#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1d n ASP 5 N 0.00 0.60 -4.45 -3.46 10.43 0.22 -4.94 116.55 114.96 1u1d n ASP 5 Ca 0.00 -0.04 -0.22 0.00 2.57 0.00 0.00 54.79 57.10 1u1d n ASP 5 Cb 0.00 0.25 -0.11 0.00 1.84 0.00 0.00 41.12 43.11 1u1d n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1d s VAL 6 N -3.11 1.43 0.16 2.53 -7.23 -1.24 -5.06 120.40 107.89 1u1d s VAL 6 Ca 0.08 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1u1d s VAL 6 Cb 0.15 -2.65 -0.16 0.00 0.56 0.00 0.00 36.38 34.28 1u1d s VAL 6 CO 0.72 -0.14 1.36 -0.26 -0.31 0.00 0.00 175.10 176.46 1u1d h PHE 7 N 2.17 0.20 0.00 2.82 0.05 -1.95 -3.41 116.94 116.82 1u1d h PHE 7 Ca -0.41 -0.12 0.00 0.00 3.82 0.00 0.00 57.97 61.27 1u1d h PHE 7 Cb 1.24 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 39.17 1u1d h PHE 7 CO 0.63 0.97 -0.95 0.72 -0.18 0.00 0.00 178.31 179.50 1u1d n HIS 8 N -3.58 0.00 0.19 -0.55 8.25 -1.26 -4.83 115.22 113.45 1u1d n HIS 8 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 1u1d n HIS 8 Cb 0.84 0.00 0.24 0.00 1.12 0.00 0.00 29.99 32.19 1u1d n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1d h LEU 9 N 0.00 0.00 -0.04 2.41 3.38 -1.92 -3.44 115.31 115.70 1u1d h LEU 9 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1u1d h LEU 9 Cb 0.95 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.74 1u1d h LEU 9 CO 0.00 0.27 -0.30 0.61 0.09 0.00 0.00 178.44 179.11 1u1d n GLY 10 N 0.76 0.13 3.25 0.83 0.00 -1.26 -4.68 105.19 104.22 1u1d n GLY 10 Ca 0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1u1d n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 11 N -3.61 2.28 0.31 0.99 1.43 -1.26 -4.82 118.68 114.00 1u1d s LEU 11 Ca 0.18 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1u1d s LEU 11 Cb -0.08 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1u1d s LEU 11 CO 0.22 0.03 0.18 0.42 0.23 0.00 0.00 176.35 177.43 1u1d s THR 12 N -1.15 3.57 0.28 5.49 -4.23 -1.26 -0.61 115.64 117.72 1u1d s THR 12 Ca 0.04 -1.57 -0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1u1d s THR 12 Cb -0.10 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1u1d s THR 12 CO 0.04 -0.25 1.86 0.11 -0.54 0.00 0.00 174.62 175.83 1u1d h LYS 13 N 1.50 1.04 -0.50 3.99 1.57 -1.96 -2.05 116.57 120.15 1u1d h LYS 13 Ca -0.45 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1u1d h LYS 13 Cb 1.25 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1u1d h LYS 13 CO 0.61 0.69 0.29 -0.97 -0.57 0.00 0.00 179.45 179.50 1u1d h ASN 14 N 1.07 0.59 -0.58 0.86 -0.73 -1.96 -2.54 115.58 112.29 1u1d h ASN 14 Ca 0.47 -0.03 0.12 0.00 1.87 0.00 0.00 56.30 58.73 1u1d h ASN 14 Cb 0.36 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1u1d h ASN 14 CO -0.23 0.47 0.40 0.44 -0.37 0.00 0.00 177.43 178.14 1u1d h ASP 15 N 0.68 0.25 1.73 1.15 3.45 -1.77 -2.19 116.42 119.73 1u1d h ASP 15 Ca 0.18 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 1u1d h ASP 15 Cb -0.01 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1u1d h ASP 15 CO -0.03 0.14 -0.27 -0.07 -1.57 0.00 0.00 179.24 177.44 1u1d h LEU 16 N 0.28 0.00 1.19 1.55 4.07 -1.52 -3.48 115.31 117.39 1u1d h LEU 16 Ca 0.28 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.86 1u1d h LEU 16 Cb 0.71 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 1u1d h LEU 16 CO -0.06 0.21 -0.55 0.00 -1.08 0.00 0.00 178.44 176.96 1u1d n GLN 17 N -3.13 -3.79 -0.45 1.13 6.02 -0.82 -1.93 117.38 114.41 1u1d n GLN 17 Ca 0.03 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1u1d n GLN 17 Cb 0.62 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.40 1u1d n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 18 N -1.27 0.78 3.77 1.08 0.00 -1.26 -4.82 105.19 103.47 1u1d n GLY 18 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1u1d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 19 N -2.03 3.57 0.00 4.61 0.00 -0.81 -4.92 121.76 122.18 1u1d s ALA 19 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1u1d s ALA 19 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1u1d s ALA 19 CO 0.00 -0.85 0.32 0.25 0.00 0.00 0.00 175.76 175.47 1u1d n THR 20 N 1.06 0.00 -5.07 0.00 -2.24 -1.26 -4.24 114.28 102.54 1u1d n THR 20 Ca 0.02 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 1u1d n THR 20 Cb 0.40 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 1u1d n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1d s LEU 21 N -0.42 2.00 -0.02 3.22 0.20 -1.26 -0.01 118.68 122.39 1u1d s LEU 21 Ca 0.00 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.42 1u1d s LEU 21 Cb 0.00 -1.19 -0.01 0.00 -0.43 0.00 0.00 46.19 44.57 1u1d s LEU 21 CO 0.00 0.21 -0.14 0.00 -0.29 0.00 0.00 176.35 176.13 1u1d s ALA 22 N -0.09 1.19 -0.20 5.97 0.00 -0.25 -1.56 121.76 126.80 1u1d s ALA 22 Ca -0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 1u1d s ALA 22 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1u1d s ALA 22 CO 0.03 0.25 0.33 0.42 0.00 0.00 0.00 175.76 176.79 1u1d s ILE 23 N -0.12 5.25 -0.59 0.00 1.01 0.43 -1.07 121.20 126.11 1u1d s ILE 23 Ca 0.01 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.28 1u1d s ILE 23 Cb -0.08 -3.67 0.15 0.00 0.01 0.00 0.00 42.46 38.87 1u1d s ILE 23 CO 0.00 0.29 0.37 0.68 0.00 0.00 0.00 174.94 176.28 1u1d s VAL 24 N 1.14 2.51 0.76 2.92 -7.23 0.54 -1.54 120.40 119.50 1u1d s VAL 24 Ca 0.16 -3.65 -0.11 0.00 -1.81 0.00 0.00 61.98 56.57 1u1d s VAL 24 Cb -0.14 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.15 1u1d s VAL 24 CO 0.07 -0.92 1.09 -2.16 -0.31 0.00 0.00 175.10 172.86 1u1d s PRO 25 N -0.74 2.43 0.05 4.82 0.04 -1.24 -3.82 135.00 136.54 1u1d s PRO 25 Ca 0.21 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 61.85 1u1d s PRO 25 Cb -0.15 -1.95 -0.31 0.00 0.04 0.00 0.00 34.50 32.13 1u1d s PRO 25 CO -0.08 -1.39 1.06 0.78 0.04 0.00 0.00 177.00 177.41 1u1d h GLY 26 N -0.92 0.41 -6.27 0.56 0.00 -1.83 -0.58 103.07 94.44 1u1d h GLY 26 Ca -0.46 -1.05 -0.61 0.00 0.00 0.00 0.00 47.33 45.22 1u1d h GLY 26 CO 0.60 0.92 0.26 -0.35 0.00 0.00 0.00 176.54 177.96 1u1d s ASP 27 N -7.27 6.65 0.56 0.19 -1.08 -1.26 -1.54 116.67 112.92 1u1d s ASP 27 Ca -0.06 0.78 0.26 0.00 -0.52 0.00 0.00 52.55 53.01 1u1d s ASP 27 Cb 0.06 -2.37 1.52 0.00 -1.46 0.00 0.00 42.92 40.67 1u1d s ASP 27 CO 0.90 -0.43 2.05 1.55 0.52 0.00 0.00 175.17 179.76 1u1d h PRO 28 N 7.86 0.00 0.00 4.34 0.13 -1.88 -1.39 132.00 141.07 1u1d h PRO 28 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1u1d h PRO 28 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1u1d h PRO 28 CO 0.81 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.14 1u1d h ASP 29 N 0.00 0.00 1.75 1.44 3.32 -1.96 -3.13 116.42 117.84 1u1d h ASP 29 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1u1d h ASP 29 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1u1d h ASP 29 CO -0.00 0.00 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.35 1u1d h ARG 30 N 0.00 0.00 -0.17 3.56 2.43 -1.66 -3.37 114.38 115.17 1u1d h ARG 30 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1u1d h ARG 30 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1u1d h ARG 30 CO 0.00 0.00 0.09 0.28 -1.51 0.00 0.00 179.97 178.83 1u1d h VAL 31 N 0.00 1.00 -0.78 0.20 2.07 -1.62 -1.78 116.25 115.35 1u1d h VAL 31 Ca 0.00 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1u1d h VAL 31 Cb 0.92 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1u1d h VAL 31 CO 0.00 0.03 0.37 -0.08 0.02 0.00 0.00 177.57 177.92 1u1d h GLU 32 N 0.19 1.11 -0.77 1.57 4.81 -1.79 -1.77 114.58 117.93 1u1d h GLU 32 Ca 0.07 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1u1d h GLU 32 Cb 0.01 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1u1d h GLU 32 CO -0.04 0.86 0.42 0.87 -0.73 0.00 0.00 179.01 180.39 1u1d h LYS 33 N 1.11 1.07 -0.10 1.92 1.57 -1.62 -1.06 116.57 119.46 1u1d h LYS 33 Ca 0.27 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1u1d h LYS 33 Cb 0.11 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1u1d h LYS 33 CO -0.03 0.80 -0.31 0.82 -0.57 0.00 0.00 179.45 180.15 1u1d h ILE 34 N 1.06 1.39 -0.44 1.86 2.04 -1.18 -3.24 117.51 119.00 1u1d h ILE 34 Ca 0.27 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 1u1d h ILE 34 Cb 0.04 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1u1d h ILE 34 CO -0.04 0.48 0.27 0.00 0.00 0.00 0.00 178.15 178.86 1u1d h ALA 35 N 0.49 1.65 0.00 1.87 0.00 -1.21 -2.70 119.26 119.36 1u1d h ALA 35 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u1d h ALA 35 Cb 0.93 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1u1d h ALA 35 CO 0.07 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 1u1d h ALA 36 N 1.70 1.00 0.00 0.00 0.00 -1.22 -2.26 119.26 118.49 1u1d h ALA 36 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1u1d h ALA 36 Cb -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u1d h ALA 36 CO -0.03 0.01 -0.09 -0.07 0.00 0.00 0.00 179.25 179.06 1u1d h LEU 37 N 0.00 0.00 0.00 0.00 4.07 -1.56 -3.46 115.31 114.36 1u1d h LEU 37 Ca -0.00 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.46 1u1d h LEU 37 Cb 0.42 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.18 1u1d h LEU 37 CO 0.00 0.09 -0.09 0.23 -1.08 0.00 0.00 178.44 177.59 1u1d n MET 38 N -3.15 0.60 -3.22 1.13 2.81 -0.85 -5.11 117.12 109.34 1u1d n MET 38 Ca 0.02 -3.23 -0.33 0.00 -1.81 0.00 0.00 57.70 52.36 1u1d n MET 38 Cb 0.48 -0.18 -0.06 0.00 -0.71 0.00 0.00 33.22 32.75 1u1d n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1u1d s ASP 39 N -4.64 6.75 -1.33 7.83 1.01 -0.20 -4.44 116.67 121.66 1u1d s ASP 39 Ca 0.59 1.19 -0.09 0.00 0.71 0.00 0.00 52.55 54.95 1u1d s ASP 39 Cb -0.05 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1u1d s ASP 39 CO 0.37 -0.14 0.49 0.29 0.21 0.00 0.00 175.17 176.39 1u1d n LYS 40 N -0.19 -2.20 -2.21 8.23 5.02 -1.26 0.70 118.16 126.25 1u1d n LYS 40 Ca 0.02 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 1u1d n LYS 40 Cb 0.53 -4.11 -0.03 0.00 -0.02 0.00 0.00 35.03 31.40 1u1d n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1d s PRO 41 N -6.60 4.32 -0.02 1.97 0.04 -1.26 -4.43 135.00 129.02 1u1d s PRO 41 Ca 0.17 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.23 1u1d s PRO 41 Cb -0.07 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1u1d s PRO 41 CO 0.90 -0.46 -0.02 0.08 0.04 0.00 0.00 177.00 177.54 1u1d s VAL 42 N 1.51 0.26 0.26 -0.36 1.01 0.80 -5.00 120.40 118.89 1u1d s VAL 42 Ca 0.64 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1u1d s VAL 42 Cb -0.34 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 1u1d s VAL 42 CO 0.29 0.13 1.18 -0.75 0.00 0.00 0.00 175.10 175.95 1u1d s LYS 43 N 0.58 4.53 -0.08 2.72 2.47 -1.26 -0.21 119.74 128.49 1u1d s LYS 43 Ca -0.06 1.91 -0.08 0.00 -1.56 0.00 0.00 55.97 56.18 1u1d s LYS 43 Cb -0.09 -3.18 -0.04 0.00 -1.46 0.00 0.00 37.83 33.05 1u1d s LYS 43 CO -0.01 0.03 -0.17 1.28 0.16 0.00 0.00 175.35 176.64 1u1d n LEU 44 N 1.57 1.26 -3.58 5.43 4.77 -0.12 -4.86 117.00 121.47 1u1d n LEU 44 Ca 0.01 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1u1d n LEU 44 Cb 0.44 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1u1d n LEU 44 CO 0.56 -0.15 0.22 0.00 -1.33 0.00 0.00 177.39 176.69 1u1d s ALA 45 N -2.36 -1.10 -0.23 -1.18 0.00 -1.05 -5.01 121.76 110.83 1u1d s ALA 45 Ca -0.17 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1u1d s ALA 45 Cb 0.04 0.70 0.12 0.00 0.00 0.00 0.00 23.12 23.98 1u1d s ALA 45 CO 0.23 -0.65 0.31 0.45 0.00 0.00 0.00 175.76 176.09 1u1d s SER 46 N -2.70 0.74 -0.04 0.00 0.15 -1.26 -0.38 113.70 110.21 1u1d s SER 46 Ca 0.02 0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 1u1d s SER 46 Cb 0.01 0.79 0.03 0.00 -1.71 0.00 0.00 66.02 65.14 1u1d s SER 46 CO -0.11 -0.31 0.01 -1.00 1.20 0.00 0.00 173.24 173.02 1u1d s HIS 47 N 2.45 0.38 0.00 3.44 3.76 -0.42 -4.99 115.29 119.90 1u1d s HIS 47 Ca 0.10 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 1u1d s HIS 47 Cb -0.16 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.02 1u1d s HIS 47 CO -0.14 -0.18 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 1u1d n ARG 48 N 4.50 0.00 -0.04 1.40 1.74 -1.26 -0.95 116.66 122.05 1u1d n ARG 48 Ca -0.19 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.95 1u1d n ARG 48 Cb 0.50 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.22 1u1d n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1d n GLU 49 N 14.00 1.22 -3.43 5.56 0.00 -1.26 -4.70 120.64 132.02 1u1d n GLU 49 Ca 0.00 -0.34 -0.44 0.00 0.00 0.00 0.00 57.16 56.38 1u1d n GLU 49 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 31.44 30.18 1u1d n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1d s PHE 50 N -1.90 3.40 -0.21 -1.84 0.40 -0.12 -4.03 117.98 113.67 1u1d s PHE 50 Ca 0.18 -1.69 -0.07 0.00 -0.60 0.00 0.00 56.93 54.75 1u1d s PHE 50 Cb 0.09 -3.65 -0.03 0.00 0.51 0.00 0.00 43.02 39.94 1u1d s PHE 50 CO 0.14 -1.00 0.05 0.99 0.70 0.00 0.00 175.22 176.10 1u1d s THR 51 N 1.24 4.44 -0.10 0.64 2.01 -1.26 -1.31 115.64 121.31 1u1d s THR 51 Ca 0.07 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1u1d s THR 51 Cb -0.25 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1u1d s THR 51 CO -0.00 0.40 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.27 1u1d s THR 52 N 0.97 2.77 0.11 -0.82 2.01 0.49 -1.91 115.64 119.24 1u1d s THR 52 Ca 0.03 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.32 1u1d s THR 52 Cb -0.14 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1u1d s THR 52 CO 0.03 0.55 -0.19 0.26 -0.69 0.00 0.00 174.62 174.58 1u1d s TRP 53 N 0.01 1.69 -0.04 4.92 0.52 0.58 -0.94 118.94 125.67 1u1d s TRP 53 Ca -0.05 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 55.68 1u1d s TRP 53 Cb -0.15 -0.91 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1u1d s TRP 53 CO 0.05 0.19 -0.20 0.50 0.02 0.00 0.00 176.95 177.51 1u1d s ARG 54 N -2.02 2.40 0.10 4.98 3.52 0.70 -0.47 118.95 128.17 1u1d s ARG 54 Ca 0.06 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1u1d s ARG 54 Cb -0.09 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.05 1u1d s ARG 54 CO 0.04 0.55 0.08 0.00 -0.81 0.00 0.00 175.30 175.16 1u1d n ALA 55 N 2.49 0.21 -3.64 6.12 0.00 0.18 -0.14 120.51 125.73 1u1d n ALA 55 Ca -0.17 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.48 1u1d n ALA 55 Cb 0.52 0.45 -0.17 0.00 0.00 0.00 0.00 19.45 20.25 1u1d n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u1d s GLU 56 N -2.40 1.13 -0.23 0.00 2.12 0.22 -0.48 118.70 119.07 1u1d s GLU 56 Ca 0.11 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1u1d s GLU 56 Cb 0.01 -1.11 0.04 0.00 0.26 0.00 0.00 34.13 33.33 1u1d s GLU 56 CO 0.08 -0.11 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.38 1u1d s LEU 57 N 1.09 2.88 -1.46 2.70 2.96 0.10 -1.03 118.68 125.92 1u1d s LEU 57 Ca -0.08 -1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 52.67 1u1d s LEU 57 Cb -0.14 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1u1d s LEU 57 CO -0.01 -0.12 0.73 0.47 -1.32 0.00 0.00 176.35 176.11 1u1d n ASP 58 N 4.52 -2.42 0.00 3.68 10.43 -1.26 -1.38 116.55 130.12 1u1d n ASP 58 Ca -0.17 -0.88 0.00 0.00 2.57 0.00 0.00 54.79 56.31 1u1d n ASP 58 Cb 0.45 -3.56 0.00 0.00 1.84 0.00 0.00 41.12 39.85 1u1d n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1d n GLY 59 N -1.69 1.81 3.50 0.44 0.00 -1.26 -5.02 105.19 102.96 1u1d n GLY 59 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1u1d n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1d s LYS 60 N -0.17 3.35 0.30 1.61 1.02 -0.48 -5.08 119.74 120.30 1u1d s LYS 60 Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1u1d s LYS 60 Cb 0.00 -2.76 -0.11 0.00 -0.52 0.00 0.00 37.83 34.44 1u1d s LYS 60 CO 0.00 0.36 1.46 -1.25 -0.92 0.00 0.00 175.35 175.00 1u1d s PRO 61 N 0.02 4.21 0.01 -1.68 0.04 -1.26 0.01 135.00 136.36 1u1d s PRO 61 Ca -0.01 2.41 0.02 0.00 0.04 0.00 0.00 61.00 63.47 1u1d s PRO 61 Cb -0.14 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1u1d s PRO 61 CO 0.03 -0.46 -0.08 0.08 0.04 0.00 0.00 177.00 176.61 1u1d s VAL 62 N -0.44 0.62 -0.10 -0.36 1.01 0.36 -4.43 120.40 117.06 1u1d s VAL 62 Ca 0.57 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1u1d s VAL 62 Cb -0.44 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1u1d s VAL 62 CO 0.50 0.03 0.08 -0.63 0.00 0.00 0.00 175.10 175.08 1u1d s ILE 63 N -0.49 4.99 -0.13 2.22 -1.09 -0.60 -0.65 121.20 125.44 1u1d s ILE 63 Ca 0.00 -0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.43 1u1d s ILE 63 Cb -0.05 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1u1d s ILE 63 CO 0.00 0.60 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.41 1u1d s VAL 64 N -0.98 2.22 -0.10 2.92 1.01 0.39 -0.43 120.40 125.43 1u1d s VAL 64 Ca 0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1u1d s VAL 64 Cb -0.12 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.43 1u1d s VAL 64 CO 0.04 0.54 0.20 0.00 0.00 0.00 0.00 175.10 175.89 1u1d s SER 66 N 2.10 6.92 -0.05 0.00 1.04 -0.80 -3.64 113.70 119.27 1u1d s SER 66 Ca -0.00 2.10 0.21 0.00 0.48 0.00 0.00 55.95 58.74 1u1d s SER 66 Cb -0.12 -2.60 -0.32 0.00 0.10 0.00 0.00 66.02 63.08 1u1d s SER 66 CO -0.07 -0.38 0.43 0.35 0.98 0.00 0.00 173.24 174.55 1u1d n THR 67 N 0.31 0.15 -0.09 2.02 -2.24 -0.23 -4.33 114.28 109.87 1u1d n THR 67 Ca 0.03 -0.53 0.01 0.00 -2.27 0.00 0.00 64.05 61.29 1u1d n THR 67 Cb 0.48 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1u1d n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1d n GLY 68 N 1.33 -1.44 3.70 3.38 0.00 -0.59 -3.44 105.19 108.14 1u1d n GLY 68 Ca -0.07 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1u1d n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 69 N -1.27 4.85 0.00 -0.61 1.01 -1.26 -4.64 121.20 119.28 1u1d s ILE 69 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.69 1u1d s ILE 69 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1u1d s ILE 69 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1u1d n GLY 70 N 2.96 2.36 0.25 6.18 0.00 -1.25 -4.68 105.19 111.01 1u1d n GLY 70 Ca 0.07 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.30 1u1d n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1d h GLY 71 N 0.00 0.91 0.44 -0.02 0.00 -1.86 -2.39 103.07 100.15 1u1d h GLY 71 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1u1d h GLY 71 CO 0.00 -0.12 -0.25 -2.55 0.00 0.00 0.00 176.54 173.62 1u1d h PRO 72 N 0.31 -0.38 -0.03 4.80 0.11 -1.94 0.31 132.00 135.18 1u1d h PRO 72 Ca 0.36 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.35 1u1d h PRO 72 Cb 0.55 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1u1d h PRO 72 CO -0.42 -0.25 -0.62 0.66 -0.21 0.00 0.00 178.00 177.16 1u1d h SER 73 N -0.39 0.14 -0.35 -2.05 4.64 -1.80 -2.82 113.55 110.91 1u1d h SER 73 Ca 0.06 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1u1d h SER 73 Cb 0.47 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1u1d h SER 73 CO -0.22 0.72 0.14 0.74 -0.87 0.00 0.00 176.83 177.35 1u1d h THR 74 N 0.09 0.93 -0.55 2.95 2.02 -1.12 -1.92 112.91 115.30 1u1d h THR 74 Ca -0.01 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1u1d h THR 74 Cb 1.11 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1u1d h THR 74 CO 0.09 0.06 0.37 0.77 0.37 0.00 0.00 175.52 177.17 1u1d h SER 75 N 0.31 0.64 0.17 4.18 4.64 -0.16 0.72 113.55 124.05 1u1d h SER 75 Ca 0.16 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1u1d h SER 75 Cb 0.11 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1u1d h SER 75 CO -0.14 0.46 -0.08 0.40 -0.87 0.00 0.00 176.83 176.60 1u1d h ILE 76 N 0.75 0.95 -0.66 0.95 2.04 -1.27 -2.11 117.51 118.16 1u1d h ILE 76 Ca 0.20 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1u1d h ILE 76 Cb -0.09 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1u1d h ILE 76 CO -0.04 0.16 0.42 0.00 0.00 0.00 0.00 178.15 178.69 1u1d h ALA 77 N 0.18 0.85 -0.30 1.87 0.00 -0.80 -1.21 119.26 119.86 1u1d h ALA 77 Ca -0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1u1d h ALA 77 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u1d h ALA 77 CO 0.04 0.21 -0.23 0.28 0.00 0.00 0.00 179.25 179.55 1u1d h VAL 78 N 0.84 1.30 -0.18 0.00 2.07 -0.95 -1.58 116.25 117.76 1u1d h VAL 78 Ca 0.26 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1u1d h VAL 78 Cb -0.03 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1u1d h VAL 78 CO -0.08 0.44 0.11 -0.08 0.02 0.00 0.00 177.57 177.98 1u1d h GLU 79 N 0.43 0.24 -0.10 1.57 4.57 -1.18 -0.95 114.58 119.16 1u1d h GLU 79 Ca 0.06 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1u1d h GLU 79 Cb 0.78 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1u1d h GLU 79 CO 0.06 0.19 -0.58 0.93 -1.18 0.00 0.00 179.01 178.43 1u1d h GLU 80 N 0.22 0.31 -0.47 1.92 5.08 -1.22 -1.56 114.58 118.86 1u1d h GLU 80 Ca 0.06 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1u1d h GLU 80 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1u1d h GLU 80 CO -0.01 0.80 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.65 1u1d h LEU 81 N 0.24 0.83 -0.70 1.33 3.38 -1.22 -2.37 115.31 116.80 1u1d h LEU 81 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1u1d h LEU 81 Cb 1.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1u1d h LEU 81 CO 0.09 0.94 0.30 0.00 0.09 0.00 0.00 178.44 179.87 1u1d h ALA 82 N 1.14 0.91 -0.71 1.53 0.00 -0.83 -0.68 119.26 120.63 1u1d h ALA 82 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u1d h ALA 82 Cb 0.58 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1u1d h ALA 82 CO 0.04 0.51 0.47 1.96 0.00 0.00 0.00 179.25 182.23 1u1d h GLN 83 N 0.99 0.90 0.00 0.00 4.20 -1.12 -2.21 115.11 117.87 1u1d h GLN 83 Ca 0.24 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1u1d h GLN 83 Cb 0.18 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1u1d h GLN 83 CO -0.02 0.60 -0.01 1.28 -0.67 0.00 0.00 178.83 180.00 1u1d n LEU 84 N -4.44 0.04 0.00 1.46 4.77 -0.91 -4.91 117.00 113.02 1u1d n LEU 84 Ca 0.08 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1u1d n LEU 84 Cb 0.06 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1u1d n LEU 84 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1u1d n GLY 85 N 1.49 0.89 3.72 -0.72 0.00 -0.79 -4.80 105.19 104.99 1u1d n GLY 85 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1u1d n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 86 N -1.68 3.39 -0.00 -0.61 -1.09 -0.33 -4.47 121.20 116.40 1u1d s ILE 86 Ca 0.00 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.48 1u1d s ILE 86 Cb 0.00 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1u1d s ILE 86 CO 0.00 0.11 0.02 0.54 -1.23 0.00 0.00 174.94 174.38 1u1d n ARG 87 N 3.38 0.67 -4.71 2.79 5.12 0.98 -4.23 116.66 120.67 1u1d n ARG 87 Ca 0.09 -0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.71 1u1d n ARG 87 Cb 0.43 -0.97 -0.17 0.00 -1.16 0.00 0.00 32.46 30.59 1u1d n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1d s THR 88 N -1.96 1.66 -0.15 0.55 2.01 -0.47 -1.08 115.64 116.20 1u1d s THR 88 Ca -0.00 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1u1d s THR 88 Cb 0.01 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 71.05 1u1d s THR 88 CO 0.04 0.47 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.90 1u1d s PHE 89 N 0.74 2.44 -0.27 4.92 0.40 0.93 -1.10 117.98 126.04 1u1d s PHE 89 Ca -0.11 -1.34 -0.01 0.00 -0.60 0.00 0.00 56.93 54.87 1u1d s PHE 89 Cb -0.16 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1u1d s PHE 89 CO 0.02 -0.67 -0.04 -0.51 0.70 0.00 0.00 175.22 174.72 1u1d s LEU 90 N 1.20 3.49 -0.12 -0.37 1.43 -0.23 -0.91 118.68 123.16 1u1d s LEU 90 Ca 0.01 -1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 51.83 1u1d s LEU 90 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1u1d s LEU 90 CO -0.08 -0.18 0.61 -0.60 0.23 0.00 0.00 176.35 176.32 1u1d s ARG 91 N 1.28 4.35 -0.17 1.70 3.52 -0.03 -0.34 118.95 129.25 1u1d s ARG 91 Ca -0.03 0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1u1d s ARG 91 Cb -0.18 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1u1d s ARG 91 CO -0.03 0.02 -0.13 -1.50 -0.81 0.00 0.00 175.30 172.84 1u1d s ILE 92 N 1.02 2.76 0.26 4.11 -1.16 -1.25 -1.03 121.20 125.91 1u1d s ILE 92 Ca 0.31 -0.72 0.04 0.00 -0.51 0.00 0.00 60.65 59.77 1u1d s ILE 92 Cb -0.16 -2.19 -0.02 0.00 0.61 0.00 0.00 42.46 40.70 1u1d s ILE 92 CO 0.13 0.50 0.16 0.61 -2.81 0.00 0.00 174.94 173.53 1u1d n GLY 93 N 4.28 3.35 3.77 1.50 0.00 -0.30 -4.09 105.19 113.70 1u1d n GLY 93 Ca -0.19 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 1u1d n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1d s THR 94 N -2.82 4.18 0.05 2.61 -4.23 -1.26 -1.95 115.64 112.22 1u1d s THR 94 Ca 0.22 -1.45 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 1u1d s THR 94 Cb 0.01 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1u1d s THR 94 CO 0.16 -0.29 0.45 0.28 -0.54 0.00 0.00 174.62 174.68 1u1d s THR 95 N -2.07 0.05 -0.27 3.99 -1.32 -0.94 -4.80 115.64 110.28 1u1d s THR 95 Ca 0.32 -0.39 -0.07 0.00 -1.21 0.00 0.00 61.69 60.34 1u1d s THR 95 Cb -0.08 -0.98 -0.01 0.00 -1.51 0.00 0.00 72.50 69.93 1u1d s THR 95 CO 0.23 -0.21 0.06 -0.83 -2.21 0.00 0.00 174.62 171.66 1u1d s GLY 96 N -2.06 1.76 0.37 6.08 0.00 -1.08 -2.43 107.32 109.96 1u1d s GLY 96 Ca -0.05 -1.29 -0.25 0.00 0.00 0.00 0.00 44.72 43.14 1u1d s GLY 96 CO -0.03 0.58 1.02 0.00 0.00 0.00 0.00 173.10 174.67 1u1d s ALA 97 N 1.55 3.14 -0.33 3.20 0.00 0.61 -1.07 121.76 128.86 1u1d s ALA 97 Ca 0.05 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1u1d s ALA 97 Cb -0.16 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1u1d s ALA 97 CO 0.02 -0.10 0.55 0.44 0.00 0.00 0.00 175.76 176.68 1u1d n ILE 98 N 0.17 0.00 -3.77 0.00 -5.35 0.10 -0.29 119.36 110.22 1u1d n ILE 98 Ca 0.04 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 1u1d n ILE 98 Cb 0.49 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 1u1d n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1d s GLN 99 N -0.30 3.76 0.48 6.28 -1.52 -1.23 -4.80 119.66 122.34 1u1d s GLN 99 Ca 0.03 -0.07 0.16 0.00 -1.95 0.00 0.00 55.36 53.54 1u1d s GLN 99 Cb 0.02 -3.27 1.16 0.00 -0.22 0.00 0.00 33.01 30.70 1u1d s GLN 99 CO 0.04 0.60 2.06 -1.35 -0.25 0.00 0.00 175.29 176.39 1u1d h PRO 100 N 5.52 0.00 0.00 2.91 0.11 -1.96 -2.83 132.00 135.75 1u1d h PRO 100 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u1d h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1d h PRO 100 CO 0.64 0.11 -0.08 -2.39 -0.21 0.00 0.00 178.00 176.07 1u1d n HIS 101 N -4.34 0.53 -3.19 0.65 1.44 -1.26 -4.73 115.22 104.32 1u1d n HIS 101 Ca -0.03 0.15 -0.39 0.00 -2.01 0.00 0.00 57.72 55.44 1u1d n HIS 101 Cb 0.18 -0.73 -0.06 0.00 0.12 0.00 0.00 29.99 29.50 1u1d n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1d s ILE 102 N -3.07 5.07 0.28 0.61 1.01 -1.07 -5.07 121.20 118.97 1u1d s ILE 102 Ca 0.11 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.88 1u1d s ILE 102 Cb 0.15 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1u1d s ILE 102 CO 0.59 0.16 0.42 0.20 0.00 0.00 0.00 174.94 176.31 1u1d s ASN 103 N 1.13 6.20 0.21 3.58 0.02 -1.26 -4.88 114.94 119.93 1u1d s ASN 103 Ca 0.27 0.02 -0.31 0.00 -1.02 0.00 0.00 52.86 51.82 1u1d s ASN 103 Cb -0.16 -1.67 -0.11 0.00 0.02 0.00 0.00 41.25 39.34 1u1d s ASN 103 CO 0.10 -0.22 1.58 -0.69 0.02 0.00 0.00 177.10 177.90 1u1d s VAL 104 N -2.08 2.43 0.00 1.60 1.01 -1.26 -2.18 120.40 119.92 1u1d s VAL 104 Ca 0.38 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1u1d s VAL 104 Cb -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1u1d s VAL 104 CO 0.30 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1u1d n GLY 105 N 3.31 1.24 3.78 4.51 0.00 0.11 -5.01 105.19 113.11 1u1d n GLY 105 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1u1d n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1d s ASP 106 N -1.69 4.92 -0.13 1.61 1.11 -0.93 -4.72 116.67 116.84 1u1d s ASP 106 Ca 0.00 1.88 -0.01 0.00 0.18 0.00 0.00 52.55 54.60 1u1d s ASP 106 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 1u1d s ASP 106 CO 0.00 -1.75 -0.10 -0.69 1.18 0.00 0.00 175.17 173.81 1u1d s VAL 107 N -2.65 3.34 -0.15 -1.27 1.01 -0.14 -0.97 120.40 119.57 1u1d s VAL 107 Ca 0.63 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1u1d s VAL 107 Cb -0.18 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1u1d s VAL 107 CO 0.48 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 175.20 1u1d s LEU 108 N 0.21 2.50 -0.22 3.92 1.43 0.24 -1.45 118.68 125.31 1u1d s LEU 108 Ca -0.06 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1u1d s LEU 108 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1u1d s LEU 108 CO 0.04 0.10 0.07 -0.69 0.23 0.00 0.00 176.35 176.10 1u1d s VAL 109 N 0.72 4.57 -0.24 -1.59 1.01 -0.55 -1.24 120.40 123.08 1u1d s VAL 109 Ca -0.07 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1u1d s VAL 109 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1u1d s VAL 109 CO 0.01 0.39 0.54 -0.89 0.00 0.00 0.00 175.10 175.16 1u1d s THR 110 N 1.03 5.06 0.03 3.92 2.01 -0.67 -2.19 115.64 124.83 1u1d s THR 110 Ca 0.04 0.96 -0.17 0.00 0.31 0.00 0.00 61.69 62.84 1u1d s THR 110 Cb -0.14 -3.86 -0.32 0.00 0.01 0.00 0.00 72.50 68.19 1u1d s THR 110 CO 0.03 0.09 1.03 0.71 -0.69 0.00 0.00 174.62 175.79 1u1d h THR 111 N 5.34 1.32 -2.67 -0.82 1.35 -1.59 -3.41 112.91 112.43 1u1d h THR 111 Ca -0.29 -2.55 0.05 0.00 -0.55 0.00 0.00 66.41 63.06 1u1d h THR 111 Cb 1.14 2.92 -0.13 0.00 -1.73 0.00 0.00 68.15 70.35 1u1d h THR 111 CO 0.73 0.76 0.34 0.00 -0.25 0.00 0.00 175.52 177.11 1u1d s ALA 112 N -2.75 -1.67 0.04 6.62 0.00 -1.26 -0.59 121.76 122.16 1u1d s ALA 112 Ca -0.10 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1u1d s ALA 112 Cb 0.04 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1u1d s ALA 112 CO 0.92 -0.77 -0.25 -1.12 0.00 0.00 0.00 175.76 174.54 1u1d s SER 113 N -2.67 2.93 -0.02 0.00 0.01 -0.12 -2.03 113.70 111.81 1u1d s SER 113 Ca 0.04 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 1u1d s SER 113 Cb -0.01 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1u1d s SER 113 CO -0.09 0.24 1.33 -0.69 0.41 0.00 0.00 173.24 174.44 1u1d s VAL 114 N -0.77 3.89 -1.08 3.43 1.01 0.16 -4.30 120.40 122.75 1u1d s VAL 114 Ca 0.10 1.26 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 1u1d s VAL 114 Cb -0.10 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.61 1u1d s VAL 114 CO 0.02 -0.00 1.34 -0.13 0.00 0.00 0.00 175.10 176.32 1u1d s ARG 115 N 2.35 3.83 -0.49 2.72 0.52 -1.26 -1.47 118.95 125.14 1u1d s ARG 115 Ca 0.61 -2.04 0.03 0.00 -0.52 0.00 0.00 55.73 53.81 1u1d s ARG 115 Cb -0.29 -5.08 0.59 0.00 0.52 0.00 0.00 34.95 30.69 1u1d s ARG 115 CO 0.25 -1.86 1.89 1.28 0.02 0.00 0.00 175.30 176.88 1u1d n LEU 116 N 6.60 6.74 -4.63 2.53 4.77 -0.45 -4.96 117.00 127.61 1u1d n LEU 116 Ca 0.32 -3.84 -0.28 0.00 -0.03 0.00 0.00 56.01 52.18 1u1d n LEU 116 Cb 0.47 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1u1d n LEU 116 CO 0.59 1.21 -0.27 1.51 -1.33 0.00 0.00 177.39 179.10 1u1d s ASP 117 N -1.61 3.66 -0.20 -1.43 -4.77 -1.22 -1.62 116.67 109.47 1u1d s ASP 117 Ca 0.58 -1.47 0.08 0.00 -3.30 0.00 0.00 52.55 48.44 1u1d s ASP 117 Cb 0.48 -0.05 -0.18 0.00 -1.09 0.00 0.00 42.92 42.08 1u1d s ASP 117 CO 0.06 -0.61 -0.08 0.61 0.70 0.00 0.00 175.17 175.86 1u1d n GLY 118 N -1.00 -0.56 0.27 2.12 0.00 -1.26 -4.67 105.19 100.10 1u1d n GLY 118 Ca -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 1u1d n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d h ALA 119 N 0.39 1.37 -0.71 4.61 0.00 -1.98 -2.56 119.26 120.38 1u1d h ALA 119 Ca -0.48 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.29 1u1d h ALA 119 Cb 1.90 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1u1d h ALA 119 CO -0.03 0.44 0.47 0.66 0.00 0.00 0.00 179.25 180.79 1u1d h SER 120 N 0.49 0.67 0.43 0.00 4.64 -1.85 -1.11 113.55 116.81 1u1d h SER 120 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1u1d h SER 120 Cb 0.33 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1u1d h SER 120 CO 0.01 0.44 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.33 1u1d h LEU 121 N 0.76 0.00 -0.00 5.97 3.38 -1.56 -1.71 115.31 122.15 1u1d h LEU 121 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1u1d h LEU 121 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1u1d h LEU 121 CO -0.10 0.01 -0.00 1.41 0.09 0.00 0.00 178.44 179.85 1u1d n HIS 122 N -3.12 0.00 -0.01 1.13 8.25 -0.42 -3.86 115.22 117.19 1u1d n HIS 122 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1u1d n HIS 122 Cb 0.17 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 1u1d n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1d n PHE 123 N -1.27 0.00 -3.66 4.41 3.01 -0.72 -5.08 117.46 114.15 1u1d n PHE 123 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.46 1u1d n PHE 123 Cb 0.24 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 1u1d n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1d s ALA 124 N -2.04 -1.28 0.87 4.37 0.00 -0.75 -5.01 121.76 117.93 1u1d s ALA 124 Ca -0.01 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1u1d s ALA 124 Cb 0.01 -0.28 0.12 0.00 0.00 0.00 0.00 23.12 22.96 1u1d s ALA 124 CO 0.05 -0.29 1.12 -1.25 0.00 0.00 0.00 175.76 175.39 1u1d s PRO 125 N -0.72 1.42 0.46 0.00 0.04 -1.26 -3.86 135.00 131.08 1u1d s PRO 125 Ca -0.08 1.37 0.20 0.00 0.04 0.00 0.00 61.00 62.53 1u1d s PRO 125 Cb -0.03 -1.79 1.18 0.00 0.04 0.00 0.00 34.50 33.91 1u1d s PRO 125 CO 0.05 -2.30 1.93 1.25 0.04 0.00 0.00 177.00 177.97 1u1d h LEU 126 N -1.62 0.26 -2.21 -3.56 5.85 -1.93 -1.19 115.31 110.91 1u1d h LEU 126 Ca -0.44 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1u1d h LEU 126 Cb 1.26 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1u1d h LEU 126 CO 0.46 0.13 -0.04 1.05 -0.34 0.00 0.00 178.44 179.69 1u1d h GLU 127 N 0.27 0.00 -6.56 1.25 9.09 -2.03 -3.42 114.58 113.18 1u1d h GLU 127 Ca 0.35 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.23 1u1d h GLU 127 Cb 1.00 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.11 1u1d h GLU 127 CO -0.08 0.04 0.62 0.12 0.05 0.00 0.00 179.01 179.76 1u1d s PHE 128 N -4.06 3.35 0.07 2.06 2.19 -0.45 -4.99 117.98 116.16 1u1d s PHE 128 Ca -0.03 1.20 -0.30 0.00 0.33 0.00 0.00 56.93 58.13 1u1d s PHE 128 Cb 0.12 -3.53 -0.06 0.00 -1.31 0.00 0.00 43.02 38.25 1u1d s PHE 128 CO 0.51 -1.68 1.15 -1.25 1.83 0.00 0.00 175.22 175.77 1u1d s PRO 129 N 0.70 4.48 -1.24 10.12 0.04 -1.26 -4.93 135.00 142.91 1u1d s PRO 129 Ca 0.59 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 1u1d s PRO 129 Cb -0.33 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1u1d s PRO 129 CO 0.32 -0.16 2.18 0.00 0.04 0.00 0.00 177.00 179.37 1u1d n ALA 130 N 3.62 4.95 -2.80 8.56 0.00 -1.26 -4.74 120.51 128.83 1u1d n ALA 130 Ca 0.07 -3.61 -0.37 0.00 0.00 0.00 0.00 53.44 49.53 1u1d n ALA 130 Cb 0.47 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 1u1d n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1d s VAL 131 N 3.70 5.42 0.52 0.00 0.11 -1.26 -0.95 120.40 127.94 1u1d s VAL 131 Ca 0.51 0.32 -0.18 0.00 -2.93 0.00 0.00 61.98 59.70 1u1d s VAL 131 Cb 0.14 -3.47 -0.07 0.00 -1.53 0.00 0.00 36.38 31.46 1u1d s VAL 131 CO -0.02 0.58 1.03 0.00 -3.33 0.00 0.00 175.10 173.35 1u1d s ALA 132 N -0.79 2.88 0.27 1.54 0.00 0.24 -4.68 121.76 121.23 1u1d s ALA 132 Ca 0.16 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 1u1d s ALA 132 Cb -0.13 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1u1d s ALA 132 CO 0.05 -0.43 1.43 0.34 0.00 0.00 0.00 175.76 177.14 1u1d s ASP 133 N -2.50 6.64 0.20 0.00 2.15 0.28 -4.92 116.67 118.52 1u1d s ASP 133 Ca 0.64 2.70 -0.09 0.00 0.43 0.00 0.00 52.55 56.23 1u1d s ASP 133 Cb -0.14 -2.63 0.14 0.00 -0.30 0.00 0.00 42.92 39.99 1u1d s ASP 133 CO 0.27 -0.69 1.78 0.15 -0.17 0.00 0.00 175.17 176.52 1u1d h PHE 134 N 4.62 1.10 -0.52 -5.34 3.04 -1.95 -0.78 116.94 117.10 1u1d h PHE 134 Ca -0.47 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.31 1u1d h PHE 134 Cb 1.22 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 1u1d h PHE 134 CO 0.59 0.82 -0.11 0.93 -2.02 0.00 0.00 178.31 178.52 1u1d h GLU 135 N 1.06 0.99 -0.36 1.11 5.08 -1.95 -0.76 114.58 119.74 1u1d h GLU 135 Ca 0.25 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1u1d h GLU 135 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1u1d h GLU 135 CO -0.03 1.05 0.01 0.00 -1.00 0.00 0.00 179.01 179.05 1u1d h THR 137 N 0.44 1.18 -0.30 0.00 2.02 -1.09 -1.60 112.91 113.55 1u1d h THR 137 Ca 0.10 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1u1d h THR 137 Cb 0.44 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1u1d h THR 137 CO 0.02 0.19 0.12 0.74 0.37 0.00 0.00 175.52 176.96 1u1d h THR 138 N 0.59 0.94 -0.90 3.16 2.02 -1.06 -1.36 112.91 116.30 1u1d h THR 138 Ca 0.16 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1u1d h THR 138 Cb 0.10 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1u1d h THR 138 CO -0.02 0.05 0.54 0.00 0.37 0.00 0.00 175.52 176.46 1u1d h ALA 139 N 1.18 1.26 -0.31 6.16 0.00 -0.99 -0.09 119.26 126.47 1u1d h ALA 139 Ca 0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1u1d h ALA 139 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1u1d h ALA 139 CO -0.12 0.64 -0.24 -0.07 0.00 0.00 0.00 179.25 179.46 1u1d h LEU 140 N 1.24 0.74 -0.55 0.00 3.38 -1.05 0.14 115.31 119.22 1u1d h LEU 140 Ca 0.32 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1u1d h LEU 140 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1u1d h LEU 140 CO -0.06 1.03 0.19 0.58 0.09 0.00 0.00 178.44 180.28 1u1d h VAL 141 N 0.46 1.23 -0.52 1.22 2.07 -0.99 -0.67 116.25 119.06 1u1d h VAL 141 Ca 0.06 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1u1d h VAL 141 Cb 0.80 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1u1d h VAL 141 CO 0.06 0.28 -0.10 -0.33 0.02 0.00 0.00 177.57 177.50 1u1d h GLU 142 N 0.75 0.96 -0.52 1.57 4.39 -0.98 -2.10 114.58 118.66 1u1d h GLU 142 Ca 0.18 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1u1d h GLU 142 Cb 0.24 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1u1d h GLU 142 CO -0.01 1.01 -0.06 0.00 -1.16 0.00 0.00 179.01 178.78 1u1d h ALA 143 N 1.02 0.90 -0.48 3.43 0.00 -0.78 0.42 119.26 123.77 1u1d h ALA 143 Ca 0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 143 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1u1d h ALA 143 CO 0.04 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 1u1d h ALA 144 N 1.07 1.03 -0.03 0.00 0.00 -1.03 -2.15 119.26 118.16 1u1d h ALA 144 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 144 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u1d h ALA 144 CO 0.04 0.60 -0.56 0.87 0.00 0.00 0.00 179.25 180.19 1u1d h LYS 145 N 0.76 0.09 0.02 0.00 1.57 -1.14 -2.16 116.57 115.71 1u1d h LYS 145 Ca 0.14 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1u1d h LYS 145 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1u1d h LYS 145 CO 0.03 0.62 -0.01 1.03 -0.57 0.00 0.00 179.45 180.55 1u1d h SER 146 N 0.07 -0.03 1.03 0.86 0.87 -0.52 -3.26 113.55 112.58 1u1d h SER 146 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1u1d h SER 146 Cb 1.01 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1u1d h SER 146 CO 0.08 0.48 -0.24 2.30 -0.53 0.00 0.00 176.83 178.92 1u1d n ILE 147 N -4.86 0.28 -0.94 2.23 -6.64 -0.85 -5.02 119.36 103.56 1u1d n ILE 147 Ca -0.09 -0.16 0.00 0.00 -1.77 0.00 0.00 62.75 60.73 1u1d n ILE 147 Cb 0.26 -0.31 0.00 0.00 -1.44 0.00 0.00 39.64 38.15 1u1d n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1u1d n GLY 148 N 1.40 -2.29 3.39 3.28 0.00 -0.84 -5.10 105.19 105.02 1u1d n GLY 148 Ca 0.05 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1u1d n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 149 N 0.00 -1.31 -0.59 4.61 0.00 -1.01 -5.00 121.76 118.46 1u1d s ALA 149 Ca 0.00 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 1u1d s ALA 149 Cb 0.00 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1u1d s ALA 149 CO 0.00 -0.44 1.20 0.99 0.00 0.00 0.00 175.76 177.51 1u1d s THR 150 N -2.08 3.99 -0.06 0.00 2.01 -1.26 -4.84 115.64 113.39 1u1d s THR 150 Ca -0.07 0.86 0.03 0.00 0.31 0.00 0.00 61.69 62.82 1u1d s THR 150 Cb -0.01 -4.75 -0.02 0.00 0.01 0.00 0.00 72.50 67.73 1u1d s THR 150 CO 0.01 -1.39 -0.14 -0.89 -0.69 0.00 0.00 174.62 171.52 1u1d s THR 151 N 5.03 3.07 -0.05 -0.82 2.01 -1.26 -0.96 115.64 122.65 1u1d s THR 151 Ca 0.42 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1u1d s THR 151 Cb -0.07 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 1u1d s THR 151 CO 0.25 0.58 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.55 1u1d s HIS 152 N -0.54 2.06 -0.14 4.92 3.76 -0.53 -4.98 115.29 119.84 1u1d s HIS 152 Ca 0.07 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1u1d s HIS 152 Cb -0.12 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 1u1d s HIS 152 CO 0.01 -0.20 -0.15 0.08 -0.85 0.00 0.00 174.74 173.63 1u1d s VAL 153 N -0.03 2.76 -2.66 -0.90 1.01 -1.26 -1.48 120.40 117.84 1u1d s VAL 153 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1u1d s VAL 153 Cb -0.13 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1u1d s VAL 153 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1d n GLY 154 N 3.80 -0.59 3.82 4.51 0.00 -0.93 -4.98 105.19 110.81 1u1d n GLY 154 Ca -0.19 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1u1d n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 155 N -3.59 4.72 -0.04 1.61 1.01 -1.26 -1.46 120.40 121.39 1u1d s VAL 155 Ca 0.00 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.23 1u1d s VAL 155 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1u1d s VAL 155 CO 0.00 0.45 -0.25 -0.89 0.00 0.00 0.00 175.10 174.41 1u1d s THR 156 N -1.23 2.09 -0.32 3.92 2.01 -0.86 -0.92 115.64 120.33 1u1d s THR 156 Ca 0.33 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 1u1d s THR 156 Cb -0.19 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 1u1d s THR 156 CO 0.20 0.58 0.67 0.00 -0.69 0.00 0.00 174.62 175.38 1u1d s ALA 157 N -0.41 3.51 -0.37 7.40 0.00 0.13 0.39 121.76 132.41 1u1d s ALA 157 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1u1d s ALA 157 Cb -0.12 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.87 1u1d s ALA 157 CO 0.01 -1.18 0.18 0.45 0.00 0.00 0.00 175.76 175.22 1u1d s SER 158 N 1.68 5.59 -0.04 0.00 0.15 -0.54 -1.89 113.70 118.66 1u1d s SER 158 Ca 0.27 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1u1d s SER 158 Cb -0.15 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1u1d s SER 158 CO 0.13 -0.39 -0.00 -0.55 1.20 0.00 0.00 173.24 173.62 1u1d s SER 159 N 1.59 5.11 0.01 5.45 0.15 0.20 -1.34 113.70 124.87 1u1d s SER 159 Ca 0.01 0.04 0.22 0.00 0.70 0.00 0.00 55.95 56.92 1u1d s SER 159 Cb -0.20 -1.37 0.92 0.00 -1.71 0.00 0.00 66.02 63.67 1u1d s SER 159 CO 0.05 0.32 1.70 0.47 1.20 0.00 0.00 173.24 176.97 1u1d n ASP 160 N 1.71 0.03 -4.27 5.45 9.92 -0.64 -4.35 116.55 124.40 1u1d n ASP 160 Ca -0.16 0.50 -0.18 0.00 -0.53 0.00 0.00 54.79 54.42 1u1d n ASP 160 Cb 0.53 -0.51 -0.11 0.00 -0.64 0.00 0.00 41.12 40.39 1u1d n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1d s THR 161 N -3.01 1.43 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.07 1u1d s THR 161 Ca 0.10 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1u1d s THR 161 Cb 0.14 -1.70 -0.23 0.00 1.34 0.00 0.00 72.50 72.05 1u1d s THR 161 CO 0.40 -0.48 1.02 0.15 -0.54 0.00 0.00 174.62 175.16 1u1d h PHE 162 N 3.23 0.11 0.00 3.99 3.57 -1.97 -3.39 116.94 122.48 1u1d h PHE 162 Ca -0.39 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1u1d h PHE 162 Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1d h PHE 162 CO 0.67 1.09 0.00 0.66 -2.23 0.00 0.00 178.31 178.49 1u1d n TYR 163 N -3.29 0.00 -0.17 0.41 4.02 -1.26 -4.34 117.16 112.53 1u1d n TYR 163 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.75 1u1d n TYR 163 Cb 1.00 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.43 1u1d n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1d h PRO 164 N 0.00 0.94 0.00 -0.72 0.13 -1.87 0.14 132.00 130.61 1u1d h PRO 164 Ca 0.00 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1u1d h PRO 164 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1u1d h PRO 164 CO 0.00 0.89 0.00 0.78 -0.23 0.00 0.00 178.00 179.44 1u1d h GLY 165 N 1.01 0.00 -1.72 1.56 0.00 -1.87 -0.90 103.07 101.15 1u1d h GLY 165 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1u1d h GLY 165 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1u1d n GLN 166 N -2.47 3.08 -3.98 4.80 6.02 -0.89 -4.93 117.38 119.01 1u1d n GLN 166 Ca 0.01 -2.71 -0.27 0.00 -0.01 0.00 0.00 57.00 54.02 1u1d n GLN 166 Cb 0.24 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1u1d n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1d n GLU 167 N -0.17 -2.71 -3.29 -1.09 2.13 -0.34 -4.93 120.64 110.23 1u1d n GLU 167 Ca 0.20 0.36 -0.38 0.00 0.66 0.00 0.00 57.16 58.00 1u1d n GLU 167 Cb 0.82 -4.30 -0.06 0.00 0.27 0.00 0.00 31.44 28.17 1u1d n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1d s ARG 168 N -6.64 4.35 0.00 5.31 0.52 0.42 -4.96 118.95 117.95 1u1d s ARG 168 Ca 0.06 0.49 0.15 0.00 -0.52 0.00 0.00 55.73 55.91 1u1d s ARG 168 Cb -0.02 -3.44 -0.13 0.00 0.52 0.00 0.00 34.95 31.88 1u1d s ARG 168 CO 0.90 0.15 0.66 0.66 0.02 0.00 0.00 175.30 177.69 1u1d n TYR 169 N 3.69 0.00 -1.24 -0.53 4.02 -1.26 -4.38 117.16 117.46 1u1d n TYR 169 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.47 1u1d n TYR 169 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 1u1d n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1d n ASP 170 N -1.12 6.80 -4.06 7.72 5.75 -1.26 -4.25 116.55 126.12 1u1d n ASP 170 Ca 0.03 -2.57 -0.24 0.00 -0.01 0.00 0.00 54.79 52.01 1u1d n ASP 170 Cb 0.25 -1.45 -0.08 0.00 -1.03 0.00 0.00 41.12 38.80 1u1d n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1d s THR 171 N 2.77 0.55 0.11 2.12 -4.23 -1.26 -5.03 115.64 110.67 1u1d s THR 171 Ca 0.59 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 1u1d s THR 171 Cb 0.15 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.48 1u1d s THR 171 CO -0.05 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 175.98 1u1d h TYR 172 N 1.92 0.01 0.08 3.99 5.03 -1.99 -3.16 116.97 122.84 1u1d h TYR 172 Ca -0.35 0.01 -0.26 0.00 2.58 0.00 0.00 58.73 60.72 1u1d h TYR 172 Cb 1.26 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 1u1d h TYR 172 CO 1.36 -0.01 -1.20 0.66 -1.32 0.00 0.00 178.16 177.66 1u1d h SER 173 N 0.05 0.26 -0.17 -2.11 4.64 -1.97 -3.47 113.55 110.78 1u1d h SER 173 Ca 0.05 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.01 1u1d h SER 173 Cb 0.06 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1u1d h SER 173 CO -0.09 1.23 -0.07 0.61 -0.87 0.00 0.00 176.83 177.65 1u1d n GLY 174 N 1.48 0.60 3.38 -0.77 0.00 -1.20 -5.01 105.19 103.68 1u1d n GLY 174 Ca -0.06 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 1u1d n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1d s ARG 175 N -1.60 1.40 -0.06 1.61 1.70 -1.26 -4.93 118.95 115.81 1u1d s ARG 175 Ca 0.00 -1.43 0.04 0.00 -0.47 0.00 0.00 55.73 53.86 1u1d s ARG 175 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 34.95 32.70 1u1d s ARG 175 CO 0.00 0.37 -0.17 0.08 -1.08 0.00 0.00 175.30 174.50 1u1d s VAL 176 N -1.60 1.44 0.48 4.99 1.01 -1.26 -4.92 120.40 120.53 1u1d s VAL 176 Ca 0.17 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1u1d s VAL 176 Cb -0.08 -1.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 1u1d s VAL 176 CO 0.08 0.42 1.08 0.55 0.00 0.00 0.00 175.10 177.23 1u1d n VAL 177 N 3.45 2.90 -0.31 2.92 3.14 -1.26 -4.63 118.33 124.55 1u1d n VAL 177 Ca -0.20 -0.50 0.14 0.00 -2.96 0.00 0.00 64.34 60.82 1u1d n VAL 177 Cb 0.52 -1.29 0.29 0.00 -1.06 0.00 0.00 33.84 32.30 1u1d n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1d h ARG 178 N 1.37 0.09 -0.76 1.45 2.43 -2.00 -0.21 114.38 116.75 1u1d h ARG 178 Ca -0.47 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.81 1u1d h ARG 178 Cb 1.33 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1u1d h ARG 178 CO 0.56 0.06 0.50 1.25 -1.51 0.00 0.00 179.97 180.83 1u1d h HIS 179 N 0.09 0.68 -0.03 2.20 2.76 -2.02 -2.36 115.15 116.48 1u1d h HIS 179 Ca 0.57 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.76 1u1d h HIS 179 Cb 1.17 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1u1d h HIS 179 CO -0.38 0.30 -0.03 1.19 -1.30 0.00 0.00 177.93 177.72 1u1d n PHE 180 N -4.50 0.00 -2.11 5.26 3.01 -0.15 -4.79 117.46 114.18 1u1d n PHE 180 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 1u1d n PHE 180 Cb 0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1u1d n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1d s LYS 181 N -1.78 4.22 -0.05 -1.08 -0.14 -0.85 -2.08 119.74 117.98 1u1d s LYS 181 Ca 0.24 2.09 0.00 0.00 -1.36 0.00 0.00 55.97 56.93 1u1d s LYS 181 Cb 0.17 -3.78 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 1u1d s LYS 181 CO 0.28 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.54 1u1d n GLY 182 N 3.91 0.43 0.22 -3.33 0.00 -1.26 -4.94 105.19 100.22 1u1d n GLY 182 Ca 0.15 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1u1d n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1d h SER 183 N 0.00 0.73 -0.49 1.61 4.64 -1.73 -2.95 113.55 115.35 1u1d h SER 183 Ca -0.01 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1u1d h SER 183 Cb 0.23 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1u1d h SER 183 CO 0.01 1.14 0.29 -0.03 -0.87 0.00 0.00 176.83 177.37 1u1d h MET 184 N 0.49 0.68 -0.78 4.77 -1.53 -1.92 -0.66 114.93 115.98 1u1d h MET 184 Ca 0.00 -0.07 0.01 0.00 -3.44 0.00 0.00 59.70 56.21 1u1d h MET 184 Cb 1.14 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 32.01 1u1d h MET 184 CO 0.11 0.51 0.52 1.49 0.14 0.00 0.00 176.91 179.68 1u1d h GLU 185 N 0.66 1.01 -0.10 0.39 4.81 -1.97 0.45 114.58 119.83 1u1d h GLU 185 Ca 0.18 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1u1d h GLU 185 Cb 0.02 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1u1d h GLU 185 CO -0.03 0.67 0.01 1.49 -0.73 0.00 0.00 179.01 180.42 1u1d h GLU 186 N 1.04 0.18 -0.87 1.92 4.57 -1.25 -1.67 114.58 118.50 1u1d h GLU 186 Ca 0.29 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1u1d h GLU 186 Cb -0.10 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1u1d h GLU 186 CO -0.07 0.39 0.49 -1.49 -1.18 0.00 0.00 179.01 177.15 1u1d h TRP 187 N -0.07 1.18 -0.38 0.92 -0.00 -0.81 -1.98 115.95 114.81 1u1d h TRP 187 Ca 0.03 -0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.92 1u1d h TRP 187 Cb 0.30 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 29.05 1u1d h TRP 187 CO 0.02 0.81 0.20 1.96 -0.00 0.00 0.00 178.44 181.42 1u1d h GLN 188 N 1.20 0.39 0.00 0.49 4.20 -0.83 -1.16 115.11 119.41 1u1d h GLN 188 Ca 0.31 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1u1d h GLN 188 Cb 0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1u1d h GLN 188 CO -0.05 0.26 -0.18 0.00 -0.67 0.00 0.00 178.83 178.19 1u1d h ALA 189 N 1.19 1.47 -0.04 3.87 0.00 -1.04 -2.22 119.26 122.49 1u1d h ALA 189 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1d h ALA 189 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u1d h ALA 189 CO -0.10 0.22 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 1u1d n MET 190 N -3.98 1.43 -0.91 0.00 2.81 -0.77 -4.92 117.12 110.78 1u1d n MET 190 Ca -0.02 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1u1d n MET 190 Cb 0.26 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1u1d n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1d n GLY 191 N 1.07 0.52 3.72 3.03 0.00 -0.84 -5.01 105.19 107.68 1u1d n GLY 191 Ca 0.19 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1u1d n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 192 N -2.00 2.72 0.05 1.61 1.01 -0.51 -4.61 120.40 118.67 1u1d s VAL 192 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 1u1d s VAL 192 Cb 0.00 -3.33 -0.28 0.00 0.00 0.00 0.00 36.38 32.77 1u1d s VAL 192 CO 0.00 0.04 1.10 0.24 0.00 0.00 0.00 175.10 176.48 1u1d h MET 193 N 6.78 0.62 -2.68 2.72 0.00 -1.35 -3.41 114.93 117.61 1u1d h MET 193 Ca -0.43 -0.79 0.11 0.00 0.00 0.00 0.00 59.70 58.59 1u1d h MET 193 Cb 1.21 0.26 -0.08 0.00 0.00 0.00 0.00 31.60 32.99 1u1d h MET 193 CO 0.91 1.36 0.35 0.54 0.00 0.00 0.00 176.91 180.06 1u1d s ASN 194 N -7.35 -0.26 -0.11 1.22 6.03 -1.26 -0.72 114.94 112.48 1u1d s ASN 194 Ca -0.10 -0.43 -0.00 0.00 -1.03 0.00 0.00 52.86 51.30 1u1d s ASN 194 Cb 0.05 0.59 -0.02 0.00 -3.03 0.00 0.00 41.25 38.85 1u1d s ASN 194 CO 0.92 -1.08 -0.11 -0.31 -2.03 0.00 0.00 177.10 174.49 1u1d s TYR 195 N -3.59 2.85 0.00 1.54 4.12 -0.24 -0.69 117.35 121.35 1u1d s TYR 195 Ca 0.10 -0.40 0.00 0.00 0.02 0.00 0.00 57.07 56.79 1u1d s TYR 195 Cb -0.03 -1.81 0.00 0.00 -1.52 0.00 0.00 41.96 38.59 1u1d s TYR 195 CO 0.02 -0.04 0.00 -0.85 0.02 0.00 0.00 175.55 174.71 1u1d n GLU 196 N 3.15 0.00 0.00 -0.62 -0.00 -0.79 -2.63 120.64 119.75 1u1d n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1d n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1d n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1d n MET 197 N 0.00 0.44 0.00 3.44 2.81 -1.26 -0.63 117.12 121.91 1u1d n MET 197 Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 1u1d n MET 197 Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1u1d n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1d n GLU 198 N -0.13 3.14 -0.30 0.03 4.71 -1.26 -3.33 120.64 123.49 1u1d n GLU 198 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1u1d n GLU 198 Cb 0.20 -0.71 0.07 0.00 -1.01 0.00 0.00 31.44 29.99 1u1d n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1d h SER 199 N 0.00 1.10 -0.41 1.62 4.64 -1.94 -1.71 113.55 116.85 1u1d h SER 199 Ca 0.00 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1u1d h SER 199 Cb 0.08 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 1u1d h SER 199 CO 0.00 0.96 0.19 0.00 -0.87 0.00 0.00 176.83 177.11 1u1d h ALA 200 N 1.19 0.51 0.28 5.18 0.00 -1.87 0.21 119.26 124.76 1u1d h ALA 200 Ca 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u1d h ALA 200 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u1d h ALA 200 CO -0.03 -0.18 -0.14 1.15 0.00 0.00 0.00 179.25 180.06 1u1d h THR 201 N 0.39 0.76 0.04 0.00 2.02 -1.86 -1.97 112.91 112.28 1u1d h THR 201 Ca 0.18 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1u1d h THR 201 Cb 0.10 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1u1d h THR 201 CO -0.14 0.08 -0.19 0.25 0.37 0.00 0.00 175.52 175.89 1u1d h LEU 202 N -0.59 -0.55 -0.60 2.58 5.85 -1.13 -1.19 115.31 119.68 1u1d h LEU 202 Ca -0.04 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1u1d h LEU 202 Cb 0.43 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1u1d h LEU 202 CO 0.06 -0.26 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.82 1u1d h LEU 203 N -0.33 1.05 0.03 2.25 3.38 -0.64 -1.87 115.31 119.18 1u1d h LEU 203 Ca 0.05 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1u1d h LEU 203 Cb 0.39 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1u1d h LEU 203 CO -0.15 1.11 -0.02 0.74 0.09 0.00 0.00 178.44 180.21 1u1d h THR 204 N 0.96 1.16 0.00 0.22 2.02 -1.28 -1.13 112.91 114.86 1u1d h THR 204 Ca 0.17 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1u1d h THR 204 Cb 0.58 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1u1d h THR 204 CO 0.03 0.15 -0.30 0.00 0.37 0.00 0.00 175.52 175.77 1u1d h MET 205 N -0.30 0.00 0.11 6.66 -0.00 -1.16 -1.85 114.93 118.38 1u1d h MET 205 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.54 1u1d h MET 205 Cb 0.28 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.90 1u1d h MET 205 CO 0.01 0.30 -0.67 0.00 -0.00 0.00 0.00 176.91 176.55 1u1d h ALA 207 N 0.06 1.34 -0.30 0.00 0.00 -1.10 0.29 119.26 119.55 1u1d h ALA 207 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 207 Cb 1.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1u1d h ALA 207 CO 0.12 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1u1d n SER 208 N -3.78 2.98 -0.10 0.00 3.41 -0.71 -4.26 113.62 111.16 1u1d n SER 208 Ca -0.02 -1.92 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 1u1d n SER 208 Cb 0.27 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1u1d n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1d n GLN 209 N 1.19 0.97 -1.78 4.33 6.02 -0.96 -5.01 117.38 122.14 1u1d n GLN 209 Ca 0.18 -1.12 -0.08 0.00 -0.01 0.00 0.00 57.00 55.98 1u1d n GLN 209 Cb 0.54 -0.76 -0.02 0.00 1.02 0.00 0.00 30.24 31.03 1u1d n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 210 N -0.31 0.41 3.66 1.08 0.00 -0.98 -5.03 105.19 104.02 1u1d n GLY 210 Ca 0.02 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1u1d n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 211 N -2.03 3.45 -0.07 0.99 1.43 0.05 -5.05 118.68 117.46 1u1d s LEU 211 Ca 0.00 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 1u1d s LEU 211 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1u1d s LEU 211 CO 0.00 0.30 0.60 -0.13 0.23 0.00 0.00 176.35 177.35 1u1d s ARG 212 N -1.40 4.37 -0.00 1.70 0.52 -0.24 -3.86 118.95 120.04 1u1d s ARG 212 Ca 0.18 0.70 0.02 0.00 -0.52 0.00 0.00 55.73 56.11 1u1d s ARG 212 Cb -0.11 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1u1d s ARG 212 CO 0.08 0.18 -0.05 0.00 0.02 0.00 0.00 175.30 175.53 1u1d s ALA 213 N 0.47 0.43 0.11 2.13 0.00 -1.26 -0.05 121.76 123.59 1u1d s ALA 213 Ca 0.32 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1u1d s ALA 213 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1u1d s ALA 213 CO 0.15 0.10 -0.13 0.20 0.00 0.00 0.00 175.76 176.08 1u1d s GLY 214 N -0.20 0.99 -0.05 0.00 0.00 -0.09 -0.56 107.32 107.42 1u1d s GLY 214 Ca 0.01 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 1u1d s GLY 214 CO -0.00 -1.30 0.01 -0.29 0.00 0.00 0.00 173.10 171.51 1u1d s MET 215 N -2.64 0.43 0.02 2.90 1.75 -1.26 -0.85 119.30 119.64 1u1d s MET 215 Ca 0.07 0.12 0.02 0.00 -1.25 0.00 0.00 55.69 54.65 1u1d s MET 215 Cb -0.05 -0.73 -0.01 0.00 2.84 0.00 0.00 34.83 36.88 1u1d s MET 215 CO 0.02 -0.23 -0.07 0.54 -0.65 0.00 0.00 175.02 174.63 1u1d s VAL 216 N 1.59 0.53 -0.05 10.11 0.11 -0.20 -1.66 120.40 130.82 1u1d s VAL 216 Ca -0.01 -0.61 -0.10 0.00 -2.93 0.00 0.00 61.98 58.32 1u1d s VAL 216 Cb -0.13 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1u1d s VAL 216 CO -0.03 -0.08 0.25 0.00 -3.33 0.00 0.00 175.10 171.91 1u1d s ALA 217 N -0.66 -0.63 -0.15 1.54 0.00 -0.37 -1.15 121.76 120.34 1u1d s ALA 217 Ca -0.03 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1u1d s ALA 217 Cb -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1u1d s ALA 217 CO 0.00 -0.18 0.24 0.20 0.00 0.00 0.00 175.76 176.02 1u1d s GLY 218 N -0.59 2.18 -0.32 0.00 0.00 -0.82 -0.59 107.32 107.17 1u1d s GLY 218 Ca -0.07 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 1u1d s GLY 218 CO 0.02 0.22 1.14 0.14 0.00 0.00 0.00 173.10 174.62 1u1d s VAL 219 N 0.10 4.39 -0.51 1.40 1.01 -0.14 -2.21 120.40 124.44 1u1d s VAL 219 Ca 0.15 1.58 0.12 0.00 0.00 0.00 0.00 61.98 63.83 1u1d s VAL 219 Cb -0.13 -4.36 -0.14 0.00 0.00 0.00 0.00 36.38 31.76 1u1d s VAL 219 CO 0.03 -0.51 0.49 2.30 0.00 0.00 0.00 175.10 177.41 1u1d n ILE 220 N 6.02 0.00 -3.76 2.22 -5.35 -1.02 0.04 119.36 117.51 1u1d n ILE 220 Ca 0.13 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1u1d n ILE 220 Cb 0.47 0.91 -0.10 0.00 -1.74 0.00 0.00 39.64 39.18 1u1d n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1d s VAL 221 N -2.22 0.01 -0.21 7.28 0.11 -1.23 -4.58 120.40 119.55 1u1d s VAL 221 Ca 0.04 -0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1u1d s VAL 221 Cb 0.09 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1u1d s VAL 221 CO 0.50 -0.07 -0.06 0.21 -3.33 0.00 0.00 175.10 172.35 1u1d s ASN 222 N -0.20 4.17 0.28 3.54 3.84 -1.26 -0.28 114.94 125.03 1u1d s ASN 222 Ca -0.03 -0.41 0.24 0.00 0.21 0.00 0.00 52.86 52.86 1u1d s ASN 222 Cb -0.03 -1.71 1.03 0.00 -0.55 0.00 0.00 41.25 39.99 1u1d s ASN 222 CO 0.01 -0.01 1.72 0.54 -2.79 0.00 0.00 177.10 176.58 1u1d n ARG 223 N 4.69 0.20 0.00 0.43 5.12 0.60 -2.01 116.66 125.69 1u1d n ARG 223 Ca -0.18 0.46 0.13 0.00 -1.93 0.00 0.00 57.85 56.33 1u1d n ARG 223 Cb 0.51 -1.90 0.41 0.00 -1.16 0.00 0.00 32.46 30.32 1u1d n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1u1d n THR 224 N -2.28 0.00 0.00 0.55 -2.24 -1.26 -4.58 114.28 104.47 1u1d n THR 224 Ca 0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1u1d n THR 224 Cb 0.21 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1u1d n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1d n GLN 225 N -0.69 0.00 -3.77 -0.78 10.64 -1.01 -5.09 117.38 116.68 1u1d n GLN 225 Ca 0.13 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.19 1u1d n GLN 225 Cb 0.34 -0.47 -0.07 0.00 -0.86 0.00 0.00 30.24 29.17 1u1d n GLN 225 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1u1d s GLN 226 N -1.76 0.81 -0.07 2.61 0.00 -0.85 -5.07 119.66 115.32 1u1d s GLN 226 Ca 0.00 -0.60 0.07 0.00 -0.00 0.00 0.00 55.36 54.83 1u1d s GLN 226 Cb 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 33.01 33.26 1u1d s GLN 226 CO 0.00 -0.26 0.04 -1.91 0.00 0.00 0.00 175.29 173.16 1u1d n GLU 227 N 0.45 2.49 -3.24 9.60 4.07 -1.26 -4.13 120.64 128.61 1u1d n GLU 227 Ca -0.18 -0.01 -0.43 0.00 -0.06 0.00 0.00 57.16 56.48 1u1d n GLU 227 Cb 0.60 -1.20 -0.08 0.00 -0.06 0.00 0.00 31.44 30.70 1u1d n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1d s ILE 228 N -2.23 4.99 0.49 6.31 1.01 -1.26 -5.01 121.20 125.51 1u1d s ILE 228 Ca -0.04 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 1u1d s ILE 228 Cb 0.03 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 1u1d s ILE 228 CO 0.33 -0.51 1.03 -2.84 0.00 0.00 0.00 174.94 172.94 1u1d s PRO 229 N 2.37 3.82 -0.07 2.79 0.02 -1.26 -5.04 135.00 137.62 1u1d s PRO 229 Ca 0.15 1.30 -0.18 0.00 0.02 0.00 0.00 61.00 62.29 1u1d s PRO 229 Cb -0.16 -2.10 -0.05 0.00 0.02 0.00 0.00 34.50 32.21 1u1d s PRO 229 CO 0.15 -0.41 0.50 1.21 -0.33 0.00 0.00 177.00 178.12 1u1d s ASN 230 N -2.12 6.77 -0.68 2.53 2.47 -1.26 -4.98 114.94 117.67 1u1d s ASN 230 Ca 0.66 0.92 -0.08 0.00 0.42 0.00 0.00 52.86 54.78 1u1d s ASN 230 Cb -0.15 -2.30 -0.19 0.00 -1.45 0.00 0.00 41.25 37.16 1u1d s ASN 230 CO 0.21 0.07 3.34 0.00 -3.72 0.00 0.00 177.10 177.00 1u1d n ALA 231 N 3.18 6.88 0.00 1.71 0.00 -1.26 -2.04 120.51 128.98 1u1d n ALA 231 Ca -0.08 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.81 1u1d n ALA 231 Cb 0.52 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1u1d n ALA 231 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u1d n GLU 232 N 2.92 0.00 -0.08 0.00 0.00 -1.26 -4.82 120.64 117.40 1u1d n GLU 232 Ca 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.68 1u1d n GLU 232 Cb 0.63 -0.06 0.14 0.00 0.00 0.00 0.00 31.44 32.15 1u1d n GLU 232 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1u1d h THR 233 N 0.00 1.26 -0.59 6.31 2.02 -1.97 -2.35 112.91 117.59 1u1d h THR 233 Ca 0.00 -1.17 0.07 0.00 0.77 0.00 0.00 66.41 66.08 1u1d h THR 233 Cb 0.00 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 1u1d h THR 233 CO 0.00 0.40 0.28 0.24 0.37 0.00 0.00 175.52 176.81 1u1d h MET 234 N 0.67 0.51 -0.32 6.66 2.86 -1.74 0.43 114.93 124.00 1u1d h MET 234 Ca 0.11 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 1u1d h MET 234 Cb 0.59 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1u1d h MET 234 CO 0.04 0.34 -0.39 0.87 1.06 0.00 0.00 176.91 178.82 1u1d h LYS 235 N 0.52 0.78 -0.27 1.72 6.56 -1.81 -2.19 116.57 121.89 1u1d h LYS 235 Ca 0.28 -0.41 -0.13 0.00 -1.06 0.00 0.00 60.65 59.33 1u1d h LYS 235 Cb 0.24 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1u1d h LYS 235 CO -0.22 1.03 -0.35 0.37 -2.06 0.00 0.00 179.45 178.22 1u1d h GLN 236 N 0.64 0.71 -0.50 3.15 5.75 -0.97 -1.77 115.11 122.12 1u1d h GLN 236 Ca 0.05 -0.41 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 1u1d h GLN 236 Cb 0.95 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1u1d h GLN 236 CO 0.09 1.03 0.21 1.15 -2.65 0.00 0.00 178.83 178.66 1u1d h THR 237 N 0.45 1.21 -0.26 2.39 2.02 -0.17 -0.04 112.91 118.51 1u1d h THR 237 Ca 0.03 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1u1d h THR 237 Cb 0.94 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1u1d h THR 237 CO 0.08 0.24 0.15 -0.08 0.37 0.00 0.00 175.52 176.28 1u1d h GLU 238 N 0.67 0.30 -0.77 6.66 4.81 -1.39 -0.63 114.58 124.24 1u1d h GLU 238 Ca 0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1u1d h GLU 238 Cb 0.17 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1u1d h GLU 238 CO -0.02 0.20 0.50 0.77 -0.73 0.00 0.00 179.01 179.73 1u1d h SER 239 N 0.31 0.90 -0.73 1.04 0.02 -1.12 0.63 113.55 114.59 1u1d h SER 239 Ca 0.10 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1u1d h SER 239 Cb -0.01 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1u1d h SER 239 CO -0.05 0.66 0.41 -0.74 -1.14 0.00 0.00 176.83 175.98 1u1d h HIS 240 N 1.05 1.00 -0.18 3.45 -0.00 -0.71 -2.02 115.15 117.74 1u1d h HIS 240 Ca 0.28 -0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.46 1u1d h HIS 240 Cb -0.10 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 26.99 1u1d h HIS 240 CO -0.02 0.70 -0.61 0.00 -0.00 0.00 0.00 177.93 178.00 1u1d h ALA 241 N 1.21 0.59 -0.74 5.26 0.00 -0.73 -2.99 119.26 121.87 1u1d h ALA 241 Ca 0.26 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1u1d h ALA 241 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1u1d h ALA 241 CO -0.04 0.70 0.34 0.28 0.00 0.00 0.00 179.25 180.52 1u1d h VAL 242 N 0.46 1.24 -0.35 0.00 2.07 -0.69 -1.76 116.25 117.22 1u1d h VAL 242 Ca -0.00 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1u1d h VAL 242 Cb 1.18 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1u1d h VAL 242 CO 0.12 0.29 -0.04 0.11 0.02 0.00 0.00 177.57 178.07 1u1d h LYS 243 N 1.04 0.57 -0.20 1.57 1.57 -1.37 -2.30 116.57 117.46 1u1d h LYS 243 Ca 0.25 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1u1d h LYS 243 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1u1d h LYS 243 CO -0.03 0.62 -0.37 0.82 -0.57 0.00 0.00 179.45 179.93 1u1d h ILE 244 N 0.54 1.33 -0.27 1.86 2.04 -1.32 -2.46 117.51 119.23 1u1d h ILE 244 Ca 0.11 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 64.28 1u1d h ILE 244 Cb 0.41 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1u1d h ILE 244 CO 0.02 0.49 -0.24 1.62 0.00 0.00 0.00 178.15 180.04 1u1d h VAL 245 N 0.28 1.26 -0.28 1.67 3.04 -1.24 -0.80 116.25 120.18 1u1d h VAL 245 Ca 0.01 -1.26 -0.08 0.00 -1.01 0.00 0.00 66.70 64.36 1u1d h VAL 245 Cb 0.96 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1u1d h VAL 245 CO 0.08 0.40 -0.15 0.58 -1.01 0.00 0.00 177.57 177.48 1u1d h VAL 246 N 0.46 1.30 -0.55 1.51 2.07 -1.45 -1.24 116.25 118.34 1u1d h VAL 246 Ca 0.07 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1u1d h VAL 246 Cb 0.66 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1u1d h VAL 246 CO 0.05 0.40 0.10 -0.08 0.02 0.00 0.00 177.57 178.05 1u1d h GLU 247 N 0.34 0.86 -0.47 1.57 4.57 -1.30 -2.19 114.58 117.97 1u1d h GLU 247 Ca 0.06 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 1u1d h GLU 247 Cb 0.67 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1u1d h GLU 247 CO 0.04 0.80 -0.12 0.00 -1.18 0.00 0.00 179.01 178.56 1u1d h ALA 248 N 1.28 0.91 -0.68 2.92 0.00 -1.05 -2.89 119.26 119.74 1u1d h ALA 248 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1u1d h ALA 248 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1u1d h ALA 248 CO 0.01 0.63 0.37 0.00 0.00 0.00 0.00 179.25 180.25 1u1d h ALA 249 N 1.09 1.37 -0.75 0.00 0.00 -0.86 -2.01 119.26 118.10 1u1d h ALA 249 Ca 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u1d h ALA 249 Cb 0.63 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1u1d h ALA 249 CO 0.04 0.52 0.49 0.00 0.00 0.00 0.00 179.25 180.30 1u1d h ARG 250 N 0.95 0.78 0.00 0.00 3.08 -1.19 -2.41 114.38 115.59 1u1d h ARG 250 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1u1d h ARG 250 Cb 0.03 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1u1d h ARG 250 CO -0.04 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 1u1d h ARG 251 N 0.81 0.00 -0.19 0.04 3.08 -1.30 -3.29 114.38 113.53 1u1d h ARG 251 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1u1d h ARG 251 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1u1d h ARG 251 CO -0.11 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.07 1u1d n LEU 252 N -2.50 2.79 0.00 3.04 4.77 -0.92 -5.06 117.00 119.13 1u1d n LEU 252 Ca 0.05 -1.32 0.14 0.00 -0.03 0.00 0.00 56.01 54.85 1u1d n LEU 252 Cb 0.45 -0.12 0.80 0.00 -2.33 0.00 0.00 43.42 42.22 1u1d n LEU 252 CO 0.31 0.57 0.98 0.18 -1.33 0.00 0.00 177.39 178.10