#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1g n ASP 5 N 0.00 0.56 -4.39 -3.46 8.00 0.16 -4.95 116.55 112.48 1u1g n ASP 5 Ca 0.00 -0.16 -0.19 0.00 0.71 0.00 0.00 54.79 55.14 1u1g n ASP 5 Cb 0.00 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 1u1g n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u1g s VAL 6 N -3.06 1.08 0.16 2.53 -7.23 -1.24 -5.06 120.40 107.58 1u1g s VAL 6 Ca 0.09 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1u1g s VAL 6 Cb 0.16 -2.60 -0.16 0.00 0.56 0.00 0.00 36.38 34.34 1u1g s VAL 6 CO 0.72 -0.13 1.36 -0.26 -0.31 0.00 0.00 175.10 176.48 1u1g h PHE 7 N 2.29 0.06 0.00 2.82 0.04 -1.95 -3.41 116.94 116.79 1u1g h PHE 7 Ca -0.39 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1u1g h PHE 7 Cb 1.24 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1u1g h PHE 7 CO 0.57 0.92 -0.96 0.72 -0.60 0.00 0.00 178.31 178.96 1u1g n HIS 8 N -3.50 0.00 0.19 -0.55 8.25 -1.26 -4.83 115.22 113.51 1u1g n HIS 8 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 1u1g n HIS 8 Cb 0.85 0.00 0.21 0.00 1.12 0.00 0.00 29.99 32.17 1u1g n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1g h LEU 9 N 0.00 0.00 -0.94 2.41 3.38 -1.93 -3.45 115.31 114.79 1u1g h LEU 9 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u1g h LEU 9 Cb 0.96 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.78 1u1g h LEU 9 CO 0.00 0.30 -0.38 0.61 0.09 0.00 0.00 178.44 179.07 1u1g n GLY 10 N 0.82 0.12 3.23 0.83 0.00 -1.26 -4.71 105.19 104.22 1u1g n GLY 10 Ca 0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1u1g n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1g s LEU 11 N -4.50 2.33 0.28 0.99 1.43 -1.26 -4.83 118.68 113.11 1u1g s LEU 11 Ca 0.32 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1u1g s LEU 11 Cb -0.14 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1u1g s LEU 11 CO 0.41 -0.06 0.09 0.42 0.23 0.00 0.00 176.35 177.44 1u1g s THR 12 N -1.52 3.61 0.35 5.49 -4.23 -1.26 -0.66 115.64 117.41 1u1g s THR 12 Ca 0.04 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1u1g s THR 12 Cb -0.08 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.03 1u1g s THR 12 CO 0.03 -0.32 1.95 0.50 -0.54 0.00 0.00 174.62 176.24 1u1g h LYS 13 N 1.70 0.78 0.00 3.99 3.64 -1.97 -1.94 116.57 122.77 1u1g h LYS 13 Ca -0.45 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1u1g h LYS 13 Cb 1.25 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1u1g h LYS 13 CO 0.61 0.51 -0.16 -0.91 -2.27 0.00 0.00 179.45 177.23 1u1g h ASN 14 N 0.80 0.00 -0.49 4.20 2.35 -1.96 -2.85 115.58 117.63 1u1g h ASN 14 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1u1g h ASN 14 Cb 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1u1g h ASN 14 CO -0.11 0.16 0.29 0.44 -1.65 0.00 0.00 177.43 176.56 1u1g h ASP 15 N 0.00 0.62 1.45 5.81 3.32 -1.76 -2.90 116.42 122.96 1u1g h ASP 15 Ca -0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1u1g h ASP 15 Cb 0.61 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1u1g h ASP 15 CO 0.02 0.49 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.79 1u1g h LEU 16 N 0.71 0.00 2.07 1.55 3.38 -1.59 -3.48 115.31 117.95 1u1g h LEU 16 Ca 0.18 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.80 1u1g h LEU 16 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1u1g h LEU 16 CO -0.03 0.17 -0.48 0.00 0.09 0.00 0.00 178.44 178.19 1u1g n GLN 17 N -3.20 -2.83 -0.12 1.13 6.02 -1.10 -2.28 117.38 115.01 1u1g n GLN 17 Ca 0.02 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 1u1g n GLN 17 Cb 0.52 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.30 1u1g n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1g n GLY 18 N -1.08 0.84 3.77 1.08 0.00 -1.26 -4.86 105.19 103.69 1u1g n GLY 18 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1u1g n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g s ALA 19 N -2.06 3.51 0.00 4.61 0.00 -0.97 -4.94 121.76 121.92 1u1g s ALA 19 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1u1g s ALA 19 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1u1g s ALA 19 CO 0.00 -0.85 0.15 0.25 0.00 0.00 0.00 175.76 175.32 1u1g n THR 20 N 0.59 0.00 -5.20 0.00 -2.24 -1.26 -4.31 114.28 101.85 1u1g n THR 20 Ca 0.01 -0.43 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 1u1g n THR 20 Cb 0.41 1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1u1g n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1g s LEU 21 N -1.08 2.04 -0.02 3.22 0.20 -1.26 0.04 118.68 121.82 1u1g s LEU 21 Ca 0.00 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1u1g s LEU 21 Cb 0.00 -1.28 -0.00 0.00 -0.43 0.00 0.00 46.19 44.48 1u1g s LEU 21 CO 0.00 0.27 -0.09 0.00 -0.29 0.00 0.00 176.35 176.23 1u1g s ALA 22 N -0.37 0.85 -0.18 5.97 0.00 -0.48 -1.93 121.76 125.62 1u1g s ALA 22 Ca 0.03 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 1u1g s ALA 22 Cb -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1u1g s ALA 22 CO 0.01 0.16 0.35 0.42 0.00 0.00 0.00 175.76 176.70 1u1g s ILE 23 N 0.05 5.25 -0.55 0.00 1.01 0.05 -1.49 121.20 125.51 1u1g s ILE 23 Ca -0.01 0.63 0.04 0.00 0.00 0.00 0.00 60.65 61.31 1u1g s ILE 23 Cb -0.07 -3.68 0.14 0.00 0.01 0.00 0.00 42.46 38.86 1u1g s ILE 23 CO 0.00 0.31 0.32 0.68 0.00 0.00 0.00 174.94 176.26 1u1g s VAL 24 N 0.94 2.41 0.86 2.92 -7.23 0.40 -1.84 120.40 118.87 1u1g s VAL 24 Ca 0.18 -3.44 -0.13 0.00 -1.81 0.00 0.00 61.98 56.77 1u1g s VAL 24 Cb -0.14 -2.65 0.12 0.00 0.56 0.00 0.00 36.38 34.27 1u1g s VAL 24 CO 0.06 -0.89 1.22 -2.16 -0.31 0.00 0.00 175.10 173.03 1u1g s PRO 25 N -0.50 1.51 -0.10 4.82 0.04 -1.23 -3.93 135.00 135.60 1u1g s PRO 25 Ca 0.20 -0.03 -0.10 0.00 0.04 0.00 0.00 61.00 61.10 1u1g s PRO 25 Cb -0.19 -1.91 -0.27 0.00 0.04 0.00 0.00 34.50 32.17 1u1g s PRO 25 CO -0.05 -1.89 0.47 0.78 0.04 0.00 0.00 177.00 176.35 1u1g h GLY 26 N -1.27 0.32 -5.85 0.56 0.00 -1.84 -0.99 103.07 94.00 1u1g h GLY 26 Ca -0.46 -0.82 -0.60 0.00 0.00 0.00 0.00 47.33 45.46 1u1g h GLY 26 CO 0.58 0.72 0.41 -0.35 0.00 0.00 0.00 176.54 177.90 1u1g s ASP 27 N -7.10 6.80 0.50 0.19 -1.08 -1.26 -1.72 116.67 113.00 1u1g s ASP 27 Ca -0.21 0.99 0.25 0.00 -0.52 0.00 0.00 52.55 53.07 1u1g s ASP 27 Cb 0.06 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 40.43 1u1g s ASP 27 CO 0.78 -0.48 1.92 -0.65 0.52 0.00 0.00 175.17 177.26 1u1g h PRO 28 N 7.68 0.12 0.00 4.34 0.11 -1.90 -1.75 132.00 140.60 1u1g h PRO 28 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1u1g h PRO 28 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u1g h PRO 28 CO 0.85 0.08 0.00 -0.44 -0.21 0.00 0.00 178.00 178.28 1u1g h ASP 29 N 0.12 0.00 0.73 -2.05 5.19 -1.97 -3.13 116.42 115.31 1u1g h ASP 29 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1u1g h ASP 29 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1u1g h ASP 29 CO -0.05 0.00 -0.28 0.54 -3.12 0.00 0.00 179.24 176.33 1u1g n ARG 30 N -2.85 0.01 -0.08 3.56 1.74 -0.66 -4.20 116.66 114.18 1u1g n ARG 30 Ca 0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 1u1g n ARG 30 Cb 0.40 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1u1g n ARG 30 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u1g h VAL 31 N 0.00 1.21 -0.84 1.55 2.07 -1.62 -2.55 116.25 116.07 1u1g h VAL 31 Ca 0.00 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1u1g h VAL 31 Cb 0.51 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1u1g h VAL 31 CO 0.00 0.22 0.52 -0.08 0.02 0.00 0.00 177.57 178.25 1u1g h GLU 32 N 0.22 1.13 -0.25 1.57 4.81 -1.80 -2.07 114.58 118.19 1u1g h GLU 32 Ca 0.08 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1u1g h GLU 32 Cb 0.27 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1u1g h GLU 32 CO 0.00 0.79 -0.27 0.87 -0.73 0.00 0.00 179.01 179.67 1u1g h LYS 33 N 1.16 0.49 -0.02 1.92 1.57 -1.72 -1.37 116.57 118.59 1u1g h LYS 33 Ca 0.30 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 1u1g h LYS 33 Cb -0.07 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.23 1u1g h LYS 33 CO -0.06 0.72 -0.66 0.82 -0.57 0.00 0.00 179.45 179.70 1u1g h ILE 34 N 0.43 1.39 -0.06 1.86 2.04 -1.30 -3.30 117.51 118.58 1u1g h ILE 34 Ca 0.06 -2.06 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 1u1g h ILE 34 Cb 0.70 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1u1g h ILE 34 CO 0.05 0.61 -0.13 0.00 0.00 0.00 0.00 178.15 178.68 1u1g h ALA 35 N 0.37 1.66 0.00 1.87 0.00 -1.26 -2.80 119.26 119.09 1u1g h ALA 35 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u1g h ALA 35 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u1g h ALA 35 CO 0.13 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1u1g h ALA 36 N 1.78 1.00 0.00 0.00 0.00 -1.32 -2.25 119.26 118.46 1u1g h ALA 36 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u1g h ALA 36 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u1g h ALA 36 CO 0.02 0.00 -0.23 -0.07 0.00 0.00 0.00 179.25 178.97 1u1g h LEU 37 N 0.00 0.00-10.56 0.00 -0.00 -1.63 -3.46 115.31 99.66 1u1g h LEU 37 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.41 1u1g h LEU 37 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.05 1u1g h LEU 37 CO 0.00 0.23 -0.16 -0.04 -0.00 0.00 0.00 178.44 178.47 1u1g s MET 38 N -3.33 2.49 0.35 1.13 -1.94 -0.85 -5.10 119.30 112.05 1u1g s MET 38 Ca 0.03 -1.51 -0.20 0.00 -1.71 0.00 0.00 55.69 52.30 1u1g s MET 38 Cb 0.08 -2.67 -0.10 0.00 2.01 0.00 0.00 34.83 34.15 1u1g s MET 38 CO 0.67 -0.64 0.86 -0.51 -0.01 0.00 0.00 175.02 175.39 1u1g s ASP 39 N -4.54 6.99 -1.28 3.03 1.01 -0.16 -4.40 116.67 117.32 1u1g s ASP 39 Ca 0.59 1.57 -0.14 0.00 0.71 0.00 0.00 52.55 55.28 1u1g s ASP 39 Cb -0.07 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1u1g s ASP 39 CO 0.36 -0.21 0.58 0.29 0.21 0.00 0.00 175.17 176.40 1u1g n LYS 40 N -0.15 -1.85 -2.44 8.23 5.02 -1.26 0.85 118.16 126.56 1u1g n LYS 40 Ca 0.04 0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 56.27 1u1g n LYS 40 Cb 0.53 -3.98 -0.04 0.00 -0.02 0.00 0.00 35.03 31.52 1u1g n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1g s PRO 41 N -6.53 4.54 -0.06 1.97 0.04 -1.26 -4.39 135.00 129.30 1u1g s PRO 41 Ca 0.26 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1u1g s PRO 41 Cb -0.11 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1u1g s PRO 41 CO 0.90 -0.02 0.24 0.54 0.04 0.00 0.00 177.00 178.70 1u1g s VAL 42 N -0.12 0.03 0.27 -0.36 0.11 0.34 -5.00 120.40 115.66 1u1g s VAL 42 Ca 0.51 -0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 1u1g s VAL 42 Cb -0.31 -0.42 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 1u1g s VAL 42 CO 0.36 -0.12 1.00 -0.75 -3.33 0.00 0.00 175.10 172.25 1u1g s LYS 43 N -0.44 4.73 -0.07 1.54 2.47 -1.26 -0.46 119.74 126.25 1u1g s LYS 43 Ca -0.05 1.57 -0.06 0.00 -1.56 0.00 0.00 55.97 55.87 1u1g s LYS 43 Cb -0.04 -3.17 -0.04 0.00 -1.46 0.00 0.00 37.83 33.13 1u1g s LYS 43 CO 0.01 0.37 -0.14 1.28 0.16 0.00 0.00 175.35 177.03 1u1g n LEU 44 N 1.23 1.07 -3.51 5.43 4.77 -0.49 -4.87 117.00 120.64 1u1g n LEU 44 Ca -0.01 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1u1g n LEU 44 Cb 0.47 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1u1g n LEU 44 CO 0.50 -0.11 0.32 0.00 -1.33 0.00 0.00 177.39 176.77 1u1g s ALA 45 N -2.27 -1.39 -0.22 -1.18 0.00 -1.15 -5.02 121.76 110.52 1u1g s ALA 45 Ca -0.14 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1u1g s ALA 45 Cb 0.04 0.67 0.11 0.00 0.00 0.00 0.00 23.12 23.94 1u1g s ALA 45 CO 0.19 -0.65 0.28 0.45 0.00 0.00 0.00 175.76 176.02 1u1g s SER 46 N -2.48 0.96 -0.03 0.00 0.15 -1.26 -1.00 113.70 110.04 1u1g s SER 46 Ca -0.01 -0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1u1g s SER 46 Cb -0.00 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1u1g s SER 46 CO -0.09 -0.32 0.03 -1.00 1.20 0.00 0.00 173.24 173.06 1u1g s HIS 47 N 2.41 0.17 0.00 3.44 3.76 -0.46 -5.01 115.29 119.59 1u1g s HIS 47 Ca 0.09 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 1u1g s HIS 47 Cb -0.16 -0.40 0.00 0.00 1.11 0.00 0.00 32.58 33.14 1u1g s HIS 47 CO -0.14 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.14 1u1g n ARG 48 N 4.56 0.00 -0.08 1.40 5.12 -1.26 -1.04 116.66 125.35 1u1g n ARG 48 Ca -0.19 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.80 1u1g n ARG 48 Cb 0.50 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 32.07 1u1g n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1u1g n GLU 49 N 14.00 1.50 -3.59 5.56 0.00 -1.26 -4.77 120.64 132.07 1u1g n GLU 49 Ca 0.00 -0.76 -0.40 0.00 0.00 0.00 0.00 57.16 56.00 1u1g n GLU 49 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 31.44 30.08 1u1g n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1g s PHE 50 N -1.78 3.35 -0.14 -1.84 0.40 -0.21 -4.15 117.98 113.62 1u1g s PHE 50 Ca 0.23 -1.56 -0.02 0.00 -0.60 0.00 0.00 56.93 54.97 1u1g s PHE 50 Cb 0.12 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.59 1u1g s PHE 50 CO 0.17 -0.87 -0.07 0.99 0.70 0.00 0.00 175.22 176.15 1u1g s THR 51 N 1.42 3.60 -0.07 0.64 2.01 -1.26 -1.36 115.64 120.62 1u1g s THR 51 Ca 0.03 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1u1g s THR 51 Cb -0.23 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1u1g s THR 51 CO 0.02 0.52 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.36 1u1g s THR 52 N 0.20 1.85 0.08 -0.82 2.01 -0.17 -1.73 115.64 117.05 1u1g s THR 52 Ca -0.04 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.10 1u1g s THR 52 Cb -0.14 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1u1g s THR 52 CO 0.04 0.52 -0.19 0.26 -0.69 0.00 0.00 174.62 174.56 1u1g s TRP 53 N 0.11 1.61 -0.02 4.92 0.52 0.12 -1.39 118.94 124.81 1u1g s TRP 53 Ca -0.10 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.66 1u1g s TRP 53 Cb -0.15 -0.91 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 1u1g s TRP 53 CO 0.05 0.13 -0.14 0.50 0.02 0.00 0.00 176.95 177.52 1u1g s ARG 54 N -1.63 2.42 0.26 4.98 3.52 0.39 -0.90 118.95 127.99 1u1g s ARG 54 Ca 0.04 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 1u1g s ARG 54 Cb -0.09 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 1u1g s ARG 54 CO 0.03 0.60 0.29 0.00 -0.81 0.00 0.00 175.30 175.41 1u1g n ALA 55 N 2.00 0.17 -3.23 6.12 0.00 -0.18 -0.50 120.51 124.88 1u1g n ALA 55 Ca -0.17 -1.37 -0.25 0.00 0.00 0.00 0.00 53.44 51.65 1u1g n ALA 55 Cb 0.52 1.11 -0.16 0.00 0.00 0.00 0.00 19.45 20.92 1u1g n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u1g s GLU 56 N -2.83 1.75 -0.19 0.00 2.12 0.25 -0.48 118.70 119.31 1u1g s GLU 56 Ca 0.27 -0.49 -0.00 0.00 0.36 0.00 0.00 54.97 55.10 1u1g s GLU 56 Cb 0.00 -1.46 0.05 0.00 0.26 0.00 0.00 34.13 32.98 1u1g s GLU 56 CO 0.19 0.11 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.79 1u1g s LEU 57 N 0.41 1.91 -1.54 2.70 2.96 0.13 -0.98 118.68 124.25 1u1g s LEU 57 Ca -0.11 -0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 52.85 1u1g s LEU 57 Cb -0.14 -1.02 0.10 0.00 0.50 0.00 0.00 46.19 45.63 1u1g s LEU 57 CO 0.03 -0.19 0.90 0.47 -1.32 0.00 0.00 176.35 176.25 1u1g n ASP 58 N 4.80 -4.56 0.00 3.68 10.43 -1.26 -1.37 116.55 128.27 1u1g n ASP 58 Ca -0.12 -0.77 0.00 0.00 2.57 0.00 0.00 54.79 56.47 1u1g n ASP 58 Cb 0.47 -3.66 0.00 0.00 1.84 0.00 0.00 41.12 39.77 1u1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1g n GLY 59 N -1.59 0.85 3.37 0.44 0.00 -1.26 -5.04 105.19 101.95 1u1g n GLY 59 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1u1g n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1g s LYS 60 N -0.25 2.88 0.32 1.61 1.02 -0.47 -5.09 119.74 119.75 1u1g s LYS 60 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 54.95 1u1g s LYS 60 Cb 0.00 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 1u1g s LYS 60 CO 0.00 0.39 1.31 -1.25 -0.92 0.00 0.00 175.35 174.88 1u1g s PRO 61 N -0.13 4.35 0.03 -1.68 0.04 -1.26 0.17 135.00 136.52 1u1g s PRO 61 Ca -0.02 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1u1g s PRO 61 Cb -0.14 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1u1g s PRO 61 CO 0.04 -0.20 -0.07 0.08 0.04 0.00 0.00 177.00 176.88 1u1g s VAL 62 N -1.00 0.52 -0.04 -0.36 1.01 0.36 -4.47 120.40 116.42 1u1g s VAL 62 Ca 0.50 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1u1g s VAL 62 Cb -0.40 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1u1g s VAL 62 CO 0.51 -0.24 -0.01 -0.63 0.00 0.00 0.00 175.10 174.73 1u1g s ILE 63 N -1.04 4.14 -0.12 2.22 -1.09 -0.81 -1.01 121.20 123.49 1u1g s ILE 63 Ca -0.07 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1u1g s ILE 63 Cb -0.08 -2.78 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1u1g s ILE 63 CO 0.00 0.50 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.33 1u1g s VAL 64 N -0.96 1.83 -0.08 2.92 1.01 -0.08 -0.77 120.40 124.27 1u1g s VAL 64 Ca 0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1u1g s VAL 64 Cb -0.11 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1u1g s VAL 64 CO 0.06 0.51 0.16 0.00 0.00 0.00 0.00 175.10 175.83 1u1g s SER 66 N 1.46 7.18 -0.05 0.00 1.04 -0.71 -3.58 113.70 119.04 1u1g s SER 66 Ca -0.06 1.86 0.16 0.00 0.48 0.00 0.00 55.95 58.39 1u1g s SER 66 Cb -0.12 -2.58 -0.24 0.00 0.10 0.00 0.00 66.02 63.18 1u1g s SER 66 CO -0.06 -0.18 0.29 0.35 0.98 0.00 0.00 173.24 174.62 1u1g n THR 67 N 0.31 0.24 -0.05 2.02 -2.24 -0.37 -4.39 114.28 109.79 1u1g n THR 67 Ca 0.03 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1u1g n THR 67 Cb 0.50 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1u1g n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1g n GLY 68 N 1.67 -1.33 3.71 3.38 0.00 -0.70 -3.49 105.19 108.43 1u1g n GLY 68 Ca -0.08 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1u1g n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1g s ILE 69 N -1.10 4.95 0.00 -0.61 1.01 -1.26 -4.70 121.20 119.49 1u1g s ILE 69 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1u1g s ILE 69 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1u1g s ILE 69 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1u1g n GLY 70 N 3.08 2.51 0.25 6.18 0.00 -1.26 -4.71 105.19 111.25 1u1g n GLY 70 Ca 0.02 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 1u1g n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1g h GLY 71 N 0.00 0.94 0.45 -0.02 0.00 -1.88 -2.79 103.07 99.77 1u1g h GLY 71 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.10 1u1g h GLY 71 CO 0.00 0.16 -0.28 -2.55 0.00 0.00 0.00 176.54 173.87 1u1g h PRO 72 N 0.67 -0.46 -0.01 4.80 0.11 -1.95 0.12 132.00 135.28 1u1g h PRO 72 Ca 0.28 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 1u1g h PRO 72 Cb 0.16 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1u1g h PRO 72 CO -0.17 -0.31 -0.53 0.66 -0.21 0.00 0.00 178.00 177.45 1u1g h SER 73 N -0.48 0.04 -0.68 -2.05 4.64 -1.82 -2.77 113.55 110.43 1u1g h SER 73 Ca 0.04 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u1g h SER 73 Cb 0.52 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1u1g h SER 73 CO -0.19 0.56 0.44 0.74 -0.87 0.00 0.00 176.83 177.51 1u1g h THR 74 N 0.03 1.18 -0.30 2.95 2.02 -1.21 -2.41 112.91 115.17 1u1g h THR 74 Ca -0.00 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1u1g h THR 74 Cb 0.94 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1u1g h THR 74 CO 0.07 0.18 -0.09 0.77 0.37 0.00 0.00 175.52 176.82 1u1g h SER 75 N 0.93 0.48 -0.14 4.18 4.64 -0.49 -1.17 113.55 121.98 1u1g h SER 75 Ca 0.25 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1u1g h SER 75 Cb -0.09 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1u1g h SER 75 CO -0.05 0.61 0.00 0.40 -0.87 0.00 0.00 176.83 176.92 1u1g h ILE 76 N 0.47 1.25 -0.30 0.95 2.04 -1.33 -2.63 117.51 117.95 1u1g h ILE 76 Ca 0.09 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1u1g h ILE 76 Cb 0.44 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1u1g h ILE 76 CO 0.02 0.24 0.15 0.00 0.00 0.00 0.00 178.15 178.56 1u1g h ALA 77 N 0.76 0.39 -0.60 1.87 0.00 -1.14 -2.26 119.26 118.28 1u1g h ALA 77 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1u1g h ALA 77 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u1g h ALA 77 CO 0.01 -0.06 0.10 0.28 0.00 0.00 0.00 179.25 179.58 1u1g h VAL 78 N 0.36 1.26 -0.25 0.00 2.07 -1.29 -1.75 116.25 116.64 1u1g h VAL 78 Ca 0.10 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1u1g h VAL 78 Cb 0.10 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1u1g h VAL 78 CO -0.01 0.37 0.03 -0.08 0.02 0.00 0.00 177.57 177.90 1u1g h GLU 79 N 0.90 0.42 -0.08 1.57 4.57 -1.41 -1.41 114.58 119.14 1u1g h GLU 79 Ca 0.18 -0.12 -0.13 0.00 -1.18 0.00 0.00 59.36 58.11 1u1g h GLU 79 Cb 0.42 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1u1g h GLU 79 CO 0.01 0.55 -0.55 0.93 -1.18 0.00 0.00 179.01 178.77 1u1g h GLU 80 N 0.22 0.23 -0.45 1.92 5.08 -1.37 -1.60 114.58 118.61 1u1g h GLU 80 Ca 0.08 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1u1g h GLU 80 Cb 0.34 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1u1g h GLU 80 CO 0.01 0.72 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.52 1u1g h LEU 81 N 0.18 0.85 -1.04 1.33 3.38 -1.29 -2.62 115.31 116.10 1u1g h LEU 81 Ca 0.00 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1u1g h LEU 81 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1u1g h LEU 81 CO 0.09 1.00 -0.08 0.00 0.09 0.00 0.00 178.44 179.54 1u1g h ALA 82 N 1.07 1.20 -0.23 1.53 0.00 -0.91 -1.51 119.26 120.41 1u1g h ALA 82 Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1u1g h ALA 82 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1u1g h ALA 82 CO 0.05 0.52 -0.06 1.96 0.00 0.00 0.00 179.25 181.72 1u1g h GLN 83 N 0.56 0.36 0.00 0.00 4.20 -1.16 -3.00 115.11 116.06 1u1g h GLN 83 Ca 0.11 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1u1g h GLN 83 Cb 0.47 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1u1g h GLN 83 CO 0.03 0.43 -0.30 1.28 -0.67 0.00 0.00 178.83 179.60 1u1g n LEU 84 N -4.29 0.31 0.00 1.46 4.77 -0.78 -4.93 117.00 113.54 1u1g n LEU 84 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1u1g n LEU 84 Cb 0.24 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u1g n LEU 84 CO 0.38 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1u1g n GLY 85 N 1.49 0.55 3.73 -0.72 0.00 -0.83 -4.83 105.19 104.58 1u1g n GLY 85 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1u1g n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1g s ILE 86 N -1.48 3.68 0.00 -0.61 -1.09 -0.64 -4.46 121.20 116.60 1u1g s ILE 86 Ca 0.00 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1u1g s ILE 86 Cb 0.00 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1u1g s ILE 86 CO 0.00 0.19 0.00 0.54 -1.23 0.00 0.00 174.94 174.44 1u1g n ARG 87 N 2.84 1.28 -4.96 2.79 5.12 0.11 -4.31 116.66 119.52 1u1g n ARG 87 Ca 0.05 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.68 1u1g n ARG 87 Cb 0.45 -0.89 -0.17 0.00 -1.16 0.00 0.00 32.46 30.69 1u1g n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1g s THR 88 N -1.65 1.74 -0.11 0.55 2.01 -0.71 -1.46 115.64 116.01 1u1g s THR 88 Ca 0.00 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1u1g s THR 88 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1u1g s THR 88 CO 0.00 0.49 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.89 1u1g s PHE 89 N 0.50 2.14 -0.19 4.92 0.40 0.35 -1.39 117.98 124.71 1u1g s PHE 89 Ca -0.16 -1.02 0.01 0.00 -0.60 0.00 0.00 56.93 55.16 1u1g s PHE 89 Cb -0.17 -1.51 0.03 0.00 0.51 0.00 0.00 43.02 41.87 1u1g s PHE 89 CO 0.06 -0.51 -0.18 -0.51 0.70 0.00 0.00 175.22 174.78 1u1g s LEU 90 N 0.93 2.30 -0.09 -0.37 1.43 -0.56 -1.56 118.68 120.76 1u1g s LEU 90 Ca -0.07 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1u1g s LEU 90 Cb -0.15 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 1u1g s LEU 90 CO -0.01 -0.03 0.25 -0.60 0.23 0.00 0.00 176.35 176.18 1u1g s ARG 91 N 1.27 3.75 -0.03 1.70 3.52 -0.67 -0.45 118.95 128.03 1u1g s ARG 91 Ca 0.03 0.07 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1u1g s ARG 91 Cb -0.14 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 1u1g s ARG 91 CO -0.12 0.65 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.35 1u1g s ILE 92 N -0.76 1.38 0.23 4.11 2.07 -1.25 -1.73 121.20 125.24 1u1g s ILE 92 Ca 0.18 -0.71 -0.07 0.00 -1.41 0.00 0.00 60.65 58.64 1u1g s ILE 92 Cb -0.14 -1.18 0.03 0.00 0.13 0.00 0.00 42.46 41.31 1u1g s ILE 92 CO 0.07 0.40 0.43 0.61 -1.91 0.00 0.00 174.94 174.53 1u1g n GLY 93 N 3.01 1.62 3.90 1.50 0.00 -1.07 -4.28 105.19 109.87 1u1g n GLY 93 Ca -0.17 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1u1g n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1g s THR 94 N -2.51 4.65 0.09 2.61 -4.23 -1.26 -2.27 115.64 112.72 1u1g s THR 94 Ca 0.11 -1.20 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 1u1g s THR 94 Cb -0.02 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.30 1u1g s THR 94 CO 0.08 -0.31 0.49 0.28 -0.54 0.00 0.00 174.62 174.62 1u1g s THR 95 N -2.09 0.04 -0.23 3.99 -1.32 -1.06 -4.87 115.64 110.09 1u1g s THR 95 Ca 0.35 -0.32 -0.07 0.00 -1.21 0.00 0.00 61.69 60.45 1u1g s THR 95 Cb -0.08 -1.04 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1u1g s THR 95 CO 0.27 -0.17 0.05 -0.83 -2.21 0.00 0.00 174.62 171.73 1u1g s GLY 96 N -2.36 1.76 0.32 6.08 0.00 -1.21 -2.25 107.32 109.66 1u1g s GLY 96 Ca -0.02 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 43.40 1u1g s GLY 96 CO -0.07 0.44 0.87 0.00 0.00 0.00 0.00 173.10 174.34 1u1g s ALA 97 N 1.40 3.23 -0.60 3.20 0.00 -0.08 -1.68 121.76 127.23 1u1g s ALA 97 Ca 0.05 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1u1g s ALA 97 Cb -0.15 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1u1g s ALA 97 CO 0.03 0.22 0.66 0.44 0.00 0.00 0.00 175.76 177.10 1u1g n ILE 98 N 0.21 0.01 -3.84 0.00 -5.35 0.13 -1.03 119.36 109.50 1u1g n ILE 98 Ca 0.02 -0.51 -0.36 0.00 -0.27 0.00 0.00 62.75 61.64 1u1g n ILE 98 Cb 0.52 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 1u1g n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1g s GLN 99 N -0.41 3.75 0.55 6.28 -1.52 -1.24 -4.81 119.66 122.26 1u1g s GLN 99 Ca 0.06 -0.18 0.29 0.00 -1.95 0.00 0.00 55.36 53.58 1u1g s GLN 99 Cb 0.04 -3.27 1.60 0.00 -0.22 0.00 0.00 33.01 31.16 1u1g s GLN 99 CO 0.06 0.56 2.13 -1.35 -0.25 0.00 0.00 175.29 176.45 1u1g h PRO 100 N 5.73 0.00 -0.00 2.91 0.11 -1.96 -2.82 132.00 135.97 1u1g h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u1g h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1g h PRO 100 CO 0.66 0.08 -0.22 -2.39 -0.21 0.00 0.00 178.00 175.91 1u1g n HIS 101 N -3.62 0.00 -3.25 0.65 1.44 -1.26 -4.79 115.22 104.39 1u1g n HIS 101 Ca -0.02 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.30 1u1g n HIS 101 Cb 0.19 -0.39 -0.06 0.00 0.12 0.00 0.00 29.99 29.86 1u1g n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1g s ILE 102 N -3.00 5.13 0.22 0.61 1.01 -1.07 -5.08 121.20 119.03 1u1g s ILE 102 Ca 0.13 1.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 1u1g s ILE 102 Cb 0.18 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1u1g s ILE 102 CO 0.60 0.25 0.42 0.20 0.00 0.00 0.00 174.94 176.41 1u1g s ASN 103 N 0.88 6.40 0.20 3.58 0.01 -1.26 -4.93 114.94 119.82 1u1g s ASN 103 Ca 0.27 0.46 -0.32 0.00 -0.71 0.00 0.00 52.86 52.56 1u1g s ASN 103 Cb -0.16 -2.03 -0.11 0.00 0.41 0.00 0.00 41.25 39.36 1u1g s ASN 103 CO 0.11 -0.07 1.63 -0.69 -1.51 0.00 0.00 177.10 176.57 1u1g s VAL 104 N -1.90 2.31 0.00 1.60 1.01 -1.26 -2.14 120.40 120.02 1u1g s VAL 104 Ca 0.39 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1u1g s VAL 104 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1u1g s VAL 104 CO 0.29 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1u1g n GLY 105 N 3.68 2.67 3.74 4.51 0.00 -0.12 -5.03 105.19 114.64 1u1g n GLY 105 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1u1g n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1g s ASP 106 N -1.38 4.23 -0.10 1.61 1.11 -0.91 -4.69 116.67 116.55 1u1g s ASP 106 Ca 0.00 2.04 0.00 0.00 0.18 0.00 0.00 52.55 54.77 1u1g s ASP 106 Cb 0.00 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 1u1g s ASP 106 CO 0.00 -2.22 -0.09 -0.69 1.18 0.00 0.00 175.17 173.35 1u1g s VAL 107 N -2.55 3.47 -0.08 -1.27 1.01 -0.28 -1.11 120.40 119.59 1u1g s VAL 107 Ca 0.66 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1u1g s VAL 107 Cb -0.21 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1u1g s VAL 107 CO 0.51 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 175.19 1u1g s LEU 108 N -0.26 2.25 -0.18 3.92 1.43 0.39 -1.54 118.68 124.69 1u1g s LEU 108 Ca 0.03 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1u1g s LEU 108 Cb -0.13 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1u1g s LEU 108 CO 0.03 0.23 -0.08 -0.69 0.23 0.00 0.00 176.35 176.07 1u1g s VAL 109 N -0.05 3.32 -0.25 -1.59 1.01 -0.42 -1.38 120.40 121.04 1u1g s VAL 109 Ca -0.06 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1u1g s VAL 109 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1u1g s VAL 109 CO 0.05 0.47 0.53 -0.89 0.00 0.00 0.00 175.10 175.26 1u1g s THR 110 N 0.87 5.06 0.03 3.92 2.01 -0.84 -2.22 115.64 124.47 1u1g s THR 110 Ca -0.02 0.92 -0.16 0.00 0.31 0.00 0.00 61.69 62.73 1u1g s THR 110 Cb -0.15 -3.84 -0.36 0.00 0.01 0.00 0.00 72.50 68.17 1u1g s THR 110 CO 0.01 0.09 1.00 0.71 -0.69 0.00 0.00 174.62 175.73 1u1g h THR 111 N 5.37 1.30 -2.69 -0.82 1.35 -1.57 -3.41 112.91 112.43 1u1g h THR 111 Ca -0.29 -2.68 0.08 0.00 -0.55 0.00 0.00 66.41 62.97 1u1g h THR 111 Cb 1.14 3.05 -0.10 0.00 -1.73 0.00 0.00 68.15 70.52 1u1g h THR 111 CO 0.72 0.80 0.34 0.00 -0.25 0.00 0.00 175.52 177.14 1u1g s ALA 112 N -2.60 -1.55 0.08 6.62 0.00 -1.26 -1.03 121.76 122.03 1u1g s ALA 112 Ca -0.09 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.21 1u1g s ALA 112 Cb 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1u1g s ALA 112 CO 0.94 -0.90 -0.21 -1.12 0.00 0.00 0.00 175.76 174.47 1u1g s SER 113 N -2.80 2.48 -0.03 0.00 0.01 -0.49 -2.08 113.70 110.80 1u1g s SER 113 Ca 0.08 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 1u1g s SER 113 Cb -0.03 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1u1g s SER 113 CO -0.03 0.09 1.12 -0.69 0.41 0.00 0.00 173.24 174.15 1u1g s VAL 114 N -1.02 4.43 -1.12 3.43 1.01 0.84 -4.40 120.40 123.56 1u1g s VAL 114 Ca 0.07 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.63 1u1g s VAL 114 Cb -0.09 -4.12 0.15 0.00 0.00 0.00 0.00 36.38 32.32 1u1g s VAL 114 CO 0.03 0.06 1.34 -0.13 0.00 0.00 0.00 175.10 176.40 1u1g s ARG 115 N 1.69 3.92 -0.52 2.72 0.52 -1.26 -1.99 118.95 124.02 1u1g s ARG 115 Ca 0.54 -2.28 0.02 0.00 -0.52 0.00 0.00 55.73 53.49 1u1g s ARG 115 Cb -0.24 -5.03 0.59 0.00 0.52 0.00 0.00 34.95 30.79 1u1g s ARG 115 CO 0.24 -1.79 1.94 1.28 0.02 0.00 0.00 175.30 177.00 1u1g n LEU 116 N 6.05 7.01 -4.69 2.53 4.77 -0.56 -4.96 117.00 127.15 1u1g n LEU 116 Ca 0.33 -3.86 -0.30 0.00 -0.03 0.00 0.00 56.01 52.15 1u1g n LEU 116 Cb 0.45 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1u1g n LEU 116 CO 0.59 1.21 -0.27 1.51 -1.33 0.00 0.00 177.39 179.10 1u1g s ASP 117 N -1.53 4.01 -0.21 -1.43 -4.77 -1.23 -1.92 116.67 109.60 1u1g s ASP 117 Ca 0.59 -1.48 0.07 0.00 -3.30 0.00 0.00 52.55 48.43 1u1g s ASP 117 Cb 0.49 0.00 -0.17 0.00 -1.09 0.00 0.00 42.92 42.15 1u1g s ASP 117 CO 0.07 -0.63 -0.11 0.61 0.70 0.00 0.00 175.17 175.81 1u1g n GLY 118 N -1.11 -0.51 0.28 2.12 0.00 -1.26 -4.68 105.19 100.03 1u1g n GLY 118 Ca -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1u1g n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g h ALA 119 N 0.31 1.44 -0.57 4.61 0.00 -1.98 -2.57 119.26 120.49 1u1g h ALA 119 Ca -0.49 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.34 1u1g h ALA 119 Cb 1.88 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1u1g h ALA 119 CO -0.04 0.41 0.38 0.66 0.00 0.00 0.00 179.25 180.66 1u1g h SER 120 N 0.54 0.39 0.70 0.00 4.64 -1.85 -1.28 113.55 116.69 1u1g h SER 120 Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1u1g h SER 120 Cb 0.23 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1u1g h SER 120 CO -0.00 0.25 0.00 -0.07 -0.87 0.00 0.00 176.83 176.14 1u1g h LEU 121 N 0.44 0.00 -0.11 5.97 3.38 -1.58 -2.26 115.31 121.16 1u1g h LEU 121 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1u1g h LEU 121 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1u1g h LEU 121 CO -0.07 0.00 -0.03 1.41 0.09 0.00 0.00 178.44 179.84 1u1g n HIS 122 N -2.62 0.00 0.00 1.13 8.25 -0.48 -3.96 115.22 117.54 1u1g n HIS 122 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1u1g n HIS 122 Cb 0.22 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1u1g n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1g n PHE 123 N -1.02 0.00 -3.68 4.41 3.01 -0.91 -5.09 117.46 114.18 1u1g n PHE 123 Ca 0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.49 1u1g n PHE 123 Cb 0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 1u1g n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1g s ALA 124 N -1.95 -1.18 0.83 4.37 0.00 -0.90 -5.02 121.76 117.91 1u1g s ALA 124 Ca 0.00 0.87 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1u1g s ALA 124 Cb 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 23.12 23.05 1u1g s ALA 124 CO 0.00 -0.29 1.12 -1.25 0.00 0.00 0.00 175.76 175.34 1u1g s PRO 125 N -0.91 1.78 0.50 0.00 0.04 -1.26 -3.94 135.00 131.21 1u1g s PRO 125 Ca -0.10 1.33 0.24 0.00 0.04 0.00 0.00 61.00 62.51 1u1g s PRO 125 Cb -0.03 -1.83 1.31 0.00 0.04 0.00 0.00 34.50 33.99 1u1g s PRO 125 CO 0.05 -2.03 1.94 1.25 0.04 0.00 0.00 177.00 178.26 1u1g h LEU 126 N -1.39 0.12 -2.13 -3.56 5.85 -1.94 -1.16 115.31 111.10 1u1g h LEU 126 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1u1g h LEU 126 Cb 1.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1g h LEU 126 CO 0.47 0.06 0.00 1.05 -0.34 0.00 0.00 178.44 179.68 1u1g h GLU 127 N 0.13 0.00 -6.59 1.25 9.09 -2.03 -3.43 114.58 112.99 1u1g h GLU 127 Ca 0.33 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.22 1u1g h GLU 127 Cb 1.14 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1u1g h GLU 127 CO -0.04 0.00 0.54 0.12 0.05 0.00 0.00 179.01 179.67 1u1g s PHE 128 N -3.88 3.48 0.11 2.06 2.19 -0.44 -5.01 117.98 116.49 1u1g s PHE 128 Ca -0.02 1.42 -0.30 0.00 0.33 0.00 0.00 56.93 58.37 1u1g s PHE 128 Cb 0.11 -3.38 -0.06 0.00 -1.31 0.00 0.00 43.02 38.37 1u1g s PHE 128 CO 0.48 -1.07 1.10 -1.25 1.83 0.00 0.00 175.22 176.31 1u1g s PRO 129 N 0.23 4.55 -1.41 10.12 0.04 -1.26 -4.95 135.00 142.32 1u1g s PRO 129 Ca 0.54 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 1u1g s PRO 129 Cb -0.31 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 30.96 1u1g s PRO 129 CO 0.33 -0.03 2.09 0.00 0.04 0.00 0.00 177.00 179.43 1u1g n ALA 130 N 3.11 5.12 -2.82 8.56 0.00 -1.26 -4.78 120.51 128.45 1u1g n ALA 130 Ca 0.05 -3.92 -0.36 0.00 0.00 0.00 0.00 53.44 49.21 1u1g n ALA 130 Cb 0.47 -3.49 -0.07 0.00 0.00 0.00 0.00 19.45 16.36 1u1g n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1g s VAL 131 N 3.10 5.12 0.56 0.00 0.11 -1.26 -1.39 120.40 126.64 1u1g s VAL 131 Ca 0.48 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.42 1u1g s VAL 131 Cb 0.11 -3.21 -0.06 0.00 -1.53 0.00 0.00 36.38 31.69 1u1g s VAL 131 CO -0.05 0.61 1.02 0.00 -3.33 0.00 0.00 175.10 173.35 1u1g s ALA 132 N -0.99 2.95 0.27 1.54 0.00 -0.20 -4.72 121.76 120.61 1u1g s ALA 132 Ca 0.15 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1u1g s ALA 132 Cb -0.12 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1u1g s ALA 132 CO 0.04 -0.52 1.32 0.34 0.00 0.00 0.00 175.76 176.94 1u1g s ASP 133 N -3.14 6.83 0.17 0.00 2.15 -0.01 -4.95 116.67 117.72 1u1g s ASP 133 Ca 0.60 2.56 -0.12 0.00 0.43 0.00 0.00 52.55 56.02 1u1g s ASP 133 Cb -0.12 -2.63 0.06 0.00 -0.30 0.00 0.00 42.92 39.93 1u1g s ASP 133 CO 0.37 -0.53 1.71 0.15 -0.17 0.00 0.00 175.17 176.69 1u1g h PHE 134 N 4.36 0.89 -0.48 -5.34 3.04 -1.96 -1.19 116.94 116.26 1u1g h PHE 134 Ca -0.47 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 61.31 1u1g h PHE 134 Cb 1.22 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1u1g h PHE 134 CO 0.59 0.74 -0.08 0.93 -2.02 0.00 0.00 178.31 178.47 1u1g h GLU 135 N 0.79 0.86 -0.32 1.11 5.08 -1.96 -1.26 114.58 118.88 1u1g h GLU 135 Ca 0.19 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1u1g h GLU 135 Cb 0.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1u1g h GLU 135 CO -0.01 0.91 -0.13 0.00 -1.00 0.00 0.00 179.01 178.78 1u1g h THR 137 N 0.42 1.21 -0.41 0.00 2.02 -1.15 -2.25 112.91 112.74 1u1g h THR 137 Ca 0.07 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1u1g h THR 137 Cb 0.65 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1u1g h THR 137 CO 0.04 0.24 0.21 0.74 0.37 0.00 0.00 175.52 177.12 1u1g h THR 138 N 0.55 0.98 -0.58 3.16 2.02 -1.22 -1.73 112.91 116.09 1u1g h THR 138 Ca 0.14 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1u1g h THR 138 Cb 0.21 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1u1g h THR 138 CO -0.01 0.08 0.34 0.00 0.37 0.00 0.00 175.52 176.30 1u1g h ALA 139 N 1.21 0.75 -0.37 6.16 0.00 -1.20 -1.51 119.26 124.30 1u1g h ALA 139 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1u1g h ALA 139 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1u1g h ALA 139 CO -0.12 0.05 -0.10 -0.07 0.00 0.00 0.00 179.25 179.02 1u1g h LEU 140 N 0.67 0.73 -0.62 0.00 3.38 -1.20 -0.88 115.31 117.39 1u1g h LEU 140 Ca 0.24 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1u1g h LEU 140 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1u1g h LEU 140 CO -0.12 0.93 0.29 0.58 0.09 0.00 0.00 178.44 180.21 1u1g h VAL 141 N 0.52 1.22 -0.00 1.22 2.07 -1.17 -1.23 116.25 118.88 1u1g h VAL 141 Ca 0.09 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.85 1u1g h VAL 141 Cb 0.61 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1u1g h VAL 141 CO 0.04 0.25 -0.66 -0.33 0.02 0.00 0.00 177.57 176.89 1u1g h GLU 142 N 0.85 0.00 -0.19 1.57 5.08 -1.24 -2.40 114.58 118.25 1u1g h GLU 142 Ca 0.21 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1u1g h GLU 142 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1u1g h GLU 142 CO -0.03 0.66 -0.50 0.00 -1.00 0.00 0.00 179.01 178.14 1u1g h ALA 143 N 1.34 0.77 -0.15 3.43 0.00 -0.91 -1.66 119.26 122.08 1u1g h ALA 143 Ca -0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1u1g h ALA 143 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1u1g h ALA 143 CO 0.09 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.55 1u1g h ALA 144 N 1.04 0.93 0.00 0.00 0.00 -1.13 -2.80 119.26 117.29 1u1g h ALA 144 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1u1g h ALA 144 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1u1g h ALA 144 CO 0.09 0.64 -0.55 -0.22 0.00 0.00 0.00 179.25 179.22 1u1g h LYS 145 N 0.31 0.00 -0.25 0.00 3.64 -1.33 -2.22 116.57 116.72 1u1g h LYS 145 Ca 0.02 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1u1g h LYS 145 Cb 0.93 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1u1g h LYS 145 CO 0.08 0.55 -0.01 1.03 -2.27 0.00 0.00 179.45 178.83 1u1g h SER 146 N 0.00 0.43 0.67 4.20 0.87 -1.04 -3.17 113.55 115.51 1u1g h SER 146 Ca -0.01 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1u1g h SER 146 Cb 0.97 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1u1g h SER 146 CO 0.07 0.64 -0.51 2.30 -0.53 0.00 0.00 176.83 178.81 1u1g n ILE 147 N -4.63 0.13 -1.74 2.23 -5.35 -1.12 -5.00 119.36 103.88 1u1g n ILE 147 Ca -0.04 -0.10 -0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1u1g n ILE 147 Cb 0.25 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1u1g n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1g n GLY 148 N 1.44 -0.32 3.52 3.28 0.00 -0.88 -5.10 105.19 107.14 1u1g n GLY 148 Ca 0.05 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1u1g n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g s ALA 149 N -3.01 2.86 -0.35 4.61 0.00 -0.95 -5.06 121.76 119.87 1u1g s ALA 149 Ca 0.01 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.90 1u1g s ALA 149 Cb -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1u1g s ALA 149 CO 0.11 0.30 1.13 0.99 0.00 0.00 0.00 175.76 178.29 1u1g s THR 150 N -2.36 4.37 -0.01 0.00 2.01 -1.26 -4.83 115.64 113.56 1u1g s THR 150 Ca 0.30 1.55 0.07 0.00 0.31 0.00 0.00 61.69 63.92 1u1g s THR 150 Cb -0.06 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 1u1g s THR 150 CO 0.16 -0.58 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.38 1u1g s THR 151 N 3.96 1.86 -0.03 -0.82 2.01 -1.26 -1.13 115.64 120.24 1u1g s THR 151 Ca 0.48 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1u1g s THR 151 Cb -0.12 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1u1g s THR 151 CO 0.20 0.50 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.41 1u1g s HIS 152 N -0.58 1.98 -0.14 4.92 3.76 -0.59 -4.99 115.29 119.65 1u1g s HIS 152 Ca 0.09 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1u1g s HIS 152 Cb -0.09 -1.28 0.01 0.00 1.11 0.00 0.00 32.58 32.33 1u1g s HIS 152 CO -0.01 -0.07 -0.20 0.08 -0.85 0.00 0.00 174.74 173.69 1u1g s VAL 153 N -0.40 1.92 -1.53 -0.90 1.01 -1.26 -1.29 120.40 117.94 1u1g s VAL 153 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1u1g s VAL 153 Cb -0.09 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1u1g s VAL 153 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1u1g n GLY 154 N 4.17 -0.66 3.84 4.51 0.00 -0.94 -4.98 105.19 111.12 1u1g n GLY 154 Ca -0.20 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1u1g n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1g s VAL 155 N -3.68 4.87 -0.00 1.61 1.01 -1.26 -1.36 120.40 121.59 1u1g s VAL 155 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1u1g s VAL 155 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1u1g s VAL 155 CO 0.00 0.33 -0.24 -0.89 0.00 0.00 0.00 175.10 174.30 1u1g s THR 156 N -1.36 1.88 -0.22 3.92 2.01 -0.88 -1.54 115.64 119.45 1u1g s THR 156 Ca 0.35 -1.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 1u1g s THR 156 Cb -0.16 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1u1g s THR 156 CO 0.19 0.46 0.50 0.00 -0.69 0.00 0.00 174.62 175.08 1u1g s ALA 157 N -0.62 3.56 -0.29 7.40 0.00 -0.30 -0.12 121.76 131.39 1u1g s ALA 157 Ca 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1u1g s ALA 157 Cb -0.09 -2.81 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1u1g s ALA 157 CO -0.00 -0.51 -0.02 0.45 0.00 0.00 0.00 175.76 175.68 1u1g s SER 158 N 1.26 4.81 -0.05 0.00 0.15 -0.84 -1.69 113.70 117.34 1u1g s SER 158 Ca 0.23 -1.26 0.02 0.00 0.70 0.00 0.00 55.95 55.64 1u1g s SER 158 Cb -0.15 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1u1g s SER 158 CO 0.09 -0.24 -0.10 -0.55 1.20 0.00 0.00 173.24 173.64 1u1g s SER 159 N 1.24 4.40 0.14 5.45 0.15 -0.06 -1.50 113.70 123.53 1u1g s SER 159 Ca -0.05 -0.11 0.20 0.00 0.70 0.00 0.00 55.95 56.69 1u1g s SER 159 Cb -0.20 -1.03 0.83 0.00 -1.71 0.00 0.00 66.02 63.92 1u1g s SER 159 CO -0.02 0.34 1.62 0.47 1.20 0.00 0.00 173.24 176.85 1u1g n ASP 160 N 2.14 0.37 -4.34 5.45 9.92 -0.81 -4.37 116.55 124.92 1u1g n ASP 160 Ca -0.17 0.59 -0.21 0.00 -0.53 0.00 0.00 54.79 54.47 1u1g n ASP 160 Cb 0.53 -0.67 -0.11 0.00 -0.64 0.00 0.00 41.12 40.23 1u1g n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1g s THR 161 N -3.17 1.79 0.02 -3.53 -4.23 -1.26 -5.02 115.64 100.25 1u1g s THR 161 Ca 0.06 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1u1g s THR 161 Cb 0.10 -1.91 -0.25 0.00 1.34 0.00 0.00 72.50 71.78 1u1g s THR 161 CO 0.35 -0.42 0.92 0.15 -0.54 0.00 0.00 174.62 175.09 1u1g h PHE 162 N 3.00 0.25 0.00 3.99 3.57 -1.97 -3.40 116.94 122.38 1u1g h PHE 162 Ca -0.41 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 60.91 1u1g h PHE 162 Cb 1.21 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1g h PHE 162 CO 0.70 1.21 0.00 0.66 -2.23 0.00 0.00 178.31 178.65 1u1g n TYR 163 N -3.34 0.00 -0.15 0.41 4.02 -1.26 -4.35 117.16 112.48 1u1g n TYR 163 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.73 1u1g n TYR 163 Cb 1.02 -0.00 0.15 0.00 -0.02 0.00 0.00 39.34 40.49 1u1g n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1g h PRO 164 N 0.00 0.89 0.00 -0.72 0.13 -1.88 -0.96 132.00 129.46 1u1g h PRO 164 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u1g h PRO 164 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1u1g h PRO 164 CO 0.00 0.81 0.00 0.78 -0.23 0.00 0.00 178.00 179.36 1u1g h GLY 165 N 1.00 0.00 -1.69 1.56 0.00 -1.86 -1.50 103.07 100.58 1u1g h GLY 165 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1u1g h GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1u1g n GLN 166 N -2.42 3.06 -3.89 4.80 6.02 -0.92 -4.94 117.38 119.10 1u1g n GLN 166 Ca 0.02 -2.59 -0.27 0.00 -0.01 0.00 0.00 57.00 54.15 1u1g n GLN 166 Cb 0.23 -1.67 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 1u1g n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1g n GLU 167 N 0.03 -2.89 -3.30 -1.09 2.13 -0.56 -4.96 120.64 110.00 1u1g n GLU 167 Ca 0.19 0.42 -0.38 0.00 0.66 0.00 0.00 57.16 58.04 1u1g n GLU 167 Cb 0.74 -4.43 -0.06 0.00 0.27 0.00 0.00 31.44 27.97 1u1g n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1g s ARG 168 N -6.43 4.30 -0.01 5.31 0.52 -0.41 -4.98 118.95 117.25 1u1g s ARG 168 Ca 0.11 0.51 0.15 0.00 -0.52 0.00 0.00 55.73 55.98 1u1g s ARG 168 Cb -0.04 -3.40 -0.18 0.00 0.52 0.00 0.00 34.95 31.84 1u1g s ARG 168 CO 0.88 0.23 0.54 0.66 0.02 0.00 0.00 175.30 177.64 1u1g n TYR 169 N 3.37 0.00 -2.28 -0.53 4.02 -1.26 -4.50 117.16 115.97 1u1g n TYR 169 Ca -0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.39 1u1g n TYR 169 Cb 0.52 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1u1g n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1g n ASP 170 N -1.56 4.62 -3.31 7.72 2.03 -1.26 -4.23 116.55 120.57 1u1g n ASP 170 Ca 0.01 -2.94 -0.20 0.00 0.52 0.00 0.00 54.79 52.18 1u1g n ASP 170 Cb 0.28 -1.64 -0.07 0.00 -0.72 0.00 0.00 41.12 38.97 1u1g n ASP 170 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1u1g n THR 171 N 5.05 0.00 -0.03 5.18 -2.24 -1.26 -5.02 114.28 115.96 1u1g n THR 171 Ca 0.46 -2.27 -0.09 0.00 -2.27 0.00 0.00 64.05 59.88 1u1g n THR 171 Cb 0.41 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1u1g n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1g h TYR 172 N 1.88 0.11 0.18 4.78 5.03 -1.99 -3.24 116.97 123.71 1u1g h TYR 172 Ca -0.25 0.01 -0.32 0.00 2.58 0.00 0.00 58.73 60.76 1u1g h TYR 172 Cb 1.13 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 39.40 1u1g h TYR 172 CO 0.00 0.06 -1.48 0.66 -1.32 0.00 0.00 178.16 176.08 1u1g h SER 173 N 0.15 0.58 -0.12 -2.11 4.64 -1.97 -3.48 113.55 111.24 1u1g h SER 173 Ca 0.08 -0.70 -0.05 0.00 -0.47 0.00 0.00 61.79 60.65 1u1g h SER 173 Cb 0.04 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1u1g h SER 173 CO -0.08 1.56 -0.05 0.61 -0.87 0.00 0.00 176.83 178.01 1u1g n GLY 174 N 1.68 0.55 3.41 -0.77 0.00 -1.23 -5.02 105.19 103.81 1u1g n GLY 174 Ca -0.16 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1u1g n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1g s ARG 175 N -1.37 1.48 -0.06 1.61 1.70 -1.26 -4.94 118.95 116.11 1u1g s ARG 175 Ca 0.00 -1.50 0.03 0.00 -0.47 0.00 0.00 55.73 53.79 1u1g s ARG 175 Cb 0.00 -1.78 0.01 0.00 -0.57 0.00 0.00 34.95 32.61 1u1g s ARG 175 CO 0.00 0.39 -0.13 0.08 -1.08 0.00 0.00 175.30 174.55 1u1g s VAL 176 N -1.68 1.19 0.51 4.99 1.01 -1.26 -4.95 120.40 120.22 1u1g s VAL 176 Ca 0.20 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1u1g s VAL 176 Cb -0.08 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1u1g s VAL 176 CO 0.09 0.36 1.11 0.55 0.00 0.00 0.00 175.10 177.22 1u1g n VAL 177 N 3.64 3.20 -0.30 2.92 3.14 -1.26 -4.65 118.33 125.02 1u1g n VAL 177 Ca -0.22 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 60.78 1u1g n VAL 177 Cb 0.52 -1.33 0.26 0.00 -1.06 0.00 0.00 33.84 32.23 1u1g n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1g h ARG 178 N 1.24 0.14 -0.81 1.45 2.43 -2.00 -0.99 114.38 115.84 1u1g h ARG 178 Ca -0.48 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1u1g h ARG 178 Cb 1.33 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 1u1g h ARG 178 CO 0.55 0.10 0.53 1.25 -1.51 0.00 0.00 179.97 180.89 1u1g h HIS 179 N 0.15 0.80 -0.03 2.20 2.76 -2.03 -2.48 115.15 116.53 1u1g h HIS 179 Ca 0.53 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1u1g h HIS 179 Cb 1.06 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1u1g h HIS 179 CO -0.34 0.37 -0.07 1.19 -1.30 0.00 0.00 177.93 177.78 1u1g n PHE 180 N -4.51 0.00 -2.04 5.26 3.01 -0.42 -4.80 117.46 113.96 1u1g n PHE 180 Ca 0.14 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.18 1u1g n PHE 180 Cb 0.34 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 1u1g n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1g s LYS 181 N -1.98 4.21 -0.07 -1.08 -0.14 -0.91 -2.39 119.74 117.38 1u1g s LYS 181 Ca 0.25 2.18 0.00 0.00 -1.36 0.00 0.00 55.97 57.04 1u1g s LYS 181 Cb 0.19 -3.74 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 1u1g s LYS 181 CO 0.33 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.59 1u1g n GLY 182 N 3.95 0.43 0.21 -3.33 0.00 -1.26 -4.94 105.19 100.26 1u1g n GLY 182 Ca 0.16 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1u1g n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1g h SER 183 N 0.00 0.69 -0.46 1.61 4.64 -1.78 -3.08 113.55 115.17 1u1g h SER 183 Ca -0.01 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1u1g h SER 183 Cb 0.25 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1u1g h SER 183 CO 0.02 1.15 0.30 -0.03 -0.87 0.00 0.00 176.83 177.40 1u1g h MET 184 N 0.45 0.61 -0.66 4.77 -1.53 -1.92 -1.26 114.93 115.39 1u1g h MET 184 Ca -0.01 -0.04 0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1u1g h MET 184 Cb 1.19 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 32.08 1u1g h MET 184 CO 0.12 0.41 0.43 1.49 0.14 0.00 0.00 176.91 179.51 1u1g h GLU 185 N 0.62 0.87 -0.10 0.39 4.81 -1.98 -0.70 114.58 118.51 1u1g h GLU 185 Ca 0.17 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1u1g h GLU 185 Cb -0.06 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1u1g h GLU 185 CO -0.04 0.58 0.00 1.49 -0.73 0.00 0.00 179.01 180.32 1u1g h GLU 186 N 0.90 0.17 -0.88 1.92 4.57 -1.33 -2.40 114.58 117.52 1u1g h GLU 186 Ca 0.24 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1u1g h GLU 186 Cb -0.10 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1u1g h GLU 186 CO -0.05 0.42 0.47 -1.49 -1.18 0.00 0.00 179.01 177.18 1u1g h TRP 187 N -0.11 1.22 -0.50 0.92 -0.00 -0.94 -2.44 115.95 114.11 1u1g h TRP 187 Ca 0.03 -0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.91 1u1g h TRP 187 Cb 0.35 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 29.08 1u1g h TRP 187 CO 0.03 0.85 0.29 1.96 -0.00 0.00 0.00 178.44 181.57 1u1g h GLN 188 N 1.24 0.56 -0.04 0.49 4.20 -1.09 -1.79 115.11 118.69 1u1g h GLN 188 Ca 0.31 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1u1g h GLN 188 Cb 0.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1u1g h GLN 188 CO -0.05 0.37 -0.22 0.00 -0.67 0.00 0.00 178.83 178.27 1u1g h ALA 189 N 1.23 1.56 -0.00 3.87 0.00 -1.20 -2.45 119.26 122.27 1u1g h ALA 189 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u1g h ALA 189 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u1g h ALA 189 CO -0.10 0.32 -0.01 -1.33 0.00 0.00 0.00 179.25 178.13 1u1g n MET 190 N -4.25 1.08 -0.71 0.00 2.81 -0.89 -4.92 117.12 110.24 1u1g n MET 190 Ca -0.02 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 1u1g n MET 190 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1u1g n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1g n GLY 191 N 1.08 0.64 3.74 3.03 0.00 -0.92 -5.03 105.19 107.72 1u1g n GLY 191 Ca 0.22 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1u1g n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1g s VAL 192 N -2.00 2.61 -0.03 1.61 1.01 -0.72 -4.67 120.40 118.21 1u1g s VAL 192 Ca 0.00 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1u1g s VAL 192 Cb 0.00 -3.31 -0.32 0.00 0.00 0.00 0.00 36.38 32.75 1u1g s VAL 192 CO 0.00 0.07 0.81 0.24 0.00 0.00 0.00 175.10 176.22 1u1g h MET 193 N 5.48 0.41 -3.09 2.72 0.00 -1.61 -3.42 114.93 115.42 1u1g h MET 193 Ca -0.45 -0.70 0.05 0.00 0.00 0.00 0.00 59.70 58.60 1u1g h MET 193 Cb 1.21 0.26 -0.05 0.00 0.00 0.00 0.00 31.60 33.02 1u1g h MET 193 CO 0.81 1.33 0.19 0.54 0.00 0.00 0.00 176.91 179.78 1u1g s ASN 194 N -7.30 -0.23 -0.11 1.22 4.22 -1.26 -0.70 114.94 110.78 1u1g s ASN 194 Ca -0.14 -0.67 0.01 0.00 -2.14 0.00 0.00 52.86 49.92 1u1g s ASN 194 Cb 0.04 0.71 -0.02 0.00 1.28 0.00 0.00 41.25 43.27 1u1g s ASN 194 CO 0.87 -1.33 -0.14 -0.31 -2.04 0.00 0.00 177.10 174.15 1u1g s TYR 195 N -3.89 2.78 0.00 1.54 4.12 -0.68 -1.15 117.35 120.08 1u1g s TYR 195 Ca 0.13 -0.55 0.00 0.00 0.02 0.00 0.00 57.07 56.66 1u1g s TYR 195 Cb -0.05 -1.80 0.00 0.00 -1.52 0.00 0.00 41.96 38.59 1u1g s TYR 195 CO 0.07 -0.13 0.00 -0.85 0.02 0.00 0.00 175.55 174.66 1u1g n GLU 196 N 3.27 0.00 0.00 -0.62 -0.00 -0.68 -3.34 120.64 119.27 1u1g n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1g n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1g n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1g n MET 197 N 0.00 0.04 0.00 3.44 2.81 -1.26 -0.88 117.12 121.26 1u1g n MET 197 Ca 0.00 -0.56 0.00 0.00 -1.81 0.00 0.00 57.70 55.33 1u1g n MET 197 Cb 0.00 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1u1g n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1g n GLU 198 N -0.09 3.77 -0.02 0.03 4.71 -1.26 -3.71 120.64 124.07 1u1g n GLU 198 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1u1g n GLU 198 Cb 0.15 -0.52 0.22 0.00 -1.01 0.00 0.00 31.44 30.27 1u1g n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1g h SER 199 N 0.00 0.55 -0.49 1.62 4.64 -1.94 -2.29 113.55 115.63 1u1g h SER 199 Ca 0.00 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1u1g h SER 199 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1u1g h SER 199 CO 0.00 0.71 0.33 0.00 -0.87 0.00 0.00 176.83 176.99 1u1g h ALA 200 N 1.35 0.63 0.29 5.18 0.00 -1.87 0.18 119.26 125.01 1u1g h ALA 200 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u1g h ALA 200 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1u1g h ALA 200 CO 0.03 0.07 -0.14 1.15 0.00 0.00 0.00 179.25 180.37 1u1g h THR 201 N 0.67 0.75 0.06 0.00 2.02 -1.88 -2.40 112.91 112.13 1u1g h THR 201 Ca 0.18 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1u1g h THR 201 Cb -0.08 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1u1g h THR 201 CO -0.04 0.08 -0.10 0.25 0.37 0.00 0.00 175.52 176.08 1u1g h LEU 202 N -0.58 -0.27 -0.51 2.58 5.85 -1.28 -1.33 115.31 119.76 1u1g h LEU 202 Ca -0.04 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1u1g h LEU 202 Cb 0.42 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1u1g h LEU 202 CO 0.06 -0.15 0.01 -0.07 -0.34 0.00 0.00 178.44 177.95 1u1g h LEU 203 N -0.20 0.88 0.06 2.25 3.38 -1.05 -2.27 115.31 118.36 1u1g h LEU 203 Ca 0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1u1g h LEU 203 Cb 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1u1g h LEU 203 CO -0.06 0.97 -0.03 0.74 0.09 0.00 0.00 178.44 180.16 1u1g h THR 204 N 0.77 1.08 -0.01 0.22 2.02 -1.35 -1.38 112.91 114.26 1u1g h THR 204 Ca 0.15 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1u1g h THR 204 Cb 0.52 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1u1g h THR 204 CO 0.03 0.11 -0.23 0.00 0.37 0.00 0.00 175.52 175.80 1u1g h MET 205 N -0.27 0.02 0.11 6.66 -0.00 -1.22 -2.09 114.93 118.12 1u1g h MET 205 Ca -0.01 -0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.55 1u1g h MET 205 Cb 0.24 -0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.86 1u1g h MET 205 CO 0.01 0.25 -0.63 0.00 -0.00 0.00 0.00 176.91 176.54 1u1g h ALA 207 N 0.06 1.50 -0.19 0.00 0.00 -1.14 -0.69 119.26 118.80 1u1g h ALA 207 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u1g h ALA 207 Cb 1.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1u1g h ALA 207 CO 0.11 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1u1g n SER 208 N -4.05 2.36 -0.00 0.00 3.41 -0.80 -4.20 113.62 110.33 1u1g n SER 208 Ca -0.02 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1u1g n SER 208 Cb 0.27 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1u1g n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1g n GLN 209 N 0.79 1.31 -1.58 4.33 6.02 -0.97 -5.02 117.38 122.26 1u1g n GLN 209 Ca 0.17 -0.95 -0.03 0.00 -0.01 0.00 0.00 57.00 56.19 1u1g n GLN 209 Cb 0.45 -0.72 -0.01 0.00 1.02 0.00 0.00 30.24 30.99 1u1g n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1g n GLY 210 N -0.22 0.41 3.63 1.08 0.00 -0.99 -5.04 105.19 104.06 1u1g n GLY 210 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1u1g n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1g s LEU 211 N -0.65 3.29 -0.03 0.99 1.43 -0.30 -5.06 118.68 118.35 1u1g s LEU 211 Ca 0.00 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1u1g s LEU 211 Cb 0.00 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1u1g s LEU 211 CO 0.00 0.26 0.61 -0.13 0.23 0.00 0.00 176.35 177.32 1u1g s ARG 212 N -1.65 4.36 0.01 1.70 0.52 -0.53 -3.97 118.95 119.38 1u1g s ARG 212 Ca 0.19 0.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1u1g s ARG 212 Cb -0.11 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 1u1g s ARG 212 CO 0.10 0.27 -0.01 0.00 0.02 0.00 0.00 175.30 175.68 1u1g s ALA 213 N 0.15 0.06 0.09 2.13 0.00 -1.26 -0.49 121.76 122.44 1u1g s ALA 213 Ca 0.32 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1u1g s ALA 213 Cb -0.18 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1u1g s ALA 213 CO 0.17 -0.05 -0.07 0.20 0.00 0.00 0.00 175.76 176.01 1u1g s GLY 214 N -0.52 0.74 -0.04 0.00 0.00 -0.60 -0.83 107.32 106.08 1u1g s GLY 214 Ca -0.05 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1u1g s GLY 214 CO -0.00 -1.41 0.07 -0.29 0.00 0.00 0.00 173.10 171.47 1u1g s MET 215 N -3.66 -0.04 0.04 2.90 1.75 -1.26 -1.68 119.30 117.35 1u1g s MET 215 Ca 0.10 0.35 0.04 0.00 -1.25 0.00 0.00 55.69 54.93 1u1g s MET 215 Cb 0.04 -0.37 -0.02 0.00 2.84 0.00 0.00 34.83 37.32 1u1g s MET 215 CO -0.04 -0.26 -0.12 0.54 -0.65 0.00 0.00 175.02 174.48 1u1g s VAL 216 N 1.77 0.93 -0.04 10.11 0.11 -0.71 -1.99 120.40 130.58 1u1g s VAL 216 Ca -0.01 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.85 1u1g s VAL 216 Cb -0.12 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1u1g s VAL 216 CO -0.04 -0.12 0.38 0.00 -3.33 0.00 0.00 175.10 171.99 1u1g s ALA 217 N -1.00 -0.96 -0.15 1.54 0.00 -0.48 -2.59 121.76 118.12 1u1g s ALA 217 Ca -0.02 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 1u1g s ALA 217 Cb -0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1u1g s ALA 217 CO 0.01 -0.27 0.06 0.20 0.00 0.00 0.00 175.76 175.76 1u1g s GLY 218 N -1.08 1.93 -0.20 0.00 0.00 -0.96 -0.46 107.32 106.54 1u1g s GLY 218 Ca -0.11 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 1u1g s GLY 218 CO 0.05 -0.18 1.07 0.14 0.00 0.00 0.00 173.10 174.17 1u1g s VAL 219 N -0.18 4.64 -0.25 1.40 1.01 -0.27 -2.55 120.40 124.21 1u1g s VAL 219 Ca 0.07 1.97 0.12 0.00 0.00 0.00 0.00 61.98 64.14 1u1g s VAL 219 Cb -0.12 -4.27 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 1u1g s VAL 219 CO 0.01 -0.15 0.38 2.30 0.00 0.00 0.00 175.10 177.64 1u1g n ILE 220 N 5.21 0.00 -3.72 2.22 -5.35 -0.95 -0.95 119.36 115.83 1u1g n ILE 220 Ca 0.12 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.20 1u1g n ILE 220 Cb 0.46 0.54 -0.09 0.00 -1.74 0.00 0.00 39.64 38.81 1u1g n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1g s VAL 221 N -2.57 0.03 -0.22 7.28 0.11 -1.24 -4.27 120.40 119.51 1u1g s VAL 221 Ca -0.01 -0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1u1g s VAL 221 Cb 0.09 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1u1g s VAL 221 CO 0.51 -0.13 -0.02 0.21 -3.33 0.00 0.00 175.10 172.34 1u1g s ASN 222 N -0.74 4.47 0.56 3.54 3.84 -1.26 -0.90 114.94 124.45 1u1g s ASN 222 Ca -0.08 -0.35 0.33 0.00 0.21 0.00 0.00 52.86 52.97 1u1g s ASN 222 Cb -0.04 -1.77 1.61 0.00 -0.55 0.00 0.00 41.25 40.50 1u1g s ASN 222 CO 0.04 -0.02 2.10 0.03 -2.79 0.00 0.00 177.10 176.46 1u1g h ARG 223 N 8.10 0.00 -0.00 0.43 2.47 -1.24 -1.39 114.38 122.75 1u1g h ARG 223 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1u1g h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1u1g h ARG 223 CO 0.60 0.07 -0.28 0.25 0.56 0.00 0.00 179.97 181.17 1u1g n THR 224 N -3.36 0.00 -0.05 2.04 -2.24 -1.26 -4.45 114.28 104.97 1u1g n THR 224 Ca -0.01 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1u1g n THR 224 Cb 0.23 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1u1g n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1g n GLN 225 N -1.44 0.28 -3.82 -0.78 6.02 -0.72 -5.09 117.38 111.83 1u1g n GLN 225 Ca 0.07 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.08 1u1g n GLN 225 Cb 0.33 -0.98 -0.05 0.00 1.02 0.00 0.00 30.24 30.56 1u1g n GLN 225 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1u1g s GLN 226 N -2.36 1.25 -0.01 -1.09 -0.21 -0.60 -5.08 119.66 111.57 1u1g s GLN 226 Ca -0.17 -0.97 0.14 0.00 0.02 0.00 0.00 55.36 54.37 1u1g s GLN 226 Cb 0.05 0.46 -0.17 0.00 1.00 0.00 0.00 33.01 34.34 1u1g s GLN 226 CO 0.23 -0.50 0.48 0.39 -2.12 0.00 0.00 175.29 173.78 1u1g n GLU 227 N -0.27 1.81 -4.32 2.91 -0.58 -1.26 -4.16 120.64 114.77 1u1g n GLU 227 Ca -0.10 -0.04 -0.34 0.00 -0.42 0.00 0.00 57.16 56.26 1u1g n GLU 227 Cb 0.63 -1.21 -0.14 0.00 -0.57 0.00 0.00 31.44 30.16 1u1g n GLU 227 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1u1g s ILE 228 N -2.51 3.38 0.35 -3.67 -4.36 -1.26 -5.08 121.20 108.05 1u1g s ILE 228 Ca 0.02 -0.52 -0.27 0.00 -0.26 0.00 0.00 60.65 59.62 1u1g s ILE 228 Cb 0.10 -2.48 -0.09 0.00 1.25 0.00 0.00 42.46 41.23 1u1g s ILE 228 CO 0.57 0.47 1.13 -2.84 0.24 0.00 0.00 174.94 174.51 1u1g s PRO 229 N 0.83 4.31 -0.26 0.37 0.02 -1.26 -5.00 135.00 134.00 1u1g s PRO 229 Ca -0.02 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 62.50 1u1g s PRO 229 Cb -0.15 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.52 1u1g s PRO 229 CO 0.01 -0.08 1.07 -0.80 -0.33 0.00 0.00 177.00 176.87 1u1g s ASN 230 N -1.07 7.02 -0.49 2.53 0.01 -1.26 -4.94 114.94 116.73 1u1g s ASN 230 Ca 0.52 1.26 -0.06 0.00 -0.71 0.00 0.00 52.86 53.87 1u1g s ASN 230 Cb -0.30 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.73 1u1g s ASN 230 CO 0.38 -0.76 3.10 0.00 -1.51 0.00 0.00 177.10 178.31 1u1g n ALA 231 N 6.57 6.59 0.02 0.60 0.00 -1.26 -3.07 120.51 129.96 1u1g n ALA 231 Ca 0.12 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.85 1u1g n ALA 231 Cb 0.46 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1u1g n ALA 231 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1u1g n GLU 232 N 1.92 0.00 0.20 0.00 0.28 -1.26 -4.87 120.64 116.92 1u1g n GLU 232 Ca 0.51 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.64 1u1g n GLU 232 Cb 0.63 0.00 0.33 0.00 1.43 0.00 0.00 31.44 33.83 1u1g n GLU 232 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1u1g h THR 233 N 0.00 0.00 -1.00 3.84 1.35 -2.01 -3.24 112.91 111.85 1u1g h THR 233 Ca 0.00 -0.77 0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1u1g h THR 233 Cb 0.00 1.75 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 1u1g h THR 233 CO 0.00 0.00 0.66 -0.03 -0.25 0.00 0.00 175.52 175.90 1u1g h MET 234 N 0.00 1.29 -0.53 4.72 -1.53 -1.87 0.10 114.93 117.10 1u1g h MET 234 Ca 0.00 -0.08 -0.10 0.00 -3.44 0.00 0.00 59.70 56.08 1u1g h MET 234 Cb 0.83 -0.29 -0.02 0.00 -0.55 0.00 0.00 31.60 31.57 1u1g h MET 234 CO 0.00 0.85 -0.08 -0.22 0.14 0.00 0.00 176.91 177.60 1u1g h LYS 235 N 1.33 0.97 -0.14 0.39 3.64 -1.87 -1.58 116.57 119.31 1u1g h LYS 235 Ca 0.38 -0.33 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 1u1g h LYS 235 Cb -0.10 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1u1g h LYS 235 CO -0.09 1.00 -0.63 1.96 -2.27 0.00 0.00 179.45 179.42 1u1g h GLN 236 N 0.88 0.50 -0.45 1.90 4.20 -1.61 -2.24 115.11 118.29 1u1g h GLN 236 Ca 0.14 -0.35 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 1u1g h GLN 236 Cb 0.62 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1u1g h GLN 236 CO 0.04 0.97 -0.02 1.15 -0.67 0.00 0.00 178.83 180.30 1u1g h THR 237 N 0.37 1.26 -0.01 -0.54 2.02 -0.68 -1.23 112.91 114.10 1u1g h THR 237 Ca -0.01 -1.09 -0.11 0.00 0.77 0.00 0.00 66.41 65.97 1u1g h THR 237 Cb 1.18 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1u1g h THR 237 CO 0.11 0.37 -0.53 -0.33 0.37 0.00 0.00 175.52 175.52 1u1g h GLU 238 N 0.66 0.03 -0.28 6.66 5.08 -1.31 -1.83 114.58 123.58 1u1g h GLU 238 Ca 0.13 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1u1g h GLU 238 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1u1g h GLU 238 CO 0.03 0.55 -0.38 0.77 -1.00 0.00 0.00 179.01 178.98 1u1g h SER 239 N 0.02 0.68 -0.26 1.42 0.02 -1.24 -2.12 113.55 112.08 1u1g h SER 239 Ca -0.00 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1u1g h SER 239 Cb 0.95 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1u1g h SER 239 CO 0.07 0.99 0.03 -0.74 -1.14 0.00 0.00 176.83 176.04 1u1g h HIS 240 N 0.54 0.47 -0.26 3.45 2.76 -0.96 -3.00 115.15 118.14 1u1g h HIS 240 Ca 0.05 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 1u1g h HIS 240 Cb 0.89 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1u1g h HIS 240 CO 0.04 0.57 -0.34 0.00 -1.30 0.00 0.00 177.93 176.90 1u1g h ALA 241 N 0.84 0.93 -0.43 5.26 0.00 -1.32 -2.99 119.26 121.55 1u1g h ALA 241 Ca 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1u1g h ALA 241 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1u1g h ALA 241 CO 0.01 0.62 0.16 0.28 0.00 0.00 0.00 179.25 180.32 1u1g h VAL 242 N 0.47 1.21 -0.92 0.00 2.07 -1.42 -2.36 116.25 115.31 1u1g h VAL 242 Ca 0.05 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1u1g h VAL 242 Cb 0.81 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1u1g h VAL 242 CO 0.07 0.24 0.61 0.11 0.02 0.00 0.00 177.57 178.61 1u1g h LYS 243 N 0.56 1.18 -0.29 1.57 6.56 -1.45 -2.30 116.57 122.39 1u1g h LYS 243 Ca 0.14 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 59.60 1u1g h LYS 243 Cb 0.22 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1u1g h LYS 243 CO -0.01 0.78 -0.06 0.82 -2.06 0.00 0.00 179.45 178.92 1u1g h ILE 244 N 1.22 1.28 -0.31 1.86 2.04 -1.37 -2.17 117.51 120.05 1u1g h ILE 244 Ca 0.34 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.05 1u1g h ILE 244 Cb -0.10 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1u1g h ILE 244 CO -0.08 0.34 -0.14 1.62 0.00 0.00 0.00 178.15 179.89 1u1g h VAL 245 N 0.32 1.24 -0.15 1.67 3.04 -1.22 -0.61 116.25 120.54 1u1g h VAL 245 Ca 0.07 -1.09 -0.22 0.00 -1.01 0.00 0.00 66.70 64.46 1u1g h VAL 245 Cb 0.54 1.16 0.01 0.00 -2.01 0.00 0.00 31.29 30.99 1u1g h VAL 245 CO 0.03 0.36 -0.77 0.58 -1.01 0.00 0.00 177.57 176.76 1u1g h VAL 246 N 0.50 1.29 -0.25 1.51 2.07 -1.41 -1.97 116.25 117.99 1u1g h VAL 246 Ca 0.09 -1.99 -0.12 0.00 0.82 0.00 0.00 66.70 65.50 1u1g h VAL 246 Cb 0.54 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1u1g h VAL 246 CO 0.03 0.63 -0.35 -0.08 0.02 0.00 0.00 177.57 177.82 1u1g h GLU 247 N 0.51 0.54 -0.40 1.57 4.57 -1.26 -2.39 114.58 117.73 1u1g h GLU 247 Ca -0.05 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 1u1g h GLU 247 Cb 1.39 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 1u1g h GLU 247 CO 0.16 0.81 -0.16 0.00 -1.18 0.00 0.00 179.01 178.64 1u1g h ALA 248 N 1.17 0.97 -0.38 2.92 0.00 -1.08 -2.77 119.26 120.08 1u1g h ALA 248 Ca 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1u1g h ALA 248 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1u1g h ALA 248 CO 0.07 0.61 0.07 0.00 0.00 0.00 0.00 179.25 180.00 1u1g h ALA 249 N 1.15 1.41 -0.71 0.00 0.00 -1.15 -2.56 119.26 117.41 1u1g h ALA 249 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u1g h ALA 249 Cb 0.64 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1u1g h ALA 249 CO 0.05 0.42 0.44 0.00 0.00 0.00 0.00 179.25 180.16 1u1g h ARG 250 N 0.56 0.95 0.00 0.00 3.08 -1.15 -2.75 114.38 115.07 1u1g h ARG 250 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1u1g h ARG 250 Cb 0.25 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1u1g h ARG 250 CO -0.00 0.66 0.00 0.00 -1.07 0.00 0.00 179.97 179.56 1u1g h ARG 251 N 0.98 0.00 -0.26 0.04 3.08 -1.37 -3.28 114.38 113.58 1u1g h ARG 251 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1u1g h ARG 251 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1u1g h ARG 251 CO -0.05 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.13 1u1g n LEU 252 N -2.87 3.27 0.00 3.04 4.77 -1.05 -5.09 117.00 119.08 1u1g n LEU 252 Ca 0.04 -1.32 0.15 0.00 -0.03 0.00 0.00 56.01 54.85 1u1g n LEU 252 Cb 0.49 -0.16 0.87 0.00 -2.33 0.00 0.00 43.42 42.30 1u1g n LEU 252 CO 0.33 0.65 1.04 0.18 -1.33 0.00 0.00 177.39 178.26