#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1g s SER 4 N 0.00 -0.27 0.05 4.39 1.04 -1.26 -4.66 113.70 112.99 1u1g s SER 4 Ca 0.00 0.45 0.23 0.00 0.48 0.00 0.00 55.95 57.10 1u1g s SER 4 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1u1g s SER 4 CO 0.00 -0.20 0.97 0.47 0.98 0.00 0.00 173.24 175.46 1u1g n ASP 5 N 2.47 0.59 -4.52 7.02 9.92 -0.71 -4.96 116.55 126.35 1u1g n ASP 5 Ca -0.15 -0.19 -0.25 0.00 -0.53 0.00 0.00 54.79 53.66 1u1g n ASP 5 Cb 0.57 0.90 -0.10 0.00 -0.64 0.00 0.00 41.12 41.84 1u1g n ASP 5 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1u1g s VAL 6 N -3.23 2.09 0.09 2.53 -7.23 -1.24 -5.05 120.40 108.36 1u1g s VAL 6 Ca 0.02 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.00 1u1g s VAL 6 Cb 0.14 -2.62 -0.25 0.00 0.56 0.00 0.00 36.38 34.21 1u1g s VAL 6 CO 0.81 -0.21 1.20 -0.26 -0.31 0.00 0.00 175.10 176.33 1u1g h PHE 7 N 2.07 0.38 0.00 2.82 0.04 -1.96 -3.40 116.94 116.89 1u1g h PHE 7 Ca -0.42 -0.27 -0.06 0.00 2.80 0.00 0.00 57.97 60.03 1u1g h PHE 7 Cb 1.25 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 1u1g h PHE 7 CO 0.75 1.19 -1.21 0.72 -0.60 0.00 0.00 178.31 179.16 1u1g n HIS 8 N -3.51 0.00 0.02 -0.55 8.25 -1.26 -4.80 115.22 113.37 1u1g n HIS 8 Ca -0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.32 1u1g n HIS 8 Cb 0.98 -0.14 0.08 0.00 1.12 0.00 0.00 29.99 32.03 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 -0.03 0.53 -2.22 2.41 3.38 -1.93 -3.46 115.31 113.99 1u1g h LEU 9 Ca -0.09 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1u1g h LEU 9 Cb 1.12 -0.15 0.06 0.00 0.09 0.00 0.00 40.66 41.77 1u1g h LEU 9 CO -0.02 0.98 -0.26 0.61 0.09 0.00 0.00 178.44 179.83 1u1g n GLY 10 N 0.23 0.20 3.10 0.83 0.00 -1.26 -4.69 105.19 103.61 1u1g n GLY 10 Ca -0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.54 2.37 0.31 0.99 1.43 -1.26 -4.81 118.68 114.17 1u1g s LEU 11 Ca 0.05 -0.75 0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1u1g s LEU 11 Cb -0.01 -0.10 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 1u1g s LEU 11 CO 0.24 -0.33 0.03 0.42 0.23 0.00 0.00 176.35 176.94 1u1g s THR 12 N -2.38 3.01 0.48 5.49 -4.23 -1.26 -1.75 115.64 115.00 1u1g s THR 12 Ca -0.01 -1.90 0.23 0.00 -1.18 0.00 0.00 61.69 58.84 1u1g s THR 12 Cb -0.03 -2.84 0.28 0.00 1.34 0.00 0.00 72.50 71.24 1u1g s THR 12 CO -0.02 -0.26 2.10 0.50 -0.54 0.00 0.00 174.62 176.39 1u1g h LYS 13 N 1.78 0.00 0.00 3.99 3.64 -1.96 -2.30 116.57 121.72 1u1g h LYS 13 Ca -0.43 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 1u1g h LYS 13 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1u1g h LYS 13 CO 0.63 0.10 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.55 1u1g h ASN 14 N 0.00 0.00 -0.09 4.20 2.35 -1.95 -3.15 115.58 116.93 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 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1u1g h ASN 14 CO 0.01 0.45 -0.06 0.44 -1.65 0.00 0.00 177.43 176.62 1u1g h ASP 15 N 0.00 0.33 0.87 5.81 3.32 -1.82 -2.98 116.42 121.95 1u1g h ASP 15 Ca -0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1u1g h ASP 15 Cb 0.85 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1u1g h ASP 15 CO 0.06 0.44 -0.59 -0.07 -1.72 0.00 0.00 179.24 177.37 1u1g h LEU 16 N 0.34 0.00 -0.97 1.55 3.38 -1.65 -3.48 115.31 114.48 1u1g h LEU 16 Ca 0.07 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.60 1u1g h LEU 16 Cb 0.33 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.13 1u1g h LEU 16 CO 0.02 0.59 -0.73 0.00 0.09 0.00 0.00 178.44 178.40 1u1g n GLN 17 N -3.56 -6.59 -0.60 1.13 6.02 -1.13 -2.63 117.38 110.01 1u1g n GLN 17 Ca -0.00 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1u1g n GLN 17 Cb 0.65 -5.66 0.00 0.00 1.02 0.00 0.00 30.24 26.25 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 -1.81 0.69 3.74 1.08 0.00 -1.26 -4.83 105.19 102.80 1u1g n GLY 18 Ca 0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.48 -0.05 4.61 0.00 -1.08 -4.93 121.76 121.79 1u1g s ALA 19 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1u1g s ALA 19 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1u1g s ALA 19 CO 0.00 -0.46 0.14 0.25 0.00 0.00 0.00 175.76 175.69 1u1g n THR 20 N 2.32 0.00 -4.85 0.00 -2.24 -1.26 -4.29 114.28 103.96 1u1g n THR 20 Ca 0.04 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 1u1g n THR 20 Cb 0.43 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.59 2.61 -0.01 3.22 0.20 -1.26 -0.25 118.68 121.59 1u1g s LEU 21 Ca 0.00 -0.31 -0.00 0.00 0.69 0.00 0.00 54.13 54.51 1u1g s LEU 21 Cb 0.01 -1.52 0.02 0.00 -0.43 0.00 0.00 46.19 44.26 1u1g s LEU 21 CO 0.03 0.31 0.02 0.00 -0.29 0.00 0.00 176.35 176.42 1u1g s ALA 22 N -0.80 0.03 -0.20 5.97 0.00 -0.33 -2.29 121.76 124.14 1u1g s ALA 22 Ca 0.13 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1u1g s ALA 22 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1u1g s ALA 22 CO 0.02 -0.06 0.37 0.42 0.00 0.00 0.00 175.76 176.51 1u1g s ILE 23 N 0.61 5.22 -0.47 0.00 1.01 -0.04 -1.21 121.20 126.32 1u1g s ILE 23 Ca -0.05 0.66 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1u1g s ILE 23 Cb -0.07 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 38.81 1u1g s ILE 23 CO -0.02 0.28 0.21 0.68 0.00 0.00 0.00 174.94 176.09 1u1g s VAL 24 N 1.17 2.43 0.76 2.92 -7.23 0.41 -1.99 120.40 118.87 1u1g s VAL 24 Ca 0.18 -3.04 -0.09 0.00 -1.81 0.00 0.00 61.98 57.22 1u1g s VAL 24 Cb -0.14 -2.72 0.08 0.00 0.56 0.00 0.00 36.38 34.16 1u1g s VAL 24 CO 0.07 -0.76 1.10 -2.16 -0.31 0.00 0.00 175.10 173.04 1u1g s PRO 25 N 0.03 1.99 -0.08 4.82 0.04 -1.24 -3.43 135.00 137.13 1u1g s PRO 25 Ca 0.16 -0.16 -0.14 0.00 0.04 0.00 0.00 61.00 60.90 1u1g s PRO 25 Cb -0.24 -2.07 -0.29 0.00 0.04 0.00 0.00 34.50 31.94 1u1g s PRO 25 CO -0.02 -1.46 0.62 0.78 0.04 0.00 0.00 177.00 176.96 1u1g h GLY 26 N -0.84 0.36 -5.12 0.56 0.00 -1.85 -1.47 103.07 94.71 1u1g h GLY 26 Ca -0.45 -0.92 -0.57 0.00 0.00 0.00 0.00 47.33 45.39 1u1g h GLY 26 CO 0.60 0.81 0.52 -0.35 0.00 0.00 0.00 176.54 178.12 1u1g s ASP 27 N -7.15 7.07 0.47 0.19 -1.08 -1.26 -2.18 116.67 112.73 1u1g s ASP 27 Ca -0.18 1.32 0.16 0.00 -0.52 0.00 0.00 52.55 53.34 1u1g s ASP 27 Cb 0.05 -2.50 1.10 0.00 -1.46 0.00 0.00 42.92 40.10 1u1g s ASP 27 CO 0.81 -0.46 2.02 -0.65 0.52 0.00 0.00 175.17 177.41 1u1g h PRO 28 N 7.28 0.00 0.00 4.34 0.11 -1.90 -2.93 132.00 138.90 1u1g h PRO 28 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1u1g h PRO 28 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1u1g h PRO 28 CO 0.87 0.15 -0.33 -0.44 -0.21 0.00 0.00 178.00 178.04 1u1g h ASP 29 N 0.00 0.00 0.12 -2.05 5.19 -1.97 -3.13 116.42 114.59 1u1g h ASP 29 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1u1g h ASP 29 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1u1g h ASP 29 CO 0.02 0.33 -0.10 0.54 -3.12 0.00 0.00 179.24 176.91 1u1g n ARG 30 N -3.46 1.21 -0.12 3.56 1.74 -1.11 -4.19 116.66 114.30 1u1g n ARG 30 Ca 0.00 -0.63 -0.11 0.00 -0.77 0.00 0.00 57.85 56.34 1u1g n ARG 30 Cb 0.50 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 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 1.55 1.27 -0.84 1.55 2.07 -1.61 -2.84 116.25 117.39 1u1g h VAL 31 Ca 0.00 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1u1g h VAL 31 Cb 0.44 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1u1g h VAL 31 CO 0.00 0.33 0.45 -0.08 0.02 0.00 0.00 177.57 178.30 1u1g h GLU 32 N 0.42 1.18 -0.78 1.57 4.81 -1.80 -2.36 114.58 117.63 1u1g h GLU 32 Ca 0.09 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1u1g h GLU 32 Cb 0.49 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1u1g h GLU 32 CO 0.02 0.88 0.33 0.87 -0.73 0.00 0.00 179.01 180.37 1u1g h LYS 33 N 1.18 1.14 -0.16 1.92 1.57 -1.76 -1.09 116.57 119.37 1u1g h LYS 33 Ca 0.29 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1u1g h LYS 33 Cb 0.05 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1u1g h LYS 33 CO -0.05 0.91 -0.26 0.82 -0.57 0.00 0.00 179.45 180.31 1u1g h ILE 34 N 1.12 1.35 0.00 1.86 2.04 -1.39 -3.25 117.51 119.25 1u1g h ILE 34 Ca 0.26 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 1u1g h ILE 34 Cb 0.18 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1u1g h ILE 34 CO -0.02 0.45 -0.22 0.00 0.00 0.00 0.00 178.15 178.35 1u1g h ALA 35 N 0.58 1.47 0.00 1.87 0.00 -1.26 -2.57 119.26 119.35 1u1g h ALA 35 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1u1g h ALA 35 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u1g h ALA 35 CO 0.06 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1u1g h ALA 36 N 1.78 1.00 0.00 0.00 0.00 -1.23 -2.68 119.26 118.13 1u1g h ALA 36 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1u1g h ALA 36 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u1g h ALA 36 CO 0.03 0.00 -0.12 -0.07 0.00 0.00 0.00 179.25 179.09 1u1g h LEU 37 N 0.00 0.00-10.33 0.00 -0.00 -1.54 -3.46 115.31 99.99 1u1g h LEU 37 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.43 1u1g h LEU 37 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1u1g h LEU 37 CO 0.00 0.12 -0.31 -0.04 -0.00 0.00 0.00 178.44 178.21 1u1g s MET 38 N -3.43 2.76 0.36 1.13 -1.94 -1.01 -5.10 119.30 112.07 1u1g s MET 38 Ca 0.03 -1.31 -0.25 0.00 -1.71 0.00 0.00 55.69 52.45 1u1g s MET 38 Cb 0.08 -2.63 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 1u1g s MET 38 CO 0.63 -0.20 1.03 -0.51 -0.01 0.00 0.00 175.02 175.96 1u1g s ASP 39 N -4.25 6.98 -0.76 3.03 1.01 -0.53 -4.44 116.67 117.71 1u1g s ASP 39 Ca 0.51 2.01 -0.01 0.00 0.71 0.00 0.00 52.55 55.77 1u1g s ASP 39 Cb -0.08 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1u1g s ASP 39 CO 0.31 -0.33 0.65 0.29 0.21 0.00 0.00 175.17 176.30 1u1g n LYS 40 N 0.26 -1.47 -3.07 8.23 5.02 -1.26 0.56 118.16 126.43 1u1g n LYS 40 Ca 0.03 1.17 -0.39 0.00 -2.02 0.00 0.00 58.31 57.10 1u1g n LYS 40 Cb 0.49 -4.07 -0.05 0.00 -0.02 0.00 0.00 35.03 31.38 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 -3.87 4.43 -0.10 1.97 0.04 -1.26 -4.14 135.00 132.06 1u1g s PRO 41 Ca 0.02 0.93 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 1u1g s PRO 41 Cb -0.00 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1u1g s PRO 41 CO 0.82 0.30 0.26 0.54 0.04 0.00 0.00 177.00 178.96 1u1g s VAL 42 N -0.04 -0.01 0.33 -0.36 0.11 -0.42 -5.01 120.40 115.00 1u1g s VAL 42 Ca 0.36 0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 59.17 1u1g s VAL 42 Cb -0.19 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1u1g s VAL 42 CO 0.20 0.01 1.06 -0.75 -3.33 0.00 0.00 175.10 172.30 1u1g s LYS 43 N 0.39 4.44 -0.03 1.54 2.20 -1.26 -1.22 119.74 125.80 1u1g s LYS 43 Ca -0.02 1.64 -0.05 0.00 -0.36 0.00 0.00 55.97 57.18 1u1g s LYS 43 Cb -0.04 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1u1g s LYS 43 CO -0.02 0.08 -0.11 1.28 -0.36 0.00 0.00 175.35 176.21 1u1g n LEU 44 N 0.63 1.07 -3.69 5.43 4.77 -0.69 -4.91 117.00 119.61 1u1g n LEU 44 Ca 0.02 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 1u1g n LEU 44 Cb 0.47 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1u1g n LEU 44 CO 0.50 -0.28 0.14 0.00 -1.33 0.00 0.00 177.39 176.42 1u1g s ALA 45 N -2.24 -1.03 -0.30 -1.18 0.00 -1.21 -5.03 121.76 110.77 1u1g s ALA 45 Ca -0.11 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 1u1g s ALA 45 Cb 0.03 0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.41 1u1g s ALA 45 CO 0.15 -0.35 0.17 0.45 0.00 0.00 0.00 175.76 176.18 1u1g s SER 46 N -1.54 3.09 -0.05 0.00 0.15 -1.26 -1.57 113.70 112.52 1u1g s SER 46 Ca -0.10 -1.28 0.02 0.00 0.70 0.00 0.00 55.95 55.29 1u1g s SER 46 Cb -0.03 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1u1g s SER 46 CO 0.03 -0.42 -0.09 -1.00 1.20 0.00 0.00 173.24 172.97 1u1g s HIS 47 N 2.04 1.11 0.00 3.44 3.76 -0.30 -5.01 115.29 120.33 1u1g s HIS 47 Ca 0.10 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1u1g s HIS 47 Cb -0.16 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1u1g s HIS 47 CO -0.32 -0.22 0.00 0.54 -0.85 0.00 0.00 174.74 173.89 1u1g n ARG 48 N 3.86 0.00 -0.15 1.40 1.74 -1.26 -0.56 116.66 121.69 1u1g n ARG 48 Ca -0.24 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1u1g n ARG 48 Cb 0.51 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.19 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 13.85 2.36 -3.62 5.56 0.00 -1.26 -4.90 120.64 132.63 1u1g n GLU 49 Ca 0.00 -2.04 -0.39 0.00 0.00 0.00 0.00 57.16 54.73 1u1g n GLU 49 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 29.84 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 -1.60 3.20 -0.13 -1.84 0.40 0.28 -4.33 117.98 113.96 1u1g s PHE 50 Ca 0.37 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1u1g s PHE 50 Cb 0.22 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1u1g s PHE 50 CO 0.31 -0.46 -0.18 0.99 0.70 0.00 0.00 175.22 176.57 1u1g s THR 51 N 1.63 1.78 -0.12 0.64 2.01 -1.26 -1.14 115.64 119.18 1u1g s THR 51 Ca 0.05 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1u1g s THR 51 Cb -0.17 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1u1g s THR 51 CO 0.07 0.49 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.45 1u1g s THR 52 N 0.98 2.79 0.01 -0.82 2.01 -0.61 -2.12 115.64 117.88 1u1g s THR 52 Ca -0.05 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.24 1u1g s THR 52 Cb -0.15 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1u1g s THR 52 CO -0.03 0.54 -0.17 0.26 -0.69 0.00 0.00 174.62 174.53 1u1g s TRP 53 N 0.27 1.48 -0.05 4.92 0.52 0.62 -1.71 118.94 124.98 1u1g s TRP 53 Ca -0.11 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.70 1u1g s TRP 53 Cb -0.16 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.21 1u1g s TRP 53 CO 0.06 0.01 -0.04 0.50 0.02 0.00 0.00 176.95 177.50 1u1g s ARG 54 N -0.69 2.77 0.32 4.98 3.52 -0.36 -0.58 118.95 128.92 1u1g s ARG 54 Ca 0.06 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1u1g s ARG 54 Cb -0.07 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1u1g s ARG 54 CO 0.00 0.66 0.36 0.00 -0.81 0.00 0.00 175.30 175.51 1u1g s ALA 55 N -0.89 1.20 -0.07 6.12 0.00 -0.43 -1.30 121.76 126.39 1u1g s ALA 55 Ca 0.14 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.41 1u1g s ALA 55 Cb -0.11 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.31 1u1g s ALA 55 CO 0.04 -0.72 -0.20 -2.00 0.00 0.00 0.00 175.76 172.88 1u1g s GLU 56 N -3.37 2.38 -0.18 0.00 2.12 0.19 -0.52 118.70 119.32 1u1g s GLU 56 Ca 0.35 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1u1g s GLU 56 Cb 0.01 -1.90 0.04 0.00 0.26 0.00 0.00 34.13 32.54 1u1g s GLU 56 CO 0.22 0.19 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.88 1u1g s LEU 57 N 0.28 1.91 -1.49 2.70 2.96 0.18 -1.45 118.68 123.78 1u1g s LEU 57 Ca -0.12 -0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 52.93 1u1g s LEU 57 Cb -0.15 -1.05 0.07 0.00 0.50 0.00 0.00 46.19 45.55 1u1g s LEU 57 CO 0.05 -0.17 0.83 0.47 -1.32 0.00 0.00 176.35 176.21 1u1g n ASP 58 N 4.79 -3.23 0.00 3.68 10.43 -1.26 -1.32 116.55 129.64 1u1g n ASP 58 Ca -0.13 -0.85 0.00 0.00 2.57 0.00 0.00 54.79 56.38 1u1g n ASP 58 Cb 0.47 -3.68 0.00 0.00 1.84 0.00 0.00 41.12 39.75 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 -1.66 0.61 3.23 0.44 0.00 -1.26 -5.02 105.19 101.52 1u1g n GLY 59 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.13 2.33 0.26 1.61 1.02 -0.44 -5.12 119.74 119.28 1u1g s LYS 60 Ca 0.00 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 1u1g s LYS 60 Cb 0.00 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 1u1g s LYS 60 CO 0.00 0.34 1.23 -1.25 -0.92 0.00 0.00 175.35 174.75 1u1g s PRO 61 N -0.10 4.47 0.02 -1.68 0.04 -1.26 0.52 135.00 137.01 1u1g s PRO 61 Ca -0.04 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1u1g s PRO 61 Cb -0.13 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1u1g s PRO 61 CO 0.03 -0.07 -0.10 0.08 0.04 0.00 0.00 177.00 176.98 1u1g s VAL 62 N -0.70 0.80 -0.09 -0.36 1.01 0.32 -4.52 120.40 116.85 1u1g s VAL 62 Ca 0.50 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1u1g s VAL 62 Cb -0.36 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1u1g s VAL 62 CO 0.44 -0.02 0.01 -0.63 0.00 0.00 0.00 175.10 174.90 1u1g s ILE 63 N -0.71 4.39 -0.14 2.22 -1.09 -0.97 -1.31 121.20 123.58 1u1g s ILE 63 Ca -0.00 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1u1g s ILE 63 Cb -0.06 -2.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 1u1g s ILE 63 CO 0.00 0.60 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.42 1u1g s VAL 64 N -0.82 1.96 -0.06 2.92 1.01 0.26 -0.86 120.40 124.81 1u1g s VAL 64 Ca 0.13 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1u1g s VAL 64 Cb -0.11 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1u1g s VAL 64 CO 0.02 0.53 0.12 0.00 0.00 0.00 0.00 175.10 175.77 1u1g s SER 66 N 1.49 7.23 -0.02 0.00 1.04 -0.90 -3.65 113.70 118.89 1u1g s SER 66 Ca -0.05 1.99 0.16 0.00 0.48 0.00 0.00 55.95 58.52 1u1g s SER 66 Cb -0.12 -2.60 -0.24 0.00 0.10 0.00 0.00 66.02 63.16 1u1g s SER 66 CO -0.05 -0.15 0.34 0.35 0.98 0.00 0.00 173.24 174.71 1u1g n THR 67 N 0.68 0.02 -0.08 2.02 -2.24 -0.55 -4.36 114.28 109.77 1u1g n THR 67 Ca 0.01 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1u1g n THR 67 Cb 0.48 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.62 -1.59 3.70 3.38 0.00 -0.92 -3.62 105.19 107.75 1u1g n GLY 68 Ca -0.03 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.50 4.86 0.00 -0.61 1.01 -1.26 -4.73 121.20 118.97 1u1g s ILE 69 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.62 1u1g s ILE 69 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1u1g s ILE 69 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1u1g n GLY 70 N 3.02 2.55 0.17 6.18 0.00 -1.26 -4.76 105.19 111.09 1u1g n GLY 70 Ca 0.06 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 0.55 -0.15 -0.02 0.00 -1.89 -2.95 103.07 98.61 1u1g h GLY 71 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.13 1u1g h GLY 71 CO 0.00 0.27 -0.27 -2.55 0.00 0.00 0.00 176.54 173.99 1u1g h PRO 72 N 0.43 -0.18 0.00 4.80 0.11 -1.96 0.15 132.00 135.36 1u1g h PRO 72 Ca 0.12 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 1u1g h PRO 72 Cb 0.15 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1u1g h PRO 72 CO -0.01 -0.12 -0.66 0.66 -0.21 0.00 0.00 178.00 177.66 1u1g h SER 73 N -0.19 0.00 -0.68 -2.05 4.64 -1.82 -2.92 113.55 110.54 1u1g h SER 73 Ca 0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1u1g h SER 73 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1u1g h SER 73 CO -0.55 0.66 0.29 0.74 -0.87 0.00 0.00 176.83 177.10 1u1g h THR 74 N 0.00 1.24 -0.27 2.95 2.02 -1.25 -2.12 112.91 115.48 1u1g h THR 74 Ca -0.01 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 1u1g h THR 74 Cb 1.29 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1u1g h THR 74 CO 0.09 0.29 -0.12 0.77 0.37 0.00 0.00 175.52 176.91 1u1g h SER 75 N 0.95 0.43 -0.10 4.18 4.64 -0.61 -1.42 113.55 121.62 1u1g h SER 75 Ca 0.23 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1u1g h SER 75 Cb 0.17 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1u1g h SER 75 CO -0.02 0.58 0.00 0.40 -0.87 0.00 0.00 176.83 176.92 1u1g h ILE 76 N 0.42 1.25 -0.34 0.95 2.04 -1.33 -2.74 117.51 117.75 1u1g h ILE 76 Ca 0.08 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1u1g h ILE 76 Cb 0.46 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1u1g h ILE 76 CO 0.03 0.23 0.12 0.00 0.00 0.00 0.00 178.15 178.52 1u1g h ALA 77 N 0.74 0.44 -0.34 1.87 0.00 -1.14 -2.41 119.26 118.43 1u1g h ALA 77 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1u1g h ALA 77 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1u1g h ALA 77 CO 0.01 0.06 -0.09 0.28 0.00 0.00 0.00 179.25 179.51 1u1g h VAL 78 N 0.39 1.28 -0.41 0.00 2.07 -1.35 -1.70 116.25 116.52 1u1g h VAL 78 Ca 0.11 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1u1g h VAL 78 Cb 0.23 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1u1g h VAL 78 CO -0.01 0.38 0.24 -0.08 0.02 0.00 0.00 177.57 178.12 1u1g h GLU 79 N 0.44 0.57 0.00 1.57 4.57 -1.49 -1.42 114.58 118.82 1u1g h GLU 79 Ca 0.08 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 1u1g h GLU 79 Cb 0.59 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1u1g h GLU 79 CO 0.04 0.45 -0.59 0.93 -1.18 0.00 0.00 179.01 178.65 1u1g h GLU 80 N 0.54 0.00 -0.10 1.92 5.08 -1.40 -2.45 114.58 118.16 1u1g h GLU 80 Ca 0.15 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 1u1g h GLU 80 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1u1g h GLU 80 CO -0.03 0.59 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.81 1u1g h LEU 81 N 0.00 0.55 -0.90 1.33 3.38 -1.17 -3.05 115.31 115.46 1u1g h LEU 81 Ca -0.01 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1u1g h LEU 81 Cb 1.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1u1g h LEU 81 CO 0.08 1.09 -0.13 0.00 0.09 0.00 0.00 178.44 179.57 1u1g h ALA 82 N 0.90 1.07 -0.06 1.53 0.00 -1.10 -1.95 119.26 119.66 1u1g h ALA 82 Ca -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1u1g h ALA 82 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1u1g h ALA 82 CO 0.13 0.57 -0.08 1.96 0.00 0.00 0.00 179.25 181.83 1u1g h GLN 83 N 0.61 0.08 0.00 0.00 4.20 -1.44 -2.44 115.11 116.12 1u1g h GLN 83 Ca 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1u1g h GLN 83 Cb 0.57 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1u1g h GLN 83 CO 0.04 0.17 -0.28 1.28 -0.67 0.00 0.00 178.83 179.36 1u1g n LEU 84 N -4.40 0.46 0.00 1.46 4.77 -0.84 -4.93 117.00 113.51 1u1g n LEU 84 Ca -0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1u1g n LEU 84 Cb 0.18 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1u1g n LEU 84 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1u1g n GLY 85 N 1.42 0.79 3.71 -0.72 0.00 -0.92 -4.82 105.19 104.66 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 -1.62 3.87 -0.02 -0.61 -1.09 -0.79 -4.55 121.20 116.39 1u1g s ILE 86 Ca 0.00 1.34 0.03 0.00 -2.23 0.00 0.00 60.65 59.79 1u1g s ILE 86 Cb 0.00 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1u1g s ILE 86 CO 0.00 0.10 0.08 0.54 -1.23 0.00 0.00 174.94 174.43 1u1g n ARG 87 N 3.98 0.65 -5.04 2.79 5.12 0.65 -4.19 116.66 120.62 1u1g n ARG 87 Ca 0.10 -0.03 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 1u1g n ARG 87 Cb 0.45 -1.04 -0.17 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.15 1.93 -0.11 0.55 2.01 -0.71 -1.72 115.64 115.44 1u1g s THR 88 Ca -0.01 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1u1g s THR 88 Cb 0.02 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1u1g s THR 88 CO 0.14 0.53 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.07 1u1g s PHE 89 N 0.47 2.12 -0.21 4.92 0.40 0.15 -1.19 117.98 124.64 1u1g s PHE 89 Ca -0.16 -0.99 0.02 0.00 -0.60 0.00 0.00 56.93 55.19 1u1g s PHE 89 Cb -0.17 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 41.89 1u1g s PHE 89 CO 0.07 -0.48 -0.16 -0.51 0.70 0.00 0.00 175.22 174.83 1u1g s LEU 90 N 0.87 2.64 -0.04 -0.37 1.43 -0.35 -1.49 118.68 121.36 1u1g s LEU 90 Ca -0.08 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 51.93 1u1g s LEU 90 Cb -0.15 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1u1g s LEU 90 CO -0.00 -0.08 0.38 -0.60 0.23 0.00 0.00 176.35 176.28 1u1g s ARG 91 N 1.22 3.95 -0.05 1.70 3.52 -0.55 -0.45 118.95 128.29 1u1g s ARG 91 Ca -0.01 0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.95 1u1g s ARG 91 Cb -0.16 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1u1g s ARG 91 CO -0.10 0.60 -0.12 -1.50 -0.81 0.00 0.00 175.30 173.37 1u1g s ILE 92 N -0.74 1.08 0.25 4.11 2.07 -1.22 -1.71 121.20 125.03 1u1g s ILE 92 Ca 0.22 -0.48 -0.06 0.00 -1.41 0.00 0.00 60.65 58.92 1u1g s ILE 92 Cb -0.16 -0.98 0.03 0.00 0.13 0.00 0.00 42.46 41.48 1u1g s ILE 92 CO 0.11 0.34 0.44 0.61 -1.91 0.00 0.00 174.94 174.53 1u1g n GLY 93 N 3.60 1.75 3.97 1.50 0.00 -1.06 -4.05 105.19 110.91 1u1g n GLY 93 Ca -0.21 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.52 4.77 0.13 2.61 -4.23 -1.26 -2.21 115.64 112.94 1u1g s THR 94 Ca 0.14 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.55 1u1g s THR 94 Cb -0.02 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1u1g s THR 94 CO 0.10 -0.29 0.45 0.28 -0.54 0.00 0.00 174.62 174.62 1u1g s THR 95 N -2.11 0.05 -0.21 3.99 -1.32 -1.05 -4.84 115.64 110.16 1u1g s THR 95 Ca 0.39 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.41 1u1g s THR 95 Cb -0.09 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1u1g s THR 95 CO 0.31 -0.24 -0.10 -0.83 -2.21 0.00 0.00 174.62 171.55 1u1g s GLY 96 N -2.78 1.54 0.34 6.08 0.00 -1.19 -2.48 107.32 108.83 1u1g s GLY 96 Ca 0.02 -1.21 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 1u1g s GLY 96 CO -0.12 0.39 0.93 0.00 0.00 0.00 0.00 173.10 174.30 1u1g s ALA 97 N 1.41 3.18 -0.55 3.20 0.00 -0.38 -1.53 121.76 127.08 1u1g s ALA 97 Ca 0.05 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1u1g s ALA 97 Cb -0.14 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.87 1u1g s ALA 97 CO -0.07 0.17 0.67 0.44 0.00 0.00 0.00 175.76 176.98 1u1g n ILE 98 N 0.28 0.06 -3.97 0.00 -5.35 -0.03 -1.11 119.36 109.24 1u1g n ILE 98 Ca 0.03 -0.53 -0.36 0.00 -0.27 0.00 0.00 62.75 61.62 1u1g n ILE 98 Cb 0.51 1.06 -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 -0.41 3.54 0.48 6.28 -1.52 -1.24 -4.81 119.66 121.99 1u1g s GLN 99 Ca 0.05 -0.23 0.16 0.00 -1.95 0.00 0.00 55.36 53.40 1u1g s GLN 99 Cb 0.04 -3.15 1.15 0.00 -0.22 0.00 0.00 33.01 30.83 1u1g s GLN 99 CO 0.06 0.62 2.07 -1.35 -0.25 0.00 0.00 175.29 176.43 1u1g h PRO 100 N 5.51 0.00 0.00 2.91 0.11 -1.96 -2.83 132.00 135.74 1u1g h PRO 100 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u1g h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1g h PRO 100 CO 0.62 0.10 0.00 1.12 -0.21 0.00 0.00 178.00 179.63 1u1g h HIS 101 N 0.00 0.00 -3.33 0.65 2.07 -2.02 -3.44 115.15 109.08 1u1g h HIS 101 Ca -0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 1u1g h HIS 101 Cb 0.18 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.07 1u1g h HIS 101 CO 0.00 0.00 0.48 0.42 -3.07 0.00 0.00 177.93 175.76 1u1g s ILE 102 N -3.24 4.79 0.30 6.12 1.01 -1.07 -5.04 121.20 124.07 1u1g s ILE 102 Ca 0.07 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.20 1u1g s ILE 102 Cb 0.05 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1u1g s ILE 102 CO 0.66 -0.17 0.47 0.20 0.00 0.00 0.00 174.94 176.10 1u1g s ASN 103 N 1.46 6.31 0.18 3.58 0.01 -1.26 -4.88 114.94 120.33 1u1g s ASN 103 Ca 0.35 0.29 -0.32 0.00 -0.71 0.00 0.00 52.86 52.48 1u1g s ASN 103 Cb -0.15 -1.96 -0.11 0.00 0.41 0.00 0.00 41.25 39.44 1u1g s ASN 103 CO 0.10 -0.20 1.72 -0.69 -1.51 0.00 0.00 177.10 176.52 1u1g s VAL 104 N -2.17 2.23 0.00 1.60 1.01 -1.26 -2.19 120.40 119.62 1u1g s VAL 104 Ca 0.37 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1u1g s VAL 104 Cb -0.09 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1u1g s VAL 104 CO 0.33 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1u1g n GLY 105 N 4.00 1.11 3.79 4.51 0.00 -0.33 -5.03 105.19 113.25 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 -1.81 4.98 -0.10 1.61 1.11 -0.93 -4.78 116.67 116.74 1u1g s ASP 106 Ca 0.00 1.77 0.00 0.00 0.18 0.00 0.00 52.55 54.50 1u1g s ASP 106 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 1u1g s ASP 106 CO 0.00 -1.72 -0.11 -0.69 1.18 0.00 0.00 175.17 173.84 1u1g s VAL 107 N -2.86 3.31 -0.10 -1.27 1.01 -0.12 -1.67 120.40 118.70 1u1g s VAL 107 Ca 0.61 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1u1g s VAL 107 Cb -0.16 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1u1g s VAL 107 CO 0.53 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.18 1u1g s LEU 108 N -0.10 2.13 -0.16 3.92 1.43 -0.27 -1.38 118.68 124.24 1u1g s LEU 108 Ca -0.01 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1u1g s LEU 108 Cb -0.14 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1u1g s LEU 108 CO 0.03 0.16 -0.04 -0.69 0.23 0.00 0.00 176.35 176.04 1u1g s VAL 109 N 0.36 3.84 -0.21 -1.59 1.01 -0.72 -1.43 120.40 121.66 1u1g s VAL 109 Ca -0.18 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1u1g s VAL 109 Cb -0.18 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1u1g s VAL 109 CO 0.08 0.49 0.40 -0.89 0.00 0.00 0.00 175.10 175.18 1u1g s THR 110 N 0.44 5.19 -0.02 3.92 2.01 -0.99 -2.36 115.64 123.83 1u1g s THR 110 Ca -0.04 0.69 -0.09 0.00 0.31 0.00 0.00 61.69 62.56 1u1g s THR 110 Cb -0.14 -3.73 -0.31 0.00 0.01 0.00 0.00 72.50 68.33 1u1g s THR 110 CO 0.03 0.23 0.77 0.71 -0.69 0.00 0.00 174.62 175.67 1u1g h THR 111 N 5.10 1.05 -2.70 -0.82 1.35 -1.61 -3.42 112.91 111.86 1u1g h THR 111 Ca -0.35 -2.62 0.06 0.00 -0.55 0.00 0.00 66.41 62.95 1u1g h THR 111 Cb 1.16 2.80 -0.11 0.00 -1.73 0.00 0.00 68.15 70.27 1u1g h THR 111 CO 0.71 0.84 0.34 0.00 -0.25 0.00 0.00 175.52 177.15 1u1g s ALA 112 N -2.59 -1.60 0.05 6.62 0.00 -1.26 -1.18 121.76 121.80 1u1g s ALA 112 Ca -0.13 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.35 1u1g s ALA 112 Cb 0.06 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1u1g s ALA 112 CO 0.87 -0.84 -0.22 -1.12 0.00 0.00 0.00 175.76 174.45 1u1g s SER 113 N -2.73 2.66 -0.01 0.00 0.01 -0.57 -2.10 113.70 110.95 1u1g s SER 113 Ca 0.06 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1u1g s SER 113 Cb -0.02 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 1u1g s SER 113 CO -0.06 0.18 1.21 -0.69 0.41 0.00 0.00 173.24 174.29 1u1g s VAL 114 N -0.83 4.15 -1.05 3.43 1.01 0.72 -4.39 120.40 123.44 1u1g s VAL 114 Ca 0.09 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.40 1u1g s VAL 114 Cb -0.09 -3.97 0.14 0.00 0.00 0.00 0.00 36.38 32.45 1u1g s VAL 114 CO 0.02 0.04 1.28 -0.13 0.00 0.00 0.00 175.10 176.31 1u1g s ARG 115 N 1.84 3.78 -0.47 2.72 0.52 -1.26 -2.00 118.95 124.07 1u1g s ARG 115 Ca 0.57 -2.00 0.03 0.00 -0.52 0.00 0.00 55.73 53.82 1u1g s ARG 115 Cb -0.27 -5.03 0.59 0.00 0.52 0.00 0.00 34.95 30.76 1u1g s ARG 115 CO 0.25 -1.83 1.85 1.28 0.02 0.00 0.00 175.30 176.87 1u1g n LEU 116 N 6.51 6.51 -4.71 2.53 4.77 -0.70 -4.97 117.00 126.95 1u1g n LEU 116 Ca 0.30 -3.84 -0.31 0.00 -0.03 0.00 0.00 56.01 52.13 1u1g n LEU 116 Cb 0.47 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 1u1g n LEU 116 CO 0.57 1.22 -0.26 1.51 -1.33 0.00 0.00 177.39 179.09 1u1g s ASP 117 N -1.69 3.97 -0.17 -1.43 -4.77 -1.23 -2.22 116.67 109.13 1u1g s ASP 117 Ca 0.57 -1.57 0.05 0.00 -3.30 0.00 0.00 52.55 48.30 1u1g s ASP 117 Cb 0.47 0.26 -0.14 0.00 -1.09 0.00 0.00 42.92 42.42 1u1g s ASP 117 CO 0.06 -0.74 -0.09 0.61 0.70 0.00 0.00 175.17 175.71 1u1g n GLY 118 N -1.16 -0.39 0.23 2.12 0.00 -1.26 -4.69 105.19 100.03 1u1g n GLY 118 Ca -0.14 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 0.22 1.55 -0.69 4.61 0.00 -1.98 -2.59 119.26 120.38 1u1g h ALA 119 Ca -0.40 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.34 1u1g h ALA 119 Cb 1.71 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1u1g h ALA 119 CO -0.04 0.33 0.46 0.66 0.00 0.00 0.00 179.25 180.66 1u1g h SER 120 N 0.12 0.70 0.62 0.00 4.64 -1.86 -1.83 113.55 115.94 1u1g h SER 120 Ca 0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1u1g h SER 120 Cb 0.40 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1u1g h SER 120 CO 0.03 0.48 0.00 -0.07 -0.87 0.00 0.00 176.83 176.39 1u1g h LEU 121 N 0.81 0.00 0.00 5.97 3.38 -1.58 -2.00 115.31 121.89 1u1g h LEU 121 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1u1g h LEU 121 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1u1g h LEU 121 CO -0.08 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.86 1u1g n HIS 122 N -2.80 0.00 -0.01 1.13 8.25 -0.69 -3.94 115.22 117.17 1u1g n HIS 122 Ca -0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1u1g n HIS 122 Cb 0.21 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.25 0.00 -3.72 4.41 3.01 -0.81 -5.09 117.46 114.02 1u1g n PHE 123 Ca 0.15 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.47 1u1g n PHE 123 Cb 0.22 -0.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.03 -1.00 0.81 4.37 0.00 -0.88 -5.03 121.76 118.01 1u1g s ALA 124 Ca -0.01 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 1u1g s ALA 124 Cb 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.07 1u1g s ALA 124 CO 0.03 -0.26 1.14 -1.25 0.00 0.00 0.00 175.76 175.42 1u1g s PRO 125 N -0.89 1.75 0.46 0.00 0.04 -1.26 -3.94 135.00 131.17 1u1g s PRO 125 Ca -0.10 1.47 0.22 0.00 0.04 0.00 0.00 61.00 62.63 1u1g s PRO 125 Cb -0.04 -1.82 1.22 0.00 0.04 0.00 0.00 34.50 33.90 1u1g s PRO 125 CO 0.04 -2.07 1.89 1.25 0.04 0.00 0.00 177.00 178.16 1u1g h LEU 126 N -1.18 0.25 -2.29 -3.56 5.85 -1.94 -0.97 115.31 111.47 1u1g h LEU 126 Ca -0.44 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 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 0.47 0.11 -0.00 1.05 -0.34 0.00 0.00 178.44 179.73 1u1g h GLU 127 N 0.25 0.00 -6.52 1.25 9.09 -2.03 -3.43 114.58 113.19 1u1g h GLU 127 Ca 0.41 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.29 1u1g h GLU 127 Cb 1.23 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.33 1u1g h GLU 127 CO -0.10 0.00 0.57 0.12 0.05 0.00 0.00 179.01 179.65 1u1g s PHE 128 N -3.93 3.42 0.11 2.06 2.19 -0.37 -5.00 117.98 116.46 1u1g s PHE 128 Ca -0.02 1.29 -0.30 0.00 0.33 0.00 0.00 56.93 58.23 1u1g s PHE 128 Cb 0.11 -3.44 -0.06 0.00 -1.31 0.00 0.00 43.02 38.31 1u1g s PHE 128 CO 0.47 -1.36 1.17 -1.25 1.83 0.00 0.00 175.22 176.09 1u1g s PRO 129 N 0.84 4.48 -1.46 10.12 0.04 -1.26 -4.94 135.00 142.82 1u1g s PRO 129 Ca 0.58 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 1u1g s PRO 129 Cb -0.31 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 30.96 1u1g s PRO 129 CO 0.30 -0.15 2.24 0.00 0.04 0.00 0.00 177.00 179.43 1u1g n ALA 130 N 3.31 5.59 -2.89 8.56 0.00 -1.26 -4.79 120.51 129.03 1u1g n ALA 130 Ca 0.07 -3.88 -0.35 0.00 0.00 0.00 0.00 53.44 49.27 1u1g n ALA 130 Cb 0.46 -3.52 -0.05 0.00 0.00 0.00 0.00 19.45 16.33 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 3.11 5.44 0.48 0.00 0.11 -1.26 -1.51 120.40 126.77 1u1g s VAL 131 Ca 0.47 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.41 1u1g s VAL 131 Cb 0.14 -3.46 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1u1g s VAL 131 CO -0.09 0.47 0.89 0.00 -3.33 0.00 0.00 175.10 173.05 1u1g s ALA 132 N -1.18 3.20 0.27 1.54 0.00 -0.32 -4.71 121.76 120.56 1u1g s ALA 132 Ca 0.21 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 1u1g s ALA 132 Cb -0.12 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1u1g s ALA 132 CO 0.11 -0.21 1.34 0.34 0.00 0.00 0.00 175.76 177.34 1u1g s ASP 133 N -3.31 6.79 0.23 0.00 2.15 -0.51 -4.95 116.67 117.07 1u1g s ASP 133 Ca 0.55 2.60 -0.06 0.00 0.43 0.00 0.00 52.55 56.07 1u1g s ASP 133 Cb -0.10 -2.63 0.22 0.00 -0.30 0.00 0.00 42.92 40.10 1u1g s ASP 133 CO 0.35 -0.56 1.75 0.15 -0.17 0.00 0.00 175.17 176.69 1u1g h PHE 134 N 4.34 1.07 -0.41 -5.34 3.04 -1.96 -1.77 116.94 115.90 1u1g h PHE 134 Ca -0.47 -0.12 -0.13 0.00 3.98 0.00 0.00 57.97 61.22 1u1g h PHE 134 Cb 1.22 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 1u1g h PHE 134 CO 0.59 0.88 -0.27 0.93 -2.02 0.00 0.00 178.31 178.42 1u1g h GLU 135 N 0.98 0.88 -0.34 1.11 5.08 -1.96 -1.62 114.58 118.72 1u1g h GLU 135 Ca 0.21 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1u1g h GLU 135 Cb 0.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1u1g h GLU 135 CO 0.00 1.04 -0.10 0.00 -1.00 0.00 0.00 179.01 178.95 1u1g h THR 137 N 0.45 1.23 -0.54 0.00 2.02 -1.30 -1.73 112.91 113.04 1u1g h THR 137 Ca 0.08 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1u1g h THR 137 Cb 0.61 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1u1g h THR 137 CO 0.04 0.28 0.32 0.74 0.37 0.00 0.00 175.52 177.27 1u1g h THR 138 N 0.86 1.17 -0.70 3.16 2.02 -1.27 -1.79 112.91 116.36 1u1g h THR 138 Ca 0.20 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1u1g h THR 138 Cb 0.20 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1u1g h THR 138 CO -0.02 0.18 0.20 0.00 0.37 0.00 0.00 175.52 176.25 1u1g h ALA 139 N 1.15 1.04 -0.33 6.16 0.00 -1.12 -1.46 119.26 124.70 1u1g h ALA 139 Ca 0.19 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1u1g h ALA 139 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1u1g h ALA 139 CO -0.03 0.64 -0.35 -0.07 0.00 0.00 0.00 179.25 179.44 1u1g h LEU 140 N 1.04 0.87 -0.35 0.00 3.38 -1.19 -1.65 115.31 117.41 1u1g h LEU 140 Ca 0.22 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1u1g h LEU 140 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1u1g h LEU 140 CO -0.00 1.17 0.12 0.58 0.09 0.00 0.00 178.44 180.40 1u1g h VAL 141 N 0.60 1.20 -0.02 1.22 2.07 -1.21 -2.04 116.25 118.06 1u1g h VAL 141 Ca 0.05 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 1u1g h VAL 141 Cb 0.93 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1u1g h VAL 141 CO 0.09 0.22 -0.50 -0.33 0.02 0.00 0.00 177.57 177.06 1u1g h GLU 142 N 0.41 0.05 -0.10 1.57 5.08 -1.28 -2.55 114.58 117.77 1u1g h GLU 142 Ca 0.11 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1u1g h GLU 142 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u1g h GLU 142 CO -0.01 0.55 -0.61 0.00 -1.00 0.00 0.00 179.01 177.94 1u1g h ALA 143 N 1.45 0.76 -0.44 3.43 0.00 -1.21 -2.26 119.26 120.99 1u1g h ALA 143 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1u1g h ALA 143 Cb 0.90 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1u1g h ALA 143 CO 0.07 0.72 -0.17 0.00 0.00 0.00 0.00 179.25 179.87 1u1g h ALA 144 N 1.08 0.85 0.00 0.00 0.00 -1.15 -2.77 119.26 117.28 1u1g h ALA 144 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1u1g h ALA 144 Cb 1.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1u1g h ALA 144 CO 0.10 0.64 -0.51 -0.22 0.00 0.00 0.00 179.25 179.26 1u1g h LYS 145 N 0.76 0.00 -0.39 0.00 3.64 -1.43 -2.14 116.57 117.01 1u1g h LYS 145 Ca 0.11 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1u1g h LYS 145 Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1u1g h LYS 145 CO 0.05 0.51 -0.05 0.77 -2.27 0.00 0.00 179.45 178.46 1u1g h SER 146 N 0.00 0.72 0.76 4.20 0.02 -1.13 -3.10 113.55 115.02 1u1g h SER 146 Ca -0.01 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1u1g h SER 146 Cb 0.91 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1u1g h SER 146 CO 0.07 0.89 -0.56 2.30 -1.14 0.00 0.00 176.83 178.39 1u1g n ILE 147 N -4.40 0.23 -1.66 3.27 -5.35 -1.09 -5.03 119.36 105.34 1u1g n ILE 147 Ca -0.01 -0.18 -0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1u1g n ILE 147 Cb 0.33 -0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 1.39 -3.10 3.10 3.28 0.00 -0.83 -5.12 105.19 103.92 1u1g n GLY 148 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 -0.21 -0.46 4.61 0.00 -1.07 -5.03 121.76 119.42 1u1g s ALA 149 Ca -0.01 -0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 1u1g s ALA 149 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1u1g s ALA 149 CO 0.11 -0.24 1.46 0.99 0.00 0.00 0.00 175.76 178.07 1u1g s THR 150 N -1.80 3.82 -0.03 0.00 2.01 -1.26 -4.84 115.64 113.54 1u1g s THR 150 Ca -0.12 0.79 0.06 0.00 0.31 0.00 0.00 61.69 62.73 1u1g s THR 150 Cb -0.06 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1u1g s THR 150 CO -0.01 -0.86 -0.19 -0.89 -0.69 0.00 0.00 174.62 171.99 1u1g s THR 151 N 5.86 2.65 -0.06 -0.82 2.01 -1.26 -0.94 115.64 123.07 1u1g s THR 151 Ca 0.60 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1u1g s THR 151 Cb -0.13 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1u1g s THR 151 CO 0.30 0.57 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.64 1u1g s HIS 152 N -0.69 1.78 -0.13 4.92 3.76 -0.48 -4.98 115.29 119.46 1u1g s HIS 152 Ca 0.11 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1u1g s HIS 152 Cb -0.10 -1.22 -0.01 0.00 1.11 0.00 0.00 32.58 32.35 1u1g s HIS 152 CO 0.00 -0.24 -0.15 0.08 -0.85 0.00 0.00 174.74 173.58 1u1g s VAL 153 N 0.26 2.81 -2.46 -0.90 1.01 -1.26 -1.76 120.40 118.10 1u1g s VAL 153 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1u1g s VAL 153 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1u1g s VAL 153 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1g n GLY 154 N 3.68 -0.63 3.84 4.51 0.00 -1.00 -5.00 105.19 110.61 1u1g n GLY 154 Ca -0.18 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.78 4.95 -0.02 1.61 1.01 -1.26 -1.46 120.40 121.45 1u1g s VAL 155 Ca 0.00 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1u1g s VAL 155 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1u1g s VAL 155 CO 0.00 0.40 -0.23 -0.89 0.00 0.00 0.00 175.10 174.37 1u1g s THR 156 N -1.28 1.85 -0.21 3.92 2.01 -0.89 -1.34 115.64 119.69 1u1g s THR 156 Ca 0.31 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.12 1u1g s THR 156 Cb -0.16 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1u1g s THR 156 CO 0.17 0.52 0.55 0.00 -0.69 0.00 0.00 174.62 175.18 1u1g s ALA 157 N -0.53 3.56 -0.32 7.40 0.00 -0.46 -0.20 121.76 131.20 1u1g s ALA 157 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1u1g s ALA 157 Cb -0.09 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 20.21 1u1g s ALA 157 CO -0.01 -0.54 0.04 0.45 0.00 0.00 0.00 175.76 175.70 1u1g s SER 158 N 1.25 4.94 0.03 0.00 0.15 -0.85 -1.96 113.70 117.26 1u1g s SER 158 Ca 0.25 -1.48 0.03 0.00 0.70 0.00 0.00 55.95 55.46 1u1g s SER 158 Cb -0.16 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1u1g s SER 158 CO 0.10 -0.32 -0.04 -0.55 1.20 0.00 0.00 173.24 173.63 1u1g s SER 159 N 1.34 4.83 0.04 5.45 0.15 -0.32 -1.72 113.70 123.47 1u1g s SER 159 Ca -0.02 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 56.74 1u1g s SER 159 Cb -0.20 -1.16 0.98 0.00 -1.71 0.00 0.00 66.02 63.93 1u1g s SER 159 CO -0.02 0.25 1.75 0.47 1.20 0.00 0.00 173.24 176.89 1u1g n ASP 160 N 1.21 0.13 -4.34 5.45 9.92 -0.94 -4.38 116.55 123.60 1u1g n ASP 160 Ca -0.14 0.52 -0.19 0.00 -0.53 0.00 0.00 54.79 54.45 1u1g n ASP 160 Cb 0.52 -0.55 -0.10 0.00 -0.64 0.00 0.00 41.12 40.35 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 -3.03 1.72 -0.02 -3.53 -4.23 -1.26 -5.02 115.64 100.27 1u1g s THR 161 Ca 0.11 -2.14 0.12 0.00 -1.18 0.00 0.00 61.69 58.60 1u1g s THR 161 Cb 0.15 -1.98 -0.22 0.00 1.34 0.00 0.00 72.50 71.79 1u1g s THR 161 CO 0.44 -0.55 0.79 0.15 -0.54 0.00 0.00 174.62 174.92 1u1g h PHE 162 N 2.72 0.00 0.00 3.99 3.57 -1.97 -3.40 116.94 121.85 1u1g h PHE 162 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1u1g h PHE 162 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1u1g h PHE 162 CO 0.71 0.97 0.00 0.66 -2.23 0.00 0.00 178.31 178.42 1u1g n TYR 163 N -3.09 0.00 -0.12 0.41 4.02 -1.26 -4.41 117.16 112.70 1u1g n TYR 163 Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.68 1u1g n TYR 163 Cb 1.02 -0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.40 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 0.86 0.00 -0.72 0.13 -1.88 0.08 132.00 130.48 1u1g h PRO 164 Ca 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.96 0.00 0.78 -0.23 0.00 0.00 178.00 179.51 1u1g h GLY 165 N 0.95 0.00 -1.74 1.56 0.00 -1.87 -1.53 103.07 100.43 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 0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 1u1g n GLN 166 N -2.53 3.10 -3.80 4.80 6.02 -0.97 -4.94 117.38 119.05 1u1g n GLN 166 Ca 0.01 -2.63 -0.25 0.00 -0.01 0.00 0.00 57.00 54.11 1u1g n GLN 166 Cb 0.24 -1.71 0.01 0.00 1.02 0.00 0.00 30.24 29.80 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 -0.00 -3.27 -3.53 -1.09 2.13 -0.58 -4.96 120.64 109.34 1u1g n GLU 167 Ca 0.19 0.49 -0.37 0.00 0.66 0.00 0.00 57.16 58.13 1u1g n GLU 167 Cb 0.77 -4.64 -0.07 0.00 0.27 0.00 0.00 31.44 27.77 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 -6.22 4.22 -0.01 5.31 0.52 -0.03 -4.99 118.95 117.75 1u1g s ARG 168 Ca 0.12 0.12 0.15 0.00 -0.52 0.00 0.00 55.73 55.60 1u1g s ARG 168 Cb -0.04 -3.41 -0.19 0.00 0.52 0.00 0.00 34.95 31.83 1u1g s ARG 168 CO 0.86 0.27 0.50 0.66 0.02 0.00 0.00 175.30 177.61 1u1g n TYR 169 N 3.45 0.00 -1.90 -0.53 4.02 -1.26 -4.48 117.16 116.46 1u1g n TYR 169 Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 1u1g n TYR 169 Cb 0.52 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 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 -1.63 4.43 -3.24 7.72 2.03 -1.26 -4.22 116.55 120.39 1u1g n ASP 170 Ca 0.00 -2.92 -0.18 0.00 0.52 0.00 0.00 54.79 52.22 1u1g n ASP 170 Cb 0.30 -1.60 -0.05 0.00 -0.72 0.00 0.00 41.12 39.05 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 4.47 0.00 -0.13 5.18 -2.24 -1.26 -5.02 114.28 115.28 1u1g n THR 171 Ca 0.49 -1.54 -0.09 0.00 -2.27 0.00 0.00 64.05 60.64 1u1g n THR 171 Cb 0.38 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.35 0.56 0.08 4.78 5.03 -1.99 -3.25 116.97 123.54 1u1g h TYR 172 Ca -0.23 -0.03 -0.28 0.00 2.58 0.00 0.00 58.73 60.77 1u1g h TYR 172 Cb 0.80 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 1u1g h TYR 172 CO 0.00 0.47 -1.44 0.66 -1.32 0.00 0.00 178.16 176.53 1u1g h SER 173 N 0.50 0.27 -0.12 -2.11 4.64 -1.97 -3.48 113.55 111.28 1u1g h SER 173 Ca 0.13 -0.37 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1u1g h SER 173 Cb 0.12 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1u1g h SER 173 CO -0.02 1.31 -0.05 0.61 -0.87 0.00 0.00 176.83 177.81 1u1g n GLY 174 N 1.59 0.55 3.34 -0.77 0.00 -1.23 -5.02 105.19 103.66 1u1g n GLY 174 Ca -0.13 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.38 1.30 -0.06 1.61 1.70 -1.26 -4.94 118.95 115.92 1u1g s ARG 175 Ca 0.00 -1.42 0.03 0.00 -0.47 0.00 0.00 55.73 53.86 1u1g s ARG 175 Cb 0.00 -1.37 0.01 0.00 -0.57 0.00 0.00 34.95 33.02 1u1g s ARG 175 CO 0.00 0.28 -0.13 0.08 -1.08 0.00 0.00 175.30 174.45 1u1g s VAL 176 N -2.04 1.17 0.47 4.99 1.01 -1.26 -4.95 120.40 119.79 1u1g s VAL 176 Ca 0.16 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1u1g s VAL 176 Cb -0.06 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 1u1g s VAL 176 CO 0.07 0.36 1.04 0.55 0.00 0.00 0.00 175.10 177.12 1u1g n VAL 177 N 3.66 2.78 -0.31 2.92 3.14 -1.26 -4.64 118.33 124.61 1u1g n VAL 177 Ca -0.22 -0.50 0.16 0.00 -2.96 0.00 0.00 64.34 60.82 1u1g n VAL 177 Cb 0.52 -1.23 0.34 0.00 -1.06 0.00 0.00 33.84 32.41 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 1.36 0.26 -0.40 1.45 2.43 -2.00 -0.50 114.38 116.97 1u1g h ARG 178 Ca -0.46 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.76 1u1g h ARG 178 Cb 1.34 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1u1g h ARG 178 CO 0.56 0.17 0.27 1.25 -1.51 0.00 0.00 179.97 180.71 1u1g h HIS 179 N 0.26 0.28 -0.02 2.20 2.76 -2.03 -2.57 115.15 116.03 1u1g h HIS 179 Ca 0.60 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 1u1g h HIS 179 Cb 1.26 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1u1g h HIS 179 CO -0.18 0.15 -0.02 1.19 -1.30 0.00 0.00 177.93 177.77 1u1g n PHE 180 N -4.47 0.00 -2.12 5.26 3.01 -0.24 -4.81 117.46 114.08 1u1g n PHE 180 Ca 0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.09 1u1g n PHE 180 Cb 0.27 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.50 4.20 -0.04 -1.08 -0.14 -0.94 -2.33 119.74 117.91 1u1g s LYS 181 Ca 0.20 2.04 0.00 0.00 -1.36 0.00 0.00 55.97 56.85 1u1g s LYS 181 Cb 0.15 -3.91 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 1u1g s LYS 181 CO 0.23 -0.80 0.00 0.41 -0.76 0.00 0.00 175.35 174.43 1u1g n GLY 182 N 3.98 0.46 0.23 -3.33 0.00 -1.26 -4.95 105.19 100.33 1u1g n GLY 182 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.54 1.61 4.64 -1.78 -3.10 113.55 115.10 1u1g h SER 183 Ca -0.01 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1u1g h SER 183 Cb 0.12 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1u1g h SER 183 CO 0.01 1.07 0.31 -0.03 -0.87 0.00 0.00 176.83 177.31 1u1g h MET 184 N 0.54 0.75 -0.79 4.77 -1.53 -1.93 -1.21 114.93 115.53 1u1g h MET 184 Ca 0.03 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1u1g h MET 184 Cb 0.99 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 31.85 1u1g h MET 184 CO 0.09 0.57 0.50 1.49 0.14 0.00 0.00 176.91 179.70 1u1g h GLU 185 N 0.73 1.06 -0.06 0.39 4.81 -1.97 -0.67 114.58 118.87 1u1g h GLU 185 Ca 0.19 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1u1g h GLU 185 Cb 0.03 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1u1g h GLU 185 CO -0.03 0.73 0.00 1.49 -0.73 0.00 0.00 179.01 180.47 1u1g h GLU 186 N 1.09 0.11 -0.94 1.92 4.57 -1.37 -2.26 114.58 117.70 1u1g h GLU 186 Ca 0.29 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1u1g h GLU 186 Cb -0.08 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 1u1g h GLU 186 CO -0.06 0.38 0.62 -1.49 -1.18 0.00 0.00 179.01 177.28 1u1g h TRP 187 N -0.17 1.17 -0.62 0.92 -0.00 -1.02 -2.33 115.95 113.89 1u1g h TRP 187 Ca 0.02 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.96 1u1g h TRP 187 Cb 0.32 -0.39 -0.04 0.00 -0.00 0.00 0.00 29.16 29.05 1u1g h TRP 187 CO 0.03 0.72 0.39 1.96 -0.00 0.00 0.00 178.44 181.53 1u1g h GLN 188 N 1.24 0.74 0.00 0.49 4.20 -1.06 -1.91 115.11 118.82 1u1g h GLN 188 Ca 0.35 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.96 1u1g h GLN 188 Cb -0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1u1g h GLN 188 CO -0.09 0.49 -0.27 0.00 -0.67 0.00 0.00 178.83 178.29 1u1g h ALA 189 N 1.27 1.23 -0.01 3.87 0.00 -1.08 -2.66 119.26 121.88 1u1g h ALA 189 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1g h ALA 189 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u1g h ALA 189 CO -0.10 0.34 -0.04 -1.33 0.00 0.00 0.00 179.25 178.12 1u1g n MET 190 N -3.75 1.17 -0.61 0.00 2.81 -0.89 -4.93 117.12 110.93 1u1g n MET 190 Ca -0.01 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.41 1u1g n MET 190 Cb 0.37 -1.49 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 1.16 0.67 3.73 3.03 0.00 -1.00 -5.04 105.19 107.75 1u1g n GLY 191 Ca 0.19 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.87 -0.02 1.61 1.01 -0.77 -4.65 120.40 118.46 1u1g s VAL 192 Ca 0.00 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 1u1g s VAL 192 Cb 0.00 -3.44 -0.33 0.00 0.00 0.00 0.00 36.38 32.61 1u1g s VAL 192 CO 0.00 0.09 0.94 0.24 0.00 0.00 0.00 175.10 176.37 1u1g h MET 193 N 5.65 0.39 -2.85 2.72 0.00 -1.54 -3.42 114.93 115.88 1u1g h MET 193 Ca -0.45 -0.65 0.09 0.00 0.00 0.00 0.00 59.70 58.69 1u1g h MET 193 Cb 1.21 0.24 -0.05 0.00 0.00 0.00 0.00 31.60 33.00 1u1g h MET 193 CO 0.81 1.31 0.29 0.54 0.00 0.00 0.00 176.91 179.86 1u1g s ASN 194 N -7.18 -0.22 -0.10 1.22 4.22 -1.26 -0.85 114.94 110.78 1u1g s ASN 194 Ca -0.12 -0.61 0.01 0.00 -2.14 0.00 0.00 52.86 50.00 1u1g s ASN 194 Cb 0.02 0.69 -0.02 0.00 1.28 0.00 0.00 41.25 43.21 1u1g s ASN 194 CO 0.87 -1.28 -0.12 -0.31 -2.04 0.00 0.00 177.10 174.23 1u1g s TYR 195 N -3.63 2.81 0.06 1.54 4.12 -0.59 -1.35 117.35 120.31 1u1g s TYR 195 Ca 0.12 -0.35 -0.00 0.00 0.02 0.00 0.00 57.07 56.86 1u1g s TYR 195 Cb -0.05 -1.76 0.00 0.00 -1.52 0.00 0.00 41.96 38.63 1u1g s TYR 195 CO 0.06 0.02 0.08 -0.85 0.02 0.00 0.00 175.55 174.88 1u1g n GLU 196 N 2.92 0.11 0.00 -0.62 -0.00 -0.83 -3.17 120.64 119.05 1u1g n GLU 196 Ca -0.18 -0.46 0.00 0.00 -0.00 0.00 0.00 57.16 56.52 1u1g n GLU 196 Cb 0.53 0.44 0.00 0.00 -0.00 0.00 0.00 31.44 32.40 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 -0.09 0.89 0.00 3.44 2.81 -1.26 -1.18 117.12 121.72 1u1g n MET 197 Ca 0.00 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 55.06 1u1g n MET 197 Cb 0.09 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 -0.20 4.05 -0.04 0.03 4.71 -1.26 -3.86 120.64 124.07 1u1g n GLU 198 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1u1g n GLU 198 Cb 0.22 -0.54 0.19 0.00 -1.01 0.00 0.00 31.44 30.29 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 0.62 -0.49 1.62 4.64 -1.94 -2.53 113.55 115.47 1u1g h SER 199 Ca 0.00 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 1u1g h SER 199 Cb 0.00 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1u1g h SER 199 CO 0.00 0.77 0.23 0.00 -0.87 0.00 0.00 176.83 176.96 1u1g h ALA 200 N 1.30 0.63 0.14 5.18 0.00 -1.88 0.08 119.26 124.71 1u1g h ALA 200 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1u1g h ALA 200 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u1g h ALA 200 CO 0.03 0.19 -0.07 1.15 0.00 0.00 0.00 179.25 180.56 1u1g h THR 201 N 0.64 0.94 0.07 0.00 2.02 -1.90 -2.47 112.91 112.21 1u1g h THR 201 Ca 0.17 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1u1g h THR 201 Cb 0.12 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1u1g h THR 201 CO -0.02 0.08 -0.06 0.25 0.37 0.00 0.00 175.52 176.14 1u1g h LEU 202 N -0.35 -0.16 -0.50 2.58 5.85 -1.34 -1.82 115.31 119.57 1u1g h LEU 202 Ca -0.02 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1u1g h LEU 202 Cb 0.28 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1u1g h LEU 202 CO 0.03 -0.10 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.65 1u1g h LEU 203 N -0.14 0.92 -0.05 2.25 3.38 -1.06 -2.22 115.31 118.39 1u1g h LEU 203 Ca 0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1u1g h LEU 203 Cb 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1u1g h LEU 203 CO -0.01 1.16 0.01 0.74 0.09 0.00 0.00 178.44 180.42 1u1g h THR 204 N 0.74 1.21 -0.07 0.22 2.02 -1.43 -1.57 112.91 114.03 1u1g h THR 204 Ca 0.08 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 1u1g h THR 204 Cb 0.88 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1u1g h THR 204 CO 0.08 0.17 -0.25 0.00 0.37 0.00 0.00 175.52 175.89 1u1g h MET 205 N -0.17 0.12 0.15 6.66 -0.00 -1.33 -2.36 114.93 118.01 1u1g h MET 205 Ca 0.01 -0.04 -0.22 0.00 -0.00 0.00 0.00 59.70 59.45 1u1g h MET 205 Cb 0.27 -0.01 0.03 0.00 -0.00 0.00 0.00 31.60 31.88 1u1g h MET 205 CO 0.00 0.37 -0.97 0.00 -0.00 0.00 0.00 176.91 176.31 1u1g h ALA 207 N 0.14 1.20 -0.26 0.00 0.00 -1.22 -0.41 119.26 118.71 1u1g h ALA 207 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1u1g h ALA 207 Cb 1.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1u1g h ALA 207 CO 0.18 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 1u1g n SER 208 N -3.70 2.70 0.00 0.00 3.41 -0.89 -4.22 113.62 110.92 1u1g n SER 208 Ca -0.01 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1u1g n SER 208 Cb 0.37 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.01 0.74 -1.96 4.33 6.02 -1.08 -5.03 117.38 121.42 1u1g n GLN 209 Ca 0.18 -0.70 -0.02 0.00 -0.01 0.00 0.00 57.00 56.45 1u1g n GLN 209 Cb 0.50 -0.70 -0.00 0.00 1.02 0.00 0.00 30.24 31.06 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 -0.14 0.31 3.54 1.08 0.00 -1.00 -5.05 105.19 103.93 1u1g n GLY 210 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.50 2.91 -0.08 0.99 1.43 -0.20 -5.06 118.68 118.17 1u1g s LEU 211 Ca 0.00 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1u1g s LEU 211 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1u1g s LEU 211 CO 0.00 0.23 0.56 -0.13 0.23 0.00 0.00 176.35 177.24 1u1g s ARG 212 N -1.77 4.35 0.01 1.70 0.52 -0.70 -4.04 118.95 119.02 1u1g s ARG 212 Ca 0.18 0.62 0.01 0.00 -0.52 0.00 0.00 55.73 56.02 1u1g s ARG 212 Cb -0.11 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1u1g s ARG 212 CO 0.09 0.18 -0.04 0.00 0.02 0.00 0.00 175.30 175.55 1u1g s ALA 213 N 0.49 0.32 0.09 2.13 0.00 -1.26 -0.68 121.76 122.85 1u1g s ALA 213 Ca 0.30 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1u1g s ALA 213 Cb -0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1u1g s ALA 213 CO 0.14 0.00 -0.05 0.20 0.00 0.00 0.00 175.76 176.05 1u1g s GLY 214 N -0.70 0.70 -0.03 0.00 0.00 -0.55 -1.42 107.32 105.32 1u1g s GLY 214 Ca -0.05 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 1u1g s GLY 214 CO -0.00 -1.42 0.05 -0.29 0.00 0.00 0.00 173.10 171.44 1u1g s MET 215 N -3.86 -0.05 0.01 2.90 1.75 -1.26 -1.48 119.30 117.30 1u1g s MET 215 Ca 0.11 0.28 0.02 0.00 -1.25 0.00 0.00 55.69 54.85 1u1g s MET 215 Cb 0.06 -0.36 -0.01 0.00 2.84 0.00 0.00 34.83 37.36 1u1g s MET 215 CO -0.06 -0.24 -0.07 0.54 -0.65 0.00 0.00 175.02 174.54 1u1g s VAL 216 N 1.56 0.53 0.03 10.11 0.11 -0.69 -2.34 120.40 129.70 1u1g s VAL 216 Ca -0.03 -0.47 -0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1u1g s VAL 216 Cb -0.13 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1u1g s VAL 216 CO -0.03 0.02 0.12 0.00 -3.33 0.00 0.00 175.10 171.88 1u1g s ALA 217 N -0.44 -0.17 -0.14 1.54 0.00 -0.52 -2.56 121.76 119.48 1u1g s ALA 217 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1u1g s ALA 217 Cb -0.04 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1u1g s ALA 217 CO -0.00 -0.29 -0.09 0.20 0.00 0.00 0.00 175.76 175.58 1u1g s GLY 218 N -1.89 1.62 -0.15 0.00 0.00 -0.94 -1.12 107.32 104.83 1u1g s GLY 218 Ca -0.08 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 1u1g s GLY 218 CO -0.03 -0.11 1.22 0.14 0.00 0.00 0.00 173.10 174.32 1u1g s VAL 219 N 0.40 4.34 -0.02 1.40 1.01 -0.67 -2.53 120.40 124.33 1u1g s VAL 219 Ca -0.07 1.63 0.11 0.00 0.00 0.00 0.00 61.98 63.64 1u1g s VAL 219 Cb -0.15 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 32.01 1u1g s VAL 219 CO 0.04 -0.12 0.24 2.30 0.00 0.00 0.00 175.10 177.56 1u1g n ILE 220 N 5.22 0.00 -3.79 2.22 -5.35 -1.04 -1.18 119.36 115.45 1u1g n ILE 220 Ca 0.13 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 1u1g n ILE 220 Cb 0.45 0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 38.53 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 -2.74 0.07 -0.16 7.28 0.11 -1.24 -4.84 120.40 118.87 1u1g s VAL 221 Ca -0.04 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1u1g s VAL 221 Cb 0.07 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1u1g s VAL 221 CO 0.45 -0.32 -0.16 0.21 -3.33 0.00 0.00 175.10 171.95 1u1g s ASN 222 N -1.53 3.61 0.45 3.54 3.84 -1.26 -1.25 114.94 122.33 1u1g s ASN 222 Ca -0.12 -0.49 0.22 0.00 0.21 0.00 0.00 52.86 52.69 1u1g s ASN 222 Cb -0.05 -1.56 1.04 0.00 -0.55 0.00 0.00 41.25 40.14 1u1g s ASN 222 CO 0.02 0.07 1.90 0.03 -2.79 0.00 0.00 177.10 176.33 1u1g h ARG 223 N 7.41 0.00 0.00 0.43 2.47 -1.46 -2.69 114.38 120.54 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 0.24 -0.01 1.79 0.56 0.00 0.00 179.97 183.12 1u1g h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.87 -3.51 112.91 110.91 1u1g h THR 224 Ca -0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1u1g h THR 224 Cb 0.60 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1u1g h THR 224 CO 0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1u1g n GLN 225 N -2.31 0.00 0.00 4.72 6.02 -1.02 -5.11 117.38 119.68 1u1g n GLN 225 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1u1g n GLN 225 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 1u1g n GLN 225 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1u1g n ASN 230 N 0.00 0.00 0.02 1.08 5.15 -1.26 -5.08 115.26 115.17 1u1g n ASN 230 Ca 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.77 1u1g n ASN 230 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1u1g n ASN 230 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u1g h ALA 231 N 0.00 0.09 -0.05 5.20 0.00 -2.01 -3.33 119.26 119.16 1u1g h ALA 231 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 54.91 53.85 1u1g h ALA 231 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u1g h ALA 231 CO 0.00 0.66 -0.47 0.93 0.00 0.00 0.00 179.25 180.37 1u1g h GLU 232 N -0.36 0.11 0.00 0.00 5.08 -2.05 -2.90 114.58 114.46 1u1g h GLU 232 Ca -0.25 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1u1g h GLU 232 Cb 1.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1u1g h GLU 232 CO 0.08 0.56 -0.38 1.15 -1.00 0.00 0.00 179.01 179.42 1u1g h THR 233 N 0.09 1.20 -0.07 1.13 2.02 -2.01 -2.85 112.91 112.41 1u1g h THR 233 Ca 0.00 -1.34 -0.11 0.00 0.77 0.00 0.00 66.41 65.74 1u1g h THR 233 Cb 0.86 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1u1g h THR 233 CO 0.07 0.37 -0.45 0.24 0.37 0.00 0.00 175.52 176.11 1u1g h MET 234 N 0.00 0.17 -0.12 6.66 2.86 -1.62 -2.10 114.93 120.78 1u1g h MET 234 Ca -0.00 -0.09 -0.22 0.00 -2.06 0.00 0.00 59.70 57.33 1u1g h MET 234 Cb 0.70 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.37 1u1g h MET 234 CO 0.05 0.59 -0.79 0.87 1.06 0.00 0.00 176.91 178.69 1u1g h LYS 235 N 0.14 0.68 -0.17 1.72 1.57 -1.53 -2.70 116.57 116.27 1u1g h LYS 235 Ca 0.01 -0.57 -0.14 0.00 -1.87 0.00 0.00 60.65 58.08 1u1g h LYS 235 Cb 0.86 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1u1g h LYS 235 CO 0.07 1.18 -0.48 1.96 -0.57 0.00 0.00 179.45 181.61 1u1g h GLN 236 N 0.45 0.44 -0.24 3.15 4.20 -1.46 -2.64 115.11 119.02 1u1g h GLN 236 Ca -0.05 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 1u1g h GLN 236 Cb 1.41 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 1u1g h GLN 236 CO 0.15 0.83 -0.40 1.15 -0.67 0.00 0.00 178.83 179.90 1u1g h THR 237 N 0.36 1.30 -0.40 -0.54 2.02 -1.41 -2.10 112.91 112.13 1u1g h THR 237 Ca 0.02 -1.55 -0.07 0.00 0.77 0.00 0.00 66.41 65.57 1u1g h THR 237 Cb 0.97 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1u1g h THR 237 CO 0.08 0.49 -0.03 -0.08 0.37 0.00 0.00 175.52 176.35 1u1g h GLU 238 N 0.46 0.73 -0.26 6.66 4.81 -1.41 -2.10 114.58 123.48 1u1g h GLU 238 Ca 0.04 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1u1g h GLU 238 Cb 0.89 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1u1g h GLU 238 CO 0.08 0.84 -0.14 0.77 -0.73 0.00 0.00 179.01 179.82 1u1g h SER 239 N 0.56 0.44 -0.26 1.04 0.02 -1.42 -0.76 113.55 113.16 1u1g h SER 239 Ca 0.11 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1u1g h SER 239 Cb 0.53 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1u1g h SER 239 CO 0.03 0.61 -0.05 -0.74 -1.14 0.00 0.00 176.83 175.53 1u1g h HIS 240 N 0.42 0.55 -0.25 3.45 2.76 -1.27 -2.77 115.15 118.04 1u1g h HIS 240 Ca 0.08 -0.12 -0.18 0.00 -2.20 0.00 0.00 60.37 57.95 1u1g h HIS 240 Cb 0.50 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1u1g h HIS 240 CO 0.01 0.70 -0.57 0.00 -1.30 0.00 0.00 177.93 176.78 1u1g h ALA 241 N 0.77 0.53 -0.74 5.26 0.00 -1.23 -3.14 119.26 120.72 1u1g h ALA 241 Ca 0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1u1g h ALA 241 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1u1g h ALA 241 CO 0.02 0.69 0.34 0.28 0.00 0.00 0.00 179.25 180.58 1u1g h VAL 242 N 0.59 1.24 -0.05 0.00 2.07 -1.18 -2.07 116.25 116.85 1u1g h VAL 242 Ca 0.01 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1u1g h VAL 242 Cb 1.16 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1u1g h VAL 242 CO 0.12 0.29 -0.20 0.11 0.02 0.00 0.00 177.57 177.91 1u1g h LYS 243 N 1.05 0.08 -0.07 1.57 1.57 -1.49 -2.59 116.57 116.69 1u1g h LYS 243 Ca 0.25 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1u1g h LYS 243 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1u1g h LYS 243 CO -0.03 0.29 -0.31 0.82 -0.57 0.00 0.00 179.45 179.64 1u1g h ILE 244 N 0.08 1.42 0.00 1.86 2.04 -1.35 -2.62 117.51 118.95 1u1g h ILE 244 Ca 0.01 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.11 1u1g h ILE 244 Cb 0.40 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1u1g h ILE 244 CO 0.03 0.49 -0.29 1.62 0.00 0.00 0.00 178.15 180.00 1u1g h VAL 245 N -0.14 1.02 0.01 1.67 3.04 -1.31 0.48 116.25 121.01 1u1g h VAL 245 Ca -0.02 -1.04 -0.18 0.00 -1.01 0.00 0.00 66.70 64.45 1u1g h VAL 245 Cb 0.95 1.59 0.01 0.00 -2.01 0.00 0.00 31.29 31.84 1u1g h VAL 245 CO 0.07 0.28 -0.70 0.58 -1.01 0.00 0.00 177.57 176.78 1u1g h VAL 246 N 0.00 1.40 -0.40 1.51 2.07 -1.54 -2.47 116.25 116.82 1u1g h VAL 246 Ca -0.00 -2.13 -0.05 0.00 0.82 0.00 0.00 66.70 65.34 1u1g h VAL 246 Cb 0.57 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 1u1g h VAL 246 CO 0.04 0.63 0.04 -0.08 0.02 0.00 0.00 177.57 178.22 1u1g h GLU 247 N -0.01 0.61 -0.26 1.57 4.57 -1.16 -2.28 114.58 117.63 1u1g h GLU 247 Ca -0.09 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 57.81 1u1g h GLU 247 Cb 1.41 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1u1g h GLU 247 CO 0.14 0.60 -0.46 0.00 -1.18 0.00 0.00 179.01 178.11 1u1g h ALA 248 N 1.46 0.71 -0.21 2.92 0.00 -0.97 -3.02 119.26 120.15 1u1g h ALA 248 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1u1g h ALA 248 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u1g h ALA 248 CO 0.01 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.92 1u1g h ALA 249 N 0.95 1.61 -0.70 0.00 0.00 -1.07 -2.43 119.26 117.63 1u1g h ALA 249 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1u1g h ALA 249 Cb 1.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1u1g h ALA 249 CO 0.09 0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.92 1u1g h ARG 250 N 0.30 1.02 0.00 0.00 3.08 -1.29 -2.81 114.38 114.68 1u1g h ARG 250 Ca 0.07 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1u1g h ARG 250 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1u1g h ARG 250 CO 0.01 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 1u1g h ARG 251 N 1.00 0.00 0.00 0.04 3.08 -1.43 -3.27 114.38 113.81 1u1g h ARG 251 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1u1g h ARG 251 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1u1g h ARG 251 CO -0.02 0.00 -0.83 1.28 -1.07 0.00 0.00 179.97 179.33 1u1g n LEU 252 N -3.00 0.78 0.00 3.04 4.77 -1.06 -5.09 117.00 116.44 1u1g n LEU 252 Ca 0.04 -0.28 0.15 0.00 -0.03 0.00 0.00 56.01 55.89 1u1g n LEU 252 Cb 0.48 -0.10 0.90 0.00 -2.33 0.00 0.00 43.42 42.37 1u1g n LEU 252 CO 0.32 0.19 1.06 0.18 -1.33 0.00 0.00 177.39 177.81