#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 0.66 -4.44 -3.46 10.43 -0.64 -4.94 116.55 114.16 1u1c n ASP 5 Ca 0.00 0.08 -0.22 0.00 2.57 0.00 0.00 54.79 57.21 1u1c n ASP 5 Cb 0.00 0.17 -0.10 0.00 1.84 0.00 0.00 41.12 43.03 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 -3.14 2.08 -0.09 2.53 -7.23 -1.24 -5.07 120.40 108.24 1u1c s VAL 6 Ca 0.07 -2.27 0.17 0.00 -1.81 0.00 0.00 61.98 58.14 1u1c s VAL 6 Cb 0.14 -2.32 0.10 0.00 0.56 0.00 0.00 36.38 34.86 1u1c s VAL 6 CO 0.72 -0.40 1.52 -0.26 -0.31 0.00 0.00 175.10 176.37 1u1c h PHE 7 N 2.30 0.00 0.00 2.82 0.05 -1.95 -3.40 116.94 116.77 1u1c h PHE 7 Ca -0.40 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.39 1u1c h PHE 7 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.19 1u1c h PHE 7 CO 0.75 0.45 -0.71 0.72 -0.18 0.00 0.00 178.31 179.34 1u1c n HIS 8 N -3.28 0.00 0.21 -0.55 8.25 -1.26 -4.83 115.22 113.76 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 0.67 0.00 0.41 0.00 1.12 0.00 0.00 29.99 32.19 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 -0.59 2.41 3.38 -1.92 -3.44 115.31 115.15 1u1c h LEU 9 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u1c h LEU 9 Cb 0.71 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.53 1u1c h LEU 9 CO 0.00 0.28 -0.37 0.61 0.09 0.00 0.00 178.44 179.06 1u1c n GLY 10 N 0.17 0.10 3.26 0.83 0.00 -1.26 -4.71 105.19 103.57 1u1c n GLY 10 Ca -0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.34 2.28 0.28 0.99 1.43 -1.26 -4.84 118.68 113.23 1u1c s LEU 11 Ca 0.28 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1u1c s LEU 11 Cb -0.13 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1u1c s LEU 11 CO 0.35 0.05 0.16 0.42 0.23 0.00 0.00 176.35 177.56 1u1c s THR 12 N -1.14 3.83 0.37 5.49 -4.23 -1.26 -1.61 115.64 117.08 1u1c s THR 12 Ca 0.05 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1u1c s THR 12 Cb -0.10 -3.17 0.30 0.00 1.34 0.00 0.00 72.50 70.87 1u1c s THR 12 CO 0.04 -0.30 1.96 0.50 -0.54 0.00 0.00 174.62 176.28 1u1c h LYS 13 N 1.54 0.69 -0.36 3.99 3.64 -1.95 -2.26 116.57 121.85 1u1c h LYS 13 Ca -0.46 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1u1c h LYS 13 Cb 1.25 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1u1c h LYS 13 CO 0.60 0.46 0.04 -0.97 -2.27 0.00 0.00 179.45 177.31 1u1c h ASN 14 N 0.71 0.51 -0.48 4.20 -0.00 -1.96 -2.94 115.58 115.63 1u1c h ASN 14 Ca 0.30 -0.09 0.12 0.00 -0.00 0.00 0.00 56.30 56.64 1u1c h ASN 14 Cb 0.28 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.44 1u1c h ASN 14 CO -0.10 0.55 0.34 0.44 -0.00 0.00 0.00 177.43 178.66 1u1c h ASP 15 N 0.53 0.09 1.42 1.15 3.45 -1.81 -2.00 116.42 119.24 1u1c h ASP 15 Ca 0.12 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.48 1u1c h ASP 15 Cb 0.28 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 1u1c h ASP 15 CO 0.00 0.05 -0.60 -0.07 -1.57 0.00 0.00 179.24 177.06 1u1c h LEU 16 N 0.09 0.00 0.83 1.55 4.07 -1.63 -3.48 115.31 116.75 1u1c h LEU 16 Ca 0.23 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.78 1u1c h LEU 16 Cb 0.77 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.56 1u1c h LEU 16 CO -0.02 0.45 -0.61 0.00 -1.08 0.00 0.00 178.44 177.18 1u1c n GLN 17 N -3.15 -4.92 -0.33 1.13 6.02 -0.75 -2.38 117.38 113.00 1u1c n GLN 17 Ca 0.01 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1u1c n GLN 17 Cb 0.73 -5.71 0.00 0.00 1.02 0.00 0.00 30.24 26.27 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 -1.52 0.83 3.75 1.08 0.00 -1.26 -4.82 105.19 103.26 1u1c n GLY 18 Ca -0.09 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 3.53 0.00 4.61 0.00 -1.00 -4.92 121.76 121.98 1u1c s ALA 19 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1u1c s ALA 19 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1u1c s ALA 19 CO 0.00 -0.58 0.25 0.25 0.00 0.00 0.00 175.76 175.68 1u1c n THR 20 N 1.94 0.00 -5.13 0.00 -2.24 -1.26 -4.18 114.28 103.41 1u1c n THR 20 Ca 0.04 -0.41 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 1u1c n THR 20 Cb 0.42 1.11 -0.15 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.64 2.31 -0.03 3.22 0.20 -1.26 -0.13 118.68 122.33 1u1c s LEU 21 Ca 0.00 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.44 1u1c s LEU 21 Cb 0.00 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1u1c s LEU 21 CO 0.00 0.28 -0.08 0.00 -0.29 0.00 0.00 176.35 176.25 1u1c s ALA 22 N -0.34 0.87 -0.21 5.97 0.00 0.09 -1.68 121.76 126.46 1u1c s ALA 22 Ca 0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 1u1c s ALA 22 Cb -0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1u1c s ALA 22 CO 0.02 0.11 0.39 0.42 0.00 0.00 0.00 175.76 176.70 1u1c s ILE 23 N 0.41 5.20 -0.54 0.00 1.01 0.52 -0.76 121.20 127.03 1u1c s ILE 23 Ca -0.07 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1u1c s ILE 23 Cb -0.11 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 38.78 1u1c s ILE 23 CO 0.01 0.24 0.28 0.68 0.00 0.00 0.00 174.94 176.16 1u1c s VAL 24 N 1.40 2.58 0.75 2.92 -7.23 0.31 -1.54 120.40 119.60 1u1c s VAL 24 Ca 0.18 -3.41 -0.11 0.00 -1.81 0.00 0.00 61.98 56.83 1u1c s VAL 24 Cb -0.15 -2.78 0.04 0.00 0.56 0.00 0.00 36.38 34.05 1u1c s VAL 24 CO 0.08 -0.83 1.10 -2.16 -0.31 0.00 0.00 175.10 172.98 1u1c s PRO 25 N -0.41 2.47 -0.04 4.82 0.04 -1.24 -3.22 135.00 137.43 1u1c s PRO 25 Ca 0.18 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.56 1u1c s PRO 25 Cb -0.24 -1.97 -0.29 0.00 0.04 0.00 0.00 34.50 32.04 1u1c s PRO 25 CO -0.02 -1.33 0.94 0.78 0.04 0.00 0.00 177.00 177.42 1u1c h GLY 26 N -0.87 0.35 -5.92 0.56 0.00 -1.84 -1.30 103.07 94.05 1u1c h GLY 26 Ca -0.46 -0.80 -0.60 0.00 0.00 0.00 0.00 47.33 45.48 1u1c h GLY 26 CO 0.61 0.70 0.32 -0.35 0.00 0.00 0.00 176.54 177.82 1u1c s ASP 27 N -6.86 6.76 0.53 0.19 2.15 -1.26 -1.18 116.67 117.01 1u1c s ASP 27 Ca -0.14 0.94 0.25 0.00 0.43 0.00 0.00 52.55 54.03 1u1c s ASP 27 Cb 0.01 -2.40 1.40 0.00 -0.30 0.00 0.00 42.92 41.63 1u1c s ASP 27 CO 0.82 -0.42 2.01 1.55 -0.17 0.00 0.00 175.17 178.96 1u1c h PRO 28 N 7.65 0.00 0.00 4.34 0.13 -1.88 -2.03 132.00 140.21 1u1c h PRO 28 Ca -0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 1u1c h PRO 28 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1u1c h PRO 28 CO 0.83 0.00 -0.29 -0.44 -0.23 0.00 0.00 178.00 177.86 1u1c h ASP 29 N 0.00 0.00 1.43 1.44 3.45 -1.97 -3.02 116.42 117.75 1u1c h ASP 29 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1u1c h ASP 29 Cb 0.90 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 1u1c h ASP 29 CO -0.00 0.29 0.00 -0.09 -1.57 0.00 0.00 179.24 177.87 1u1c h ARG 30 N 0.00 0.00 0.10 3.56 2.43 -1.78 -3.36 114.38 115.33 1u1c h ARG 30 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1u1c h ARG 30 Cb 0.71 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1u1c h ARG 30 CO 0.04 0.00 -0.21 0.28 -1.51 0.00 0.00 179.97 178.57 1u1c h VAL 31 N 0.00 0.53 -0.98 0.20 2.07 -1.61 -1.59 116.25 114.86 1u1c h VAL 31 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1u1c h VAL 31 Cb 0.72 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1u1c h VAL 31 CO 0.00 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 178.16 1u1c h GLU 32 N -0.39 1.21 -0.56 1.57 4.81 -1.79 -0.98 114.58 118.44 1u1c h GLU 32 Ca 0.03 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1u1c h GLU 32 Cb 0.42 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1u1c h GLU 32 CO -0.12 0.80 0.12 0.87 -0.73 0.00 0.00 179.01 179.95 1u1c h LYS 33 N 1.24 0.88 -0.13 1.92 1.57 -1.63 0.23 116.57 120.65 1u1c h LYS 33 Ca 0.39 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1u1c h LYS 33 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1u1c h LYS 33 CO -0.12 0.79 -0.24 0.82 -0.57 0.00 0.00 179.45 180.14 1u1c h ILE 34 N 0.84 1.37 -0.34 1.86 2.04 -0.86 -3.25 117.51 119.16 1u1c h ILE 34 Ca 0.18 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1u1c h ILE 34 Cb 0.32 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1u1c h ILE 34 CO 0.00 0.44 0.14 0.00 0.00 0.00 0.00 178.15 178.73 1u1c h ALA 35 N 0.54 1.62 0.00 1.87 0.00 -0.95 -2.79 119.26 119.55 1u1c h ALA 35 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1u1c h ALA 35 Cb 0.82 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1u1c h ALA 35 CO 0.05 0.31 -0.13 0.00 0.00 0.00 0.00 179.25 179.48 1u1c h ALA 36 N 1.69 1.19 0.00 0.00 0.00 -0.99 -1.91 119.26 119.24 1u1c h ALA 36 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1c h ALA 36 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u1c h ALA 36 CO -0.01 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1u1c n LEU 37 N -3.52 0.77 -4.92 0.00 4.32 -1.05 -4.82 117.00 107.79 1u1c n LEU 37 Ca -0.01 0.62 -0.21 0.00 -0.02 0.00 0.00 56.01 56.39 1u1c n LEU 37 Cb 0.28 -0.44 -0.01 0.00 -1.62 0.00 0.00 43.42 41.63 1u1c n LEU 37 CO 0.30 -0.37 0.06 -0.04 -1.22 0.00 0.00 177.39 176.13 1u1c s MET 38 N -3.21 2.51 0.43 3.23 -1.94 -0.72 -5.11 119.30 114.50 1u1c s MET 38 Ca 0.08 -1.57 -0.21 0.00 -1.71 0.00 0.00 55.69 52.27 1u1c s MET 38 Cb 0.11 -2.42 -0.11 0.00 2.01 0.00 0.00 34.83 34.42 1u1c s MET 38 CO 0.50 -0.33 0.96 -0.51 -0.01 0.00 0.00 175.02 175.63 1u1c s ASP 39 N -4.24 6.90 -1.13 3.03 1.01 -0.29 -4.40 116.67 117.56 1u1c s ASP 39 Ca 0.49 1.71 -0.26 0.00 0.71 0.00 0.00 52.55 55.20 1u1c s ASP 39 Cb -0.04 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.37 1u1c s ASP 39 CO 0.29 -0.39 0.70 0.29 0.21 0.00 0.00 175.17 176.28 1u1c n LYS 40 N -0.63 -0.70 -2.46 8.23 5.02 -1.26 0.44 118.16 126.81 1u1c n LYS 40 Ca 0.07 0.30 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 1u1c n LYS 40 Cb 0.54 -2.98 -0.03 0.00 -0.02 0.00 0.00 35.03 32.54 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 -6.61 4.44 -0.03 1.97 0.04 -1.26 -4.24 135.00 129.31 1u1c s PRO 41 Ca 0.41 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1u1c s PRO 41 Cb -0.20 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 30.98 1u1c s PRO 41 CO 0.93 -0.25 -0.01 0.08 0.04 0.00 0.00 177.00 177.78 1u1c s VAL 42 N 1.17 0.27 0.23 -0.36 1.01 0.91 -5.00 120.40 118.63 1u1c s VAL 42 Ca 0.58 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1u1c s VAL 42 Cb -0.28 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 1u1c s VAL 42 CO 0.28 0.16 1.17 -0.75 0.00 0.00 0.00 175.10 175.96 1u1c s LYS 43 N 0.89 4.53 -0.14 2.72 2.20 -1.26 -0.04 119.74 128.65 1u1c s LYS 43 Ca -0.10 1.87 -0.09 0.00 -0.36 0.00 0.00 55.97 57.29 1u1c s LYS 43 Cb -0.13 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 1u1c s LYS 43 CO -0.01 0.01 -0.22 1.28 -0.36 0.00 0.00 175.35 176.05 1u1c n LEU 44 N 1.91 1.35 -3.46 5.43 4.77 0.15 -4.87 117.00 122.29 1u1c n LEU 44 Ca 0.02 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1u1c n LEU 44 Cb 0.44 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1u1c n LEU 44 CO 0.55 0.09 0.39 0.00 -1.33 0.00 0.00 177.39 177.09 1u1c s ALA 45 N -2.40 -1.58 -0.20 -1.18 0.00 -1.11 -5.00 121.76 110.29 1u1c s ALA 45 Ca -0.22 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1u1c s ALA 45 Cb 0.07 0.67 0.08 0.00 0.00 0.00 0.00 23.12 23.94 1u1c s ALA 45 CO 0.29 -0.66 0.18 0.45 0.00 0.00 0.00 175.76 176.02 1u1c s SER 46 N -2.39 1.71 -0.03 0.00 0.15 -1.26 -0.33 113.70 111.55 1u1c s SER 46 Ca -0.02 -0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.26 1u1c s SER 46 Cb -0.01 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1u1c s SER 46 CO -0.08 -0.34 0.01 -1.00 1.20 0.00 0.00 173.24 173.04 1u1c s HIS 47 N 2.27 0.26 0.00 3.44 3.76 -0.36 -4.99 115.29 119.66 1u1c s HIS 47 Ca 0.06 0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1u1c s HIS 47 Cb -0.16 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1u1c s HIS 47 CO -0.12 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1u1c n ARG 48 N 4.39 0.00 -0.10 1.40 1.74 -1.26 -0.74 116.66 122.08 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 0.50 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.15 1u1c n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1c n GLU 49 N 14.00 1.55 -3.48 5.56 0.00 -1.26 -4.74 120.64 132.28 1u1c n GLU 49 Ca 0.00 -0.85 -0.43 0.00 0.00 0.00 0.00 57.16 55.88 1u1c n GLU 49 Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 31.44 30.13 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 -1.73 3.45 -0.13 -1.84 0.40 0.08 -4.19 117.98 114.02 1u1c s PHE 50 Ca 0.21 -1.87 -0.07 0.00 -0.60 0.00 0.00 56.93 54.60 1u1c s PHE 50 Cb 0.11 -3.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 1u1c s PHE 50 CO 0.16 -0.98 0.14 0.99 0.70 0.00 0.00 175.22 176.22 1u1c s THR 51 N 1.04 5.48 -0.05 0.64 2.01 -1.26 -1.23 115.64 122.27 1u1c s THR 51 Ca 0.09 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1u1c s THR 51 Cb -0.24 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 68.88 1u1c s THR 51 CO -0.02 0.60 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.49 1u1c s THR 52 N -0.86 1.15 0.07 -0.82 2.01 0.55 -1.78 115.64 115.95 1u1c s THR 52 Ca 0.14 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1u1c s THR 52 Cb -0.12 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1u1c s THR 52 CO 0.03 0.35 -0.21 0.26 -0.69 0.00 0.00 174.62 174.36 1u1c s TRP 53 N 0.42 1.83 -0.11 4.92 0.52 0.28 -0.67 118.94 126.14 1u1c s TRP 53 Ca -0.10 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.63 1u1c s TRP 53 Cb -0.13 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1u1c s TRP 53 CO 0.03 0.16 -0.11 0.50 0.02 0.00 0.00 176.95 177.54 1u1c s ARG 54 N -1.55 3.15 0.31 4.98 3.52 0.95 -0.44 118.95 129.86 1u1c s ARG 54 Ca 0.07 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1u1c s ARG 54 Cb -0.09 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1u1c s ARG 54 CO 0.03 0.36 0.16 0.00 -0.81 0.00 0.00 175.30 175.04 1u1c n ALA 55 N 3.10 0.50 -3.48 6.12 0.00 0.56 -0.06 120.51 127.25 1u1c n ALA 55 Ca -0.18 -1.64 -0.24 0.00 0.00 0.00 0.00 53.44 51.38 1u1c n ALA 55 Cb 0.53 1.18 -0.17 0.00 0.00 0.00 0.00 19.45 20.99 1u1c n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u1c s GLU 56 N -3.20 1.60 -0.13 0.00 2.12 0.17 -0.07 118.70 119.19 1u1c s GLU 56 Ca 0.22 -0.38 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 1u1c s GLU 56 Cb 0.01 -1.34 0.03 0.00 0.26 0.00 0.00 34.13 33.08 1u1c s GLU 56 CO 0.16 0.01 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.62 1u1c s LEU 57 N 0.70 1.42 -1.53 2.70 2.96 0.89 -1.13 118.68 124.70 1u1c s LEU 57 Ca -0.14 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1u1c s LEU 57 Cb -0.16 -0.97 0.08 0.00 0.50 0.00 0.00 46.19 45.64 1u1c s LEU 57 CO 0.03 -0.10 0.88 0.47 -1.32 0.00 0.00 176.35 176.30 1u1c n ASP 58 N 4.87 -3.77 0.00 3.68 10.43 -1.26 -1.12 116.55 129.38 1u1c n ASP 58 Ca -0.14 -0.84 0.00 0.00 2.57 0.00 0.00 54.79 56.38 1u1c n ASP 58 Cb 0.50 -3.66 0.00 0.00 1.84 0.00 0.00 41.12 39.80 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 0.48 3.24 0.44 0.00 -1.26 -5.02 105.19 101.42 1u1c n GLY 59 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.32 2.62 0.27 1.61 3.01 -0.28 -5.11 119.74 121.54 1u1c s LYS 60 Ca 0.00 -0.88 -0.30 0.00 -1.01 0.00 0.00 55.97 53.79 1u1c s LYS 60 Cb 0.00 -2.15 -0.10 0.00 -1.01 0.00 0.00 37.83 34.57 1u1c s LYS 60 CO 0.00 0.32 1.42 -1.25 0.51 0.00 0.00 175.35 176.35 1u1c s PRO 61 N -0.02 4.27 0.02 -1.68 0.04 -1.26 -0.07 135.00 136.30 1u1c s PRO 61 Ca -0.08 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.30 1u1c s PRO 61 Cb -0.15 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1u1c s PRO 61 CO 0.05 -0.38 -0.10 0.08 0.04 0.00 0.00 177.00 176.69 1u1c s VAL 62 N -0.29 0.77 -0.10 -0.36 1.01 0.89 -4.46 120.40 117.86 1u1c s VAL 62 Ca 0.57 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1u1c s VAL 62 Cb -0.42 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1u1c s VAL 62 CO 0.46 0.00 0.04 -0.63 0.00 0.00 0.00 175.10 174.98 1u1c s ILE 63 N -0.66 4.67 -0.16 2.22 -1.09 -0.68 -0.32 121.20 125.18 1u1c s ILE 63 Ca -0.00 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1u1c s ILE 63 Cb -0.06 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1u1c s ILE 63 CO 0.00 0.61 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.45 1u1c s VAL 64 N -0.93 2.37 -0.04 2.92 1.01 0.42 -0.35 120.40 125.79 1u1c s VAL 64 Ca 0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1u1c s VAL 64 Cb -0.12 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1u1c s VAL 64 CO 0.03 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.72 1u1c s SER 66 N 1.80 7.05 -0.13 0.00 1.04 -0.74 -3.66 113.70 119.07 1u1c s SER 66 Ca -0.00 2.12 0.18 0.00 0.48 0.00 0.00 55.95 58.73 1u1c s SER 66 Cb -0.12 -2.60 -0.26 0.00 0.10 0.00 0.00 66.02 63.13 1u1c s SER 66 CO -0.03 -0.28 0.20 0.35 0.98 0.00 0.00 173.24 174.45 1u1c n THR 67 N 0.60 0.82 0.00 2.02 -2.24 -0.49 -4.45 114.28 110.54 1u1c n THR 67 Ca 0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1u1c n THR 67 Cb 0.47 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.66 -1.19 3.71 3.38 0.00 -0.32 -3.55 105.19 108.87 1u1c n GLY 68 Ca -0.21 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.24 4.70 0.00 -0.61 1.01 -1.26 -4.69 121.20 119.11 1u1c s ILE 69 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1u1c s ILE 69 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1u1c s ILE 69 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1u1c n GLY 70 N 2.99 1.94 0.25 6.18 0.00 -1.20 -4.71 105.19 110.64 1u1c n GLY 70 Ca 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.96 0.10 -0.02 0.00 -1.85 -2.60 103.07 99.66 1u1c h GLY 71 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1u1c h GLY 71 CO 0.00 0.05 -0.32 -2.55 0.00 0.00 0.00 176.54 173.72 1u1c h PRO 72 N 0.54 -0.35 0.00 4.80 0.11 -1.94 0.54 132.00 135.71 1u1c h PRO 72 Ca 0.32 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.35 1u1c h PRO 72 Cb 0.33 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1u1c h PRO 72 CO -0.26 -0.23 -0.49 0.66 -0.21 0.00 0.00 178.00 177.47 1u1c h SER 73 N -0.36 0.00 -0.41 -2.05 4.64 -1.81 -2.72 113.55 110.84 1u1c h SER 73 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1u1c h SER 73 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1u1c h SER 73 CO -0.39 0.49 0.22 0.74 -0.87 0.00 0.00 176.83 177.02 1u1c h THR 74 N 0.00 1.16 0.00 2.95 2.02 -1.03 -1.77 112.91 116.23 1u1c h THR 74 Ca -0.00 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1u1c h THR 74 Cb 1.08 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1u1c h THR 74 CO 0.06 0.16 -0.11 0.77 0.37 0.00 0.00 175.52 176.77 1u1c h SER 75 N 0.53 0.00 -0.01 4.18 4.64 0.34 -0.28 113.55 122.95 1u1c h SER 75 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1u1c h SER 75 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1u1c h SER 75 CO -0.02 0.11 -0.04 0.40 -0.87 0.00 0.00 176.83 176.41 1u1c h ILE 76 N 0.00 1.48 -0.25 0.95 2.04 -1.31 -2.93 117.51 117.49 1u1c h ILE 76 Ca -0.00 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.39 1u1c h ILE 76 Cb 0.21 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1u1c h ILE 76 CO 0.01 0.39 0.15 0.00 0.00 0.00 0.00 178.15 178.70 1u1c h ALA 77 N 0.40 0.31 -0.21 1.87 0.00 -0.80 -1.98 119.26 118.85 1u1c h ALA 77 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1u1c h ALA 77 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u1c h ALA 77 CO 0.01 -0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.29 1u1c h VAL 78 N 0.31 1.26 -0.14 0.00 2.07 -1.20 -1.54 116.25 117.00 1u1c h VAL 78 Ca 0.10 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1u1c h VAL 78 Cb -0.01 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1u1c h VAL 78 CO -0.04 0.28 0.09 -0.08 0.02 0.00 0.00 177.57 177.84 1u1c h GLU 79 N 0.12 0.20 -0.14 1.57 4.57 -1.47 0.07 114.58 119.50 1u1c h GLU 79 Ca 0.06 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 1u1c h GLU 79 Cb 0.42 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1u1c h GLU 79 CO 0.01 0.17 -0.45 0.93 -1.18 0.00 0.00 179.01 178.50 1u1c h GLU 80 N 0.16 0.33 -0.33 1.92 5.08 -1.38 -1.32 114.58 119.05 1u1c h GLU 80 Ca 0.05 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1u1c h GLU 80 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1u1c h GLU 80 CO -0.01 0.72 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.45 1u1c h LEU 81 N 0.27 0.61 -0.92 1.33 3.38 -1.09 -2.48 115.31 116.41 1u1c h LEU 81 Ca 0.02 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1u1c h LEU 81 Cb 0.90 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1u1c h LEU 81 CO 0.07 0.82 -0.12 0.00 0.09 0.00 0.00 178.44 179.30 1u1c h ALA 82 N 1.24 1.09 -0.13 1.53 0.00 -0.50 -1.41 119.26 121.07 1u1c h ALA 82 Ca 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1u1c h ALA 82 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1u1c h ALA 82 CO 0.05 0.56 -0.14 1.96 0.00 0.00 0.00 179.25 181.68 1u1c h GLN 83 N 0.60 0.20 -0.00 0.00 4.20 -1.04 -2.64 115.11 116.42 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 0.56 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1u1c h GLN 83 CO 0.04 0.34 -0.19 1.28 -0.67 0.00 0.00 178.83 179.63 1u1c n LEU 84 N -4.28 0.49 0.00 1.46 4.77 -0.88 -4.93 117.00 113.64 1u1c n LEU 84 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1u1c n LEU 84 Cb 0.26 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1u1c n LEU 84 CO 0.38 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1u1c n GLY 85 N 1.36 1.24 3.71 -0.72 0.00 -0.85 -4.83 105.19 105.10 1u1c n GLY 85 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.97 3.35 -0.02 -0.61 -1.09 -0.59 -4.51 121.20 115.75 1u1c s ILE 86 Ca 0.00 0.94 0.08 0.00 -2.23 0.00 0.00 60.65 59.44 1u1c s ILE 86 Cb 0.00 -3.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.16 1u1c s ILE 86 CO 0.00 0.06 0.15 0.54 -1.23 0.00 0.00 174.94 174.46 1u1c n ARG 87 N 4.15 0.79 -4.72 2.79 5.12 0.81 -4.29 116.66 121.32 1u1c n ARG 87 Ca 0.12 -0.06 -0.31 0.00 -1.93 0.00 0.00 57.85 55.67 1u1c n ARG 87 Cb 0.42 -1.19 -0.17 0.00 -1.16 0.00 0.00 32.46 30.36 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 -2.48 1.83 -0.17 0.55 2.01 -0.25 -1.35 115.64 115.77 1u1c s THR 88 Ca -0.03 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1u1c s THR 88 Cb 0.05 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1u1c s THR 88 CO 0.33 0.51 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.22 1u1c s PHE 89 N 0.76 2.65 -0.31 4.92 0.40 0.50 -0.73 117.98 126.16 1u1c s PHE 89 Ca -0.10 -1.52 -0.02 0.00 -0.60 0.00 0.00 56.93 54.69 1u1c s PHE 89 Cb -0.16 -1.84 0.06 0.00 0.51 0.00 0.00 43.02 41.59 1u1c s PHE 89 CO 0.01 -0.75 0.02 -0.51 0.70 0.00 0.00 175.22 174.69 1u1c s LEU 90 N 1.24 4.05 -0.05 -0.37 1.43 0.06 -1.21 118.68 123.82 1u1c s LEU 90 Ca 0.03 -1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 51.49 1u1c s LEU 90 Cb -0.13 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1u1c s LEU 90 CO -0.11 -0.29 0.84 -0.60 0.23 0.00 0.00 176.35 176.42 1u1c s ARG 91 N 1.23 4.47 -0.22 1.70 3.52 -0.39 -0.53 118.95 128.73 1u1c s ARG 91 Ca -0.03 1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 56.67 1u1c s ARG 91 Cb -0.20 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 1u1c s ARG 91 CO -0.02 -0.05 -0.07 -1.50 -0.81 0.00 0.00 175.30 172.85 1u1c s ILE 92 N 1.11 3.06 0.42 4.11 1.10 -1.20 -1.47 121.20 128.33 1u1c s ILE 92 Ca 0.44 -0.67 0.04 0.00 -0.51 0.00 0.00 60.65 59.95 1u1c s ILE 92 Cb -0.19 -2.41 -0.02 0.00 0.15 0.00 0.00 42.46 39.99 1u1c s ILE 92 CO 0.21 0.40 0.15 -0.83 -2.11 0.00 0.00 174.94 172.76 1u1c s GLY 93 N 1.42 2.71 0.26 1.50 0.00 -0.39 -3.83 107.32 108.98 1u1c s GLY 93 Ca 0.05 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 43.68 1u1c s GLY 93 CO -0.05 -1.82 0.05 -0.51 0.00 0.00 0.00 173.10 170.77 1u1c s THR 94 N -3.18 3.75 0.05 0.90 -4.23 -1.26 -2.28 115.64 109.38 1u1c s THR 94 Ca 0.23 -1.75 -0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1u1c s THR 94 Cb 0.01 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.90 1u1c s THR 94 CO 0.16 -0.36 0.57 0.28 -0.54 0.00 0.00 174.62 174.73 1u1c s THR 95 N -2.25 0.02 -0.22 3.99 -1.32 -0.96 -4.77 115.64 110.13 1u1c s THR 95 Ca 0.32 -0.15 -0.06 0.00 -1.21 0.00 0.00 61.69 60.59 1u1c s THR 95 Cb -0.07 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1u1c s THR 95 CO 0.21 -0.08 0.04 -0.83 -2.21 0.00 0.00 174.62 171.75 1u1c s GLY 96 N -1.95 1.77 0.32 6.08 0.00 -1.08 -2.61 107.32 109.84 1u1c s GLY 96 Ca -0.05 -1.02 -0.24 0.00 0.00 0.00 0.00 44.72 43.41 1u1c s GLY 96 CO -0.01 0.35 0.90 0.00 0.00 0.00 0.00 173.10 174.34 1u1c s ALA 97 N 1.20 3.22 -0.44 3.20 0.00 0.84 -1.02 121.76 128.76 1u1c s ALA 97 Ca 0.04 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1u1c s ALA 97 Cb -0.14 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.91 1u1c s ALA 97 CO 0.03 0.20 0.66 0.44 0.00 0.00 0.00 175.76 177.09 1u1c n ILE 98 N 0.37 0.10 -3.96 0.00 -5.35 -0.13 -0.10 119.36 110.29 1u1c n ILE 98 Ca 0.02 -0.55 -0.36 0.00 -0.27 0.00 0.00 62.75 61.59 1u1c n ILE 98 Cb 0.51 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.37 3.60 0.42 6.28 -1.52 -1.23 -4.78 119.66 122.06 1u1c s GLN 99 Ca 0.05 -0.23 0.09 0.00 -1.95 0.00 0.00 55.36 53.31 1u1c s GLN 99 Cb 0.03 -3.17 0.91 0.00 -0.22 0.00 0.00 33.01 30.56 1u1c s GLN 99 CO 0.05 0.58 2.05 -1.35 -0.25 0.00 0.00 175.29 176.37 1u1c h PRO 100 N 5.64 0.40 0.00 2.91 0.11 -1.96 -2.74 132.00 136.36 1u1c h PRO 100 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1u1c h PRO 100 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u1c h PRO 100 CO 0.63 0.30 0.00 -2.39 -0.21 0.00 0.00 178.00 176.33 1u1c n HIS 101 N -4.45 0.50 -3.14 0.65 1.44 -1.26 -4.71 115.22 104.25 1u1c n HIS 101 Ca 0.01 0.15 -0.41 0.00 -2.01 0.00 0.00 57.72 55.47 1u1c n HIS 101 Cb 0.10 -0.75 -0.07 0.00 0.12 0.00 0.00 29.99 29.40 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 -3.08 4.96 0.32 0.61 1.01 -1.04 -5.06 121.20 118.92 1u1c s ILE 102 Ca 0.11 0.81 -0.02 0.00 0.00 0.00 0.00 60.65 61.55 1u1c s ILE 102 Cb 0.14 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1u1c s ILE 102 CO 0.53 -0.13 0.54 0.20 0.00 0.00 0.00 174.94 176.08 1u1c s ASN 103 N 1.64 6.35 0.23 3.58 0.02 -1.26 -4.86 114.94 120.65 1u1c s ASN 103 Ca 0.24 0.56 -0.32 0.00 -1.02 0.00 0.00 52.86 52.33 1u1c s ASN 103 Cb -0.15 -2.08 -0.12 0.00 0.02 0.00 0.00 41.25 38.92 1u1c s ASN 103 CO 0.12 -0.25 1.60 0.52 0.02 0.00 0.00 177.10 179.12 1u1c n VAL 104 N -1.38 0.49 0.00 1.60 0.31 -1.26 -1.94 118.33 116.14 1u1c n VAL 104 Ca -0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1u1c n VAL 104 Cb 0.55 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1u1c n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u1c n GLY 105 N 2.98 2.06 3.77 2.92 0.00 0.10 -5.01 105.19 112.02 1u1c n GLY 105 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1u1c n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1c s ASP 106 N -1.45 5.47 -0.13 1.61 1.11 -0.82 -4.71 116.67 117.74 1u1c s ASP 106 Ca 0.00 2.14 -0.04 0.00 0.18 0.00 0.00 52.55 54.83 1u1c s ASP 106 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 1u1c s ASP 106 CO 0.00 -1.39 0.02 0.54 1.18 0.00 0.00 175.17 175.52 1u1c s VAL 107 N -1.93 4.40 -0.13 -1.27 0.11 -0.44 -0.89 120.40 120.24 1u1c s VAL 107 Ca 0.71 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1u1c s VAL 107 Cb -0.23 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1u1c s VAL 107 CO 0.32 0.53 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.74 1u1c s LEU 108 N -0.19 2.73 -0.21 2.54 1.43 0.72 -1.74 118.68 123.97 1u1c s LEU 108 Ca 0.06 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1u1c s LEU 108 Cb -0.12 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1u1c s LEU 108 CO 0.02 0.17 0.01 -0.69 0.23 0.00 0.00 176.35 176.08 1u1c s VAL 109 N 0.35 3.96 -0.23 -1.59 1.01 -0.04 -1.30 120.40 122.57 1u1c s VAL 109 Ca -0.11 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1u1c s VAL 109 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1u1c s VAL 109 CO 0.06 0.42 0.53 -0.89 0.00 0.00 0.00 175.10 175.21 1u1c s THR 110 N 1.11 5.08 0.01 3.92 2.01 -0.76 -1.95 115.64 125.06 1u1c s THR 110 Ca 0.03 0.95 -0.18 0.00 0.31 0.00 0.00 61.69 62.80 1u1c s THR 110 Cb -0.14 -3.85 -0.33 0.00 0.01 0.00 0.00 72.50 68.19 1u1c s THR 110 CO 0.02 0.13 0.99 0.71 -0.69 0.00 0.00 174.62 175.78 1u1c h THR 111 N 5.25 1.35 -2.79 -0.82 1.35 -1.51 -3.41 112.91 112.33 1u1c h THR 111 Ca -0.31 -2.59 0.04 0.00 -0.55 0.00 0.00 66.41 63.00 1u1c h THR 111 Cb 1.15 3.02 -0.11 0.00 -1.73 0.00 0.00 68.15 70.47 1u1c h THR 111 CO 0.73 0.77 0.30 0.00 -0.25 0.00 0.00 175.52 177.07 1u1c s ALA 112 N -2.64 -1.59 0.04 6.62 0.00 -1.26 -0.81 121.76 122.12 1u1c s ALA 112 Ca -0.11 0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.38 1u1c s ALA 112 Cb 0.03 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1u1c s ALA 112 CO 0.91 -0.82 -0.26 -1.12 0.00 0.00 0.00 175.76 174.47 1u1c s SER 113 N -2.74 3.17 -0.02 0.00 0.01 -0.06 -2.04 113.70 112.01 1u1c s SER 113 Ca 0.04 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 1u1c s SER 113 Cb -0.02 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 1u1c s SER 113 CO -0.07 0.27 1.34 -0.69 0.41 0.00 0.00 173.24 174.50 1u1c s VAL 114 N -0.78 3.88 -1.15 3.43 1.01 0.17 -4.28 120.40 122.68 1u1c s VAL 114 Ca 0.12 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.18 1u1c s VAL 114 Cb -0.10 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.62 1u1c s VAL 114 CO 0.02 -0.01 1.41 -0.13 0.00 0.00 0.00 175.10 176.39 1u1c s ARG 115 N 2.42 3.94 -0.54 2.72 0.52 -1.26 -1.65 118.95 125.11 1u1c s ARG 115 Ca 0.61 -2.24 0.01 0.00 -0.52 0.00 0.00 55.73 53.60 1u1c s ARG 115 Cb -0.29 -5.11 0.57 0.00 0.52 0.00 0.00 34.95 30.64 1u1c s ARG 115 CO 0.25 -1.86 1.97 1.28 0.02 0.00 0.00 175.30 176.95 1u1c n LEU 116 N 6.40 7.14 -4.58 2.53 4.77 -0.55 -4.95 117.00 127.75 1u1c n LEU 116 Ca 0.35 -3.88 -0.27 0.00 -0.03 0.00 0.00 56.01 52.18 1u1c n LEU 116 Cb 0.45 -0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 1u1c n LEU 116 CO 0.62 1.22 -0.29 1.51 -1.33 0.00 0.00 177.39 179.12 1u1c s ASP 117 N -1.50 3.57 -0.23 -1.43 -4.77 -1.22 -1.72 116.67 109.37 1u1c s ASP 117 Ca 0.60 -1.36 0.04 0.00 -3.30 0.00 0.00 52.55 48.53 1u1c s ASP 117 Cb 0.49 -0.33 -0.20 0.00 -1.09 0.00 0.00 42.92 41.79 1u1c s ASP 117 CO 0.06 -0.47 -0.09 0.61 0.70 0.00 0.00 175.17 175.98 1u1c n GLY 118 N -0.90 -0.52 0.32 2.12 0.00 -1.26 -4.64 105.19 100.30 1u1c n GLY 118 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 0.22 1.35 -0.42 4.61 0.00 -1.98 -2.31 119.26 120.73 1u1c h ALA 119 Ca -0.55 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1u1c h ALA 119 Cb 1.98 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1u1c h ALA 119 CO -0.05 0.49 0.28 0.66 0.00 0.00 0.00 179.25 180.64 1u1c h SER 120 N 0.82 0.31 0.67 0.00 4.64 -1.86 -0.99 113.55 117.14 1u1c h SER 120 Ca 0.20 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1u1c h SER 120 Cb 0.13 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1u1c h SER 120 CO -0.02 0.21 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.03 1u1c h LEU 121 N 0.36 0.00 0.00 5.97 3.38 -1.53 -1.76 115.31 121.72 1u1c h LEU 121 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1u1c h LEU 121 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u1c h LEU 121 CO -0.04 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.94 1u1c n HIS 122 N -3.21 0.00 -0.02 1.13 8.25 -0.38 -3.93 115.22 117.07 1u1c n HIS 122 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1u1c n HIS 122 Cb 0.25 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.30 0.00 -3.72 4.41 3.01 -0.83 -5.07 117.46 113.95 1u1c n PHE 123 Ca 0.13 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.45 1u1c n PHE 123 Cb 0.23 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 39.49 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 -2.06 -1.03 0.87 4.37 0.00 -0.73 -5.03 121.76 118.15 1u1c s ALA 124 Ca -0.04 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1u1c s ALA 124 Cb 0.01 -0.49 0.12 0.00 0.00 0.00 0.00 23.12 22.76 1u1c s ALA 124 CO 0.08 -0.22 1.14 -1.25 0.00 0.00 0.00 175.76 175.51 1u1c s PRO 125 N -0.18 1.35 0.38 0.00 0.04 -1.26 -3.92 135.00 131.39 1u1c s PRO 125 Ca -0.03 1.51 0.14 0.00 0.04 0.00 0.00 61.00 62.66 1u1c s PRO 125 Cb -0.03 -1.77 0.99 0.00 0.04 0.00 0.00 34.50 33.73 1u1c s PRO 125 CO 0.02 -2.38 1.80 1.25 0.04 0.00 0.00 177.00 177.73 1u1c h LEU 126 N -1.58 0.54 -2.46 -3.56 5.85 -1.93 -0.72 115.31 111.45 1u1c h LEU 126 Ca -0.44 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1u1c h LEU 126 Cb 1.27 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1c h LEU 126 CO 0.44 0.17 -0.03 1.05 -0.34 0.00 0.00 178.44 179.74 1u1c h GLU 127 N 0.51 0.00 -6.53 1.25 9.09 -2.03 -3.42 114.58 113.45 1u1c h GLU 127 Ca 0.54 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.42 1u1c h GLU 127 Cb 1.19 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.30 1u1c h GLU 127 CO -0.28 0.03 0.57 0.12 0.05 0.00 0.00 179.01 179.51 1u1c s PHE 128 N -4.28 3.42 0.15 2.06 2.19 -0.28 -5.00 117.98 116.25 1u1c s PHE 128 Ca -0.04 1.30 -0.30 0.00 0.33 0.00 0.00 56.93 58.22 1u1c s PHE 128 Cb 0.13 -3.45 -0.07 0.00 -1.31 0.00 0.00 43.02 38.33 1u1c s PHE 128 CO 0.50 -1.36 1.02 -1.25 1.83 0.00 0.00 175.22 175.96 1u1c s PRO 129 N 0.75 4.66 -1.39 10.12 0.04 -1.26 -4.94 135.00 142.98 1u1c s PRO 129 Ca 0.58 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 1u1c s PRO 129 Cb -0.31 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1u1c s PRO 129 CO 0.31 0.18 2.26 0.00 0.04 0.00 0.00 177.00 179.78 1u1c n ALA 130 N 2.48 5.47 -2.71 8.56 0.00 -1.26 -4.73 120.51 128.31 1u1c n ALA 130 Ca 0.02 -3.77 -0.37 0.00 0.00 0.00 0.00 53.44 49.32 1u1c n ALA 130 Cb 0.48 -3.53 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 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 3.31 5.30 0.60 0.00 0.11 -1.26 -0.89 120.40 127.57 1u1c s VAL 131 Ca 0.50 0.49 -0.15 0.00 -2.93 0.00 0.00 61.98 59.89 1u1c s VAL 131 Cb 0.14 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1u1c s VAL 131 CO -0.06 0.56 1.04 0.00 -3.33 0.00 0.00 175.10 173.30 1u1c s ALA 132 N -0.72 2.82 0.23 1.54 0.00 0.01 -4.69 121.76 120.95 1u1c s ALA 132 Ca 0.18 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1u1c s ALA 132 Cb -0.14 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1u1c s ALA 132 CO 0.07 -0.76 1.32 0.34 0.00 0.00 0.00 175.76 176.73 1u1c s ASP 133 N -3.13 6.85 0.21 0.00 2.15 0.37 -4.94 116.67 118.18 1u1c s ASP 133 Ca 0.61 2.49 -0.10 0.00 0.43 0.00 0.00 52.55 55.98 1u1c s ASP 133 Cb -0.14 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.02 1u1c s ASP 133 CO 0.40 -0.54 1.88 0.15 -0.17 0.00 0.00 175.17 176.89 1u1c h PHE 134 N 4.90 0.95 -0.50 -5.34 3.04 -1.95 -0.48 116.94 117.54 1u1c h PHE 134 Ca -0.46 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.43 1u1c h PHE 134 Cb 1.22 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1u1c h PHE 134 CO 0.60 0.60 -0.03 0.93 -2.02 0.00 0.00 178.31 178.40 1u1c h GLU 135 N 1.02 0.91 -0.46 1.11 5.08 -1.95 0.69 114.58 120.97 1u1c h GLU 135 Ca 0.27 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1u1c h GLU 135 Cb -0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1u1c h GLU 135 CO -0.06 0.95 0.08 0.00 -1.00 0.00 0.00 179.01 178.98 1u1c h THR 137 N 0.63 1.23 -0.41 0.00 2.02 -0.98 -1.45 112.91 113.95 1u1c h THR 137 Ca 0.14 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1u1c h THR 137 Cb 0.37 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1u1c h THR 137 CO 0.01 0.25 0.20 0.74 0.37 0.00 0.00 175.52 177.09 1u1c h THR 138 N 0.29 0.96 -0.61 3.16 2.02 -0.81 -0.61 112.91 117.31 1u1c h THR 138 Ca 0.09 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1u1c h THR 138 Cb 0.33 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1u1c h THR 138 CO 0.00 0.07 0.41 0.00 0.37 0.00 0.00 175.52 176.37 1u1c h ALA 139 N 1.22 0.77 -0.43 6.16 0.00 -1.08 -0.35 119.26 125.57 1u1c h ALA 139 Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u1c h ALA 139 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1u1c h ALA 139 CO -0.13 0.21 0.05 -0.07 0.00 0.00 0.00 179.25 179.30 1u1c h LEU 140 N 0.83 0.70 -0.43 0.00 3.38 -0.96 0.10 115.31 118.93 1u1c h LEU 140 Ca 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1u1c h LEU 140 Cb -0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1u1c h LEU 140 CO -0.05 0.80 0.13 0.58 0.09 0.00 0.00 178.44 179.99 1u1c h VAL 141 N 0.57 1.22 -0.46 1.22 2.07 -0.95 -1.22 116.25 118.70 1u1c h VAL 141 Ca 0.13 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1u1c h VAL 141 Cb 0.41 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1u1c h VAL 141 CO 0.01 0.26 -0.17 -0.33 0.02 0.00 0.00 177.57 177.37 1u1c h GLU 142 N 0.55 0.88 -0.32 1.57 5.08 -0.97 -2.31 114.58 119.06 1u1c h GLU 142 Ca 0.14 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1u1c h GLU 142 Cb 0.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1u1c h GLU 142 CO -0.00 0.98 -0.15 0.00 -1.00 0.00 0.00 179.01 178.84 1u1c h ALA 143 N 1.03 1.14 -0.15 3.43 0.00 -0.67 -2.43 119.26 121.60 1u1c h ALA 143 Ca 0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1u1c h ALA 143 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1u1c h ALA 143 CO 0.05 0.54 -0.49 0.00 0.00 0.00 0.00 179.25 179.36 1u1c h ALA 144 N 1.32 0.88 0.00 0.00 0.00 -1.06 -3.08 119.26 117.32 1u1c h ALA 144 Ca 0.09 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1u1c h ALA 144 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1u1c h ALA 144 CO 0.04 0.66 -0.53 1.57 0.00 0.00 0.00 179.25 180.99 1u1c h LYS 145 N 0.31 0.00 -0.39 0.00 5.09 -1.19 -2.62 116.57 117.77 1u1c h LYS 145 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.61 1u1c h LYS 145 Cb 0.97 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.30 1u1c h LYS 145 CO 0.08 0.53 -0.31 0.77 -2.09 0.00 0.00 179.45 178.43 1u1c h SER 146 N 0.00 0.95 0.62 7.07 0.02 -1.35 -3.12 113.55 117.74 1u1c h SER 146 Ca -0.01 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1u1c h SER 146 Cb 0.99 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1u1c h SER 146 CO 0.07 1.20 -0.27 2.30 -1.14 0.00 0.00 176.83 178.99 1u1c n ILE 147 N -4.13 0.00 -2.12 3.27 -5.35 -1.20 -4.95 119.36 104.88 1u1c n ILE 147 Ca -0.02 -0.02 -0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1u1c n ILE 147 Cb 0.50 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 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 1.45 0.49 3.85 3.28 0.00 -1.09 -5.05 105.19 108.11 1u1c n GLY 148 Ca 0.08 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.23 3.34 -0.34 4.61 0.00 -1.01 -5.02 121.76 121.11 1u1c s ALA 149 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 1u1c s ALA 149 Cb -0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 1u1c s ALA 149 CO 0.00 0.34 1.52 0.99 0.00 0.00 0.00 175.76 178.61 1u1c s THR 150 N -1.93 3.80 -0.04 0.00 2.01 -1.26 -4.77 115.64 113.45 1u1c s THR 150 Ca 0.53 0.85 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1u1c s THR 150 Cb -0.11 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1u1c s THR 150 CO 0.18 -0.56 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.43 1u1c s THR 151 N 5.56 2.28 -0.05 -0.82 2.01 -1.26 -1.33 115.64 122.03 1u1c s THR 151 Ca 0.67 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.70 1u1c s THR 151 Cb -0.18 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1u1c s THR 151 CO 0.31 0.58 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.61 1u1c s HIS 152 N -0.49 2.06 -0.15 4.92 3.76 -0.71 -5.00 115.29 119.69 1u1c s HIS 152 Ca 0.06 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1u1c s HIS 152 Cb -0.11 -1.37 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1u1c s HIS 152 CO 0.01 -0.20 -0.18 0.08 -0.85 0.00 0.00 174.74 173.60 1u1c s VAL 153 N -0.04 2.46 -2.31 -0.90 1.01 -1.26 -0.86 120.40 118.50 1u1c s VAL 153 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1u1c s VAL 153 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1u1c s VAL 153 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1c n GLY 154 N 4.01 -0.61 3.82 4.51 0.00 -0.82 -4.97 105.19 111.12 1u1c n GLY 154 Ca -0.19 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.57 4.85 -0.05 1.61 1.01 -1.26 -1.23 120.40 121.77 1u1c s VAL 155 Ca 0.00 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1u1c s VAL 155 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1u1c s VAL 155 CO 0.00 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 1u1c s THR 156 N -1.03 2.59 -0.31 3.92 2.01 -0.87 -0.77 115.64 121.20 1u1c s THR 156 Ca 0.27 -0.89 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1u1c s THR 156 Cb -0.18 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1u1c s THR 156 CO 0.17 0.58 0.63 0.00 -0.69 0.00 0.00 174.62 175.30 1u1c s ALA 157 N -0.52 3.53 -0.35 7.40 0.00 0.21 0.42 121.76 132.45 1u1c s ALA 157 Ca 0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1u1c s ALA 157 Cb -0.11 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1u1c s ALA 157 CO 0.01 -1.07 0.15 0.45 0.00 0.00 0.00 175.76 175.30 1u1c s SER 158 N 1.64 5.50 -0.08 0.00 0.15 -0.66 -2.01 113.70 118.25 1u1c s SER 158 Ca 0.25 -1.06 -0.01 0.00 0.70 0.00 0.00 55.95 55.83 1u1c s SER 158 Cb -0.15 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1u1c s SER 158 CO 0.12 -0.35 -0.02 -0.55 1.20 0.00 0.00 173.24 173.64 1u1c s SER 159 N 1.47 5.07 0.00 5.45 0.15 0.22 -1.49 113.70 124.57 1u1c s SER 159 Ca 0.00 0.09 0.24 0.00 0.70 0.00 0.00 55.95 56.99 1u1c s SER 159 Cb -0.19 -1.38 1.45 0.00 -1.71 0.00 0.00 66.02 64.18 1u1c s SER 159 CO 0.05 0.37 1.84 0.47 1.20 0.00 0.00 173.24 177.17 1u1c n ASP 160 N 2.12 0.00 -3.85 5.45 9.92 -0.70 -4.36 116.55 125.13 1u1c n ASP 160 Ca -0.18 -0.91 -0.11 0.00 -0.53 0.00 0.00 54.79 53.06 1u1c n ASP 160 Cb 0.53 0.00 -0.10 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 0.05 -3.53 -1.32 -1.26 -5.03 115.64 102.63 1u1c s THR 161 Ca 0.36 -0.63 0.08 0.00 -1.21 0.00 0.00 61.69 60.29 1u1c s THR 161 Cb 0.17 -0.45 -0.22 0.00 -1.51 0.00 0.00 72.50 70.48 1u1c s THR 161 CO 0.28 -0.35 1.02 0.15 -2.21 0.00 0.00 174.62 173.52 1u1c h PHE 162 N 4.28 0.05 0.00 9.09 3.57 -1.97 -3.38 116.94 128.58 1u1c h PHE 162 Ca -0.30 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1u1c h PHE 162 Cb 1.19 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1c h PHE 162 CO 0.58 1.04 0.00 0.66 -2.23 0.00 0.00 178.31 178.36 1u1c n TYR 163 N -3.26 0.00 -0.26 0.41 4.02 -1.26 -4.36 117.16 112.45 1u1c n TYR 163 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.75 1u1c n TYR 163 Cb 0.99 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.36 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 1.12 0.00 -0.72 0.13 -1.87 0.16 132.00 130.83 1u1c h PRO 164 Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1u1c h PRO 164 Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 1u1c h PRO 164 CO 0.00 0.95 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1u1c n GLY 165 N -0.77 -1.10 0.78 1.56 0.00 -1.26 -0.56 105.19 103.84 1u1c n GLY 165 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.08 2.84 -3.99 1.61 6.02 -0.89 -4.92 117.38 115.96 1u1c n GLN 166 Ca 0.01 -2.63 -0.34 0.00 -0.01 0.00 0.00 57.00 54.04 1u1c n GLN 166 Cb 0.16 -1.68 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 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 -0.33 -1.51 -3.46 -1.09 2.13 0.27 -4.94 120.64 111.72 1u1c n GLU 167 Ca 0.18 0.26 -0.37 0.00 0.66 0.00 0.00 57.16 57.90 1u1c n GLU 167 Cb 0.76 -3.70 -0.06 0.00 0.27 0.00 0.00 31.44 28.71 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 -6.82 4.21 -0.00 5.31 0.52 0.52 -4.98 118.95 117.71 1u1c s ARG 168 Ca 0.25 0.26 0.13 0.00 -0.52 0.00 0.00 55.73 55.86 1u1c s ARG 168 Cb -0.11 -3.39 -0.16 0.00 0.52 0.00 0.00 34.95 31.81 1u1c s ARG 168 CO 0.93 0.29 0.52 0.66 0.02 0.00 0.00 175.30 177.72 1u1c n TYR 169 N 3.31 0.00 -1.26 -0.53 4.02 -1.26 -4.38 117.16 117.05 1u1c n TYR 169 Ca -0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.42 1u1c n TYR 169 Cb 0.52 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1u1c n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1c n ASP 170 N -1.42 5.14 -3.90 7.72 5.75 -1.26 -4.24 116.55 124.33 1u1c n ASP 170 Ca 0.02 -2.61 -0.24 0.00 -0.01 0.00 0.00 54.79 51.95 1u1c n ASP 170 Cb 0.23 -1.38 -0.08 0.00 -1.03 0.00 0.00 41.12 38.86 1u1c n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1c s THR 171 N 3.37 0.41 0.09 2.12 -4.23 -1.26 -5.02 115.64 111.11 1u1c s THR 171 Ca 0.54 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.83 1u1c s THR 171 Cb 0.14 -2.37 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 1u1c s THR 171 CO -0.02 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 175.95 1u1c h TYR 172 N 1.87 0.12 0.04 3.99 5.03 -1.99 -3.18 116.97 122.86 1u1c h TYR 172 Ca -0.32 -0.00 -0.26 0.00 2.58 0.00 0.00 58.73 60.73 1u1c h TYR 172 Cb 1.26 -0.04 0.01 0.00 1.55 0.00 0.00 36.73 39.52 1u1c h TYR 172 CO 1.60 0.16 -1.07 0.66 -1.32 0.00 0.00 178.16 178.20 1u1c h SER 173 N 0.04 0.66 -0.36 -2.11 4.64 -1.97 -3.48 113.55 110.98 1u1c h SER 173 Ca 0.03 -0.57 -0.11 0.00 -0.47 0.00 0.00 61.79 60.67 1u1c h SER 173 Cb 0.08 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 1u1c h SER 173 CO -0.00 1.38 -0.11 0.61 -0.87 0.00 0.00 176.83 177.84 1u1c n GLY 174 N 1.14 0.69 3.11 -0.77 0.00 -1.20 -5.03 105.19 103.12 1u1c n GLY 174 Ca -0.09 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.79 0.66 -0.05 1.61 1.04 -1.26 -4.94 118.95 113.21 1u1c s ARG 175 Ca 0.00 -1.20 0.04 0.00 -1.04 0.00 0.00 55.73 53.53 1u1c s ARG 175 Cb 0.00 0.23 -0.00 0.00 -2.04 0.00 0.00 34.95 33.14 1u1c s ARG 175 CO 0.00 -0.14 -0.16 0.08 -0.04 0.00 0.00 175.30 175.04 1u1c s VAL 176 N -3.92 1.34 0.44 4.99 1.01 -1.26 -4.92 120.40 118.08 1u1c s VAL 176 Ca 0.08 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 1u1c s VAL 176 Cb 0.08 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 1u1c s VAL 176 CO -0.09 0.39 1.03 0.55 0.00 0.00 0.00 175.10 176.97 1u1c n VAL 177 N 3.27 2.57 -0.31 2.92 3.14 -1.26 -4.66 118.33 123.99 1u1c n VAL 177 Ca -0.19 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.82 1u1c n VAL 177 Cb 0.53 -1.19 0.27 0.00 -1.06 0.00 0.00 33.84 32.39 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 1.48 0.08 -0.94 1.45 2.43 -2.00 -0.78 114.38 116.10 1u1c h ARG 178 Ca -0.45 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.87 1u1c h ARG 178 Cb 1.34 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 1u1c h ARG 178 CO 0.56 0.05 0.60 1.25 -1.51 0.00 0.00 179.97 180.92 1u1c h HIS 179 N 0.08 0.90 -0.13 2.20 2.76 -2.02 -1.72 115.15 117.22 1u1c h HIS 179 Ca 0.56 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1u1c h HIS 179 Cb 1.13 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1u1c h HIS 179 CO -0.40 0.30 0.00 1.19 -1.30 0.00 0.00 177.93 177.72 1u1c n PHE 180 N -4.60 0.14 -1.92 5.26 3.01 -0.33 -4.82 117.46 114.19 1u1c n PHE 180 Ca 0.19 -0.07 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1u1c n PHE 180 Cb 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.93 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 -1.86 4.19 -0.23 -1.08 -0.14 -0.65 -2.02 119.74 117.94 1u1c s LYS 181 Ca 0.31 2.32 0.00 0.00 -1.36 0.00 0.00 55.97 57.25 1u1c s LYS 181 Cb 0.21 -3.78 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 1u1c s LYS 181 CO 0.31 -0.79 0.00 0.41 -0.76 0.00 0.00 175.35 174.51 1u1c n GLY 182 N 4.10 0.48 0.21 -3.33 0.00 -1.26 -4.92 105.19 100.47 1u1c n GLY 182 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.59 -0.56 1.61 4.64 -1.72 -2.91 113.55 115.20 1u1c h SER 183 Ca -0.04 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1u1c h SER 183 Cb 0.46 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1u1c h SER 183 CO 0.07 1.03 0.37 -0.03 -0.87 0.00 0.00 176.83 177.40 1u1c h MET 184 N 0.40 0.74 -0.97 4.77 -1.53 -1.91 -1.33 114.93 115.09 1u1c h MET 184 Ca 0.00 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1u1c h MET 184 Cb 1.11 -0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 31.95 1u1c h MET 184 CO 0.11 0.49 0.62 1.49 0.14 0.00 0.00 176.91 179.75 1u1c h GLU 185 N 0.76 1.30 0.18 0.39 4.81 -1.96 -0.25 114.58 119.81 1u1c h GLU 185 Ca 0.21 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1u1c h GLU 185 Cb -0.09 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.01 1u1c h GLU 185 CO -0.05 0.88 -0.09 0.93 -0.73 0.00 0.00 179.01 179.96 1u1c h GLU 186 N 1.33 -0.24 -0.94 1.92 4.39 -1.23 -1.62 114.58 118.19 1u1c h GLU 186 Ca 0.35 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.08 1u1c h GLU 186 Cb -0.11 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1u1c h GLU 186 CO -0.07 -0.13 0.62 -1.49 -1.16 0.00 0.00 179.01 176.78 1u1c h TRP 187 N -0.28 1.19 -0.21 4.33 -0.00 -1.04 -1.73 115.95 118.22 1u1c h TRP 187 Ca -0.03 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.92 1u1c h TRP 187 Cb 0.21 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.16 28.94 1u1c h TRP 187 CO -0.06 0.75 0.04 1.96 -0.00 0.00 0.00 178.44 181.13 1u1c h GLN 188 N 1.28 0.11 0.00 0.49 4.20 -0.91 -1.33 115.11 118.95 1u1c h GLN 188 Ca 0.34 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1u1c h GLN 188 Cb -0.14 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1u1c h GLN 188 CO -0.07 0.07 -0.15 0.00 -0.67 0.00 0.00 178.83 178.01 1u1c h ALA 189 N 1.15 1.38 -0.02 3.87 0.00 -1.01 -2.46 119.26 122.18 1u1c h ALA 189 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u1c h ALA 189 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u1c h ALA 189 CO -0.13 0.18 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 1u1c n MET 190 N -3.82 1.44 -0.80 0.00 2.81 -0.68 -4.92 117.12 111.15 1u1c n MET 190 Ca -0.02 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 1u1c n MET 190 Cb 0.25 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.11 0.58 3.73 3.03 0.00 -0.90 -5.03 105.19 107.72 1u1c n GLY 191 Ca 0.20 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 2.81 0.03 1.61 1.01 -0.58 -4.59 120.40 118.69 1u1c s VAL 192 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1u1c s VAL 192 Cb 0.00 -3.40 -0.34 0.00 0.00 0.00 0.00 36.38 32.65 1u1c s VAL 192 CO 0.00 0.07 1.01 0.24 0.00 0.00 0.00 175.10 176.42 1u1c h MET 193 N 6.09 0.54 -2.73 2.72 0.00 -1.28 -3.42 114.93 116.85 1u1c h MET 193 Ca -0.44 -0.85 0.09 0.00 0.00 0.00 0.00 59.70 58.50 1u1c h MET 193 Cb 1.21 0.31 -0.08 0.00 0.00 0.00 0.00 31.60 33.04 1u1c h MET 193 CO 0.85 1.40 0.33 0.54 0.00 0.00 0.00 176.91 180.03 1u1c s ASN 194 N -7.47 -0.29 -0.13 1.22 6.03 -1.26 -0.95 114.94 112.09 1u1c s ASN 194 Ca -0.10 -0.41 -0.01 0.00 -1.03 0.00 0.00 52.86 51.32 1u1c s ASN 194 Cb 0.04 0.61 -0.02 0.00 -3.03 0.00 0.00 41.25 38.85 1u1c s ASN 194 CO 0.93 -1.09 -0.12 -0.31 -2.03 0.00 0.00 177.10 174.48 1u1c s TYR 195 N -3.63 2.84 0.00 1.54 4.12 -0.19 -0.62 117.35 121.41 1u1c s TYR 195 Ca 0.09 -0.58 0.00 0.00 0.02 0.00 0.00 57.07 56.61 1u1c s TYR 195 Cb -0.03 -1.85 0.00 0.00 -1.52 0.00 0.00 41.96 38.55 1u1c s TYR 195 CO 0.01 -0.17 0.00 -0.85 0.02 0.00 0.00 175.55 174.56 1u1c n GLU 196 N 3.48 0.00 0.00 -0.62 -0.00 -0.85 -2.64 120.64 120.01 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 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 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 1.27 0.00 3.44 2.81 -1.26 -0.61 117.12 122.77 1u1c n MET 197 Ca 0.00 -0.92 0.00 0.00 -1.81 0.00 0.00 57.70 54.97 1u1c n MET 197 Cb 0.00 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 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 -0.21 2.88 -0.16 0.03 4.71 -1.26 -3.25 120.64 123.38 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 0.38 -0.73 -0.00 0.00 -1.01 0.00 0.00 31.44 30.08 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 0.72 -0.49 1.62 4.64 -1.95 -2.48 113.55 115.62 1u1c h SER 199 Ca 0.00 -0.25 0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1u1c h SER 199 Cb 0.12 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 61.95 1u1c h SER 199 CO 0.00 0.79 0.11 0.00 -0.87 0.00 0.00 176.83 176.85 1u1c h ALA 200 N 0.96 0.55 0.06 5.18 0.00 -1.87 0.15 119.26 124.28 1u1c h ALA 200 Ca 0.14 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1u1c h ALA 200 Cb 0.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u1c h ALA 200 CO 0.01 -0.30 -0.03 1.15 0.00 0.00 0.00 179.25 180.08 1u1c h THR 201 N 0.25 1.04 0.33 0.00 2.02 -1.91 -2.16 112.91 112.48 1u1c h THR 201 Ca 0.24 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1u1c h THR 201 Cb 0.31 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1u1c h THR 201 CO -0.31 0.08 -0.16 0.25 0.37 0.00 0.00 175.52 175.76 1u1c h LEU 202 N -0.22 -0.37 -0.65 2.58 5.85 -1.04 -1.51 115.31 119.94 1u1c h LEU 202 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1u1c h LEU 202 Cb 0.19 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1u1c h LEU 202 CO 0.01 -0.26 0.26 -0.07 -0.34 0.00 0.00 178.44 178.05 1u1c h LEU 203 N -0.45 0.89 -0.17 2.25 3.38 -0.79 -1.51 115.31 118.91 1u1c h LEU 203 Ca -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1u1c h LEU 203 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1u1c h LEU 203 CO 0.07 0.81 0.03 0.74 0.09 0.00 0.00 178.44 180.19 1u1c h THR 204 N 0.91 1.22 0.00 0.22 2.02 -1.36 -0.57 112.91 115.34 1u1c h THR 204 Ca 0.22 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1u1c h THR 204 Cb 0.20 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1u1c h THR 204 CO -0.02 0.21 -0.35 0.00 0.37 0.00 0.00 175.52 175.74 1u1c h MET 205 N 0.07 0.00 0.14 6.66 -0.00 -1.15 -2.04 114.93 118.61 1u1c h MET 205 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.54 1u1c h MET 205 Cb 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.91 1u1c h MET 205 CO 0.00 0.35 -0.98 0.00 -0.00 0.00 0.00 176.91 176.28 1u1c h ALA 207 N 0.05 1.15 -0.21 0.00 0.00 -1.04 0.36 119.26 119.57 1u1c h ALA 207 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u1c h ALA 207 Cb 1.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1u1c h ALA 207 CO 0.14 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 1u1c n SER 208 N -3.54 2.93 0.00 0.00 3.41 -0.77 -4.28 113.62 111.36 1u1c n SER 208 Ca -0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1u1c n SER 208 Cb 0.34 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 1.20 1.11 -2.23 4.33 6.02 -1.03 -5.02 117.38 121.76 1u1c n GLN 209 Ca 0.17 -0.87 -0.04 0.00 -0.01 0.00 0.00 57.00 56.25 1u1c n GLN 209 Cb 0.55 -0.80 0.00 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 -0.21 0.29 3.47 1.08 0.00 -1.01 -5.04 105.19 103.77 1u1c n GLY 210 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.49 2.68 -0.05 0.99 1.43 0.08 -5.06 118.68 117.26 1u1c s LEU 211 Ca 0.03 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 1u1c s LEU 211 Cb -0.01 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1u1c s LEU 211 CO 0.03 0.27 0.66 -0.13 0.23 0.00 0.00 176.35 177.42 1u1c s ARG 212 N -1.33 4.41 -0.01 1.70 0.52 -0.46 -3.93 118.95 119.85 1u1c s ARG 212 Ca 0.14 0.82 0.01 0.00 -0.52 0.00 0.00 55.73 56.18 1u1c s ARG 212 Cb -0.11 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.95 1u1c s ARG 212 CO 0.05 0.14 -0.02 0.00 0.02 0.00 0.00 175.30 175.49 1u1c s ALA 213 N 0.55 0.26 0.20 2.13 0.00 -1.26 -0.37 121.76 123.27 1u1c s ALA 213 Ca 0.35 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.35 1u1c s ALA 213 Cb -0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1u1c s ALA 213 CO 0.17 0.03 -0.17 0.20 0.00 0.00 0.00 175.76 175.99 1u1c s GLY 214 N 0.21 1.48 -0.05 0.00 0.00 -0.35 -0.48 107.32 108.13 1u1c s GLY 214 Ca -0.02 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.09 1u1c s GLY 214 CO -0.01 -1.68 0.01 -0.29 0.00 0.00 0.00 173.10 171.13 1u1c s MET 215 N -3.18 0.44 0.00 2.90 1.75 -1.26 -1.26 119.30 118.68 1u1c s MET 215 Ca 0.20 0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.78 1u1c s MET 215 Cb -0.04 -0.76 -0.00 0.00 2.84 0.00 0.00 34.83 36.87 1u1c s MET 215 CO 0.08 -0.24 -0.03 0.54 -0.65 0.00 0.00 175.02 174.71 1u1c s VAL 216 N 1.67 0.25 -0.02 10.11 0.11 -0.55 -1.84 120.40 130.14 1u1c s VAL 216 Ca -0.00 -0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 58.72 1u1c s VAL 216 Cb -0.13 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1u1c s VAL 216 CO -0.03 0.01 0.24 0.00 -3.33 0.00 0.00 175.10 171.99 1u1c s ALA 217 N -0.21 -0.60 -0.10 1.54 0.00 -0.42 -1.26 121.76 120.70 1u1c s ALA 217 Ca -0.00 0.22 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 1u1c s ALA 217 Cb -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1u1c s ALA 217 CO -0.00 -0.22 0.19 0.20 0.00 0.00 0.00 175.76 175.93 1u1c s GLY 218 N -1.14 2.21 -0.33 0.00 0.00 -0.97 -0.20 107.32 106.90 1u1c s GLY 218 Ca -0.12 -0.56 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 1u1c s GLY 218 CO 0.03 -0.23 0.84 0.14 0.00 0.00 0.00 173.10 173.89 1u1c s VAL 219 N -0.90 4.71 -0.24 1.40 1.01 -0.07 -2.25 120.40 124.05 1u1c s VAL 219 Ca 0.16 1.17 0.15 0.00 0.00 0.00 0.00 61.98 63.46 1u1c s VAL 219 Cb -0.13 -4.23 -0.21 0.00 0.00 0.00 0.00 36.38 31.82 1u1c s VAL 219 CO 0.05 -0.38 0.42 2.30 0.00 0.00 0.00 175.10 177.50 1u1c n ILE 220 N 5.72 0.00 -3.80 2.22 -5.35 -1.07 0.03 119.36 117.10 1u1c n ILE 220 Ca 0.05 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 1u1c n ILE 220 Cb 0.48 0.44 -0.12 0.00 -1.74 0.00 0.00 39.64 38.70 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 -2.81 -0.01 -0.23 7.28 1.01 -1.24 -4.15 120.40 120.25 1u1c s VAL 221 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1u1c s VAL 221 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1u1c s VAL 221 CO 0.61 0.01 -0.03 0.21 0.00 0.00 0.00 175.10 175.90 1u1c s ASN 222 N 0.23 4.42 0.36 3.32 3.84 -1.26 -0.11 114.94 125.74 1u1c s ASN 222 Ca -0.01 -0.40 0.27 0.00 0.21 0.00 0.00 52.86 52.93 1u1c s ASN 222 Cb -0.02 -1.76 1.18 0.00 -0.55 0.00 0.00 41.25 40.10 1u1c s ASN 222 CO -0.01 -0.03 1.81 0.03 -2.79 0.00 0.00 177.10 176.11 1u1c h ARG 223 N 8.13 0.00 0.00 0.43 2.47 -0.66 -2.62 114.38 122.13 1u1c h ARG 223 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1u1c h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1u1c h ARG 223 CO 0.60 0.00 -0.56 1.79 0.56 0.00 0.00 179.97 182.36 1u1c h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.87 -3.40 112.91 111.03 1u1c h THR 224 Ca 0.00 -0.51 -0.24 0.00 -0.55 0.00 0.00 66.41 65.11 1u1c h THR 224 Cb 0.34 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 67.86 1u1c h THR 224 CO 0.00 0.00 -1.83 0.00 -0.25 0.00 0.00 175.52 173.44 1u1c n GLN 225 N -2.16 0.33 -3.36 4.72 10.64 -1.06 -5.08 117.38 121.41 1u1c n GLN 225 Ca 0.03 0.12 -0.09 0.00 -1.83 0.00 0.00 57.00 55.23 1u1c n GLN 225 Cb 0.44 -1.10 -0.00 0.00 -0.86 0.00 0.00 30.24 28.72 1u1c n GLN 225 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1u1c n GLN 226 N -3.47 0.75 -0.01 2.61 0.00 -1.01 -5.09 117.38 111.15 1u1c n GLN 226 Ca -0.28 -2.02 -0.01 0.00 0.00 0.00 0.00 57.00 54.69 1u1c n GLN 226 Cb 0.73 2.20 -0.01 0.00 0.00 0.00 0.00 30.24 33.16 1u1c n GLN 226 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1u1c n GLU 227 N -0.45 1.74 -2.31 2.61 4.07 -1.26 -4.09 120.64 120.95 1u1c n GLU 227 Ca -0.03 0.01 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 1u1c n GLU 227 Cb 0.47 -1.05 -0.03 0.00 -0.06 0.00 0.00 31.44 30.78 1u1c n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1c s ILE 228 N -2.05 4.01 0.19 6.31 1.01 -1.26 -4.97 121.20 124.45 1u1c s ILE 228 Ca -0.02 1.30 -0.31 0.00 0.00 0.00 0.00 60.65 61.62 1u1c s ILE 228 Cb 0.01 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 1u1c s ILE 228 CO 0.06 -0.06 1.52 -2.84 0.00 0.00 0.00 174.94 173.63 1u1c s PRO 229 N 3.03 4.23 -0.33 2.79 0.02 -1.26 -4.98 135.00 138.50 1u1c s PRO 229 Ca 0.60 2.34 -0.23 0.00 0.02 0.00 0.00 61.00 63.74 1u1c s PRO 229 Cb -0.27 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1u1c s PRO 229 CO 0.22 -0.55 0.76 1.21 -0.33 0.00 0.00 177.00 178.32 1u1c s ASN 230 N 0.87 6.59 0.18 2.53 2.47 -1.26 -4.93 114.94 121.39 1u1c s ASN 230 Ca 0.66 0.50 0.21 0.00 0.42 0.00 0.00 52.86 54.66 1u1c s ASN 230 Cb -0.43 -2.39 0.87 0.00 -1.45 0.00 0.00 41.25 37.85 1u1c s ASN 230 CO 0.36 -0.64 1.65 0.00 -3.72 0.00 0.00 177.10 174.74 1u1c n ALA 231 N 6.25 1.70 0.21 1.71 0.00 -1.26 -0.89 120.51 128.24 1u1c n ALA 231 Ca 0.03 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1u1c n ALA 231 Cb 0.48 -1.35 0.46 0.00 0.00 0.00 0.00 19.45 19.05 1u1c n ALA 231 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u1c h GLU 232 N 0.00 0.00 0.00 0.00 4.22 -2.03 -3.31 114.58 113.46 1u1c h GLU 232 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1u1c h GLU 232 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1u1c h GLU 232 CO 0.00 0.28 0.00 2.41 -2.18 0.00 0.00 179.01 179.52 1u1c n THR 233 N -3.61 0.00 0.31 0.32 -1.04 -0.99 -4.72 114.28 104.55 1u1c n THR 233 Ca -0.01 -0.40 0.19 0.00 -2.04 0.00 0.00 64.05 61.80 1u1c n THR 233 Cb 0.41 1.01 0.92 0.00 -1.82 0.00 0.00 70.33 70.85 1u1c n THR 233 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1u1c h MET 234 N 0.00 0.00 0.20 -2.82 2.86 -1.10 -0.38 114.93 113.69 1u1c h MET 234 Ca 0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 1u1c h MET 234 Cb 0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1u1c h MET 234 CO 0.00 0.00 -1.73 0.87 1.06 0.00 0.00 176.91 177.11 1u1c h LYS 235 N 0.00 0.41 0.02 1.72 1.57 -1.85 -3.36 116.57 115.08 1u1c h LYS 235 Ca 0.00 -0.71 -0.21 0.00 -1.87 0.00 0.00 60.65 57.86 1u1c h LYS 235 Cb 0.25 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1u1c h LYS 235 CO 0.00 1.34 -0.94 1.96 -0.57 0.00 0.00 179.45 181.23 1u1c h GLN 236 N 0.11 0.23 -0.36 3.15 4.20 -1.75 -3.16 115.11 117.53 1u1c h GLN 236 Ca -0.34 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.09 1u1c h GLN 236 Cb 2.11 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.96 1u1c h GLN 236 CO 0.19 1.02 0.19 1.15 -0.67 0.00 0.00 178.83 180.70 1u1c h THR 237 N 0.12 1.15 -0.56 -0.54 2.02 -1.27 -1.06 112.91 112.77 1u1c h THR 237 Ca -0.06 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 1u1c h THR 237 Cb 1.60 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1u1c h THR 237 CO 0.15 0.16 -0.06 -0.33 0.37 0.00 0.00 175.52 175.81 1u1c h GLU 238 N 0.45 1.02 -0.49 6.66 4.39 -1.71 -2.36 114.58 122.54 1u1c h GLU 238 Ca 0.12 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1u1c h GLU 238 Cb 0.09 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1u1c h GLU 238 CO -0.02 1.04 0.01 0.77 -1.16 0.00 0.00 179.01 179.64 1u1c h SER 239 N 0.92 0.78 -0.18 1.42 0.02 -1.48 -0.47 113.55 114.56 1u1c h SER 239 Ca 0.15 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1u1c h SER 239 Cb 0.61 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1u1c h SER 239 CO 0.04 0.84 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.80 1u1c h HIS 240 N 0.76 0.36 -0.12 3.45 2.76 -1.04 -2.68 115.15 118.64 1u1c h HIS 240 Ca 0.15 -0.07 -0.18 0.00 -2.20 0.00 0.00 60.37 58.06 1u1c h HIS 240 Cb 0.45 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1u1c h HIS 240 CO 0.02 0.57 -0.67 0.00 -1.30 0.00 0.00 177.93 176.55 1u1c h ALA 241 N 0.74 0.60 -0.85 5.26 0.00 -1.37 -2.91 119.26 120.73 1u1c h ALA 241 Ca 0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1u1c h ALA 241 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1u1c h ALA 241 CO 0.01 0.73 0.42 0.28 0.00 0.00 0.00 179.25 180.69 1u1c h VAL 242 N 0.35 1.26 -0.63 0.00 2.07 -1.12 -2.06 116.25 116.13 1u1c h VAL 242 Ca -0.02 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1u1c h VAL 242 Cb 1.24 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1u1c h VAL 242 CO 0.12 0.31 0.18 0.50 0.02 0.00 0.00 177.57 178.70 1u1c h LYS 243 N 1.21 0.96 -0.25 1.57 1.63 -1.44 -2.45 116.57 117.81 1u1c h LYS 243 Ca 0.29 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1u1c h LYS 243 Cb 0.11 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1u1c h LYS 243 CO -0.04 0.84 -0.09 0.82 -3.45 0.00 0.00 179.45 177.54 1u1c h ILE 244 N 0.93 1.29 -0.09 2.00 2.04 -1.25 -1.47 117.51 120.96 1u1c h ILE 244 Ca 0.20 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 1u1c h ILE 244 Cb 0.30 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1u1c h ILE 244 CO -0.00 0.35 -0.33 1.62 0.00 0.00 0.00 178.15 179.78 1u1c h VAL 245 N 0.23 1.27 -0.14 1.67 3.04 -1.35 0.68 116.25 121.65 1u1c h VAL 245 Ca 0.06 -1.28 -0.20 0.00 -1.01 0.00 0.00 66.70 64.27 1u1c h VAL 245 Cb 0.57 1.58 0.01 0.00 -2.01 0.00 0.00 31.29 31.44 1u1c h VAL 245 CO 0.03 0.38 -0.68 0.58 -1.01 0.00 0.00 177.57 176.87 1u1c h VAL 246 N 0.15 1.31 -0.43 1.51 2.07 -1.40 -1.87 116.25 117.58 1u1c h VAL 246 Ca 0.02 -1.91 -0.11 0.00 0.82 0.00 0.00 66.70 65.52 1u1c h VAL 246 Cb 0.67 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1u1c h VAL 246 CO 0.05 0.60 -0.16 -0.08 0.02 0.00 0.00 177.57 178.00 1u1c h GLU 247 N 0.40 0.81 -0.30 1.57 4.57 -1.05 -2.38 114.58 118.20 1u1c h GLU 247 Ca -0.04 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 57.73 1u1c h GLU 247 Cb 1.31 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1u1c h GLU 247 CO 0.14 0.91 -0.27 0.00 -1.18 0.00 0.00 179.01 178.61 1u1c h ALA 248 N 1.10 0.96 -0.64 2.92 0.00 -0.89 -2.75 119.26 119.96 1u1c h ALA 248 Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1u1c h ALA 248 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1u1c h ALA 248 CO 0.05 0.61 0.31 0.00 0.00 0.00 0.00 179.25 180.22 1u1c h ALA 249 N 1.17 1.35 -0.50 0.00 0.00 -1.14 -2.24 119.26 117.90 1u1c h ALA 249 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1u1c h ALA 249 Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1u1c h ALA 249 CO 0.06 0.51 0.32 0.00 0.00 0.00 0.00 179.25 180.14 1u1c h ARG 250 N 0.90 0.67 0.00 0.00 3.08 -1.14 -2.45 114.38 115.44 1u1c h ARG 250 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1u1c h ARG 250 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1u1c h ARG 250 CO -0.03 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 1u1c h ARG 251 N 0.69 0.00 -0.02 0.04 3.08 -1.27 -3.28 114.38 113.61 1u1c h ARG 251 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1u1c h ARG 251 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1u1c h ARG 251 CO -0.04 0.00 -0.11 1.28 -1.07 0.00 0.00 179.97 180.03 1u1c n LEU 252 N -3.02 2.46 0.00 3.04 4.77 -0.96 -5.08 117.00 118.20 1u1c n LEU 252 Ca 0.04 -0.94 0.03 0.00 -0.03 0.00 0.00 56.01 55.11 1u1c n LEU 252 Cb 0.51 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.76 1u1c n LEU 252 CO 0.33 0.43 0.39 0.18 -1.33 0.00 0.00 177.39 177.39