1.17 -0.54 0.00 0.00 175.26 174.03 1u1c s LEU 57 N 0.03 1.28 -1.47 2.70 2.96 0.72 -0.56 118.68 124.34 1u1c s LEU 57 Ca 0.03 -0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 53.00 1u1c s LEU 57 Cb -0.13 -0.64 0.06 0.00 0.50 0.00 0.00 46.19 45.99 1u1c s LEU 57 CO 0.02 -0.30 0.83 0.47 -1.32 0.00 0.00 176.35 176.06 1u1c n ASP 58 N 5.02 -4.94 0.00 3.68 9.92 -1.26 -1.48 116.55 127.50 1u1c n ASP 58 Ca -0.09 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1u1c n ASP 58 Cb 0.47 -3.97 0.00 0.00 -0.64 0.00 0.00 41.12 36.98 1u1c n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u1c n GLY 59 N -1.58 0.50 3.28 0.44 0.00 -1.26 -5.04 105.19 101.54 1u1c n GLY 59 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 2.55 0.24 1.61 -0.14 -0.55 -5.09 119.74 118.34 1u1c s LYS 60 Ca 0.00 -0.89 -0.30 0.00 -1.36 0.00 0.00 55.97 53.42 1u1c s LYS 60 Cb 0.00 -2.18 -0.10 0.00 -1.68 0.00 0.00 37.83 33.87 1u1c s LYS 60 CO 0.00 0.40 1.43 -1.25 -0.76 0.00 0.00 175.35 175.16 1u1c s PRO 61 N -0.20 4.28 -0.03 -1.68 0.04 -1.26 -0.20 135.00 135.95 1u1c s PRO 61 Ca -0.02 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.31 1u1c s PRO 61 Cb -0.13 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1u1c s PRO 61 CO 0.03 -0.40 -0.05 0.08 0.04 0.00 0.00 177.00 176.70 1u1c s VAL 62 N -0.00 0.49 -0.06 -0.36 1.01 0.75 -4.58 120.40 117.64 1u1c s VAL 62 Ca 0.59 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1u1c s VAL 62 Cb -0.41 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1u1c s VAL 62 CO 0.43 0.19 0.34 -0.63 0.00 0.00 0.00 175.10 175.43 1u1c s ILE 63 N 0.60 5.18 -0.19 2.22 -1.09 -0.98 -0.65 121.20 126.29 1u1c s ILE 63 Ca -0.08 0.68 0.01 0.00 -2.23 0.00 0.00 60.65 59.03 1u1c s ILE 63 Cb -0.11 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1u1c s ILE 63 CO -0.00 0.53 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.37 1u1c s VAL 64 N -0.61 2.16 -0.03 2.92 1.01 0.66 -0.03 120.40 126.47 1u1c s VAL 64 Ca 0.21 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1u1c s VAL 64 Cb -0.15 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1u1c s VAL 64 CO 0.10 0.47 0.05 0.00 0.00 0.00 0.00 175.10 175.72 1u1c s SER 66 N 1.61 7.15 0.01 0.00 1.04 -0.59 -3.65 113.70 119.27 1u1c s SER 66 Ca -0.02 2.20 0.21 0.00 0.48 0.00 0.00 55.95 58.81 1u1c s SER 66 Cb -0.12 -2.62 -0.22 0.00 0.10 0.00 0.00 66.02 63.16 1u1c s SER 66 CO -0.03 -0.22 0.60 0.35 0.98 0.00 0.00 173.24 174.91 1u1c n THR 67 N 0.87 0.55 -0.06 2.02 -2.24 -0.09 -4.42 114.28 110.93 1u1c n THR 67 Ca 0.00 -0.60 0.01 0.00 -2.27 0.00 0.00 64.05 61.19 1u1c n THR 67 Cb 0.46 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 1.34 -1.71 3.72 3.38 0.00 -0.41 -3.15 105.19 108.36 1u1c n GLY 68 Ca -0.09 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.67 4.38 0.00 -0.61 1.01 -1.26 -4.65 121.20 118.41 1u1c s ILE 69 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1u1c s ILE 69 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1u1c s ILE 69 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1u1c n GLY 70 N 2.74 2.03 0.29 6.18 0.00 -1.22 -4.70 105.19 110.51 1u1c n GLY 70 Ca 0.06 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 1.11 0.19 -0.02 0.00 -1.86 -2.72 103.07 99.77 1u1c h GLY 71 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1u1c h GLY 71 CO 0.00 0.24 -0.22 -2.55 0.00 0.00 0.00 176.54 174.02 1u1c h PRO 72 N 0.86 -0.21 -0.00 4.80 0.11 -1.94 0.45 132.00 136.06 1u1c h PRO 72 Ca 0.32 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.29 1u1c h PRO 72 Cb 0.12 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1u1c h PRO 72 CO -0.15 -0.14 -0.74 0.66 -0.21 0.00 0.00 178.00 177.42 1u1c h SER 73 N -0.22 0.05 -0.22 -2.05 4.64 -1.80 -2.82 113.55 111.13 1u1c h SER 73 Ca 0.14 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1u1c h SER 73 Cb 0.43 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1u1c h SER 73 CO -0.37 0.77 0.06 0.74 -0.87 0.00 0.00 176.83 177.16 1u1c h THR 74 N 0.03 0.92 -0.71 2.95 2.02 -1.13 -1.38 112.91 115.61 1u1c h THR 74 Ca -0.01 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1u1c h THR 74 Cb 1.31 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1u1c h THR 74 CO 0.10 0.03 0.47 0.77 0.37 0.00 0.00 175.52 177.26 1u1c h SER 75 N 0.15 0.70 0.03 4.18 4.64 0.03 -0.02 113.55 123.28 1u1c h SER 75 Ca 0.10 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u1c h SER 75 Cb 0.08 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1u1c h SER 75 CO -0.12 0.47 -0.02 0.40 -0.87 0.00 0.00 176.83 176.70 1u1c h ILE 76 N 0.81 1.25 -0.53 0.95 2.04 -1.26 -2.66 117.51 118.12 1u1c h ILE 76 Ca 0.29 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1u1c h ILE 76 Cb 0.14 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1u1c h ILE 76 CO -0.09 0.23 0.28 0.00 0.00 0.00 0.00 178.15 178.58 1u1c h ALA 77 N 0.50 0.68 -0.25 1.87 0.00 -0.80 -2.01 119.26 119.26 1u1c h ALA 77 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1u1c h ALA 77 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u1c h ALA 77 CO 0.01 0.21 -0.01 0.28 0.00 0.00 0.00 179.25 179.74 1u1c h VAL 78 N 0.71 1.26 -0.22 0.00 2.07 -1.11 -1.79 116.25 117.16 1u1c h VAL 78 Ca 0.19 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1u1c h VAL 78 Cb 0.07 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1u1c h VAL 78 CO -0.03 0.29 0.13 -0.08 0.02 0.00 0.00 177.57 177.91 1u1c h GLU 79 N 0.21 0.27 -0.07 1.57 4.57 -1.39 -0.72 114.58 119.01 1u1c h GLU 79 Ca 0.07 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 1u1c h GLU 79 Cb 0.43 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1u1c h GLU 79 CO 0.01 0.18 -0.63 0.93 -1.18 0.00 0.00 179.01 178.33 1u1c h GLU 80 N 0.28 0.26 -0.41 1.92 5.08 -1.37 -0.56 114.58 119.77 1u1c h GLU 80 Ca 0.09 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1u1c h GLU 80 Cb -0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1u1c h GLU 80 CO -0.03 0.80 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.58 1u1c h LEU 81 N 0.19 0.74 -0.87 1.33 3.38 -1.22 -2.25 115.31 116.60 1u1c h LEU 81 Ca -0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1u1c h LEU 81 Cb 1.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1u1c h LEU 81 CO 0.10 0.88 -0.16 0.00 0.09 0.00 0.00 178.44 179.35 1u1c h ALA 82 N 1.19 1.05 0.00 1.53 0.00 -0.65 -0.60 119.26 121.78 1u1c h ALA 82 Ca 0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1u1c h ALA 82 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1u1c h ALA 82 CO 0.04 0.58 -0.21 1.96 0.00 0.00 0.00 179.25 181.61 1u1c h GLN 83 N 0.59 0.00 -0.01 0.00 4.20 -0.90 -2.53 115.11 116.46 1u1c h GLN 83 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1u1c h GLN 83 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1u1c h GLN 83 CO 0.04 0.21 -0.23 1.28 -0.67 0.00 0.00 178.83 179.46 1u1c n LEU 84 N -4.18 0.87 0.00 1.46 4.77 -0.84 -4.94 117.00 114.14 1u1c n LEU 84 Ca -0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1u1c n LEU 84 Cb 0.28 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1u1c n LEU 84 CO 0.36 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1u1c n GLY 85 N 1.33 0.99 3.72 -0.72 0.00 -0.80 -4.78 105.19 104.94 1u1c n GLY 85 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.72 -0.00 -0.61 -1.09 -0.30 -4.49 121.20 116.43 1u1c s ILE 86 Ca 0.00 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1u1c s ILE 86 Cb 0.00 -3.83 -0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1u1c s ILE 86 CO 0.00 0.14 0.00 0.54 -1.23 0.00 0.00 174.94 174.39 1u1c n ARG 87 N 3.43 0.11 -4.92 2.79 5.12 0.16 -4.19 116.66 119.15 1u1c n ARG 87 Ca 0.08 -0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 1u1c n ARG 87 Cb 0.45 -1.00 -0.17 0.00 -1.16 0.00 0.00 32.46 30.58 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 -2.01 1.95 -0.16 0.55 2.01 -0.44 -1.61 115.64 115.93 1u1c s THR 88 Ca -0.00 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1u1c s THR 88 Cb 0.00 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1u1c s THR 88 CO 0.01 0.53 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.94 1u1c s PHE 89 N 0.58 2.43 -0.33 4.92 0.40 0.84 -0.81 117.98 126.01 1u1c s PHE 89 Ca -0.14 -1.41 -0.01 0.00 -0.60 0.00 0.00 56.93 54.78 1u1c s PHE 89 Cb -0.17 -1.74 0.08 0.00 0.51 0.00 0.00 43.02 41.70 1u1c s PHE 89 CO 0.04 -0.73 0.06 -0.51 0.70 0.00 0.00 175.22 174.78 1u1c s LEU 90 N 1.40 4.40 0.05 -0.37 1.43 -0.17 -0.50 118.68 124.91 1u1c s LEU 90 Ca 0.05 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.20 1u1c s LEU 90 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1u1c s LEU 90 CO -0.12 -0.36 1.00 -0.60 0.23 0.00 0.00 176.35 176.51 1u1c s ARG 91 N 1.15 4.60 -0.22 1.70 3.52 -0.19 -0.91 118.95 128.59 1u1c s ARG 91 Ca 0.01 1.48 -0.01 0.00 -0.13 0.00 0.00 55.73 57.08 1u1c s ARG 91 Cb -0.21 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1u1c s ARG 91 CO -0.03 0.03 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.89 1u1c s ILE 92 N 0.59 2.72 0.45 4.11 1.10 -1.16 -1.73 121.20 127.28 1u1c s ILE 92 Ca 0.51 -0.92 0.03 0.00 -0.51 0.00 0.00 60.65 59.75 1u1c s ILE 92 Cb -0.23 -2.30 -0.03 0.00 0.15 0.00 0.00 42.46 40.05 1u1c s ILE 92 CO 0.29 0.33 0.06 -0.83 -2.11 0.00 0.00 174.94 172.68 1u1c s GLY 93 N 1.34 2.76 0.26 1.50 0.00 -0.28 -3.84 107.32 109.05 1u1c s GLY 93 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 43.84 1u1c s GLY 93 CO -0.07 -2.01 0.15 -0.51 0.00 0.00 0.00 173.10 170.67 1u1c s THR 94 N -3.04 4.22 0.06 0.90 -4.23 -1.26 -2.04 115.64 110.25 1u1c s THR 94 Ca 0.17 -1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 58.97 1u1c s THR 94 Cb 0.03 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.63 1u1c s THR 94 CO 0.10 -0.35 0.47 0.28 -0.54 0.00 0.00 174.62 174.57 1u1c s THR 95 N -2.18 0.04 -0.27 3.99 -1.32 -0.98 -4.77 115.64 110.16 1u1c s THR 95 Ca 0.33 -0.35 -0.05 0.00 -1.21 0.00 0.00 61.69 60.40 1u1c s THR 95 Cb -0.07 -0.98 0.01 0.00 -1.51 0.00 0.00 72.50 69.94 1u1c s THR 95 CO 0.24 -0.20 0.02 -0.83 -2.21 0.00 0.00 174.62 171.64 1u1c s GLY 96 N -2.08 1.71 0.43 6.08 0.00 -1.04 -2.65 107.32 109.78 1u1c s GLY 96 Ca -0.04 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 43.05 1u1c s GLY 96 CO -0.03 0.58 0.97 0.00 0.00 0.00 0.00 173.10 174.62 1u1c s ALA 97 N 1.44 3.02 0.00 3.20 0.00 -0.29 -0.90 121.76 128.23 1u1c s ALA 97 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1u1c s ALA 97 Cb -0.17 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1u1c s ALA 97 CO -0.00 0.03 0.75 0.44 0.00 0.00 0.00 175.76 176.98 1u1c n ILE 98 N -0.62 0.54 -4.31 0.00 -5.35 0.21 -0.60 119.36 109.24 1u1c n ILE 98 Ca 0.07 -0.71 -0.35 0.00 -0.27 0.00 0.00 62.75 61.49 1u1c n ILE 98 Cb 0.53 0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 39.11 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 -0.54 3.26 0.50 6.28 -1.52 -1.24 -4.86 119.66 121.54 1u1c s GLN 99 Ca 0.00 -0.41 0.20 0.00 -1.95 0.00 0.00 55.36 53.20 1u1c s GLN 99 Cb 0.00 -2.89 1.28 0.00 -0.22 0.00 0.00 33.01 31.18 1u1c s GLN 99 CO 0.00 0.57 2.09 -1.35 -0.25 0.00 0.00 175.29 176.35 1u1c h PRO 100 N 5.62 0.00 -0.00 2.91 0.11 -1.96 -2.73 132.00 135.95 1u1c h PRO 100 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.58 0.10 -0.08 -2.39 -0.21 0.00 0.00 178.00 176.00 1u1c n HIS 101 N -4.18 0.00 -3.51 0.65 1.44 -1.26 -4.74 115.22 103.62 1u1c n HIS 101 Ca -0.03 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.31 1u1c n HIS 101 Cb 0.18 -0.25 -0.08 0.00 0.12 0.00 0.00 29.99 29.96 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 -2.58 5.28 0.25 0.61 1.01 -1.03 -5.09 121.20 119.66 1u1c s ILE 102 Ca 0.27 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.49 1u1c s ILE 102 Cb 0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1u1c s ILE 102 CO 0.49 0.32 0.18 0.20 0.00 0.00 0.00 174.94 176.12 1u1c s ASN 103 N 0.87 5.43 0.26 3.58 0.02 -1.26 -4.89 114.94 118.95 1u1c s ASN 103 Ca 0.15 -0.29 -0.31 0.00 -1.02 0.00 0.00 52.86 51.40 1u1c s ASN 103 Cb -0.14 -1.35 -0.11 0.00 0.02 0.00 0.00 41.25 39.67 1u1c s ASN 103 CO 0.05 -0.03 1.60 -0.69 0.02 0.00 0.00 177.10 178.05 1u1c s VAL 104 N -2.15 2.17 0.00 1.60 1.01 -1.26 -2.10 120.40 119.67 1u1c s VAL 104 Ca 0.33 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1u1c s VAL 104 Cb -0.08 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1u1c s VAL 104 CO 0.24 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1u1c n GLY 105 N 2.69 3.25 3.76 4.51 0.00 0.34 -5.02 105.19 114.73 1u1c n GLY 105 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.18 4.94 -0.11 1.61 1.01 -0.89 -4.74 116.67 117.32 1u1c s ASP 106 Ca 0.00 2.02 -0.00 0.00 0.71 0.00 0.00 52.55 55.28 1u1c s ASP 106 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1u1c s ASP 106 CO 0.00 -1.74 -0.09 0.54 0.21 0.00 0.00 175.17 174.08 1u1c s VAL 107 N -2.36 3.43 -0.14 -1.27 0.11 -0.65 -1.13 120.40 118.40 1u1c s VAL 107 Ca 0.67 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1u1c s VAL 107 Cb -0.21 -2.43 -0.01 0.00 -1.53 0.00 0.00 36.38 32.20 1u1c s VAL 107 CO 0.43 0.54 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.84 1u1c s LEU 108 N -0.10 2.60 -0.20 2.54 1.43 -0.01 -1.72 118.68 123.22 1u1c s LEU 108 Ca -0.00 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1u1c s LEU 108 Cb -0.13 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1u1c s LEU 108 CO 0.03 0.13 0.05 -0.69 0.23 0.00 0.00 176.35 176.10 1u1c s VAL 109 N 0.54 4.43 -0.26 -1.59 1.01 -0.33 -1.38 120.40 122.82 1u1c s VAL 109 Ca -0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 1u1c s VAL 109 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1u1c s VAL 109 CO 0.04 0.42 0.41 -0.89 0.00 0.00 0.00 175.10 175.07 1u1c s THR 110 N 0.86 5.15 0.03 3.92 2.01 -0.65 -1.91 115.64 125.05 1u1c s THR 110 Ca 0.03 0.66 -0.16 0.00 0.31 0.00 0.00 61.69 62.52 1u1c s THR 110 Cb -0.14 -3.73 -0.34 0.00 0.01 0.00 0.00 72.50 68.30 1u1c s THR 110 CO 0.02 0.15 1.02 0.71 -0.69 0.00 0.00 174.62 175.84 1u1c h THR 111 N 5.34 1.30 -2.72 -0.82 1.35 -1.56 -3.41 112.91 112.39 1u1c h THR 111 Ca -0.32 -2.61 0.04 0.00 -0.55 0.00 0.00 66.41 62.97 1u1c h THR 111 Cb 1.16 2.96 -0.13 0.00 -1.73 0.00 0.00 68.15 70.41 1u1c h THR 111 CO 0.67 0.78 0.32 0.00 -0.25 0.00 0.00 175.52 177.04 1u1c s ALA 112 N -2.70 -1.66 0.04 6.62 0.00 -1.26 -0.23 121.76 122.57 1u1c s ALA 112 Ca -0.10 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.56 1u1c s ALA 112 Cb 0.04 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1u1c s ALA 112 CO 0.94 -0.77 -0.26 -1.12 0.00 0.00 0.00 175.76 174.54 1u1c s SER 113 N -2.68 3.16 0.00 0.00 0.01 -0.29 -2.17 113.70 111.73 1u1c s SER 113 Ca 0.03 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1u1c s SER 113 Cb -0.01 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1u1c s SER 113 CO -0.10 0.26 1.32 -0.69 0.41 0.00 0.00 173.24 174.45 1u1c s VAL 114 N -0.79 3.86 -1.12 3.43 1.01 0.16 -4.33 120.40 122.63 1u1c s VAL 114 Ca 0.12 1.25 -0.16 0.00 0.00 0.00 0.00 61.98 63.19 1u1c s VAL 114 Cb -0.10 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.62 1u1c s VAL 114 CO 0.02 0.02 1.36 -0.13 0.00 0.00 0.00 175.10 176.37 1u1c s ARG 115 N 2.11 3.90 -0.53 2.72 0.52 -1.26 -1.71 118.95 124.70 1u1c s ARG 115 Ca 0.61 -2.20 0.02 0.00 -0.52 0.00 0.00 55.73 53.64 1u1c s ARG 115 Cb -0.30 -5.07 0.55 0.00 0.52 0.00 0.00 34.95 30.65 1u1c s ARG 115 CO 0.26 -1.83 1.91 1.28 0.02 0.00 0.00 175.30 176.93 1u1c n LEU 116 N 6.34 6.93 -4.55 2.53 4.77 -0.61 -4.96 117.00 127.45 1u1c n LEU 116 Ca 0.33 -3.99 -0.25 0.00 -0.03 0.00 0.00 56.01 52.07 1u1c n LEU 116 Cb 0.45 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 1u1c n LEU 116 CO 0.60 1.31 -0.28 1.51 -1.33 0.00 0.00 177.39 179.20 1u1c s ASP 117 N -1.74 3.24 -0.20 -1.43 -4.77 -1.22 -1.41 116.67 109.14 1u1c s ASP 117 Ca 0.60 -1.38 0.14 0.00 -3.30 0.00 0.00 52.55 48.60 1u1c s ASP 117 Cb 0.49 -0.25 -0.22 0.00 -1.09 0.00 0.00 42.92 41.85 1u1c s ASP 117 CO 0.04 -0.52 0.01 0.61 0.70 0.00 0.00 175.17 176.01 1u1c n GLY 118 N -0.85 -0.80 0.20 2.12 0.00 -1.26 -4.66 105.19 99.93 1u1c n GLY 118 Ca -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 0.73 1.13 -0.31 4.61 0.00 -1.98 -2.93 119.26 120.52 1u1c h ALA 119 Ca -0.51 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.00 1u1c h ALA 119 Cb 2.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1u1c h ALA 119 CO 0.00 0.58 0.21 0.66 0.00 0.00 0.00 179.25 180.70 1u1c h SER 120 N 0.19 0.35 0.59 0.00 4.64 -1.86 -1.53 113.55 115.91 1u1c h SER 120 Ca 0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1u1c h SER 120 Cb 0.80 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1u1c h SER 120 CO 0.06 0.25 0.00 -0.07 -0.87 0.00 0.00 176.83 176.20 1u1c h LEU 121 N 0.41 0.00 -0.02 5.97 3.38 -1.63 -2.01 115.31 121.41 1u1c h LEU 121 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1u1c h LEU 121 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1u1c h LEU 121 CO -0.03 0.00 -0.00 1.41 0.09 0.00 0.00 178.44 179.91 1u1c n HIS 122 N -3.07 0.00 0.00 1.13 8.25 -0.58 -3.82 115.22 117.14 1u1c n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1u1c n HIS 122 Cb 0.20 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.10 0.00 -3.65 4.41 3.01 -0.86 -5.08 117.46 114.19 1u1c n PHE 123 Ca 0.20 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.52 1u1c n PHE 123 Cb 0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.90 -1.47 0.86 4.37 0.00 -0.82 -5.00 121.76 117.81 1u1c s ALA 124 Ca 0.00 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1u1c s ALA 124 Cb 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 23.12 22.50 1u1c s ALA 124 CO 0.00 -0.29 1.17 -1.25 0.00 0.00 0.00 175.76 175.39 1u1c s PRO 125 N -0.06 1.33 0.43 0.00 0.04 -1.26 -3.89 135.00 131.58 1u1c s PRO 125 Ca -0.03 1.63 0.18 0.00 0.04 0.00 0.00 61.00 62.83 1u1c s PRO 125 Cb -0.04 -1.75 1.11 0.00 0.04 0.00 0.00 34.50 33.86 1u1c s PRO 125 CO 0.03 -2.42 1.86 1.25 0.04 0.00 0.00 177.00 177.76 1u1c h LEU 126 N -1.42 0.37 -2.26 -3.56 5.85 -1.93 -1.09 115.31 111.27 1u1c h LEU 126 Ca -0.44 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1u1c h LEU 126 Cb 1.28 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1u1c h LEU 126 CO 0.44 0.15 -0.03 1.05 -0.34 0.00 0.00 178.44 179.71 1u1c h GLU 127 N 0.37 0.00 -6.58 1.25 9.09 -2.03 -3.43 114.58 113.26 1u1c h GLU 127 Ca 0.46 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.34 1u1c h GLU 127 Cb 1.19 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.31 1u1c h GLU 127 CO -0.16 0.03 0.63 0.12 0.05 0.00 0.00 179.01 179.68 1u1c s PHE 128 N -4.04 3.34 0.13 2.06 2.19 -0.41 -4.99 117.98 116.24 1u1c s PHE 128 Ca -0.03 1.19 -0.30 0.00 0.33 0.00 0.00 56.93 58.12 1u1c s PHE 128 Cb 0.12 -3.55 -0.07 0.00 -1.31 0.00 0.00 43.02 38.22 1u1c s PHE 128 CO 0.50 -1.76 1.14 -1.25 1.83 0.00 0.00 175.22 175.68 1u1c s PRO 129 N 0.61 4.52 -1.53 10.12 0.04 -1.26 -4.93 135.00 142.56 1u1c s PRO 129 Ca 0.59 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.26 1u1c s PRO 129 Cb -0.34 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 1u1c s PRO 129 CO 0.33 -0.08 2.58 0.00 0.04 0.00 0.00 177.00 179.87 1u1c n ALA 130 N 3.04 6.55 -2.56 8.56 0.00 -1.26 -4.75 120.51 130.10 1u1c n ALA 130 Ca 0.05 -3.73 -0.38 0.00 0.00 0.00 0.00 53.44 49.38 1u1c n ALA 130 Cb 0.46 -3.43 -0.06 0.00 0.00 0.00 0.00 19.45 16.43 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 2.51 5.10 0.51 0.00 0.11 -1.26 -1.14 120.40 126.24 1u1c s VAL 131 Ca 0.58 0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 60.20 1u1c s VAL 131 Cb 0.16 -3.67 -0.07 0.00 -1.53 0.00 0.00 36.38 31.27 1u1c s VAL 131 CO -0.07 0.58 1.01 0.00 -3.33 0.00 0.00 175.10 173.29 1u1c s ALA 132 N -1.06 2.92 0.30 1.54 0.00 0.67 -4.70 121.76 121.44 1u1c s ALA 132 Ca 0.22 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 1u1c s ALA 132 Cb -0.16 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1u1c s ALA 132 CO 0.12 -0.35 1.39 0.34 0.00 0.00 0.00 175.76 177.26 1u1c s ASP 133 N -2.56 6.66 0.15 0.00 2.15 -0.27 -4.93 116.67 117.86 1u1c s ASP 133 Ca 0.63 2.74 -0.15 0.00 0.43 0.00 0.00 52.55 56.19 1u1c s ASP 133 Cb -0.13 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 1u1c s ASP 133 CO 0.27 -0.66 1.73 0.15 -0.17 0.00 0.00 175.17 176.50 1u1c h PHE 134 N 4.01 0.62 -0.72 -5.34 3.04 -1.95 -1.26 116.94 115.34 1u1c h PHE 134 Ca -0.48 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.39 1u1c h PHE 134 Cb 1.22 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.51 1u1c h PHE 134 CO 0.57 0.50 0.23 0.93 -2.02 0.00 0.00 178.31 178.51 1u1c h GLU 135 N 0.57 1.12 -0.48 1.11 5.08 -1.96 -0.51 114.58 119.52 1u1c h GLU 135 Ca 0.15 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1u1c h GLU 135 Cb 0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1u1c h GLU 135 CO -0.02 0.96 -0.10 0.00 -1.00 0.00 0.00 179.01 178.85 1u1c h THR 137 N 0.76 1.24 -0.31 0.00 2.02 -1.08 -1.74 112.91 113.80 1u1c h THR 137 Ca 0.12 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1u1c h THR 137 Cb 0.64 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1u1c h THR 137 CO 0.04 0.29 0.16 0.74 0.37 0.00 0.00 175.52 177.12 1u1c h THR 138 N 0.64 0.99 -0.55 3.16 2.02 -1.00 -0.89 112.91 117.28 1u1c h THR 138 Ca 0.15 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1u1c h THR 138 Cb 0.32 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1u1c h THR 138 CO 0.00 0.06 0.21 0.00 0.37 0.00 0.00 175.52 176.16 1u1c h ALA 139 N 1.16 1.33 -0.07 6.16 0.00 -1.12 0.43 119.26 127.14 1u1c h ALA 139 Ca 0.13 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1u1c h ALA 139 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1u1c h ALA 139 CO -0.09 0.50 -0.69 -0.07 0.00 0.00 0.00 179.25 178.90 1u1c h LEU 140 N 0.80 0.38 -0.13 0.00 3.38 -1.01 -0.65 115.31 118.08 1u1c h LEU 140 Ca 0.19 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 1u1c h LEU 140 Cb 0.18 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1u1c h LEU 140 CO -0.02 0.96 -0.69 0.58 0.09 0.00 0.00 178.44 179.36 1u1c h VAL 141 N 0.22 1.31 -0.64 1.22 2.07 -0.84 -2.30 116.25 117.29 1u1c h VAL 141 Ca -0.02 -1.94 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 1u1c h VAL 141 Cb 1.25 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1u1c h VAL 141 CO 0.11 0.60 0.06 -0.33 0.02 0.00 0.00 177.57 178.04 1u1c h GLU 142 N 0.38 1.08 0.00 1.57 5.08 -0.92 -2.94 114.58 118.82 1u1c h GLU 142 Ca -0.05 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1u1c h GLU 142 Cb 1.33 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1u1c h GLU 142 CO 0.14 1.01 -0.44 0.00 -1.00 0.00 0.00 179.01 178.72 1u1c h ALA 143 N 1.06 1.25 -0.43 3.43 0.00 -1.13 -2.04 119.26 121.39 1u1c h ALA 143 Ca 0.19 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1u1c h ALA 143 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1u1c h ALA 143 CO 0.02 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.83 1u1c h ALA 144 N 1.56 1.20 0.00 0.00 0.00 -1.24 -2.52 119.26 118.26 1u1c h ALA 144 Ca -0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1u1c h ALA 144 Cb 0.79 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1u1c h ALA 144 CO 0.06 0.53 -0.85 1.57 0.00 0.00 0.00 179.25 180.55 1u1c h LYS 145 N 0.66 0.05 -0.83 0.00 5.09 -1.39 -1.58 116.57 118.58 1u1c h LYS 145 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 60.65 60.79 1u1c h LYS 145 Cb 0.40 0.02 -0.04 0.00 0.10 0.00 0.00 32.23 32.71 1u1c h LYS 145 CO 0.01 0.87 0.43 1.03 -2.09 0.00 0.00 179.45 179.70 1u1c h SER 146 N 0.03 1.05 0.56 7.07 0.87 -0.96 -2.75 113.55 119.42 1u1c h SER 146 Ca -0.02 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1u1c h SER 146 Cb 1.49 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1u1c h SER 146 CO 0.12 0.87 -0.98 2.30 -0.53 0.00 0.00 176.83 178.60 1u1c n ILE 147 N -4.36 0.24 -1.73 2.23 -5.35 -1.03 -5.02 119.36 104.35 1u1c n ILE 147 Ca 0.08 -0.29 -0.01 0.00 -0.27 0.00 0.00 62.75 62.26 1u1c n ILE 147 Cb 0.12 0.08 0.01 0.00 -1.74 0.00 0.00 39.64 38.10 1u1c n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1c n GLY 148 N 1.34 0.68 3.65 3.28 0.00 -0.85 -5.09 105.19 108.21 1u1c n GLY 148 Ca 0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.03 3.18 -0.20 4.61 0.00 -0.65 -5.04 121.76 120.63 1u1c s ALA 149 Ca 0.04 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1u1c s ALA 149 Cb -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1u1c s ALA 149 CO 0.07 0.47 1.38 0.99 0.00 0.00 0.00 175.76 178.67 1u1c s THR 150 N -1.75 4.07 -0.02 0.00 2.01 -1.26 -4.78 115.64 113.91 1u1c s THR 150 Ca 0.27 1.26 0.07 0.00 0.31 0.00 0.00 61.69 63.60 1u1c s THR 150 Cb -0.09 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1u1c s THR 150 CO 0.18 -0.24 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.75 1u1c s THR 151 N 4.07 1.80 -0.06 -0.82 2.01 -1.26 -1.63 115.64 119.75 1u1c s THR 151 Ca 0.60 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1u1c s THR 151 Cb -0.22 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.79 1u1c s THR 151 CO 0.21 0.50 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.44 1u1c s HIS 152 N -0.55 2.02 -0.12 4.92 3.76 -0.70 -4.99 115.29 119.63 1u1c s HIS 152 Ca 0.09 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1u1c s HIS 152 Cb -0.09 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 1u1c s HIS 152 CO -0.01 -0.25 -0.14 0.08 -0.85 0.00 0.00 174.74 173.57 1u1c s VAL 153 N 0.16 2.95 -2.19 -0.90 1.01 -1.26 -1.18 120.40 118.97 1u1c s VAL 153 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1u1c s VAL 153 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1u1c s VAL 153 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1u1c n GLY 154 N 3.46 -0.63 3.83 4.51 0.00 -0.80 -4.99 105.19 110.56 1u1c n GLY 154 Ca -0.18 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.71 4.89 -0.03 1.61 1.01 -1.26 -1.39 120.40 121.51 1u1c s VAL 155 Ca 0.00 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1u1c s VAL 155 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1u1c s VAL 155 CO 0.00 0.50 -0.24 -0.89 0.00 0.00 0.00 175.10 174.46 1u1c s THR 156 N -1.17 2.16 -0.32 3.92 2.01 -0.92 -1.02 115.64 120.30 1u1c s THR 156 Ca 0.29 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 1u1c s THR 156 Cb -0.17 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1u1c s THR 156 CO 0.17 0.58 0.61 0.00 -0.69 0.00 0.00 174.62 175.28 1u1c s ALA 157 N -0.49 3.51 -0.36 7.40 0.00 -0.14 0.38 121.76 132.06 1u1c s ALA 157 Ca 0.06 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1u1c s ALA 157 Cb -0.11 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 19.96 1u1c s ALA 157 CO 0.00 -1.12 0.17 0.45 0.00 0.00 0.00 175.76 175.26 1u1c s SER 158 N 1.68 5.56 -0.03 0.00 0.15 -0.69 -2.07 113.70 118.29 1u1c s SER 158 Ca 0.24 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.81 1u1c s SER 158 Cb -0.15 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1u1c s SER 158 CO 0.12 -0.37 -0.01 -0.55 1.20 0.00 0.00 173.24 173.63 1u1c s SER 159 N 1.51 5.05 0.00 5.45 0.15 0.29 -1.57 113.70 124.59 1u1c s SER 159 Ca 0.00 0.02 0.25 0.00 0.70 0.00 0.00 55.95 56.93 1u1c s SER 159 Cb -0.19 -1.33 1.43 0.00 -1.71 0.00 0.00 66.02 64.21 1u1c s SER 159 CO 0.05 0.32 1.85 0.47 1.20 0.00 0.00 173.24 177.13 1u1c n ASP 160 N 1.73 0.00 -3.95 5.45 9.92 -0.50 -4.34 116.55 124.85 1u1c n ASP 160 Ca -0.16 -0.58 -0.09 0.00 -0.53 0.00 0.00 54.79 53.42 1u1c n ASP 160 Cb 0.53 -0.08 -0.10 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.16 0.12 0.05 -3.53 -1.32 -1.26 -5.02 115.64 102.51 1u1c s THR 161 Ca 0.34 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.88 1u1c s THR 161 Cb 0.17 -0.53 -0.24 0.00 -1.51 0.00 0.00 72.50 70.38 1u1c s THR 161 CO 0.32 -0.54 1.03 0.15 -2.21 0.00 0.00 174.62 173.37 1u1c h PHE 162 N 4.24 0.20 0.00 9.09 3.57 -1.97 -3.39 116.94 128.69 1u1c h PHE 162 Ca -0.32 -0.15 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 39.93 1u1c h PHE 162 CO 0.61 1.15 0.00 0.66 -2.23 0.00 0.00 178.31 178.50 1u1c n TYR 163 N -3.35 0.00 -0.02 0.41 4.02 -1.26 -4.34 117.16 112.61 1u1c n TYR 163 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.77 1u1c n TYR 163 Cb 1.00 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.53 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 0.58 0.00 -0.72 0.13 -1.87 0.14 132.00 130.26 1u1c h PRO 164 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1u1c h PRO 164 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1u1c h PRO 164 CO 0.00 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 1u1c n GLY 165 N -0.57 -1.16 0.54 1.56 0.00 -1.26 -1.44 105.19 102.86 1u1c n GLY 165 Ca 0.01 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.48 2.26 -4.03 1.61 6.02 -0.79 -4.92 117.38 116.05 1u1c n GLN 166 Ca 0.05 -2.70 -0.31 0.00 -0.01 0.00 0.00 57.00 54.04 1u1c n GLN 166 Cb 0.22 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 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 -0.86 -1.96 -3.45 -1.09 2.13 -0.52 -4.94 120.64 109.94 1u1c n GLU 167 Ca 0.19 0.28 -0.37 0.00 0.66 0.00 0.00 57.16 57.92 1u1c n GLU 167 Cb 0.77 -3.94 -0.07 0.00 0.27 0.00 0.00 31.44 28.47 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 -6.81 4.28 0.00 5.31 0.52 0.42 -4.96 118.95 117.71 1u1c s ARG 168 Ca 0.14 0.23 0.15 0.00 -0.52 0.00 0.00 55.73 55.74 1u1c s ARG 168 Cb -0.06 -3.43 -0.11 0.00 0.52 0.00 0.00 34.95 31.87 1u1c s ARG 168 CO 0.93 0.21 0.72 0.66 0.02 0.00 0.00 175.30 177.83 1u1c n TYR 169 N 3.59 0.00 -1.53 -0.53 4.02 -1.26 -4.32 117.16 117.13 1u1c n TYR 169 Ca -0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.38 1u1c n TYR 169 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.82 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 -0.92 6.29 -2.22 7.72 5.75 -1.26 -4.28 116.55 127.63 1u1c n ASP 170 Ca 0.04 -2.71 -0.08 0.00 -0.01 0.00 0.00 54.79 52.03 1u1c n ASP 170 Cb 0.27 -1.61 -0.02 0.00 -1.03 0.00 0.00 41.12 38.73 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 4.35 0.00 -0.04 2.12 -2.24 -1.26 -5.03 114.28 112.18 1u1c n THR 171 Ca 0.65 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1u1c n THR 171 Cb 0.31 0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.23 0.29 0.00 4.78 5.03 -1.99 -3.31 116.97 123.01 1u1c h TYR 172 Ca -0.10 -0.09 -0.20 0.00 2.58 0.00 0.00 58.73 60.92 1u1c h TYR 172 Cb 0.40 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 1u1c h TYR 172 CO 0.00 0.66 -1.16 0.66 -1.32 0.00 0.00 178.16 177.00 1u1c h SER 173 N -0.17 0.00 -0.17 -2.11 4.64 -1.98 -3.48 113.55 110.29 1u1c h SER 173 Ca 0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1u1c h SER 173 Cb 0.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1u1c h SER 173 CO 0.02 0.83 -0.07 0.61 -0.87 0.00 0.00 176.83 177.35 1u1c n GLY 174 N 1.39 0.62 3.45 -0.77 0.00 -1.25 -5.01 105.19 103.61 1u1c n GLY 174 Ca -0.06 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.63 1.60 -0.07 1.61 1.70 -1.26 -4.91 118.95 115.98 1u1c s ARG 175 Ca 0.00 -1.56 0.02 0.00 -0.47 0.00 0.00 55.73 53.73 1u1c s ARG 175 Cb 0.00 -1.86 0.01 0.00 -0.57 0.00 0.00 34.95 32.54 1u1c s ARG 175 CO 0.00 0.39 -0.14 0.08 -1.08 0.00 0.00 175.30 174.55 1u1c s VAL 176 N -1.86 1.29 0.46 4.99 1.01 -1.26 -4.90 120.40 120.13 1u1c s VAL 176 Ca 0.23 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1u1c s VAL 176 Cb -0.07 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1u1c s VAL 176 CO 0.11 0.39 0.95 0.55 0.00 0.00 0.00 175.10 177.10 1u1c n VAL 177 N 3.81 2.60 -0.31 2.92 3.14 -1.26 -4.57 118.33 124.67 1u1c n VAL 177 Ca -0.22 -0.50 0.16 0.00 -2.96 0.00 0.00 64.34 60.82 1u1c n VAL 177 Cb 0.52 -1.10 0.33 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 1.24 0.16 -0.62 1.45 2.43 -2.00 -0.24 114.38 116.79 1u1c h ARG 178 Ca -0.45 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.77 1u1c h ARG 178 Cb 1.35 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1u1c h ARG 178 CO 0.55 0.10 0.41 1.25 -1.51 0.00 0.00 179.97 180.77 1u1c h HIS 179 N 0.16 0.62 -0.02 2.20 2.76 -2.02 -2.41 115.15 116.44 1u1c h HIS 179 Ca 0.60 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 1u1c h HIS 179 Cb 1.27 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1u1c h HIS 179 CO -0.27 0.33 -0.09 1.19 -1.30 0.00 0.00 177.93 177.79 1u1c n PHE 180 N -4.48 0.00 -1.92 5.26 3.01 -0.18 -4.80 117.46 114.35 1u1c n PHE 180 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.13 1u1c n PHE 180 Cb 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.85 4.19 -1.00 -1.08 1.02 -0.73 -2.01 119.74 118.28 1u1c s LYS 181 Ca 0.23 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.55 1u1c s LYS 181 Cb 0.17 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1u1c s LYS 181 CO 0.31 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 1u1c n GLY 182 N 4.02 1.09 0.19 -3.33 0.00 -1.26 -4.93 105.19 100.97 1u1c n GLY 182 Ca 0.16 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 0.89 -0.67 1.61 4.64 -1.72 -3.14 113.55 115.16 1u1c h SER 183 Ca -0.19 -0.75 0.03 0.00 -0.47 0.00 0.00 61.79 60.41 1u1c h SER 183 Cb 0.69 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1u1c h SER 183 CO 0.28 1.52 0.41 -0.03 -0.87 0.00 0.00 176.83 178.14 1u1c h MET 184 N 0.35 0.78 -0.93 4.77 -1.53 -1.92 -1.10 114.93 115.34 1u1c h MET 184 Ca -0.13 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.09 1u1c h MET 184 Cb 1.68 -0.18 -0.05 0.00 -0.55 0.00 0.00 31.60 32.51 1u1c h MET 184 CO 0.20 0.51 0.61 1.49 0.14 0.00 0.00 176.91 179.87 1u1c h GLU 185 N 0.80 1.23 -0.12 0.39 4.81 -1.97 0.18 114.58 119.90 1u1c h GLU 185 Ca 0.27 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1u1c h GLU 185 Cb 0.03 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1u1c h GLU 185 CO -0.11 0.82 0.05 0.93 -0.73 0.00 0.00 179.01 179.97 1u1c h GLU 186 N 1.27 0.17 -0.73 1.92 4.39 -1.35 -1.78 114.58 118.46 1u1c h GLU 186 Ca 0.34 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 1u1c h GLU 186 Cb -0.14 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1u1c h GLU 186 CO -0.07 0.24 0.33 -1.49 -1.16 0.00 0.00 179.01 176.86 1u1c h TRP 187 N 0.06 1.05 -0.45 4.33 -0.00 -0.94 -1.99 115.95 118.01 1u1c h TRP 187 Ca 0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1u1c h TRP 187 Cb 0.13 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 28.94 1u1c h TRP 187 CO -0.03 0.77 0.28 1.96 -0.00 0.00 0.00 178.44 181.43 1u1c h GLN 188 N 1.04 0.60 0.00 0.49 4.20 -0.81 -1.33 115.11 119.30 1u1c h GLN 188 Ca 0.25 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1u1c h GLN 188 Cb 0.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1u1c h GLN 188 CO -0.03 0.43 -0.25 0.00 -0.67 0.00 0.00 178.83 178.30 1u1c h ALA 189 N 1.14 1.33 -0.08 3.87 0.00 -1.05 -2.48 119.26 121.98 1u1c h ALA 189 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u1c h ALA 189 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1u1c h ALA 189 CO -0.03 0.32 0.00 -1.33 0.00 0.00 0.00 179.25 178.21 1u1c n MET 190 N -3.87 1.45 -0.84 0.00 2.81 -0.77 -4.91 117.12 110.99 1u1c n MET 190 Ca -0.02 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 1u1c n MET 190 Cb 0.34 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.03 0.61 3.73 3.03 0.00 -0.93 -5.02 105.19 107.65 1u1c n GLY 191 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.17 2.25 0.01 1.61 1.01 -0.55 -4.61 120.40 117.94 1u1c s VAL 192 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1u1c s VAL 192 Cb 0.00 -3.12 -0.31 0.00 0.00 0.00 0.00 36.38 32.95 1u1c s VAL 192 CO 0.00 0.02 0.89 0.24 0.00 0.00 0.00 175.10 176.25 1u1c h MET 193 N 5.91 0.37 -2.66 2.72 0.00 -1.39 -3.42 114.93 116.47 1u1c h MET 193 Ca -0.45 -0.63 0.13 0.00 0.00 0.00 0.00 59.70 58.75 1u1c h MET 193 Cb 1.21 0.24 -0.07 0.00 0.00 0.00 0.00 31.60 32.98 1u1c h MET 193 CO 0.87 1.27 0.36 0.54 0.00 0.00 0.00 176.91 179.95 1u1c s ASN 194 N -7.25 -0.22 -0.09 1.22 6.03 -1.26 -0.62 114.94 112.75 1u1c s ASN 194 Ca -0.10 -0.50 0.03 0.00 -1.03 0.00 0.00 52.86 51.26 1u1c s ASN 194 Cb 0.06 0.60 -0.01 0.00 -3.03 0.00 0.00 41.25 38.87 1u1c s ASN 194 CO 0.88 -1.11 -0.18 -0.31 -2.03 0.00 0.00 177.10 174.35 1u1c s TYR 195 N -3.59 2.66 0.00 1.54 4.12 -0.08 -0.97 117.35 121.04 1u1c s TYR 195 Ca 0.12 -0.65 0.00 0.00 0.02 0.00 0.00 57.07 56.56 1u1c s TYR 195 Cb -0.04 -1.73 0.00 0.00 -1.52 0.00 0.00 41.96 38.68 1u1c s TYR 195 CO 0.04 -0.18 0.00 -0.85 0.02 0.00 0.00 175.55 174.58 1u1c n GLU 196 N 3.18 0.00 0.00 -0.62 -0.00 -0.88 -2.49 120.64 119.83 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 0.73 0.00 3.44 2.81 -1.26 -0.55 117.12 122.29 1u1c n MET 197 Ca 0.00 -0.70 0.00 0.00 -1.81 0.00 0.00 57.70 55.19 1u1c n MET 197 Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 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 -0.13 2.53 -0.15 0.03 4.71 -1.26 -3.41 120.64 122.96 1u1c n GLU 198 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1u1c n GLU 198 Cb 0.37 -0.77 -0.00 0.00 -1.01 0.00 0.00 31.44 30.03 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 0.60 -0.34 1.62 4.64 -1.95 -2.44 113.55 115.68 1u1c h SER 199 Ca 0.00 -0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1u1c h SER 199 Cb 0.21 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 1u1c h SER 199 CO 0.00 0.61 -0.00 0.00 -0.87 0.00 0.00 176.83 176.57 1u1c h ALA 200 N 1.02 0.31 0.18 5.18 0.00 -1.87 0.19 119.26 124.26 1u1c h ALA 200 Ca 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1u1c h ALA 200 Cb 0.19 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1u1c h ALA 200 CO -0.01 -0.40 -0.08 1.15 0.00 0.00 0.00 179.25 179.90 1u1c h THR 201 N 0.09 0.88 0.21 0.00 2.02 -1.91 -1.97 112.91 112.24 1u1c h THR 201 Ca 0.17 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1u1c h THR 201 Cb 0.23 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1u1c h THR 201 CO -0.28 0.05 -0.23 0.25 0.37 0.00 0.00 175.52 175.68 1u1c h LEU 202 N -0.35 -0.63 -0.61 2.58 5.85 -1.11 -1.23 115.31 119.81 1u1c h LEU 202 Ca -0.02 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1u1c h LEU 202 Cb 0.27 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1u1c h LEU 202 CO 0.04 -0.34 0.30 -0.07 -0.34 0.00 0.00 178.44 178.03 1u1c h LEU 203 N -0.49 0.80 0.23 2.25 3.38 -0.68 -1.80 115.31 119.00 1u1c h LEU 203 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1u1c h LEU 203 Cb 0.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1u1c h LEU 203 CO -0.07 0.70 -0.11 0.74 0.09 0.00 0.00 178.44 179.79 1u1c h THR 204 N 0.84 0.84 -0.08 0.22 2.02 -1.27 -0.65 112.91 114.82 1u1c h THR 204 Ca 0.21 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1u1c h THR 204 Cb 0.11 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1u1c h THR 204 CO -0.03 0.10 -0.08 0.00 0.37 0.00 0.00 175.52 175.88 1u1c h MET 205 N -0.54 0.12 0.10 6.66 -0.00 -1.20 -2.01 114.93 118.06 1u1c h MET 205 Ca -0.03 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.70 59.50 1u1c h MET 205 Cb 0.40 -0.02 0.02 0.00 -0.00 0.00 0.00 31.60 32.00 1u1c h MET 205 CO 0.05 0.21 -0.64 0.00 -0.00 0.00 0.00 176.91 176.53 1u1c h ALA 207 N 0.10 1.19 -0.25 0.00 0.00 -1.01 0.09 119.26 119.38 1u1c h ALA 207 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u1c h ALA 207 Cb 1.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1u1c h ALA 207 CO 0.12 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1u1c n SER 208 N -3.51 2.99 -0.07 0.00 3.41 -0.77 -4.32 113.62 111.35 1u1c n SER 208 Ca -0.01 -1.93 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 1u1c n SER 208 Cb 0.27 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.23 1.18 -1.35 4.33 6.02 -1.00 -5.01 117.38 122.79 1u1c n GLN 209 Ca 0.18 -1.13 -0.05 0.00 -0.01 0.00 0.00 57.00 55.99 1u1c n GLN 209 Cb 0.55 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.33 0.63 3.73 1.08 0.00 -1.04 -5.03 105.19 104.23 1u1c n GLY 210 Ca 0.02 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.18 3.73 -0.08 0.99 1.43 -0.02 -5.05 118.68 118.50 1u1c s LEU 211 Ca 0.00 0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 1u1c s LEU 211 Cb 0.00 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1u1c s LEU 211 CO 0.00 0.34 0.61 -0.13 0.23 0.00 0.00 176.35 177.40 1u1c s ARG 212 N -1.21 4.40 -0.01 1.70 0.52 -0.63 -3.88 118.95 119.83 1u1c s ARG 212 Ca 0.17 0.71 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 1u1c s ARG 212 Cb -0.12 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 31.92 1u1c s ARG 212 CO 0.07 0.11 -0.03 0.00 0.02 0.00 0.00 175.30 175.47 1u1c s ALA 213 N 0.68 0.36 0.15 2.13 0.00 -1.26 -0.11 121.76 123.71 1u1c s ALA 213 Ca 0.33 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.29 1u1c s ALA 213 Cb -0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1u1c s ALA 213 CO 0.15 0.04 -0.20 0.20 0.00 0.00 0.00 175.76 175.95 1u1c s GLY 214 N 0.23 1.39 -0.07 0.00 0.00 0.34 -1.11 107.32 108.10 1u1c s GLY 214 Ca -0.02 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 1u1c s GLY 214 CO -0.00 -1.47 -0.02 -0.29 0.00 0.00 0.00 173.10 171.32 1u1c s MET 215 N -2.51 0.72 0.02 2.90 1.75 -1.26 -1.03 119.30 119.89 1u1c s MET 215 Ca 0.13 0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.62 1u1c s MET 215 Cb -0.07 -0.97 -0.01 0.00 2.84 0.00 0.00 34.83 36.61 1u1c s MET 215 CO 0.06 -0.24 -0.05 0.54 -0.65 0.00 0.00 175.02 174.68 1u1c s VAL 216 N 1.67 0.37 -0.02 10.11 0.11 -0.71 -1.63 120.40 130.30 1u1c s VAL 216 Ca 0.01 -0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 58.31 1u1c s VAL 216 Cb -0.13 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1u1c s VAL 216 CO -0.04 -0.20 0.19 0.00 -3.33 0.00 0.00 175.10 171.72 1u1c s ALA 217 N -0.84 -0.46 -0.16 1.54 0.00 -0.48 -1.12 121.76 120.24 1u1c s ALA 217 Ca -0.06 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1u1c s ALA 217 Cb -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 1u1c s ALA 217 CO -0.00 -0.19 0.27 0.20 0.00 0.00 0.00 175.76 176.03 1u1c s GLY 218 N -1.00 2.19 -0.31 0.00 0.00 -0.86 -0.83 107.32 106.51 1u1c s GLY 218 Ca -0.11 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1u1c s GLY 218 CO 0.02 0.34 1.15 0.14 0.00 0.00 0.00 173.10 174.75 1u1c s VAL 219 N 0.32 4.38 -0.20 1.40 1.01 -0.28 -2.32 120.40 124.71 1u1c s VAL 219 Ca 0.15 1.58 0.14 0.00 0.00 0.00 0.00 61.98 63.86 1u1c s VAL 219 Cb -0.13 -4.32 -0.20 0.00 0.00 0.00 0.00 36.38 31.73 1u1c s VAL 219 CO 0.03 -0.48 0.38 2.30 0.00 0.00 0.00 175.10 177.34 1u1c n ILE 220 N 5.97 0.00 -3.80 2.22 -5.35 -1.08 -0.51 119.36 116.81 1u1c n ILE 220 Ca 0.13 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1u1c n ILE 220 Cb 0.47 0.41 -0.10 0.00 -1.74 0.00 0.00 39.64 38.68 1u1c n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1c s VAL 221 N -2.78 0.04 -0.17 7.28 0.11 -1.23 -4.45 120.40 119.19 1u1c s VAL 221 Ca -0.02 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1u1c s VAL 221 Cb 0.09 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1u1c s VAL 221 CO 0.58 -0.20 -0.16 0.21 -3.33 0.00 0.00 175.10 172.19 1u1c s ASN 222 N -0.84 3.49 0.11 3.54 3.84 -1.26 -1.14 114.94 122.69 1u1c s ASN 222 Ca -0.09 -0.54 0.17 0.00 0.21 0.00 0.00 52.86 52.60 1u1c s ASN 222 Cb -0.05 -1.54 0.73 0.00 -0.55 0.00 0.00 41.25 39.84 1u1c s ASN 222 CO 0.02 0.03 1.53 0.54 -2.79 0.00 0.00 177.10 176.43 1u1c n ARG 223 N 4.40 0.08 0.00 0.43 5.12 0.23 -1.57 116.66 125.34 1u1c n ARG 223 Ca -0.20 0.35 0.12 0.00 -1.93 0.00 0.00 57.85 56.20 1u1c n ARG 223 Cb 0.51 -1.66 0.20 0.00 -1.16 0.00 0.00 32.46 30.34 1u1c n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1u1c n THR 224 N -1.81 0.00 0.00 0.55 -2.24 -1.26 -4.63 114.28 104.89 1u1c n THR 224 Ca 0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1u1c n THR 224 Cb 0.17 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1u1c n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1c n GLN 225 N -0.28 0.00 -3.83 -0.78 10.64 -0.82 -5.08 117.38 117.23 1u1c n GLN 225 Ca 0.11 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.19 1u1c n GLN 225 Cb 0.41 -0.77 -0.05 0.00 -0.86 0.00 0.00 30.24 28.97 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 -1.74 1.26 -0.08 2.61 0.00 -0.61 -5.07 119.66 116.02 1u1c s GLN 226 Ca 0.00 -0.99 -0.00 0.00 -0.00 0.00 0.00 55.36 54.37 1u1c s GLN 226 Cb 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 33.01 33.41 1u1c s GLN 226 CO 0.00 -0.50 -0.08 0.39 0.00 0.00 0.00 175.29 175.10 1u1c n GLU 227 N -0.28 0.20 -2.83 9.60 -0.58 -1.26 -4.14 120.64 121.35 1u1c n GLU 227 Ca -0.09 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 1u1c n GLU 227 Cb 0.63 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 30.34 1u1c n GLU 227 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1u1c s ILE 228 N -2.16 4.82 0.23 -3.67 1.01 -1.26 -5.00 121.20 115.17 1u1c s ILE 228 Ca -0.11 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1u1c s ILE 228 Cb 0.03 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 1u1c s ILE 228 CO 0.18 -0.04 1.31 -2.16 0.00 0.00 0.00 174.94 174.24 1u1c s PRO 229 N 2.51 4.39 0.44 2.79 0.04 -1.26 -5.00 135.00 138.90 1u1c s PRO 229 Ca 0.39 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 63.29 1u1c s PRO 229 Cb -0.16 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 1u1c s PRO 229 CO 0.10 -0.23 1.14 1.21 0.04 0.00 0.00 177.00 179.26 1u1c s ASN 230 N 0.15 6.37 0.08 6.66 2.47 -1.26 -4.98 114.94 124.42 1u1c s ASN 230 Ca 0.55 2.24 -0.16 0.00 0.42 0.00 0.00 52.86 55.91 1u1c s ASN 230 Cb -0.37 -2.60 -0.11 0.00 -1.45 0.00 0.00 41.25 36.71 1u1c s ASN 230 CO 0.41 -0.77 1.37 0.00 -3.72 0.00 0.00 177.10 174.39 1u1c h ALA 231 N 2.24 0.34 -0.01 1.71 0.00 -2.00 -2.62 119.26 118.92 1u1c h ALA 231 Ca -0.49 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1u1c h ALA 231 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u1c h ALA 231 CO 0.61 0.36 -0.05 1.49 0.00 0.00 0.00 179.25 181.66 1u1c h GLU 232 N 0.29 0.06 -0.43 0.00 4.22 -2.03 -3.35 114.58 113.34 1u1c h GLU 232 Ca 0.03 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 1u1c h GLU 232 Cb 0.88 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1u1c h GLU 232 CO 0.07 0.69 -0.08 1.15 -2.18 0.00 0.00 179.01 178.66 1u1c h THR 233 N -0.56 1.25 -0.82 0.32 2.02 -1.98 -3.22 112.91 109.91 1u1c h THR 233 Ca -0.00 -1.11 0.19 0.00 0.77 0.00 0.00 66.41 66.25 1u1c h THR 233 Cb 0.70 1.01 -0.12 0.00 -1.74 0.00 0.00 68.15 68.00 1u1c h THR 233 CO 0.01 0.38 0.29 0.24 0.37 0.00 0.00 175.52 176.81 1u1c h MET 234 N 0.69 0.34 -0.04 6.66 2.86 -1.59 -0.53 114.93 123.32 1u1c h MET 234 Ca 0.12 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1u1c h MET 234 Cb 0.54 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1u1c h MET 234 CO 0.03 0.23 -0.56 0.87 1.06 0.00 0.00 176.91 178.54 1u1c h LYS 235 N 0.35 0.12 -0.25 1.72 6.56 -1.73 -2.53 116.57 120.82 1u1c h LYS 235 Ca 0.48 -0.08 -0.11 0.00 -1.06 0.00 0.00 60.65 59.89 1u1c h LYS 235 Cb 0.86 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1u1c h LYS 235 CO -0.51 0.65 -0.28 1.96 -2.06 0.00 0.00 179.45 179.20 1u1c h GLN 236 N 0.09 0.62 -0.16 3.15 4.20 -1.21 -1.15 115.11 120.66 1u1c h GLN 236 Ca -0.00 -0.34 -0.14 0.00 0.06 0.00 0.00 58.65 58.22 1u1c h GLN 236 Cb 1.01 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1u1c h GLN 236 CO 0.08 0.95 -0.51 1.79 -0.67 0.00 0.00 178.83 180.46 1u1c h THR 237 N 0.33 1.33 -0.51 -0.54 1.35 -1.47 -2.94 112.91 110.47 1u1c h THR 237 Ca 0.03 -1.76 -0.03 0.00 -0.55 0.00 0.00 66.41 64.11 1u1c h THR 237 Cb 0.85 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 1u1c h THR 237 CO 0.07 0.54 0.21 -0.08 -0.25 0.00 0.00 175.52 176.01 1u1c h GLU 238 N 0.35 0.75 -0.29 4.72 4.81 -1.40 -2.27 114.58 121.25 1u1c h GLU 238 Ca 0.01 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1u1c h GLU 238 Cb 1.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1u1c h GLU 238 CO 0.09 0.66 0.18 1.03 -0.73 0.00 0.00 179.01 180.24 1u1c h SER 239 N 0.68 0.30 -0.38 1.04 0.87 -1.16 -0.76 113.55 114.15 1u1c h SER 239 Ca 0.17 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1u1c h SER 239 Cb 0.18 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1u1c h SER 239 CO -0.02 0.22 0.01 0.45 -0.53 0.00 0.00 176.83 176.96 1u1c h HIS 240 N 0.37 0.73 -0.48 2.24 3.86 -1.49 -1.77 115.15 118.62 1u1c h HIS 240 Ca 0.11 -0.12 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1u1c h HIS 240 Cb -0.02 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1u1c h HIS 240 CO -0.07 0.75 -0.21 0.00 0.86 0.00 0.00 177.93 179.26 1u1c h ALA 241 N 0.88 0.71 -0.29 2.45 0.00 -1.34 -2.42 119.26 119.25 1u1c h ALA 241 Ca 0.11 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1u1c h ALA 241 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u1c h ALA 241 CO 0.02 0.67 -0.28 0.28 0.00 0.00 0.00 179.25 179.94 1u1c h VAL 242 N 0.84 1.28 -0.45 0.00 2.07 -1.12 -2.54 116.25 116.34 1u1c h VAL 242 Ca 0.11 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 1u1c h VAL 242 Cb 0.79 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1u1c h VAL 242 CO 0.07 0.44 0.00 0.11 0.02 0.00 0.00 177.57 178.21 1u1c h LYS 243 N 0.52 0.73 -0.29 1.57 1.57 -1.20 -2.79 116.57 116.68 1u1c h LYS 243 Ca 0.07 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1u1c h LYS 243 Cb 0.75 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1u1c h LYS 243 CO 0.06 0.74 -0.10 0.82 -0.57 0.00 0.00 179.45 180.40 1u1c h ILE 244 N 0.69 1.29 -0.35 1.86 2.04 -1.20 -1.96 117.51 119.87 1u1c h ILE 244 Ca 0.14 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1u1c h ILE 244 Cb 0.42 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1u1c h ILE 244 CO 0.02 0.37 -0.04 1.62 0.00 0.00 0.00 178.15 180.12 1u1c h VAL 245 N 0.34 1.22 -0.21 1.67 3.04 -1.39 0.18 116.25 121.10 1u1c h VAL 245 Ca 0.07 -0.90 -0.13 0.00 -1.01 0.00 0.00 66.70 64.73 1u1c h VAL 245 Cb 0.60 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1u1c h VAL 245 CO 0.03 0.31 -0.38 0.58 -1.01 0.00 0.00 177.57 177.10 1u1c h VAL 246 N 0.53 1.33 -0.23 1.51 2.07 -1.50 -2.11 116.25 117.86 1u1c h VAL 246 Ca 0.11 -1.61 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 1u1c h VAL 246 Cb 0.41 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1u1c h VAL 246 CO 0.02 0.50 -0.22 -0.08 0.02 0.00 0.00 177.57 177.81 1u1c h GLU 247 N 0.31 0.41 -0.11 1.57 4.57 -1.04 -2.34 114.58 117.95 1u1c h GLU 247 Ca 0.01 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 57.92 1u1c h GLU 247 Cb 0.98 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1u1c h GLU 247 CO 0.09 0.62 -0.52 0.00 -1.18 0.00 0.00 179.01 178.01 1u1c h ALA 248 N 1.40 0.91 -0.42 2.92 0.00 -0.63 -2.98 119.26 120.45 1u1c h ALA 248 Ca 0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1u1c h ALA 248 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1u1c h ALA 248 CO 0.04 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.95 1u1c h ALA 249 N 1.22 1.18 -0.88 0.00 0.00 -1.01 -2.85 119.26 116.92 1u1c h ALA 249 Ca 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1u1c h ALA 249 Cb 1.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1u1c h ALA 249 CO 0.08 0.53 0.57 0.00 0.00 0.00 0.00 179.25 180.44 1u1c h ARG 250 N 0.65 1.08 0.00 0.00 3.08 -1.28 -2.06 114.38 115.85 1u1c h ARG 250 Ca 0.13 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1u1c h ARG 250 Cb 0.43 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1u1c h ARG 250 CO 0.02 0.71 -0.15 0.00 -1.07 0.00 0.00 179.97 179.48 1u1c h ARG 251 N 1.11 0.00 -0.17 0.04 3.08 -1.46 -3.20 114.38 113.78 1u1c h ARG 251 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1u1c h ARG 251 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1u1c h ARG 251 CO -0.11 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 1u1c n LEU 252 N -3.27 3.00 0.00 3.04 4.77 -0.84 -5.09 117.00 118.62 1u1c n LEU 252 Ca 0.01 -1.23 0.15 0.00 -0.03 0.00 0.00 56.01 54.90 1u1c n LEU 252 Cb 0.41 -0.10 0.87 0.00 -2.33 0.00 0.00 43.42 42.27 1u1c n LEU 252 CO 0.32 0.58 1.04 0.18 -1.33 0.00 0.00 177.39 178.17