#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 -4.50 4.04 8.00 -0.74 -4.92 116.55 118.98 1u1g n ASP 5 Ca 0.00 -0.33 -0.25 0.00 0.71 0.00 0.00 54.79 54.93 1u1g n ASP 5 Cb 0.00 0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.92 2.22 0.12 2.53 -7.23 -1.24 -5.07 120.40 108.81 1u1g s VAL 6 Ca 0.13 -2.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1u1g s VAL 6 Cb 0.18 -2.51 -0.21 0.00 0.56 0.00 0.00 36.38 34.40 1u1g s VAL 6 CO 0.66 -0.28 1.27 -0.26 -0.31 0.00 0.00 175.10 176.18 1u1g h PHE 7 N 2.14 0.23 0.00 2.82 0.04 -1.95 -3.41 116.94 116.82 1u1g h PHE 7 Ca -0.41 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1u1g h PHE 7 Cb 1.25 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1u1g h PHE 7 CO 0.77 1.07 -0.98 0.72 -0.60 0.00 0.00 178.31 179.29 1u1g n HIS 8 N -3.50 0.00 0.18 -0.55 8.25 -1.26 -4.81 115.22 113.53 1u1g n HIS 8 Ca -0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 1u1g n HIS 8 Cb 0.92 0.00 0.34 0.00 1.12 0.00 0.00 29.99 32.38 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 -1.49 2.41 3.38 -1.93 -3.45 115.31 114.23 1u1g h LEU 9 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1u1g h LEU 9 Cb 0.98 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.80 1u1g h LEU 9 CO 0.00 0.41 -0.29 0.61 0.09 0.00 0.00 178.44 179.26 1u1g n GLY 10 N -0.16 0.23 3.19 0.83 0.00 -1.26 -4.71 105.19 103.30 1u1g n GLY 10 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.61 2.33 0.35 0.99 1.43 -1.26 -4.81 118.68 114.09 1u1g s LEU 11 Ca 0.09 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1u1g s LEU 11 Cb -0.04 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1u1g s LEU 11 CO 0.29 -0.12 0.34 0.42 0.23 0.00 0.00 176.35 177.50 1u1g s THR 12 N -1.66 3.47 0.46 5.49 -4.23 -1.26 -1.79 115.64 116.12 1u1g s THR 12 Ca 0.02 -1.30 0.16 0.00 -1.18 0.00 0.00 61.69 59.39 1u1g s THR 12 Cb -0.08 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.79 1u1g s THR 12 CO 0.02 -0.14 2.04 0.50 -0.54 0.00 0.00 174.62 176.50 1u1g h LYS 13 N 1.15 0.00 0.00 3.99 3.64 -1.97 -2.78 116.57 120.60 1u1g h LYS 13 Ca -0.44 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 1u1g h LYS 13 Cb 1.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1u1g h LYS 13 CO 0.57 0.14 -0.35 -0.91 -2.27 0.00 0.00 179.45 176.63 1u1g h ASN 14 N 0.00 0.00 0.26 4.20 2.35 -1.95 -3.05 115.58 117.39 1u1g h ASN 14 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1u1g h ASN 14 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1u1g h ASN 14 CO 0.02 0.35 -0.23 0.44 -1.65 0.00 0.00 177.43 176.36 1u1g h ASP 15 N 0.00 0.00 0.59 5.81 3.32 -1.90 -2.84 116.42 121.40 1u1g h ASP 15 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1u1g h ASP 15 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1u1g h ASP 15 CO 0.05 0.23 -0.81 -0.07 -1.72 0.00 0.00 179.24 176.91 1u1g h LEU 16 N 0.00 0.20 -0.91 1.55 3.38 -1.67 -3.48 115.31 114.37 1u1g h LEU 16 Ca -0.00 -0.15 -0.41 0.00 0.09 0.00 0.00 57.88 57.41 1u1g h LEU 16 Cb 0.42 -0.06 0.12 0.00 0.09 0.00 0.00 40.66 41.23 1u1g h LEU 16 CO 0.03 0.92 -0.70 0.00 0.09 0.00 0.00 178.44 178.79 1u1g n GLN 17 N -3.69 -7.62 -0.48 1.13 6.02 -1.07 -2.84 117.38 108.83 1u1g n GLN 17 Ca -0.03 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1u1g n GLN 17 Cb 0.76 -5.84 0.00 0.00 1.02 0.00 0.00 30.24 26.19 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 -1.93 0.75 3.77 1.08 0.00 -1.26 -4.83 105.19 102.77 1u1g n GLY 18 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.22 3.52 0.00 4.61 0.00 -1.13 -4.94 121.76 121.60 1u1g s ALA 19 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1u1g s ALA 19 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1u1g s ALA 19 CO 0.00 -0.75 0.13 0.25 0.00 0.00 0.00 175.76 175.39 1u1g n THR 20 N 0.76 0.00 -5.13 0.00 -2.24 -1.26 -4.33 114.28 102.08 1u1g n THR 20 Ca 0.00 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 1u1g n THR 20 Cb 0.41 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 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 2.06 -0.02 3.22 0.20 -1.26 -0.66 118.68 121.14 1u1g s LEU 21 Ca 0.00 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1u1g s LEU 21 Cb 0.00 -1.21 0.02 0.00 -0.43 0.00 0.00 46.19 44.57 1u1g s LEU 21 CO 0.00 0.28 0.01 0.00 -0.29 0.00 0.00 176.35 176.35 1u1g s ALA 22 N -0.59 0.22 -0.13 5.97 0.00 -0.35 -2.53 121.76 124.36 1u1g s ALA 22 Ca 0.09 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 1u1g s ALA 22 Cb -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1u1g s ALA 22 CO -0.01 -0.06 0.64 0.42 0.00 0.00 0.00 175.76 176.75 1u1g s ILE 23 N 0.88 5.06 -0.50 0.00 1.01 0.00 -1.78 121.20 125.87 1u1g s ILE 23 Ca -0.08 1.26 0.04 0.00 0.00 0.00 0.00 60.65 61.86 1u1g s ILE 23 Cb -0.12 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.52 1u1g s ILE 23 CO -0.02 0.20 0.25 0.68 0.00 0.00 0.00 174.94 176.05 1u1g s VAL 24 N 1.27 2.50 0.89 2.92 -7.23 0.11 -1.92 120.40 118.94 1u1g s VAL 24 Ca 0.32 -3.23 -0.13 0.00 -1.81 0.00 0.00 61.98 57.13 1u1g s VAL 24 Cb -0.16 -2.75 0.16 0.00 0.56 0.00 0.00 36.38 34.19 1u1g s VAL 24 CO 0.13 -0.79 1.24 -2.16 -0.31 0.00 0.00 175.10 173.21 1u1g s PRO 25 N -0.19 1.10 -0.23 4.82 0.04 -1.24 -3.41 135.00 135.89 1u1g s PRO 25 Ca 0.17 -0.38 -0.15 0.00 0.04 0.00 0.00 61.00 60.67 1u1g s PRO 25 Cb -0.26 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 1u1g s PRO 25 CO -0.00 -2.08 0.01 0.41 0.04 0.00 0.00 177.00 175.37 1u1g n GLY 26 N -3.53 -0.64 3.68 0.56 0.00 -1.26 -1.27 105.19 102.73 1u1g n GLY 26 Ca 0.13 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1u1g n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u1g s ASP 27 N -7.07 7.01 0.52 1.61 -1.08 -1.26 -1.91 116.67 114.49 1u1g s ASP 27 Ca -0.32 1.79 0.25 0.00 -0.52 0.00 0.00 52.55 53.75 1u1g s ASP 27 Cb 0.09 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.43 1u1g s ASP 27 CO 0.58 -0.64 2.09 -0.65 0.52 0.00 0.00 175.17 177.06 1u1g h PRO 28 N 7.70 0.00 0.00 4.34 0.11 -1.91 -2.64 132.00 139.60 1u1g h PRO 28 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1u1g h PRO 28 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u1g h PRO 28 CO 0.91 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.56 1u1g n ASP 29 N -3.80 0.20 0.00 -2.05 9.92 -1.26 -3.29 116.55 116.27 1u1g n ASP 29 Ca -0.02 0.52 0.11 0.00 -0.53 0.00 0.00 54.79 54.87 1u1g n ASP 29 Cb 0.21 -0.57 0.08 0.00 -0.64 0.00 0.00 41.12 40.20 1u1g n ASP 29 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1u1g n ARG 30 N -1.69 0.03 -0.22 -1.24 1.74 -0.99 -4.37 116.66 109.92 1u1g n ARG 30 Ca 0.06 -0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 1u1g n ARG 30 Cb 0.35 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.23 -0.42 1.55 2.07 -1.62 -2.79 116.25 116.27 1u1g h VAL 31 Ca 0.00 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1u1g h VAL 31 Cb 0.52 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1u1g h VAL 31 CO 0.00 0.27 0.07 -0.08 0.02 0.00 0.00 177.57 177.85 1u1g h GLU 32 N 0.85 0.64 -0.26 1.57 4.81 -1.80 -2.06 114.58 118.32 1u1g h GLU 32 Ca 0.21 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1u1g h GLU 32 Cb 0.18 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1u1g h GLU 32 CO -0.02 0.61 -0.52 0.87 -0.73 0.00 0.00 179.01 179.22 1u1g h LYS 33 N 0.62 0.75 -0.23 1.92 1.57 -1.76 -2.37 116.57 117.08 1u1g h LYS 33 Ca 0.14 -0.46 -0.19 0.00 -1.87 0.00 0.00 60.65 58.27 1u1g h LYS 33 Cb 0.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1u1g h LYS 33 CO 0.00 1.09 -0.59 0.82 -0.57 0.00 0.00 179.45 180.20 1u1g h ILE 34 N 0.59 1.29 0.00 1.86 2.04 -1.37 -3.20 117.51 118.71 1u1g h ILE 34 Ca 0.02 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 1u1g h ILE 34 Cb 1.10 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1u1g h ILE 34 CO 0.11 0.57 -0.23 0.00 0.00 0.00 0.00 178.15 178.60 1u1g h ALA 35 N 0.62 1.16 0.00 1.87 0.00 -1.39 -2.88 119.26 118.63 1u1g h ALA 35 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1u1g h ALA 35 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1u1g h ALA 35 CO 0.13 0.29 -0.20 0.00 0.00 0.00 0.00 179.25 179.47 1u1g h ALA 36 N 1.77 1.01 0.00 0.00 0.00 -1.42 -2.95 119.26 117.67 1u1g h ALA 36 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1u1g h ALA 36 Cb 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1u1g h ALA 36 CO 0.03 0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 179.34 1u1g h LEU 37 N 0.00 0.00-10.34 0.00 -0.00 -1.58 -3.45 115.31 99.94 1u1g h LEU 37 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.88 57.44 1u1g h LEU 37 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1u1g h LEU 37 CO 0.03 0.11 -0.31 -0.04 -0.00 0.00 0.00 178.44 178.22 1u1g s MET 38 N -3.56 2.86 0.34 1.13 -1.94 -1.12 -5.10 119.30 111.92 1u1g s MET 38 Ca 0.02 -1.22 -0.26 0.00 -1.71 0.00 0.00 55.69 52.52 1u1g s MET 38 Cb 0.09 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 34.13 1u1g s MET 38 CO 0.61 -0.14 1.02 -0.51 -0.01 0.00 0.00 175.02 175.99 1u1g s ASP 39 N -4.24 7.09 -0.62 3.03 1.01 -0.63 -4.45 116.67 117.86 1u1g s ASP 39 Ca 0.50 2.01 -0.15 0.00 0.71 0.00 0.00 52.55 55.63 1u1g s ASP 39 Cb -0.09 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.27 1u1g s ASP 39 CO 0.31 -0.25 0.64 0.29 0.21 0.00 0.00 175.17 176.37 1u1g n LYS 40 N 0.46 -1.79 -3.14 8.23 5.02 -1.26 -0.06 118.16 125.61 1u1g n LYS 40 Ca 0.02 1.40 -0.38 0.00 -2.02 0.00 0.00 58.31 57.33 1u1g n LYS 40 Cb 0.49 -3.67 -0.06 0.00 -0.02 0.00 0.00 35.03 31.77 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 -3.32 4.34 -0.09 1.97 0.04 -1.26 -4.12 135.00 132.55 1u1g s PRO 41 Ca 0.16 0.91 -0.09 0.00 0.04 0.00 0.00 61.00 62.02 1u1g s PRO 41 Cb -0.03 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1u1g s PRO 41 CO 0.83 0.57 0.25 0.54 0.04 0.00 0.00 177.00 179.24 1u1g s VAL 42 N -1.21 0.00 -0.05 -0.36 0.11 -0.62 -5.01 120.40 113.26 1u1g s VAL 42 Ca 0.34 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 1u1g s VAL 42 Cb -0.20 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1u1g s VAL 42 CO 0.22 -0.01 1.02 -0.75 -3.33 0.00 0.00 175.10 172.25 1u1g s LYS 43 N 0.11 4.48 -0.16 1.54 2.20 -1.26 -1.53 119.74 125.12 1u1g s LYS 43 Ca -0.00 1.44 -0.16 0.00 -0.36 0.00 0.00 55.97 56.88 1u1g s LYS 43 Cb -0.02 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1u1g s LYS 43 CO 0.00 -0.21 -0.31 1.28 -0.36 0.00 0.00 175.35 175.75 1u1g n LEU 44 N 4.49 1.77 -3.69 5.43 4.77 -0.71 -4.95 117.00 124.11 1u1g n LEU 44 Ca 0.08 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1u1g n LEU 44 Cb 0.49 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1u1g n LEU 44 CO 0.52 -0.30 0.13 0.00 -1.33 0.00 0.00 177.39 176.42 1u1g s ALA 45 N -2.90 -0.99 -0.22 -1.18 0.00 -1.18 -5.02 121.76 110.27 1u1g s ALA 45 Ca -0.26 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1u1g s ALA 45 Cb 0.04 0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.46 1u1g s ALA 45 CO 0.39 -0.38 0.17 0.45 0.00 0.00 0.00 175.76 176.39 1u1g s SER 46 N -1.69 2.13 -0.03 0.00 0.15 -1.26 -0.90 113.70 112.09 1u1g s SER 46 Ca -0.09 -0.61 -0.00 0.00 0.70 0.00 0.00 55.95 55.95 1u1g s SER 46 Cb -0.02 0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1u1g s SER 46 CO 0.01 -0.36 0.02 -1.00 1.20 0.00 0.00 173.24 173.11 1u1g s HIS 47 N 2.22 0.23 0.00 3.44 3.76 -0.21 -5.01 115.29 119.73 1u1g s HIS 47 Ca 0.06 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 1u1g s HIS 47 Cb -0.16 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1u1g s HIS 47 CO -0.18 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.10 1u1g n ARG 48 N 4.50 0.00 -0.11 1.40 1.74 -1.26 -1.02 116.66 121.91 1u1g n ARG 48 Ca -0.20 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.00 1u1g n ARG 48 Cb 0.50 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.21 1u1g n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1g n GLU 49 N 14.00 2.18 -3.55 5.56 0.00 -1.26 -4.87 120.64 132.70 1u1g n GLU 49 Ca 0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 57.16 54.98 1u1g n GLU 49 Cb 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 31.44 29.87 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 -1.72 3.24 -0.11 -1.84 0.40 -0.19 -4.49 117.98 113.27 1u1g s PHE 50 Ca 0.35 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 1u1g s PHE 50 Cb 0.21 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1u1g s PHE 50 CO 0.30 -0.60 -0.17 0.99 0.70 0.00 0.00 175.22 176.44 1u1g s THR 51 N 1.61 2.71 -0.07 0.64 2.01 -1.26 -1.04 115.64 120.24 1u1g s THR 51 Ca 0.03 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1u1g s THR 51 Cb -0.19 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 1u1g s THR 51 CO 0.08 0.54 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.45 1u1g s THR 52 N 0.21 1.81 0.02 -0.82 2.01 -0.08 -2.20 115.64 116.59 1u1g s THR 52 Ca -0.11 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1u1g s THR 52 Cb -0.16 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 1u1g s THR 52 CO 0.06 0.51 -0.14 0.26 -0.69 0.00 0.00 174.62 174.62 1u1g s TRP 53 N 0.10 1.23 -0.13 4.92 0.52 0.13 -1.74 118.94 123.97 1u1g s TRP 53 Ca -0.09 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 55.71 1u1g s TRP 53 Cb -0.14 -0.75 -0.03 0.00 -1.15 0.00 0.00 33.47 31.39 1u1g s TRP 53 CO 0.05 0.01 -0.05 0.50 0.02 0.00 0.00 176.95 177.48 1u1g s ARG 54 N -0.77 3.38 0.31 4.98 3.52 -0.58 -0.80 118.95 128.98 1u1g s ARG 54 Ca 0.03 -0.53 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1u1g s ARG 54 Cb -0.07 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1u1g s ARG 54 CO 0.00 0.38 0.19 0.00 -0.81 0.00 0.00 175.30 175.07 1u1g s ALA 55 N -0.03 1.91 -0.04 6.12 0.00 0.06 -1.59 121.76 128.18 1u1g s ALA 55 Ca 0.01 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.23 1u1g s ALA 55 Cb -0.13 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 1u1g s ALA 55 CO 0.03 -0.55 -0.21 -2.00 0.00 0.00 0.00 175.76 173.03 1u1g s GLU 56 N -3.75 2.06 -0.13 0.00 2.12 0.91 -0.11 118.70 119.80 1u1g s GLU 56 Ca 0.37 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 1u1g s GLU 56 Cb 0.04 -1.80 0.04 0.00 0.26 0.00 0.00 34.13 32.67 1u1g s GLU 56 CO 0.19 0.33 -0.01 -1.17 -0.54 0.00 0.00 175.26 174.07 1u1g s LEU 57 N -0.13 1.07 -1.40 2.70 2.96 0.55 -1.60 118.68 122.83 1u1g s LEU 57 Ca -0.02 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1u1g s LEU 57 Cb -0.12 -0.64 0.03 0.00 0.50 0.00 0.00 46.19 45.95 1u1g s LEU 57 CO 0.02 -0.22 0.40 0.47 -1.32 0.00 0.00 176.35 175.71 1u1g n ASP 58 N 5.03 -4.93 0.00 3.68 10.43 -1.26 -1.39 116.55 128.12 1u1g n ASP 58 Ca -0.09 -0.21 0.00 0.00 2.57 0.00 0.00 54.79 57.06 1u1g n ASP 58 Cb 0.49 -4.05 0.00 0.00 1.84 0.00 0.00 41.12 39.40 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 -1.24 0.49 3.12 0.44 0.00 -1.26 -5.05 105.19 101.68 1u1g n GLY 59 Ca -0.10 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.02 2.04 0.22 1.61 -0.14 -0.48 -5.12 119.74 116.84 1u1g s LYS 60 Ca 0.00 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 53.70 1u1g s LYS 60 Cb 0.00 -1.68 -0.10 0.00 -1.68 0.00 0.00 37.83 34.38 1u1g s LYS 60 CO 0.00 0.16 1.44 -1.25 -0.76 0.00 0.00 175.35 174.94 1u1g s PRO 61 N 0.31 4.28 0.03 -1.68 0.04 -1.26 -0.33 135.00 136.38 1u1g s PRO 61 Ca -0.11 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1u1g s PRO 61 Cb -0.14 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1u1g s PRO 61 CO 0.04 -0.43 -0.12 0.08 0.04 0.00 0.00 177.00 176.61 1u1g s VAL 62 N 0.27 0.94 -0.09 -0.36 1.01 0.84 -4.49 120.40 118.53 1u1g s VAL 62 Ca 0.61 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1u1g s VAL 62 Cb -0.41 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1u1g s VAL 62 CO 0.40 0.02 -0.03 -0.63 0.00 0.00 0.00 175.10 174.85 1u1g s ILE 63 N -0.74 4.03 -0.18 2.22 -1.09 -1.05 -0.76 121.20 123.63 1u1g s ILE 63 Ca 0.01 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1u1g s ILE 63 Cb -0.07 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1u1g s ILE 63 CO 0.01 0.59 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.45 1u1g s VAL 64 N -0.70 2.36 -0.03 2.92 1.01 0.02 -0.82 120.40 125.16 1u1g s VAL 64 Ca 0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1u1g s VAL 64 Cb -0.12 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1u1g s VAL 64 CO 0.02 0.52 0.05 0.00 0.00 0.00 0.00 175.10 175.68 1u1g s SER 66 N 1.59 7.36 -0.14 0.00 1.04 -0.93 -3.70 113.70 118.91 1u1g s SER 66 Ca -0.03 2.04 0.16 0.00 0.48 0.00 0.00 55.95 58.60 1u1g s SER 66 Cb -0.13 -2.61 -0.23 0.00 0.10 0.00 0.00 66.02 63.16 1u1g s SER 66 CO -0.03 -0.06 0.13 0.35 0.98 0.00 0.00 173.24 174.62 1u1g n THR 67 N 1.02 0.92 0.00 2.02 -2.24 -0.40 -4.43 114.28 111.17 1u1g n THR 67 Ca -0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1u1g n THR 67 Cb 0.47 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 1.84 -0.62 3.69 3.38 0.00 -0.80 -3.62 105.19 109.06 1u1g n GLY 68 Ca -0.23 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.06 4.88 0.00 -0.61 1.01 -1.26 -4.73 121.20 119.43 1u1g s ILE 69 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1u1g s ILE 69 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1u1g s ILE 69 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1u1g n GLY 70 N 3.23 2.29 0.18 6.18 0.00 -1.25 -4.75 105.19 111.08 1u1g n GLY 70 Ca 0.05 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 0.59 -0.03 -0.02 0.00 -1.88 -3.04 103.07 98.70 1u1g h GLY 71 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.11 1u1g h GLY 71 CO 0.00 0.28 -0.29 -2.55 0.00 0.00 0.00 176.54 173.98 1u1g h PRO 72 N 0.48 -0.26 -0.02 4.80 0.11 -1.96 0.27 132.00 135.43 1u1g h PRO 72 Ca 0.13 0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 1u1g h PRO 72 Cb 0.12 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1u1g h PRO 72 CO -0.02 -0.17 -0.67 0.66 -0.21 0.00 0.00 178.00 177.59 1u1g h SER 73 N -0.27 0.11 -0.82 -2.05 4.64 -1.83 -2.99 113.55 110.34 1u1g h SER 73 Ca 0.15 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1u1g h SER 73 Cb 0.51 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1u1g h SER 73 CO -0.47 0.75 0.39 0.74 -0.87 0.00 0.00 176.83 177.37 1u1g h THR 74 N 0.07 1.26 -0.25 2.95 2.02 -1.31 -2.14 112.91 115.51 1u1g h THR 74 Ca -0.01 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 1u1g h THR 74 Cb 1.20 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1u1g h THR 74 CO 0.09 0.31 -0.09 0.77 0.37 0.00 0.00 175.52 176.98 1u1g h SER 75 N 1.17 0.38 -0.10 4.18 4.64 -0.37 -1.78 113.55 121.67 1u1g h SER 75 Ca 0.28 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1u1g h SER 75 Cb 0.13 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1u1g h SER 75 CO -0.03 0.51 -0.05 0.40 -0.87 0.00 0.00 176.83 176.79 1u1g h ILE 76 N 0.38 1.32 -0.34 0.95 2.04 -1.36 -2.76 117.51 117.74 1u1g h ILE 76 Ca 0.08 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1u1g h ILE 76 Cb 0.40 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1u1g h ILE 76 CO 0.02 0.30 0.16 0.00 0.00 0.00 0.00 178.15 178.64 1u1g h ALA 77 N 0.64 0.43 -0.28 1.87 0.00 -1.19 -2.40 119.26 118.33 1u1g h ALA 77 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1u1g h ALA 77 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u1g h ALA 77 CO 0.01 -0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.46 1u1g h VAL 78 N 0.41 1.28 -0.36 0.00 2.07 -1.43 -1.83 116.25 116.38 1u1g h VAL 78 Ca 0.12 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1u1g h VAL 78 Cb 0.12 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u1g h VAL 78 CO -0.01 0.35 0.21 -0.08 0.02 0.00 0.00 177.57 178.06 1u1g h GLU 79 N 0.30 0.42 -0.07 1.57 4.57 -1.47 -1.18 114.58 118.72 1u1g h GLU 79 Ca 0.07 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 1u1g h GLU 79 Cb 0.56 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1u1g h GLU 79 CO 0.03 0.28 -0.61 0.93 -1.18 0.00 0.00 179.01 178.46 1u1g h GLU 80 N 0.43 0.24 -0.36 1.92 5.08 -1.41 -1.98 114.58 118.49 1u1g h GLU 80 Ca 0.14 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1u1g h GLU 80 Cb 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1u1g h GLU 80 CO -0.07 0.77 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.38 1u1g h LEU 81 N 0.17 0.76 -1.02 1.33 3.38 -1.20 -2.68 115.31 116.05 1u1g h LEU 81 Ca -0.01 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1u1g h LEU 81 Cb 1.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1u1g h LEU 81 CO 0.09 0.98 0.01 0.00 0.09 0.00 0.00 178.44 179.61 1u1g h ALA 82 N 1.07 1.19 -0.24 1.53 0.00 -0.96 -0.89 119.26 120.96 1u1g h ALA 82 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1u1g h ALA 82 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u1g h ALA 82 CO 0.06 0.53 -0.08 1.96 0.00 0.00 0.00 179.25 181.72 1u1g h GLN 83 N 0.67 0.37 0.00 0.00 4.20 -1.22 -2.83 115.11 116.31 1u1g h GLN 83 Ca 0.14 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1u1g h GLN 83 Cb 0.40 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1u1g h GLN 83 CO 0.02 0.47 -0.31 1.28 -0.67 0.00 0.00 178.83 179.61 1u1g n LEU 84 N -4.27 0.52 0.00 1.46 4.77 -0.88 -4.93 117.00 113.67 1u1g n LEU 84 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1u1g n LEU 84 Cb 0.27 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1u1g n LEU 84 CO 0.39 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1u1g n GLY 85 N 1.41 0.32 3.72 -0.72 0.00 -0.73 -4.83 105.19 104.35 1u1g n GLY 85 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.09 3.81 -0.01 -0.61 -1.09 -0.42 -4.55 121.20 117.25 1u1g s ILE 86 Ca 0.00 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 1u1g s ILE 86 Cb 0.00 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1u1g s ILE 86 CO 0.00 0.13 0.01 0.54 -1.23 0.00 0.00 174.94 174.39 1u1g n ARG 87 N 3.60 2.11 -4.70 2.79 5.12 0.17 -4.21 116.66 121.53 1u1g n ARG 87 Ca 0.08 -0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.74 1u1g n ARG 87 Cb 0.45 -0.86 -0.17 0.00 -1.16 0.00 0.00 32.46 30.73 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 -1.73 1.29 -0.08 0.55 2.01 -0.64 -1.91 115.64 115.13 1u1g s THR 88 Ca -0.00 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1u1g s THR 88 Cb 0.00 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1u1g s THR 88 CO 0.02 0.39 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.80 1u1g s PHE 89 N 0.52 1.93 -0.15 4.92 0.40 0.12 -1.21 117.98 124.51 1u1g s PHE 89 Ca -0.13 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.46 1u1g s PHE 89 Cb -0.15 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.06 1u1g s PHE 89 CO 0.04 -0.32 -0.13 -0.51 0.70 0.00 0.00 175.22 175.00 1u1g s LEU 90 N 0.46 1.68 -0.12 -0.37 1.43 -0.73 -1.25 118.68 119.79 1u1g s LEU 90 Ca -0.15 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1u1g s LEU 90 Cb -0.16 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1u1g s LEU 90 CO 0.06 -0.08 0.27 -0.60 0.23 0.00 0.00 176.35 176.23 1u1g s ARG 91 N 1.51 3.98 -0.06 1.70 3.52 -0.44 0.06 118.95 129.22 1u1g s ARG 91 Ca 0.04 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.78 1u1g s ARG 91 Cb -0.13 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1u1g s ARG 91 CO -0.10 0.47 -0.21 -1.50 -0.81 0.00 0.00 175.30 173.15 1u1g s ILE 92 N -0.24 1.80 0.28 4.11 1.10 -1.22 -1.92 121.20 125.10 1u1g s ILE 92 Ca 0.17 -0.91 -0.20 0.00 -0.51 0.00 0.00 60.65 59.21 1u1g s ILE 92 Cb -0.13 -1.54 0.06 0.00 0.15 0.00 0.00 42.46 40.99 1u1g s ILE 92 CO 0.06 0.50 0.87 -0.83 -2.11 0.00 0.00 174.94 173.43 1u1g s GLY 93 N 0.05 0.13 0.24 1.50 0.00 -1.14 -4.05 107.32 104.06 1u1g s GLY 93 Ca -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.26 1u1g s GLY 93 CO 0.04 0.53 0.36 -0.51 0.00 0.00 0.00 173.10 173.52 1u1g s THR 94 N -2.67 5.26 0.15 0.90 -4.23 -1.26 -2.38 115.64 111.41 1u1g s THR 94 Ca 0.16 -0.95 -0.15 0.00 -1.18 0.00 0.00 61.69 59.56 1u1g s THR 94 Cb -0.04 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1u1g s THR 94 CO 0.08 -0.33 0.42 0.28 -0.54 0.00 0.00 174.62 174.53 1u1g s THR 95 N -1.98 0.06 -0.20 3.99 -1.32 -1.02 -4.87 115.64 110.29 1u1g s THR 95 Ca 0.34 -0.79 -0.02 0.00 -1.21 0.00 0.00 61.69 60.02 1u1g s THR 95 Cb -0.09 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 1u1g s THR 95 CO 0.29 -0.26 -0.10 -0.83 -2.21 0.00 0.00 174.62 171.51 1u1g s GLY 96 N -2.85 1.53 0.38 6.08 0.00 -1.18 -2.14 107.32 109.14 1u1g s GLY 96 Ca 0.07 -1.17 -0.22 0.00 0.00 0.00 0.00 44.72 43.40 1u1g s GLY 96 CO -0.07 0.35 0.92 0.00 0.00 0.00 0.00 173.10 174.30 1u1g s ALA 97 N 1.36 3.12 -0.55 3.20 0.00 -0.42 -1.47 121.76 127.01 1u1g s ALA 97 Ca 0.05 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.45 1u1g s ALA 97 Cb -0.14 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.91 1u1g s ALA 97 CO -0.06 0.17 0.69 0.44 0.00 0.00 0.00 175.76 176.99 1u1g n ILE 98 N -0.24 0.10 -4.01 0.00 -5.35 -0.25 -1.25 119.36 108.36 1u1g n ILE 98 Ca 0.05 -0.55 -0.36 0.00 -0.27 0.00 0.00 62.75 61.62 1u1g n ILE 98 Cb 0.53 1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.44 3.49 0.43 6.28 -1.52 -1.25 -4.81 119.66 121.84 1u1g s GLN 99 Ca 0.06 -0.24 0.13 0.00 -1.95 0.00 0.00 55.36 53.35 1u1g s GLN 99 Cb 0.04 -3.12 0.92 0.00 -0.22 0.00 0.00 33.01 30.64 1u1g s GLN 99 CO 0.06 0.63 1.97 -1.35 -0.25 0.00 0.00 175.29 176.35 1u1g h PRO 100 N 5.48 0.09 0.00 2.91 0.11 -1.97 -2.98 132.00 135.64 1u1g h PRO 100 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1g h PRO 100 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1g h PRO 100 CO 0.61 0.25 0.00 1.12 -0.21 0.00 0.00 178.00 179.77 1u1g h HIS 101 N 0.09 0.00 -3.38 0.65 2.07 -2.02 -3.43 115.15 109.13 1u1g h HIS 101 Ca 0.02 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.95 1u1g h HIS 101 Cb 0.33 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.22 1u1g h HIS 101 CO 0.00 0.00 0.20 0.42 -3.07 0.00 0.00 177.93 175.48 1u1g s ILE 102 N -3.18 4.98 0.29 6.12 1.01 -1.13 -5.07 121.20 124.23 1u1g s ILE 102 Ca 0.08 1.34 0.06 0.00 0.00 0.00 0.00 60.65 62.13 1u1g s ILE 102 Cb 0.08 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1u1g s ILE 102 CO 0.63 0.09 0.33 0.20 0.00 0.00 0.00 174.94 176.20 1u1g s ASN 103 N 1.16 5.79 0.02 3.58 0.01 -1.26 -4.85 114.94 119.39 1u1g s ASN 103 Ca 0.32 -0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.96 1u1g s ASN 103 Cb -0.16 -1.37 -0.07 0.00 0.41 0.00 0.00 41.25 40.06 1u1g s ASN 103 CO 0.11 -0.23 1.63 -0.69 -1.51 0.00 0.00 177.10 176.41 1u1g s VAL 104 N -2.15 3.28 0.00 1.60 1.01 -1.26 -2.40 120.40 120.49 1u1g s VAL 104 Ca 0.38 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1u1g s VAL 104 Cb -0.08 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1u1g s VAL 104 CO 0.28 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1u1g n GLY 105 N 4.00 1.89 3.80 4.51 0.00 -0.62 -5.03 105.19 113.73 1u1g n GLY 105 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.85 5.01 -0.09 1.61 1.01 -1.01 -4.77 116.67 116.58 1u1g s ASP 106 Ca 0.00 1.73 0.01 0.00 0.71 0.00 0.00 52.55 55.00 1u1g s ASP 106 Cb 0.00 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1u1g s ASP 106 CO 0.00 -1.69 -0.12 -0.69 0.21 0.00 0.00 175.17 172.88 1u1g s VAL 107 N -2.94 3.19 -0.07 -1.27 1.01 -0.62 -1.48 120.40 118.21 1u1g s VAL 107 Ca 0.60 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1u1g s VAL 107 Cb -0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1u1g s VAL 107 CO 0.54 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 175.22 1u1g s LEU 108 N -0.21 2.25 -0.17 3.92 1.43 0.32 -1.90 118.68 124.32 1u1g s LEU 108 Ca 0.01 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1u1g s LEU 108 Cb -0.13 -1.43 -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 -0.09 3.28 -0.24 -1.59 1.01 -0.68 -1.40 120.40 120.69 1u1g s VAL 109 Ca -0.05 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1u1g s VAL 109 Cb -0.14 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1u1g s VAL 109 CO 0.04 0.48 0.46 -0.89 0.00 0.00 0.00 175.10 175.19 1u1g s THR 110 N 0.86 5.12 -0.05 3.92 2.01 -1.05 -2.32 115.64 124.13 1u1g s THR 110 Ca -0.02 0.79 -0.21 0.00 0.31 0.00 0.00 61.69 62.55 1u1g s THR 110 Cb -0.15 -3.78 -0.31 0.00 0.01 0.00 0.00 72.50 68.27 1u1g s THR 110 CO 0.01 0.15 0.88 0.71 -0.69 0.00 0.00 174.62 175.67 1u1g h THR 111 N 5.28 1.48 -3.12 -0.82 1.35 -1.58 -3.42 112.91 112.09 1u1g h THR 111 Ca -0.32 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 1u1g h THR 111 Cb 1.15 3.17 -0.09 0.00 -1.73 0.00 0.00 68.15 70.65 1u1g h THR 111 CO 0.70 0.72 0.15 0.00 -0.25 0.00 0.00 175.52 176.84 1u1g s ALA 112 N -2.43 -1.25 0.03 6.62 0.00 -1.26 -0.89 121.76 122.58 1u1g s ALA 112 Ca -0.14 0.01 0.06 0.00 0.00 0.00 0.00 51.96 51.89 1u1g s ALA 112 Cb 0.01 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1u1g s ALA 112 CO 0.83 -0.85 -0.18 -1.12 0.00 0.00 0.00 175.76 174.44 1u1g s SER 113 N -2.84 2.09 -0.03 0.00 0.01 -0.62 -2.13 113.70 110.18 1u1g s SER 113 Ca 0.07 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1u1g s SER 113 Cb -0.02 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1u1g s SER 113 CO -0.04 0.14 1.28 -0.69 0.41 0.00 0.00 173.24 174.34 1u1g s VAL 114 N -0.69 4.03 -1.14 3.43 1.01 0.69 -4.39 120.40 123.34 1u1g s VAL 114 Ca 0.05 1.38 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 1u1g s VAL 114 Cb -0.08 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1u1g s VAL 114 CO 0.01 -0.00 1.42 -0.13 0.00 0.00 0.00 175.10 176.39 1u1g s ARG 115 N 2.30 3.91 -0.59 2.72 0.52 -1.26 -2.03 118.95 124.52 1u1g s ARG 115 Ca 0.59 -2.16 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 1u1g s ARG 115 Cb -0.27 -5.14 0.52 0.00 0.52 0.00 0.00 34.95 30.57 1u1g s ARG 115 CO 0.24 -1.89 1.98 1.28 0.02 0.00 0.00 175.30 176.93 1u1g n LEU 116 N 6.62 7.34 -4.56 2.53 4.77 -0.80 -4.96 117.00 127.93 1u1g n LEU 116 Ca 0.35 -4.09 -0.26 0.00 -0.03 0.00 0.00 56.01 51.98 1u1g n LEU 116 Cb 0.46 -0.92 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 1u1g n LEU 116 CO 0.62 1.36 -0.24 1.51 -1.33 0.00 0.00 177.39 179.30 1u1g s ASP 117 N -1.71 3.10 -0.16 -1.43 -4.77 -1.24 -1.90 116.67 108.56 1u1g s ASP 117 Ca 0.62 -1.54 0.08 0.00 -3.30 0.00 0.00 52.55 48.41 1u1g s ASP 117 Cb 0.50 0.21 -0.15 0.00 -1.09 0.00 0.00 42.92 42.39 1u1g s ASP 117 CO 0.03 -0.75 -0.03 0.61 0.70 0.00 0.00 175.17 175.72 1u1g n GLY 118 N -0.93 -0.53 0.26 2.12 0.00 -1.26 -4.70 105.19 100.15 1u1g n GLY 118 Ca -0.08 -0.19 -0.03 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 0.43 1.13 -0.55 4.61 0.00 -1.98 -2.76 119.26 120.14 1u1g h ALA 119 Ca -0.39 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.29 1u1g h ALA 119 Cb 1.78 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1u1g h ALA 119 CO -0.01 0.54 0.37 0.66 0.00 0.00 0.00 179.25 180.81 1u1g h SER 120 N 0.52 0.41 0.74 0.00 4.64 -1.85 -1.15 113.55 116.85 1u1g h SER 120 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u1g h SER 120 Cb 0.57 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1u1g h SER 120 CO 0.04 0.26 0.00 -0.07 -0.87 0.00 0.00 176.83 176.19 1u1g h LEU 121 N 0.46 0.00 0.00 5.97 3.38 -1.61 -2.02 115.31 121.49 1u1g h LEU 121 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1u1g h LEU 121 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1u1g h LEU 121 CO -0.07 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.87 1u1g n HIS 122 N -2.88 0.00 -0.02 1.13 8.25 -0.44 -3.89 115.22 117.37 1u1g n HIS 122 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1u1g n HIS 122 Cb 0.24 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.35 0.00 -3.61 4.41 3.01 -0.85 -5.08 117.46 113.99 1u1g n PHE 123 Ca 0.12 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.42 1u1g n PHE 123 Cb 0.27 -0.18 -0.07 0.00 -0.01 0.00 0.00 39.48 39.48 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 -2.09 -1.51 0.88 4.37 0.00 -0.82 -5.01 121.76 117.57 1u1g s ALA 124 Ca -0.03 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.09 1u1g s ALA 124 Cb 0.01 -0.31 0.12 0.00 0.00 0.00 0.00 23.12 22.94 1u1g s ALA 124 CO 0.13 -0.32 1.14 -1.25 0.00 0.00 0.00 175.76 175.46 1u1g s PRO 125 N -0.73 1.33 0.49 0.00 0.04 -1.26 -3.94 135.00 130.94 1u1g s PRO 125 Ca -0.08 1.48 0.20 0.00 0.04 0.00 0.00 61.00 62.64 1u1g s PRO 125 Cb -0.02 -1.77 1.25 0.00 0.04 0.00 0.00 34.50 33.99 1u1g s PRO 125 CO 0.06 -2.39 2.01 1.25 0.04 0.00 0.00 177.00 177.97 1u1g h LEU 126 N -1.65 0.14 -2.29 -3.56 5.85 -1.94 -1.40 115.31 110.46 1u1g h LEU 126 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1u1g h LEU 126 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1g h LEU 126 CO 0.44 0.08 0.00 1.05 -0.34 0.00 0.00 178.44 179.67 1u1g h GLU 127 N 0.15 0.00 -6.54 1.25 9.09 -2.03 -3.43 114.58 113.07 1u1g h GLU 127 Ca 0.23 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.11 1u1g h GLU 127 Cb 0.72 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.83 1u1g h GLU 127 CO -0.03 0.00 0.56 0.12 0.05 0.00 0.00 179.01 179.71 1u1g s PHE 128 N -3.92 3.44 0.15 2.06 2.19 -0.53 -5.00 117.98 116.36 1u1g s PHE 128 Ca -0.02 1.33 -0.30 0.00 0.33 0.00 0.00 56.93 58.26 1u1g s PHE 128 Cb 0.11 -3.43 -0.07 0.00 -1.31 0.00 0.00 43.02 38.32 1u1g s PHE 128 CO 0.46 -1.28 1.19 -1.25 1.83 0.00 0.00 175.22 176.17 1u1g s PRO 129 N 0.68 4.48 -1.50 10.12 0.04 -1.26 -4.94 135.00 142.63 1u1g s PRO 129 Ca 0.57 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1u1g s PRO 129 Cb -0.31 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1u1g s PRO 129 CO 0.31 -0.12 2.53 0.00 0.04 0.00 0.00 177.00 179.76 1u1g n ALA 130 N 2.94 6.57 -2.72 8.56 0.00 -1.26 -4.78 120.51 129.82 1u1g n ALA 130 Ca 0.06 -3.80 -0.35 0.00 0.00 0.00 0.00 53.44 49.34 1u1g n ALA 130 Cb 0.45 -3.31 -0.05 0.00 0.00 0.00 0.00 19.45 16.54 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 1.89 5.27 0.59 0.00 0.11 -1.26 -1.59 120.40 125.40 1u1g s VAL 131 Ca 0.57 0.27 -0.10 0.00 -2.93 0.00 0.00 61.98 59.79 1u1g s VAL 131 Cb 0.16 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1u1g s VAL 131 CO -0.07 0.39 0.97 0.00 -3.33 0.00 0.00 175.10 173.07 1u1g s ALA 132 N -1.27 3.17 0.22 1.54 0.00 -0.07 -4.72 121.76 120.64 1u1g s ALA 132 Ca 0.27 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1u1g s ALA 132 Cb -0.13 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 1u1g s ALA 132 CO 0.15 -0.61 1.24 0.34 0.00 0.00 0.00 175.76 176.88 1u1g s ASP 133 N -4.16 6.99 0.24 0.00 2.15 -0.25 -4.96 116.67 116.68 1u1g s ASP 133 Ca 0.53 2.37 -0.05 0.00 0.43 0.00 0.00 52.55 55.83 1u1g s ASP 133 Cb -0.11 -2.62 0.26 0.00 -0.30 0.00 0.00 42.92 40.15 1u1g s ASP 133 CO 0.52 -0.42 1.79 0.15 -0.17 0.00 0.00 175.17 177.03 1u1g h PHE 134 N 4.82 1.06 -0.19 -5.34 3.04 -1.96 -1.29 116.94 117.08 1u1g h PHE 134 Ca -0.46 -0.10 -0.13 0.00 3.98 0.00 0.00 57.97 61.27 1u1g h PHE 134 Cb 1.22 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1u1g h PHE 134 CO 0.61 0.84 -0.43 0.93 -2.02 0.00 0.00 178.31 178.24 1u1g h GLU 135 N 0.99 0.45 -0.21 1.11 5.08 -1.96 -1.94 114.58 118.10 1u1g h GLU 135 Ca 0.22 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1u1g h GLU 135 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1u1g h GLU 135 CO -0.01 0.80 -0.41 0.00 -1.00 0.00 0.00 179.01 178.39 1u1g h THR 137 N 0.34 1.24 -0.61 0.00 2.02 -1.21 -2.04 112.91 112.65 1u1g h THR 137 Ca 0.01 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 1u1g h THR 137 Cb 1.01 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1u1g h THR 137 CO 0.09 0.31 0.16 0.74 0.37 0.00 0.00 175.52 177.19 1u1g h THR 138 N 0.84 1.24 -0.27 3.16 2.02 -1.40 -1.93 112.91 116.57 1u1g h THR 138 Ca 0.19 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1u1g h THR 138 Cb 0.27 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1u1g h THR 138 CO -0.01 0.32 -0.22 0.00 0.37 0.00 0.00 175.52 175.99 1u1g h ALA 139 N 1.27 1.12 -0.02 6.16 0.00 -1.20 -2.13 119.26 124.47 1u1g h ALA 139 Ca 0.20 -0.33 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1u1g h ALA 139 Cb 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1u1g h ALA 139 CO -0.00 0.55 -0.99 -0.07 0.00 0.00 0.00 179.25 178.73 1u1g h LEU 140 N 0.46 0.83 -0.26 0.00 3.38 -1.13 -2.47 115.31 116.11 1u1g h LEU 140 Ca 0.07 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 1u1g h LEU 140 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1u1g h LEU 140 CO 0.04 1.45 -0.09 0.58 0.09 0.00 0.00 178.44 180.51 1u1g h VAL 141 N 0.37 1.29 0.00 1.22 2.07 -1.33 -1.93 116.25 117.95 1u1g h VAL 141 Ca -0.11 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 1u1g h VAL 141 Cb 1.64 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1u1g h VAL 141 CO 0.19 0.36 -0.46 -0.33 0.02 0.00 0.00 177.57 177.34 1u1g h GLU 142 N 0.27 0.00 -0.10 1.57 5.08 -1.48 -2.15 114.58 117.77 1u1g h GLU 142 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1u1g h GLU 142 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1u1g h GLU 142 CO 0.03 0.46 -0.62 0.00 -1.00 0.00 0.00 179.01 177.88 1u1g h ALA 143 N 1.54 0.73 -0.42 3.43 0.00 -1.39 -2.13 119.26 121.02 1u1g h ALA 143 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1u1g h ALA 143 Cb 0.84 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1u1g h ALA 143 CO 0.06 0.73 -0.18 0.00 0.00 0.00 0.00 179.25 179.86 1u1g h ALA 144 N 1.06 0.90 0.00 0.00 0.00 -1.01 -2.76 119.26 117.44 1u1g h ALA 144 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1u1g h ALA 144 Cb 1.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1u1g h ALA 144 CO 0.11 0.63 -0.13 1.57 0.00 0.00 0.00 179.25 181.42 1u1g h LYS 145 N 0.71 0.00 -0.32 0.00 5.09 -1.38 -2.56 116.57 118.11 1u1g h LYS 145 Ca 0.11 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.68 1u1g h LYS 145 Cb 0.69 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.02 1u1g h LYS 145 CO 0.05 0.13 -0.46 1.03 -2.09 0.00 0.00 179.45 178.12 1u1g h SER 146 N 0.00 0.92 0.53 7.07 0.87 -1.09 -3.22 113.55 118.63 1u1g h SER 146 Ca -0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1u1g h SER 146 Cb 0.90 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1u1g h SER 146 CO 0.02 1.23 -0.88 2.30 -0.53 0.00 0.00 176.83 178.97 1u1g n ILE 147 N -4.03 0.19 -1.64 2.23 -6.64 -1.13 -5.03 119.36 103.30 1u1g n ILE 147 Ca -0.03 -0.22 -0.01 0.00 -1.77 0.00 0.00 62.75 60.73 1u1g n ILE 147 Cb 0.58 0.15 0.00 0.00 -1.44 0.00 0.00 39.64 38.93 1u1g n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1u1g n GLY 148 N 1.38 -1.54 3.00 3.28 0.00 -0.98 -5.11 105.19 105.21 1u1g n GLY 148 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.83 0.08 -0.35 4.61 0.00 -1.10 -5.05 121.76 119.13 1u1g s ALA 149 Ca 0.02 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1u1g s ALA 149 Cb -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1u1g s ALA 149 CO 0.08 -0.17 1.63 0.99 0.00 0.00 0.00 175.76 178.30 1u1g s THR 150 N -1.52 3.66 -0.03 0.00 2.01 -1.26 -4.80 115.64 113.70 1u1g s THR 150 Ca -0.15 0.68 0.07 0.00 0.31 0.00 0.00 61.69 62.60 1u1g s THR 150 Cb -0.09 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1u1g s THR 150 CO -0.01 -0.53 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.26 1u1g s THR 151 N 6.15 2.22 -0.04 -0.82 2.01 -1.26 -1.59 115.64 122.31 1u1g s THR 151 Ca 0.72 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.74 1u1g s THR 151 Cb -0.19 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1u1g s THR 151 CO 0.33 0.58 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.62 1u1g s HIS 152 N -0.57 2.05 -0.12 4.92 3.76 -0.80 -5.00 115.29 119.54 1u1g s HIS 152 Ca 0.08 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1u1g s HIS 152 Cb -0.11 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 1u1g s HIS 152 CO -0.00 -0.12 -0.17 0.08 -0.85 0.00 0.00 174.74 173.67 1u1g s VAL 153 N -0.26 2.67 -1.59 -0.90 1.01 -1.26 -1.68 120.40 118.38 1u1g s VAL 153 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1u1g s VAL 153 Cb -0.11 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1u1g s VAL 153 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1g n GLY 154 N 3.54 -0.67 3.86 4.51 0.00 -0.98 -4.99 105.19 110.45 1u1g n GLY 154 Ca -0.18 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.77 5.13 -0.02 1.61 1.01 -1.26 -1.36 120.40 121.73 1u1g s VAL 155 Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1u1g s VAL 155 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1u1g s VAL 155 CO 0.00 0.46 -0.24 -0.89 0.00 0.00 0.00 175.10 174.44 1u1g s THR 156 N -1.20 2.26 -0.22 3.92 2.01 -0.90 -1.30 115.64 120.21 1u1g s THR 156 Ca 0.26 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 1u1g s THR 156 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1u1g s THR 156 CO 0.14 0.57 0.56 0.00 -0.69 0.00 0.00 174.62 175.20 1u1g s ALA 157 N -0.65 3.56 -0.34 7.40 0.00 -0.48 -0.22 121.76 131.03 1u1g s ALA 157 Ca 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1u1g s ALA 157 Cb -0.10 -2.89 0.07 0.00 0.00 0.00 0.00 23.12 20.20 1u1g s ALA 157 CO -0.00 -0.57 0.09 0.45 0.00 0.00 0.00 175.76 175.72 1u1g s SER 158 N 1.28 5.07 -0.00 0.00 0.15 -0.86 -1.86 113.70 117.47 1u1g s SER 158 Ca 0.25 -1.56 -0.01 0.00 0.70 0.00 0.00 55.95 55.33 1u1g s SER 158 Cb -0.16 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1u1g s SER 158 CO 0.09 -0.37 0.10 -0.55 1.20 0.00 0.00 173.24 173.71 1u1g s SER 159 N 1.46 5.81 0.12 5.45 0.15 -0.26 -1.91 113.70 124.52 1u1g s SER 159 Ca 0.01 0.18 0.25 0.00 0.70 0.00 0.00 55.95 57.09 1u1g s SER 159 Cb -0.21 -1.70 0.95 0.00 -1.71 0.00 0.00 66.02 63.35 1u1g s SER 159 CO -0.02 0.27 1.77 0.47 1.20 0.00 0.00 173.24 176.93 1u1g n ASP 160 N 1.13 0.42 -4.34 5.45 9.92 -0.80 -4.37 116.55 123.96 1u1g n ASP 160 Ca -0.13 0.56 -0.19 0.00 -0.53 0.00 0.00 54.79 54.51 1u1g n ASP 160 Cb 0.53 -0.66 -0.10 0.00 -0.64 0.00 0.00 41.12 40.24 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 -3.09 1.71 0.01 -3.53 -4.23 -1.26 -5.02 115.64 100.23 1u1g s THR 161 Ca 0.10 -2.15 0.09 0.00 -1.18 0.00 0.00 61.69 58.55 1u1g s THR 161 Cb 0.13 -1.99 -0.23 0.00 1.34 0.00 0.00 72.50 71.76 1u1g s THR 161 CO 0.49 -0.56 0.88 0.15 -0.54 0.00 0.00 174.62 175.04 1u1g h PHE 162 N 2.70 0.05 0.00 3.99 3.57 -1.97 -3.40 116.94 121.88 1u1g h PHE 162 Ca -0.39 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1u1g h PHE 162 Cb 1.22 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1u1g h PHE 162 CO 0.71 1.05 0.00 0.66 -2.23 0.00 0.00 178.31 178.50 1u1g n TYR 163 N -3.19 0.00 -0.09 0.41 4.02 -1.26 -4.39 117.16 112.65 1u1g n TYR 163 Ca -0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.71 1u1g n TYR 163 Cb 1.01 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.45 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 0.77 0.00 -0.72 0.13 -1.88 0.49 132.00 130.80 1u1g h PRO 164 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1u1g h PRO 164 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1u1g h PRO 164 CO 0.00 0.88 0.00 0.78 -0.23 0.00 0.00 178.00 179.43 1u1g h GLY 165 N 0.97 0.00 -2.04 1.56 0.00 -1.87 -1.54 103.07 100.15 1u1g h GLY 165 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1u1g h GLY 165 CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 1u1g n GLN 166 N -2.95 3.20 -3.63 4.80 6.02 -1.05 -4.94 117.38 118.83 1u1g n GLN 166 Ca 0.00 -2.59 -0.24 0.00 -0.01 0.00 0.00 57.00 54.17 1u1g n GLN 166 Cb 0.27 -1.66 0.04 0.00 1.02 0.00 0.00 30.24 29.91 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 0.48 -3.17 -3.61 -1.09 2.13 -0.58 -4.95 120.64 109.85 1u1g n GLU 167 Ca 0.20 0.60 -0.36 0.00 0.66 0.00 0.00 57.16 58.25 1u1g n GLU 167 Cb 0.73 -4.91 -0.07 0.00 0.27 0.00 0.00 31.44 27.46 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 -5.74 4.21 -0.00 5.31 0.52 0.12 -4.99 118.95 118.38 1u1g s ARG 168 Ca 0.23 -0.02 0.14 0.00 -0.52 0.00 0.00 55.73 55.56 1u1g s ARG 168 Cb -0.07 -3.42 -0.17 0.00 0.52 0.00 0.00 34.95 31.82 1u1g s ARG 168 CO 0.82 0.27 0.56 0.66 0.02 0.00 0.00 175.30 177.63 1u1g n TYR 169 N 3.51 0.00 -2.00 -0.53 4.02 -1.26 -4.47 117.16 116.43 1u1g n TYR 169 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.33 1u1g n TYR 169 Cb 0.52 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 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 -1.46 4.29 -3.49 7.72 2.03 -1.26 -4.31 116.55 120.06 1u1g n ASP 170 Ca 0.02 -2.91 -0.22 0.00 0.52 0.00 0.00 54.79 52.20 1u1g n ASP 170 Cb 0.25 -1.63 -0.07 0.00 -0.72 0.00 0.00 41.12 38.95 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 4.90 0.00 -0.03 5.18 -2.24 -1.26 -5.03 114.28 115.80 1u1g n THR 171 Ca 0.49 -2.16 -0.11 0.00 -2.27 0.00 0.00 64.05 59.99 1u1g n THR 171 Cb 0.39 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.70 0.22 0.13 4.78 5.03 -1.99 -3.25 116.97 123.59 1u1g h TYR 172 Ca -0.27 -0.01 -0.29 0.00 2.58 0.00 0.00 58.73 60.74 1u1g h TYR 172 Cb 1.10 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.31 1u1g h TYR 172 CO 0.00 0.27 -1.35 0.66 -1.32 0.00 0.00 178.16 176.42 1u1g h SER 173 N 0.10 0.44 -0.28 -2.11 4.64 -1.97 -3.48 113.55 110.88 1u1g h SER 173 Ca 0.05 -0.51 -0.12 0.00 -0.47 0.00 0.00 61.79 60.74 1u1g h SER 173 Cb 0.14 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1u1g h SER 173 CO -0.01 1.41 -0.11 0.61 -0.87 0.00 0.00 176.83 177.86 1u1g n GLY 174 N 1.59 0.84 3.29 -0.77 0.00 -1.23 -5.03 105.19 103.88 1u1g n GLY 174 Ca -0.12 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.36 1.16 -0.05 1.61 1.70 -1.26 -4.96 118.95 114.78 1u1g s ARG 175 Ca 0.00 -1.26 0.04 0.00 -0.47 0.00 0.00 55.73 54.05 1u1g s ARG 175 Cb 0.00 -1.29 -0.00 0.00 -0.57 0.00 0.00 34.95 33.09 1u1g s ARG 175 CO 0.00 0.28 -0.18 0.08 -1.08 0.00 0.00 175.30 174.40 1u1g s VAL 176 N -1.61 1.54 0.53 4.99 1.01 -1.26 -4.95 120.40 120.65 1u1g s VAL 176 Ca 0.10 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1u1g s VAL 176 Cb -0.08 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 1u1g s VAL 176 CO 0.05 0.44 1.22 0.55 0.00 0.00 0.00 175.10 177.36 1u1g n VAL 177 N 3.26 3.55 -0.31 2.92 3.14 -1.26 -4.71 118.33 124.91 1u1g n VAL 177 Ca -0.19 -0.50 0.15 0.00 -2.96 0.00 0.00 64.34 60.84 1u1g n VAL 177 Cb 0.53 -1.48 0.31 0.00 -1.06 0.00 0.00 33.84 32.14 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 1.28 0.14 -0.62 1.45 2.43 -2.00 -0.97 114.38 116.09 1u1g h ARG 178 Ca -0.49 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.74 1u1g h ARG 178 Cb 1.32 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 1u1g h ARG 178 CO 0.56 0.09 0.41 1.25 -1.51 0.00 0.00 179.97 180.77 1u1g h HIS 179 N 0.14 0.58 -0.06 2.20 2.76 -2.03 -2.53 115.15 116.22 1u1g h HIS 179 Ca 0.58 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.77 1u1g h HIS 179 Cb 1.23 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1u1g h HIS 179 CO -0.30 0.31 0.00 1.19 -1.30 0.00 0.00 177.93 177.83 1u1g n PHE 180 N -4.48 0.05 -2.14 5.26 3.01 -0.40 -4.80 117.46 113.95 1u1g n PHE 180 Ca 0.09 -0.03 -0.43 0.00 1.01 0.00 0.00 57.45 58.10 1u1g n PHE 180 Cb 0.26 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 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 -1.79 4.15 -0.25 -1.08 -0.14 -0.95 -2.38 119.74 117.29 1u1g s LYS 181 Ca 0.27 1.97 0.00 0.00 -1.36 0.00 0.00 55.97 56.85 1u1g s LYS 181 Cb 0.19 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 1u1g s LYS 181 CO 0.28 -0.87 0.00 0.41 -0.76 0.00 0.00 175.35 174.41 1u1g n GLY 182 N 4.05 0.57 0.22 -3.33 0.00 -1.26 -4.94 105.19 100.50 1u1g n GLY 182 Ca 0.16 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 0.72 -0.55 1.61 4.64 -1.78 -3.11 113.55 115.07 1u1g h SER 183 Ca -0.05 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1u1g h SER 183 Cb 0.26 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1u1g h SER 183 CO 0.07 1.12 0.28 -0.03 -0.87 0.00 0.00 176.83 177.41 1u1g h MET 184 N 0.50 0.78 -0.57 4.77 -1.53 -1.92 -1.46 114.93 115.50 1u1g h MET 184 Ca 0.01 -0.10 -0.01 0.00 -3.44 0.00 0.00 59.70 56.15 1u1g h MET 184 Cb 1.11 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.99 1u1g h MET 184 CO 0.11 0.62 0.31 1.49 0.14 0.00 0.00 176.91 179.58 1u1g h GLU 185 N 0.74 0.78 -0.16 0.39 4.81 -1.98 -1.15 114.58 118.01 1u1g h GLU 185 Ca 0.19 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1u1g h GLU 185 Cb 0.09 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1u1g h GLU 185 CO -0.03 0.58 -0.07 1.49 -0.73 0.00 0.00 179.01 180.25 1u1g h GLU 186 N 0.79 0.33 -0.58 1.92 4.57 -1.37 -2.49 114.58 117.75 1u1g h GLU 186 Ca 0.20 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1u1g h GLU 186 Cb 0.02 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1u1g h GLU 186 CO -0.03 0.63 0.24 -1.49 -1.18 0.00 0.00 179.01 177.18 1u1g h TRP 187 N 0.01 0.83 -0.61 0.92 -0.00 -1.09 -2.38 115.95 113.64 1u1g h TRP 187 Ca 0.04 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1u1g h TRP 187 Cb 0.53 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.40 1u1g h TRP 187 CO 0.06 0.64 0.38 1.96 -0.00 0.00 0.00 178.44 181.48 1u1g h GLN 188 N 0.83 0.83 0.00 0.49 4.20 -1.14 -1.77 115.11 118.55 1u1g h GLN 188 Ca 0.20 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1u1g h GLN 188 Cb 0.15 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1u1g h GLN 188 CO -0.02 0.59 -0.09 0.00 -0.67 0.00 0.00 178.83 178.64 1u1g h ALA 189 N 1.19 1.01 -0.01 3.87 0.00 -1.17 -2.94 119.26 121.22 1u1g h ALA 189 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u1g h ALA 189 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1u1g h ALA 189 CO -0.04 0.11 -0.10 -1.33 0.00 0.00 0.00 179.25 177.89 1u1g n MET 190 N -3.21 1.37 -0.48 0.00 2.81 -0.91 -4.94 117.12 111.75 1u1g n MET 190 Ca 0.01 -0.81 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1u1g n MET 190 Cb 0.37 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.24 0.75 3.74 3.03 0.00 -1.03 -5.04 105.19 107.88 1u1g n GLY 191 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.28 2.22 -0.04 1.61 1.01 -0.71 -4.65 120.40 117.55 1u1g s VAL 192 Ca 0.00 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 1u1g s VAL 192 Cb 0.00 -3.11 -0.31 0.00 0.00 0.00 0.00 36.38 32.96 1u1g s VAL 192 CO 0.00 0.02 0.82 0.24 0.00 0.00 0.00 175.10 176.18 1u1g h MET 193 N 5.66 0.35 -3.15 2.72 0.00 -1.52 -3.42 114.93 115.56 1u1g h MET 193 Ca -0.45 -0.59 -0.00 0.00 0.00 0.00 0.00 59.70 58.65 1u1g h MET 193 Cb 1.21 0.22 -0.04 0.00 0.00 0.00 0.00 31.60 33.00 1u1g h MET 193 CO 0.85 1.28 0.18 0.54 0.00 0.00 0.00 176.91 179.76 1u1g s ASN 194 N -7.15 -0.05 -0.09 1.22 4.22 -1.26 -1.09 114.94 110.74 1u1g s ASN 194 Ca -0.14 -0.92 0.03 0.00 -2.14 0.00 0.00 52.86 49.69 1u1g s ASN 194 Cb 0.03 0.76 -0.01 0.00 1.28 0.00 0.00 41.25 43.30 1u1g s ASN 194 CO 0.84 -1.46 -0.18 -0.31 -2.04 0.00 0.00 177.10 173.95 1u1g s TYR 195 N -3.23 2.66 0.00 1.54 4.12 -0.54 -1.38 117.35 120.51 1u1g s TYR 195 Ca 0.15 -0.63 0.00 0.00 0.02 0.00 0.00 57.07 56.62 1u1g s TYR 195 Cb -0.05 -1.72 0.00 0.00 -1.52 0.00 0.00 41.96 38.68 1u1g s TYR 195 CO 0.10 -0.16 0.00 -0.85 0.02 0.00 0.00 175.55 174.66 1u1g n GLU 196 N 3.13 0.00 0.00 -0.62 -0.00 -0.78 -3.12 120.64 119.25 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 1.42 0.00 3.44 2.81 -1.26 -1.11 117.12 122.42 1u1g n MET 197 Ca 0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 1u1g n MET 197 Cb 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 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 -0.24 2.52 -0.19 0.03 4.71 -1.26 -3.80 120.64 122.41 1u1g n GLU 198 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1u1g n GLU 198 Cb 0.38 -0.59 0.25 0.00 -1.01 0.00 0.00 31.44 30.47 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 0.83 -0.55 1.62 4.64 -1.95 -2.40 113.55 115.75 1u1g h SER 199 Ca 0.00 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1u1g h SER 199 Cb 0.10 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 1u1g h SER 199 CO 0.00 0.62 0.33 0.00 -0.87 0.00 0.00 176.83 176.91 1u1g h ALA 200 N 1.52 0.71 -0.09 5.18 0.00 -1.88 -0.01 119.26 124.69 1u1g h ALA 200 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1u1g h ALA 200 Cb -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u1g h ALA 200 CO -0.05 0.04 -0.03 1.15 0.00 0.00 0.00 179.25 180.36 1u1g h THR 201 N 0.65 1.30 -0.06 0.00 2.02 -1.85 -2.72 112.91 112.24 1u1g h THR 201 Ca 0.22 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1u1g h THR 201 Cb 0.03 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1u1g h THR 201 CO -0.10 0.27 0.03 0.25 0.37 0.00 0.00 175.52 176.35 1u1g h LEU 202 N -0.16 0.08 -0.52 2.58 5.85 -1.27 -2.22 115.31 119.64 1u1g h LEU 202 Ca 0.02 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 1u1g h LEU 202 Cb 0.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1u1g h LEU 202 CO 0.01 0.14 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.79 1u1g h LEU 203 N 0.01 0.82 -0.03 2.25 3.38 -1.09 -2.64 115.31 118.02 1u1g h LEU 203 Ca 0.02 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1u1g h LEU 203 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1u1g h LEU 203 CO -0.00 1.11 -0.00 0.74 0.09 0.00 0.00 178.44 180.38 1u1g h THR 204 N 0.63 1.28 0.00 0.22 2.02 -1.49 -2.11 112.91 113.46 1u1g h THR 204 Ca 0.05 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1u1g h THR 204 Cb 0.94 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1u1g h THR 204 CO 0.09 0.22 -0.28 0.00 0.37 0.00 0.00 175.52 175.92 1u1g h MET 205 N -0.29 0.00 0.13 6.66 -0.00 -1.42 -2.10 114.93 117.90 1u1g h MET 205 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 1u1g h MET 205 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.98 1u1g h MET 205 CO 0.00 0.28 -0.88 0.00 -0.00 0.00 0.00 176.91 176.32 1u1g h ALA 207 N 0.05 1.37 -0.44 0.00 0.00 -1.30 0.52 119.26 119.46 1u1g h ALA 207 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u1g h ALA 207 Cb 1.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1u1g h ALA 207 CO 0.13 0.31 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1u1g n SER 208 N -3.93 2.92 0.00 0.00 3.41 -0.80 -4.22 113.62 111.01 1u1g n SER 208 Ca -0.02 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1u1g n SER 208 Cb 0.33 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.11 0.52 -2.14 4.33 6.02 -1.01 -5.03 117.38 121.18 1u1g n GLN 209 Ca 0.19 -0.59 -0.02 0.00 -0.01 0.00 0.00 57.00 56.56 1u1g n GLN 209 Cb 0.49 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 31.11 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 -0.10 0.36 3.47 1.08 0.00 -0.95 -5.05 105.19 104.00 1u1g n GLY 210 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.82 2.68 -0.01 0.99 1.43 0.13 -5.05 118.68 118.03 1u1g s LEU 211 Ca 0.01 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1u1g s LEU 211 Cb -0.00 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 1u1g s LEU 211 CO 0.01 0.27 0.65 -0.13 0.23 0.00 0.00 176.35 177.37 1u1g s ARG 212 N -1.38 4.38 -0.03 1.70 0.52 -0.80 -3.94 118.95 119.40 1u1g s ARG 212 Ca 0.15 0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 56.15 1u1g s ARG 212 Cb -0.11 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.01 1u1g s ARG 212 CO 0.05 0.29 0.09 0.00 0.02 0.00 0.00 175.30 175.75 1u1g s ALA 213 N 0.03 -0.20 0.10 2.13 0.00 -1.26 -0.70 121.76 121.85 1u1g s ALA 213 Ca 0.34 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1u1g s ALA 213 Cb -0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1u1g s ALA 213 CO 0.18 -0.05 -0.08 0.20 0.00 0.00 0.00 175.76 176.01 1u1g s GLY 214 N 0.15 0.82 -0.03 0.00 0.00 -0.38 -1.09 107.32 106.78 1u1g s GLY 214 Ca -0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1u1g s GLY 214 CO -0.00 -1.36 0.06 -0.29 0.00 0.00 0.00 173.10 171.51 1u1g s MET 215 N -3.27 -0.02 0.01 2.90 1.75 -1.26 -1.33 119.30 118.08 1u1g s MET 215 Ca 0.08 0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.81 1u1g s MET 215 Cb 0.01 -0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.39 1u1g s MET 215 CO -0.02 -0.20 -0.05 0.54 -0.65 0.00 0.00 175.02 174.64 1u1g s VAL 216 N 1.32 0.36 0.01 10.11 0.11 -0.81 -2.54 120.40 128.96 1u1g s VAL 216 Ca -0.06 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 58.36 1u1g s VAL 216 Cb -0.13 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1u1g s VAL 216 CO -0.04 -0.12 0.19 0.00 -3.33 0.00 0.00 175.10 171.81 1u1g s ALA 217 N -0.63 -0.45 -0.15 1.54 0.00 -0.49 -2.91 121.76 118.67 1u1g s ALA 217 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1u1g s ALA 217 Cb -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1u1g s ALA 217 CO -0.00 -0.26 -0.06 0.20 0.00 0.00 0.00 175.76 175.65 1u1g s GLY 218 N -1.53 1.68 -0.15 0.00 0.00 -1.00 -0.52 107.32 105.80 1u1g s GLY 218 Ca -0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 1u1g s GLY 218 CO 0.01 -0.12 1.24 0.14 0.00 0.00 0.00 173.10 174.37 1u1g s VAL 219 N 0.30 4.29 -0.15 1.40 1.01 -0.55 -2.44 120.40 124.26 1u1g s VAL 219 Ca -0.05 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.61 1u1g s VAL 219 Cb -0.14 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.07 1u1g s VAL 219 CO 0.03 -0.11 0.30 2.30 0.00 0.00 0.00 175.10 177.62 1u1g n ILE 220 N 5.23 0.00 -3.76 2.22 -5.35 -0.91 -1.59 119.36 115.21 1u1g n ILE 220 Ca 0.13 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 1u1g n ILE 220 Cb 0.45 0.46 -0.09 0.00 -1.74 0.00 0.00 39.64 38.72 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 -2.56 0.05 -0.16 7.28 0.11 -1.24 -4.50 120.40 119.39 1u1g s VAL 221 Ca -0.02 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1u1g s VAL 221 Cb 0.07 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1u1g s VAL 221 CO 0.45 -0.23 -0.16 0.21 -3.33 0.00 0.00 175.10 172.04 1u1g s ASN 222 N -1.17 3.58 0.43 3.54 3.84 -1.26 -1.30 114.94 122.60 1u1g s ASN 222 Ca -0.12 -0.50 0.20 0.00 0.21 0.00 0.00 52.86 52.65 1u1g s ASN 222 Cb -0.05 -1.55 0.97 0.00 -0.55 0.00 0.00 41.25 40.07 1u1g s ASN 222 CO 0.04 0.07 1.88 0.03 -2.79 0.00 0.00 177.10 176.33 1u1g h ARG 223 N 7.42 0.00 0.00 0.43 2.47 -1.34 -0.97 114.38 122.39 1u1g h ARG 223 Ca -0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1u1g h ARG 223 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1u1g h ARG 223 CO 0.58 0.28 -0.18 1.79 0.56 0.00 0.00 179.97 182.99 1u1g h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.88 -3.39 112.91 111.04 1u1g h THR 224 Ca -0.00 -0.81 -0.29 0.00 -0.55 0.00 0.00 66.41 64.77 1u1g h THR 224 Cb 0.62 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.70 1u1g h THR 224 CO 0.04 0.00 -1.93 0.00 -0.25 0.00 0.00 175.52 173.38 1u1g n GLN 225 N -2.72 0.57 -2.64 4.72 6.02 -0.94 -5.10 117.38 117.29 1u1g n GLN 225 Ca 0.04 0.25 -0.06 0.00 -0.01 0.00 0.00 57.00 57.22 1u1g n GLN 225 Cb 0.50 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 1u1g n GLN 225 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u1g n GLN 226 N -4.34 0.31 0.00 -1.09 7.27 -0.41 -5.08 117.38 114.04 1u1g n GLN 226 Ca -0.39 -1.24 0.00 0.00 0.07 0.00 0.00 57.00 55.45 1u1g n GLN 226 Cb 0.74 1.19 0.00 0.00 2.41 0.00 0.00 30.24 34.58 1u1g n GLN 226 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1u1g n GLU 227 N -0.26 0.00 -3.11 3.69 -0.58 -1.26 -4.16 120.64 114.97 1u1g n GLU 227 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 1u1g n GLU 227 Cb 0.26 -0.81 -0.05 0.00 -0.57 0.00 0.00 31.44 30.27 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 -1.84 4.98 0.00 -3.67 -4.36 -1.26 -5.00 121.20 110.04 1u1g s ILE 228 Ca 0.00 1.37 0.00 0.00 -0.26 0.00 0.00 60.65 61.76 1u1g s ILE 228 Cb 0.00 -4.00 0.00 0.00 1.25 0.00 0.00 42.46 39.71 1u1g s ILE 228 CO 0.00 0.32 0.00 -2.65 0.24 0.00 0.00 174.94 172.85 1u1g n PRO 229 N 3.33 1.74 0.00 0.37 -0.02 -1.26 -5.03 135.00 134.13 1u1g n PRO 229 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1u1g n PRO 229 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1u1g n PRO 229 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1u1g n ASN 230 N 0.00 0.46 0.00 2.55 2.85 -1.26 -5.11 115.26 114.74 1u1g n ASN 230 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1u1g n ASN 230 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1u1g n ASN 230 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u1g n ALA 231 N -3.00 2.67 -0.03 5.20 0.00 -1.26 -4.79 120.51 119.30 1u1g n ALA 231 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1u1g n ALA 231 Cb 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.42 1u1g n ALA 231 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1u1g h GLU 232 N 0.00 0.20 0.00 0.00 5.08 -2.01 -3.21 114.58 114.64 1u1g h GLU 232 Ca 0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1u1g h GLU 232 Cb 0.15 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1u1g h GLU 232 CO 0.00 0.90 -0.57 1.79 -1.00 0.00 0.00 179.01 180.13 1u1g h THR 233 N -0.43 1.29 -0.52 1.13 1.35 -2.00 -3.13 112.91 110.59 1u1g h THR 233 Ca -0.03 -2.05 -0.07 0.00 -0.55 0.00 0.00 66.41 63.71 1u1g h THR 233 Cb 0.98 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 1u1g h THR 233 CO 0.05 0.56 0.07 -0.03 -0.25 0.00 0.00 175.52 175.92 1u1g h MET 234 N 0.00 0.86 -0.54 4.72 1.85 -1.87 -2.19 114.93 117.77 1u1g h MET 234 Ca -0.01 -0.24 -0.12 0.00 -0.61 0.00 0.00 59.70 58.72 1u1g h MET 234 Cb 1.10 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.02 1u1g h MET 234 CO 0.07 0.86 -0.13 0.87 -0.40 0.00 0.00 176.91 178.18 1u1g h LYS 235 N 0.74 1.04 -0.13 0.39 1.57 -1.55 -1.90 116.57 116.73 1u1g h LYS 235 Ca 0.15 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 1u1g h LYS 235 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1u1g h LYS 235 CO 0.01 1.09 -0.47 1.96 -0.57 0.00 0.00 179.45 181.47 1u1g h GLN 236 N 0.91 0.33 -0.25 3.15 4.20 -1.53 -1.78 115.11 120.15 1u1g h GLN 236 Ca 0.14 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1u1g h GLN 236 Cb 0.71 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 1u1g h GLN 236 CO 0.05 0.74 -0.57 1.15 -0.67 0.00 0.00 178.83 179.53 1u1g h THR 237 N 0.27 1.29 -0.12 -0.54 2.02 -1.30 -1.31 112.91 113.21 1u1g h THR 237 Ca 0.02 -1.77 -0.11 0.00 0.77 0.00 0.00 66.41 65.31 1u1g h THR 237 Cb 0.93 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1u1g h THR 237 CO 0.08 0.57 -0.42 -0.33 0.37 0.00 0.00 175.52 175.78 1u1g h GLU 238 N 0.60 0.28 -0.02 6.66 5.08 -1.27 -1.16 114.58 124.74 1u1g h GLU 238 Ca 0.01 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 1u1g h GLU 238 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1u1g h GLU 238 CO 0.12 0.66 -0.70 1.03 -1.00 0.00 0.00 179.01 179.12 1u1g h SER 239 N 0.23 0.14 -0.11 1.42 0.87 -1.28 -2.84 113.55 111.98 1u1g h SER 239 Ca 0.02 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1u1g h SER 239 Cb 0.85 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1u1g h SER 239 CO 0.07 0.79 -0.17 -0.74 -0.53 0.00 0.00 176.83 176.24 1u1g h HIS 240 N 0.08 0.39 -0.09 2.24 2.76 -0.92 -3.21 115.15 116.40 1u1g h HIS 240 Ca -0.01 -0.13 -0.12 0.00 -2.20 0.00 0.00 60.37 57.90 1u1g h HIS 240 Cb 1.23 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 1u1g h HIS 240 CO 0.01 0.78 -0.48 0.00 -1.30 0.00 0.00 177.93 176.94 1u1g h ALA 241 N 0.55 1.03 -0.75 5.26 0.00 -1.29 -3.02 119.26 121.03 1u1g h ALA 241 Ca 0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1u1g h ALA 241 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1u1g h ALA 241 CO 0.04 0.64 0.25 0.28 0.00 0.00 0.00 179.25 180.46 1u1g h VAL 242 N 0.18 1.26 -0.99 0.00 2.07 -1.59 -2.77 116.25 114.41 1u1g h VAL 242 Ca 0.01 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1u1g h VAL 242 Cb 0.91 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1u1g h VAL 242 CO 0.07 0.35 0.65 0.50 0.02 0.00 0.00 177.57 179.17 1u1g h LYS 243 N 1.12 1.25 -0.45 1.57 1.63 -1.53 -2.71 116.57 117.45 1u1g h LYS 243 Ca 0.25 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.90 1u1g h LYS 243 Cb 0.28 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1u1g h LYS 243 CO -0.01 0.83 0.00 0.82 -3.45 0.00 0.00 179.45 177.64 1u1g h ILE 244 N 1.29 1.26 0.00 2.00 2.04 -1.48 -2.28 117.51 120.33 1u1g h ILE 244 Ca 0.38 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1u1g h ILE 244 Cb -0.06 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1u1g h ILE 244 CO -0.11 0.36 -0.31 1.62 0.00 0.00 0.00 178.15 179.71 1u1g h VAL 245 N 0.64 0.82 0.16 1.67 3.04 -1.28 -0.15 116.25 121.15 1u1g h VAL 245 Ca 0.13 -1.29 -0.26 0.00 -1.01 0.00 0.00 66.70 64.27 1u1g h VAL 245 Cb 0.49 1.79 0.03 0.00 -2.01 0.00 0.00 31.29 31.59 1u1g h VAL 245 CO 0.02 0.31 -1.12 0.58 -1.01 0.00 0.00 177.57 176.35 1u1g h VAL 246 N 0.00 1.37 -0.54 1.51 2.07 -1.45 -2.86 116.25 116.34 1u1g h VAL 246 Ca -0.00 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 64.96 1u1g h VAL 246 Cb 0.77 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.46 1u1g h VAL 246 CO 0.04 0.74 0.16 -0.08 0.02 0.00 0.00 177.57 178.45 1u1g h GLU 247 N 0.00 0.81 -0.16 1.57 4.57 -1.21 -2.55 114.58 117.62 1u1g h GLU 247 Ca -0.19 -0.15 -0.13 0.00 -1.18 0.00 0.00 59.36 57.71 1u1g h GLU 247 Cb 1.85 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 1u1g h GLU 247 CO 0.21 0.72 -0.46 0.00 -1.18 0.00 0.00 179.01 178.30 1u1g h ALA 248 N 1.38 0.91 -0.03 2.92 0.00 -1.11 -2.97 119.26 120.36 1u1g h ALA 248 Ca 0.18 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1u1g h ALA 248 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u1g h ALA 248 CO -0.01 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.60 1u1g h ALA 249 N 1.18 1.46 -0.61 0.00 0.00 -1.23 -2.73 119.26 117.34 1u1g h ALA 249 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1u1g h ALA 249 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1u1g h ALA 249 CO 0.08 0.40 0.15 0.00 0.00 0.00 0.00 179.25 179.88 1u1g h ARG 250 N 0.04 0.94 0.00 0.00 3.08 -1.30 -2.63 114.38 114.51 1u1g h ARG 250 Ca 0.00 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 1u1g h ARG 250 Cb 0.54 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1u1g h ARG 250 CO 0.04 0.84 -0.49 0.00 -1.07 0.00 0.00 179.97 179.29 1u1g h ARG 251 N 0.90 0.00 0.00 0.04 3.08 -1.49 -3.27 114.38 113.64 1u1g h ARG 251 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1u1g h ARG 251 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1u1g h ARG 251 CO -0.00 0.49 -0.66 1.28 -1.07 0.00 0.00 179.97 180.01 1u1g n LEU 252 N -3.43 0.60 0.00 3.04 4.77 -1.09 -5.11 117.00 115.78 1u1g n LEU 252 Ca 0.00 -0.03 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1u1g n LEU 252 Cb 0.63 -0.19 0.82 0.00 -2.33 0.00 0.00 43.42 42.35 1u1g n LEU 252 CO 0.39 0.10 1.00 0.18 -1.33 0.00 0.00 177.39 177.73