#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgu n TYR 4 N 0.00 0.00 -0.07 2.11 4.01 -1.26 -4.83 117.16 117.12 3hgu n TYR 4 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3hgu n TYR 4 Cb 0.00 -0.45 -0.07 0.00 -0.31 0.00 0.00 39.34 38.51 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 0.00 -1.52 0.58 7.72 0.02 -1.99 0.58 113.55 118.94 3hgu h SER 5 Ca 0.00 0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3hgu h SER 5 Cb 0.00 0.63 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3hgu h SER 5 CO 0.00 -0.41 -0.28 -0.07 -1.14 0.00 0.00 176.83 174.92 3hgu h LEU 6 N -0.44 0.00 -0.27 5.07 3.38 -1.98 0.12 115.31 121.19 3hgu h LEU 6 Ca 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 3hgu h LEU 6 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hgu h LEU 6 CO -0.50 0.28 -0.51 -0.08 0.09 0.00 0.00 178.44 177.72 3hgu h GLU 7 N 0.00 0.83 -0.01 1.13 4.81 -1.81 -2.50 114.58 117.02 3hgu h GLU 7 Ca -0.00 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3hgu h GLU 7 Cb 0.65 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 3hgu h GLU 7 CO 0.04 1.15 -0.02 0.82 -0.73 0.00 0.00 179.01 180.27 3hgu h ILE 8 N 0.59 1.43 -0.75 2.32 2.04 -0.56 -2.86 117.51 119.72 3hgu h ILE 8 Ca 0.01 -1.30 0.20 0.00 1.00 0.00 0.00 64.86 64.77 3hgu h ILE 8 Cb 1.11 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 39.44 3hgu h ILE 8 CO 0.11 0.34 0.53 0.44 0.00 0.00 0.00 178.15 179.58 3hgu h ASP 9 N -0.49 0.08 0.41 1.72 5.19 -1.03 -1.29 116.42 121.00 3hgu h ASP 9 Ca 0.00 0.01 -0.28 0.00 -0.62 0.00 0.00 57.03 56.14 3hgu h ASP 9 Cb 0.57 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 40.09 3hgu h ASP 9 CO 0.01 0.03 -1.23 0.00 -3.12 0.00 0.00 179.24 174.93 3hgu h ALA 10 N 1.64 0.09 -0.95 3.45 0.00 -1.42 -1.44 119.26 120.62 3hgu h ALA 10 Ca 0.36 -0.82 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3hgu h ALA 10 Cb 1.32 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3hgu h ALA 10 CO -0.03 0.84 0.63 0.28 0.00 0.00 0.00 179.25 180.97 3hgu h VAL 11 N 0.16 1.24 -0.23 0.00 2.07 -1.03 -0.87 116.25 117.59 3hgu h VAL 11 Ca -0.16 -0.44 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 3hgu h VAL 11 Cb 1.92 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3hgu h VAL 11 CO 0.22 0.24 -0.52 0.24 0.02 0.00 0.00 177.57 177.76 3hgu h MET 12 N 1.29 0.66 -0.51 1.57 2.07 -1.27 -2.25 114.93 116.49 3hgu h MET 12 Ca 0.35 -0.40 -0.08 0.00 -2.07 0.00 0.00 59.70 57.50 3hgu h MET 12 Cb -0.15 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 3hgu h MET 12 CO -0.08 1.02 0.01 -0.22 1.07 0.00 0.00 176.91 178.71 3hgu h LYS 13 N 0.51 0.89 -0.62 1.72 3.64 -1.08 0.13 116.57 121.76 3hgu h LYS 13 Ca 0.02 -0.28 0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3hgu h LYS 13 Cb 1.08 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.73 3hgu h LYS 13 CO 0.11 0.91 0.10 0.00 -2.27 0.00 0.00 179.45 178.29 3hgu h ALA 14 N 0.94 0.71 -0.25 5.00 0.00 -1.00 -1.72 119.26 122.93 3hgu h ALA 14 Ca 0.14 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3hgu h ALA 14 Cb 0.51 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hgu h ALA 14 CO 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 179.25 178.93 3hgu h ALA 15 N 1.52 0.34 -0.97 0.00 0.00 -1.18 0.16 119.26 119.13 3hgu h ALA 15 Ca 0.33 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3hgu h ALA 15 Cb 0.52 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3hgu h ALA 15 CO -0.45 0.07 0.61 0.37 0.00 0.00 0.00 179.25 179.84 3hgu h GLN 16 N 0.22 0.95 -0.71 0.00 4.15 -0.18 -1.76 115.11 117.78 3hgu h GLN 16 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hgu h GLN 16 Cb 0.42 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3hgu h GLN 16 CO 0.01 0.63 0.00 0.44 -1.93 0.00 0.00 178.83 177.98 3hgu n ILE 17 N -4.63 0.94 -2.69 2.39 -5.35 -0.72 -4.95 119.36 104.35 3hgu n ILE 17 Ca 0.18 -0.95 -0.16 0.00 -0.27 0.00 0.00 62.75 61.55 3hgu n ILE 17 Cb 0.32 0.48 0.02 0.00 -1.74 0.00 0.00 39.64 38.72 3hgu n ILE 17 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3hgu n ASN 18 N 1.58 -4.84 -3.74 7.28 5.15 -0.66 -4.92 115.26 115.10 3hgu n ASN 18 Ca 0.24 -0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.64 3hgu n ASN 18 Cb 0.60 -3.77 -0.00 0.00 -0.53 0.00 0.00 39.78 36.08 3hgu n ASN 18 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3hgu n ASP 19 N -1.26 5.15 -0.13 1.20 -0.08 0.53 -4.82 116.55 117.13 3hgu n ASP 19 Ca -0.11 -2.98 -0.06 0.00 -1.51 0.00 0.00 54.79 50.13 3hgu n ASP 19 Cb 0.60 -1.54 0.02 0.00 2.34 0.00 0.00 41.12 42.55 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 3.68 0.98 -0.50 5.18 2.02 -1.91 -2.34 112.91 120.02 3hgu h THR 20 Ca 0.52 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.56 3hgu h THR 20 Cb 0.58 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3hgu h THR 20 CO 1.72 0.08 0.31 0.78 0.37 0.00 0.00 175.52 178.79 3hgu h ASN 21 N 0.43 0.52 1.44 4.18 4.21 -1.88 -1.59 115.58 122.89 3hgu h ASN 21 Ca 0.18 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3hgu h ASN 21 Cb 0.08 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3hgu h ASN 21 CO -0.12 0.37 0.00 0.78 -1.29 0.00 0.00 177.43 177.17 3hgu h ASN 22 N 0.63 0.00 0.22 5.81 4.21 -1.82 -2.43 115.58 122.21 3hgu h ASN 22 Ca 0.20 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 3hgu h ASN 22 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3hgu h ASN 22 CO -0.07 0.00 -0.11 0.15 -1.29 0.00 0.00 177.43 176.11 3hgu h PHE 23 N 0.00 -0.28 -0.46 1.19 3.04 -0.90 -2.27 116.94 117.26 3hgu h PHE 23 Ca 0.00 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.01 3hgu h PHE 23 Cb 0.72 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.26 3hgu h PHE 23 CO 0.00 0.10 0.14 0.28 -2.02 0.00 0.00 178.31 176.81 3hgu h VAL 24 N -0.88 0.82 0.57 1.41 2.07 -1.28 -2.34 116.25 116.61 3hgu h VAL 24 Ca -0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3hgu h VAL 24 Cb 0.51 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hgu h VAL 24 CO 0.05 0.05 -0.27 1.56 0.02 0.00 0.00 177.57 178.98 3hgu h GLN 25 N 0.30 -0.73 -0.65 1.57 4.20 -1.55 -0.07 115.11 118.17 3hgu h GLN 25 Ca 0.22 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.11 3hgu h GLN 25 Cb 0.24 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 3hgu h GLN 25 CO -0.25 -0.46 0.44 0.00 -0.67 0.00 0.00 178.83 177.90 3hgu h ALA 26 N -0.44 2.15 0.00 3.87 0.00 -1.36 -1.78 119.26 121.71 3hgu h ALA 26 Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3hgu h ALA 26 Cb 0.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hgu h ALA 26 CO 0.13 -0.32 -1.04 -0.07 0.00 0.00 0.00 179.25 177.95 3hgu h LEU 27 N 0.33 0.00 -0.62 0.00 3.38 -1.22 -0.22 115.31 116.96 3hgu h LEU 27 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3hgu h LEU 27 Cb 0.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3hgu h LEU 27 CO -0.08 0.50 0.23 0.24 0.09 0.00 0.00 178.44 179.42 3hgu h MET 28 N 0.00 0.95 0.46 1.13 2.86 -0.44 0.24 114.93 120.13 3hgu h MET 28 Ca -0.09 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3hgu h MET 28 Cb 1.46 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.98 3hgu h MET 28 CO 0.05 0.81 -0.22 0.00 1.06 0.00 0.00 176.91 178.61 3hgu h ARG 29 N 0.88 -0.59 -0.49 1.72 3.08 -1.32 -0.84 114.38 116.82 3hgu h ARG 29 Ca 0.21 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.38 3hgu h ARG 29 Cb 0.24 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.32 3hgu h ARG 29 CO -0.01 -0.36 -0.40 2.35 -1.07 0.00 0.00 179.97 180.48 3hgu h TRP 30 N -0.69 -1.15 0.00 3.04 2.91 -0.87 0.14 115.95 119.32 3hgu h TRP 30 Ca -0.06 0.07 -0.05 0.00 1.13 0.00 0.00 58.89 59.98 3hgu h TRP 30 Cb 0.51 0.58 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 3hgu h TRP 30 CO -0.03 -0.42 -0.23 0.45 -1.03 0.00 0.00 178.44 177.19 3hgu h HIS 31 N -0.26 0.00 -0.15 2.65 3.86 -0.48 -2.93 115.15 117.83 3hgu h HIS 31 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3hgu h HIS 31 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3hgu h HIS 31 CO -0.64 0.23 0.00 1.19 0.86 0.00 0.00 177.93 179.57 3hgu n PHE 32 N -3.38 0.19 -2.54 2.45 3.72 -0.33 -3.98 117.46 113.60 3hgu n PHE 32 Ca 0.00 -0.21 -0.37 0.00 -0.05 0.00 0.00 57.45 56.82 3hgu n PHE 32 Cb 0.44 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.95 6.80 0.47 4.37 0.01 0.41 -4.92 113.70 119.90 3hgu s SER 33 Ca 0.17 2.06 0.25 0.00 1.31 0.00 0.00 55.95 59.74 3hgu s SER 33 Cb 0.10 -2.59 1.16 0.00 0.21 0.00 0.00 66.02 64.90 3hgu s SER 33 CO 0.14 -0.46 1.94 0.11 0.41 0.00 0.00 173.24 175.38 3hgu h LYS 34 N 2.63 0.00 0.22 12.44 1.57 -1.92 -0.05 116.57 131.46 3hgu h LYS 34 Ca -0.48 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.96 3hgu h LYS 34 Cb 1.21 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.55 3hgu h LYS 34 CO 0.63 0.19 -1.58 0.93 -0.57 0.00 0.00 179.45 179.05 3hgu h GLU 35 N 0.00 0.48 0.00 3.15 3.07 -1.94 -3.41 114.58 115.92 3hgu h GLU 35 Ca -0.00 -0.81 0.00 0.00 -0.50 0.00 0.00 59.36 58.05 3hgu h GLU 35 Cb 0.56 0.30 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3hgu h GLU 35 CO 0.02 1.39 -1.39 0.25 -1.40 0.00 0.00 179.01 177.88 3hgu n THR 36 N -3.68 0.00 -0.70 1.13 -2.24 -1.21 -4.08 114.28 103.49 3hgu n THR 36 Ca -0.20 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 3hgu n THR 36 Cb 1.08 0.32 0.24 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 -3.07 1.52 0.06 3.38 0.00 -0.04 -1.44 107.32 107.73 3hgu s GLY 37 Ca -0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 3hgu s GLY 37 CO 0.42 0.36 0.33 -1.35 0.00 0.00 0.00 173.10 172.86 3hgu s SER 38 N -2.98 6.54 0.47 1.64 1.04 -1.26 -0.64 113.70 118.50 3hgu s SER 38 Ca 0.68 0.64 0.27 0.00 0.48 0.00 0.00 55.95 58.01 3hgu s SER 38 Cb -0.20 -2.12 1.31 0.00 0.10 0.00 0.00 66.02 65.12 3hgu s SER 38 CO 0.61 0.19 1.80 -0.65 0.98 0.00 0.00 173.24 176.17 3hgu h PRO 39 N 3.65 0.20 -0.07 4.02 0.11 -1.67 -1.16 132.00 137.07 3hgu h PRO 39 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3hgu h PRO 39 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hgu h PRO 39 CO 0.68 0.13 -0.08 0.35 -0.21 0.00 0.00 178.00 178.87 3hgu h PHE 40 N 0.20 0.22 0.00 0.65 3.57 -0.95 -1.98 116.94 118.66 3hgu h PHE 40 Ca 0.56 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.89 3hgu h PHE 40 Cb 1.80 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.48 3hgu h PHE 40 CO -0.00 0.63 -0.50 -1.49 -2.23 0.00 0.00 178.31 174.72 3hgu h TRP 41 N -0.25 0.00 -0.25 0.41 -0.00 -1.73 -2.62 115.95 111.50 3hgu h TRP 41 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 3hgu h TRP 41 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 3hgu h TRP 41 CO 0.09 0.50 -0.04 -0.07 -0.00 0.00 0.00 178.44 178.92 3hgu h LEU 42 N 0.00 0.46 0.00 -4.49 3.38 -1.23 -2.87 115.31 110.56 3hgu h LEU 42 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hgu h LEU 42 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hgu h LEU 42 CO 0.06 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.90 3hgu n GLY 43 N -0.22 -1.02 0.04 0.83 0.00 -0.75 -3.15 105.19 100.93 3hgu n GLY 43 Ca -0.04 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.85 3hgu n GLY 43 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hgu n MET 44 N -1.03 0.66 -0.20 1.61 0.00 -0.99 -4.67 117.12 112.50 3hgu n MET 44 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 57.70 57.81 3hgu n MET 44 Cb 0.12 -1.56 0.10 0.00 0.00 0.00 0.00 33.22 31.88 3hgu n MET 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3hgu h ARG 45 N 0.00 0.41 -0.30 2.12 2.43 -1.46 -3.14 114.38 114.45 3hgu h ARG 45 Ca -0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3hgu h ARG 45 Cb 1.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3hgu h ARG 45 CO 0.01 0.27 0.16 0.93 -1.51 0.00 0.00 179.97 179.83 3hgu h GLU 46 N 0.42 0.42 0.00 0.20 4.39 -1.83 -2.47 114.58 115.72 3hgu h GLU 46 Ca 0.29 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3hgu h GLU 46 Cb 0.34 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hgu h GLU 46 CO -0.28 0.37 0.00 0.00 -1.16 0.00 0.00 179.01 177.93 3hgu n GLN 47 N -4.81 0.75 -2.75 2.33 10.64 -1.18 -4.72 117.38 117.64 3hgu n GLN 47 Ca -0.02 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.74 3hgu n GLN 47 Cb 0.08 -1.30 -0.04 0.00 -0.86 0.00 0.00 30.24 28.12 3hgu n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3hgu s LEU 48 N -1.60 4.47 0.00 2.61 1.43 -0.93 -4.95 118.68 119.71 3hgu s LEU 48 Ca 0.22 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3hgu s LEU 48 Cb 0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3hgu s LEU 48 CO 0.17 -0.09 0.45 0.59 0.23 0.00 0.00 176.35 177.69 3hgu n ASN 49 N 2.99 1.05 -2.88 2.29 3.02 -1.26 -4.81 115.26 115.67 3hgu n ASN 49 Ca 0.03 -1.49 -0.08 0.00 -0.03 0.00 0.00 54.58 53.01 3hgu n ASN 49 Cb 0.50 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.74 0.15 -0.27 3.10 -0.12 -1.26 -5.14 117.98 113.70 3hgu s PHE 50 Ca 0.00 -0.82 -0.03 0.00 -0.05 0.00 0.00 56.93 56.03 3hgu s PHE 50 Cb 0.00 0.84 0.02 0.00 -0.63 0.00 0.00 43.02 43.25 3hgu s PHE 50 CO 0.00 -1.53 -0.01 0.34 -0.05 0.00 0.00 175.22 173.97 3hgu s ASP 51 N -3.14 4.62 0.43 1.98 -1.08 -1.26 -4.99 116.67 113.22 3hgu s ASP 51 Ca 0.17 -0.86 0.12 0.00 -0.52 0.00 0.00 52.55 51.46 3hgu s ASP 51 Cb -0.05 -1.73 0.93 0.00 -1.46 0.00 0.00 42.92 40.61 3hgu s ASP 51 CO 0.11 -0.16 1.99 -0.65 0.52 0.00 0.00 175.17 176.98 3hgu h PRO 52 N 8.08 0.16 0.03 4.34 0.11 -1.95 0.64 132.00 143.40 3hgu h PRO 52 Ca -0.31 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.53 3hgu h PRO 52 Cb 1.11 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3hgu h PRO 52 CO 0.58 0.26 -1.01 0.82 -0.21 0.00 0.00 178.00 178.44 3hgu h ILE 53 N 0.16 1.39 0.05 4.15 2.04 -1.89 -3.30 117.51 120.11 3hgu h ILE 53 Ca 0.04 -2.50 -0.35 0.00 1.00 0.00 0.00 64.86 63.04 3hgu h ILE 53 Cb 0.25 2.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 3hgu h ILE 53 CO 0.01 0.75 -2.00 0.29 0.00 0.00 0.00 178.15 177.21 3hgu n LYS 54 N -3.73 0.67 -0.60 2.37 4.01 -1.06 -4.52 118.16 115.29 3hgu n LYS 54 Ca -0.08 0.32 0.05 0.00 -0.51 0.00 0.00 58.31 58.09 3hgu n LYS 54 Cb 0.87 -1.65 0.27 0.00 -0.51 0.00 0.00 35.03 34.02 3hgu n LYS 54 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3hgu n ASP 55 N -3.78 4.18 -3.74 4.39 8.00 0.22 -4.75 116.55 121.08 3hgu n ASP 55 Ca -0.38 -2.62 -0.25 0.00 0.71 0.00 0.00 54.79 52.24 3hgu n ASP 55 Cb 0.92 -0.63 -0.17 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.18 0.38 -0.05 2.53 1.01 -1.24 -4.94 120.40 115.91 3hgu s VAL 56 Ca 0.37 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3hgu s VAL 56 Cb 0.28 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 3hgu s VAL 56 CO 0.11 -0.01 0.02 0.29 0.00 0.00 0.00 175.10 175.51 3hgu n LYS 57 N 5.12 3.13 -4.29 2.72 4.76 -1.26 -4.73 118.16 123.61 3hgu n LYS 57 Ca -0.08 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.20 3hgu n LYS 57 Cb 0.49 -1.13 -0.10 0.00 -1.84 0.00 0.00 35.03 32.45 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 -2.13 0.69 0.26 -0.18 -4.23 -1.26 -4.59 115.64 104.20 3hgu s THR 58 Ca -0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3hgu s THR 58 Cb 0.02 -2.39 0.25 0.00 1.34 0.00 0.00 72.50 71.72 3hgu s THR 58 CO 0.21 -0.24 1.83 0.40 -0.54 0.00 0.00 174.62 176.28 3hgu h ILE 59 N 2.52 0.94 -0.43 2.99 1.08 -1.95 -1.75 117.51 120.91 3hgu h ILE 59 Ca -0.38 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 3hgu h ILE 59 Cb 1.23 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 3hgu h ILE 59 CO 0.62 0.17 0.09 -1.13 -0.69 0.00 0.00 178.15 177.21 3hgu h ASN 60 N 0.94 0.60 -0.11 1.72 -1.24 -2.02 -2.04 115.58 113.43 3hgu h ASN 60 Ca 0.45 -0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.39 3hgu h ASN 60 Cb 0.39 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 3hgu h ASN 60 CO -0.25 0.62 0.16 0.44 -1.29 0.00 0.00 177.43 177.11 3hgu h ASP 61 N 0.63 0.00 0.29 1.15 3.32 -1.70 -2.55 116.42 117.57 3hgu h ASP 61 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hgu h ASP 61 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hgu h ASP 61 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3hgu n LEU 62 N -3.62 0.00 0.24 1.55 4.77 -0.76 -2.77 117.00 116.40 3hgu n LEU 62 Ca -0.00 0.47 0.16 0.00 -0.03 0.00 0.00 56.01 56.61 3hgu n LEU 62 Cb 0.26 -0.47 0.86 0.00 -2.33 0.00 0.00 43.42 41.74 3hgu n LEU 62 CO 0.25 -0.33 1.14 0.03 -1.33 0.00 0.00 177.39 177.15 3hgu h ARG 63 N 0.00 0.00 -0.02 3.23 3.08 -1.66 -2.15 114.38 116.87 3hgu h ARG 63 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3hgu h ARG 63 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3hgu h ARG 63 CO 0.00 0.00 -0.53 1.96 -1.07 0.00 0.00 179.97 180.33 3hgu h GLN 64 N 0.00 0.04 -7.00 0.04 4.20 -1.79 -3.43 115.11 107.17 3hgu h GLN 64 Ca 0.05 -0.02 -0.54 0.00 0.06 0.00 0.00 58.65 58.20 3hgu h GLN 64 Cb 0.30 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.20 3hgu h GLN 64 CO -0.00 0.56 0.66 -0.06 -0.67 0.00 0.00 178.83 179.32 3hgu s PHE 65 N -3.84 2.47 0.39 2.96 0.08 -0.81 -5.00 117.98 114.23 3hgu s PHE 65 Ca -0.02 1.32 0.02 0.00 0.12 0.00 0.00 56.93 58.36 3hgu s PHE 65 Cb 0.13 -3.84 -0.01 0.00 -0.57 0.00 0.00 43.02 38.73 3hgu s PHE 65 CO 0.76 -2.78 0.59 -1.12 -0.10 0.00 0.00 175.22 172.57 3hgu s SER 66 N -0.68 6.01 -0.45 1.36 0.01 -1.26 -4.83 113.70 113.85 3hgu s SER 66 Ca 0.63 0.25 -0.28 0.00 1.31 0.00 0.00 55.95 57.86 3hgu s SER 66 Cb -0.42 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.18 3hgu s SER 66 CO 0.52 -0.51 1.51 -0.62 0.41 0.00 0.00 173.24 174.55 3hgu s ASP 67 N -4.15 6.13 -0.06 2.44 -1.08 -1.26 -4.73 116.67 113.96 3hgu s ASP 67 Ca 0.45 0.72 0.05 0.00 -0.52 0.00 0.00 52.55 53.24 3hgu s ASP 67 Cb -0.10 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.07 3hgu s ASP 67 CO 0.36 -1.62 0.92 2.30 0.52 0.00 0.00 175.17 177.64 3hgu n ILE 68 N 7.09 0.76 0.20 4.11 -6.64 -1.26 -4.55 119.36 119.07 3hgu n ILE 68 Ca 0.17 -0.40 0.06 0.00 -1.77 0.00 0.00 62.75 60.80 3hgu n ILE 68 Cb 0.48 -0.35 0.53 0.00 -1.44 0.00 0.00 39.64 38.86 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 1.22 0.08 0.55 7.28 0.02 -1.94 0.67 113.55 121.42 3hgu h SER 69 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hgu h SER 69 Cb 0.86 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3hgu h SER 69 CO 0.13 0.16 0.00 1.12 -1.14 0.00 0.00 176.83 177.09 3hgu h HIS 70 N 0.09 0.00 -0.22 3.45 2.07 -2.03 -2.19 115.15 116.32 3hgu h HIS 70 Ca 0.02 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.43 3hgu h HIS 70 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 3hgu h HIS 70 CO 0.00 0.00 -0.33 0.00 -3.07 0.00 0.00 177.93 174.53 3hgu n LEU 72 N -4.07 0.00 0.12 0.00 4.77 -0.82 -2.12 117.00 114.87 3hgu n LEU 72 Ca -0.01 0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 3hgu n LEU 72 Cb 0.46 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 3hgu n LEU 72 CO 0.43 -0.24 0.62 0.03 -1.33 0.00 0.00 177.39 176.90 3hgu h ARG 73 N 0.00 -0.29 0.00 3.23 3.08 -1.74 -0.42 114.38 118.24 3hgu h ARG 73 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hgu h ARG 73 Cb 0.24 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hgu h ARG 73 CO 0.00 0.01 -1.08 1.04 -1.07 0.00 0.00 179.97 178.86 3hgu n GLN 74 N -5.10 1.67 -1.68 0.04 6.02 -1.12 -4.74 117.38 112.47 3hgu n GLN 74 Ca -0.09 -0.06 -0.50 0.00 -0.01 0.00 0.00 57.00 56.34 3hgu n GLN 74 Cb 0.23 -1.18 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 3hgu n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hgu n GLU 75 N -1.62 1.99 -1.66 -1.09 4.07 -0.90 -4.90 120.64 116.53 3hgu n GLU 75 Ca -0.00 0.73 -0.47 0.00 -0.06 0.00 0.00 57.16 57.36 3hgu n GLU 75 Cb 0.25 -2.54 -0.04 0.00 -0.06 0.00 0.00 31.44 29.05 3hgu n GLU 75 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3hgu n PRO 76 N 6.03 1.98 0.23 5.31 -0.02 -1.26 -4.87 135.00 142.40 3hgu n PRO 76 Ca 0.23 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.50 3hgu n PRO 76 Cb 0.27 -2.44 0.56 0.00 -0.02 0.00 0.00 33.50 31.86 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 3.46 0.87 -0.67 -1.45 -1.51 -1.94 0.11 116.25 115.12 3hgu h VAL 77 Ca -0.45 -0.80 0.14 0.00 -1.23 0.00 0.00 66.70 64.36 3hgu h VAL 77 Cb 1.27 1.47 -0.04 0.00 -2.13 0.00 0.00 31.29 31.86 3hgu h VAL 77 CO 0.85 0.21 0.46 0.00 -1.23 0.00 0.00 177.57 177.85 3hgu h ALA 78 N 1.79 2.19 0.00 5.19 0.00 -1.99 -1.89 119.26 124.54 3hgu h ALA 78 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hgu h ALA 78 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hgu h ALA 78 CO 0.03 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.00 3hgu n ASN 79 N -4.45 0.68 0.01 0.00 5.03 0.02 -2.21 115.26 114.33 3hgu n ASN 79 Ca 0.12 0.66 0.13 0.00 0.87 0.00 0.00 54.58 56.36 3hgu n ASN 79 Cb 0.52 -0.81 0.34 0.00 -1.02 0.00 0.00 39.78 38.81 3hgu n ASN 79 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3hgu n LEU 80 N -2.24 0.40 -4.65 3.41 4.77 -0.71 -0.22 117.00 117.76 3hgu n LEU 80 Ca 0.02 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 3hgu n LEU 80 Cb 0.24 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3hgu n LEU 80 CO 0.20 0.06 1.07 -0.69 -1.33 0.00 0.00 177.39 176.70 3hgu s VAL 81 N -3.02 4.31 0.05 4.08 1.01 -0.94 -4.85 120.40 121.03 3hgu s VAL 81 Ca 0.11 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 3hgu s VAL 81 Cb 0.17 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 3hgu s VAL 81 CO 0.65 -0.27 1.74 -2.84 0.00 0.00 0.00 175.10 174.38 3hgu s PRO 82 N 3.67 4.18 0.55 2.72 0.02 -1.26 -4.13 135.00 140.75 3hgu s PRO 82 Ca 0.53 2.39 0.26 0.00 0.02 0.00 0.00 61.00 64.21 3hgu s PRO 82 Cb -0.19 -3.78 1.47 0.00 0.02 0.00 0.00 34.50 32.02 3hgu s PRO 82 CO 0.16 -0.81 2.01 1.96 -0.33 0.00 0.00 177.00 179.99 3hgu h GLN 83 N 9.03 0.00 0.00 5.54 4.20 -0.38 -2.01 115.11 131.49 3hgu h GLN 83 Ca -0.44 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 3hgu h GLN 83 Cb 1.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 3hgu h GLN 83 CO 0.94 0.00 -0.11 0.78 -0.67 0.00 0.00 178.83 179.77 3hgu h GLY 84 N 0.00 0.00 -3.77 3.46 0.00 -1.39 -3.45 103.07 97.92 3hgu h GLY 84 Ca 0.19 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.98 3hgu h GLY 84 CO -0.00 0.00 0.75 1.08 0.00 0.00 0.00 176.54 178.37 3hgu s LEU 85 N -6.62 4.25 0.37 3.11 1.43 -0.76 -4.80 118.68 115.67 3hgu s LEU 85 Ca -0.00 3.00 -0.27 0.00 -1.03 0.00 0.00 54.13 55.82 3hgu s LEU 85 Cb 0.10 -3.76 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 3hgu s LEU 85 CO 0.58 -0.96 1.28 -2.65 0.23 0.00 0.00 176.35 174.83 3hgu n PRO 86 N 0.25 2.07 0.33 1.29 -0.02 -1.26 -4.82 135.00 132.83 3hgu n PRO 86 Ca 0.02 0.73 0.20 0.00 -2.02 0.00 0.00 63.50 62.43 3hgu n PRO 86 Cb 0.40 -2.35 1.06 0.00 -0.02 0.00 0.00 33.50 32.59 3hgu n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hgu h ALA 87 N 2.39 1.19 -0.23 3.55 0.00 -1.91 -1.64 119.26 122.61 3hgu h ALA 87 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hgu h ALA 87 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hgu h ALA 87 CO 0.62 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 3hgu n ASP 88 N -3.11 2.78 0.00 0.00 5.68 -1.26 -4.66 116.55 115.99 3hgu n ASP 88 Ca -0.02 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 3hgu n ASP 88 Cb 0.19 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 3hgu n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hgu n SER 89 N 0.25 0.00 -0.66 -1.12 3.41 -0.62 -5.06 113.62 109.82 3hgu n SER 89 Ca 0.11 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3hgu n SER 89 Cb 0.60 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3hgu n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3hgu n HIS 90 N -1.93 0.00 -2.58 7.33 -0.00 -1.26 -4.87 115.22 111.91 3hgu n HIS 90 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 3hgu n HIS 90 Cb 0.00 -0.66 -0.04 0.00 -0.00 0.00 0.00 29.99 29.28 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 -0.07 4.64 -0.06 1.57 0.04 -1.26 -4.61 135.00 135.25 3hgu s PRO 91 Ca 0.00 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3hgu s PRO 91 Cb 0.00 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 3hgu s PRO 91 CO 0.00 0.15 -0.13 -0.65 0.04 0.00 0.00 177.00 176.42 3hgu s GLN 92 N -0.43 2.59 -0.05 4.56 -0.21 0.17 -4.92 119.66 121.37 3hgu s GLN 92 Ca 0.48 -0.66 -0.18 0.00 0.02 0.00 0.00 55.36 55.01 3hgu s GLN 92 Cb -0.28 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.24 3hgu s GLN 92 CO 0.34 0.62 0.51 0.54 -2.12 0.00 0.00 175.29 175.18 3hgu s VAL 93 N -0.70 5.04 0.20 1.09 0.11 -1.26 -0.17 120.40 124.70 3hgu s VAL 93 Ca 0.11 1.05 0.06 0.00 -2.93 0.00 0.00 61.98 60.27 3hgu s VAL 93 Cb -0.11 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.85 3hgu s VAL 93 CO 0.01 0.42 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.77 3hgu s TYR 94 N -0.06 1.59 0.13 1.54 2.02 -0.22 -4.86 117.35 117.48 3hgu s TYR 94 Ca 0.28 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3hgu s TYR 94 Cb -0.17 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 3hgu s TYR 94 CO 0.14 0.24 -0.02 -1.21 -1.57 0.00 0.00 175.55 173.13 3hgu s GLU 95 N -3.70 0.93 0.04 -0.62 2.02 -0.10 -0.75 118.70 116.53 3hgu s GLU 95 Ca 0.22 -1.41 -0.23 0.00 0.02 0.00 0.00 54.97 53.57 3hgu s GLU 95 Cb 0.01 -0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.17 3hgu s GLU 95 CO 0.06 -0.10 0.52 -1.54 0.02 0.00 0.00 175.26 174.21 3hgu s SER 96 N -3.08 -0.44 0.92 -0.19 1.04 -0.80 -4.65 113.70 106.50 3hgu s SER 96 Ca 0.18 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.80 3hgu s SER 96 Cb 0.06 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3hgu s SER 96 CO -0.01 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3hgu n GLY 97 N 0.44 2.51 3.32 7.32 0.00 -1.26 -0.05 105.19 117.47 3hgu n GLY 97 Ca -0.18 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 3hgu n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgu s ALA 102 N -1.92 3.97 0.53 4.61 0.00 -1.26 -4.76 121.76 122.92 3hgu s ALA 102 Ca 0.00 -3.13 0.06 0.00 0.00 0.00 0.00 51.96 48.88 3hgu s ALA 102 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.72 3hgu s ALA 102 CO 0.00 -2.21 0.41 -1.25 0.00 0.00 0.00 175.76 172.71 3hgu s PRO 103 N 0.50 2.27 -0.10 0.00 0.04 -1.26 -5.07 135.00 131.38 3hgu s PRO 103 Ca 0.14 -1.97 -0.14 0.00 0.04 0.00 0.00 61.00 59.07 3hgu s PRO 103 Cb -0.15 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3hgu s PRO 103 CO -0.06 -0.58 0.34 0.15 0.04 0.00 0.00 177.00 176.89 3hgu s LYS 104 N -4.27 4.09 -0.16 4.56 1.02 0.93 -4.26 119.74 121.66 3hgu s LYS 104 Ca 0.36 0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.50 3hgu s LYS 104 Cb -0.02 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3hgu s LYS 104 CO 0.22 0.41 0.09 0.71 -0.92 0.00 0.00 175.35 175.86 3hgu s TYR 105 N -0.10 3.37 0.25 3.18 1.51 -0.17 -1.91 117.35 123.49 3hgu s TYR 105 Ca 0.20 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 3hgu s TYR 105 Cb -0.14 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 3hgu s TYR 105 CO 0.08 0.38 0.08 0.14 -1.11 0.00 0.00 175.55 175.11 3hgu s VAL 106 N -0.15 0.65 0.09 0.71 -7.23 0.07 -4.80 120.40 109.75 3hgu s VAL 106 Ca 0.09 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.35 3hgu s VAL 106 Cb -0.12 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3hgu s VAL 106 CO 0.01 -0.08 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.79 3hgu s VAL 107 N -3.68 2.38 0.14 1.32 1.01 -1.26 -1.05 120.40 119.25 3hgu s VAL 107 Ca 0.35 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3hgu s VAL 107 Cb 0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3hgu s VAL 107 CO 0.12 0.22 0.16 0.00 0.00 0.00 0.00 175.10 175.60 3hgu s ALA 108 N -0.97 0.39 0.04 5.51 0.00 0.76 -4.94 121.76 122.54 3hgu s ALA 108 Ca 0.14 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3hgu s ALA 108 Cb -0.10 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3hgu s ALA 108 CO 0.05 -0.55 -0.10 0.71 0.00 0.00 0.00 175.76 175.87 3hgu s TYR 109 N -3.99 0.88 0.25 0.00 1.51 -1.26 -0.66 117.35 114.08 3hgu s TYR 109 Ca 0.19 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.81 3hgu s TYR 109 Cb 0.06 -0.52 0.36 0.00 -0.11 0.00 0.00 41.96 41.74 3hgu s TYR 109 CO -0.01 -0.02 1.85 -0.44 -1.11 0.00 0.00 175.55 175.83 3hgu h ASP 110 N 4.81 0.86 -0.93 2.29 3.32 -1.89 -2.19 116.42 122.70 3hgu h ASP 110 Ca -0.36 0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.74 3hgu h ASP 110 Cb 1.19 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 3hgu h ASP 110 CO 0.43 0.54 0.61 0.00 -1.72 0.00 0.00 179.24 179.10 3hgu h ALA 111 N 1.42 1.41 0.09 3.45 0.00 -1.97 0.13 119.26 123.79 3hgu h ALA 111 Ca 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hgu h ALA 111 Cb 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hgu h ALA 111 CO -0.18 0.51 -0.04 2.35 0.00 0.00 0.00 179.25 181.88 3hgu h TRP 112 N 1.17 -0.11 -0.74 0.00 2.91 -1.87 -1.71 115.95 115.60 3hgu h TRP 112 Ca 0.37 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.35 3hgu h TRP 112 Cb 0.00 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.66 3hgu h TRP 112 CO -0.00 0.11 0.34 0.82 -1.03 0.00 0.00 178.44 178.68 3hgu h ILE 113 N -0.33 1.24 -0.77 2.65 2.04 -0.96 -1.26 117.51 120.12 3hgu h ILE 113 Ca -0.01 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3hgu h ILE 113 Cb 0.28 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3hgu h ILE 113 CO 0.02 0.29 0.37 -0.33 0.00 0.00 0.00 178.15 178.49 3hgu h GLU 114 N 1.05 1.10 0.03 2.37 5.08 -0.71 -1.00 114.58 122.50 3hgu h GLU 114 Ca 0.25 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hgu h GLU 114 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3hgu h GLU 114 CO -0.03 0.85 -0.02 0.00 -1.00 0.00 0.00 179.01 178.82 3hgu h ALA 115 N 1.31 -0.04 -0.82 3.43 0.00 -0.63 -1.26 119.26 121.24 3hgu h ALA 115 Ca 0.27 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3hgu h ALA 115 Cb 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3hgu h ALA 115 CO -0.03 -0.45 0.50 1.25 0.00 0.00 0.00 179.25 180.52 3hgu h LEU 116 N -0.20 0.76 -0.08 0.00 5.85 -1.03 -1.64 115.31 118.97 3hgu h LEU 116 Ca -0.00 0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.49 3hgu h LEU 116 Cb 0.18 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.09 3hgu h LEU 116 CO 0.01 0.48 -1.02 0.40 -0.34 0.00 0.00 178.44 177.97 3hgu h ILE 117 N 0.89 1.36 -0.84 4.05 1.08 -1.08 0.10 117.51 123.07 3hgu h ILE 117 Ca 0.37 -2.42 0.06 0.00 -0.39 0.00 0.00 64.86 62.48 3hgu h ILE 117 Cb 0.21 2.46 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 3hgu h ILE 117 CO -0.19 0.73 0.55 0.28 -0.69 0.00 0.00 178.15 178.83 3hgu h SER 118 N 0.28 0.83 0.37 1.72 0.02 -0.98 0.21 113.55 115.99 3hgu h SER 118 Ca -0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3hgu h SER 118 Cb 1.67 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.03 3hgu h SER 118 CO 0.18 0.54 -0.18 -0.25 -1.14 0.00 0.00 176.83 175.98 3hgu h TRP 119 N 0.94 -0.46 -0.99 3.45 7.01 -0.98 -2.95 115.95 121.96 3hgu h TRP 119 Ca 0.36 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.50 3hgu h TRP 119 Cb 0.20 0.15 -0.09 0.00 -2.10 0.00 0.00 29.16 27.32 3hgu h TRP 119 CO -0.00 -0.14 0.62 -0.09 -2.79 0.00 0.00 178.44 176.04 3hgu h ARG 120 N -0.83 0.84 -0.38 2.65 2.43 -0.25 -1.51 114.38 117.34 3hgu h ARG 120 Ca -0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3hgu h ARG 120 Cb 0.53 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3hgu h ARG 120 CO 0.08 0.56 0.00 -1.33 -1.51 0.00 0.00 179.97 177.77 3hgu n MET 121 N -4.66 1.91 -0.13 0.20 2.81 0.67 -4.42 117.12 113.50 3hgu n MET 121 Ca 0.21 -1.41 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 3hgu n MET 121 Cb 0.46 -1.32 0.28 0.00 -0.71 0.00 0.00 33.22 31.93 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 2.33 0.72 -0.77 7.83 4.64 -1.08 0.72 113.55 127.94 3hgu h SER 122 Ca 0.00 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3hgu h SER 122 Cb 0.53 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 3hgu h SER 122 CO 0.00 0.59 0.38 1.23 -0.87 0.00 0.00 176.83 178.16 3hgu h GLY 123 N 0.89 1.20 1.90 -0.77 0.00 -1.81 -2.94 103.07 101.53 3hgu h GLY 123 Ca 0.21 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3hgu h GLY 123 CO -0.03 0.55 0.01 2.98 0.00 0.00 0.00 176.54 180.04 3hgu n TYR 124 N -4.32 0.00 0.00 5.60 9.36 0.24 -0.29 117.16 127.76 3hgu n TYR 124 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3hgu n TYR 124 Cb 0.13 -0.46 0.00 0.00 -0.63 0.00 0.00 39.34 38.39 3hgu n TYR 124 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3hgu n GLN 125 N -1.46 0.00 -1.21 2.98 7.27 -1.11 -4.46 117.38 119.40 3hgu n GLN 125 Ca 0.00 0.49 -0.29 0.00 0.07 0.00 0.00 57.00 57.26 3hgu n GLN 125 Cb 0.01 -1.01 -0.08 0.00 2.41 0.00 0.00 30.24 31.57 3hgu n GLN 125 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3hgu n HIS 126 N -1.96 1.56 -3.94 3.69 8.25 0.61 -4.78 115.22 118.65 3hgu n HIS 126 Ca 0.00 -2.52 -0.20 0.00 -0.26 0.00 0.00 57.72 54.74 3hgu n HIS 126 Cb 0.00 -2.17 -0.17 0.00 1.12 0.00 0.00 29.99 28.78 3hgu n HIS 126 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hgu s ARG 127 N 1.70 0.56 0.08 -0.41 0.52 0.42 -4.85 118.95 116.96 3hgu s ARG 127 Ca 0.69 0.04 -0.34 0.00 -0.52 0.00 0.00 55.73 55.60 3hgu s ARG 127 Cb 0.23 -0.77 -0.13 0.00 0.52 0.00 0.00 34.95 34.81 3hgu s ARG 127 CO -0.04 -0.18 1.71 -2.30 0.02 0.00 0.00 175.30 174.50 3hgu n PRO 128 N 4.51 2.25 -3.83 3.54 -0.02 -1.26 -3.44 135.00 136.75 3hgu n PRO 128 Ca -0.18 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 3hgu n PRO 128 Cb 0.50 -2.63 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 3hgu n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hgu n GLY 129 N 3.84 -0.79 3.59 -1.23 0.00 -1.26 -4.80 105.19 104.54 3hgu n GLY 129 Ca 0.19 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.43 1.27 -2.34 1.61 1.85 -1.22 -4.99 116.66 109.40 3hgu n ARG 130 Ca -0.15 0.45 -0.33 0.00 -1.00 0.00 0.00 57.85 56.82 3hgu n ARG 130 Cb 0.48 -1.97 -0.02 0.00 -1.05 0.00 0.00 32.46 29.90 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 -1.92 3.65 0.14 2.89 0.04 -1.26 -5.07 135.00 133.46 3hgu s PRO 131 Ca 0.63 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.93 3hgu s PRO 131 Cb -0.58 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 3hgu s PRO 131 CO 0.57 -0.54 -0.10 -1.54 0.04 0.00 0.00 177.00 175.43 3hgu s SER 132 N -2.49 1.76 0.00 6.66 1.04 -1.26 -4.97 113.70 114.44 3hgu s SER 132 Ca 0.64 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3hgu s SER 132 Cb -0.15 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3hgu s SER 132 CO 0.28 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3hgu n GLY 133 N -0.10 -0.30 3.80 7.32 0.00 -0.47 -4.92 105.19 110.52 3hgu n GLY 133 Ca -0.11 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.00 6.78 -0.14 1.61 0.01 -1.26 -2.72 114.94 115.23 3hgu s ASN 134 Ca 0.00 1.84 -0.02 0.00 -0.71 0.00 0.00 52.86 53.96 3hgu s ASN 134 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3hgu s ASN 134 CO 0.00 -0.47 -0.08 -0.89 -1.51 0.00 0.00 177.10 174.15 3hgu s THR 135 N -1.97 3.55 -0.35 1.60 2.01 -0.50 -0.84 115.64 119.14 3hgu s THR 135 Ca 0.61 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 3hgu s THR 135 Cb -0.14 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.85 3hgu s THR 135 CO 0.19 0.51 0.19 -0.22 -0.69 0.00 0.00 174.62 174.60 3hgu s LEU 136 N 0.31 4.51 -0.46 4.42 2.96 -0.08 0.20 118.68 130.54 3hgu s LEU 136 Ca -0.06 -0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 3hgu s LEU 136 Cb -0.15 -2.02 0.10 0.00 0.50 0.00 0.00 46.19 44.62 3hgu s LEU 136 CO 0.04 -0.32 0.34 0.00 -1.32 0.00 0.00 176.35 175.09 3hgu s ALA 137 N 1.58 3.40 -1.36 5.97 0.00 -0.04 -1.23 121.76 130.08 3hgu s ALA 137 Ca 0.03 -2.36 -0.07 0.00 0.00 0.00 0.00 51.96 49.56 3hgu s ALA 137 Cb -0.18 -2.84 0.10 0.00 0.00 0.00 0.00 23.12 20.19 3hgu s ALA 137 CO 0.07 -1.81 2.37 0.00 0.00 0.00 0.00 175.76 176.38 3hgu n ALA 138 N 4.98 6.61 -2.18 0.00 0.00 0.70 -4.12 120.51 126.50 3hgu n ALA 138 Ca -0.10 -4.04 -0.11 0.00 0.00 0.00 0.00 53.44 49.19 3hgu n ALA 138 Cb 0.42 -2.92 -0.10 0.00 0.00 0.00 0.00 19.45 16.84 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 -0.25 0.38 0.41 0.00 -5.25 -1.26 -4.66 121.20 110.57 3hgu s ILE 139 Ca 0.53 -1.92 -0.27 0.00 -0.99 0.00 0.00 60.65 58.00 3hgu s ILE 139 Cb 0.17 -1.96 -0.10 0.00 2.95 0.00 0.00 42.46 43.51 3hgu s ILE 139 CO -0.07 -0.58 1.46 -2.84 -1.79 0.00 0.00 174.94 171.11 3hgu s PRO 140 N -3.96 3.92 0.00 0.37 0.02 -1.26 -4.73 135.00 129.35 3hgu s PRO 140 Ca 0.20 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3hgu s PRO 140 Cb 0.07 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3hgu s PRO 140 CO 0.00 -0.66 0.00 0.25 -0.33 0.00 0.00 177.00 176.27 3hgu n THR 141 N 0.17 0.00 -0.50 0.99 -2.24 -1.26 -2.84 114.28 108.59 3hgu n THR 141 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3hgu n THR 141 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 3.03 0.00 3.38 0.00 -1.26 -0.56 105.19 114.78 3hgu n GLY 142 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 0.55 -3.45 1.61 -0.04 -1.26 -4.85 135.00 141.55 3hgu n PRO 143 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 3hgu n PRO 143 Cb 0.00 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 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 3.30 0.47 0.54 3.76 0.27 -0.92 115.29 120.71 3hgu s HIS 144 Ca 0.19 0.43 0.22 0.00 -0.15 0.00 0.00 55.06 55.76 3hgu s HIS 144 Cb 0.09 -2.49 1.35 0.00 1.11 0.00 0.00 32.58 32.64 3hgu s HIS 144 CO 0.15 -0.09 2.09 0.97 -0.85 0.00 0.00 174.74 177.00 3hgu h ILE 145 N 5.19 0.79 -0.71 0.60 2.10 -1.87 -1.81 117.51 121.80 3hgu h ILE 145 Ca -0.34 -0.42 0.12 0.00 1.08 0.00 0.00 64.86 65.29 3hgu h ILE 145 Cb 1.16 1.25 -0.05 0.00 -1.09 0.00 0.00 36.82 38.10 3hgu h ILE 145 CO 0.67 0.11 0.47 1.62 -1.08 0.00 0.00 178.15 179.94 3hgu h VAL 146 N 0.00 0.87 0.17 2.19 3.04 -1.93 -1.02 116.25 119.58 3hgu h VAL 146 Ca -0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3hgu h VAL 146 Cb 0.24 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 3hgu h VAL 146 CO 0.01 0.09 -0.14 1.23 -1.01 0.00 0.00 177.57 177.75 3hgu h GLY 147 N 0.51 -0.32 0.93 3.17 0.00 -1.17 -1.90 103.07 104.28 3hgu h GLY 147 Ca 0.34 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.85 3hgu h GLY 147 CO -0.11 -0.14 0.49 0.00 0.00 0.00 0.00 176.54 176.77 3hgu h ALA 148 N 0.48 0.97 -0.10 3.60 0.00 -1.43 0.38 119.26 123.16 3hgu h ALA 148 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hgu h ALA 148 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hgu h ALA 148 CO -0.02 0.31 0.05 0.82 0.00 0.00 0.00 179.25 180.41 3hgu h ILE 149 N 0.96 1.13 -0.42 0.00 2.04 -1.15 -1.92 117.51 118.16 3hgu h ILE 149 Ca 0.29 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3hgu h ILE 149 Cb -0.04 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3hgu h ILE 149 CO -0.09 0.11 0.10 0.78 0.00 0.00 0.00 178.15 179.05 3hgu h ASN 150 N 0.03 0.57 -0.49 1.72 2.35 -1.17 -0.83 115.58 117.76 3hgu h ASN 150 Ca 0.03 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3hgu h ASN 150 Cb 0.14 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3hgu h ASN 150 CO -0.00 0.58 0.28 0.50 -1.65 0.00 0.00 177.43 177.14 3hgu h LYS 151 N 0.61 0.55 -0.73 0.81 3.64 -0.66 -1.58 116.57 119.21 3hgu h LYS 151 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3hgu h LYS 151 Cb 0.24 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3hgu h LYS 151 CO -0.00 0.36 0.35 1.49 -2.27 0.00 0.00 179.45 179.38 3hgu h GLU 152 N 0.56 1.06 -0.45 1.90 4.57 -0.81 -2.25 114.58 119.15 3hgu h GLU 152 Ca 0.20 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3hgu h GLU 152 Cb 0.04 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 3hgu h GLU 152 CO -0.10 0.83 0.26 -0.09 -1.18 0.00 0.00 179.01 178.73 3hgu h ARG 153 N 1.03 0.51 -0.88 1.92 2.43 -0.87 -2.84 114.38 115.68 3hgu h ARG 153 Ca 0.25 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3hgu h ARG 153 Cb 0.12 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3hgu h ARG 153 CO -0.03 0.33 0.57 0.00 -1.51 0.00 0.00 179.97 179.33 3hgu h ALA 154 N 1.21 1.15 -1.00 2.80 0.00 -0.94 -1.57 119.26 120.90 3hgu h ALA 154 Ca 0.18 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3hgu h ALA 154 Cb 0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 17.41 3hgu h ALA 154 CO -0.09 0.43 0.62 1.25 0.00 0.00 0.00 179.25 181.46 3hgu h LEU 155 N 1.12 0.82 -1.02 0.00 5.85 -1.17 -1.21 115.31 119.70 3hgu h LEU 155 Ca 0.34 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.10 3hgu h LEU 155 Cb -0.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3hgu h LEU 155 CO -0.11 0.35 -0.22 0.03 -0.34 0.00 0.00 178.44 178.15 3hgu h ARG 156 N 0.83 0.00 -0.04 1.25 2.47 -1.21 -3.26 114.38 114.43 3hgu h ARG 156 Ca 0.55 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 3hgu h ARG 156 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 3hgu h ARG 156 CO -0.34 0.22 0.00 1.28 0.56 0.00 0.00 179.97 181.70 3hgu n LEU 157 N -3.35 1.09 -0.15 3.04 4.77 -0.46 -4.93 117.00 117.00 3hgu n LEU 157 Ca 0.00 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3hgu n LEU 157 Cb 0.45 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3hgu n LEU 157 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3hgu n GLY 158 N 1.10 0.60 0.00 -0.72 0.00 -1.22 -1.37 105.19 103.58 3hgu n GLY 158 Ca 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.83 2.97 3.87 -0.02 0.00 -1.10 -3.69 105.19 106.39 3hgu n GLY 159 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 0.25 3.02 -0.35 1.61 -1.94 -1.26 -4.46 119.30 116.16 3hgu s MET 160 Ca 0.00 -1.03 -0.16 0.00 -1.71 0.00 0.00 55.69 52.79 3hgu s MET 160 Cb 0.00 -2.64 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 3hgu s MET 160 CO 0.00 0.32 0.40 0.12 -0.01 0.00 0.00 175.02 175.86 3hgu s PHE 161 N -2.14 3.20 -0.01 -0.03 5.36 -1.26 -1.42 117.98 121.68 3hgu s PHE 161 Ca 0.36 -0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 56.29 3hgu s PHE 161 Cb -0.08 -2.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.81 3hgu s PHE 161 CO 0.27 -0.49 0.08 -0.06 -1.46 0.00 0.00 175.22 173.55 3hgu s PHE 162 N 2.11 3.29 0.41 10.12 0.40 0.13 -5.00 117.98 129.44 3hgu s PHE 162 Ca 0.13 0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.73 3hgu s PHE 162 Cb -0.16 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 3hgu s PHE 162 CO 0.12 0.55 0.18 -1.54 0.70 0.00 0.00 175.22 175.23 3hgu s SER 163 N -1.67 2.67 0.21 1.36 1.04 -1.26 -0.87 113.70 115.18 3hgu s SER 163 Ca 0.22 -1.75 0.01 0.00 0.48 0.00 0.00 55.95 54.91 3hgu s SER 163 Cb -0.12 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 3hgu s SER 163 CO 0.13 -1.02 0.06 0.27 0.98 0.00 0.00 173.24 173.66 3hgu s ILE 164 N -3.22 0.55 -0.11 -1.02 -4.36 -1.26 -4.94 121.20 106.85 3hgu s ILE 164 Ca 0.26 -1.99 -0.27 0.00 -0.26 0.00 0.00 60.65 58.39 3hgu s ILE 164 Cb 0.01 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.32 3hgu s ILE 164 CO 0.18 -0.22 0.87 -1.81 0.24 0.00 0.00 174.94 174.20 3hgu s ASP 165 N -3.23 7.09 -0.22 4.36 1.01 -1.26 -4.83 116.67 119.58 3hgu s ASP 165 Ca 0.32 1.33 -0.09 0.00 0.71 0.00 0.00 52.55 54.82 3hgu s ASP 165 Cb 0.07 -2.49 0.09 0.00 1.01 0.00 0.00 42.92 41.60 3hgu s ASP 165 CO 0.09 -0.34 0.50 -0.51 0.21 0.00 0.00 175.17 175.12 3hgu s ILE 166 N 1.70 -0.43 -0.63 0.77 2.07 -1.26 -4.87 121.20 118.56 3hgu s ILE 166 Ca 0.43 0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.70 3hgu s ILE 166 Cb -0.18 -0.76 0.16 0.00 0.13 0.00 0.00 42.46 41.82 3hgu s ILE 166 CO 0.17 0.04 0.47 -0.62 -1.91 0.00 0.00 174.94 173.09 3hgu s ASP 167 N 2.16 5.59 0.48 4.50 -1.08 -1.26 -4.66 116.67 122.39 3hgu s ASP 167 Ca -0.06 -2.64 0.21 0.00 -0.52 0.00 0.00 52.55 49.54 3hgu s ASP 167 Cb -0.10 -1.94 1.20 0.00 -1.46 0.00 0.00 42.92 40.63 3hgu s ASP 167 CO -0.15 -0.46 2.02 1.55 0.52 0.00 0.00 175.17 178.65 3hgu h PRO 168 N 7.43 0.00 -0.20 4.34 0.13 -2.00 -2.66 132.00 139.04 3hgu h PRO 168 Ca -0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 3hgu h PRO 168 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hgu h PRO 168 CO 0.74 0.17 -0.61 0.00 -0.23 0.00 0.00 178.00 178.06 3hgu h ARG 169 N 0.00 0.69 -0.73 0.86 3.08 -1.99 -1.90 114.38 114.40 3hgu h ARG 169 Ca -0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3hgu h ARG 169 Cb 0.35 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3hgu h ARG 169 CO 0.02 1.09 0.45 2.35 -1.07 0.00 0.00 179.97 182.82 3hgu h TRP 170 N 0.51 0.94 0.47 3.04 2.91 -1.92 0.26 115.95 122.16 3hgu h TRP 170 Ca -0.01 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3hgu h TRP 170 Cb 1.20 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 3hgu h TRP 170 CO 0.06 0.62 -0.23 0.28 -1.03 0.00 0.00 178.44 178.14 3hgu h VAL 171 N 0.99 0.54 -0.29 2.65 2.07 -1.32 0.44 116.25 121.33 3hgu h VAL 171 Ca 0.26 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.80 3hgu h VAL 171 Cb -0.07 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3hgu h VAL 171 CO -0.05 0.01 -0.07 0.11 0.02 0.00 0.00 177.57 177.59 3hgu h LYS 172 N -0.66 0.00 -0.81 1.57 1.57 -1.21 -1.04 116.57 115.99 3hgu h LYS 172 Ca -0.06 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3hgu h LYS 172 Cb 0.50 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 3hgu h LYS 172 CO 0.11 0.00 0.53 -0.09 -0.57 0.00 0.00 179.45 179.43 3hgu h ARG 173 N 0.00 0.69 -0.05 3.15 2.43 -0.33 -1.79 114.38 118.49 3hgu h ARG 173 Ca 0.14 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3hgu h ARG 173 Cb 0.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3hgu h ARG 173 CO -0.30 0.46 -0.18 0.77 -1.51 0.00 0.00 179.97 179.22 3hgu h SER 174 N 0.72 0.24 0.65 -3.80 0.02 0.30 -2.71 113.55 108.96 3hgu h SER 174 Ca 0.38 -0.64 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3hgu h SER 174 Cb 0.51 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3hgu h SER 174 CO -0.15 0.83 -0.45 0.17 -1.14 0.00 0.00 176.83 176.10 3hgu h LEU 175 N -0.35 0.00 -1.93 5.07 8.10 -1.22 -2.10 115.31 122.89 3hgu h LEU 175 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 3hgu h LEU 175 Cb 0.82 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.03 3hgu h LEU 175 CO 0.04 0.45 -0.12 -1.28 -4.11 0.00 0.00 178.44 173.42 3hgu h SER 176 N 0.00 0.00 -0.33 0.17 0.87 -1.34 -1.72 113.55 111.20 3hgu h SER 176 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hgu h SER 176 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3hgu h SER 176 CO 0.06 0.12 0.00 -0.62 -0.53 0.00 0.00 176.83 175.85 3hgu n GLU 177 N -3.69 1.89 -1.41 2.24 1.02 -0.98 -4.91 120.64 114.80 3hgu n GLU 177 Ca -0.02 -1.37 -0.14 0.00 -0.02 0.00 0.00 57.16 55.61 3hgu n GLU 177 Cb 0.23 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.40 3.45 0.62 0.00 -0.65 -4.92 105.19 106.24 3hgu n GLY 178 Ca 0.14 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3hgu n GLY 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hgu s ASP 179 N -2.62 7.08 0.11 1.61 2.15 -0.83 -4.82 116.67 119.35 3hgu s ASP 179 Ca 0.00 -3.01 0.25 0.00 0.43 0.00 0.00 52.55 50.22 3hgu s ASP 179 Cb 0.00 -2.38 0.58 0.00 -0.30 0.00 0.00 42.92 40.82 3hgu s ASP 179 CO 0.00 -0.72 1.51 0.35 -0.17 0.00 0.00 175.17 176.14 3hgu n THR 180 N 4.47 0.31 -0.16 1.71 -2.24 -1.26 -2.71 114.28 114.40 3hgu n THR 180 Ca 0.35 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 3hgu n THR 180 Cb 0.43 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3hgu n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgu h ALA 181 N 2.65 0.63 -0.45 6.98 0.00 -1.97 -2.26 119.26 124.84 3hgu h ALA 181 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3hgu h ALA 181 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hgu h ALA 181 CO 0.00 0.39 -0.26 1.15 0.00 0.00 0.00 179.25 180.53 3hgu h THR 182 N 0.66 1.27 -0.55 0.00 2.02 -1.95 -1.57 112.91 112.79 3hgu h THR 182 Ca 0.14 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3hgu h THR 182 Cb 0.44 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3hgu h THR 182 CO 0.02 0.48 0.36 0.58 0.37 0.00 0.00 175.52 177.33 3hgu h VAL 183 N 0.81 1.15 0.28 3.16 2.07 -1.47 0.26 116.25 122.51 3hgu h VAL 183 Ca 0.10 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3hgu h VAL 183 Cb 0.83 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hgu h VAL 183 CO 0.07 0.15 -0.13 -0.09 0.02 0.00 0.00 177.57 177.59 3hgu h ARG 184 N 0.75 -0.36 -0.68 1.57 2.43 -1.34 -0.08 114.38 116.67 3hgu h ARG 184 Ca 0.20 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3hgu h ARG 184 Cb -0.06 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3hgu h ARG 184 CO -0.04 -0.15 0.37 -0.22 -1.51 0.00 0.00 179.97 178.41 3hgu h LYS 185 N -0.50 0.65 -0.33 0.20 3.64 -1.10 -2.17 116.57 116.96 3hgu h LYS 185 Ca -0.04 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 3hgu h LYS 185 Cb 0.37 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hgu h LYS 185 CO 0.06 0.43 -0.27 -0.92 -2.27 0.00 0.00 179.45 176.48 3hgu h TYR 186 N 0.67 0.90 -0.80 1.91 3.20 -0.37 -1.98 116.97 120.50 3hgu h TYR 186 Ca 0.31 -0.26 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3hgu h TYR 186 Cb 0.22 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 3hgu h TYR 186 CO -0.08 1.01 0.46 1.15 -1.64 0.00 0.00 178.16 179.06 3hgu h THR 187 N 0.53 0.93 0.00 1.81 2.02 -0.79 -1.95 112.91 115.46 3hgu h THR 187 Ca 0.06 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3hgu h THR 187 Cb 0.84 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3hgu h THR 187 CO 0.07 0.14 -0.60 0.45 0.37 0.00 0.00 175.52 175.96 3hgu h HIS 188 N 0.79 0.00 -0.93 3.16 3.86 -1.24 -1.33 115.15 119.45 3hgu h HIS 188 Ca 0.38 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.64 3hgu h HIS 188 Cb 0.31 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 3hgu h HIS 188 CO -0.06 0.60 0.60 1.25 0.86 0.00 0.00 177.93 181.17 3hgu h HIS 189 N 0.00 1.11 -0.34 2.45 6.17 -0.76 0.10 115.15 123.89 3hgu h HIS 189 Ca -0.01 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.06 3hgu h HIS 189 Cb 1.15 -0.37 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 3hgu h HIS 189 CO 0.00 0.60 0.04 -0.07 0.71 0.00 0.00 177.93 179.21 3hgu h LEU 190 N 1.12 0.56 -0.60 0.26 3.38 -0.88 -2.51 115.31 116.64 3hgu h LEU 190 Ca 0.39 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hgu h LEU 190 Cb 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hgu h LEU 190 CO -0.15 0.70 0.36 0.58 0.09 0.00 0.00 178.44 180.01 3hgu h VAL 191 N 0.40 1.18 -0.46 1.22 2.07 -0.87 -1.05 116.25 118.74 3hgu h VAL 191 Ca 0.10 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3hgu h VAL 191 Cb 0.39 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3hgu h VAL 191 CO 0.01 0.19 0.23 0.44 0.02 0.00 0.00 177.57 178.45 3hgu h ASP 192 N 0.82 0.32 -0.37 0.57 3.32 -0.75 0.19 116.42 120.53 3hgu h ASP 192 Ca 0.22 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3hgu h ASP 192 Cb -0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hgu h ASP 192 CO -0.04 0.23 0.06 1.56 -1.72 0.00 0.00 179.24 179.33 3hgu h GLN 193 N 0.45 0.61 -0.33 3.56 4.20 -1.05 -1.72 115.11 120.82 3hgu h GLN 193 Ca 0.20 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3hgu h GLN 193 Cb 0.11 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3hgu h GLN 193 CO -0.14 0.67 0.18 0.28 -0.67 0.00 0.00 178.83 179.15 3hgu h VAL 194 N 0.45 1.01 -0.63 -0.54 2.07 -0.77 -2.55 116.25 115.30 3hgu h VAL 194 Ca 0.11 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3hgu h VAL 194 Cb 0.35 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3hgu h VAL 194 CO 0.01 0.07 0.30 -0.61 0.02 0.00 0.00 177.57 177.36 3hgu h GLN 195 N 0.37 0.53 -0.30 1.57 4.15 -0.51 -1.07 115.11 119.86 3hgu h GLN 195 Ca 0.13 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.55 3hgu h GLN 195 Cb 0.02 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3hgu h GLN 195 CO -0.08 0.35 0.13 -0.91 -1.93 0.00 0.00 178.83 176.39 3hgu h ASN 196 N 0.55 0.18 -0.28 -0.69 2.35 -0.90 -0.52 115.58 116.27 3hgu h ASN 196 Ca 0.30 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 3hgu h ASN 196 Cb 0.28 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3hgu h ASN 196 CO -0.24 0.14 -0.07 0.74 -1.65 0.00 0.00 177.43 176.35 3hgu h THR 197 N 0.28 1.28 -0.88 2.81 2.02 -1.28 -1.31 112.91 115.84 3hgu h THR 197 Ca 0.13 -1.09 0.10 0.00 0.77 0.00 0.00 66.41 66.32 3hgu h THR 197 Cb 0.06 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 3hgu h THR 197 CO -0.10 0.34 0.52 -0.07 0.37 0.00 0.00 175.52 176.58 3hgu h LEU 198 N 0.29 0.76 -0.07 2.58 3.38 -0.96 -0.66 115.31 120.64 3hgu h LEU 198 Ca 0.07 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 3hgu h LEU 198 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hgu h LEU 198 CO 0.03 0.44 -1.03 0.24 0.09 0.00 0.00 178.44 178.20 3hgu h MET 199 N 0.87 0.16 0.00 1.13 2.86 -0.97 -3.37 114.93 115.60 3hgu h MET 199 Ca 0.42 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3hgu h MET 199 Cb 0.37 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3hgu h MET 199 CO -0.24 1.05 -1.56 0.09 1.06 0.00 0.00 176.91 177.31 3hgu n ASN 200 N -3.52 0.46 -4.26 1.22 3.02 -0.50 -4.95 115.26 106.72 3hgu n ASN 200 Ca -0.04 0.18 -0.17 0.00 -0.03 0.00 0.00 54.58 54.53 3hgu n ASN 200 Cb 0.92 1.04 -0.10 0.00 -0.61 0.00 0.00 39.78 41.02 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 -3.29 1.10 -0.68 3.52 -1.52 -0.27 -5.07 119.66 113.45 3hgu s GLN 201 Ca -0.05 -1.39 -0.24 0.00 -1.95 0.00 0.00 55.36 51.74 3hgu s GLN 201 Cb 0.11 -0.84 0.06 0.00 -0.22 0.00 0.00 33.01 32.12 3hgu s GLN 201 CO 0.84 0.14 1.03 0.34 -0.25 0.00 0.00 175.29 177.39 3hgu s ASP 202 N -2.90 6.17 -0.24 5.90 2.15 -1.26 -4.56 116.67 121.93 3hgu s ASP 202 Ca 0.14 -0.87 -0.11 0.00 0.43 0.00 0.00 52.55 52.15 3hgu s ASP 202 Cb -0.01 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 3hgu s ASP 202 CO 0.03 -1.53 0.19 -0.63 -0.17 0.00 0.00 175.17 173.06 3hgu s ILE 203 N 4.43 5.34 -0.16 4.11 -1.09 -1.26 -4.14 121.20 128.43 3hgu s ILE 203 Ca 0.25 0.23 0.15 0.00 -2.23 0.00 0.00 60.65 59.05 3hgu s ILE 203 Cb -0.15 -3.53 -0.24 0.00 -1.58 0.00 0.00 42.46 36.96 3hgu s ILE 203 CO 0.11 0.32 0.23 -1.14 -1.23 0.00 0.00 174.94 173.23 3hgu n ARG 204 N 4.44 0.67 -4.59 2.79 3.00 -0.02 -4.01 116.66 118.94 3hgu n ARG 204 Ca -0.14 0.09 -0.23 0.00 -0.00 0.00 0.00 57.85 57.56 3hgu n ARG 204 Cb 0.52 -1.60 -0.16 0.00 0.00 0.00 0.00 32.46 31.22 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 -2.52 1.35 -0.04 -0.14 0.08 -0.82 -0.18 117.98 115.70 3hgu s PHE 205 Ca -0.10 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.61 3hgu s PHE 205 Cb 0.07 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 3hgu s PHE 205 CO 0.82 -0.17 -0.21 -1.17 -0.10 0.00 0.00 175.22 174.39 3hgu s LEU 206 N 0.27 2.01 -0.17 -0.37 2.96 -0.25 -0.91 118.68 122.22 3hgu s LEU 206 Ca -0.06 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3hgu s LEU 206 Cb -0.12 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.47 3hgu s LEU 206 CO 0.02 0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.39 3hgu s VAL 207 N -0.24 1.98 0.00 1.68 1.01 -0.37 -0.94 120.40 123.52 3hgu s VAL 207 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3hgu s VAL 207 Cb -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3hgu s VAL 207 CO 0.01 0.53 0.00 1.07 0.00 0.00 0.00 175.10 176.71 3hgu n THR 208 N 4.56 0.00 -4.26 3.92 5.66 -0.34 -0.22 114.28 123.60 3hgu n THR 208 Ca -0.20 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.61 3hgu n THR 208 Cb 0.50 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 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 -2.46 1.45 0.25 1.09 -4.23 -1.26 -1.24 115.64 109.24 3hgu s THR 209 Ca 0.00 -1.74 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 3hgu s THR 209 Cb 0.00 -1.59 0.25 0.00 1.34 0.00 0.00 72.50 72.50 3hgu s THR 209 CO 0.00 -0.37 1.66 -0.65 -0.54 0.00 0.00 174.62 174.73 3hgu h PRO 210 N 3.52 0.19 -0.23 3.99 0.11 -1.90 -1.01 132.00 136.67 3hgu h PRO 210 Ca -0.41 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3hgu h PRO 210 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hgu h PRO 210 CO 0.50 0.13 -0.05 -1.35 -0.21 0.00 0.00 178.00 177.02 3hgu h PRO 211 N 0.20 0.36 -0.02 1.05 0.11 -1.97 0.63 132.00 132.36 3hgu h PRO 211 Ca 0.42 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 3hgu h PRO 211 Cb 0.73 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3hgu h PRO 211 CO -0.57 0.42 -0.12 0.28 -0.21 0.00 0.00 178.00 177.80 3hgu h VAL 212 N 0.34 1.53 -0.81 3.15 2.07 -1.81 -3.17 116.25 117.55 3hgu h VAL 212 Ca 0.08 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 65.91 3hgu h VAL 212 Cb 0.31 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 3hgu h VAL 212 CO 0.01 0.46 0.52 0.25 0.02 0.00 0.00 177.57 178.84 3hgu h LEU 213 N -0.54 0.87 -0.70 2.57 5.85 -0.96 -1.08 115.31 121.31 3hgu h LEU 213 Ca -0.01 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.84 3hgu h LEU 213 Cb 0.82 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 3hgu h LEU 213 CO 0.02 0.60 0.24 -0.09 -0.34 0.00 0.00 178.44 178.87 3hgu h ARG 214 N 1.02 0.36 0.04 1.25 2.43 -0.93 -1.80 114.38 116.75 3hgu h ARG 214 Ca 0.33 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 59.22 3hgu h ARG 214 Cb 0.01 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3hgu h ARG 214 CO -0.11 0.24 -1.05 0.93 -1.51 0.00 0.00 179.97 178.47 3hgu h GLU 215 N 0.37 0.46 -0.77 0.20 4.39 -1.35 -3.20 114.58 114.67 3hgu h GLU 215 Ca 0.38 -0.54 0.11 0.00 0.34 0.00 0.00 59.36 59.65 3hgu h GLU 215 Cb 0.58 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.32 3hgu h GLU 215 CO -0.41 1.19 0.40 -0.07 -1.16 0.00 0.00 179.01 178.96 3hgu h LEU 216 N 0.23 0.51 -0.06 1.33 4.07 -0.77 -1.57 115.31 119.06 3hgu h LEU 216 Ca -0.11 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3hgu h LEU 216 Cb 1.71 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.43 3hgu h LEU 216 CO 0.19 0.27 0.00 0.18 -1.08 0.00 0.00 178.44 178.00 3hgu n LEU 217 N -4.85 0.04 -0.76 1.67 4.77 -0.72 -2.10 117.00 115.05 3hgu n LEU 217 Ca 0.13 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.71 3hgu n LEU 217 Cb 0.32 -0.51 0.26 0.00 -2.33 0.00 0.00 43.42 41.16 3hgu n LEU 217 CO 0.24 -0.34 0.71 0.29 -1.33 0.00 0.00 177.39 176.95 3hgu n LYS 218 N -1.55 1.98 -3.91 3.23 5.02 -0.59 -4.71 118.16 117.62 3hgu n LYS 218 Ca 0.02 -1.50 -0.34 0.00 -2.02 0.00 0.00 58.31 54.48 3hgu n LYS 218 Cb 0.12 -1.38 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.55 2.03 0.30 1.97 0.52 -0.89 -5.01 118.95 116.31 3hgu s ARG 219 Ca 0.31 -1.61 0.05 0.00 -0.52 0.00 0.00 55.73 53.96 3hgu s ARG 219 Cb 0.17 -3.28 0.76 0.00 0.52 0.00 0.00 34.95 33.12 3hgu s ARG 219 CO 0.24 -0.84 1.71 -1.35 0.02 0.00 0.00 175.30 175.07 3hgu h PRO 220 N 7.89 0.45 -0.43 3.54 0.11 -1.86 -0.45 132.00 141.24 3hgu h PRO 220 Ca -0.14 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 3hgu h PRO 220 Cb 1.04 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3hgu h PRO 220 CO 0.57 0.30 -0.07 1.05 -0.21 0.00 0.00 178.00 179.64 3hgu h GLU 221 N 0.46 0.73 -0.13 1.05 4.11 -1.95 -2.11 114.58 116.75 3hgu h GLU 221 Ca 0.58 -0.22 -0.14 0.00 0.07 0.00 0.00 59.36 59.65 3hgu h GLU 221 Cb 1.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3hgu h GLU 221 CO -0.50 0.79 -0.45 0.28 0.07 0.00 0.00 179.01 179.19 3hgu h VAL 222 N 0.68 1.35 -0.41 -1.06 2.07 -1.42 -1.54 116.25 115.92 3hgu h VAL 222 Ca 0.12 -1.75 0.09 0.00 0.82 0.00 0.00 66.70 65.98 3hgu h VAL 222 Cb 0.51 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.28 3hgu h VAL 222 CO 0.03 0.53 -0.16 0.58 0.02 0.00 0.00 177.57 178.57 3hgu h VAL 223 N 0.17 0.48 -0.66 2.57 2.07 -1.21 0.16 116.25 119.83 3hgu h VAL 223 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hgu h VAL 223 Cb 1.08 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3hgu h VAL 223 CO 0.10 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 178.04 3hgu h LEU 224 N -0.07 0.77 -0.04 2.57 3.38 -1.26 -0.22 115.31 120.42 3hgu h LEU 224 Ca 0.20 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hgu h LEU 224 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hgu h LEU 224 CO -0.47 0.57 -0.00 -0.61 0.09 0.00 0.00 178.44 178.02 3hgu h GLN 225 N 0.89 0.01 -0.26 1.13 5.75 -0.91 -1.40 115.11 120.32 3hgu h GLN 225 Ca 0.24 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 3hgu h GLN 225 Cb -0.08 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 3hgu h GLN 225 CO -0.05 0.01 0.15 0.52 -2.65 0.00 0.00 178.83 176.81 3hgu h MET 226 N 0.01 0.30 -0.97 1.69 2.86 -0.39 -0.49 114.93 117.94 3hgu h MET 226 Ca 0.02 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 3hgu h MET 226 Cb 0.02 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 31.53 3hgu h MET 226 CO -0.03 0.20 0.61 0.87 1.06 0.00 0.00 176.91 179.62 3hgu h LYS 227 N 0.31 0.67 0.03 1.72 1.57 -0.96 -0.87 116.57 119.04 3hgu h LYS 227 Ca 0.10 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 3hgu h LYS 227 Cb -0.00 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hgu h LYS 227 CO -0.05 0.44 -1.03 0.37 -0.57 0.00 0.00 179.45 178.61 3hgu h GLN 228 N 0.69 0.48 0.00 3.15 5.75 -0.63 -3.42 115.11 121.13 3hgu h GLN 228 Ca 0.53 -0.56 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 3hgu h GLN 228 Cb 0.91 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 3hgu h GLN 228 CO -0.29 1.20 -1.49 -1.13 -2.65 0.00 0.00 178.83 174.46 3hgu n SER 229 N -3.75 3.24 -4.66 -0.69 3.41 -0.25 -5.00 113.62 105.92 3hgu n SER 229 Ca -0.09 -0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 3hgu n SER 229 Cb 0.88 0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 65.41 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 -4.60 4.12 0.03 1.04 1.43 -0.36 -4.29 118.68 116.06 3hgu s LEU 230 Ca -0.04 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.23 3hgu s LEU 230 Cb 0.02 -3.24 -0.24 0.00 0.03 0.00 0.00 46.19 42.76 3hgu s LEU 230 CO 0.29 -0.48 0.96 0.00 0.23 0.00 0.00 176.35 177.35 3hgu h ALA 231 N 7.50 0.42 -2.92 4.21 0.00 -0.86 -3.39 119.26 124.21 3hgu h ALA 231 Ca -0.25 -1.13 -0.14 0.00 0.00 0.00 0.00 54.91 53.38 3hgu h ALA 231 Cb 1.11 0.18 -0.25 0.00 0.00 0.00 0.00 17.79 18.83 3hgu h ALA 231 CO 0.87 1.29 -0.33 -0.65 0.00 0.00 0.00 179.25 180.42 3hgu s GLN 232 N -2.64 0.38 -0.09 0.00 -0.21 -1.10 -1.07 119.66 114.92 3hgu s GLN 232 Ca -0.04 0.48 0.04 0.00 0.02 0.00 0.00 55.36 55.85 3hgu s GLN 232 Cb 0.08 0.17 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 3hgu s GLN 232 CO 0.83 -0.05 -0.22 0.42 -2.12 0.00 0.00 175.29 174.15 3hgu s ILE 233 N 0.25 2.22 -0.15 1.08 1.01 0.06 -1.09 121.20 124.59 3hgu s ILE 233 Ca -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 3hgu s ILE 233 Cb -0.03 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 3hgu s ILE 233 CO -0.00 0.56 -0.10 -0.89 0.00 0.00 0.00 174.94 174.51 3hgu s THR 234 N 0.18 3.26 -0.15 2.92 2.01 -0.11 -1.71 115.64 122.04 3hgu s THR 234 Ca -0.13 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3hgu s THR 234 Cb -0.16 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 3hgu s THR 234 CO 0.07 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.71 3hgu s LEU 235 N 0.59 3.32 0.48 4.42 1.43 0.09 -1.20 118.68 127.82 3hgu s LEU 235 Ca -0.06 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3hgu s LEU 235 Cb -0.15 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3hgu s LEU 235 CO 0.03 0.20 0.27 -0.83 0.23 0.00 0.00 176.35 176.25 3hgu s GLY 236 N 0.19 2.43 0.00 -3.19 0.00 -0.37 -0.61 107.32 105.76 3hgu s GLY 236 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3hgu s GLY 236 CO 0.03 -1.94 0.00 0.61 0.00 0.00 0.00 173.10 171.79 3hgu n GLY 237 N -1.49 -0.26 1.05 0.20 0.00 -1.24 -4.59 105.19 98.85 3hgu n GLY 237 Ca -0.03 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.26 2.44 -2.73 2.61 -2.24 -1.26 -4.65 114.28 108.18 3hgu n THR 238 Ca 0.00 -2.27 -0.20 0.00 -2.27 0.00 0.00 64.05 59.32 3hgu n THR 238 Cb 0.00 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.83 2.26 -3.08 -0.78 1.02 -1.26 -4.16 120.64 113.83 3hgu n GLU 239 Ca 0.28 -3.99 -0.38 0.00 -0.02 0.00 0.00 57.16 53.06 3hgu n GLU 239 Cb 0.98 -1.84 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 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 -3.21 4.47 -0.30 -4.62 1.02 -1.26 -4.88 118.68 109.90 3hgu s LEU 240 Ca 0.40 1.49 0.00 0.00 0.02 0.00 0.00 54.13 56.04 3hgu s LEU 240 Cb 0.39 -3.38 0.06 0.00 0.02 0.00 0.00 46.19 43.29 3hgu s LEU 240 CO -0.09 0.14 -0.02 0.21 0.02 0.00 0.00 176.35 176.60 3hgu s ASN 241 N -1.38 4.74 0.22 2.29 3.84 -1.26 -5.00 114.94 118.40 3hgu s ASN 241 Ca 0.38 -1.44 -0.05 0.00 0.21 0.00 0.00 52.86 51.96 3hgu s ASN 241 Cb -0.20 -1.65 0.21 0.00 -0.55 0.00 0.00 41.25 39.06 3hgu s ASN 241 CO 0.23 -0.26 1.71 0.25 -2.79 0.00 0.00 177.10 176.23 3hgu h LEU 242 N 7.89 0.90 -0.27 3.21 5.85 -1.99 -1.83 115.31 129.06 3hgu h LEU 242 Ca -0.18 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.33 3hgu h LEU 242 Cb 1.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3hgu h LEU 242 CO 0.52 0.95 0.11 0.44 -0.34 0.00 0.00 178.44 180.12 3hgu h ASP 243 N 0.85 0.15 -0.14 1.25 3.32 -1.96 0.06 116.42 119.95 3hgu h ASP 243 Ca 0.16 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.26 3hgu h ASP 243 Cb 0.50 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3hgu h ASP 243 CO 0.02 0.12 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.55 3hgu h GLU 244 N 0.25 0.00 -0.78 3.56 4.81 -1.89 0.13 114.58 120.66 3hgu h GLU 244 Ca 0.12 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hgu h GLU 244 Cb 0.06 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3hgu h GLU 244 CO -0.10 0.00 0.50 0.82 -0.73 0.00 0.00 179.01 179.50 3hgu h ILE 245 N 0.00 1.21 -0.58 2.32 2.04 -1.08 -1.04 117.51 120.39 3hgu h ILE 245 Ca 0.07 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3hgu h ILE 245 Cb 0.10 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3hgu h ILE 245 CO -0.14 0.21 0.06 0.11 0.00 0.00 0.00 178.15 178.39 3hgu h LYS 246 N 1.06 0.95 -0.24 2.37 1.57 -0.57 -1.08 116.57 120.63 3hgu h LYS 246 Ca 0.28 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hgu h LYS 246 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hgu h LYS 246 CO -0.06 0.90 0.14 0.35 -0.57 0.00 0.00 179.45 180.22 3hgu h PHE 247 N 0.89 0.31 -0.48 -1.35 3.04 -0.28 -2.15 116.94 116.92 3hgu h PHE 247 Ca 0.18 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.14 3hgu h PHE 247 Cb 0.43 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 3hgu h PHE 247 CO 0.03 0.24 0.31 0.82 -2.02 0.00 0.00 178.31 177.69 3hgu h ILE 248 N 0.30 1.09 -0.39 1.41 2.04 -0.84 0.55 117.51 121.67 3hgu h ILE 248 Ca 0.09 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3hgu h ILE 248 Cb 0.02 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3hgu h ILE 248 CO -0.02 0.11 0.13 0.00 0.00 0.00 0.00 178.15 178.37 3hgu h ALA 249 N 1.19 1.50 0.08 1.87 0.00 -1.09 0.35 119.26 123.16 3hgu h ALA 249 Ca 0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 3hgu h ALA 249 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hgu h ALA 249 CO -0.06 0.38 -2.10 -1.13 0.00 0.00 0.00 179.25 176.33 3hgu n SER 250 N -4.36 1.91 -0.05 0.00 3.41 -0.82 -3.51 113.62 110.21 3hgu n SER 250 Ca 0.02 0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 3hgu n SER 250 Cb 0.16 -0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 3hgu n SER 250 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hgu n GLU 251 N -3.37 0.67 -0.06 4.33 -0.58 0.16 -4.50 120.64 117.29 3hgu n GLU 251 Ca -0.34 0.19 -0.13 0.00 -0.42 0.00 0.00 57.16 56.46 3hgu n GLU 251 Cb 1.04 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 30.19 3hgu n GLU 251 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3hgu n ILE 252 N -3.06 0.66 -3.30 -3.67 5.41 -0.86 -4.78 119.36 109.75 3hgu n ILE 252 Ca -0.27 -0.17 -0.28 0.00 1.00 0.00 0.00 62.75 63.03 3hgu n ILE 252 Cb 1.07 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 38.30 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 -3.52 4.13 0.23 1.39 4.77 0.06 -4.86 117.00 119.20 3hgu n LEU 253 Ca -0.23 -5.48 0.16 0.00 -0.03 0.00 0.00 56.01 50.43 3hgu n LEU 253 Cb 0.67 -0.70 0.73 0.00 -2.33 0.00 0.00 43.42 41.79 3hgu n LEU 253 CO 0.02 2.09 0.97 1.55 -1.33 0.00 0.00 177.39 180.68 3hgu h PRO 254 N 4.05 0.00 -0.40 3.23 0.13 -1.78 -2.48 132.00 134.75 3hgu h PRO 254 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3hgu h PRO 254 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 3hgu h PRO 254 CO 0.87 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 3hgu n ASP 255 N -2.69 3.74 -4.46 1.44 8.00 -1.26 -4.95 116.55 116.38 3hgu n ASP 255 Ca -0.00 -2.45 -0.33 0.00 0.71 0.00 0.00 54.79 52.71 3hgu n ASP 255 Cb 0.18 -0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.12 4.45 -0.06 0.00 2.02 -0.23 -4.91 118.70 119.85 3hgu s GLU 257 Ca -0.00 1.01 0.05 0.00 0.02 0.00 0.00 54.97 56.05 3hgu s GLU 257 Cb -0.13 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3hgu s GLU 257 CO 0.03 0.55 -0.20 -0.06 0.02 0.00 0.00 175.26 175.60 3hgu s PHE 258 N -0.96 2.54 0.23 1.61 0.40 -1.26 -0.76 117.98 119.79 3hgu s PHE 258 Ca 0.34 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 56.12 3hgu s PHE 258 Cb -0.22 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 3hgu s PHE 258 CO 0.23 -0.05 0.36 -1.54 0.70 0.00 0.00 175.22 174.92 3hgu s SER 259 N -0.38 0.03 0.19 1.36 1.04 -0.70 -0.96 113.70 114.29 3hgu s SER 259 Ca 0.03 -1.11 0.11 0.00 0.48 0.00 0.00 55.95 55.47 3hgu s SER 259 Cb -0.12 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3hgu s SER 259 CO 0.02 -1.04 -0.23 0.00 0.98 0.00 0.00 173.24 172.96 3hgu s ALA 260 N -4.04 2.50 -0.06 5.32 0.00 -1.26 -0.73 121.76 123.49 3hgu s ALA 260 Ca 0.29 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.63 3hgu s ALA 260 Cb 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3hgu s ALA 260 CO 0.10 0.41 -0.13 0.45 0.00 0.00 0.00 175.76 176.60 3hgu s SER 261 N -2.70 1.76 -0.25 0.00 0.15 0.21 -1.68 113.70 111.19 3hgu s SER 261 Ca 0.21 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 3hgu s SER 261 Cb -0.08 -0.74 0.03 0.00 -1.71 0.00 0.00 66.02 63.53 3hgu s SER 261 CO 0.10 0.05 -0.07 -0.47 1.20 0.00 0.00 173.24 174.05 3hgu s TYR 262 N 0.53 3.11 -0.02 3.44 5.04 0.07 -3.70 117.35 125.82 3hgu s TYR 262 Ca -0.12 -1.73 -0.29 0.00 -2.44 0.00 0.00 57.07 52.49 3hgu s TYR 262 Cb -0.14 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 3hgu s TYR 262 CO 0.03 -0.77 0.93 0.20 -1.34 0.00 0.00 175.55 174.60 3hgu s GLY 263 N 1.28 2.82 -0.63 8.97 0.00 -1.26 -0.62 107.32 117.87 3hgu s GLY 263 Ca -0.02 0.45 0.06 0.00 0.00 0.00 0.00 44.72 45.21 3hgu s GLY 263 CO -0.05 1.61 0.76 1.44 0.00 0.00 0.00 173.10 176.86 3hgu n SER 264 N 3.95 3.72 -0.32 1.64 7.64 0.13 -4.95 113.62 125.42 3hgu n SER 264 Ca 0.05 -3.45 0.18 0.00 1.01 0.00 0.00 58.87 56.66 3hgu n SER 264 Cb 0.51 -0.66 0.37 0.00 -1.01 0.00 0.00 64.21 63.42 3hgu n SER 264 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hgu h THR 265 N 3.11 0.21 0.00 0.44 2.02 -1.94 0.20 112.91 116.95 3hgu h THR 265 Ca 0.19 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3hgu h THR 265 Cb 0.65 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3hgu h THR 265 CO 0.82 0.03 -0.01 0.28 0.37 0.00 0.00 175.52 177.02 3hgu h SER 266 N 0.17 0.00 -0.35 4.18 0.02 -1.92 -1.32 113.55 114.33 3hgu h SER 266 Ca 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3hgu h SER 266 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3hgu h SER 266 CO -0.71 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 174.99 3hgu n ALA 267 N -2.43 2.31 -2.77 3.77 0.00 0.56 -4.78 120.51 117.17 3hgu n ALA 267 Ca -0.03 -1.32 -0.22 0.00 0.00 0.00 0.00 53.44 51.88 3hgu n ALA 267 Cb 0.09 -0.49 0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 0.40 -2.33 0.00 0.00 4.77 -0.30 -4.83 117.00 114.72 3hgu n LEU 268 Ca 0.13 -0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 3hgu n LEU 268 Cb 0.50 -2.93 -0.01 0.00 -2.33 0.00 0.00 43.42 38.66 3hgu n LEU 268 CO 0.09 0.04 0.30 0.61 -1.33 0.00 0.00 177.39 177.10 3hgu n GLY 269 N -1.30 1.70 3.19 -0.72 0.00 -0.72 -4.96 105.19 102.38 3hgu n GLY 269 Ca -0.17 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 3hgu n GLY 269 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hgu s VAL 270 N -2.53 1.13 0.03 1.61 -7.23 -1.26 0.17 120.40 112.30 3hgu s VAL 270 Ca 0.22 -1.46 0.06 0.00 -1.81 0.00 0.00 61.98 58.98 3hgu s VAL 270 Cb -0.02 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 3hgu s VAL 270 CO 0.16 -0.33 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.04 3hgu s SER 271 N -2.04 4.13 -0.00 4.85 0.01 0.21 -4.74 113.70 116.12 3hgu s SER 271 Ca 0.02 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.97 3hgu s SER 271 Cb -0.07 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3hgu s SER 271 CO 0.02 0.26 0.04 0.00 0.41 0.00 0.00 173.24 173.97 3hgu s ARG 272 N -1.44 2.91 0.55 12.44 1.70 -1.12 -0.75 118.95 133.24 3hgu s ARG 272 Ca 0.16 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 54.82 3hgu s ARG 272 Cb -0.11 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.52 3hgu s ARG 272 CO 0.06 0.64 0.84 -1.54 -1.08 0.00 0.00 175.30 174.22 3hgu s SER 273 N -1.63 5.72 0.74 -2.89 1.04 -0.68 -1.40 113.70 114.59 3hgu s SER 273 Ca 0.21 0.64 -0.14 0.00 0.48 0.00 0.00 55.95 57.14 3hgu s SER 273 Cb -0.12 -1.72 0.04 0.00 0.10 0.00 0.00 66.02 64.32 3hgu s SER 273 CO 0.12 -0.93 1.14 -0.76 0.98 0.00 0.00 173.24 173.79 3hgu s LEU 274 N -4.87 3.23 0.14 2.42 1.43 -0.05 -4.70 118.68 116.28 3hgu s LEU 274 Ca 0.52 2.11 -0.35 0.00 -1.03 0.00 0.00 54.13 55.39 3hgu s LEU 274 Cb -0.10 -4.56 -0.16 0.00 0.03 0.00 0.00 46.19 41.40 3hgu s LEU 274 CO 0.43 -2.11 1.31 -0.11 0.23 0.00 0.00 176.35 176.10 3hgu n LEU 275 N -2.96 1.87 -4.61 1.79 7.94 -1.26 -4.61 117.00 115.16 3hgu n LEU 275 Ca 0.11 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.73 3hgu n LEU 275 Cb 0.52 -1.24 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 3hgu n LEU 275 CO 0.49 -1.01 0.38 -0.63 -1.11 0.00 0.00 177.39 175.51 3hgu s ILE 276 N 0.25 4.97 0.44 1.96 1.01 -0.13 -4.98 121.20 124.72 3hgu s ILE 276 Ca 0.79 1.01 0.04 0.00 0.00 0.00 0.00 60.65 62.48 3hgu s ILE 276 Cb -0.86 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 3hgu s ILE 276 CO 0.48 -0.03 0.04 0.42 0.00 0.00 0.00 174.94 175.84 3hgu s THR 277 N 2.53 1.30 -0.15 2.92 -4.23 -1.26 -4.51 115.64 112.25 3hgu s THR 277 Ca 0.25 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.01 3hgu s THR 277 Cb -0.15 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.42 3hgu s THR 277 CO 0.10 0.00 1.76 0.77 -0.54 0.00 0.00 174.62 176.71 3hgu h SER 278 N 1.66 0.00 -0.36 3.99 4.64 -1.97 -1.52 113.55 120.00 3hgu h SER 278 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3hgu h SER 278 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3hgu h SER 278 CO 0.72 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.06 3hgu n GLU 279 N -2.37 2.37 -2.28 4.77 1.02 -1.26 -4.96 120.64 117.93 3hgu n GLU 279 Ca -0.01 -2.18 -0.41 0.00 -0.02 0.00 0.00 57.16 54.54 3hgu n GLU 279 Cb 0.09 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3hgu n GLU 279 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3hgu s SER 280 N -1.35 6.96 -0.00 1.62 0.01 -0.57 -4.89 113.70 115.47 3hgu s SER 280 Ca 0.35 2.30 0.04 0.00 1.31 0.00 0.00 55.95 59.95 3hgu s SER 280 Cb 0.20 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 3hgu s SER 280 CO 0.28 -0.49 0.10 0.00 0.41 0.00 0.00 173.24 173.54 3hgu n GLN 281 N 2.91 2.21 -4.08 12.44 1.13 -1.26 -4.95 117.38 125.78 3hgu n GLN 281 Ca 0.07 -0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.01 3hgu n GLN 281 Cb 0.44 -0.93 -0.10 0.00 0.11 0.00 0.00 30.24 29.75 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 -1.91 0.58 -0.32 -1.09 -0.21 -1.26 -5.11 119.66 110.34 3hgu s GLN 282 Ca -0.00 -1.04 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 3hgu s GLN 282 Cb 0.02 0.02 -0.03 0.00 1.00 0.00 0.00 33.01 34.03 3hgu s GLN 282 CO 0.15 -0.05 0.28 0.08 -2.12 0.00 0.00 175.29 173.63 3hgu s VAL 283 N -2.93 5.24 -0.18 1.09 1.01 -1.26 -4.98 120.40 118.38 3hgu s VAL 283 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3hgu s VAL 283 Cb 0.01 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3hgu s VAL 283 CO -0.05 0.04 -0.13 -0.63 0.00 0.00 0.00 175.10 174.33 3hgu s ILE 284 N 1.87 2.75 -0.08 2.22 1.01 -1.26 -1.16 121.20 126.55 3hgu s ILE 284 Ca 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3hgu s ILE 284 Cb -0.17 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3hgu s ILE 284 CO 0.11 0.49 -0.09 -0.31 0.00 0.00 0.00 174.94 175.14 3hgu s TYR 285 N 1.13 2.86 0.06 3.97 1.51 0.14 -0.87 117.35 126.16 3hgu s TYR 285 Ca 0.01 -0.14 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 3hgu s TYR 285 Cb -0.14 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 3hgu s TYR 285 CO -0.04 0.19 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.97 3hgu s ASP 286 N -0.53 4.33 0.34 2.29 1.01 -0.50 -1.67 116.67 121.94 3hgu s ASP 286 Ca 0.08 -0.33 0.08 0.00 0.71 0.00 0.00 52.55 53.08 3hgu s ASP 286 Cb -0.12 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.92 3hgu s ASP 286 CO 0.02 0.22 0.21 -0.94 0.21 0.00 0.00 175.17 174.89 3hgu s SER 287 N -1.84 4.96 -1.38 0.27 1.04 -1.26 -2.81 113.70 112.68 3hgu s SER 287 Ca 0.19 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.83 3hgu s SER 287 Cb -0.11 -0.84 0.08 0.00 0.10 0.00 0.00 66.02 65.25 3hgu s SER 287 CO 0.10 -0.33 2.02 0.33 0.98 0.00 0.00 173.24 176.35 3hgu n PHE 288 N -1.26 3.76 -2.57 5.02 7.35 -1.25 -4.97 117.46 123.53 3hgu n PHE 288 Ca -0.02 -2.94 -0.38 0.00 -0.76 0.00 0.00 57.45 53.34 3hgu n PHE 288 Cb 0.61 -2.45 -0.05 0.00 0.35 0.00 0.00 39.48 37.94 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 3.00 7.11 0.00 -2.13 0.15 -1.21 -0.84 113.70 119.77 3hgu s SER 289 Ca 0.47 2.09 0.29 0.00 0.70 0.00 0.00 55.95 59.49 3hgu s SER 289 Cb 0.10 -2.60 1.18 0.00 -1.71 0.00 0.00 66.02 62.99 3hgu s SER 289 CO -0.03 -0.25 1.82 -0.81 1.20 0.00 0.00 173.24 175.17 3hgu n PRO 290 N 0.62 1.40 -0.14 5.44 -0.04 -1.26 -4.89 135.00 136.12 3hgu n PRO 290 Ca 0.02 -0.70 -0.11 0.00 -0.04 0.00 0.00 63.50 62.67 3hgu n PRO 290 Cb 0.48 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.71 0.89 -3.21 0.54 0.04 -1.49 -3.41 116.94 112.01 3hgu h PHE 291 Ca 0.00 -0.18 -0.67 0.00 2.80 0.00 0.00 57.97 59.91 3hgu h PHE 291 Cb 0.41 -0.22 -0.34 0.00 2.20 0.00 0.00 35.95 38.00 3hgu h PHE 291 CO 0.00 0.90 -0.87 0.42 -0.60 0.00 0.00 178.31 178.16 3hgu s ILE 292 N -4.84 2.05 -0.01 -0.55 1.01 -0.02 -1.22 121.20 117.62 3hgu s ILE 292 Ca -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.56 3hgu s ILE 292 Cb 0.10 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.77 3hgu s ILE 292 CO 0.82 0.55 -0.03 0.42 0.00 0.00 0.00 174.94 176.70 3hgu s THR 293 N 0.78 0.29 -0.05 2.92 -4.23 -0.91 -3.33 115.64 111.10 3hgu s THR 293 Ca -0.08 -0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 3hgu s THR 293 Cb -0.16 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 3hgu s THR 293 CO -0.01 0.11 0.10 -0.31 -0.54 0.00 0.00 174.62 173.97 3hgu s TYR 294 N 0.20 3.40 0.07 3.99 2.02 -1.26 -1.42 117.35 124.36 3hgu s TYR 294 Ca -0.02 0.32 0.08 0.00 -0.37 0.00 0.00 57.07 57.09 3hgu s TYR 294 Cb -0.05 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3hgu s TYR 294 CO -0.00 0.61 -0.22 0.34 -1.57 0.00 0.00 175.55 174.70 3hgu s ASP 295 N -1.45 2.69 -0.23 2.29 2.15 -0.35 -1.00 116.67 120.78 3hgu s ASP 295 Ca 0.20 -0.61 0.02 0.00 0.43 0.00 0.00 52.55 52.59 3hgu s ASP 295 Cb -0.12 -0.20 0.05 0.00 -0.30 0.00 0.00 42.92 42.35 3hgu s ASP 295 CO 0.10 0.15 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.45 3hgu s VAL 296 N -0.94 1.90 0.33 1.11 1.01 -1.26 -0.64 120.40 121.91 3hgu s VAL 296 Ca 0.09 -1.28 0.10 0.00 0.00 0.00 0.00 61.98 60.89 3hgu s VAL 296 Cb -0.09 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 3hgu s VAL 296 CO 0.03 0.11 -0.11 0.68 0.00 0.00 0.00 175.10 175.81 3hgu s VAL 297 N 1.26 2.25 0.38 2.92 -7.23 0.26 -1.18 120.40 119.05 3hgu s VAL 297 Ca -0.04 -2.23 -0.26 0.00 -1.81 0.00 0.00 61.98 57.64 3hgu s VAL 297 Cb -0.18 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 3hgu s VAL 297 CO -0.07 -0.23 1.17 -0.62 -0.31 0.00 0.00 175.10 175.03 3hgu s ASP 298 N -3.59 6.67 0.39 4.85 -1.08 0.22 -0.53 116.67 123.61 3hgu s ASP 298 Ca 0.32 2.35 0.11 0.00 -0.52 0.00 0.00 52.55 54.81 3hgu s ASP 298 Cb 0.01 -2.62 0.80 0.00 -1.46 0.00 0.00 42.92 39.65 3hgu s ASP 298 CO 0.16 -0.57 1.90 0.28 0.52 0.00 0.00 175.17 177.46 3hgu h SER 299 N 2.87 0.15 0.00 -0.34 0.02 -1.95 -1.37 113.55 112.93 3hgu h SER 299 Ca -0.48 -0.03 -0.43 0.00 -0.84 0.00 0.00 61.79 60.00 3hgu h SER 299 Cb 1.23 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 3hgu h SER 299 CO 0.63 0.36 -2.46 -0.38 -1.14 0.00 0.00 176.83 173.84 3hgu n ILE 300 N -4.24 1.44 0.03 3.27 -0.00 -1.26 -4.73 119.36 113.87 3hgu n ILE 300 Ca -0.01 -0.39 -0.11 0.00 -0.00 0.00 0.00 62.75 62.24 3hgu n ILE 300 Cb 0.30 -1.80 -0.13 0.00 -0.00 0.00 0.00 39.64 38.00 3hgu n ILE 300 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 3hgu h THR 301 N -0.83 1.23 -0.05 1.39 1.35 -1.98 -3.48 112.91 110.54 3hgu h THR 301 Ca -0.65 -2.96 -0.02 0.00 -0.55 0.00 0.00 66.41 62.23 3hgu h THR 301 Cb 1.62 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 70.70 3hgu h THR 301 CO -0.37 0.77 -0.02 0.00 -0.25 0.00 0.00 175.52 175.65 3hgu n ALA 302 N -2.54 -0.02 -2.40 6.62 0.00 -0.52 -4.97 120.51 116.69 3hgu n ALA 302 Ca -0.12 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 3hgu n ALA 302 Cb 1.01 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.07 3.95 -0.01 0.00 -1.52 -1.26 -4.62 119.66 115.13 3hgu s GLN 303 Ca 0.00 0.45 -0.36 0.00 -1.95 0.00 0.00 55.36 53.49 3hgu s GLN 303 Cb 0.00 -3.00 -0.15 0.00 -0.22 0.00 0.00 33.01 29.64 3hgu s GLN 303 CO 0.00 0.53 1.58 2.41 -0.25 0.00 0.00 175.29 179.56 3hgu n THR 304 N 1.00 0.17 -1.41 -0.19 -1.04 -1.26 -0.61 114.28 110.94 3hgu n THR 304 Ca -0.07 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 3hgu n THR 304 Cb 0.52 -1.25 0.20 0.00 -1.82 0.00 0.00 70.33 67.98 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 1.89 1.81 0.32 12.58 -7.23 -0.33 -4.86 120.40 124.58 3hgu s VAL 305 Ca 0.88 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.87 3hgu s VAL 305 Cb -0.87 -2.68 -0.09 0.00 0.56 0.00 0.00 36.38 33.29 3hgu s VAL 305 CO 0.50 0.00 0.80 -1.61 -0.31 0.00 0.00 175.10 174.47 3hgu s GLU 306 N -5.49 4.15 0.15 4.82 0.41 -1.26 -4.98 118.70 116.49 3hgu s GLU 306 Ca 0.70 0.86 -0.34 0.00 -0.41 0.00 0.00 54.97 55.78 3hgu s GLU 306 Cb -0.09 -2.50 -0.15 0.00 -1.78 0.00 0.00 34.13 29.60 3hgu s GLU 306 CO 0.55 0.18 1.33 0.66 -0.49 0.00 0.00 175.26 177.48 3hgu n TYR 307 N -0.13 1.65 0.00 1.61 4.01 -1.26 -0.86 117.16 122.19 3hgu n TYR 307 Ca 0.03 0.56 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 3hgu n TYR 307 Cb 0.53 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.19 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 2.45 2.09 3.88 2.72 0.00 -0.00 -5.01 105.19 111.33 3hgu n GLY 308 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.77 3.71 -0.02 1.61 2.02 -0.04 -4.79 118.70 120.42 3hgu s GLU 309 Ca 0.00 0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.80 3hgu s GLU 309 Cb 0.00 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 3hgu s GLU 309 CO 0.00 0.45 0.90 0.50 0.02 0.00 0.00 175.26 177.13 3hgu s ARG 310 N -2.50 4.53 0.28 1.61 3.52 -1.26 -1.42 118.95 123.71 3hgu s ARG 310 Ca 0.41 1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 57.25 3hgu s ARG 310 Cb -0.12 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 3hgu s ARG 310 CO 0.22 -0.01 0.34 0.20 -0.81 0.00 0.00 175.30 175.24 3hgu s GLY 311 N 0.93 1.45 0.27 8.12 0.00 -0.54 -4.95 107.32 112.60 3hgu s GLY 311 Ca 0.48 -1.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 3hgu s GLY 311 CO 0.25 -1.12 1.46 -1.31 0.00 0.00 0.00 173.10 172.37 3hgu s ASN 312 N -3.20 6.59 0.21 1.64 -0.87 0.31 -1.32 114.94 118.31 3hgu s ASN 312 Ca 0.33 2.75 -0.30 0.00 -1.57 0.00 0.00 52.86 54.07 3hgu s ASN 312 Cb 0.02 -2.63 -0.08 0.00 -0.02 0.00 0.00 41.25 38.54 3hgu s ASN 312 CO 0.17 -0.73 0.94 -0.69 -2.57 0.00 0.00 177.10 174.22 3hgu s VAL 313 N -0.21 4.18 -0.06 1.60 1.01 -0.41 -0.58 120.40 125.94 3hgu s VAL 313 Ca 0.58 2.08 0.00 0.00 0.00 0.00 0.00 61.98 64.65 3hgu s VAL 313 Cb -0.43 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 31.65 3hgu s VAL 313 CO 0.47 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 175.35 3hgu s ILE 314 N -0.89 0.57 0.02 2.22 -1.09 0.19 -2.20 121.20 120.01 3hgu s ILE 314 Ca 0.42 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.82 3hgu s ILE 314 Cb -0.25 -0.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.99 3hgu s ILE 314 CO 0.31 0.25 -0.23 0.54 -1.23 0.00 0.00 174.94 174.59 3hgu s VAL 315 N 1.19 1.82 -0.06 2.92 0.11 -0.55 -1.21 120.40 124.62 3hgu s VAL 315 Ca -0.07 -1.14 0.03 0.00 -2.93 0.00 0.00 61.98 57.87 3hgu s VAL 315 Cb -0.14 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 3hgu s VAL 315 CO -0.02 0.37 -0.14 0.42 -3.33 0.00 0.00 175.10 172.40 3hgu s THR 316 N -0.68 1.26 -0.20 5.04 -4.23 -0.51 -0.73 115.64 115.58 3hgu s THR 316 Ca 0.09 -0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 59.94 3hgu s THR 316 Cb -0.09 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 3hgu s THR 316 CO 0.01 0.38 0.12 -2.28 -0.54 0.00 0.00 174.62 172.31 3hgu s HIS 317 N 0.54 3.36 -0.08 3.99 2.46 0.73 -2.15 115.29 124.13 3hgu s HIS 317 Ca -0.13 0.25 -0.03 0.00 0.47 0.00 0.00 55.06 55.62 3hgu s HIS 317 Cb -0.15 -2.17 0.04 0.00 -0.13 0.00 0.00 32.58 30.18 3hgu s HIS 317 CO 0.04 0.21 0.15 -1.17 -2.47 0.00 0.00 174.74 171.51 3hgu s LEU 318 N 0.50 0.03 0.29 8.88 0.20 -0.36 -0.07 118.68 128.16 3hgu s LEU 318 Ca 0.07 0.31 -0.20 0.00 0.69 0.00 0.00 54.13 55.00 3hgu s LEU 318 Cb -0.12 0.25 0.04 0.00 -0.43 0.00 0.00 46.19 45.94 3hgu s LEU 318 CO -0.00 -0.23 0.81 -0.94 -0.29 0.00 0.00 176.35 175.69 3hgu s SER 319 N 2.16 -0.12 0.58 3.68 1.04 -0.21 -4.29 113.70 116.54 3hgu s SER 319 Ca 0.02 -0.79 0.28 0.00 0.48 0.00 0.00 55.95 55.93 3hgu s SER 319 Cb -0.12 0.72 1.55 0.00 0.10 0.00 0.00 66.02 68.27 3hgu s SER 319 CO -0.06 -1.39 2.02 -0.65 0.98 0.00 0.00 173.24 174.15 3hgu h PRO 320 N 2.00 0.00 0.00 4.02 0.11 -1.96 -2.76 132.00 133.40 3hgu h PRO 320 Ca -0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 3hgu h PRO 320 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hgu h PRO 320 CO 0.31 0.00 -1.18 -1.49 -0.21 0.00 0.00 178.00 175.44 3hgu h TRP 321 N 0.00 0.00 -2.53 0.65 6.55 -2.00 -3.47 115.95 115.16 3hgu h TRP 321 Ca 0.15 0.00 0.11 0.00 0.95 0.00 0.00 58.89 60.10 3hgu h TRP 321 Cb 0.78 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.98 3hgu h TRP 321 CO 0.00 0.30 0.40 0.00 -1.05 0.00 0.00 178.44 178.10 3hgu s ALA 322 N -3.13 -1.63 -0.16 1.49 0.00 -1.04 -4.67 121.76 112.61 3hgu s ALA 322 Ca -0.01 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 3hgu s ALA 322 Cb 0.09 0.65 0.08 0.00 0.00 0.00 0.00 23.12 23.93 3hgu s ALA 322 CO 0.80 -0.89 0.23 0.12 0.00 0.00 0.00 175.76 176.01 3hgu s PHE 323 N -3.41 -0.32 -0.38 0.00 5.36 -1.26 -1.04 117.98 116.93 3hgu s PHE 323 Ca 0.08 0.52 0.01 0.00 -0.96 0.00 0.00 56.93 56.58 3hgu s PHE 323 Cb -0.02 -0.24 0.14 0.00 -0.34 0.00 0.00 43.02 42.56 3hgu s PHE 323 CO -0.03 -0.48 0.22 0.71 -1.46 0.00 0.00 175.22 174.18 3hgu s TYR 324 N 2.36 1.10 0.24 10.12 2.02 0.89 -5.00 117.35 129.09 3hgu s TYR 324 Ca 0.05 -1.89 -0.26 0.00 -0.37 0.00 0.00 57.07 54.60 3hgu s TYR 324 Cb -0.14 -1.20 -0.09 0.00 -0.40 0.00 0.00 41.96 40.13 3hgu s TYR 324 CO -0.10 -0.81 0.87 -1.25 -1.57 0.00 0.00 175.55 172.68 3hgu s PRO 325 N 0.81 4.62 -1.49 -1.71 0.04 -1.26 -0.20 135.00 135.82 3hgu s PRO 325 Ca 0.19 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 3hgu s PRO 325 Cb -0.22 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.29 3hgu s PRO 325 CO -0.00 0.45 0.64 0.54 0.04 0.00 0.00 177.00 178.67 3hgu n ARG 326 N 1.15 -3.85 -2.39 4.56 5.12 -1.19 -4.08 116.66 115.98 3hgu n ARG 326 Ca -0.02 0.46 -0.42 0.00 -1.93 0.00 0.00 57.85 55.93 3hgu n ARG 326 Cb 0.49 -4.92 -0.03 0.00 -1.16 0.00 0.00 32.46 26.84 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 -3.64 4.07 -0.54 1.55 1.01 0.09 -4.14 120.40 118.79 3hgu s VAL 327 Ca 0.30 1.43 -0.28 0.00 0.00 0.00 0.00 61.98 63.43 3hgu s VAL 327 Cb -0.16 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3hgu s VAL 327 CO 0.88 0.02 1.33 0.00 0.00 0.00 0.00 175.10 177.33 3hgu s ALA 328 N 2.02 2.91 0.61 5.51 0.00 -1.26 -1.48 121.76 130.08 3hgu s ALA 328 Ca 0.58 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 3hgu s ALA 328 Cb -0.27 -4.05 -0.02 0.00 0.00 0.00 0.00 23.12 18.77 3hgu s ALA 328 CO 0.25 -2.75 0.99 -1.21 0.00 0.00 0.00 175.76 173.03 3hgu s GLU 329 N 5.21 3.34 -0.45 0.00 0.41 -0.93 -4.96 118.70 121.32 3hgu s GLU 329 Ca 0.50 0.50 0.01 0.00 -0.41 0.00 0.00 54.97 55.57 3hgu s GLU 329 Cb -0.10 -2.14 0.46 0.00 -1.78 0.00 0.00 34.13 30.57 3hgu s GLU 329 CO 0.26 -0.63 1.88 0.54 -0.49 0.00 0.00 175.26 176.83 3hgu n ARG 330 N -2.70 2.19 -4.28 1.61 1.74 -1.26 -4.57 116.66 109.38 3hgu n ARG 330 Ca 0.05 -2.55 -0.20 0.00 -0.77 0.00 0.00 57.85 54.39 3hgu n ARG 330 Cb 0.55 -2.00 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 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 -0.98 2.28 0.25 0.55 1.01 -1.26 -0.51 116.67 118.01 3hgu s ASP 331 Ca 0.49 -0.83 0.10 0.00 0.71 0.00 0.00 52.55 53.02 3hgu s ASP 331 Cb 0.40 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 44.18 3hgu s ASP 331 CO 0.04 -0.10 -0.09 0.42 0.21 0.00 0.00 175.17 175.66 3hgu s THR 332 N -2.10 3.09 0.07 -1.27 -4.23 0.42 -1.29 115.64 110.33 3hgu s THR 332 Ca 0.12 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.44 3hgu s THR 332 Cb -0.05 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.23 3hgu s THR 332 CO 0.04 -0.31 0.47 0.00 -0.54 0.00 0.00 174.62 174.29 3hgu s ALA 333 N -2.19 -1.18 0.05 3.99 0.00 -0.43 -0.88 121.76 121.12 3hgu s ALA 333 Ca 0.29 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.31 3hgu s ALA 333 Cb -0.07 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.48 3hgu s ALA 333 CO 0.17 -0.55 1.26 0.42 0.00 0.00 0.00 175.76 177.07 3hgu s ILE 334 N -2.87 3.87 -0.01 0.00 -1.09 -0.10 -1.47 121.20 119.53 3hgu s ILE 334 Ca -0.03 1.32 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 3hgu s ILE 334 Cb -0.00 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3hgu s ILE 334 CO -0.05 0.08 0.94 -0.60 -1.23 0.00 0.00 174.94 174.07 3hgu s ARG 335 N 1.37 4.54 0.12 2.79 3.52 -0.51 -1.67 118.95 129.11 3hgu s ARG 335 Ca 0.60 1.34 0.05 0.00 -0.13 0.00 0.00 55.73 57.59 3hgu s ARG 335 Cb -0.31 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 3hgu s ARG 335 CO 0.28 -0.03 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.10 3hgu s LEU 336 N 0.98 2.42 0.25 -0.88 1.43 -0.31 -0.82 118.68 121.76 3hgu s LEU 336 Ca 0.50 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 3hgu s LEU 336 Cb -0.20 -0.46 -0.11 0.00 0.03 0.00 0.00 46.19 45.44 3hgu s LEU 336 CO 0.26 -0.20 1.55 -2.84 0.23 0.00 0.00 176.35 175.36 3hgu s PRO 337 N -2.82 4.19 1.16 1.29 0.02 -1.26 -1.28 135.00 136.29 3hgu s PRO 337 Ca 0.09 2.46 -0.19 0.00 0.02 0.00 0.00 61.00 63.38 3hgu s PRO 337 Cb -0.04 -3.08 0.27 0.00 0.02 0.00 0.00 34.50 31.68 3hgu s PRO 337 CO 0.02 -0.57 1.16 0.20 -0.33 0.00 0.00 177.00 177.49 3hgu s GLY 338 N 0.60 1.63 0.00 0.52 0.00 -1.25 -4.35 107.32 104.48 3hgu s GLY 338 Ca 0.64 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3hgu s GLY 338 CO 0.42 -0.17 0.00 -0.62 0.00 0.00 0.00 173.10 172.74 3hgu n VAL 339 N -4.56 0.00 -2.46 1.40 0.31 -1.26 -4.84 118.33 106.93 3hgu n VAL 339 Ca 0.14 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 3hgu n VAL 339 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 3hgu n VAL 339 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3hgu n SER 340 N 0.00 4.57 0.00 4.52 2.88 -1.26 -4.84 113.62 119.49 3hgu n SER 340 Ca 0.00 -3.67 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 3hgu n SER 340 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 3hgu n SER 340 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hgu n GLY 341 N -0.48 1.49 3.76 0.46 0.00 -1.26 -5.10 105.19 104.05 3hgu n GLY 341 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.68 2.43 0.60 1.61 0.40 -1.26 -5.01 117.98 115.07 3hgu s PHE 342 Ca 0.00 1.53 -0.15 0.00 -0.60 0.00 0.00 56.93 57.71 3hgu s PHE 342 Cb 0.00 -3.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.09 3hgu s PHE 342 CO 0.00 -2.08 1.06 0.00 0.70 0.00 0.00 175.22 174.90 3hgu s ALA 343 N -1.74 2.73 0.00 5.36 0.00 -1.26 -4.51 121.76 122.34 3hgu s ALA 343 Ca 0.75 0.37 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3hgu s ALA 343 Cb -0.28 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hgu s ALA 343 CO 0.34 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3hgu n GLY 344 N -1.04 2.18 3.86 0.00 0.00 -1.26 -4.76 105.19 104.17 3hgu n GLY 344 Ca 0.09 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 6.50 0.30 1.61 1.01 -0.17 -3.93 116.67 121.99 3hgu s ASP 345 Ca 0.00 1.42 -0.05 0.00 0.71 0.00 0.00 52.55 54.62 3hgu s ASP 345 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3hgu s ASP 345 CO 0.00 -0.61 0.57 -0.60 0.21 0.00 0.00 175.17 174.74 3hgu s ARG 346 N -4.30 3.65 0.13 8.23 3.52 -0.40 -4.45 118.95 125.33 3hgu s ARG 346 Ca 0.56 0.05 0.10 0.00 -0.13 0.00 0.00 55.73 56.32 3hgu s ARG 346 Cb -0.10 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3hgu s ARG 346 CO 0.37 0.19 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.29 3hgu s LEU 347 N -3.57 2.34 0.01 -0.88 1.43 -0.67 -1.16 118.68 116.19 3hgu s LEU 347 Ca 0.45 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3hgu s LEU 347 Cb -0.11 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3hgu s LEU 347 CO 0.30 0.14 -0.04 0.00 0.23 0.00 0.00 176.35 176.98 3hgu s ALA 348 N -1.20 0.31 -1.06 4.21 0.00 -0.67 0.23 121.76 123.58 3hgu s ALA 348 Ca 0.13 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 3hgu s ALA 348 Cb -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3hgu s ALA 348 CO 0.06 -0.00 0.80 -0.25 0.00 0.00 0.00 175.76 176.36 3hgu n ASP 349 N 2.32 -5.80 -4.76 0.00 8.00 -0.31 -0.92 116.55 115.08 3hgu n ASP 349 Ca -0.17 -0.86 -0.38 0.00 0.71 0.00 0.00 54.79 54.08 3hgu n ASP 349 Cb 0.57 -3.78 0.01 0.00 -0.02 0.00 0.00 41.12 37.91 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 -3.37 2.62 0.01 0.53 1.09 -1.26 -4.39 121.20 116.42 3hgu s ILE 350 Ca 0.39 0.47 -0.02 0.00 -1.10 0.00 0.00 60.65 60.39 3hgu s ILE 350 Cb -0.12 -3.24 -0.01 0.00 -1.06 0.00 0.00 42.46 38.03 3hgu s ILE 350 CO 0.83 -0.00 0.04 -1.61 -0.10 0.00 0.00 174.94 174.09 3hgu s GLU 351 N -2.77 0.30 0.54 2.79 2.02 -0.06 -4.69 118.70 116.83 3hgu s GLU 351 Ca 0.67 -0.39 -0.21 0.00 0.02 0.00 0.00 54.97 55.06 3hgu s GLU 351 Cb -0.34 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 33.95 3hgu s GLU 351 CO 0.41 -0.06 1.25 -1.25 0.02 0.00 0.00 175.26 175.63 3hgu s PRO 352 N -1.08 3.23 0.00 0.39 0.04 -1.26 -0.44 135.00 135.88 3hgu s PRO 352 Ca -0.12 1.95 0.10 0.00 0.04 0.00 0.00 61.00 62.97 3hgu s PRO 352 Cb -0.07 -2.16 0.59 0.00 0.04 0.00 0.00 34.50 32.90 3hgu s PRO 352 CO -0.00 -1.03 1.03 1.28 0.04 0.00 0.00 177.00 178.32