#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgu s ASP 3 N 0.00 5.09 -0.23 4.39 2.15 -1.26 -4.94 116.67 121.87 3hgu s ASP 3 Ca 0.00 -0.20 0.14 0.00 0.43 0.00 0.00 52.55 52.92 3hgu s ASP 3 Cb 0.00 -1.91 0.58 0.00 -0.30 0.00 0.00 42.92 41.29 3hgu s ASP 3 CO 0.00 -0.01 1.51 -1.22 -0.17 0.00 0.00 175.17 175.28 3hgu n TYR 4 N 4.77 1.27 -0.27 -5.34 4.01 -1.26 -4.69 117.16 115.64 3hgu n TYR 4 Ca -0.16 -1.05 0.05 0.00 -0.16 0.00 0.00 57.90 56.58 3hgu n TYR 4 Cb 0.51 -0.42 0.19 0.00 -0.31 0.00 0.00 39.34 39.32 3hgu n TYR 4 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3hgu h SER 5 N 1.90 0.40 -0.18 7.72 0.02 -1.92 -1.44 113.55 120.05 3hgu h SER 5 Ca 0.08 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3hgu h SER 5 Cb 1.65 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 3hgu h SER 5 CO 0.35 0.17 0.07 -0.07 -1.14 0.00 0.00 176.83 176.21 3hgu h LEU 6 N 0.53 0.25 -0.79 5.07 3.38 -2.00 -1.75 115.31 120.01 3hgu h LEU 6 Ca 0.42 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.30 3hgu h LEU 6 Cb 0.60 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3hgu h LEU 6 CO -0.37 0.36 0.45 -0.33 0.09 0.00 0.00 178.44 178.64 3hgu h GLU 7 N 0.14 0.75 -0.18 1.13 3.07 -1.75 -0.52 114.58 117.21 3hgu h GLU 7 Ca 0.06 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3hgu h GLU 7 Cb 0.18 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3hgu h GLU 7 CO -0.00 0.50 0.02 0.82 -1.40 0.00 0.00 179.01 178.94 3hgu h ILE 8 N 0.77 1.24 -0.67 3.13 2.04 -1.18 -2.39 117.51 120.44 3hgu h ILE 8 Ca 0.37 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.53 3hgu h ILE 8 Cb 0.31 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3hgu h ILE 8 CO -0.23 0.24 0.34 0.44 0.00 0.00 0.00 178.15 178.94 3hgu h ASP 9 N 0.08 0.46 -0.60 1.72 3.32 -0.92 -1.09 116.42 119.39 3hgu h ASP 9 Ca 0.05 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3hgu h ASP 9 Cb 0.34 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3hgu h ASP 9 CO 0.01 0.28 0.35 0.00 -1.72 0.00 0.00 179.24 178.15 3hgu h ALA 10 N 1.39 0.79 -0.28 3.45 0.00 -1.00 -0.46 119.26 123.15 3hgu h ALA 10 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3hgu h ALA 10 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hgu h ALA 10 CO -0.24 0.04 0.14 0.28 0.00 0.00 0.00 179.25 179.47 3hgu h VAL 11 N 0.66 0.99 0.00 0.00 2.07 -0.82 -1.65 116.25 117.50 3hgu h VAL 11 Ca 0.26 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 3hgu h VAL 11 Cb 0.10 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3hgu h VAL 11 CO -0.14 0.05 -0.45 0.24 0.02 0.00 0.00 177.57 177.29 3hgu h MET 12 N 0.29 0.00 -0.20 1.57 2.07 -0.76 -2.36 114.93 115.54 3hgu h MET 12 Ca 0.11 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.69 3hgu h MET 12 Cb 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 3hgu h MET 12 CO -0.08 0.45 -0.09 -0.22 1.07 0.00 0.00 176.91 178.05 3hgu h LYS 13 N 0.00 0.41 -0.92 1.72 1.63 -0.83 -1.96 116.57 116.62 3hgu h LYS 13 Ca -0.00 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.67 3hgu h LYS 13 Cb 0.82 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.38 3hgu h LYS 13 CO 0.06 0.69 0.59 0.00 -3.45 0.00 0.00 179.45 177.34 3hgu h ALA 14 N 0.70 1.25 -0.53 5.00 0.00 -0.93 -1.75 119.26 123.00 3hgu h ALA 14 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hgu h ALA 14 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hgu h ALA 14 CO 0.03 0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.91 3hgu h ALA 15 N 1.41 0.69 -0.76 0.00 0.00 -1.31 0.20 119.26 119.47 3hgu h ALA 15 Ca 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hgu h ALA 15 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hgu h ALA 15 CO -0.15 0.27 0.33 0.37 0.00 0.00 0.00 179.25 180.08 3hgu h GLN 16 N 0.71 1.11 0.00 0.00 4.15 -0.69 -2.70 115.11 117.69 3hgu h GLN 16 Ca 0.18 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hgu h GLN 16 Cb 0.16 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3hgu h GLN 16 CO -0.02 0.87 0.00 -0.89 -1.93 0.00 0.00 178.83 176.87 3hgu n ILE 17 N -4.30 0.26 -2.57 2.39 2.08 -0.72 -4.93 119.36 111.58 3hgu n ILE 17 Ca 0.07 0.07 -0.18 0.00 0.56 0.00 0.00 62.75 63.27 3hgu n ILE 17 Cb 0.16 -0.64 0.01 0.00 -0.75 0.00 0.00 39.64 38.42 3hgu n ILE 17 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3hgu n ASN 18 N -1.44 -5.24 -4.30 4.38 4.05 -0.92 -4.93 115.26 106.87 3hgu n ASN 18 Ca 0.08 -0.11 -0.43 0.00 0.45 0.00 0.00 54.58 54.56 3hgu n ASN 18 Cb 0.26 -4.22 0.00 0.00 1.23 0.00 0.00 39.78 37.06 3hgu n ASN 18 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3hgu n ASP 19 N -1.54 5.11 0.07 1.20 -0.08 0.64 -4.79 116.55 117.16 3hgu n ASP 19 Ca -0.16 -3.00 -0.10 0.00 -1.51 0.00 0.00 54.79 50.02 3hgu n ASP 19 Cb 0.63 -1.57 0.01 0.00 2.34 0.00 0.00 41.12 42.53 3hgu n ASP 19 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3hgu h THR 20 N 4.48 1.42 -0.31 5.18 2.02 -1.92 -0.81 112.91 122.99 3hgu h THR 20 Ca 0.36 -2.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.15 3hgu h THR 20 Cb 0.80 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 3hgu h THR 20 CO 1.39 0.70 0.09 0.78 0.37 0.00 0.00 175.52 178.85 3hgu h ASN 21 N 0.20 0.45 -0.59 4.18 2.35 -1.87 -1.54 115.58 118.76 3hgu h ASN 21 Ca -0.05 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 3hgu h ASN 21 Cb 1.42 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 3hgu h ASN 21 CO 0.13 0.54 0.32 -1.13 -1.65 0.00 0.00 177.43 175.64 3hgu h ASN 22 N 0.34 0.73 -0.28 5.81 -0.73 -1.77 -2.36 115.58 117.32 3hgu h ASN 22 Ca 0.10 -0.10 0.07 0.00 1.87 0.00 0.00 56.30 58.24 3hgu h ASN 22 Cb 0.25 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 38.58 3hgu h ASN 22 CO -0.00 0.62 -0.23 0.15 -0.37 0.00 0.00 177.43 177.60 3hgu h PHE 23 N 0.79 -0.60 -0.28 0.67 3.04 -1.02 -0.99 116.94 118.54 3hgu h PHE 23 Ca 0.21 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 3hgu h PHE 23 Cb 0.05 0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 3hgu h PHE 23 CO -0.01 -0.31 0.06 0.28 -2.02 0.00 0.00 178.31 176.32 3hgu h VAL 24 N -0.22 1.22 -0.53 1.41 2.07 -1.13 -1.63 116.25 117.43 3hgu h VAL 24 Ca 0.15 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3hgu h VAL 24 Cb 0.45 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3hgu h VAL 24 CO -0.41 0.24 0.14 1.56 0.02 0.00 0.00 177.57 179.12 3hgu h GLN 25 N 0.29 0.85 -0.77 1.57 4.20 -1.31 0.62 115.11 120.56 3hgu h GLN 25 Ca 0.09 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3hgu h GLN 25 Cb 0.30 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 3hgu h GLN 25 CO 0.00 0.80 0.42 0.00 -0.67 0.00 0.00 178.83 179.38 3hgu h ALA 26 N 1.01 1.29 0.00 3.87 0.00 -1.06 -2.37 119.26 122.00 3hgu h ALA 26 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3hgu h ALA 26 Cb 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hgu h ALA 26 CO 0.00 0.58 -0.58 -0.07 0.00 0.00 0.00 179.25 179.17 3hgu h LEU 27 N 1.07 0.00 -0.35 0.00 3.38 -0.77 -0.07 115.31 118.58 3hgu h LEU 27 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3hgu h LEU 27 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hgu h LEU 27 CO -0.04 0.58 0.16 0.24 0.09 0.00 0.00 178.44 179.47 3hgu h MET 28 N 0.00 0.50 -0.69 1.13 2.86 -0.83 0.75 114.93 118.65 3hgu h MET 28 Ca -0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3hgu h MET 28 Cb 1.42 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.96 3hgu h MET 28 CO 0.08 0.47 0.45 0.00 1.06 0.00 0.00 176.91 178.96 3hgu h ARG 29 N 0.42 0.91 -0.02 1.72 3.08 -1.31 -2.08 114.38 117.09 3hgu h ARG 29 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hgu h ARG 29 Cb 0.14 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3hgu h ARG 29 CO -0.01 0.61 0.02 2.35 -1.07 0.00 0.00 179.97 181.86 3hgu h TRP 30 N 0.93 0.03 0.00 3.04 2.91 -0.81 -1.92 115.95 120.13 3hgu h TRP 30 Ca 0.25 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.20 3hgu h TRP 30 Cb -0.09 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 3hgu h TRP 30 CO -0.02 0.03 -0.32 0.45 -1.03 0.00 0.00 178.44 177.55 3hgu h HIS 31 N 0.02 0.00 -0.11 2.65 3.86 -0.75 -2.66 115.15 118.16 3hgu h HIS 31 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3hgu h HIS 31 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3hgu h HIS 31 CO -0.07 0.32 0.00 1.19 0.86 0.00 0.00 177.93 180.22 3hgu n PHE 32 N -3.24 0.15 -3.60 2.45 3.72 -0.79 -4.08 117.46 112.06 3hgu n PHE 32 Ca 0.02 -0.30 -0.36 0.00 -0.05 0.00 0.00 57.45 56.76 3hgu n PHE 32 Cb 0.61 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 3hgu n PHE 32 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3hgu s SER 33 N -0.80 6.65 0.60 4.37 0.01 -0.73 -4.96 113.70 118.85 3hgu s SER 33 Ca 0.10 0.78 0.33 0.00 1.31 0.00 0.00 55.95 58.47 3hgu s SER 33 Cb 0.06 -2.18 1.94 0.00 0.21 0.00 0.00 66.02 66.05 3hgu s SER 33 CO 0.08 0.25 2.28 0.11 0.41 0.00 0.00 173.24 176.37 3hgu h LYS 34 N 4.14 0.00 0.14 12.44 1.79 -1.92 -0.88 116.57 132.29 3hgu h LYS 34 Ca -0.50 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.67 3hgu h LYS 34 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3hgu h LYS 34 CO 0.64 0.00 -1.42 0.93 -1.08 0.00 0.00 179.45 178.52 3hgu h GLU 35 N 0.00 0.30 0.00 3.15 3.07 -1.94 -3.42 114.58 115.75 3hgu h GLU 35 Ca -0.00 -0.52 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3hgu h GLU 35 Cb 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3hgu h GLU 35 CO 0.00 1.21 -0.97 0.25 -1.40 0.00 0.00 179.01 178.10 3hgu n THR 36 N -3.52 0.00 -1.79 1.13 -2.24 -1.03 -4.11 114.28 102.71 3hgu n THR 36 Ca -0.14 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 3hgu n THR 36 Cb 1.05 0.52 0.08 0.00 -2.10 0.00 0.00 70.33 69.88 3hgu n THR 36 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hgu s GLY 37 N -2.12 1.61 0.34 3.38 0.00 -0.36 -0.73 107.32 109.43 3hgu s GLY 37 Ca -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 44.72 44.00 3hgu s GLY 37 CO 0.10 -0.01 0.98 -1.35 0.00 0.00 0.00 173.10 172.82 3hgu s SER 38 N -4.32 7.18 0.32 1.64 1.04 -1.26 -2.19 113.70 116.11 3hgu s SER 38 Ca 0.61 1.91 0.09 0.00 0.48 0.00 0.00 55.95 59.04 3hgu s SER 38 Cb -0.12 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.26 3hgu s SER 38 CO 0.51 -0.18 1.76 -0.65 0.98 0.00 0.00 173.24 175.66 3hgu h PRO 39 N 3.02 0.63 0.55 4.02 0.11 -1.72 -0.59 132.00 138.02 3hgu h PRO 39 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3hgu h PRO 39 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3hgu h PRO 39 CO 0.64 0.42 -0.35 0.35 -0.21 0.00 0.00 178.00 178.85 3hgu h PHE 40 N 0.65 -0.94 -0.11 0.65 3.57 -1.45 0.12 116.94 119.43 3hgu h PHE 40 Ca 0.60 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.95 3hgu h PHE 40 Cb 1.08 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 3hgu h PHE 40 CO -0.00 -0.53 -0.54 -1.49 -2.23 0.00 0.00 178.31 173.51 3hgu h TRP 41 N -0.86 0.39 -0.79 0.41 4.06 -1.78 -1.46 115.95 115.92 3hgu h TRP 41 Ca -0.06 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 60.74 3hgu h TRP 41 Cb 0.71 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 3hgu h TRP 41 CO -0.11 0.78 0.46 -0.07 -3.56 0.00 0.00 178.44 175.94 3hgu h LEU 42 N 0.24 0.96 -0.85 -4.49 3.38 -1.00 -1.31 115.31 112.24 3hgu h LEU 42 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hgu h LEU 42 Cb 1.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hgu h LEU 42 CO 0.09 0.75 -0.07 1.23 0.09 0.00 0.00 178.44 180.53 3hgu h GLY 43 N 1.12 0.00 1.10 0.83 0.00 -0.31 -3.16 103.07 102.65 3hgu h GLY 43 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3hgu h GLY 43 CO -0.05 0.00 -1.02 -0.33 0.00 0.00 0.00 176.54 175.14 3hgu h MET 44 N 0.00 0.00 -0.54 4.80 2.86 -0.52 -3.41 114.93 118.12 3hgu h MET 44 Ca -0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3hgu h MET 44 Cb 0.76 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.31 3hgu h MET 44 CO 0.01 0.09 -0.33 -0.09 1.06 0.00 0.00 176.91 177.65 3hgu h ARG 45 N 0.00 -0.18 0.00 1.72 2.43 -1.23 -1.18 114.38 115.95 3hgu h ARG 45 Ca -0.04 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hgu h ARG 45 Cb 1.16 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hgu h ARG 45 CO 0.01 -0.12 -0.04 0.93 -1.51 0.00 0.00 179.97 179.25 3hgu h GLU 46 N -0.18 0.00 -0.00 0.20 4.39 -1.80 -1.97 114.58 115.21 3hgu h GLU 46 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3hgu h GLU 46 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3hgu h GLU 46 CO -0.64 0.04 -0.19 1.04 -1.16 0.00 0.00 179.01 178.10 3hgu n GLN 47 N -3.22 0.63 -2.57 2.33 6.02 -0.46 -4.87 117.38 115.24 3hgu n GLN 47 Ca -0.01 -0.28 -0.35 0.00 -0.01 0.00 0.00 57.00 56.35 3hgu n GLN 47 Cb 0.23 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 3hgu n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hgu s LEU 48 N -2.57 3.93 -0.20 1.08 1.43 -0.74 -4.95 118.68 116.66 3hgu s LEU 48 Ca 0.25 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 55.35 3hgu s LEU 48 Cb 0.19 -4.47 0.50 0.00 0.03 0.00 0.00 46.19 42.45 3hgu s LEU 48 CO 0.52 -0.68 1.40 0.59 0.23 0.00 0.00 176.35 178.41 3hgu n ASN 49 N -0.72 3.89 -3.79 2.29 3.02 -1.26 -4.86 115.26 113.83 3hgu n ASN 49 Ca 0.08 -2.74 -0.07 0.00 -0.03 0.00 0.00 54.58 51.82 3hgu n ASN 49 Cb 0.52 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 3hgu n ASN 49 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hgu s PHE 50 N -2.14 -0.22 -0.35 3.10 -0.12 -1.26 -5.14 117.98 111.86 3hgu s PHE 50 Ca 0.36 -0.18 -0.12 0.00 -0.05 0.00 0.00 56.93 56.93 3hgu s PHE 50 Cb 0.28 0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 43.35 3hgu s PHE 50 CO 0.09 -1.11 0.23 0.34 -0.05 0.00 0.00 175.22 174.71 3hgu s ASP 51 N -2.90 5.92 0.48 1.98 -1.08 -1.26 -4.98 116.67 114.83 3hgu s ASP 51 Ca 0.10 -0.56 0.18 0.00 -0.52 0.00 0.00 52.55 51.75 3hgu s ASP 51 Cb -0.05 -2.10 1.17 0.00 -1.46 0.00 0.00 42.92 40.49 3hgu s ASP 51 CO 0.04 -0.27 2.05 1.55 0.52 0.00 0.00 175.17 179.06 3hgu h PRO 52 N 8.47 0.00 0.06 4.34 0.13 -1.95 0.27 132.00 143.32 3hgu h PRO 52 Ca -0.30 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.68 3hgu h PRO 52 Cb 1.15 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.29 3hgu h PRO 52 CO 0.65 0.13 -0.62 0.82 -0.23 0.00 0.00 178.00 178.74 3hgu h ILE 53 N 0.00 1.50 -0.00 -3.56 2.04 -1.89 -3.22 117.51 112.38 3hgu h ILE 53 Ca -0.00 -2.29 -0.25 0.00 1.00 0.00 0.00 64.86 63.32 3hgu h ILE 53 Cb 0.25 2.94 0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3hgu h ILE 53 CO 0.02 0.65 -1.00 0.11 0.00 0.00 0.00 178.15 177.93 3hgu h LYS 54 N -0.32 0.60 -0.13 2.37 6.56 -1.91 -3.37 116.57 120.37 3hgu h LYS 54 Ca -0.10 -0.63 0.00 0.00 -1.06 0.00 0.00 60.65 58.86 3hgu h LYS 54 Cb 1.41 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 33.25 3hgu h LYS 54 CO 0.12 1.24 0.00 -0.25 -2.06 0.00 0.00 179.45 178.50 3hgu n ASP 55 N -3.82 2.72 -4.00 0.86 8.00 0.91 -4.86 116.55 116.36 3hgu n ASP 55 Ca -0.09 -1.81 -0.31 0.00 0.71 0.00 0.00 54.79 53.29 3hgu n ASP 55 Cb 0.86 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 41.73 3hgu n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hgu s VAL 56 N -1.41 1.80 -0.00 2.53 1.01 -1.21 -4.94 120.40 118.16 3hgu s VAL 56 Ca 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3hgu s VAL 56 Cb 0.16 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3hgu s VAL 56 CO 0.23 -0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.58 3hgu n LYS 57 N 4.58 0.09 -4.21 2.72 4.76 -1.26 -4.60 118.16 120.23 3hgu n LYS 57 Ca -0.13 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.18 3hgu n LYS 57 Cb 0.43 -1.00 -0.10 0.00 -1.84 0.00 0.00 35.03 32.52 3hgu n LYS 57 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hgu s THR 58 N -2.01 0.04 0.22 -0.18 -4.23 -1.26 -4.51 115.64 103.71 3hgu s THR 58 Ca -0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 3hgu s THR 58 Cb 0.00 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.49 3hgu s THR 58 CO 0.01 0.00 1.84 0.40 -0.54 0.00 0.00 174.62 176.33 3hgu h ILE 59 N 2.58 1.05 -0.82 2.99 1.08 -1.94 -1.98 117.51 120.46 3hgu h ILE 59 Ca -0.36 -0.29 0.09 0.00 -0.39 0.00 0.00 64.86 63.92 3hgu h ILE 59 Cb 1.25 0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 35.07 3hgu h ILE 59 CO 0.53 0.15 0.54 0.78 -0.69 0.00 0.00 178.15 179.46 3hgu h ASN 60 N 0.84 0.71 0.79 1.72 2.35 -2.01 -1.82 115.58 118.17 3hgu h ASN 60 Ca 0.31 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3hgu h ASN 60 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3hgu h ASN 60 CO -0.14 0.42 0.00 0.44 -1.65 0.00 0.00 177.43 176.50 3hgu h ASP 61 N 0.78 0.00 0.34 5.81 3.32 -1.73 -2.31 116.42 122.63 3hgu h ASP 61 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3hgu h ASP 61 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hgu h ASP 61 CO -0.15 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.30 3hgu h LEU 62 N 0.00 0.00 -0.30 1.55 3.38 -1.31 -2.39 115.31 116.25 3hgu h LEU 62 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgu h LEU 62 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hgu h LEU 62 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 3hgu n ARG 63 N -2.50 0.04 0.22 1.13 1.74 -0.87 -1.32 116.66 115.10 3hgu n ARG 63 Ca -0.00 0.46 0.10 0.00 -0.77 0.00 0.00 57.85 57.65 3hgu n ARG 63 Cb 0.13 -1.61 0.39 0.00 -1.02 0.00 0.00 32.46 30.35 3hgu n ARG 63 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hgu h GLN 64 N 0.00 0.00 -7.12 5.56 4.20 -1.67 -3.46 115.11 112.62 3hgu h GLN 64 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 3hgu h GLN 64 Cb 0.08 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.90 3hgu h GLN 64 CO 0.00 0.19 0.38 -0.06 -0.67 0.00 0.00 178.83 178.67 3hgu s PHE 65 N -3.47 3.05 0.10 2.96 0.08 -0.43 -4.97 117.98 115.29 3hgu s PHE 65 Ca 0.02 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.61 3hgu s PHE 65 Cb 0.09 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.48 3hgu s PHE 65 CO 0.64 -0.85 0.26 -1.12 -0.10 0.00 0.00 175.22 174.06 3hgu s SER 66 N -2.35 6.39 0.05 1.36 0.01 -1.26 -4.86 113.70 113.03 3hgu s SER 66 Ca 0.65 0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.94 3hgu s SER 66 Cb -0.15 -1.98 -0.09 0.00 0.21 0.00 0.00 66.02 64.00 3hgu s SER 66 CO 0.26 0.12 1.92 -0.62 0.41 0.00 0.00 173.24 175.33 3hgu s ASP 67 N -2.63 6.46 -0.11 2.44 -1.08 -1.25 -4.78 116.67 115.72 3hgu s ASP 67 Ca 0.36 2.66 0.16 0.00 -0.52 0.00 0.00 52.55 55.21 3hgu s ASP 67 Cb -0.12 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.37 3hgu s ASP 67 CO 0.27 -1.04 1.49 2.30 0.52 0.00 0.00 175.17 178.72 3hgu n ILE 68 N 5.38 1.84 -0.30 4.11 -6.64 -1.26 -4.71 119.36 117.79 3hgu n ILE 68 Ca 0.19 -1.38 0.28 0.00 -1.77 0.00 0.00 62.75 60.07 3hgu n ILE 68 Cb 0.41 0.07 0.62 0.00 -1.44 0.00 0.00 39.64 39.30 3hgu n ILE 68 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3hgu h SER 69 N 2.89 0.24 0.30 7.28 0.02 -1.92 0.91 113.55 123.26 3hgu h SER 69 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hgu h SER 69 Cb 1.32 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 3hgu h SER 69 CO 0.19 0.05 -0.14 1.12 -1.14 0.00 0.00 176.83 176.91 3hgu h HIS 70 N 0.21 0.00 0.00 3.45 2.07 -2.02 -1.71 115.15 117.16 3hgu h HIS 70 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 3hgu h HIS 70 Cb 1.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.76 3hgu h HIS 70 CO -0.00 0.14 0.00 0.00 -3.07 0.00 0.00 177.93 175.00 3hgu n LEU 72 N -2.68 0.41 0.04 0.00 4.77 -0.64 -1.38 117.00 117.53 3hgu n LEU 72 Ca 0.01 0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 3hgu n LEU 72 Cb 0.28 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 3hgu n LEU 72 CO 0.24 0.08 0.11 0.03 -1.33 0.00 0.00 177.39 176.52 3hgu h ARG 73 N 0.52 0.53 -0.00 3.23 3.08 -1.76 -0.10 114.38 119.88 3hgu h ARG 73 Ca 0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3hgu h ARG 73 Cb 0.33 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hgu h ARG 73 CO 0.00 1.25 -0.13 1.04 -1.07 0.00 0.00 179.97 181.06 3hgu n GLN 74 N -4.01 2.83 -2.03 0.04 6.02 -1.21 -4.77 117.38 114.25 3hgu n GLN 74 Ca -0.12 -0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 56.07 3hgu n GLN 74 Cb 0.82 -0.90 -0.03 0.00 1.02 0.00 0.00 30.24 31.14 3hgu n GLN 74 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hgu s GLU 75 N -1.02 4.22 0.15 -1.09 2.56 -0.48 -4.92 118.70 118.13 3hgu s GLU 75 Ca 0.04 2.20 -0.33 0.00 0.00 0.00 0.00 54.97 56.88 3hgu s GLU 75 Cb 0.04 -3.62 -0.13 0.00 2.00 0.00 0.00 34.13 32.43 3hgu s GLU 75 CO 0.14 -0.69 1.70 -2.30 -0.56 0.00 0.00 175.26 173.55 3hgu n PRO 76 N 5.64 2.49 0.01 4.30 -0.02 -1.26 -4.86 135.00 141.30 3hgu n PRO 76 Ca 0.15 0.90 0.20 0.00 -2.02 0.00 0.00 63.50 62.74 3hgu n PRO 76 Cb 0.42 -2.73 0.71 0.00 -0.02 0.00 0.00 33.50 31.88 3hgu n PRO 76 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3hgu h VAL 77 N 4.00 0.67 0.00 -1.45 -1.51 -1.92 -0.65 116.25 115.39 3hgu h VAL 77 Ca -0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.99 3hgu h VAL 77 Cb 1.23 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 3hgu h VAL 77 CO 0.93 0.00 -0.17 0.00 -1.23 0.00 0.00 177.57 177.10 3hgu h ALA 78 N 1.71 1.10 0.00 5.19 0.00 -1.99 -1.86 119.26 123.40 3hgu h ALA 78 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hgu h ALA 78 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hgu h ALA 78 CO -0.00 0.21 0.00 -0.91 0.00 0.00 0.00 179.25 178.55 3hgu h ASN 79 N 0.00 0.00 1.13 0.00 -0.26 -1.47 -2.64 115.58 112.33 3hgu h ASN 79 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hgu h ASN 79 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 3hgu h ASN 79 CO 0.02 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.57 3hgu n LEU 80 N -2.36 0.29 -4.62 1.61 4.77 -0.70 -1.02 117.00 114.97 3hgu n LEU 80 Ca 0.01 0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 3hgu n LEU 80 Cb 0.22 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3hgu n LEU 80 CO 0.20 -0.08 0.79 -0.69 -1.33 0.00 0.00 177.39 176.27 3hgu s VAL 81 N -3.04 4.60 0.19 4.08 1.01 -1.00 -4.82 120.40 121.42 3hgu s VAL 81 Ca 0.12 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 3hgu s VAL 81 Cb 0.16 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 3hgu s VAL 81 CO 0.54 -0.46 1.41 -2.84 0.00 0.00 0.00 175.10 173.75 3hgu s PRO 82 N 3.42 4.31 0.57 2.72 0.02 -1.26 -4.18 135.00 140.60 3hgu s PRO 82 Ca 0.39 2.18 0.30 0.00 0.02 0.00 0.00 61.00 63.89 3hgu s PRO 82 Cb -0.12 -3.18 1.74 0.00 0.02 0.00 0.00 34.50 32.96 3hgu s PRO 82 CO 0.16 -0.41 2.21 1.96 -0.33 0.00 0.00 177.00 180.59 3hgu h GLN 83 N 5.87 0.00 0.00 5.54 4.20 -0.82 -2.66 115.11 127.23 3hgu h GLN 83 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3hgu h GLN 83 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3hgu h GLN 83 CO 0.82 0.04 0.00 0.78 -0.67 0.00 0.00 178.83 179.80 3hgu h GLY 84 N 0.27 0.00 -2.05 3.46 0.00 -1.08 -3.46 103.07 100.21 3hgu h GLY 84 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3hgu h GLY 84 CO 0.00 0.00 0.41 1.08 0.00 0.00 0.00 176.54 178.04 3hgu s LEU 85 N -5.39 3.75 0.50 3.11 1.43 -1.01 -4.49 118.68 116.58 3hgu s LEU 85 Ca 0.03 2.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.98 3hgu s LEU 85 Cb 0.09 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.67 3hgu s LEU 85 CO 0.49 -1.10 1.40 -2.16 0.23 0.00 0.00 176.35 175.20 3hgu s PRO 86 N -3.33 3.40 0.57 1.29 0.04 -1.26 -4.86 135.00 130.85 3hgu s PRO 86 Ca 0.71 2.33 0.30 0.00 0.04 0.00 0.00 61.00 64.38 3hgu s PRO 86 Cb -0.21 -2.45 1.45 0.00 0.04 0.00 0.00 34.50 33.33 3hgu s PRO 86 CO 0.26 -1.01 1.86 0.00 0.04 0.00 0.00 177.00 178.15 3hgu h ALA 87 N 1.88 2.47 0.00 8.56 0.00 -1.94 0.18 119.26 130.42 3hgu h ALA 87 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hgu h ALA 87 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hgu h ALA 87 CO 0.59 -0.92 0.00 -3.47 0.00 0.00 0.00 179.25 175.45 3hgu n ASP 88 N -3.89 0.00 0.08 0.00 2.03 -1.26 -4.49 116.55 109.01 3hgu n ASP 88 Ca 0.13 -0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.13 3hgu n ASP 88 Cb 0.82 -0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 40.94 3hgu n ASP 88 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3hgu h SER 89 N 0.00 -0.09 -4.48 1.67 0.02 -0.97 -3.48 113.55 106.21 3hgu h SER 89 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3hgu h SER 89 Cb 0.14 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3hgu h SER 89 CO 0.00 -0.03 -0.87 1.57 -1.14 0.00 0.00 176.83 176.36 3hgu n HIS 90 N -5.12 -3.00 -2.52 3.45 -0.00 -1.26 -4.52 115.22 102.25 3hgu n HIS 90 Ca -0.08 1.49 -0.40 0.00 -0.00 0.00 0.00 57.72 58.74 3hgu n HIS 90 Cb 0.09 -3.28 -0.05 0.00 -0.00 0.00 0.00 29.99 26.75 3hgu n HIS 90 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3hgu s PRO 91 N -1.02 4.63 -0.05 1.57 0.04 -1.26 -4.60 135.00 134.31 3hgu s PRO 91 Ca -0.08 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.74 3hgu s PRO 91 Cb 0.01 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 3hgu s PRO 91 CO 0.56 0.22 -0.19 -0.65 0.04 0.00 0.00 177.00 176.99 3hgu s GLN 92 N -1.52 2.45 -0.13 4.56 -0.21 0.12 -4.95 119.66 119.98 3hgu s GLN 92 Ca 0.45 -0.78 -0.17 0.00 0.02 0.00 0.00 55.36 54.88 3hgu s GLN 92 Cb -0.30 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 3hgu s GLN 92 CO 0.38 0.56 0.44 0.08 -2.12 0.00 0.00 175.29 174.63 3hgu s VAL 93 N -0.58 5.21 0.25 1.09 1.01 -1.26 -0.33 120.40 125.79 3hgu s VAL 93 Ca 0.08 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3hgu s VAL 93 Cb -0.11 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3hgu s VAL 93 CO 0.01 0.33 -0.01 -0.31 0.00 0.00 0.00 175.10 175.12 3hgu s TYR 94 N 0.65 1.68 0.03 5.22 2.02 -0.27 -4.85 117.35 121.83 3hgu s TYR 94 Ca 0.24 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 56.03 3hgu s TYR 94 Cb -0.15 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 3hgu s TYR 94 CO 0.09 0.03 0.03 -1.21 -1.57 0.00 0.00 175.55 172.92 3hgu s GLU 95 N -3.84 0.46 0.15 -0.62 2.02 0.38 -0.79 118.70 116.45 3hgu s GLU 95 Ca 0.30 -0.69 -0.08 0.00 0.02 0.00 0.00 54.97 54.51 3hgu s GLU 95 Cb 0.06 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 3hgu s GLU 95 CO 0.10 -0.10 0.26 -1.54 0.02 0.00 0.00 175.26 174.00 3hgu s SER 96 N -1.82 0.07 -0.00 -0.19 1.04 -0.85 -4.66 113.70 107.29 3hgu s SER 96 Ca -0.10 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3hgu s SER 96 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3hgu s SER 96 CO -0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3hgu n GLY 97 N -0.19 0.47 3.26 7.32 0.00 -1.26 0.39 105.19 115.19 3hgu n GLY 97 Ca -0.08 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3hgu n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hgu s GLY 98 N -2.22 1.79 0.00 -0.02 0.00 -1.26 -4.35 107.32 101.26 3hgu s GLY 98 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3hgu s GLY 98 CO 0.00 0.71 0.00 0.00 0.00 0.00 0.00 173.10 173.81 3hgu n ALA 102 N 4.77 0.00 -2.29 3.20 0.00 -1.26 -5.05 120.51 119.89 3hgu n ALA 102 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 3hgu n ALA 102 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 3hgu n ALA 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hgu s PRO 103 N -0.12 2.99 -0.07 0.00 0.04 -1.26 -5.09 135.00 131.49 3hgu s PRO 103 Ca 0.00 -0.65 -0.13 0.00 0.04 0.00 0.00 61.00 60.26 3hgu s PRO 103 Cb 0.00 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 3hgu s PRO 103 CO 0.00 -0.28 0.34 0.15 0.04 0.00 0.00 177.00 177.25 3hgu s LYS 104 N -4.51 3.94 -0.16 4.56 1.02 0.16 -4.38 119.74 120.36 3hgu s LYS 104 Ca 0.49 0.24 -0.05 0.00 0.02 0.00 0.00 55.97 56.67 3hgu s LYS 104 Cb -0.10 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3hgu s LYS 104 CO 0.37 0.57 0.00 0.71 -0.92 0.00 0.00 175.35 176.07 3hgu s TYR 105 N -0.59 3.12 0.25 3.18 1.51 -0.05 -2.01 117.35 122.76 3hgu s TYR 105 Ca 0.21 -0.14 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 3hgu s TYR 105 Cb -0.15 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 3hgu s TYR 105 CO 0.09 0.06 -0.01 0.14 -1.11 0.00 0.00 175.55 174.72 3hgu s VAL 106 N 0.31 1.17 -0.02 0.71 -7.23 0.03 -4.85 120.40 110.52 3hgu s VAL 106 Ca -0.01 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3hgu s VAL 106 Cb -0.13 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 3hgu s VAL 106 CO 0.02 -0.29 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.69 3hgu s VAL 107 N -3.33 3.11 0.21 1.32 1.01 -1.26 -1.11 120.40 120.35 3hgu s VAL 107 Ca 0.29 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3hgu s VAL 107 Cb 0.06 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3hgu s VAL 107 CO 0.10 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 175.66 3hgu s ALA 108 N -0.82 1.73 0.06 5.51 0.00 0.56 -4.94 121.76 123.86 3hgu s ALA 108 Ca 0.13 -1.68 0.05 0.00 0.00 0.00 0.00 51.96 50.46 3hgu s ALA 108 Cb -0.11 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3hgu s ALA 108 CO 0.03 -0.18 -0.14 0.71 0.00 0.00 0.00 175.76 176.18 3hgu s TYR 109 N -3.36 1.18 0.21 0.00 2.02 -1.26 -0.70 117.35 115.44 3hgu s TYR 109 Ca 0.25 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 3hgu s TYR 109 Cb 0.04 -0.67 0.28 0.00 -0.40 0.00 0.00 41.96 41.21 3hgu s TYR 109 CO 0.06 0.04 1.75 -0.44 -1.57 0.00 0.00 175.55 175.40 3hgu h ASP 110 N 4.48 0.26 -0.35 2.29 3.32 -1.81 -1.82 116.42 122.78 3hgu h ASP 110 Ca -0.40 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3hgu h ASP 110 Cb 1.19 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3hgu h ASP 110 CO 0.41 0.15 0.21 0.00 -1.72 0.00 0.00 179.24 178.30 3hgu h ALA 111 N 1.42 1.68 0.03 3.45 0.00 -1.97 1.00 119.26 124.86 3hgu h ALA 111 Ca 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hgu h ALA 111 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hgu h ALA 111 CO -0.30 0.28 -0.01 2.35 0.00 0.00 0.00 179.25 181.56 3hgu h TRP 112 N 0.50 -0.04 -0.59 0.00 2.91 -1.79 -1.87 115.95 115.08 3hgu h TRP 112 Ca 0.13 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 3hgu h TRP 112 Cb -0.00 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 3hgu h TRP 112 CO 0.00 0.47 0.37 0.82 -1.03 0.00 0.00 178.44 179.06 3hgu h ILE 113 N -0.56 1.16 -0.03 2.65 1.08 -1.00 0.01 117.51 120.82 3hgu h ILE 113 Ca -0.00 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 3hgu h ILE 113 Cb 0.52 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3hgu h ILE 113 CO 0.01 0.17 0.01 -0.33 -0.69 0.00 0.00 178.15 177.32 3hgu h GLU 114 N 0.81 0.05 -0.41 2.37 5.08 -0.82 -1.35 114.58 120.31 3hgu h GLU 114 Ca 0.22 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3hgu h GLU 114 Cb -0.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3hgu h GLU 114 CO -0.04 0.22 0.20 0.00 -1.00 0.00 0.00 179.01 178.38 3hgu h ALA 115 N 0.83 0.51 -0.57 3.43 0.00 -0.90 0.69 119.26 123.25 3hgu h ALA 115 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hgu h ALA 115 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hgu h ALA 115 CO -0.00 -0.17 0.36 1.25 0.00 0.00 0.00 179.25 180.69 3hgu h LEU 116 N 0.40 0.60 -0.59 0.00 5.85 -0.94 -2.04 115.31 118.58 3hgu h LEU 116 Ca 0.18 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 3hgu h LEU 116 Cb 0.10 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3hgu h LEU 116 CO -0.13 0.43 -0.45 0.40 -0.34 0.00 0.00 178.44 178.34 3hgu h ILE 117 N 0.72 1.30 -0.89 4.05 1.08 -0.99 -0.23 117.51 122.55 3hgu h ILE 117 Ca 0.22 -1.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 3hgu h ILE 117 Cb -0.02 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3hgu h ILE 117 CO -0.08 0.52 0.53 0.28 -0.69 0.00 0.00 178.15 178.71 3hgu h SER 118 N 0.48 1.08 0.06 1.72 0.02 -0.73 0.25 113.55 116.44 3hgu h SER 118 Ca 0.03 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hgu h SER 118 Cb 0.97 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3hgu h SER 118 CO 0.09 0.84 -0.03 -0.25 -1.14 0.00 0.00 176.83 176.34 3hgu h TRP 119 N 1.23 -0.08 -0.54 3.45 7.01 -1.28 -2.01 115.95 123.73 3hgu h TRP 119 Ca 0.32 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 3hgu h TRP 119 Cb -0.04 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 3hgu h TRP 119 CO 0.00 0.01 0.25 -0.09 -2.79 0.00 0.00 178.44 175.83 3hgu h ARG 120 N -0.15 0.77 -0.26 2.65 2.43 -0.42 -2.49 114.38 116.90 3hgu h ARG 120 Ca -0.01 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3hgu h ARG 120 Cb 0.13 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3hgu h ARG 120 CO 0.01 0.60 0.00 -1.33 -1.51 0.00 0.00 179.97 177.75 3hgu n MET 121 N -4.36 2.35 -0.17 0.20 2.81 0.02 -4.56 117.12 113.40 3hgu n MET 121 Ca 0.05 -2.01 0.22 0.00 -1.81 0.00 0.00 57.70 54.15 3hgu n MET 121 Cb 0.13 -1.49 0.62 0.00 -0.71 0.00 0.00 33.22 31.77 3hgu n MET 121 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hgu h SER 122 N 4.19 0.19 0.28 7.83 4.64 -0.88 0.08 113.55 129.88 3hgu h SER 122 Ca 0.00 0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 3hgu h SER 122 Cb 0.91 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3hgu h SER 122 CO 0.00 0.08 -1.12 1.23 -0.87 0.00 0.00 176.83 176.15 3hgu h GLY 123 N 0.19 0.56 0.57 -0.77 0.00 -1.82 -3.24 103.07 98.57 3hgu h GLY 123 Ca 0.41 -1.11 0.12 0.00 0.00 0.00 0.00 47.33 46.74 3hgu h GLY 123 CO -0.08 0.98 0.60 -1.82 0.00 0.00 0.00 176.54 176.22 3hgu h TYR 124 N 0.24 1.01 -0.03 5.60 3.20 -1.31 0.72 116.97 126.40 3hgu h TYR 124 Ca -0.14 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.77 3hgu h TYR 124 Cb 1.78 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.73 3hgu h TYR 124 CO 0.09 0.42 0.20 0.37 -1.64 0.00 0.00 178.16 177.60 3hgu h GLN 125 N 0.90 0.00 0.00 1.82 4.15 -1.47 -3.14 115.11 117.36 3hgu h GLN 125 Ca 0.46 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.88 3hgu h GLN 125 Cb 0.51 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 3hgu h GLN 125 CO -0.22 0.00 -1.20 0.72 -1.93 0.00 0.00 178.83 176.20 3hgu n HIS 126 N -3.08 0.00 -2.43 3.99 8.25 0.10 -5.06 115.22 117.00 3hgu n HIS 126 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 3hgu n HIS 126 Cb 0.27 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 3hgu n HIS 126 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hgu s ARG 127 N -2.29 4.37 0.16 -0.41 3.52 -0.38 -4.93 118.95 118.99 3hgu s ARG 127 Ca -0.02 1.77 -0.31 0.00 -0.13 0.00 0.00 55.73 57.04 3hgu s ARG 127 Cb 0.03 -2.90 -0.09 0.00 -1.56 0.00 0.00 34.95 30.43 3hgu s ARG 127 CO 0.18 -0.02 1.42 -1.25 -0.81 0.00 0.00 175.30 174.81 3hgu s PRO 128 N -1.92 4.30 -1.22 5.12 0.04 -1.26 -3.52 135.00 136.55 3hgu s PRO 128 Ca 0.51 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.59 3hgu s PRO 128 Cb -0.30 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 3hgu s PRO 128 CO 0.38 -0.44 0.71 0.41 0.04 0.00 0.00 177.00 178.10 3hgu n GLY 129 N 3.16 -0.72 3.68 0.56 0.00 -1.26 -4.87 105.19 105.74 3hgu n GLY 129 Ca 0.10 0.34 -0.45 0.00 0.00 0.00 0.00 46.02 46.02 3hgu n GLY 129 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hgu n ARG 130 N -4.18 2.07 -1.68 1.61 1.85 -1.23 -4.97 116.66 110.13 3hgu n ARG 130 Ca -0.17 0.74 -0.34 0.00 -1.00 0.00 0.00 57.85 57.08 3hgu n ARG 130 Cb 0.63 -2.40 0.06 0.00 -1.05 0.00 0.00 32.46 29.70 3hgu n ARG 130 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3hgu s PRO 131 N -0.46 2.62 0.04 2.89 0.04 -1.26 -5.08 135.00 133.79 3hgu s PRO 131 Ca 0.68 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 3hgu s PRO 131 Cb -0.64 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3hgu s PRO 131 CO 0.50 -1.42 -0.02 -1.54 0.04 0.00 0.00 177.00 174.56 3hgu s SER 132 N -2.33 0.42 0.00 6.66 1.04 -1.26 -4.96 113.70 113.26 3hgu s SER 132 Ca 0.70 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3hgu s SER 132 Cb -0.24 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3hgu s SER 132 CO 0.42 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3hgu n GLY 133 N 0.43 -1.20 3.77 7.32 0.00 -0.25 -4.92 105.19 110.34 3hgu n GLY 133 Ca -0.16 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 3hgu n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hgu s ASN 134 N -1.65 6.18 -0.13 1.61 0.01 -1.26 -2.05 114.94 117.65 3hgu s ASN 134 Ca 0.00 2.34 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 3hgu s ASN 134 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3hgu s ASN 134 CO 0.00 -0.91 -0.14 -0.89 -1.51 0.00 0.00 177.10 173.66 3hgu s THR 135 N -1.51 3.01 -0.47 1.60 2.01 -0.37 -1.10 115.64 118.81 3hgu s THR 135 Ca 0.63 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.81 3hgu s THR 135 Cb -0.30 -2.26 0.09 0.00 0.01 0.00 0.00 72.50 70.04 3hgu s THR 135 CO 0.36 0.53 0.38 -0.22 -0.69 0.00 0.00 174.62 174.98 3hgu s LEU 136 N 0.31 5.63 -0.63 4.42 2.96 0.19 -0.28 118.68 131.29 3hgu s LEU 136 Ca -0.11 -1.47 -0.17 0.00 -0.22 0.00 0.00 54.13 52.16 3hgu s LEU 136 Cb -0.16 -2.14 0.13 0.00 0.50 0.00 0.00 46.19 44.52 3hgu s LEU 136 CO 0.06 -0.66 0.68 0.00 -1.32 0.00 0.00 176.35 175.11 3hgu s ALA 137 N 1.58 3.56 -1.55 5.97 0.00 0.34 -1.79 121.76 129.86 3hgu s ALA 137 Ca 0.04 -2.48 -0.10 0.00 0.00 0.00 0.00 51.96 49.41 3hgu s ALA 137 Cb -0.25 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 3hgu s ALA 137 CO 0.05 -2.29 2.72 0.00 0.00 0.00 0.00 175.76 176.23 3hgu n ALA 138 N 5.76 7.03 -2.21 0.00 0.00 0.41 -4.13 120.51 127.37 3hgu n ALA 138 Ca -0.06 -3.69 -0.09 0.00 0.00 0.00 0.00 53.44 49.61 3hgu n ALA 138 Cb 0.43 -3.33 -0.10 0.00 0.00 0.00 0.00 19.45 16.45 3hgu n ALA 138 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3hgu s ILE 139 N 1.91 0.41 0.43 0.00 -5.25 -1.26 -4.62 121.20 112.83 3hgu s ILE 139 Ca 0.63 -1.77 -0.26 0.00 -0.99 0.00 0.00 60.65 58.26 3hgu s ILE 139 Cb 0.17 -1.47 -0.09 0.00 2.95 0.00 0.00 42.46 44.02 3hgu s ILE 139 CO -0.07 -0.89 1.46 -2.84 -1.79 0.00 0.00 174.94 170.81 3hgu s PRO 140 N -3.63 3.78 0.00 0.37 0.02 -1.26 -4.72 135.00 129.55 3hgu s PRO 140 Ca 0.07 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3hgu s PRO 140 Cb 0.05 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3hgu s PRO 140 CO -0.07 -0.77 0.00 0.25 -0.33 0.00 0.00 177.00 176.08 3hgu n THR 141 N -0.04 0.00 0.00 0.99 -2.24 -1.26 -2.95 114.28 108.78 3hgu n THR 141 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3hgu n THR 141 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3hgu n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgu n GLY 142 N 5.00 3.02 0.00 3.38 0.00 -1.26 -0.96 105.19 114.37 3hgu n GLY 142 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3hgu n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hgu n PRO 143 N 14.00 1.00 -3.57 1.61 -0.04 -1.26 -4.84 135.00 141.90 3hgu n PRO 143 Ca 0.00 -0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.08 3hgu n PRO 143 Cb 0.00 -1.17 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 3hgu n PRO 143 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3hgu s HIS 144 N -2.00 3.33 0.32 0.54 3.76 -0.13 -0.47 115.29 120.63 3hgu s HIS 144 Ca 0.17 0.35 0.24 0.00 -0.15 0.00 0.00 55.06 55.66 3hgu s HIS 144 Cb 0.08 -2.36 1.17 0.00 1.11 0.00 0.00 32.58 32.58 3hgu s HIS 144 CO 0.13 0.03 1.96 0.97 -0.85 0.00 0.00 174.74 176.97 3hgu h ILE 145 N 5.04 0.67 -0.70 0.60 2.10 -1.87 -2.47 117.51 120.89 3hgu h ILE 145 Ca -0.37 -0.84 0.13 0.00 1.08 0.00 0.00 64.86 64.86 3hgu h ILE 145 Cb 1.17 1.53 -0.04 0.00 -1.09 0.00 0.00 36.82 38.39 3hgu h ILE 145 CO 0.67 0.19 0.47 1.62 -1.08 0.00 0.00 178.15 180.02 3hgu h VAL 146 N 0.00 0.83 -0.28 2.19 3.04 -1.93 -0.65 116.25 119.45 3hgu h VAL 146 Ca -0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 3hgu h VAL 146 Cb 0.52 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 3hgu h VAL 146 CO 0.03 0.08 0.11 1.23 -1.01 0.00 0.00 177.57 178.00 3hgu h GLY 147 N 0.41 0.45 1.22 3.17 0.00 -1.32 -0.85 103.07 106.16 3hgu h GLY 147 Ca 0.34 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 3hgu h GLY 147 CO -0.10 0.23 -0.09 0.00 0.00 0.00 0.00 176.54 176.58 3hgu h ALA 148 N 0.96 0.89 -0.23 3.60 0.00 -1.35 -1.17 119.26 121.96 3hgu h ALA 148 Ca 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hgu h ALA 148 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hgu h ALA 148 CO -0.01 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.70 3hgu h ILE 149 N 0.83 1.25 -0.27 0.00 2.04 -1.05 -2.34 117.51 117.98 3hgu h ILE 149 Ca 0.14 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 3hgu h ILE 149 Cb 0.62 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3hgu h ILE 149 CO 0.04 0.28 -0.16 0.78 0.00 0.00 0.00 178.15 179.08 3hgu h ASN 150 N 0.17 0.46 -0.08 1.72 2.35 -1.00 -1.25 115.58 117.95 3hgu h ASN 150 Ca 0.06 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3hgu h ASN 150 Cb 0.40 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3hgu h ASN 150 CO 0.01 0.65 0.05 0.50 -1.65 0.00 0.00 177.43 176.99 3hgu h LYS 151 N 0.43 0.10 -0.77 0.81 3.64 -1.14 -0.37 116.57 119.26 3hgu h LYS 151 Ca 0.08 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3hgu h LYS 151 Cb 0.54 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3hgu h LYS 151 CO 0.03 0.08 0.50 1.49 -2.27 0.00 0.00 179.45 179.29 3hgu h GLU 152 N 0.09 0.98 -0.46 1.90 4.57 -1.16 -2.26 114.58 118.24 3hgu h GLU 152 Ca 0.03 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3hgu h GLU 152 Cb 0.00 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 3hgu h GLU 152 CO -0.01 0.65 0.27 -0.09 -1.18 0.00 0.00 179.01 178.66 3hgu h ARG 153 N 1.01 0.62 -0.46 1.92 2.43 -1.06 -2.75 114.38 116.09 3hgu h ARG 153 Ca 0.29 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3hgu h ARG 153 Cb -0.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3hgu h ARG 153 CO -0.08 0.46 0.28 0.00 -1.51 0.00 0.00 179.97 179.12 3hgu h ALA 154 N 1.13 1.62 -0.85 2.80 0.00 -0.71 0.68 119.26 123.92 3hgu h ALA 154 Ca 0.16 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3hgu h ALA 154 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3hgu h ALA 154 CO -0.03 0.33 0.51 1.25 0.00 0.00 0.00 179.25 181.31 3hgu h LEU 155 N 0.63 0.75 -0.67 0.00 5.85 -1.12 -2.85 115.31 117.90 3hgu h LEU 155 Ca 0.17 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hgu h LEU 155 Cb -0.03 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3hgu h LEU 155 CO -0.03 0.44 0.00 0.03 -0.34 0.00 0.00 178.44 178.54 3hgu h ARG 156 N 0.86 0.00 -0.20 1.25 2.47 -0.71 -3.06 114.38 114.99 3hgu h ARG 156 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 3hgu h ARG 156 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3hgu h ARG 156 CO -0.23 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.58 3hgu n LEU 157 N -3.02 2.01 -2.19 3.04 4.77 -1.03 -4.96 117.00 115.62 3hgu n LEU 157 Ca 0.03 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 55.03 3hgu n LEU 157 Cb 0.42 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3hgu n LEU 157 CO 0.30 0.42 0.12 0.61 -1.33 0.00 0.00 177.39 177.52 3hgu n GLY 158 N 1.20 0.10 0.00 -0.72 0.00 -1.16 -1.09 105.19 103.52 3hgu n GLY 158 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hgu n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgu n GLY 159 N -1.33 3.85 3.87 -0.02 0.00 -0.87 -3.65 105.19 107.03 3hgu n GLY 159 Ca -0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 3hgu n GLY 159 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hgu s MET 160 N -0.03 2.99 -0.35 1.61 -1.94 -1.26 -4.56 119.30 115.76 3hgu s MET 160 Ca 0.00 -1.05 -0.16 0.00 -1.71 0.00 0.00 55.69 52.77 3hgu s MET 160 Cb 0.00 -2.62 -0.01 0.00 2.01 0.00 0.00 34.83 34.21 3hgu s MET 160 CO 0.00 0.32 0.38 0.12 -0.01 0.00 0.00 175.02 175.83 3hgu s PHE 161 N -2.15 3.20 -0.13 -0.03 5.36 -1.26 -1.23 117.98 121.74 3hgu s PHE 161 Ca 0.36 -0.04 -0.06 0.00 -0.96 0.00 0.00 56.93 56.23 3hgu s PHE 161 Cb -0.08 -2.72 -0.04 0.00 -0.34 0.00 0.00 43.02 39.85 3hgu s PHE 161 CO 0.26 -0.47 0.08 -0.06 -1.46 0.00 0.00 175.22 173.58 3hgu s PHE 162 N 2.07 3.37 0.39 10.12 0.40 0.62 -5.00 117.98 129.94 3hgu s PHE 162 Ca 0.12 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 3hgu s PHE 162 Cb -0.16 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 3hgu s PHE 162 CO 0.12 0.48 0.06 0.45 0.70 0.00 0.00 175.22 177.03 3hgu s SER 163 N -0.54 2.97 0.23 1.36 0.15 -1.26 -0.51 113.70 116.10 3hgu s SER 163 Ca 0.11 -1.50 0.02 0.00 0.70 0.00 0.00 55.95 55.28 3hgu s SER 163 Cb -0.12 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 3hgu s SER 163 CO 0.02 -0.71 0.06 0.27 1.20 0.00 0.00 173.24 174.08 3hgu s ILE 164 N -3.13 0.62 -0.12 6.45 -4.36 -1.26 -4.94 121.20 114.47 3hgu s ILE 164 Ca 0.28 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.41 3hgu s ILE 164 Cb 0.06 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 3hgu s ILE 164 CO 0.14 -0.15 0.86 -1.81 0.24 0.00 0.00 174.94 174.22 3hgu s ASP 165 N -3.27 7.07 -0.23 4.36 1.01 -1.26 -4.85 116.67 119.50 3hgu s ASP 165 Ca 0.33 1.31 -0.09 0.00 0.71 0.00 0.00 52.55 54.81 3hgu s ASP 165 Cb 0.07 -2.48 0.09 0.00 1.01 0.00 0.00 42.92 41.61 3hgu s ASP 165 CO 0.11 -0.35 0.50 -0.51 0.21 0.00 0.00 175.17 175.13 3hgu s ILE 166 N 1.77 -0.58 -0.58 0.77 2.07 -1.26 -4.91 121.20 118.48 3hgu s ILE 166 Ca 0.42 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.70 3hgu s ILE 166 Cb -0.18 -0.77 0.15 0.00 0.13 0.00 0.00 42.46 41.79 3hgu s ILE 166 CO 0.16 0.04 0.42 -0.62 -1.91 0.00 0.00 174.94 173.03 3hgu s ASP 167 N 2.41 5.57 0.50 4.50 -1.08 -1.26 -4.59 116.67 122.72 3hgu s ASP 167 Ca -0.05 -2.45 0.29 0.00 -0.52 0.00 0.00 52.55 49.82 3hgu s ASP 167 Cb -0.11 -1.94 1.14 0.00 -1.46 0.00 0.00 42.92 40.56 3hgu s ASP 167 CO -0.15 -0.51 1.91 1.55 0.52 0.00 0.00 175.17 178.49 3hgu h PRO 168 N 7.67 0.00 -0.12 4.34 0.13 -2.00 -2.91 132.00 139.11 3hgu h PRO 168 Ca -0.07 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.86 3hgu h PRO 168 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3hgu h PRO 168 CO 0.75 0.09 -0.74 0.00 -0.23 0.00 0.00 178.00 177.87 3hgu h ARG 169 N 0.00 0.59 -0.53 0.86 3.08 -1.96 -1.58 114.38 114.83 3hgu h ARG 169 Ca -0.00 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 3hgu h ARG 169 Cb 0.62 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3hgu h ARG 169 CO 0.01 1.10 0.24 2.35 -1.07 0.00 0.00 179.97 182.61 3hgu h TRP 170 N 0.41 0.78 0.17 3.04 2.91 -1.96 0.11 115.95 121.41 3hgu h TRP 170 Ca -0.04 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.93 3hgu h TRP 170 Cb 1.34 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 3hgu h TRP 170 CO 0.06 0.62 -0.09 0.28 -1.03 0.00 0.00 178.44 178.29 3hgu h VAL 171 N 0.72 0.82 -0.28 2.65 2.07 -1.37 -1.57 116.25 119.28 3hgu h VAL 171 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3hgu h VAL 171 Cb 0.14 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3hgu h VAL 171 CO -0.02 0.00 -0.10 0.11 0.02 0.00 0.00 177.57 177.58 3hgu h LYS 172 N -0.24 -0.04 -0.14 1.57 1.57 -1.16 -0.48 116.57 117.65 3hgu h LYS 172 Ca -0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3hgu h LYS 172 Cb 0.19 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3hgu h LYS 172 CO 0.03 -0.03 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.77 3hgu h ARG 173 N -0.04 0.02 -0.15 3.15 2.43 -0.66 -1.01 114.38 118.12 3hgu h ARG 173 Ca 0.14 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3hgu h ARG 173 Cb 0.26 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3hgu h ARG 173 CO -0.32 0.01 -0.08 0.77 -1.51 0.00 0.00 179.97 178.85 3hgu h SER 174 N 0.02 -0.27 -0.88 -3.80 0.02 -1.09 -1.30 113.55 106.25 3hgu h SER 174 Ca 0.07 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 3hgu h SER 174 Cb 0.09 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 3hgu h SER 174 CO -0.13 -0.11 0.53 -0.07 -1.14 0.00 0.00 176.83 175.91 3hgu h LEU 175 N -0.07 0.78 -1.14 5.07 3.38 -0.90 0.12 115.31 122.55 3hgu h LEU 175 Ca 0.09 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3hgu h LEU 175 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hgu h LEU 175 CO -0.20 0.46 -0.37 0.28 0.09 0.00 0.00 178.44 178.70 3hgu h SER 176 N 0.90 0.00 -0.19 -0.43 0.02 -0.69 -0.74 113.55 112.41 3hgu h SER 176 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3hgu h SER 176 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3hgu h SER 176 CO -0.23 0.37 0.00 -0.62 -1.14 0.00 0.00 176.83 175.22 3hgu n GLU 177 N -3.75 1.78 -2.42 3.45 1.02 -0.54 -4.92 120.64 115.26 3hgu n GLU 177 Ca -0.01 -1.18 -0.19 0.00 -0.02 0.00 0.00 57.16 55.76 3hgu n GLU 177 Cb 0.46 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 3hgu n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgu n GLY 178 N 1.15 -0.50 3.26 0.62 0.00 -0.28 -4.91 105.19 104.52 3hgu n GLY 178 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3hgu n GLY 178 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hgu n ASP 179 N -1.99 4.77 0.20 1.61 -0.08 0.36 -4.79 116.55 116.65 3hgu n ASP 179 Ca -0.23 -2.94 0.04 0.00 -1.51 0.00 0.00 54.79 50.16 3hgu n ASP 179 Cb 0.67 -1.65 0.43 0.00 2.34 0.00 0.00 41.12 42.91 3hgu n ASP 179 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3hgu h THR 180 N 4.74 1.14 -0.43 5.18 1.35 -1.91 -2.49 112.91 120.49 3hgu h THR 180 Ca 0.44 -1.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.21 3hgu h THR 180 Cb 0.78 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3hgu h THR 180 CO 1.54 0.29 0.07 0.00 -0.25 0.00 0.00 175.52 177.17 3hgu h ALA 181 N 1.70 0.57 -0.21 6.62 0.00 -1.97 -1.31 119.26 124.66 3hgu h ALA 181 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hgu h ALA 181 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hgu h ALA 181 CO 0.04 0.29 0.07 1.15 0.00 0.00 0.00 179.25 180.79 3hgu h THR 182 N 0.57 1.19 -0.74 0.00 2.02 -1.87 -1.94 112.91 112.13 3hgu h THR 182 Ca 0.13 -0.59 0.08 0.00 0.77 0.00 0.00 66.41 66.80 3hgu h THR 182 Cb 0.38 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 3hgu h THR 182 CO 0.01 0.19 0.41 0.58 0.37 0.00 0.00 175.52 177.07 3hgu h VAL 183 N 0.17 0.92 0.45 3.16 2.07 -1.35 0.70 116.25 122.36 3hgu h VAL 183 Ca 0.07 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3hgu h VAL 183 Cb 0.23 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3hgu h VAL 183 CO -0.00 0.13 -0.25 -0.09 0.02 0.00 0.00 177.57 177.38 3hgu h ARG 184 N 0.71 -0.62 -0.25 1.57 2.43 -1.12 -1.46 114.38 115.63 3hgu h ARG 184 Ca 0.35 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 3hgu h ARG 184 Cb 0.30 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3hgu h ARG 184 CO -0.23 -0.42 -0.09 0.87 -1.51 0.00 0.00 179.97 178.59 3hgu h LYS 185 N -0.65 0.41 -0.56 0.20 1.57 -0.82 -2.47 116.57 114.25 3hgu h LYS 185 Ca -0.06 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 3hgu h LYS 185 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3hgu h LYS 185 CO 0.08 0.51 0.07 -0.92 -0.57 0.00 0.00 179.45 178.62 3hgu h TYR 186 N 0.39 1.00 -0.22 -1.35 3.20 -0.71 -1.35 116.97 117.92 3hgu h TYR 186 Ca 0.08 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.81 3hgu h TYR 186 Cb 0.40 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3hgu h TYR 186 CO 0.01 0.89 0.11 1.15 -1.64 0.00 0.00 178.16 178.68 3hgu h THR 187 N 0.82 1.00 -0.89 1.81 2.02 -0.82 -0.56 112.91 116.29 3hgu h THR 187 Ca 0.17 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3hgu h THR 187 Cb 0.44 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3hgu h THR 187 CO 0.01 0.04 0.51 0.45 0.37 0.00 0.00 175.52 176.91 3hgu h HIS 188 N 0.23 1.19 -0.58 3.16 3.86 -1.37 0.10 115.15 121.75 3hgu h HIS 188 Ca 0.09 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.38 3hgu h HIS 188 Cb 0.02 -0.39 -0.07 0.00 1.06 0.00 0.00 27.41 28.03 3hgu h HIS 188 CO -0.09 0.81 0.20 1.25 0.86 0.00 0.00 177.93 180.95 3hgu h HIS 189 N 1.23 0.34 -0.36 2.45 6.17 -0.77 -0.75 115.15 123.46 3hgu h HIS 189 Ca 0.32 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.40 3hgu h HIS 189 Cb -0.02 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 29.83 3hgu h HIS 189 CO 0.01 0.08 0.11 -0.07 0.71 0.00 0.00 177.93 178.76 3hgu h LEU 190 N 0.37 0.53 -0.85 0.26 3.38 0.37 -2.88 115.31 116.49 3hgu h LEU 190 Ca 0.29 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3hgu h LEU 190 Cb 0.36 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3hgu h LEU 190 CO -0.31 0.61 0.52 0.58 0.09 0.00 0.00 178.44 179.93 3hgu h VAL 191 N 0.44 1.03 -0.85 1.22 2.07 -0.53 -1.70 116.25 117.92 3hgu h VAL 191 Ca 0.12 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3hgu h VAL 191 Cb 0.27 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3hgu h VAL 191 CO -0.00 0.17 0.40 0.44 0.02 0.00 0.00 177.57 178.60 3hgu h ASP 192 N 0.94 1.11 -0.35 0.57 3.32 -0.97 0.25 116.42 121.28 3hgu h ASP 192 Ca 0.37 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3hgu h ASP 192 Cb 0.19 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3hgu h ASP 192 CO -0.18 0.94 -0.05 1.56 -1.72 0.00 0.00 179.24 179.79 3hgu h GLN 193 N 1.21 0.65 0.01 3.56 4.20 -1.26 -1.96 115.11 121.53 3hgu h GLN 193 Ca 0.29 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hgu h GLN 193 Cb 0.12 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3hgu h GLN 193 CO -0.04 0.80 -0.01 0.28 -0.67 0.00 0.00 178.83 179.20 3hgu h VAL 194 N 0.45 1.13 -0.39 -0.54 2.07 -0.77 -2.78 116.25 115.43 3hgu h VAL 194 Ca 0.09 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.25 3hgu h VAL 194 Cb 0.54 1.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 3hgu h VAL 194 CO 0.03 0.11 -0.38 -0.61 0.02 0.00 0.00 177.57 176.74 3hgu h GLN 195 N -0.20 -0.29 -0.60 1.57 4.15 -0.55 -1.77 115.11 117.42 3hgu h GLN 195 Ca -0.00 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.56 3hgu h GLN 195 Cb 0.20 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 27.85 3hgu h GLN 195 CO 0.00 -0.19 -0.03 -0.91 -1.93 0.00 0.00 178.83 175.77 3hgu h ASN 196 N -0.30 -0.33 -0.35 -0.69 2.35 -1.13 0.27 115.58 115.40 3hgu h ASN 196 Ca 0.15 0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.90 3hgu h ASN 196 Cb 0.57 0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3hgu h ASN 196 CO -0.55 -0.13 -0.39 0.74 -1.65 0.00 0.00 177.43 175.45 3hgu h THR 197 N 0.09 1.27 -0.46 2.81 2.02 -1.20 -1.56 112.91 115.88 3hgu h THR 197 Ca 0.31 -1.57 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 3hgu h THR 197 Cb 0.49 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3hgu h THR 197 CO -0.53 0.52 0.06 -0.07 0.37 0.00 0.00 175.52 175.87 3hgu h LEU 198 N 0.74 0.67 0.00 2.58 3.38 -0.56 0.22 115.31 122.34 3hgu h LEU 198 Ca 0.06 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3hgu h LEU 198 Cb 0.99 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3hgu h LEU 198 CO 0.10 0.70 -0.51 0.24 0.09 0.00 0.00 178.44 179.06 3hgu h MET 199 N 0.68 0.00 0.00 1.13 2.86 -0.75 -3.37 114.93 115.48 3hgu h MET 199 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3hgu h MET 199 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3hgu h MET 199 CO 0.01 0.30 -1.23 0.09 1.06 0.00 0.00 176.91 177.14 3hgu n ASN 200 N -3.11 2.03 -4.37 1.22 3.02 -0.61 -5.00 115.26 108.44 3hgu n ASN 200 Ca 0.01 -0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 3hgu n ASN 200 Cb 0.68 1.36 -0.10 0.00 -0.61 0.00 0.00 39.78 41.10 3hgu n ASN 200 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hgu s GLN 201 N -2.54 1.41 -0.55 3.52 -1.52 0.05 -5.06 119.66 114.97 3hgu s GLN 201 Ca -0.02 -1.72 -0.21 0.00 -1.95 0.00 0.00 55.36 51.47 3hgu s GLN 201 Cb 0.07 -0.81 0.06 0.00 -0.22 0.00 0.00 33.01 32.11 3hgu s GLN 201 CO 0.44 -0.05 0.76 0.34 -0.25 0.00 0.00 175.29 176.53 3hgu s ASP 202 N -3.36 6.24 -0.26 5.90 2.15 -1.26 -4.59 116.67 121.50 3hgu s ASP 202 Ca 0.29 -0.86 -0.09 0.00 0.43 0.00 0.00 52.55 52.32 3hgu s ASP 202 Cb 0.05 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 3hgu s ASP 202 CO 0.10 -1.09 0.12 -0.63 -0.17 0.00 0.00 175.17 173.51 3hgu s ILE 203 N 3.17 4.79 -0.09 4.11 -1.09 -1.26 -4.29 121.20 126.55 3hgu s ILE 203 Ca 0.19 -0.01 0.15 0.00 -2.23 0.00 0.00 60.65 58.75 3hgu s ILE 203 Cb -0.18 -3.26 -0.22 0.00 -1.58 0.00 0.00 42.46 37.22 3hgu s ILE 203 CO 0.13 0.31 0.57 -1.14 -1.23 0.00 0.00 174.94 173.58 3hgu n ARG 204 N 4.87 0.64 -4.41 2.79 3.00 -0.26 -4.07 116.66 119.23 3hgu n ARG 204 Ca -0.15 0.22 -0.20 0.00 -0.00 0.00 0.00 57.85 57.71 3hgu n ARG 204 Cb 0.52 -1.74 -0.15 0.00 0.00 0.00 0.00 32.46 31.09 3hgu n ARG 204 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3hgu s PHE 205 N -2.65 0.95 -0.06 -0.14 0.40 -0.84 -0.19 117.98 115.45 3hgu s PHE 205 Ca -0.05 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 3hgu s PHE 205 Cb 0.08 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.96 3hgu s PHE 205 CO 0.83 -0.08 -0.13 -1.17 0.70 0.00 0.00 175.22 175.37 3hgu s LEU 206 N 0.07 1.71 -0.17 -0.37 2.96 -0.59 -0.64 118.68 121.66 3hgu s LEU 206 Ca -0.01 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3hgu s LEU 206 Cb -0.07 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.77 3hgu s LEU 206 CO 0.00 0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 3hgu s VAL 207 N 0.53 2.29 0.00 1.68 1.01 -0.74 -0.65 120.40 124.52 3hgu s VAL 207 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3hgu s VAL 207 Cb -0.15 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3hgu s VAL 207 CO 0.04 0.53 0.00 1.07 0.00 0.00 0.00 175.10 176.73 3hgu n THR 208 N 4.38 0.00 -4.22 3.92 5.66 -0.39 -0.45 114.28 123.19 3hgu n THR 208 Ca -0.20 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.67 3hgu n THR 208 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 3hgu n THR 208 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hgu s THR 209 N -2.70 1.00 0.30 1.09 -4.23 -1.26 -1.95 115.64 107.89 3hgu s THR 209 Ca 0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3hgu s THR 209 Cb 0.00 -1.73 0.29 0.00 1.34 0.00 0.00 72.50 72.40 3hgu s THR 209 CO 0.00 -0.75 1.88 -0.65 -0.54 0.00 0.00 174.62 174.56 3hgu h PRO 210 N 2.96 0.94 -0.13 3.99 0.11 -1.90 -1.64 132.00 136.33 3hgu h PRO 210 Ca -0.36 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 3hgu h PRO 210 Cb 1.18 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3hgu h PRO 210 CO 0.62 0.62 -0.26 -1.35 -0.21 0.00 0.00 178.00 177.42 3hgu h PRO 211 N 0.97 0.24 -0.07 1.05 0.11 -1.97 -0.12 132.00 132.20 3hgu h PRO 211 Ca 0.44 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 66.33 3hgu h PRO 211 Cb 0.39 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.49 3hgu h PRO 211 CO -0.20 0.49 -0.50 0.28 -0.21 0.00 0.00 178.00 177.86 3hgu h VAL 212 N 0.21 1.39 -0.63 3.15 2.07 -1.81 -3.03 116.25 117.61 3hgu h VAL 212 Ca 0.03 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.72 3hgu h VAL 212 Cb 0.58 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 3hgu h VAL 212 CO 0.04 0.55 0.37 0.25 0.02 0.00 0.00 177.57 178.81 3hgu h LEU 213 N 0.02 0.59 -0.74 2.57 5.85 -1.23 -1.94 115.31 120.43 3hgu h LEU 213 Ca -0.04 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.81 3hgu h LEU 213 Cb 1.16 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 3hgu h LEU 213 CO 0.10 0.40 0.34 -0.09 -0.34 0.00 0.00 178.44 178.85 3hgu h ARG 214 N 0.72 0.52 -0.06 1.25 2.43 -1.03 -0.15 114.38 118.05 3hgu h ARG 214 Ca 0.26 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3hgu h ARG 214 Cb 0.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3hgu h ARG 214 CO -0.13 0.34 -0.32 1.49 -1.51 0.00 0.00 179.97 179.85 3hgu h GLU 215 N 0.53 0.33 -0.97 0.20 4.57 -1.37 -3.17 114.58 114.71 3hgu h GLU 215 Ca 0.38 -0.27 0.20 0.00 -1.18 0.00 0.00 59.36 58.50 3hgu h GLU 215 Cb 0.50 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.05 3hgu h GLU 215 CO -0.33 0.91 0.61 -0.07 -1.18 0.00 0.00 179.01 178.95 3hgu h LEU 216 N -0.18 0.60 0.00 1.64 3.38 -0.73 -1.50 115.31 118.52 3hgu h LEU 216 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hgu h LEU 216 Cb 0.97 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hgu h LEU 216 CO 0.07 0.22 0.00 0.18 0.09 0.00 0.00 178.44 179.00 3hgu n LEU 217 N -4.63 0.00 0.04 1.67 4.77 -0.13 -3.17 117.00 115.55 3hgu n LEU 217 Ca 0.22 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 3hgu n LEU 217 Cb 0.65 -0.35 0.35 0.00 -2.33 0.00 0.00 43.42 41.73 3hgu n LEU 217 CO 0.26 -0.05 0.63 0.29 -1.33 0.00 0.00 177.39 177.19 3hgu n LYS 218 N -1.35 0.14 -3.56 3.23 5.02 -0.56 -4.70 118.16 116.38 3hgu n LYS 218 Ca 0.10 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 3hgu n LYS 218 Cb 0.23 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 3hgu n LYS 218 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hgu s ARG 219 N -3.07 2.58 0.35 1.97 0.52 -1.19 -5.00 118.95 115.11 3hgu s ARG 219 Ca 0.10 -1.61 0.16 0.00 -0.52 0.00 0.00 55.73 53.86 3hgu s ARG 219 Cb 0.16 -3.89 1.15 0.00 0.52 0.00 0.00 34.95 32.88 3hgu s ARG 219 CO 0.64 -1.09 1.64 -1.35 0.02 0.00 0.00 175.30 175.16 3hgu h PRO 220 N 8.47 0.21 -0.18 3.54 0.11 -1.87 -0.80 132.00 141.48 3hgu h PRO 220 Ca -0.23 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.76 3hgu h PRO 220 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3hgu h PRO 220 CO 0.82 0.14 -0.36 1.05 -0.21 0.00 0.00 178.00 179.45 3hgu h GLU 221 N 0.22 0.38 0.02 1.05 9.09 -1.94 0.17 114.58 123.57 3hgu h GLU 221 Ca 0.76 -0.17 -0.25 0.00 0.05 0.00 0.00 59.36 59.74 3hgu h GLU 221 Cb 1.82 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.92 3hgu h GLU 221 CO -0.66 0.70 -1.03 0.28 0.05 0.00 0.00 179.01 178.34 3hgu h VAL 222 N 0.33 1.34 -0.11 -1.06 2.07 -1.46 -2.84 116.25 114.51 3hgu h VAL 222 Ca 0.04 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3hgu h VAL 222 Cb 0.79 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3hgu h VAL 222 CO 0.06 0.72 0.06 0.58 0.02 0.00 0.00 177.57 179.02 3hgu h VAL 223 N 0.30 1.01 -0.40 2.57 2.07 -0.97 0.17 116.25 121.01 3hgu h VAL 223 Ca -0.11 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3hgu h VAL 223 Cb 1.68 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 3hgu h VAL 223 CO 0.19 0.02 0.01 -0.07 0.02 0.00 0.00 177.57 177.74 3hgu h LEU 224 N 0.13 -0.15 -0.03 2.57 3.38 -1.03 -0.07 115.31 120.11 3hgu h LEU 224 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hgu h LEU 224 Cb -0.00 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hgu h LEU 224 CO -0.02 -0.04 0.02 -0.61 0.09 0.00 0.00 178.44 177.88 3hgu h GLN 225 N 0.11 0.04 -0.45 1.13 5.75 -1.12 -2.95 115.11 117.63 3hgu h GLN 225 Ca 0.20 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.71 3hgu h GLN 225 Cb 0.28 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 3hgu h GLN 225 CO -0.32 0.02 0.28 0.52 -2.65 0.00 0.00 178.83 176.68 3hgu h MET 226 N 0.04 0.55 -1.08 1.69 2.86 -0.24 -0.27 114.93 118.47 3hgu h MET 226 Ca 0.01 -0.03 0.30 0.00 -2.06 0.00 0.00 59.70 57.92 3hgu h MET 226 Cb -0.00 -0.12 -0.11 0.00 0.06 0.00 0.00 31.60 31.42 3hgu h MET 226 CO -0.01 0.36 0.68 0.87 1.06 0.00 0.00 176.91 179.87 3hgu h LYS 227 N 0.56 0.34 0.00 1.72 1.57 -0.97 0.15 116.57 119.95 3hgu h LYS 227 Ca 0.17 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.68 3hgu h LYS 227 Cb -0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3hgu h LYS 227 CO -0.07 0.23 -1.49 1.96 -0.57 0.00 0.00 179.45 179.51 3hgu h GLN 228 N 0.35 0.00 0.00 3.15 4.20 -1.20 -3.43 115.11 118.18 3hgu h GLN 228 Ca 0.67 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 59.09 3hgu h GLN 228 Cb 1.69 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.42 3hgu h GLN 228 CO -0.39 0.59 -2.07 -1.13 -0.67 0.00 0.00 178.83 175.15 3hgu n SER 229 N -3.10 2.41 -4.63 1.46 3.41 -0.18 -4.99 113.62 108.00 3hgu n SER 229 Ca -0.12 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.01 3hgu n SER 229 Cb 1.00 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3hgu n SER 229 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hgu s LEU 230 N -6.21 4.02 0.04 1.04 1.43 0.45 -4.37 118.68 115.07 3hgu s LEU 230 Ca -0.26 0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 3hgu s LEU 230 Cb 0.07 -3.35 -0.27 0.00 0.03 0.00 0.00 46.19 42.68 3hgu s LEU 230 CO 0.42 -0.75 0.99 0.00 0.23 0.00 0.00 176.35 177.25 3hgu h ALA 231 N 8.03 0.26 -3.33 4.21 0.00 -0.88 -3.38 119.26 124.17 3hgu h ALA 231 Ca -0.22 -1.04 -0.19 0.00 0.00 0.00 0.00 54.91 53.47 3hgu h ALA 231 Cb 1.08 0.14 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 3hgu h ALA 231 CO 0.96 1.13 -0.55 -1.14 0.00 0.00 0.00 179.25 179.66 3hgu s GLN 232 N -2.64 0.19 -0.09 0.00 0.74 -1.15 -1.10 119.66 115.61 3hgu s GLN 232 Ca -0.06 0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.54 3hgu s GLN 232 Cb 0.07 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.28 3hgu s GLN 232 CO 0.86 -0.03 -0.23 0.42 -0.55 0.00 0.00 175.29 175.76 3hgu s ILE 233 N -0.04 1.93 -0.14 -2.34 1.01 0.22 -1.54 121.20 120.29 3hgu s ILE 233 Ca -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3hgu s ILE 233 Cb -0.02 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 3hgu s ILE 233 CO 0.00 0.53 -0.08 -0.89 0.00 0.00 0.00 174.94 174.50 3hgu s THR 234 N 0.33 3.46 -0.09 2.92 2.01 0.17 -1.88 115.64 122.57 3hgu s THR 234 Ca -0.17 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.34 3hgu s THR 234 Cb -0.17 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 3hgu s THR 234 CO 0.08 0.51 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.62 3hgu s LEU 235 N 0.38 2.72 0.39 4.42 1.43 -0.00 -1.26 118.68 126.75 3hgu s LEU 235 Ca -0.07 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3hgu s LEU 235 Cb -0.15 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 3hgu s LEU 235 CO 0.04 0.25 -0.03 -0.83 0.23 0.00 0.00 176.35 176.02 3hgu s GLY 236 N -0.15 2.40 0.00 -3.19 0.00 -0.82 -0.82 107.32 104.73 3hgu s GLY 236 Ca -0.01 -2.23 0.00 0.00 0.00 0.00 0.00 44.72 42.48 3hgu s GLY 236 CO 0.03 -2.07 0.00 0.61 0.00 0.00 0.00 173.10 171.67 3hgu n GLY 237 N -0.91 -3.19 0.17 0.20 0.00 -1.21 -4.65 105.19 95.60 3hgu n GLY 237 Ca -0.05 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 43.97 3hgu n GLY 237 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hgu n THR 238 N -0.02 1.65 -2.40 2.61 -2.24 -1.26 -4.64 114.28 107.98 3hgu n THR 238 Ca 0.00 -1.82 -0.22 0.00 -2.27 0.00 0.00 64.05 59.74 3hgu n THR 238 Cb 0.00 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3hgu n THR 238 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hgu n GLU 239 N -0.98 3.06 -3.14 -0.78 1.02 -1.26 -4.09 120.64 114.46 3hgu n GLU 239 Ca 0.12 -4.18 -0.39 0.00 -0.02 0.00 0.00 57.16 52.69 3hgu n GLU 239 Cb 0.55 -2.08 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 3hgu n GLU 239 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hgu s LEU 240 N -3.52 4.34 -0.37 -4.62 1.02 -1.26 -4.88 118.68 109.38 3hgu s LEU 240 Ca 0.45 1.11 -0.08 0.00 0.02 0.00 0.00 54.13 55.63 3hgu s LEU 240 Cb 0.40 -2.96 0.05 0.00 0.02 0.00 0.00 46.19 43.71 3hgu s LEU 240 CO -0.08 -0.03 0.18 0.21 0.02 0.00 0.00 176.35 176.64 3hgu s ASN 241 N 0.46 5.48 0.09 2.29 3.84 -1.26 -5.00 114.94 120.85 3hgu s ASN 241 Ca 0.33 -1.28 -0.23 0.00 0.21 0.00 0.00 52.86 51.89 3hgu s ASN 241 Cb -0.17 -1.93 -0.15 0.00 -0.55 0.00 0.00 41.25 38.45 3hgu s ASN 241 CO 0.16 -0.42 1.74 0.25 -2.79 0.00 0.00 177.10 176.04 3hgu h LEU 242 N 8.31 -0.03 -0.83 3.21 5.85 -1.99 -1.29 115.31 128.54 3hgu h LEU 242 Ca -0.23 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3hgu h LEU 242 Cb 1.08 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3hgu h LEU 242 CO 0.67 -0.02 0.51 0.44 -0.34 0.00 0.00 178.44 179.70 3hgu h ASP 243 N -0.03 0.81 -0.36 1.25 3.32 -1.96 0.11 116.42 119.56 3hgu h ASP 243 Ca -0.00 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3hgu h ASP 243 Cb 0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3hgu h ASP 243 CO -0.00 0.52 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.91 3hgu h GLU 244 N 0.94 0.68 -0.66 3.56 4.81 -1.94 -0.90 114.58 121.07 3hgu h GLU 244 Ca 0.36 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3hgu h GLU 244 Cb 0.16 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3hgu h GLU 244 CO -0.17 0.81 0.30 0.82 -0.73 0.00 0.00 179.01 180.05 3hgu h ILE 245 N 0.48 1.23 -0.79 2.32 2.04 -0.77 -1.21 117.51 120.81 3hgu h ILE 245 Ca 0.10 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3hgu h ILE 245 Cb 0.54 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3hgu h ILE 245 CO 0.03 0.27 0.35 0.11 0.00 0.00 0.00 178.15 178.91 3hgu h LYS 246 N 0.92 1.15 0.22 2.37 1.57 -0.64 0.45 116.57 122.61 3hgu h LYS 246 Ca 0.23 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hgu h LYS 246 Cb 0.14 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3hgu h LYS 246 CO -0.03 0.90 -0.14 0.35 -0.57 0.00 0.00 179.45 179.97 3hgu h PHE 247 N 1.13 -0.36 -0.61 -1.35 3.04 -0.69 -2.26 116.94 115.85 3hgu h PHE 247 Ca 0.27 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.28 3hgu h PHE 247 Cb 0.16 0.13 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 3hgu h PHE 247 CO 0.02 -0.22 0.30 0.82 -2.02 0.00 0.00 178.31 177.21 3hgu h ILE 248 N -0.35 0.91 -0.24 1.41 2.04 -0.87 0.18 117.51 120.59 3hgu h ILE 248 Ca -0.02 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3hgu h ILE 248 Cb 0.29 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3hgu h ILE 248 CO 0.02 0.10 0.03 0.00 0.00 0.00 0.00 178.15 178.31 3hgu h ALA 249 N 1.35 1.62 0.00 1.87 0.00 -0.81 0.12 119.26 123.41 3hgu h ALA 249 Ca 0.28 -0.12 -0.40 0.00 0.00 0.00 0.00 54.91 54.67 3hgu h ALA 249 Cb 0.23 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3hgu h ALA 249 CO -0.21 0.29 -2.47 -1.13 0.00 0.00 0.00 179.25 175.73 3hgu n SER 250 N -4.38 2.00 0.06 0.00 3.41 -0.86 -2.89 113.62 110.96 3hgu n SER 250 Ca 0.00 -0.03 0.04 0.00 -0.26 0.00 0.00 58.87 58.62 3hgu n SER 250 Cb 0.17 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 3hgu n SER 250 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hgu h GLU 251 N -0.23 0.00 0.00 4.33 4.39 -0.74 -3.40 114.58 118.93 3hgu h GLU 251 Ca -0.60 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 3hgu h GLU 251 Cb 1.82 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 3hgu h GLU 251 CO -0.17 0.21 -1.01 -0.89 -1.16 0.00 0.00 179.01 176.00 3hgu n ILE 252 N -2.85 0.56 -2.96 3.13 5.41 -0.85 -4.90 119.36 116.90 3hgu n ILE 252 Ca -0.06 0.04 -0.26 0.00 1.00 0.00 0.00 62.75 63.47 3hgu n ILE 252 Cb 0.74 -1.62 -0.04 0.00 -0.71 0.00 0.00 39.64 38.02 3hgu n ILE 252 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3hgu n LEU 253 N -3.36 4.09 0.18 1.39 4.77 0.36 -4.91 117.00 119.52 3hgu n LEU 253 Ca -0.09 -5.60 0.13 0.00 -0.03 0.00 0.00 56.01 50.42 3hgu n LEU 253 Cb 0.45 -0.42 0.63 0.00 -2.33 0.00 0.00 43.42 41.76 3hgu n LEU 253 CO 0.02 2.35 0.88 1.55 -1.33 0.00 0.00 177.39 180.86 3hgu h PRO 254 N 2.97 0.00 -0.03 3.23 0.13 -1.75 -0.48 132.00 136.08 3hgu h PRO 254 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hgu h PRO 254 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3hgu h PRO 254 CO 0.78 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.30 3hgu n ASP 255 N -2.39 1.87 -4.74 1.44 8.00 -1.26 -4.90 116.55 114.57 3hgu n ASP 255 Ca -0.00 -1.63 -0.36 0.00 0.71 0.00 0.00 54.79 53.51 3hgu n ASP 255 Cb 0.11 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 3hgu n ASP 255 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hgu s GLU 257 N -0.56 4.32 -0.08 0.00 2.02 -0.26 -4.94 118.70 119.19 3hgu s GLU 257 Ca 0.11 0.91 0.04 0.00 0.02 0.00 0.00 54.97 56.05 3hgu s GLU 257 Cb -0.12 -3.04 -0.00 0.00 0.10 0.00 0.00 34.13 31.07 3hgu s GLU 257 CO 0.02 0.48 -0.23 -0.06 0.02 0.00 0.00 175.26 175.50 3hgu s PHE 258 N -1.36 2.40 0.11 1.61 0.40 -1.26 -0.61 117.98 119.27 3hgu s PHE 258 Ca 0.39 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 3hgu s PHE 258 Cb -0.19 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 3hgu s PHE 258 CO 0.22 -0.35 0.07 -1.54 0.70 0.00 0.00 175.22 174.32 3hgu s SER 259 N 0.24 0.32 0.21 1.36 1.04 -0.79 -0.77 113.70 115.31 3hgu s SER 259 Ca -0.14 -1.05 0.11 0.00 0.48 0.00 0.00 55.95 55.34 3hgu s SER 259 Cb -0.17 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3hgu s SER 259 CO 0.07 -0.71 -0.21 0.00 0.98 0.00 0.00 173.24 173.37 3hgu s ALA 260 N -3.98 2.63 -0.04 5.32 0.00 -1.26 -0.82 121.76 123.61 3hgu s ALA 260 Ca 0.16 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.50 3hgu s ALA 260 Cb 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hgu s ALA 260 CO -0.03 0.41 -0.11 0.45 0.00 0.00 0.00 175.76 176.48 3hgu s SER 261 N -2.83 1.51 -0.19 0.00 0.15 -0.00 -2.30 113.70 110.04 3hgu s SER 261 Ca 0.23 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.65 3hgu s SER 261 Cb -0.08 -0.50 0.02 0.00 -1.71 0.00 0.00 66.02 63.76 3hgu s SER 261 CO 0.11 0.07 -0.19 -0.47 1.20 0.00 0.00 173.24 173.96 3hgu s TYR 262 N 0.32 2.78 -0.11 3.44 5.04 -0.47 -3.32 117.35 125.02 3hgu s TYR 262 Ca -0.06 -1.69 -0.12 0.00 -2.44 0.00 0.00 57.07 52.76 3hgu s TYR 262 Cb -0.11 -1.90 -0.05 0.00 0.35 0.00 0.00 41.96 40.25 3hgu s TYR 262 CO 0.01 -0.81 0.28 0.20 -1.34 0.00 0.00 175.55 173.90 3hgu s GLY 263 N 1.29 2.26 -0.60 8.97 0.00 -1.26 0.05 107.32 118.02 3hgu s GLY 263 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.35 3hgu s GLY 263 CO -0.12 0.14 0.39 -0.56 0.00 0.00 0.00 173.10 172.96 3hgu s SER 264 N -0.31 4.25 0.37 1.64 0.01 0.28 -4.96 113.70 114.98 3hgu s SER 264 Ca 0.18 -3.44 0.06 0.00 1.31 0.00 0.00 55.95 54.06 3hgu s SER 264 Cb -0.14 -1.46 0.76 0.00 0.21 0.00 0.00 66.02 65.40 3hgu s SER 264 CO 0.06 -0.15 1.97 0.00 0.41 0.00 0.00 173.24 175.53 3hgu h THR 265 N 4.78 1.03 -0.26 1.44 1.03 -1.94 -0.59 112.91 118.39 3hgu h THR 265 Ca 0.08 -0.25 0.06 0.00 -0.01 0.00 0.00 66.41 66.30 3hgu h THR 265 Cb 0.82 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.13 3hgu h THR 265 CO 0.65 0.13 0.18 0.28 -0.01 0.00 0.00 175.52 176.76 3hgu h SER 266 N 0.72 0.06 -0.59 0.00 0.02 -1.93 -0.62 113.55 111.22 3hgu h SER 266 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3hgu h SER 266 Cb 0.24 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3hgu h SER 266 CO -0.09 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 3hgu n ALA 267 N -2.57 2.66 -2.16 3.77 0.00 -0.58 -4.84 120.51 116.79 3hgu n ALA 267 Ca 0.03 -1.46 -0.19 0.00 0.00 0.00 0.00 53.44 51.81 3hgu n ALA 267 Cb 0.29 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3hgu n ALA 267 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hgu n LEU 268 N 1.05 -1.76 0.00 0.00 4.77 -0.24 -4.83 117.00 116.00 3hgu n LEU 268 Ca 0.22 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.29 3hgu n LEU 268 Cb 0.71 -2.73 -0.00 0.00 -2.33 0.00 0.00 43.42 39.07 3hgu n LEU 268 CO 0.18 -0.41 0.03 0.61 -1.33 0.00 0.00 177.39 176.47 3hgu n GLY 269 N -0.92 2.75 2.99 -0.72 0.00 -0.33 -4.98 105.19 103.98 3hgu n GLY 269 Ca -0.22 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 3hgu n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgu s VAL 270 N -2.58 0.29 -0.01 1.61 0.11 -1.26 -0.55 120.40 118.01 3hgu s VAL 270 Ca 0.03 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 3hgu s VAL 270 Cb -0.00 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3hgu s VAL 270 CO 0.02 -0.28 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.06 3hgu s SER 271 N -1.04 5.01 -0.19 3.54 0.01 0.11 -4.71 113.70 116.42 3hgu s SER 271 Ca -0.08 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 3hgu s SER 271 Cb -0.07 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 3hgu s SER 271 CO -0.00 0.29 0.05 -0.60 0.41 0.00 0.00 173.24 173.39 3hgu s ARG 272 N -1.45 3.87 0.55 12.44 3.52 -0.81 -1.37 118.95 135.71 3hgu s ARG 272 Ca 0.18 -0.39 -0.12 0.00 -0.13 0.00 0.00 55.73 55.27 3hgu s ARG 272 Cb -0.11 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 3hgu s ARG 272 CO 0.09 0.16 0.96 -1.54 -0.81 0.00 0.00 175.30 174.16 3hgu s SER 273 N 0.66 6.38 0.75 -2.12 1.04 -0.97 -1.17 113.70 118.27 3hgu s SER 273 Ca 0.03 1.38 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 3hgu s SER 273 Cb -0.13 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.60 3hgu s SER 273 CO 0.02 -0.70 1.15 -0.76 0.98 0.00 0.00 173.24 173.92 3hgu s LEU 274 N -4.66 3.20 0.38 2.42 1.43 -0.12 -4.74 118.68 116.59 3hgu s LEU 274 Ca 0.55 2.13 -0.28 0.00 -1.03 0.00 0.00 54.13 55.50 3hgu s LEU 274 Cb -0.11 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.45 3hgu s LEU 274 CO 0.44 -2.21 1.46 -0.76 0.23 0.00 0.00 176.35 175.51 3hgu s LEU 275 N -5.49 4.31 -0.27 1.79 1.43 -1.26 -4.65 118.68 114.54 3hgu s LEU 275 Ca 0.68 3.00 -0.18 0.00 -1.03 0.00 0.00 54.13 56.61 3hgu s LEU 275 Cb -0.23 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 3hgu s LEU 275 CO 0.49 -0.87 0.50 -0.63 0.23 0.00 0.00 176.35 176.07 3hgu s ILE 276 N -1.13 5.07 0.16 -0.59 1.01 0.05 -4.94 121.20 120.83 3hgu s ILE 276 Ca 0.53 0.81 0.01 0.00 0.00 0.00 0.00 60.65 62.00 3hgu s ILE 276 Cb -0.45 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 3hgu s ILE 276 CO 0.61 0.07 0.05 0.35 0.00 0.00 0.00 174.94 176.02 3hgu n THR 277 N 5.18 0.00 0.37 2.92 -2.24 -1.26 -4.43 114.28 114.82 3hgu n THR 277 Ca -0.05 -0.88 0.14 0.00 -2.27 0.00 0.00 64.05 61.00 3hgu n THR 277 Cb 0.50 0.30 0.51 0.00 -2.10 0.00 0.00 70.33 69.54 3hgu n THR 277 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hgu h SER 278 N 0.58 0.00 1.30 3.42 4.64 -1.96 -2.43 113.55 119.09 3hgu h SER 278 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3hgu h SER 278 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hgu h SER 278 CO 0.19 0.00 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.44 3hgu h GLU 279 N 0.00 0.00 -6.45 4.77 4.39 -1.98 -3.47 114.58 111.84 3hgu h GLU 279 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3hgu h GLU 279 Cb 0.54 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3hgu h GLU 279 CO 0.00 0.00 1.02 -1.12 -1.16 0.00 0.00 179.01 177.75 3hgu s SER 280 N -4.93 6.58 -0.10 1.42 0.01 -0.92 -4.90 113.70 110.86 3hgu s SER 280 Ca 0.06 2.52 0.14 0.00 1.31 0.00 0.00 55.95 59.98 3hgu s SER 280 Cb 0.11 -2.56 -0.21 0.00 0.21 0.00 0.00 66.02 63.57 3hgu s SER 280 CO 0.69 -0.91 0.16 0.00 0.41 0.00 0.00 173.24 173.59 3hgu n GLN 281 N 5.71 1.18 -4.14 12.44 1.13 -1.26 -4.95 117.38 127.49 3hgu n GLN 281 Ca 0.16 -0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 55.07 3hgu n GLN 281 Cb 0.40 -1.38 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 3hgu n GLN 281 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3hgu s GLN 282 N -2.63 0.80 -0.23 -1.09 -0.21 -1.26 -5.09 119.66 109.94 3hgu s GLN 282 Ca -0.07 -1.34 -0.16 0.00 0.02 0.00 0.00 55.36 53.81 3hgu s GLN 282 Cb 0.07 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 34.12 3hgu s GLN 282 CO 0.63 -0.13 0.42 0.08 -2.12 0.00 0.00 175.29 174.17 3hgu s VAL 283 N -3.86 5.16 -0.09 1.09 1.01 -1.26 -4.97 120.40 117.48 3hgu s VAL 283 Ca 0.14 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.87 3hgu s VAL 283 Cb 0.07 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3hgu s VAL 283 CO -0.04 0.19 -0.19 -0.63 0.00 0.00 0.00 175.10 174.43 3hgu s ILE 284 N 1.69 1.72 -0.03 2.22 1.01 -1.26 -0.47 121.20 126.08 3hgu s ILE 284 Ca 0.19 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.10 3hgu s ILE 284 Cb -0.15 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3hgu s ILE 284 CO 0.09 0.48 -0.25 -0.31 0.00 0.00 0.00 174.94 174.95 3hgu s TYR 285 N 0.54 2.38 0.02 3.97 1.51 0.12 -0.95 117.35 124.94 3hgu s TYR 285 Ca -0.15 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 3hgu s TYR 285 Cb -0.17 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 3hgu s TYR 285 CO 0.06 -0.05 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.82 3hgu s ASP 286 N -0.54 4.29 0.24 2.29 -0.00 -0.32 -1.98 116.67 120.66 3hgu s ASP 286 Ca 0.08 -0.26 0.05 0.00 -0.00 0.00 0.00 52.55 52.42 3hgu s ASP 286 Cb -0.11 -0.89 -0.03 0.00 -0.00 0.00 0.00 42.92 41.90 3hgu s ASP 286 CO -0.00 0.27 0.32 -0.94 -0.00 0.00 0.00 175.17 174.82 3hgu s SER 287 N -1.46 6.15 -1.20 0.27 1.04 -1.26 -1.92 113.70 115.32 3hgu s SER 287 Ca 0.16 0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.46 3hgu s SER 287 Cb -0.11 -1.76 -0.06 0.00 0.10 0.00 0.00 66.02 64.19 3hgu s SER 287 CO 0.07 -0.06 2.28 0.33 0.98 0.00 0.00 173.24 176.83 3hgu n PHE 288 N -1.36 2.41 -2.08 5.02 7.35 -1.25 -4.96 117.46 122.59 3hgu n PHE 288 Ca -0.09 -2.48 -0.38 0.00 -0.76 0.00 0.00 57.45 53.74 3hgu n PHE 288 Cb 0.57 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 38.27 3hgu n PHE 288 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hgu s SER 289 N 3.52 6.07 0.00 -2.13 0.15 -1.15 -1.24 113.70 118.92 3hgu s SER 289 Ca 0.53 2.54 0.28 0.00 0.70 0.00 0.00 55.95 60.00 3hgu s SER 289 Cb 0.14 -2.62 1.18 0.00 -1.71 0.00 0.00 66.02 63.01 3hgu s SER 289 CO -0.02 -1.01 1.81 -0.81 1.20 0.00 0.00 173.24 174.42 3hgu n PRO 290 N -0.31 1.52 -0.09 5.44 -0.04 -1.26 -4.87 135.00 135.39 3hgu n PRO 290 Ca 0.06 -0.76 -0.11 0.00 -0.04 0.00 0.00 63.50 62.66 3hgu n PRO 290 Cb 0.45 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 3hgu n PRO 290 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3hgu h PHE 291 N 1.79 0.47 -3.10 0.54 0.04 -1.35 -3.41 116.94 111.91 3hgu h PHE 291 Ca 0.00 -0.06 -0.64 0.00 2.80 0.00 0.00 57.97 60.07 3hgu h PHE 291 Cb 0.38 -0.13 -0.35 0.00 2.20 0.00 0.00 35.95 38.05 3hgu h PHE 291 CO 0.01 0.54 -0.85 0.42 -0.60 0.00 0.00 178.31 177.83 3hgu s ILE 292 N -5.23 1.82 0.01 -0.55 1.01 -0.37 -0.27 121.20 117.62 3hgu s ILE 292 Ca -0.14 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3hgu s ILE 292 Cb 0.08 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3hgu s ILE 292 CO 0.74 0.50 -0.12 0.42 0.00 0.00 0.00 174.94 176.48 3hgu s THR 293 N 1.33 0.96 0.10 2.92 -4.23 -0.61 -2.94 115.64 113.16 3hgu s THR 293 Ca 0.04 -0.73 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 3hgu s THR 293 Cb -0.13 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 3hgu s THR 293 CO -0.11 0.11 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.71 3hgu s TYR 294 N -0.57 2.82 0.05 3.99 2.02 -1.26 -1.35 117.35 123.05 3hgu s TYR 294 Ca 0.02 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 3hgu s TYR 294 Cb -0.06 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3hgu s TYR 294 CO 0.00 0.45 -0.16 0.34 -1.57 0.00 0.00 175.55 174.62 3hgu s ASP 295 N -2.27 1.84 -0.16 2.29 2.15 -0.10 -1.18 116.67 119.24 3hgu s ASP 295 Ca 0.23 -0.52 0.00 0.00 0.43 0.00 0.00 52.55 52.70 3hgu s ASP 295 Cb -0.11 -0.11 0.03 0.00 -0.30 0.00 0.00 42.92 42.42 3hgu s ASP 295 CO 0.15 0.03 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.35 3hgu s VAL 296 N -0.96 1.63 0.09 1.11 1.01 -1.26 -0.88 120.40 121.14 3hgu s VAL 296 Ca 0.02 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.38 3hgu s VAL 296 Cb -0.09 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3hgu s VAL 296 CO 0.02 0.42 -0.26 0.68 0.00 0.00 0.00 175.10 175.96 3hgu s VAL 297 N 1.45 2.14 0.32 2.92 -7.23 -0.20 -1.24 120.40 118.55 3hgu s VAL 297 Ca 0.04 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 3hgu s VAL 297 Cb -0.13 -1.87 -0.12 0.00 0.56 0.00 0.00 36.38 34.82 3hgu s VAL 297 CO -0.11 0.18 1.56 -0.67 -0.31 0.00 0.00 175.10 175.76 3hgu n ASP 298 N 1.29 3.80 0.20 4.85 -0.08 0.11 0.40 116.55 127.12 3hgu n ASP 298 Ca -0.18 1.17 0.06 0.00 -1.51 0.00 0.00 54.79 54.33 3hgu n ASP 298 Cb 0.53 -1.60 0.54 0.00 2.34 0.00 0.00 41.12 42.93 3hgu n ASP 298 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hgu h SER 299 N 4.25 0.08 0.00 1.67 4.64 -1.90 -0.64 113.55 121.65 3hgu h SER 299 Ca -0.48 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 60.68 3hgu h SER 299 Cb 1.23 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3hgu h SER 299 CO 0.75 0.15 -1.32 -0.38 -0.87 0.00 0.00 176.83 175.15 3hgu n ILE 300 N -4.43 1.49 0.93 0.95 5.41 -1.26 -4.71 119.36 117.75 3hgu n ILE 300 Ca -0.02 -0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.85 3hgu n ILE 300 Cb 0.16 -2.20 0.27 0.00 -0.71 0.00 0.00 39.64 37.16 3hgu n ILE 300 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3hgu n THR 301 N -4.44 0.05 -1.08 1.39 -2.24 -1.24 -4.95 114.28 101.77 3hgu n THR 301 Ca -0.25 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.45 3hgu n THR 301 Cb 0.58 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 3hgu n THR 301 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgu n ALA 302 N -1.55 -0.04 -2.52 6.98 0.00 -0.25 -4.92 120.51 118.21 3hgu n ALA 302 Ca 0.05 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 3hgu n ALA 302 Cb 0.35 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 3hgu n ALA 302 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hgu s GLN 303 N -1.72 3.81 0.18 0.00 -1.52 -1.26 -4.65 119.66 114.50 3hgu s GLN 303 Ca 0.00 0.25 -0.33 0.00 -1.95 0.00 0.00 55.36 53.32 3hgu s GLN 303 Cb 0.00 -2.96 -0.15 0.00 -0.22 0.00 0.00 33.01 29.69 3hgu s GLN 303 CO 0.00 0.52 1.37 2.41 -0.25 0.00 0.00 175.29 179.34 3hgu n THR 304 N 0.79 0.55 -1.71 -0.19 -1.04 -1.26 0.05 114.28 111.47 3hgu n THR 304 Ca -0.07 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 3hgu n THR 304 Cb 0.52 -1.20 0.11 0.00 -1.82 0.00 0.00 70.33 67.94 3hgu n THR 304 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3hgu s VAL 305 N 0.22 2.10 0.45 12.58 -7.23 -0.37 -4.77 120.40 123.37 3hgu s VAL 305 Ca 0.75 0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.73 3hgu s VAL 305 Cb -0.77 -2.90 -0.08 0.00 0.56 0.00 0.00 36.38 33.19 3hgu s VAL 305 CO 0.47 -0.04 1.07 -1.61 -0.31 0.00 0.00 175.10 174.67 3hgu s GLU 306 N -5.41 3.93 0.28 4.82 0.41 -1.26 -4.96 118.70 116.50 3hgu s GLU 306 Ca 0.63 1.50 -0.29 0.00 -0.41 0.00 0.00 54.97 56.39 3hgu s GLU 306 Cb -0.13 -2.32 -0.14 0.00 -1.78 0.00 0.00 34.13 29.76 3hgu s GLU 306 CO 0.51 -0.35 1.07 0.66 -0.49 0.00 0.00 175.26 176.66 3hgu n TYR 307 N -0.54 1.39 0.00 1.61 4.01 -1.26 -1.30 117.16 121.07 3hgu n TYR 307 Ca 0.07 0.68 0.00 0.00 -0.16 0.00 0.00 57.90 58.49 3hgu n TYR 307 Cb 0.51 -2.28 0.00 0.00 -0.31 0.00 0.00 39.34 37.26 3hgu n TYR 307 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hgu n GLY 308 N 1.34 2.73 3.89 2.72 0.00 0.16 -4.98 105.19 111.06 3hgu n GLY 308 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3hgu n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hgu s GLU 309 N -0.54 3.70 0.10 1.61 0.41 -0.42 -4.77 118.70 118.79 3hgu s GLU 309 Ca 0.00 0.12 -0.25 0.00 -0.41 0.00 0.00 54.97 54.43 3hgu s GLU 309 Cb 0.00 -2.64 -0.07 0.00 -1.78 0.00 0.00 34.13 29.64 3hgu s GLU 309 CO 0.00 0.25 0.77 0.50 -0.49 0.00 0.00 175.26 176.29 3hgu s ARG 310 N -3.24 4.52 0.30 1.61 3.52 -1.26 -1.18 118.95 123.21 3hgu s ARG 310 Ca 0.45 1.10 -0.05 0.00 -0.13 0.00 0.00 55.73 57.10 3hgu s ARG 310 Cb -0.11 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3hgu s ARG 310 CO 0.26 0.41 0.49 0.41 -0.81 0.00 0.00 175.30 176.06 3hgu n GLY 311 N 2.04 1.88 3.75 8.12 0.00 -0.52 -4.81 105.19 115.65 3hgu n GLY 311 Ca -0.04 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 3hgu n GLY 311 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hgu s ASN 312 N -2.74 7.56 -0.08 1.61 0.02 0.16 -1.48 114.94 119.98 3hgu s ASN 312 Ca 0.20 1.84 -0.27 0.00 -1.02 0.00 0.00 52.86 53.61 3hgu s ASN 312 Cb -0.02 -2.58 -0.02 0.00 0.02 0.00 0.00 41.25 38.65 3hgu s ASN 312 CO 0.14 0.11 0.89 -0.69 0.02 0.00 0.00 177.10 177.57 3hgu s VAL 313 N -0.87 4.89 -0.16 1.60 1.01 -0.61 -1.04 120.40 125.23 3hgu s VAL 313 Ca 0.41 1.81 0.01 0.00 0.00 0.00 0.00 61.98 64.21 3hgu s VAL 313 Cb -0.25 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3hgu s VAL 313 CO 0.30 0.11 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 3hgu s ILE 314 N 1.49 2.28 0.03 2.22 -1.09 -0.06 -1.83 121.20 124.24 3hgu s ILE 314 Ca 0.44 -0.89 0.08 0.00 -2.23 0.00 0.00 60.65 58.05 3hgu s ILE 314 Cb -0.18 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.72 3hgu s ILE 314 CO 0.19 0.53 -0.23 0.54 -1.23 0.00 0.00 174.94 174.75 3hgu s VAL 315 N 0.99 2.41 -0.07 2.92 0.11 -0.42 -0.92 120.40 125.43 3hgu s VAL 315 Ca -0.02 -1.24 0.03 0.00 -2.93 0.00 0.00 61.98 57.81 3hgu s VAL 315 Cb -0.15 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.76 3hgu s VAL 315 CO -0.05 0.40 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.09 3hgu s THR 316 N -0.82 1.27 -0.15 5.04 2.01 -0.46 -0.24 115.64 122.29 3hgu s THR 316 Ca 0.12 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 3hgu s THR 316 Cb -0.10 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 3hgu s THR 316 CO 0.03 0.38 -0.02 -2.28 -0.69 0.00 0.00 174.62 172.03 3hgu s HIS 317 N 0.56 3.06 -0.06 4.92 2.46 0.07 -1.58 115.29 124.72 3hgu s HIS 317 Ca -0.14 -0.22 -0.03 0.00 0.47 0.00 0.00 55.06 55.15 3hgu s HIS 317 Cb -0.16 -1.96 0.04 0.00 -0.13 0.00 0.00 32.58 30.38 3hgu s HIS 317 CO 0.04 0.02 0.13 -1.17 -2.47 0.00 0.00 174.74 171.30 3hgu s LEU 318 N 0.26 0.55 0.25 8.88 0.20 0.63 -1.27 118.68 128.19 3hgu s LEU 318 Ca -0.02 0.26 -0.21 0.00 0.69 0.00 0.00 54.13 54.85 3hgu s LEU 318 Cb -0.14 0.26 0.05 0.00 -0.43 0.00 0.00 46.19 45.93 3hgu s LEU 318 CO 0.03 -0.17 0.85 -0.94 -0.29 0.00 0.00 176.35 175.82 3hgu s SER 319 N 1.46 -0.15 0.64 3.68 1.04 -0.71 -4.19 113.70 115.48 3hgu s SER 319 Ca -0.06 -0.67 0.38 0.00 0.48 0.00 0.00 55.95 56.09 3hgu s SER 319 Cb -0.12 0.65 2.15 0.00 0.10 0.00 0.00 66.02 68.80 3hgu s SER 319 CO -0.05 -1.24 2.28 -0.65 0.98 0.00 0.00 173.24 174.56 3hgu h PRO 320 N 2.00 0.00 0.00 4.02 0.11 -1.97 -3.15 132.00 133.00 3hgu h PRO 320 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3hgu h PRO 320 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hgu h PRO 320 CO 0.29 0.00 -1.29 0.91 -0.21 0.00 0.00 178.00 177.70 3hgu n TRP 321 N -3.31 0.71 -3.58 0.65 8.01 -1.26 -4.85 117.44 113.81 3hgu n TRP 321 Ca -0.02 0.21 -0.06 0.00 -1.31 0.00 0.00 57.50 56.31 3hgu n TRP 321 Cb 0.13 -0.85 -0.02 0.00 -2.01 0.00 0.00 31.31 28.56 3hgu n TRP 321 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3hgu s ALA 322 N -3.39 -1.82 -0.24 6.99 0.00 -1.19 -4.65 121.76 117.46 3hgu s ALA 322 Ca -0.03 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 3hgu s ALA 322 Cb 0.11 0.43 0.13 0.00 0.00 0.00 0.00 23.12 23.78 3hgu s ALA 322 CO 0.82 -0.78 0.41 0.12 0.00 0.00 0.00 175.76 176.33 3hgu s PHE 323 N -3.07 -0.89 -0.41 0.00 5.36 -1.26 -1.73 117.98 115.98 3hgu s PHE 323 Ca 0.08 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.15 3hgu s PHE 323 Cb -0.01 0.14 0.13 0.00 -0.34 0.00 0.00 43.02 42.94 3hgu s PHE 323 CO -0.06 -0.67 0.21 0.71 -1.46 0.00 0.00 175.22 173.95 3hgu s TYR 324 N 2.59 1.82 0.25 10.12 2.02 -0.40 -5.01 117.35 128.74 3hgu s TYR 324 Ca 0.10 -2.23 -0.27 0.00 -0.37 0.00 0.00 57.07 54.30 3hgu s TYR 324 Cb -0.15 -1.77 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 3hgu s TYR 324 CO -0.15 -0.81 0.88 -1.25 -1.57 0.00 0.00 175.55 172.65 3hgu s PRO 325 N 0.65 4.65 -1.34 -1.71 0.04 -1.26 -0.75 135.00 135.28 3hgu s PRO 325 Ca 0.16 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 3hgu s PRO 325 Cb -0.23 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.24 3hgu s PRO 325 CO -0.04 0.44 1.02 0.54 0.04 0.00 0.00 177.00 179.01 3hgu n ARG 326 N 1.15 -6.67 -2.79 4.56 5.12 -1.16 -3.96 116.66 112.90 3hgu n ARG 326 Ca -0.02 0.76 -0.42 0.00 -1.93 0.00 0.00 57.85 56.25 3hgu n ARG 326 Cb 0.49 -5.70 -0.03 0.00 -1.16 0.00 0.00 32.46 26.06 3hgu n ARG 326 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hgu s VAL 327 N -3.39 4.82 -0.39 1.55 1.01 0.67 -4.06 120.40 120.61 3hgu s VAL 327 Ca 0.33 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.85 3hgu s VAL 327 Cb -0.15 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.02 3hgu s VAL 327 CO 0.76 -0.01 1.25 0.00 0.00 0.00 0.00 175.10 177.10 3hgu s ALA 328 N 2.24 3.23 0.49 5.51 0.00 -1.26 -1.30 121.76 130.66 3hgu s ALA 328 Ca 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 3hgu s ALA 328 Cb -0.17 -3.85 -0.01 0.00 0.00 0.00 0.00 23.12 19.10 3hgu s ALA 328 CO 0.13 -2.06 0.74 -1.21 0.00 0.00 0.00 175.76 173.37 3hgu s GLU 329 N 4.40 3.12 -0.57 0.00 0.41 -0.76 -4.99 118.70 120.31 3hgu s GLU 329 Ca 0.53 -0.24 -0.01 0.00 -0.41 0.00 0.00 54.97 54.85 3hgu s GLU 329 Cb -0.12 -2.46 0.46 0.00 -1.78 0.00 0.00 34.13 30.23 3hgu s GLU 329 CO 0.27 -0.35 2.00 0.54 -0.49 0.00 0.00 175.26 177.23 3hgu n ARG 330 N -2.23 2.46 -4.38 1.61 1.74 -1.26 -4.57 116.66 110.04 3hgu n ARG 330 Ca 0.02 -2.96 -0.26 0.00 -0.77 0.00 0.00 57.85 53.88 3hgu n ARG 330 Cb 0.57 -2.16 -0.12 0.00 -1.02 0.00 0.00 32.46 29.73 3hgu n ARG 330 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hgu s ASP 331 N -1.43 3.14 0.21 0.55 1.01 -1.26 -0.57 116.67 118.32 3hgu s ASP 331 Ca 0.58 -0.83 0.10 0.00 0.71 0.00 0.00 52.55 53.10 3hgu s ASP 331 Cb 0.46 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 44.13 3hgu s ASP 331 CO 0.01 0.08 -0.11 0.42 0.21 0.00 0.00 175.17 175.78 3hgu s THR 332 N -1.64 3.01 0.12 -1.27 -4.23 -0.01 -1.57 115.64 110.04 3hgu s THR 332 Ca 0.17 -1.87 -0.14 0.00 -1.18 0.00 0.00 61.69 58.67 3hgu s THR 332 Cb -0.08 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3hgu s THR 332 CO 0.08 -0.20 0.35 0.00 -0.54 0.00 0.00 174.62 174.31 3hgu s ALA 333 N -1.93 -0.78 0.07 3.99 0.00 -0.55 -0.76 121.76 121.81 3hgu s ALA 333 Ca 0.26 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3hgu s ALA 333 Cb -0.08 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 3hgu s ALA 333 CO 0.15 -0.61 1.08 0.42 0.00 0.00 0.00 175.76 176.81 3hgu s ILE 334 N -3.80 4.31 -0.12 0.00 -1.09 0.25 -1.43 121.20 119.32 3hgu s ILE 334 Ca 0.03 1.75 -0.27 0.00 -2.23 0.00 0.00 60.65 59.93 3hgu s ILE 334 Cb 0.02 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3hgu s ILE 334 CO -0.12 0.19 0.87 -0.60 -1.23 0.00 0.00 174.94 174.05 3hgu s ARG 335 N 0.62 4.38 0.13 2.79 3.52 -0.33 -1.54 118.95 128.53 3hgu s ARG 335 Ca 0.53 1.13 0.07 0.00 -0.13 0.00 0.00 55.73 57.34 3hgu s ARG 335 Cb -0.26 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 3hgu s ARG 335 CO 0.30 -0.23 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.88 3hgu s LEU 336 N 1.77 2.39 0.24 -0.88 1.43 -0.19 0.39 118.68 123.84 3hgu s LEU 336 Ca 0.42 -0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 3hgu s LEU 336 Cb -0.18 -0.71 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 3hgu s LEU 336 CO 0.16 -0.06 1.45 -2.16 0.23 0.00 0.00 176.35 175.97 3hgu s PRO 337 N -2.54 4.26 0.50 1.29 0.04 -1.26 -0.98 135.00 136.31 3hgu s PRO 337 Ca 0.11 2.30 -0.21 0.00 0.04 0.00 0.00 61.00 63.24 3hgu s PRO 337 Cb -0.06 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 3hgu s PRO 337 CO 0.05 -0.43 0.89 0.41 0.04 0.00 0.00 177.00 177.96 3hgu n GLY 338 N 2.31 -0.52 0.69 0.56 0.00 -1.25 -4.41 105.19 102.57 3hgu n GLY 338 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3hgu n GLY 338 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hgu n VAL 339 N -1.10 0.00 -0.20 1.61 3.14 -1.26 -4.77 118.33 115.74 3hgu n VAL 339 Ca 0.11 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3hgu n VAL 339 Cb 0.43 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 3hgu n VAL 339 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3hgu n SER 340 N -2.91 0.00 0.00 6.55 3.41 -1.26 -3.60 113.62 115.81 3hgu n SER 340 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3hgu n SER 340 Cb 0.11 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3hgu n SER 340 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hgu n GLY 341 N -2.00 0.61 3.88 5.00 0.00 -1.26 -5.04 105.19 106.38 3hgu n GLY 341 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3hgu n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hgu s PHE 342 N -2.67 3.43 0.67 1.61 0.40 -1.24 -5.08 117.98 115.11 3hgu s PHE 342 Ca 0.00 0.87 -0.15 0.00 -0.60 0.00 0.00 56.93 57.04 3hgu s PHE 342 Cb 0.00 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.28 3hgu s PHE 342 CO 0.00 0.21 1.14 0.00 0.70 0.00 0.00 175.22 177.27 3hgu s ALA 343 N -1.92 2.38 0.00 5.36 0.00 -1.26 -4.79 121.76 121.53 3hgu s ALA 343 Ca 0.47 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3hgu s ALA 343 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3hgu s ALA 343 CO 0.23 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.98 3hgu n GLY 344 N -0.21 2.60 3.86 0.00 0.00 -1.26 -4.78 105.19 105.40 3hgu n GLY 344 Ca 0.11 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3hgu n GLY 344 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hgu s ASP 345 N 0.00 6.51 0.24 1.61 1.01 -0.33 -3.87 116.67 121.85 3hgu s ASP 345 Ca 0.00 1.39 -0.07 0.00 0.71 0.00 0.00 52.55 54.59 3hgu s ASP 345 Cb 0.00 -2.44 -0.06 0.00 1.01 0.00 0.00 42.92 41.43 3hgu s ASP 345 CO 0.00 -0.58 0.53 -0.60 0.21 0.00 0.00 175.17 174.72 3hgu s ARG 346 N -4.23 3.70 0.13 8.23 3.52 -0.15 -4.42 118.95 125.73 3hgu s ARG 346 Ca 0.56 0.10 0.10 0.00 -0.13 0.00 0.00 55.73 56.36 3hgu s ARG 346 Cb -0.10 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 3hgu s ARG 346 CO 0.36 0.29 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.39 3hgu s LEU 347 N -3.13 2.45 0.03 -0.88 1.43 -0.84 -1.03 118.68 116.71 3hgu s LEU 347 Ca 0.45 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3hgu s LEU 347 Cb -0.11 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3hgu s LEU 347 CO 0.26 0.18 -0.07 0.00 0.23 0.00 0.00 176.35 176.95 3hgu s ALA 348 N -1.09 0.51 -0.89 4.21 0.00 -0.59 0.11 121.76 124.02 3hgu s ALA 348 Ca 0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 3hgu s ALA 348 Cb -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3hgu s ALA 348 CO 0.07 0.00 0.72 -0.25 0.00 0.00 0.00 175.76 176.31 3hgu n ASP 349 N 1.83 -6.36 -4.76 0.00 8.00 0.38 -0.58 116.55 115.06 3hgu n ASP 349 Ca -0.20 -0.59 -0.41 0.00 0.71 0.00 0.00 54.79 54.30 3hgu n ASP 349 Cb 0.56 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 37.69 3hgu n ASP 349 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hgu s ILE 350 N -3.15 3.10 0.15 0.53 -1.09 -1.26 -4.34 121.20 115.14 3hgu s ILE 350 Ca 0.16 1.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.68 3hgu s ILE 350 Cb -0.05 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3hgu s ILE 350 CO 0.81 0.23 -0.09 -1.61 -1.23 0.00 0.00 174.94 173.06 3hgu s GLU 351 N -1.29 1.08 0.53 2.79 2.02 0.06 -4.64 118.70 119.24 3hgu s GLU 351 Ca 0.49 -1.47 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 3hgu s GLU 351 Cb -0.36 -0.59 -0.06 0.00 0.10 0.00 0.00 34.13 33.22 3hgu s GLU 351 CO 0.46 0.05 1.19 -2.14 0.02 0.00 0.00 175.26 174.83 3hgu s PRO 352 N -3.77 3.35 -0.02 0.39 0.02 -1.26 -0.83 135.00 132.89 3hgu s PRO 352 Ca 0.18 1.79 -0.37 0.00 0.02 0.00 0.00 61.00 62.62 3hgu s PRO 352 Cb 0.03 -2.14 -0.16 0.00 0.02 0.00 0.00 34.50 32.26 3hgu s PRO 352 CO 0.01 -0.90 1.52 -0.11 -0.33 0.00 0.00 177.00 177.20 3hgu n LEU 353 N -1.10 2.16 -0.10 -5.54 0.00 0.26 -4.59 117.00 108.10 3hgu n LEU 353 Ca 0.11 1.09 0.16 0.00 0.00 0.00 0.00 56.01 57.36 3hgu n LEU 353 Cb 0.49 -1.22 0.86 0.00 0.00 0.00 0.00 43.42 43.55 3hgu n LEU 353 CO 0.46 -0.71 1.06 0.29 0.00 0.00 0.00 177.39 178.49