#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgu n THR 3 N 0.00 1.82 0.16 3.45 -1.04 -1.26 -3.90 114.28 113.51 1hgu n THR 3 Ca 0.00 -0.66 0.11 0.00 -2.04 0.00 0.00 64.05 61.46 1hgu n THR 3 Cb 0.00 -1.57 -0.11 0.00 -1.82 0.00 0.00 70.33 66.84 1hgu n THR 3 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1hgu n ILE 4 N 1.97 0.16 -1.69 12.58 -5.35 -1.26 -4.87 119.36 120.90 1hgu n ILE 4 Ca 0.12 -0.44 -0.45 0.00 -0.27 0.00 0.00 62.75 61.71 1hgu n ILE 4 Cb 0.50 0.02 -0.04 0.00 -1.74 0.00 0.00 39.64 38.39 1hgu n ILE 4 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1hgu n PRO 5 N -2.26 2.38 0.19 6.28 -0.04 -1.25 -4.68 135.00 135.61 1hgu n PRO 5 Ca -0.02 0.86 0.07 0.00 -0.04 0.00 0.00 63.50 64.37 1hgu n PRO 5 Cb 0.53 -2.66 0.25 0.00 -0.04 0.00 0.00 33.50 31.59 1hgu n PRO 5 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1hgu h LEU 6 N 6.32 0.00 -1.21 1.53 6.46 -1.97 -2.39 115.31 124.05 1hgu h LEU 6 Ca -0.44 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.33 1hgu h LEU 6 Cb 1.24 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 1hgu h LEU 6 CO 0.91 0.32 0.54 0.28 -0.62 0.00 0.00 178.44 179.87 1hgu h SER 7 N 0.00 0.91 0.00 1.25 0.02 -1.99 0.08 113.55 113.83 1hgu h SER 7 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1hgu h SER 7 Cb 1.03 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1hgu h SER 7 CO 0.04 0.65 0.14 0.03 -1.14 0.00 0.00 176.83 176.55 1hgu h ARG 8 N 1.07 0.00 0.16 3.45 -0.00 -1.77 0.13 114.38 117.43 1hgu h ARG 8 Ca 0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.78 1hgu h ARG 8 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.89 1hgu h ARG 8 CO -0.07 0.00 -0.08 -0.07 0.00 0.00 0.00 179.97 179.75 1hgu h LEU 9 N 0.00 -0.18 -1.37 3.04 4.07 -1.16 0.16 115.31 119.87 1hgu h LEU 9 Ca 0.00 -0.31 0.20 0.00 0.08 0.00 0.00 57.88 57.86 1hgu h LEU 9 Cb 0.27 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 41.98 1hgu h LEU 9 CO 0.00 0.39 0.61 -0.26 -1.08 0.00 0.00 178.44 178.10 1hgu h PHE 10 N -0.94 0.69 0.00 1.13 0.04 -1.11 -1.94 116.94 114.81 1hgu h PHE 10 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1hgu h PHE 10 Cb 0.48 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1hgu h PHE 10 CO 0.08 0.17 0.00 0.94 -0.60 0.00 0.00 178.31 178.90 1hgu n GLN 11 N -4.58 0.00 -0.36 1.51 -0.06 0.29 -1.25 117.38 112.94 1hgu n GLN 11 Ca 0.21 0.46 0.01 0.00 -2.00 0.00 0.00 57.00 55.68 1hgu n GLN 11 Cb 0.67 -1.38 0.07 0.00 -4.06 0.00 0.00 30.24 25.54 1hgu n GLN 11 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1hgu n ASN 12 N -1.88 -0.52 -0.17 1.69 2.85 0.55 0.15 115.26 117.92 1hgu n ASN 12 Ca 0.00 1.65 -0.08 0.00 -0.11 0.00 0.00 54.58 56.04 1hgu n ASN 12 Cb 0.00 -0.42 0.01 0.00 1.24 0.00 0.00 39.78 40.61 1hgu n ASN 12 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1hgu h ALA 13 N 1.51 0.63 0.27 5.20 0.00 -1.40 -1.82 119.26 123.65 1hgu h ALA 13 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1hgu h ALA 13 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hgu h ALA 13 CO -0.95 0.16 -0.13 0.52 0.00 0.00 0.00 179.25 178.84 1hgu h MET 14 N 0.65 -0.35 0.04 0.00 2.86 0.28 0.84 114.93 119.24 1hgu h MET 14 Ca 0.17 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1hgu h MET 14 Cb 0.06 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1hgu h MET 14 CO -0.03 -0.18 -0.45 -0.07 1.06 0.00 0.00 176.91 177.24 1hgu h LEU 15 N -0.44 -1.37 -1.50 1.22 4.07 -0.99 -2.07 115.31 114.23 1hgu h LEU 15 Ca -0.04 0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 1hgu h LEU 15 Cb 0.33 0.52 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1hgu h LEU 15 CO 0.06 -0.49 -0.25 0.03 -1.08 0.00 0.00 178.44 176.71 1hgu h ARG 16 N -0.64 0.00 0.00 1.13 3.08 -0.97 0.47 114.38 117.45 1hgu h ARG 16 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1hgu h ARG 16 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1hgu h ARG 16 CO -0.30 0.25 -0.56 0.00 -1.07 0.00 0.00 179.97 178.29 1hgu h ALA 17 N 1.75 0.69 0.02 0.04 0.00 0.12 0.21 119.26 122.09 1hgu h ALA 17 Ca -0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 1hgu h ALA 17 Cb 0.52 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1hgu h ALA 17 CO 0.03 0.70 -1.35 0.45 0.00 0.00 0.00 179.25 179.08 1hgu h HIS 18 N 0.00 0.07 -0.15 0.00 3.86 -0.91 0.15 115.15 118.17 1hgu h HIS 18 Ca -0.01 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1hgu h HIS 18 Cb 1.34 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.81 1hgu h HIS 18 CO 0.00 1.06 0.26 -0.09 0.86 0.00 0.00 177.93 180.02 1hgu h ARG 19 N 0.01 0.00 0.05 2.45 9.65 -0.68 0.24 114.38 126.10 1hgu h ARG 19 Ca -0.15 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.39 1hgu h ARG 19 Cb 1.90 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.44 1hgu h ARG 19 CO 0.11 0.00 -1.94 -0.11 2.80 0.00 0.00 179.97 180.83 1hgu n LEU 20 N -3.44 1.65 -0.36 3.80 0.00 0.72 -3.70 117.00 115.68 1hgu n LEU 20 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 56.01 56.27 1hgu n LEU 20 Cb 0.36 -0.39 0.12 0.00 0.00 0.00 0.00 43.42 43.52 1hgu n LEU 20 CO 0.23 0.62 1.27 -0.74 0.00 0.00 0.00 177.39 178.76 1hgu h HIS 21 N 0.03 1.18 -0.40 1.96 2.76 0.23 -3.07 115.15 117.83 1hgu h HIS 21 Ca -0.39 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.77 1hgu h HIS 21 Cb 2.04 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 30.58 1hgu h HIS 21 CO 0.03 0.70 0.08 1.96 -1.30 0.00 0.00 177.93 179.40 1hgu h GLN 22 N 1.23 0.60 0.02 5.26 4.20 -1.49 0.92 115.11 125.86 1hgu h GLN 22 Ca 0.37 -0.11 -0.24 0.00 0.06 0.00 0.00 58.65 58.73 1hgu h GLN 22 Cb -0.04 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1hgu h GLN 22 CO -0.11 0.57 -1.19 -0.07 -0.67 0.00 0.00 178.83 177.36 1hgu h LEU 23 N 0.59 0.08 -0.10 1.46 4.07 -1.63 0.20 115.31 119.98 1hgu h LEU 23 Ca 0.13 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1hgu h LEU 23 Cb 0.26 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1hgu h LEU 23 CO 0.00 1.08 -0.17 0.00 -1.08 0.00 0.00 178.44 178.27 1hgu h ALA 24 N 0.91 0.16 0.00 1.53 0.00 -1.09 -2.19 119.26 118.58 1hgu h ALA 24 Ca -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1hgu h ALA 24 Cb 1.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1hgu h ALA 24 CO 0.13 0.07 -0.17 0.35 0.00 0.00 0.00 179.25 179.63 1hgu h PHE 25 N -0.14 0.00 0.57 0.00 3.04 -0.99 0.29 116.94 119.71 1hgu h PHE 25 Ca 0.01 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1hgu h PHE 25 Cb 0.74 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1hgu h PHE 25 CO 0.10 0.17 -0.32 0.22 -2.02 0.00 0.00 178.31 176.47 1hgu h ASP 26 N 0.00 -0.79 -0.99 0.41 3.58 -0.47 -1.87 116.42 116.29 1hgu h ASP 26 Ca -0.00 0.04 0.18 0.00 0.42 0.00 0.00 57.03 57.67 1hgu h ASP 26 Cb 0.69 0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.87 1hgu h ASP 26 CO 0.02 -0.51 0.61 0.74 -2.88 0.00 0.00 179.24 177.23 1hgu h THR 27 N -0.83 0.73 0.49 2.25 2.02 -1.32 0.64 112.91 116.90 1hgu h THR 27 Ca -0.08 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1hgu h THR 27 Cb 0.65 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1hgu h THR 27 CO 0.10 0.14 -0.24 0.22 0.37 0.00 0.00 175.52 176.11 1hgu h TYR 28 N 0.75 -0.61 -0.28 3.16 3.20 -0.38 -2.95 116.97 119.86 1hgu h TYR 28 Ca 0.55 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.47 1hgu h TYR 28 Cb 0.88 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 39.28 1hgu h TYR 28 CO -0.00 -0.35 -0.37 0.93 -1.64 0.00 0.00 178.16 176.72 1hgu h GLU 29 N -0.72 -0.35 -0.43 1.82 4.39 -0.00 -1.57 114.58 117.72 1hgu h GLU 29 Ca -0.07 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1hgu h GLU 29 Cb 0.54 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1hgu h GLU 29 CO 0.11 -0.23 -0.06 1.05 -1.16 0.00 0.00 179.01 178.72 1hgu h GLU 30 N -0.36 0.80 -1.00 2.33 4.11 -1.65 -3.29 114.58 115.51 1hgu h GLU 30 Ca 0.12 -0.28 0.13 0.00 0.07 0.00 0.00 59.36 59.40 1hgu h GLU 30 Cb 0.57 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1hgu h GLU 30 CO -0.47 0.90 0.62 0.35 0.07 0.00 0.00 179.01 180.47 1hgu h PHE 31 N 0.63 1.12 -0.39 2.06 3.57 -1.10 0.12 116.94 122.95 1hgu h PHE 31 Ca 0.11 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 1hgu h PHE 31 Cb 0.58 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1hgu h PHE 31 CO 0.05 0.41 -0.39 1.05 -2.23 0.00 0.00 178.31 177.20 1hgu h GLU 32 N 0.95 0.94 -0.15 1.11 4.11 -1.57 -3.06 114.58 116.91 1hgu h GLU 32 Ca 0.51 -0.49 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1hgu h GLU 32 Cb 0.56 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1hgu h GLU 32 CO -0.29 1.15 0.00 0.93 0.07 0.00 0.00 179.01 180.88 1hgu h GLU 33 N 0.76 0.26 0.00 1.06 5.08 -0.91 0.15 114.58 120.99 1hgu h GLU 33 Ca 0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1hgu h GLU 33 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1hgu h GLU 33 CO 0.10 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 1hgu n ALA 34 N -2.30 1.74 0.04 3.43 0.00 -0.51 -3.98 120.51 118.94 1hgu n ALA 34 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1hgu n ALA 34 Cb 0.21 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1hgu n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hgu n TYR 35 N -0.87 -0.72 -3.21 0.00 4.01 -1.01 -5.04 117.16 110.33 1hgu n TYR 35 Ca 0.04 0.13 -0.45 0.00 -0.16 0.00 0.00 57.90 57.46 1hgu n TYR 35 Cb 0.02 0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1hgu n TYR 35 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1hgu n ILE 36 N -2.79 4.53 0.00 -0.72 -0.00 0.51 -5.09 119.36 115.80 1hgu n ILE 36 Ca 0.00 -5.24 0.00 0.00 -0.00 0.00 0.00 62.75 57.51 1hgu n ILE 36 Cb 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 39.64 37.11 1hgu n ILE 36 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1hgu n PRO 37 N 3.35 0.00 0.00 0.38 -0.03 -1.26 -4.36 135.00 133.08 1hgu n PRO 37 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 63.50 63.75 1hgu n PRO 37 Cb 0.40 0.00 0.00 0.00 -0.03 0.00 0.00 33.50 33.87 1hgu n PRO 37 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 175.50 176.51 1hgu n GLN 40 N 0.00 -1.37 0.07 -0.52 6.02 -1.26 -5.70 117.38 114.62 1hgu n GLN 40 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1hgu n GLN 40 Cb 0.00 -1.95 -0.08 0.00 1.02 0.00 0.00 30.24 29.23 1hgu n GLN 40 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1hgu h LYS 41 N 0.00 -0.22 -1.62 -1.09 1.57 -2.00 -2.71 116.57 110.50 1hgu h LYS 41 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1hgu h LYS 41 Cb 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1hgu h LYS 41 CO 0.00 0.18 0.00 0.98 -0.57 0.00 0.00 179.45 180.05 1hgu n TYR 42 N -4.98 0.01 0.09 -1.35 9.36 -1.26 -1.77 117.16 117.26 1hgu n TYR 42 Ca -0.09 -0.82 -0.12 0.00 3.32 0.00 0.00 57.90 60.19 1hgu n TYR 42 Cb 0.26 -0.41 -0.08 0.00 -0.63 0.00 0.00 39.34 38.48 1hgu n TYR 42 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1hgu h SER 43 N 0.63 -0.22 0.00 2.98 4.64 -1.94 -3.44 113.55 116.21 1hgu h SER 43 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1hgu h SER 43 Cb 1.00 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1hgu h SER 43 CO 0.01 0.23 0.00 2.22 -0.87 0.00 0.00 176.83 178.41 1hgu n PHE 44 N -5.01 0.00 0.30 4.77 1.16 -1.25 -5.05 117.46 112.38 1hgu n PHE 44 Ca -0.09 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.65 1hgu n PHE 44 Cb 0.26 0.22 0.91 0.00 -1.61 0.00 0.00 39.48 39.26 1hgu n PHE 44 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1hgu h LEU 45 N 0.00 0.00 0.19 5.98 3.38 -1.61 -3.40 115.31 119.86 1hgu h LEU 45 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1hgu h LEU 45 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hgu h LEU 45 CO 0.00 0.03 -0.09 1.56 0.09 0.00 0.00 178.44 180.03 1hgu h GLN 46 N 0.00 -0.25 0.43 1.13 4.20 -1.93 -3.16 115.11 115.53 1hgu h GLN 46 Ca -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1hgu h GLN 46 Cb 0.10 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1hgu h GLN 46 CO 0.00 -0.17 -0.34 0.00 -0.67 0.00 0.00 178.83 177.65 1hgu h ALA 47 N -1.74 -0.79 0.00 3.87 0.00 -1.98 -2.20 119.26 116.43 1hgu h ALA 47 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1hgu h ALA 47 Cb 0.20 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1hgu h ALA 47 CO 0.04 -0.97 0.07 -0.35 0.00 0.00 0.00 179.25 178.05 1hgu n PRO 48 N -5.46 0.00 -1.76 0.00 -0.04 -1.26 -0.85 135.00 125.62 1hgu n PRO 48 Ca -0.11 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1hgu n PRO 48 Cb 0.36 -1.57 0.07 0.00 -0.04 0.00 0.00 33.50 32.32 1hgu n PRO 48 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1hgu n GLN 49 N -1.07 2.29 -0.37 0.54 6.02 -0.85 -5.07 117.38 118.87 1hgu n GLN 49 Ca 0.00 -3.56 0.00 0.00 -0.01 0.00 0.00 57.00 53.43 1hgu n GLN 49 Cb 0.07 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1hgu n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hgu n ALA 50 N -0.65 0.11 -0.89 -1.58 0.00 -0.03 -4.87 120.51 112.61 1hgu n ALA 50 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hgu n ALA 50 Cb 0.89 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1hgu n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hgu n SER 51 N 1.51 0.00 0.00 0.00 2.88 -1.26 -5.08 113.62 111.67 1hgu n SER 51 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1hgu n SER 51 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1hgu n SER 51 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1hgu n LEU 52 N 0.00 0.00 0.00 2.46 0.00 -1.26 -5.10 117.00 113.10 1hgu n LEU 52 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.09 1hgu n LEU 52 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 1hgu n LEU 52 CO 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 177.39 177.28 1hgu n PHE 54 N -2.55 3.26 0.26 0.00 3.01 -1.25 -4.53 117.46 115.65 1hgu n PHE 54 Ca 0.00 -2.91 0.16 0.00 1.01 0.00 0.00 57.45 55.72 1hgu n PHE 54 Cb 0.27 -0.75 0.56 0.00 -0.01 0.00 0.00 39.48 39.55 1hgu n PHE 54 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1hgu h SER 55 N 3.13 0.00 -3.83 4.37 0.02 -1.81 -3.38 113.55 112.06 1hgu h SER 55 Ca 0.41 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.61 1hgu h SER 55 Cb 0.43 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.67 1hgu h SER 55 CO 1.10 0.00 -0.16 -1.61 -1.14 0.00 0.00 176.83 175.03 1hgu s GLU 56 N -3.56 3.03 0.00 3.45 8.01 -1.26 -4.19 118.70 124.19 1hgu s GLU 56 Ca 0.03 -2.35 0.00 0.00 0.01 0.00 0.00 54.97 52.65 1hgu s GLU 56 Cb 0.08 -4.09 0.00 0.00 -4.31 0.00 0.00 34.13 25.81 1hgu s GLU 56 CO 0.58 -1.24 0.00 -1.13 0.01 0.00 0.00 175.26 173.48 1hgu n SER 57 N 3.98 0.00 -3.84 -0.19 3.41 -1.26 -4.96 113.62 110.76 1hgu n SER 57 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1hgu n SER 57 Cb 0.42 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.22 1hgu n SER 57 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hgu s ILE 58 N 0.00 1.36 -0.14 -1.33 1.01 -1.26 -5.05 121.20 115.79 1hgu s ILE 58 Ca 0.00 -1.65 -0.34 0.00 0.00 0.00 0.00 60.65 58.66 1hgu s ILE 58 Cb 0.00 -1.98 -0.11 0.00 0.01 0.00 0.00 42.46 40.38 1hgu s ILE 58 CO 0.00 -0.58 1.96 -2.65 0.00 0.00 0.00 174.94 173.66 1hgu n PRO 59 N 4.65 2.02 0.00 2.79 -0.02 -1.26 -4.26 135.00 138.92 1hgu n PRO 59 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1hgu n PRO 59 Cb 0.42 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1hgu n PRO 59 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1hgu n THR 60 N 5.67 0.00 -0.63 3.45 -1.04 -1.26 -4.86 114.28 115.60 1hgu n THR 60 Ca 0.26 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.15 1hgu n THR 60 Cb 0.30 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.74 1hgu n THR 60 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1hgu n PRO 61 N 0.28 1.45 -3.65 -2.82 -0.01 -1.26 -4.83 135.00 124.16 1hgu n PRO 61 Ca 0.00 -0.85 -0.23 0.00 -0.01 0.00 0.00 63.50 62.42 1hgu n PRO 61 Cb 0.00 -1.99 -0.18 0.00 -0.01 0.00 0.00 33.50 31.33 1hgu n PRO 61 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1hgu s SER 62 N 2.69 1.68 0.13 2.55 0.15 -1.26 -4.77 113.70 114.86 1hgu s SER 62 Ca 0.40 -0.23 -0.17 0.00 0.70 0.00 0.00 55.95 56.65 1hgu s SER 62 Cb 0.16 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1hgu s SER 62 CO -0.01 -0.29 0.43 0.21 1.20 0.00 0.00 173.24 174.78 1hgu s ASN 63 N 2.15 -0.27 -0.46 5.45 3.04 -1.26 -5.02 114.94 118.56 1hgu s ASN 63 Ca 0.04 -0.30 -0.22 0.00 0.04 0.00 0.00 52.86 52.42 1hgu s ASN 63 Cb -0.14 0.49 0.03 0.00 -1.54 0.00 0.00 41.25 40.09 1hgu s ASN 63 CO -0.06 -0.88 0.73 -0.13 -3.04 0.00 0.00 177.10 173.73 1hgu s ARG 64 N -3.80 3.32 -0.21 0.43 3.00 -1.26 -4.68 118.95 115.75 1hgu s ARG 64 Ca 0.03 -0.31 -0.18 0.00 0.00 0.00 0.00 55.73 55.27 1hgu s ARG 64 Cb 0.01 -3.97 0.05 0.00 0.00 0.00 0.00 34.95 31.05 1hgu s ARG 64 CO -0.12 -1.13 0.54 -2.00 0.00 0.00 0.00 175.30 172.60 1hgu s GLU 65 N 3.12 0.63 -0.47 3.54 -6.30 -1.26 -5.15 118.70 112.80 1hgu s GLU 65 Ca 0.26 0.78 -0.27 0.00 -2.50 0.00 0.00 54.97 53.23 1hgu s GLU 65 Cb -0.14 0.29 0.03 0.00 0.00 0.00 0.00 34.13 34.31 1hgu s GLU 65 CO 0.20 -0.08 1.02 -1.14 0.02 0.00 0.00 175.26 175.27 1hgu s GLN 66 N 0.40 3.62 0.13 4.30 0.74 -1.26 -4.93 119.66 122.65 1hgu s GLN 66 Ca -0.01 0.34 -0.26 0.00 0.05 0.00 0.00 55.36 55.49 1hgu s GLN 66 Cb -0.04 -3.92 -0.15 0.00 1.10 0.00 0.00 33.01 30.01 1hgu s GLN 66 CO -0.01 -1.29 0.54 0.00 -0.55 0.00 0.00 175.29 173.98 1hgu n ALA 67 N 7.46 -2.69 -2.65 1.58 0.00 -1.26 -4.85 120.51 118.09 1hgu n ALA 67 Ca 0.09 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1hgu n ALA 67 Cb 0.49 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1hgu n ALA 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1hgu s GLN 68 N -0.63 3.58 -0.19 0.00 0.00 -1.26 -4.56 119.66 116.60 1hgu s GLN 68 Ca 0.58 -0.16 -0.23 0.00 -0.00 0.00 0.00 55.36 55.56 1hgu s GLN 68 Cb -0.84 -2.76 -0.02 0.00 0.00 0.00 0.00 33.01 29.39 1hgu s GLN 68 CO 0.47 0.34 0.72 -1.14 0.00 0.00 0.00 175.29 175.67 1hgu s GLN 69 N -3.31 4.24 0.32 9.60 0.74 -1.26 -4.86 119.66 125.13 1hgu s GLN 69 Ca 0.41 0.78 0.03 0.00 0.05 0.00 0.00 55.36 56.64 1hgu s GLN 69 Cb -0.11 -3.58 -0.01 0.00 1.10 0.00 0.00 33.01 30.40 1hgu s GLN 69 CO 0.28 -0.30 0.12 1.63 -0.55 0.00 0.00 175.29 176.47 1hgu n LYS 70 N 5.22 0.64 -3.89 1.67 5.02 -1.26 -5.17 118.16 120.39 1hgu n LYS 70 Ca 0.01 -2.74 -0.36 0.00 -2.02 0.00 0.00 58.31 53.21 1hgu n LYS 70 Cb 0.49 1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 36.89 1hgu n LYS 70 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hgu s SER 71 N -2.99 4.80 0.60 4.39 0.15 -1.26 -4.98 113.70 114.41 1hgu s SER 71 Ca 0.17 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 56.84 1hgu s SER 71 Cb 0.01 -1.84 1.29 0.00 -1.71 0.00 0.00 66.02 63.77 1hgu s SER 71 CO 0.12 -0.00 1.69 0.78 1.20 0.00 0.00 173.24 177.03 1hgu h ASN 72 N 7.99 0.00 0.82 5.45 2.35 -2.01 -1.67 115.58 128.52 1hgu h ASN 72 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1hgu h ASN 72 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1hgu h ASN 72 CO 0.59 0.00 -0.45 -0.11 -1.65 0.00 0.00 177.43 175.81 1hgu n LEU 73 N -3.49 0.56 0.01 1.61 7.94 -1.26 -3.90 117.00 118.47 1hgu n LEU 73 Ca 0.13 0.22 -0.02 0.00 -1.11 0.00 0.00 56.01 55.23 1hgu n LEU 73 Cb 0.95 -0.25 -0.11 0.00 0.53 0.00 0.00 43.42 44.54 1hgu n LEU 73 CO 0.25 -0.00 -0.44 0.00 -1.11 0.00 0.00 177.39 176.08 1hgu n GLN 74 N -1.86 0.63 0.11 1.96 3.00 -0.63 -1.41 117.38 119.18 1hgu n GLN 74 Ca 0.05 0.20 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 1hgu n GLN 74 Cb 0.39 -1.77 0.35 0.00 0.00 0.00 0.00 30.24 29.21 1hgu n GLN 74 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1hgu h LEU 75 N 0.00 0.23 0.17 1.08 4.07 -1.70 1.43 115.31 120.59 1hgu h LEU 75 Ca -0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 1hgu h LEU 75 Cb 1.71 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1hgu h LEU 75 CO 0.05 0.45 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.70 1hgu h LEU 76 N 0.22 -0.19 0.51 1.67 3.38 -1.68 -1.08 115.31 118.15 1hgu h LEU 76 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1hgu h LEU 76 Cb 0.49 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1hgu h LEU 76 CO 0.03 0.21 -0.40 -0.09 0.09 0.00 0.00 178.44 178.28 1hgu h ARG 77 N -0.92 -0.87 -0.05 1.13 2.43 -0.99 0.48 114.38 115.59 1hgu h ARG 77 Ca -0.02 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1hgu h ARG 77 Cb 0.17 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1hgu h ARG 77 CO 0.04 -0.58 0.37 0.82 -1.51 0.00 0.00 179.97 179.11 1hgu h ILE 78 N -0.90 0.04 0.00 1.20 2.04 0.18 -1.78 117.51 118.29 1hgu h ILE 78 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1hgu h ILE 78 Cb 0.77 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1hgu h ILE 78 CO -0.00 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 176.95 1hgu n SER 79 N -2.97 0.00 -0.13 1.72 7.64 0.08 -4.28 113.62 115.68 1hgu n SER 79 Ca -0.01 0.12 0.17 0.00 1.01 0.00 0.00 58.87 60.16 1hgu n SER 79 Cb 0.43 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.89 1hgu n SER 79 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1hgu n LEU 80 N -0.39 0.00 -0.08 -3.43 7.94 -0.67 0.94 117.00 121.31 1hgu n LEU 80 Ca 0.00 0.45 -0.11 0.00 -1.11 0.00 0.00 56.01 55.25 1hgu n LEU 80 Cb 0.00 -0.15 -0.04 0.00 0.53 0.00 0.00 43.42 43.76 1hgu n LEU 80 CO 0.00 -0.45 0.80 -0.07 -1.11 0.00 0.00 177.39 176.56 1hgu h LEU 81 N 0.00 0.41 -2.32 -1.96 -0.00 -1.75 -1.27 115.31 108.42 1hgu h LEU 81 Ca 0.29 -0.26 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1hgu h LEU 81 Cb 1.76 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 42.31 1hgu h LEU 81 CO -0.00 0.57 0.22 -0.07 -0.00 0.00 0.00 178.44 179.16 1hgu h LEU 82 N 0.23 0.00 0.00 1.67 4.07 0.39 0.12 115.31 121.78 1hgu h LEU 82 Ca 0.08 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.59 1hgu h LEU 82 Cb 0.34 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.01 1hgu h LEU 82 CO 0.01 0.00 -2.54 0.00 -1.08 0.00 0.00 178.44 174.83 1hgu n ILE 83 N -3.19 1.52 0.08 1.22 0.13 -1.11 -4.22 119.36 113.78 1hgu n ILE 83 Ca -0.01 -0.44 0.15 0.00 -1.10 0.00 0.00 62.75 61.36 1hgu n ILE 83 Cb 0.30 -1.76 0.65 0.00 -0.84 0.00 0.00 39.64 37.99 1hgu n ILE 83 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1hgu h GLN 84 N -0.74 0.04 0.33 9.51 1.08 -1.11 -1.16 115.11 123.05 1hgu h GLN 84 Ca -0.68 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.51 1hgu h GLN 84 Cb 1.69 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1hgu h GLN 84 CO -0.34 0.03 -0.16 1.03 -0.95 0.00 0.00 178.83 178.44 1hgu h SER 85 N 0.04 -0.37 0.07 1.46 0.87 -0.97 -2.90 113.55 111.75 1hgu h SER 85 Ca 0.17 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1hgu h SER 85 Cb 0.63 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1hgu h SER 85 CO -0.01 -0.13 -0.04 -0.50 -0.53 0.00 0.00 176.83 175.62 1hgu h TRP 86 N -0.61 0.00 0.00 2.24 4.06 -1.44 0.26 115.95 120.47 1hgu h TRP 86 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1hgu h TRP 86 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1hgu h TRP 86 CO -0.01 0.04 0.00 -0.07 -3.56 0.00 0.00 178.44 174.84 1hgu h LEU 87 N 0.00 0.00 -0.21 -4.49 3.38 -1.05 0.56 115.31 113.49 1hgu h LEU 87 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1hgu h LEU 87 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1hgu h LEU 87 CO 0.01 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 178.19 1hgu h GLU 88 N 0.00 0.55 0.00 1.13 4.22 -0.85 -3.19 114.58 116.44 1hgu h GLU 88 Ca 0.00 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1hgu h GLU 88 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1hgu h GLU 88 CO 0.00 0.91 0.00 -2.30 -2.18 0.00 0.00 179.01 175.44 1hgu n PRO 89 N -4.36 0.00 -0.87 0.92 -0.02 -0.60 -4.50 135.00 125.57 1hgu n PRO 89 Ca -0.05 0.07 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1hgu n PRO 89 Cb 0.45 -0.99 -0.12 0.00 -0.02 0.00 0.00 33.50 32.82 1hgu n PRO 89 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1hgu n VAL 90 N -0.56 0.13 0.00 -1.45 0.24 0.09 -3.59 118.33 113.19 1hgu n VAL 90 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1hgu n VAL 90 Cb 0.00 -2.02 0.00 0.00 -1.47 0.00 0.00 33.84 30.35 1hgu n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hgu n GLY 91 N 5.31 -0.12 0.00 7.63 0.00 -1.26 -4.85 105.19 111.90 1hgu n GLY 91 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1hgu n GLY 91 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1hgu n PHE 92 N -2.05 0.00 -1.85 1.61 7.35 -1.24 -5.05 117.46 116.24 1hgu n PHE 92 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1hgu n PHE 92 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 1hgu n PHE 92 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1hgu s LEU 93 N -2.81 4.38 0.00 -2.13 2.96 -1.26 -4.97 118.68 114.86 1hgu s LEU 93 Ca 0.00 2.51 -0.01 0.00 -0.22 0.00 0.00 54.13 56.41 1hgu s LEU 93 Cb 0.00 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.28 1hgu s LEU 93 CO 0.00 -0.96 0.96 0.54 -1.32 0.00 0.00 176.35 175.57 1hgu n ARG 94 N 6.51 -0.14 0.15 1.98 5.12 -1.26 -4.72 116.66 124.30 1hgu n ARG 94 Ca 0.18 -2.54 0.04 0.00 -1.93 0.00 0.00 57.85 53.60 1hgu n ARG 94 Cb 0.41 -0.67 0.46 0.00 -1.16 0.00 0.00 32.46 31.51 1hgu n ARG 94 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1hgu h SER 95 N -0.62 0.18 -0.11 0.55 4.64 -1.93 -3.19 113.55 113.06 1hgu h SER 95 Ca -0.32 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1hgu h SER 95 Cb 1.15 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hgu h SER 95 CO 0.33 0.27 0.82 0.58 -0.87 0.00 0.00 176.83 177.97 1hgu h VAL 96 N 0.20 0.01 0.01 0.95 2.07 -1.96 1.36 116.25 118.89 1hgu h VAL 96 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1hgu h VAL 96 Cb 0.22 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1hgu h VAL 96 CO 0.01 0.00 -0.00 0.15 0.02 0.00 0.00 177.57 177.75 1hgu h PHE 97 N 0.00 -0.01 -1.33 1.57 3.57 -1.97 -3.43 116.94 115.34 1hgu h PHE 97 Ca 0.05 -0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.89 1hgu h PHE 97 Cb 1.70 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 40.11 1hgu h PHE 97 CO 0.00 -0.01 0.27 0.00 -2.23 0.00 0.00 178.31 176.34 1hgu n ALA 98 N -2.10 5.88 -2.18 2.41 0.00 0.26 -5.00 120.51 119.77 1hgu n ALA 98 Ca -0.00 -3.89 -0.42 0.00 0.00 0.00 0.00 53.44 49.13 1hgu n ALA 98 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1hgu n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hgu s ASN 99 N -2.32 6.84 -0.74 0.00 2.47 0.40 -4.82 114.94 116.76 1hgu s ASN 99 Ca 0.55 2.28 -0.24 0.00 0.42 0.00 0.00 52.86 55.87 1hgu s ASN 99 Cb 0.45 -2.58 0.06 0.00 -1.45 0.00 0.00 41.25 37.72 1hgu s ASN 99 CO -0.15 -0.66 1.14 -0.44 -3.72 0.00 0.00 177.10 173.27 1hgu s SER 100 N 1.24 6.23 0.17 -4.21 0.01 -1.26 -4.84 113.70 111.04 1hgu s SER 100 Ca 0.64 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.88 1hgu s SER 100 Cb -0.36 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.46 1hgu s SER 100 CO 0.30 -1.58 1.74 -0.07 0.41 0.00 0.00 173.24 174.05 1hgu h LEU 101 N 12.06 0.76 -8.68 2.44 3.38 -1.98 -3.38 115.31 119.91 1hgu h LEU 101 Ca -0.21 -0.14 -0.67 0.00 0.09 0.00 0.00 57.88 56.94 1hgu h LEU 101 Cb 1.05 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 41.41 1hgu h LEU 101 CO 1.24 0.69 -0.51 -0.69 0.09 0.00 0.00 178.44 179.25 1hgu s VAL 102 N -5.66 5.02 0.16 1.22 1.01 -1.26 -4.99 120.40 115.90 1hgu s VAL 102 Ca -0.13 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1hgu s VAL 102 Cb 0.12 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1hgu s VAL 102 CO 0.78 0.05 0.55 -0.72 0.00 0.00 0.00 175.10 175.76 1hgu s TYR 103 N 1.69 -0.41 -0.03 5.22 1.13 -1.26 -4.78 117.35 118.90 1hgu s TYR 103 Ca 0.06 0.16 -0.02 0.00 -1.41 0.00 0.00 57.07 55.85 1hgu s TYR 103 Cb -0.17 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.18 1hgu s TYR 103 CO 0.09 -0.83 0.07 0.20 -2.51 0.00 0.00 175.55 172.57 1hgu s GLY 104 N -2.78 -0.05 -1.01 5.49 0.00 -1.26 -5.02 107.32 102.69 1hgu s GLY 104 Ca 0.02 0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.75 1hgu s GLY 104 CO -0.11 0.23 1.40 0.00 0.00 0.00 0.00 173.10 174.62 1hgu s ALA 105 N 0.12 2.81 0.00 3.20 0.00 -1.26 -4.86 121.76 121.77 1hgu s ALA 105 Ca -0.01 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.61 1hgu s ALA 105 Cb -0.01 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1hgu s ALA 105 CO -0.00 -3.52 0.24 0.43 0.00 0.00 0.00 175.76 172.90 1hgu n SER 106 N 8.54 0.00 0.00 0.00 7.64 -1.26 -4.96 113.62 123.58 1hgu n SER 106 Ca 0.32 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1hgu n SER 106 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1hgu n SER 106 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1hgu n ASP 107 N -0.24 0.00 -3.61 6.43 -0.08 -1.26 -5.09 116.55 112.70 1hgu n ASP 107 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 1hgu n ASP 107 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1hgu n ASP 107 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1hgu n SER 108 N 0.00 3.38 0.00 1.67 2.88 -1.26 -4.88 113.62 115.40 1hgu n SER 108 Ca 0.00 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 1hgu n SER 108 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1hgu n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1hgu n ASP 109 N 1.31 0.00 0.00 -3.46 8.00 -1.26 -3.01 116.55 118.13 1hgu n ASP 109 Ca 0.26 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.25 1hgu n ASP 109 Cb 0.39 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1hgu n ASP 109 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1hgu n VAL 110 N -2.46 0.00 0.00 2.53 0.24 -1.26 -4.93 118.33 112.45 1hgu n VAL 110 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1hgu n VAL 110 Cb 0.00 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1hgu n VAL 110 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1hgu n TYR 111 N -0.23 0.00 0.00 6.34 4.02 -1.25 -3.62 117.16 122.42 1hgu n TYR 111 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1hgu n TYR 111 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1hgu n TYR 111 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1hgu n ASP 112 N -0.55 0.00 -0.11 7.72 9.92 -1.17 0.11 116.55 132.48 1hgu n ASP 112 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1hgu n ASP 112 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1hgu n ASP 112 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1hgu n LEU 113 N -0.20 1.54 0.22 0.64 7.94 -1.26 -2.28 117.00 123.61 1hgu n LEU 113 Ca 0.00 0.26 -0.08 0.00 -1.11 0.00 0.00 56.01 55.08 1hgu n LEU 113 Cb 0.00 -0.64 -0.04 0.00 0.53 0.00 0.00 43.42 43.27 1hgu n LEU 113 CO 0.00 0.46 0.46 -0.07 -1.11 0.00 0.00 177.39 177.13 1hgu h LEU 114 N -0.78 -0.47 -0.20 -1.96 3.38 0.75 -2.89 115.31 113.14 1hgu h LEU 114 Ca -0.56 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.48 1hgu h LEU 114 Cb 1.49 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 42.29 1hgu h LEU 114 CO -0.33 -0.31 -0.39 0.11 0.09 0.00 0.00 178.44 177.61 1hgu h LYS 115 N -0.60 -0.41 -0.57 1.13 1.79 -1.09 -2.35 116.57 114.46 1hgu h LYS 115 Ca -0.06 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.58 1hgu h LYS 115 Cb 0.42 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 1hgu h LYS 115 CO 0.09 -0.27 0.40 -0.44 -1.08 0.00 0.00 179.45 178.15 1hgu h ASP 116 N -0.42 0.16 -0.34 0.86 5.19 -1.57 -2.13 116.42 118.17 1hgu h ASP 116 Ca 0.10 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 1hgu h ASP 116 Cb 0.59 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1hgu h ASP 116 CO -0.43 0.09 -0.13 0.25 -3.12 0.00 0.00 179.24 175.90 1hgu h LEU 117 N 0.18 0.78 0.07 1.55 5.85 -1.20 0.10 115.31 122.64 1hgu h LEU 117 Ca 0.27 -0.24 -0.26 0.00 0.84 0.00 0.00 57.88 58.49 1hgu h LEU 117 Cb 0.83 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1hgu h LEU 117 CO -0.04 0.93 -1.26 1.05 -0.34 0.00 0.00 178.44 178.78 1hgu h GLU 118 N 0.71 0.15 0.66 1.25 -0.00 -1.29 -0.67 114.58 115.39 1hgu h GLU 118 Ca 0.11 -0.26 -0.03 0.00 -0.00 0.00 0.00 59.36 59.19 1hgu h GLU 118 Cb 0.62 0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.47 1hgu h GLU 118 CO 0.04 1.06 -0.33 0.93 -0.00 0.00 0.00 179.01 180.71 1hgu h GLU 119 N 0.04 -0.88 -0.35 1.06 4.39 -1.35 -0.60 114.58 116.89 1hgu h GLU 119 Ca -0.13 0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1hgu h GLU 119 Cb 1.91 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.75 1hgu h GLU 119 CO 0.16 -0.59 -0.07 0.78 -1.16 0.00 0.00 179.01 178.14 1hgu h GLY 120 N -0.91 0.62 1.00 -3.84 0.00 -0.88 -0.51 103.07 98.55 1hgu h GLY 120 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1hgu h GLY 120 CO 0.14 0.38 0.00 4.51 0.00 0.00 0.00 176.54 181.57 1hgu n ILE 121 N -4.22 0.00 -0.01 2.60 0.00 -0.26 -2.63 119.36 114.83 1hgu n ILE 121 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 62.75 62.71 1hgu n ILE 121 Cb 0.30 -0.51 -0.04 0.00 0.00 0.00 0.00 39.64 39.39 1hgu n ILE 121 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1hgu h GLN 122 N 0.00 -0.09 0.00 9.51 4.20 0.57 -3.37 115.11 125.94 1hgu h GLN 122 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1hgu h GLN 122 Cb 0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1hgu h GLN 122 CO 0.00 0.17 0.16 -2.37 -0.67 0.00 0.00 178.83 176.12 1hgu n THR 123 N -4.81 0.48 0.78 -0.54 5.66 -1.08 -1.83 114.28 112.94 1hgu n THR 123 Ca -0.04 0.28 0.08 0.00 -3.05 0.00 0.00 64.05 61.32 1hgu n THR 123 Cb 0.15 -1.28 -0.04 0.00 -1.55 0.00 0.00 70.33 67.61 1hgu n THR 123 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1hgu n LEU 124 N -1.00 1.31 -0.13 1.09 4.77 -1.26 -3.87 117.00 117.92 1hgu n LEU 124 Ca 0.00 -0.65 -0.22 0.00 -0.03 0.00 0.00 56.01 55.11 1hgu n LEU 124 Cb 0.16 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1hgu n LEU 124 CO 0.00 0.27 -1.35 1.15 -1.33 0.00 0.00 177.39 176.13 1hgu n MET 125 N -0.65 0.64 0.14 3.23 0.00 -0.76 -3.90 117.12 115.81 1hgu n MET 125 Ca 0.05 0.19 0.19 0.00 0.00 0.00 0.00 57.70 58.13 1hgu n MET 125 Cb 0.32 -1.52 0.72 0.00 0.00 0.00 0.00 33.22 32.74 1hgu n MET 125 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1hgu h GLY 126 N 1.08 0.00 -1.58 3.17 0.00 -1.79 0.26 103.07 104.21 1hgu h GLY 126 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1hgu h GLY 126 CO -0.18 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.23 1hgu n ARG 127 N -3.42 2.07 0.00 4.80 0.63 -1.25 -4.41 116.66 115.08 1hgu n ARG 127 Ca 0.06 -1.64 0.00 0.00 -0.92 0.00 0.00 57.85 55.35 1hgu n ARG 127 Cb 0.63 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.13 1hgu n ARG 127 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1hgu n LEU 128 N 0.84 0.00 0.00 6.15 4.77 0.75 -5.02 117.00 124.49 1hgu n LEU 128 Ca 0.17 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1hgu n LEU 128 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1hgu n LEU 128 CO 0.13 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.40 1hgu n GLU 129 N -0.04 0.00 -0.07 3.23 2.13 -0.21 -4.33 120.64 121.36 1hgu n GLU 129 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1hgu n GLU 129 Cb 0.01 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.69 1hgu n GLU 129 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1hgu n ASP 130 N -3.55 1.68 -0.34 4.31 8.00 -1.26 -4.21 116.55 121.18 1hgu n ASP 130 Ca 0.00 0.28 0.35 0.00 0.71 0.00 0.00 54.79 56.13 1hgu n ASP 130 Cb 0.00 -0.64 0.74 0.00 -0.02 0.00 0.00 41.12 41.20 1hgu n ASP 130 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1hgu h GLY 131 N -0.75 0.11 -5.99 0.44 0.00 -2.02 -3.25 103.07 91.60 1hgu h GLY 131 Ca -0.11 -0.02 -0.49 0.00 0.00 0.00 0.00 47.33 46.71 1hgu h GLY 131 CO -0.07 -0.02 -0.89 1.44 0.00 0.00 0.00 176.54 177.00 1hgu n SER 132 N -4.21 -1.01 0.00 0.19 7.64 -1.26 -5.12 113.62 109.84 1hgu n SER 132 Ca 0.27 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1hgu n SER 132 Cb 1.26 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 1hgu n SER 132 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1hgu n PRO 133 N 2.54 3.35 -2.40 1.43 -0.04 -1.23 -4.86 135.00 133.80 1hgu n PRO 133 Ca 0.25 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1hgu n PRO 133 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1hgu n PRO 133 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1hgu n ARG 134 N 0.00 -1.20 -2.73 0.54 0.63 -1.26 -4.93 116.66 107.70 1hgu n ARG 134 Ca 0.00 0.44 -0.42 0.00 -0.92 0.00 0.00 57.85 56.95 1hgu n ARG 134 Cb 0.00 -3.73 -0.03 0.00 0.45 0.00 0.00 32.46 29.15 1hgu n ARG 134 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1hgu s THR 135 N -3.20 4.11 0.00 5.15 -1.32 -1.26 -4.88 115.64 114.24 1hgu s THR 135 Ca 0.23 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1hgu s THR 135 Cb -0.03 -4.80 0.00 0.00 -1.51 0.00 0.00 72.50 66.16 1hgu s THR 135 CO 0.38 -1.64 0.05 0.61 -2.21 0.00 0.00 174.62 171.81 1hgu n GLY 136 N 5.47 0.00 3.30 6.08 0.00 -1.26 -4.35 105.19 114.43 1hgu n GLY 136 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1hgu n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hgu s GLN 137 N -0.20 3.32 -0.29 1.61 0.74 -1.26 -5.08 119.66 118.49 1hgu s GLN 137 Ca 0.00 -0.68 0.04 0.00 0.05 0.00 0.00 55.36 54.77 1hgu s GLN 137 Cb 0.00 -2.79 0.19 0.00 1.10 0.00 0.00 33.01 31.51 1hgu s GLN 137 CO 0.00 -0.04 0.56 0.00 -0.55 0.00 0.00 175.29 175.26 1hgu s ALA 138 N 1.02 -2.17 0.00 1.58 0.00 -1.26 -5.09 121.76 115.84 1hgu s ALA 138 Ca -0.01 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1hgu s ALA 138 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1hgu s ALA 138 CO -0.02 -1.73 0.00 0.34 0.00 0.00 0.00 175.76 174.36 1hgu n PHE 139 N 5.41 0.00 -2.71 0.00 7.35 -1.26 -5.08 117.46 121.17 1hgu n PHE 139 Ca 0.03 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.30 1hgu n PHE 139 Cb 0.53 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 1hgu n PHE 139 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1hgu s LYS 140 N -1.84 4.47 -0.03 -4.13 1.02 -1.26 -4.99 119.74 112.97 1hgu s LYS 140 Ca 0.00 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.36 1hgu s LYS 140 Cb 0.00 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1hgu s LYS 140 CO 0.00 -0.20 0.04 -0.65 -0.92 0.00 0.00 175.35 173.62 1hgu s GLN 141 N 1.60 -0.03 0.25 1.68 -1.52 -1.26 -5.17 119.66 115.20 1hgu s GLN 141 Ca 0.49 0.29 -0.06 0.00 -1.95 0.00 0.00 55.36 54.13 1hgu s GLN 141 Cb -0.19 -0.42 -0.06 0.00 -0.22 0.00 0.00 33.01 32.12 1hgu s GLN 141 CO 0.22 -0.26 0.52 -0.08 -0.25 0.00 0.00 175.29 175.44 1hgu s THR 142 N 1.69 5.02 -0.31 -0.19 -1.32 -1.26 -5.04 115.64 114.23 1hgu s THR 142 Ca -0.01 0.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.67 1hgu s THR 142 Cb -0.12 -3.68 0.04 0.00 -1.51 0.00 0.00 72.50 67.22 1hgu s THR 142 CO -0.03 -0.19 0.73 -1.22 -2.21 0.00 0.00 174.62 171.70 1hgu n TYR 143 N -0.53 0.03 -0.54 9.09 4.02 -1.26 -5.10 117.16 122.87 1hgu n TYR 143 Ca -0.01 -0.15 -0.22 0.00 -0.01 0.00 0.00 57.90 57.51 1hgu n TYR 143 Cb 0.53 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 1hgu n TYR 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hgu n ALA 144 N 0.04 -0.32 -1.00 -0.72 0.00 -1.26 -4.73 120.51 112.51 1hgu n ALA 144 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1hgu n ALA 144 Cb 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1hgu n ALA 144 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hgu n LYS 145 N 1.63 0.00 0.00 0.00 4.76 -1.26 -4.93 118.16 118.36 1hgu n LYS 145 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1hgu n LYS 145 Cb -0.02 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1hgu n LYS 145 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1hgu n PHE 146 N -0.47 -0.05 0.00 2.13 3.01 -1.26 -5.18 117.46 115.65 1hgu n PHE 146 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1hgu n PHE 146 Cb 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1hgu n PHE 146 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1hgu n ASP 147 N -2.56 0.00 -3.78 4.37 -0.08 -1.26 -5.00 116.55 108.24 1hgu n ASP 147 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1hgu n ASP 147 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 1hgu n ASP 147 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hgu s ALA 148 N -2.00 -0.11 -0.43 -1.67 0.00 -1.26 -4.92 121.76 111.37 1hgu s ALA 148 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.44 1hgu s ALA 148 Cb 0.00 -0.30 0.17 0.00 0.00 0.00 0.00 23.12 22.99 1hgu s ALA 148 CO 0.00 -0.11 0.51 0.54 0.00 0.00 0.00 175.76 176.70 1hgu s ASN 149 N 0.88 0.06 0.00 0.00 2.20 -1.26 -5.70 114.94 111.12 1hgu s ASN 149 Ca -0.07 -1.87 0.00 0.00 -0.94 0.00 0.00 52.86 49.98 1hgu s ASN 149 Cb -0.10 0.93 0.00 0.00 -2.00 0.00 0.00 41.25 40.08 1hgu s ASN 149 CO -0.03 -0.16 0.00 -1.54 -2.94 0.00 0.00 177.10 172.42 1hgu n SER 150 N 3.55 0.00 -4.30 3.54 3.41 -1.26 -4.99 113.62 113.57 1hgu n SER 150 Ca 0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.48 1hgu n SER 150 Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 1hgu n SER 150 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1hgu s HIS 151 N -1.57 2.26 0.15 7.33 -3.43 -1.26 -4.59 115.29 114.18 1hgu s HIS 151 Ca 0.00 -0.43 0.02 0.00 -0.80 0.00 0.00 55.06 53.86 1hgu s HIS 151 Cb 0.00 -1.45 -0.01 0.00 -1.43 0.00 0.00 32.58 29.69 1hgu s HIS 151 CO 0.00 -0.03 0.14 0.09 -2.00 0.00 0.00 174.74 172.95 1hgu n ASN 152 N 2.41 -0.38 -1.30 7.38 5.03 -1.26 -5.17 115.26 121.98 1hgu n ASN 152 Ca -0.16 -1.92 -0.08 0.00 0.87 0.00 0.00 54.58 53.29 1hgu n ASN 152 Cb 0.51 0.82 0.16 0.00 -1.02 0.00 0.00 39.78 40.25 1hgu n ASN 152 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1hgu n ASP 153 N -2.30 3.11 -0.03 6.41 2.03 -1.26 -4.73 116.55 119.77 1hgu n ASP 153 Ca 0.03 -3.81 -0.07 0.00 0.52 0.00 0.00 54.79 51.45 1hgu n ASP 153 Cb 0.26 -0.58 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 1hgu n ASP 153 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hgu n ASP 154 N -1.03 0.57 -0.05 1.67 2.03 -1.26 -4.64 116.55 113.83 1hgu n ASP 154 Ca 0.35 0.08 0.04 0.00 0.52 0.00 0.00 54.79 55.77 1hgu n ASP 154 Cb 0.93 -0.19 0.08 0.00 -0.72 0.00 0.00 41.12 41.22 1hgu n ASP 154 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hgu n ALA 155 N -3.27 0.14 0.02 -1.67 0.00 -1.26 0.18 120.51 114.65 1hgu n ALA 155 Ca -0.13 0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1hgu n ALA 155 Cb 0.59 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 1hgu n ALA 155 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1hgu h LEU 156 N 0.00 0.74 -0.07 0.00 -0.00 -1.82 0.10 115.31 114.26 1hgu h LEU 156 Ca 0.12 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1hgu h LEU 156 Cb 0.30 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1hgu h LEU 156 CO -0.14 1.30 0.00 0.18 -0.00 0.00 0.00 178.44 179.79 1hgu n LEU 157 N -3.86 0.06 0.24 0.17 4.77 0.48 0.93 117.00 119.78 1hgu n LEU 157 Ca -0.07 0.52 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1hgu n LEU 157 Cb 0.77 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1hgu n LEU 157 CO 0.52 -0.29 0.45 0.11 -1.33 0.00 0.00 177.39 176.85 1hgu h LYS 158 N 0.00 -0.61 -0.52 3.23 6.56 -1.01 -3.37 116.57 120.85 1hgu h LYS 158 Ca 0.00 0.04 0.10 0.00 -1.06 0.00 0.00 60.65 59.73 1hgu h LYS 158 Cb 0.24 0.14 -0.10 0.00 -0.57 0.00 0.00 32.23 31.94 1hgu h LYS 158 CO 0.00 -0.30 -0.21 -0.91 -2.06 0.00 0.00 179.45 175.96 1hgu h ASN 159 N -0.98 -0.75 -0.87 0.86 2.35 0.87 -3.05 115.58 114.02 1hgu h ASN 159 Ca -0.06 0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 1hgu h ASN 159 Cb 0.59 0.42 -0.11 0.00 0.05 0.00 0.00 38.32 39.26 1hgu h ASN 159 CO 0.11 -0.24 -0.47 0.00 -1.65 0.00 0.00 177.43 175.18 1hgu n TYR 160 N -5.41 -0.28 -0.25 1.19 4.19 0.26 -1.62 117.16 115.24 1hgu n TYR 160 Ca 0.04 1.08 -0.04 0.00 3.31 0.00 0.00 57.90 62.29 1hgu n TYR 160 Cb 0.32 -0.63 0.01 0.00 0.49 0.00 0.00 39.34 39.53 1hgu n TYR 160 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1hgu h GLY 161 N 0.00 -0.08 1.20 2.98 0.00 -1.69 0.46 103.07 105.94 1hgu h GLY 161 Ca 0.18 0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.89 1hgu h GLY 161 CO -0.83 -0.20 0.01 1.41 0.00 0.00 0.00 176.54 176.93 1hgu h LEU 162 N -0.12 0.93 -0.02 3.11 -0.00 -1.50 0.37 115.31 118.07 1hgu h LEU 162 Ca 0.26 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1hgu h LEU 162 Cb 0.56 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1hgu h LEU 162 CO -0.76 0.99 0.00 0.18 -0.00 0.00 0.00 178.44 178.85 1hgu n LEU 163 N -4.19 0.02 -0.05 1.67 7.99 0.89 -0.24 117.00 123.09 1hgu n LEU 163 Ca 0.03 0.51 -0.04 0.00 -0.01 0.00 0.00 56.01 56.49 1hgu n LEU 163 Cb 0.33 -0.50 -0.01 0.00 -0.11 0.00 0.00 43.42 43.12 1hgu n LEU 163 CO 0.43 -0.28 -0.32 0.00 -1.51 0.00 0.00 177.39 175.72 1hgu n TYR 164 N -1.52 0.47 -0.38 -1.77 4.19 0.12 -4.24 117.16 114.03 1hgu n TYR 164 Ca 0.03 0.21 0.34 0.00 3.31 0.00 0.00 57.90 61.79 1hgu n TYR 164 Cb 0.16 -0.55 0.68 0.00 0.49 0.00 0.00 39.34 40.12 1hgu n TYR 164 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1hgu n PHE 166 N -4.36 0.00 -0.05 0.00 7.35 0.67 0.11 117.46 121.19 1hgu n PHE 166 Ca 0.29 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.94 1hgu n PHE 166 Cb 1.25 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 41.06 1hgu n PHE 166 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1hgu n ARG 167 N -0.85 0.31 0.00 -4.13 0.00 0.73 -4.34 116.66 108.38 1hgu n ARG 167 Ca 0.07 0.34 0.12 0.00 -0.00 0.00 0.00 57.85 58.37 1hgu n ARG 167 Cb 0.03 -1.29 0.69 0.00 0.00 0.00 0.00 32.46 31.89 1hgu n ARG 167 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1hgu n LYS 168 N -3.80 0.69 -2.62 -0.14 4.81 0.15 -1.18 118.16 116.07 1hgu n LYS 168 Ca -0.06 0.01 -0.10 0.00 -0.87 0.00 0.00 58.31 57.29 1hgu n LYS 168 Cb 0.23 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.81 1hgu n LYS 168 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1hgu n ASP 169 N -1.03 2.39 0.00 3.14 5.68 0.30 -3.95 116.55 123.07 1hgu n ASP 169 Ca 0.17 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 1hgu n ASP 169 Cb 0.09 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1hgu n ASP 169 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1hgu n MET 170 N -0.39 0.00 0.32 0.11 1.56 -0.95 -4.65 117.12 113.13 1hgu n MET 170 Ca 0.17 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 57.75 1hgu n MET 170 Cb 0.81 -0.23 0.81 0.00 2.15 0.00 0.00 33.22 36.76 1hgu n MET 170 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1hgu h ASP 171 N 0.00 0.00 0.30 6.12 3.58 -1.41 -1.51 116.42 123.50 1hgu h ASP 171 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1hgu h ASP 171 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1hgu h ASP 171 CO 0.00 0.00 -1.90 0.29 -2.88 0.00 0.00 179.24 174.75 1hgu n LYS 172 N -2.83 0.65 0.23 0.28 5.02 -1.26 -3.01 118.16 117.25 1hgu n LYS 172 Ca -0.02 0.07 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 1hgu n LYS 172 Cb 0.35 -1.65 0.37 0.00 -0.02 0.00 0.00 35.03 34.08 1hgu n LYS 172 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hgu h VAL 173 N 0.00 0.00 0.00 -0.18 2.07 -1.54 -1.98 116.25 114.63 1hgu h VAL 173 Ca -0.28 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.30 1hgu h VAL 173 Cb 1.75 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1hgu h VAL 173 CO 0.03 0.00 -1.53 -1.84 0.02 0.00 0.00 177.57 174.25 1hgu n GLU 174 N -3.04 0.21 -0.01 1.57 0.00 -1.21 -2.68 120.64 115.48 1hgu n GLU 174 Ca 0.03 0.08 -0.13 0.00 0.00 0.00 0.00 57.16 57.14 1hgu n GLU 174 Cb 0.44 -0.97 -0.09 0.00 0.00 0.00 0.00 31.44 30.82 1hgu n GLU 174 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1hgu h THR 175 N -0.22 1.27 0.00 3.84 2.02 -1.67 1.72 112.91 119.87 1hgu h THR 175 Ca -0.23 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1hgu h THR 175 Cb 1.25 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1hgu h THR 175 CO -0.10 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.49 1hgu n PHE 176 N -4.90 0.12 0.29 3.16 3.72 -0.74 0.93 117.46 120.02 1hgu n PHE 176 Ca -0.08 0.04 0.11 0.00 -0.05 0.00 0.00 57.45 57.48 1hgu n PHE 176 Cb 0.19 -0.57 0.02 0.00 -0.94 0.00 0.00 39.48 38.18 1hgu n PHE 176 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1hgu n LEU 177 N -1.60 0.70 -0.12 4.37 4.77 -0.99 -4.11 117.00 120.01 1hgu n LEU 177 Ca 0.04 0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 1hgu n LEU 177 Cb 0.20 -0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1hgu n LEU 177 CO 0.16 -0.10 0.83 -0.09 -1.33 0.00 0.00 177.39 176.87 1hgu h ARG 178 N 0.00 0.84 -0.26 3.23 2.43 0.94 0.56 114.38 122.11 1hgu h ARG 178 Ca 0.00 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1hgu h ARG 178 Cb 0.89 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1hgu h ARG 178 CO 0.00 0.87 0.07 0.82 -1.51 0.00 0.00 179.97 180.22 1hgu h ILE 179 N 0.77 0.90 0.00 1.20 2.04 -1.05 2.49 117.51 123.87 1hgu h ILE 179 Ca 0.14 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1hgu h ILE 179 Cb 0.53 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1hgu h ILE 179 CO 0.03 0.03 -0.05 -0.37 0.00 0.00 0.00 178.15 177.79 1hgu h VAL 180 N 0.18 0.17 -0.01 1.67 -1.51 -1.43 0.47 116.25 115.79 1hgu h VAL 180 Ca 0.12 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1hgu h VAL 180 Cb 0.11 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1hgu h VAL 180 CO -0.14 0.05 -0.35 0.00 -1.23 0.00 0.00 177.57 175.90 1hgu n GLN 181 N -3.21 0.59 -2.36 5.19 10.64 0.81 -0.18 117.38 128.86 1hgu n GLN 181 Ca -0.00 -0.36 -0.32 0.00 -1.83 0.00 0.00 57.00 54.49 1hgu n GLN 181 Cb 0.28 -1.49 0.01 0.00 -0.86 0.00 0.00 30.24 28.17 1hgu n GLN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hgu n ARG 183 N -0.46 0.00 -0.10 0.00 0.63 -0.55 -4.88 116.66 111.30 1hgu n ARG 183 Ca 0.43 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.43 1hgu n ARG 183 Cb 0.49 -0.06 0.12 0.00 0.45 0.00 0.00 32.46 33.45 1hgu n ARG 183 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1hgu n SER 184 N -1.16 2.64 -3.45 6.15 7.64 0.75 -4.97 113.62 121.22 1hgu n SER 184 Ca 0.00 -1.77 -0.18 0.00 1.01 0.00 0.00 58.87 57.92 1hgu n SER 184 Cb 0.00 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 1hgu n SER 184 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1hgu s VAL 185 N -1.12 0.00 -0.18 0.44 -7.23 -1.23 -5.08 120.40 106.01 1hgu s VAL 185 Ca 0.23 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1hgu s VAL 185 Cb 0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1hgu s VAL 185 CO 0.19 0.00 0.05 -1.83 -0.31 0.00 0.00 175.10 173.20 1hgu s GLU 186 N -3.51 3.94 0.30 4.82 4.04 -1.26 -4.75 118.70 122.27 1hgu s GLU 186 Ca 0.40 -0.36 0.00 0.00 0.04 0.00 0.00 54.97 55.05 1hgu s GLU 186 Cb 0.03 -3.18 0.00 0.00 0.02 0.00 0.00 34.13 31.00 1hgu s GLU 186 CO 0.26 0.27 0.00 0.41 -1.84 0.00 0.00 175.26 174.36 1hgu n GLY 187 N 3.52 -1.99 3.44 -3.83 0.00 -1.26 -5.01 105.19 100.07 1hgu n GLY 187 Ca -0.17 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 1hgu n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hgu n SER 188 N -3.10 -5.11 0.00 1.61 7.64 -1.26 -4.77 113.62 108.63 1hgu n SER 188 Ca 0.01 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1hgu n SER 188 Cb 0.42 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1hgu n SER 188 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03