#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmo s ASN 4 N 0.00 6.22 0.00 4.38 3.84 -1.26 -4.96 114.94 123.16 2hmo s ASN 4 Ca 0.00 -0.66 0.26 0.00 0.21 0.00 0.00 52.86 52.67 2hmo s ASN 4 Cb 0.00 -2.24 1.10 0.00 -0.55 0.00 0.00 41.25 39.56 2hmo s ASN 4 CO 0.00 -0.64 1.82 2.30 -2.79 0.00 0.00 177.10 177.80 2hmo n ILE 5 N 5.51 0.23 0.09 -5.21 -5.35 -1.26 -0.65 119.36 112.73 2hmo n ILE 5 Ca -0.06 0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 2hmo n ILE 5 Cb 0.47 -0.62 0.07 0.00 -1.74 0.00 0.00 39.64 37.83 2hmo n ILE 5 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2hmo h GLN 6 N 0.00 0.16 0.01 6.28 7.50 -1.93 -3.35 115.11 123.79 2hmo h GLN 6 Ca 0.00 -0.14 -0.16 0.00 0.50 0.00 0.00 58.65 58.85 2hmo h GLN 6 Cb 0.44 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.98 2hmo h GLN 6 CO 0.00 0.82 -0.88 0.93 -1.50 0.00 0.00 178.83 178.20 2hmo h GLU 7 N 0.11 0.03 -5.34 1.46 5.08 -1.81 -3.41 114.58 110.71 2hmo h GLU 7 Ca -0.02 -0.05 -0.70 0.00 -1.00 0.00 0.00 59.36 57.59 2hmo h GLU 7 Cb 1.29 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.43 2hmo h GLU 7 CO 0.11 1.03 1.67 -0.51 -1.00 0.00 0.00 179.01 180.30 2hmo s ASP 8 N -6.67 6.89 0.60 1.42 1.01 0.18 -4.84 116.67 115.26 2hmo s ASP 8 Ca -0.25 -2.56 0.37 0.00 0.71 0.00 0.00 52.55 50.82 2hmo s ASP 8 Cb 0.03 -2.49 1.91 0.00 1.01 0.00 0.00 42.92 43.38 2hmo s ASP 8 CO 0.65 -1.01 2.20 0.11 0.21 0.00 0.00 175.17 177.33 2hmo h LYS 9 N 7.69 0.00 -0.01 8.23 1.79 -1.80 -1.78 116.57 130.70 2hmo h LYS 9 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2hmo h LYS 9 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2hmo h LYS 9 CO 1.34 0.03 -0.22 1.28 -1.08 0.00 0.00 179.45 180.79 2hmo n LEU 10 N -3.27 1.02 -4.74 2.94 4.77 -1.26 -4.92 117.00 111.54 2hmo n LEU 10 Ca -0.02 -0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.33 2hmo n LEU 10 Cb 0.17 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2hmo n LEU 10 CO 0.25 0.19 0.12 -0.69 -1.33 0.00 0.00 177.39 175.93 2hmo s VAL 11 N -2.46 5.18 0.44 4.08 1.01 -0.67 -5.07 120.40 122.92 2hmo s VAL 11 Ca 0.26 0.86 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 2hmo s VAL 11 Cb 0.19 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 2hmo s VAL 11 CO 0.50 0.39 0.92 -0.94 0.00 0.00 0.00 175.10 175.96 2hmo s SER 12 N 0.27 6.78 0.25 3.32 1.04 -1.26 -4.88 113.70 119.22 2hmo s SER 12 Ca 0.24 1.55 -0.04 0.00 0.48 0.00 0.00 55.95 58.18 2hmo s SER 12 Cb -0.15 -2.49 0.43 0.00 0.10 0.00 0.00 66.02 63.91 2hmo s SER 12 CO 0.10 -0.42 1.80 0.00 0.98 0.00 0.00 173.24 175.70 2hmo h ALA 13 N 1.58 1.19 -0.04 5.32 0.00 -1.98 -1.35 119.26 123.98 2hmo h ALA 13 Ca -0.48 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2hmo h ALA 13 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2hmo h ALA 13 CO 0.62 0.05 -0.03 1.25 0.00 0.00 0.00 179.25 181.14 2hmo h HIS 14 N 0.74 -0.06 -0.77 0.00 -0.00 -2.00 -1.39 115.15 111.67 2hmo h HIS 14 Ca 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.76 2hmo h HIS 14 Cb 0.43 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 2hmo h HIS 14 CO -0.07 -0.04 0.39 -0.44 -0.00 0.00 0.00 177.93 177.76 2hmo h ASP 15 N -0.03 0.98 -0.87 3.26 3.32 -1.83 -1.90 116.42 119.35 2hmo h ASP 15 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2hmo h ASP 15 Cb 0.07 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 2hmo h ASP 15 CO -0.06 0.82 0.43 0.00 -1.72 0.00 0.00 179.24 178.71 2hmo h ALA 16 N 1.34 1.12 -0.51 3.45 0.00 -0.96 -1.82 119.26 121.88 2hmo h ALA 16 Ca 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2hmo h ALA 16 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2hmo h ALA 16 CO -0.04 0.67 0.14 0.93 0.00 0.00 0.00 179.25 180.94 2hmo h GLU 17 N 1.23 0.81 -0.52 0.00 5.08 -0.81 -2.75 114.58 117.62 2hmo h GLU 17 Ca 0.30 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2hmo h GLU 17 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2hmo h GLU 17 CO -0.04 0.77 -0.03 0.93 -1.00 0.00 0.00 179.01 179.63 2hmo h GLU 18 N 0.70 0.91 -0.19 2.33 4.39 -1.15 -2.96 114.58 118.60 2hmo h GLU 18 Ca 0.16 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.62 2hmo h GLU 18 Cb 0.31 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 2hmo h GLU 18 CO -0.00 0.92 -0.09 0.82 -1.16 0.00 0.00 179.01 179.50 2hmo h ILE 19 N 0.83 0.71 -0.57 3.13 1.08 -1.21 -2.81 117.51 118.67 2hmo h ILE 19 Ca 0.15 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.76 2hmo h ILE 19 Cb 0.54 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2hmo h ILE 19 CO 0.03 0.00 0.40 0.25 -0.69 0.00 0.00 178.15 178.14 2hmo h LEU 20 N -0.07 0.13 -1.31 1.44 5.85 -1.32 -1.55 115.31 118.48 2hmo h LEU 20 Ca 0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2hmo h LEU 20 Cb 0.22 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2hmo h LEU 20 CO -0.23 0.07 0.29 -0.09 -0.34 0.00 0.00 178.44 178.14 2hmo h ARG 21 N 0.15 0.76 0.00 1.25 2.43 -1.44 -3.10 114.38 114.44 2hmo h ARG 21 Ca 0.27 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2hmo h ARG 21 Cb 0.88 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2hmo h ARG 21 CO -0.04 0.57 -1.59 1.19 -1.51 0.00 0.00 179.97 178.60 2hmo n PHE 22 N -4.39 0.00 0.06 2.20 3.72 -0.62 -4.34 117.46 114.10 2hmo n PHE 22 Ca 0.05 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 2hmo n PHE 22 Cb 0.11 -0.31 0.03 0.00 -0.94 0.00 0.00 39.48 38.36 2hmo n PHE 22 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2hmo h PHE 23 N 0.00 0.48 0.00 1.38 -1.00 -1.39 -3.43 116.94 112.98 2hmo h PHE 23 Ca 0.00 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.56 2hmo h PHE 23 Cb 0.74 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.23 2hmo h PHE 23 CO 0.00 0.98 0.00 0.09 -1.61 0.00 0.00 178.31 177.77 2hmo n ASN 24 N -3.81 0.00 -4.48 2.17 5.03 -1.22 -4.74 115.26 108.21 2hmo n ASN 24 Ca -0.04 0.00 -0.53 0.00 0.87 0.00 0.00 54.58 54.88 2hmo n ASN 24 Cb 0.72 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.40 2hmo n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2hmo s HIS 26 N 6.22 3.39 -0.31 0.00 2.46 -1.26 -4.93 115.29 120.85 2hmo s HIS 26 Ca 1.08 0.62 0.04 0.00 0.47 0.00 0.00 55.06 57.27 2hmo s HIS 26 Cb -0.98 -2.51 0.08 0.00 -0.13 0.00 0.00 32.58 29.04 2hmo s HIS 26 CO 0.55 0.02 -0.01 0.34 -2.47 0.00 0.00 174.74 173.16 2hmo s ASP 27 N 0.99 4.64 0.36 9.88 -1.08 -1.26 -5.00 116.67 125.20 2hmo s ASP 27 Ca 0.19 -1.86 0.07 0.00 -0.52 0.00 0.00 52.55 50.43 2hmo s ASP 27 Cb -0.15 -1.60 0.76 0.00 -1.46 0.00 0.00 42.92 40.48 2hmo s ASP 27 CO 0.08 -0.31 1.94 0.28 0.52 0.00 0.00 175.17 177.68 2hmo h SER 28 N 7.67 0.66 -0.32 -0.34 0.02 -1.96 -2.15 113.55 117.12 2hmo h SER 28 Ca -0.10 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2hmo h SER 28 Cb 1.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2hmo h SER 28 CO 0.50 0.40 -0.13 0.00 -1.14 0.00 0.00 176.83 176.46 2hmo h ALA 29 N 1.60 0.98 -0.22 3.77 0.00 -2.00 -2.01 119.26 121.39 2hmo h ALA 29 Ca 0.34 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2hmo h ALA 29 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hmo h ALA 29 CO -0.12 0.60 -0.30 1.25 0.00 0.00 0.00 179.25 180.67 2hmo h LEU 30 N 0.68 0.46 -0.46 0.00 5.85 -1.79 -1.26 115.31 118.79 2hmo h LEU 30 Ca 0.11 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2hmo h LEU 30 Cb 0.61 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2hmo h LEU 30 CO 0.04 0.74 -0.05 1.56 -0.34 0.00 0.00 178.44 180.39 2hmo h GLN 31 N 0.39 0.84 -0.16 1.25 1.08 -1.10 -1.12 115.11 116.30 2hmo h GLN 31 Ca 0.05 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2hmo h GLN 31 Cb 0.73 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2hmo h GLN 31 CO 0.06 0.92 0.07 1.96 -0.95 0.00 0.00 178.83 180.89 2hmo h GLN 32 N 0.69 0.23 -0.47 1.46 7.50 -1.18 -0.64 115.11 122.70 2hmo h GLN 32 Ca 0.12 -0.04 0.06 0.00 0.50 0.00 0.00 58.65 59.30 2hmo h GLN 32 Cb 0.58 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.01 2hmo h GLN 32 CO 0.03 0.28 0.15 1.49 -1.50 0.00 0.00 178.83 179.29 2hmo h GLU 33 N 0.12 0.31 -0.91 1.46 4.81 -1.16 -1.66 114.58 117.55 2hmo h GLU 33 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2hmo h GLU 33 Cb 0.13 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 2hmo h GLU 33 CO -0.01 0.20 0.52 0.00 -0.73 0.00 0.00 179.01 179.00 2hmo h ALA 34 N 1.32 1.16 -0.56 2.92 0.00 -1.02 -1.07 119.26 122.02 2hmo h ALA 34 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2hmo h ALA 34 Cb 0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2hmo h ALA 34 CO -0.24 0.65 0.30 1.15 0.00 0.00 0.00 179.25 181.11 2hmo h THR 35 N 1.27 1.19 -0.29 0.00 2.02 -0.59 -1.56 112.91 114.95 2hmo h THR 35 Ca 0.32 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.02 2hmo h THR 35 Cb -0.01 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2hmo h THR 35 CO -0.06 0.21 0.16 0.74 0.37 0.00 0.00 175.52 176.95 2hmo h THR 36 N 0.75 1.02 -0.31 3.16 2.02 -0.89 0.22 112.91 118.88 2hmo h THR 36 Ca 0.20 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.30 2hmo h THR 36 Cb 0.07 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2hmo h THR 36 CO -0.03 0.06 0.08 0.25 0.37 0.00 0.00 175.52 176.25 2hmo h LEU 37 N 0.34 0.06 -0.31 2.58 5.85 -0.96 0.18 115.31 123.05 2hmo h LEU 37 Ca 0.12 0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.68 2hmo h LEU 37 Cb 0.01 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2hmo h LEU 37 CO -0.06 0.07 -0.71 -0.07 -0.34 0.00 0.00 178.44 177.33 2hmo h LEU 38 N 0.20 0.73 -0.52 2.25 3.38 -1.11 -1.79 115.31 118.44 2hmo h LEU 38 Ca 0.14 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2hmo h LEU 38 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2hmo h LEU 38 CO -0.17 1.22 0.17 0.74 0.09 0.00 0.00 178.44 180.49 2hmo h THR 39 N 0.44 1.23 -0.47 0.22 2.02 -0.69 -0.68 112.91 114.98 2hmo h THR 39 Ca -0.03 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 2hmo h THR 39 Cb 1.30 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2hmo h THR 39 CO 0.14 0.29 0.04 1.56 0.37 0.00 0.00 175.52 177.91 2hmo h GLN 40 N 0.72 0.81 -0.37 6.66 4.20 -0.95 -1.13 115.11 125.05 2hmo h GLN 40 Ca 0.17 -0.24 0.06 0.00 0.06 0.00 0.00 58.65 58.70 2hmo h GLN 40 Cb 0.27 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 2hmo h GLN 40 CO -0.01 0.84 0.06 1.49 -0.67 0.00 0.00 178.83 180.55 2hmo h GLU 41 N 0.67 0.18 -0.46 1.46 4.81 -1.21 -1.66 114.58 118.37 2hmo h GLU 41 Ca 0.14 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2hmo h GLU 41 Cb 0.45 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2hmo h GLU 41 CO 0.02 0.12 -0.03 0.00 -0.73 0.00 0.00 179.01 178.38 2hmo h ALA 42 N 1.29 1.08 -0.01 2.92 0.00 -0.94 -1.88 119.26 121.72 2hmo h ALA 42 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2hmo h ALA 42 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hmo h ALA 42 CO -0.24 0.57 0.01 1.25 0.00 0.00 0.00 179.25 180.83 2hmo h HIS 43 N 0.71 0.02 -0.53 0.00 -0.00 -0.87 0.99 115.15 115.48 2hmo h HIS 43 Ca 0.13 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.54 2hmo h HIS 43 Cb 0.49 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 2hmo h HIS 43 CO 0.02 0.11 0.28 -0.07 -0.00 0.00 0.00 177.93 178.27 2hmo h LEU 44 N -0.08 0.42 -0.53 0.26 3.38 -1.10 -1.97 115.31 115.70 2hmo h LEU 44 Ca 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2hmo h LEU 44 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2hmo h LEU 44 CO -0.00 0.29 0.16 -0.07 0.09 0.00 0.00 178.44 178.91 2hmo h LEU 45 N 0.55 0.78 -1.52 1.67 3.38 -1.23 -0.86 115.31 118.09 2hmo h LEU 45 Ca 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2hmo h LEU 45 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2hmo h LEU 45 CO -0.14 0.79 -0.10 0.44 0.09 0.00 0.00 178.44 179.51 2hmo h ASP 46 N 0.73 0.17 -0.18 -0.43 3.32 -0.28 -0.98 116.42 118.77 2hmo h ASP 46 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2hmo h ASP 46 Cb 0.29 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2hmo h ASP 46 CO -0.00 0.30 0.00 2.30 -1.72 0.00 0.00 179.24 180.12 2hmo n ILE 47 N -4.32 0.23 -2.37 0.35 -5.35 -0.79 -4.27 119.36 102.83 2hmo n ILE 47 Ca -0.01 -0.40 -0.16 0.00 -0.27 0.00 0.00 62.75 61.91 2hmo n ILE 47 Cb 0.23 0.50 -0.00 0.00 -1.74 0.00 0.00 39.64 38.63 2hmo n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hmo n GLN 48 N 0.50 -1.60 -1.71 6.28 6.02 -0.37 -4.92 117.38 121.58 2hmo n GLN 48 Ca 0.17 0.74 -0.41 0.00 -0.01 0.00 0.00 57.00 57.49 2hmo n GLN 48 Cb 0.38 -5.11 -0.01 0.00 1.02 0.00 0.00 30.24 26.52 2hmo n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hmo n ALA 49 N -1.96 6.48 -0.06 -1.58 0.00 -0.36 -4.75 120.51 118.28 2hmo n ALA 49 Ca -0.17 -3.85 -0.03 0.00 0.00 0.00 0.00 53.44 49.39 2hmo n ALA 49 Cb 0.63 -3.27 0.21 0.00 0.00 0.00 0.00 19.45 17.02 2hmo n ALA 49 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2hmo h TYR 50 N 5.36 0.71 -0.49 0.00 0.05 -1.91 0.53 116.97 121.22 2hmo h TYR 50 Ca 0.68 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 59.28 2hmo h TYR 50 Cb 0.45 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2hmo h TYR 50 CO 1.61 0.70 -0.02 0.00 -1.05 0.00 0.00 178.16 179.40 2hmo h ARG 51 N 0.63 0.88 -0.53 4.88 3.08 -1.95 -1.94 114.38 119.43 2hmo h ARG 51 Ca 0.12 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 2hmo h ARG 51 Cb 0.44 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2hmo h ARG 51 CO 0.02 0.93 0.13 0.00 -1.07 0.00 0.00 179.97 179.97 2hmo h ALA 52 N 0.93 1.22 -0.14 0.04 0.00 -1.86 -1.22 119.26 118.23 2hmo h ALA 52 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hmo h ALA 52 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2hmo h ALA 52 CO 0.03 0.54 0.08 2.35 0.00 0.00 0.00 179.25 182.24 2hmo h TRP 53 N 0.79 0.19 -0.48 0.00 7.01 -0.67 0.62 115.95 123.41 2hmo h TRP 53 Ca 0.17 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.19 2hmo h TRP 53 Cb 0.29 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 2hmo h TRP 53 CO 0.02 0.19 0.29 -0.07 -2.79 0.00 0.00 178.44 176.07 2hmo h LEU 54 N 0.14 0.46 -0.42 0.65 3.38 -1.05 0.17 115.31 118.64 2hmo h LEU 54 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2hmo h LEU 54 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2hmo h LEU 54 CO -0.01 0.33 0.02 -0.33 0.09 0.00 0.00 178.44 178.54 2hmo h GLU 55 N 0.57 0.73 0.00 1.13 5.08 -0.97 -3.04 114.58 118.08 2hmo h GLU 55 Ca 0.19 -0.22 -0.24 0.00 -1.00 0.00 0.00 59.36 58.09 2hmo h GLU 55 Cb 0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2hmo h GLU 55 CO -0.08 0.80 -2.06 1.58 -1.00 0.00 0.00 179.01 178.24 2hmo n HIS 56 N -4.44 0.27 0.04 4.33 -0.00 0.19 -4.66 115.22 110.94 2hmo n HIS 56 Ca -0.00 0.09 0.03 0.00 0.46 0.00 0.00 57.72 58.30 2hmo n HIS 56 Cb 0.28 -0.92 -0.04 0.00 -0.12 0.00 0.00 29.99 29.19 2hmo n HIS 56 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hmo s VAL 58 N -2.25 2.40 0.53 0.00 1.01 -1.15 0.29 120.40 121.23 2hmo s VAL 58 Ca -0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 2hmo s VAL 58 Cb 0.04 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 2hmo s VAL 58 CO 0.24 0.52 1.03 -0.83 0.00 0.00 0.00 175.10 176.06 2hmo s GLY 59 N 1.01 2.26 0.48 4.51 0.00 0.37 -4.77 107.32 111.18 2hmo s GLY 59 Ca -0.02 0.42 0.15 0.00 0.00 0.00 0.00 44.72 45.27 2hmo s GLY 59 CO -0.04 0.72 2.07 1.48 0.00 0.00 0.00 173.10 177.33 2hmo h SER 60 N 1.04 0.01 -0.41 1.64 4.64 -1.95 -2.25 113.55 116.26 2hmo h SER 60 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2hmo h SER 60 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2hmo h SER 60 CO 0.59 0.09 0.00 -1.84 -0.87 0.00 0.00 176.83 174.80 2hmo n GLU 61 N -4.44 2.95 -1.75 4.77 0.00 -1.26 -4.36 120.64 116.55 2hmo n GLU 61 Ca -0.03 -1.88 -0.39 0.00 0.00 0.00 0.00 57.16 54.86 2hmo n GLU 61 Cb 0.16 -1.75 0.03 0.00 0.00 0.00 0.00 31.44 29.89 2hmo n GLU 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2hmo n VAL 62 N 0.58 3.46 -4.12 3.84 3.14 -0.85 -4.88 118.33 119.51 2hmo n VAL 62 Ca 0.17 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.72 2hmo n VAL 62 Cb 0.68 -1.73 -0.16 0.00 -1.06 0.00 0.00 33.84 31.57 2hmo n VAL 62 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2hmo s GLN 63 N -2.73 3.04 -0.32 1.45 0.74 -0.58 -4.09 119.66 117.18 2hmo s GLN 63 Ca 0.68 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 55.28 2hmo s GLN 63 Cb -0.43 -2.62 0.07 0.00 1.10 0.00 0.00 33.01 31.13 2hmo s GLN 63 CO 0.52 -0.20 0.03 -0.47 -0.55 0.00 0.00 175.29 174.62 2hmo s TYR 64 N 1.29 3.38 -0.05 1.67 6.14 -0.25 -1.18 117.35 128.35 2hmo s TYR 64 Ca 0.05 -2.16 0.02 0.00 0.64 0.00 0.00 57.07 55.62 2hmo s TYR 64 Cb -0.13 -2.37 0.02 0.00 0.42 0.00 0.00 41.96 39.89 2hmo s TYR 64 CO -0.11 -0.86 -0.07 -1.14 0.64 0.00 0.00 175.55 174.00 2hmo s GLN 65 N 1.17 1.16 -0.11 4.97 0.74 -0.08 -0.71 119.66 126.80 2hmo s GLN 65 Ca -0.02 -0.22 -0.00 0.00 0.05 0.00 0.00 55.36 55.17 2hmo s GLN 65 Cb -0.20 -1.04 0.02 0.00 1.10 0.00 0.00 33.01 32.89 2hmo s GLN 65 CO -0.03 -0.03 -0.09 0.08 -0.55 0.00 0.00 175.29 174.67 2hmo s VAL 66 N 0.79 1.08 0.21 1.34 1.01 -0.38 -1.10 120.40 123.35 2hmo s VAL 66 Ca -0.13 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2hmo s VAL 66 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2hmo s VAL 66 CO 0.02 0.37 0.11 0.27 0.00 0.00 0.00 175.10 175.87 2hmo s ILE 67 N 1.59 4.18 -0.17 2.22 -4.36 0.50 -0.62 121.20 124.53 2hmo s ILE 67 Ca 0.03 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2hmo s ILE 67 Cb -0.13 -3.18 0.03 0.00 1.25 0.00 0.00 42.46 40.42 2hmo s ILE 67 CO -0.07 -0.23 -0.15 -0.55 0.24 0.00 0.00 174.94 174.18 2hmo s SER 68 N -3.40 2.97 -0.15 4.36 0.15 -0.42 -0.99 113.70 116.23 2hmo s SER 68 Ca 0.31 -0.62 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 2hmo s SER 68 Cb -0.09 -1.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.89 2hmo s SER 68 CO 0.22 -0.06 0.29 -0.60 1.20 0.00 0.00 173.24 174.29 2hmo s ARG 69 N 1.40 4.19 0.39 5.44 3.52 -1.26 -1.48 118.95 131.15 2hmo s ARG 69 Ca 0.04 0.09 -0.27 0.00 -0.13 0.00 0.00 55.73 55.45 2hmo s ARG 69 Cb -0.14 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 2hmo s ARG 69 CO -0.11 0.30 1.42 -2.00 -0.81 0.00 0.00 175.30 174.10 2hmo s GLU 70 N 0.30 4.03 -0.22 5.12 2.12 -0.43 -4.94 118.70 124.67 2hmo s GLU 70 Ca 0.16 2.42 -0.29 0.00 0.36 0.00 0.00 54.97 57.63 2hmo s GLU 70 Cb -0.13 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2hmo s GLU 70 CO 0.04 -0.54 1.30 -0.51 -0.54 0.00 0.00 175.26 175.01 2hmo s LEU 71 N -2.24 4.04 0.25 2.70 1.43 -1.26 -5.01 118.68 118.59 2hmo s LEU 71 Ca 0.55 1.48 0.08 0.00 -1.03 0.00 0.00 54.13 55.21 2hmo s LEU 71 Cb -0.44 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 2hmo s LEU 71 CO 0.58 -0.92 -0.11 -0.13 0.23 0.00 0.00 176.35 176.00 2hmo s ARG 72 N 3.84 1.49 0.34 1.70 1.81 -1.26 -5.12 118.95 121.75 2hmo s ARG 72 Ca 0.56 -1.71 -0.28 0.00 -1.72 0.00 0.00 55.73 52.58 2hmo s ARG 72 Cb -0.20 -1.24 -0.10 0.00 -0.45 0.00 0.00 34.95 32.96 2hmo s ARG 72 CO 0.19 0.14 1.28 0.00 -0.68 0.00 0.00 175.30 176.22 2hmo s ALA 73 N -2.91 3.44 0.49 2.13 0.00 -1.26 -4.90 121.76 118.75 2hmo s ALA 73 Ca 0.27 1.20 0.18 0.00 0.00 0.00 0.00 51.96 53.61 2hmo s ALA 73 Cb 0.01 -3.46 1.25 0.00 0.00 0.00 0.00 23.12 20.92 2hmo s ALA 73 CO 0.10 -0.60 2.09 0.00 0.00 0.00 0.00 175.76 177.35 2hmo h ALA 74 N 3.31 1.74 -0.01 0.00 0.00 -2.04 -1.19 119.26 121.07 2hmo h ALA 74 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2hmo h ALA 74 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2hmo h ALA 74 CO 0.65 0.11 -0.08 -1.13 0.00 0.00 0.00 179.25 178.81 2hmo n SER 75 N -4.28 1.13 -4.73 0.00 3.41 -1.26 -4.96 113.62 102.94 2hmo n SER 75 Ca -0.03 -1.20 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 2hmo n SER 75 Cb 0.17 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 2hmo n SER 75 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2hmo s GLU 76 N -2.18 4.12 0.00 4.33 2.56 -0.45 -4.88 118.70 122.20 2hmo s GLU 76 Ca 0.35 2.61 0.00 0.00 0.00 0.00 0.00 54.97 57.92 2hmo s GLU 76 Cb 0.21 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 33.29 2hmo s GLU 76 CO 0.40 -0.71 0.02 2.89 -0.56 0.00 0.00 175.26 177.30 2hmo n ARG 77 N 3.14 0.00 -0.07 4.30 -4.01 -1.26 -4.94 116.66 113.82 2hmo n ARG 77 Ca 0.12 -0.02 -0.12 0.00 -1.04 0.00 0.00 57.85 56.80 2hmo n ARG 77 Cb 0.36 -0.42 -0.06 0.00 -3.04 0.00 0.00 32.46 29.30 2hmo n ARG 77 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2hmo n ARG 78 N 0.00 0.33 -2.21 2.89 1.74 -1.26 -4.98 116.66 113.17 2hmo n ARG 78 Ca 0.00 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 2hmo n ARG 78 Cb 0.26 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2hmo n ARG 78 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2hmo s TYR 79 N -2.27 2.58 -0.07 -1.55 5.04 -1.26 -4.90 117.35 114.92 2hmo s TYR 79 Ca -0.19 0.68 0.01 0.00 -2.44 0.00 0.00 57.07 55.12 2hmo s TYR 79 Cb 0.06 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.68 2hmo s TYR 79 CO 0.30 -2.66 0.48 1.17 -1.34 0.00 0.00 175.55 173.50 2hmo n LYS 80 N 6.26 -0.34 -1.69 4.97 3.00 -1.26 -5.06 118.16 124.04 2hmo n LYS 80 Ca 0.15 -0.49 -0.30 0.00 -0.00 0.00 0.00 58.31 57.66 2hmo n LYS 80 Cb 0.44 -0.97 0.06 0.00 0.00 0.00 0.00 35.03 34.55 2hmo n LYS 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2hmo s LEU 81 N -0.20 2.90 -0.26 3.14 1.43 -1.26 -4.82 118.68 119.62 2hmo s LEU 81 Ca 0.01 1.35 -0.24 0.00 -1.03 0.00 0.00 54.13 54.22 2hmo s LEU 81 Cb 0.00 -4.14 -0.10 0.00 0.03 0.00 0.00 46.19 41.98 2hmo s LEU 81 CO 0.01 -1.52 0.87 0.59 0.23 0.00 0.00 176.35 176.52 2hmo n ASN 82 N -3.15 0.58 0.11 2.29 5.03 -1.26 -4.83 115.26 114.03 2hmo n ASN 82 Ca 0.07 0.57 -0.03 0.00 0.87 0.00 0.00 54.58 56.06 2hmo n ASN 82 Cb 0.55 -0.45 0.02 0.00 -1.02 0.00 0.00 39.78 38.88 2hmo n ASN 82 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2hmo h GLU 83 N 2.90 0.00 -4.16 3.52 5.08 -1.97 -3.47 114.58 116.47 2hmo h GLU 83 Ca -0.20 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 2hmo h GLU 83 Cb 0.71 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.80 2hmo h GLU 83 CO 0.51 0.75 -0.65 0.00 -1.00 0.00 0.00 179.01 178.62 2hmo s ALA 84 N -3.04 0.39 0.28 3.43 0.00 -1.26 -1.31 121.76 120.25 2hmo s ALA 84 Ca 0.01 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.00 2hmo s ALA 84 Cb 0.10 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 2hmo s ALA 84 CO 0.78 -0.35 -0.08 0.00 0.00 0.00 0.00 175.76 176.11 2hmo s MET 85 N -3.58 2.04 -0.47 0.00 0.23 -0.55 -4.97 119.30 112.01 2hmo s MET 85 Ca 0.04 -1.59 -0.17 0.00 -1.03 0.00 0.00 55.69 52.94 2hmo s MET 85 Cb 0.05 -1.99 0.05 0.00 -1.53 0.00 0.00 34.83 31.42 2hmo s MET 85 CO -0.09 0.33 0.45 -0.80 -2.03 0.00 0.00 175.02 172.88 2hmo s ASN 86 N -3.62 6.17 0.13 -1.18 0.01 -1.26 -1.30 114.94 113.89 2hmo s ASN 86 Ca 0.31 -1.07 -0.17 0.00 -0.71 0.00 0.00 52.86 51.22 2hmo s ASN 86 Cb -0.05 -2.21 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 2hmo s ASN 86 CO 0.18 -0.67 1.68 0.58 -1.51 0.00 0.00 177.10 177.36 2hmo h VAL 87 N 5.76 1.18 -4.17 1.60 2.07 -1.19 -3.43 116.25 118.07 2hmo h VAL 87 Ca -0.28 -0.53 -0.47 0.00 0.82 0.00 0.00 66.70 66.24 2hmo h VAL 87 Cb 1.11 0.87 -0.28 0.00 -1.52 0.00 0.00 31.29 31.46 2hmo h VAL 87 CO 0.87 0.19 -0.81 -0.31 0.02 0.00 0.00 177.57 177.53 2hmo s TYR 88 N -5.62 1.23 -0.48 1.57 2.02 -0.93 -4.94 117.35 110.20 2hmo s TYR 88 Ca -0.13 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 2hmo s TYR 88 Cb 0.10 -0.78 0.20 0.00 -0.40 0.00 0.00 41.96 41.08 2hmo s TYR 88 CO 0.74 -0.01 0.68 -1.71 -1.57 0.00 0.00 175.55 173.68 2hmo n ASN 89 N 2.60 -2.55 -4.60 2.29 5.15 -1.18 -1.25 115.26 115.74 2hmo n ASN 89 Ca -0.15 -2.89 -0.34 0.00 -0.60 0.00 0.00 54.58 50.60 2hmo n ASN 89 Cb 0.55 1.19 -0.11 0.00 -0.53 0.00 0.00 39.78 40.88 2hmo n ASN 89 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hmo s GLU 90 N 0.53 3.03 0.80 1.20 0.41 0.11 -4.89 118.70 119.90 2hmo s GLU 90 Ca 0.31 -0.50 -0.06 0.00 -0.41 0.00 0.00 54.97 54.32 2hmo s GLU 90 Cb 0.07 -2.73 0.15 0.00 -1.78 0.00 0.00 34.13 29.84 2hmo s GLU 90 CO -0.13 0.58 1.10 0.54 -0.49 0.00 0.00 175.26 176.87 2hmo s ASN 91 N -0.57 3.96 0.23 -0.19 2.20 -1.26 -1.09 114.94 118.22 2hmo s ASN 91 Ca 0.09 -0.12 -0.07 0.00 -0.94 0.00 0.00 52.86 51.82 2hmo s ASN 91 Cb -0.12 -0.16 0.31 0.00 -2.00 0.00 0.00 41.25 39.28 2hmo s ASN 91 CO 0.02 -2.14 1.82 0.15 -2.94 0.00 0.00 177.10 174.01 2hmo h PHE 92 N -0.90 0.79 -0.47 1.54 3.04 -1.76 -0.85 116.94 118.34 2hmo h PHE 92 Ca -0.39 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.51 2hmo h PHE 92 Cb 1.26 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.50 2hmo h PHE 92 CO -0.49 0.37 0.01 0.37 -2.02 0.00 0.00 178.31 176.55 2hmo h GLN 93 N 0.77 0.77 -0.36 1.11 5.75 -1.95 0.44 115.11 121.64 2hmo h GLN 93 Ca 0.34 -0.20 -0.16 0.00 -0.15 0.00 0.00 58.65 58.48 2hmo h GLN 93 Cb 0.23 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2hmo h GLN 93 CO -0.20 0.77 -0.41 1.96 -2.65 0.00 0.00 178.83 178.30 2hmo h GLN 94 N 0.72 0.90 -0.85 1.69 4.20 -1.78 -1.35 115.11 118.64 2hmo h GLN 94 Ca 0.14 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.38 2hmo h GLN 94 Cb 0.43 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 2hmo h GLN 94 CO 0.02 1.13 0.56 -0.07 -0.67 0.00 0.00 178.83 179.80 2hmo h LEU 95 N 0.73 0.95 -0.78 1.46 3.38 -0.91 -2.18 115.31 117.97 2hmo h LEU 95 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2hmo h LEU 95 Cb 1.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2hmo h LEU 95 CO 0.10 0.68 0.36 0.50 0.09 0.00 0.00 178.44 180.16 2hmo h LYS 96 N 1.12 1.14 -0.31 1.13 3.64 -0.59 0.26 116.57 122.96 2hmo h LYS 96 Ca 0.32 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2hmo h LYS 96 Cb -0.09 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.48 2hmo h LYS 96 CO -0.08 0.90 0.04 0.28 -2.27 0.00 0.00 179.45 178.31 2hmo h VAL 97 N 1.11 0.82 -0.59 2.00 2.07 -1.00 -0.40 116.25 120.26 2hmo h VAL 97 Ca 0.27 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2hmo h VAL 97 Cb 0.15 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2hmo h VAL 97 CO -0.03 0.03 0.26 0.03 0.02 0.00 0.00 177.57 177.88 2hmo h ARG 98 N 0.14 0.83 -0.34 1.57 3.08 -0.72 -0.49 114.38 118.44 2hmo h ARG 98 Ca 0.15 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 2hmo h ARG 98 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2hmo h ARG 98 CO -0.22 0.66 -0.13 0.28 -1.07 0.00 0.00 179.97 179.49 2hmo h VAL 99 N 0.83 1.28 -0.80 2.04 2.07 -0.49 -1.50 116.25 119.68 2hmo h VAL 99 Ca 0.20 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2hmo h VAL 99 Cb 0.11 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2hmo h VAL 99 CO -0.02 0.40 0.42 -0.33 0.02 0.00 0.00 177.57 178.06 2hmo h GLU 100 N 0.47 1.11 -0.78 1.57 4.39 -0.66 -1.48 114.58 119.20 2hmo h GLU 100 Ca 0.08 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2hmo h GLU 100 Cb 0.65 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2hmo h GLU 100 CO 0.04 0.82 0.47 1.25 -1.16 0.00 0.00 179.01 180.44 2hmo h HIS 101 N 1.12 1.04 -0.74 4.33 2.76 -0.86 -1.02 115.15 121.77 2hmo h HIS 101 Ca 0.28 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2hmo h HIS 101 Cb 0.05 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.63 2hmo h HIS 101 CO 0.01 0.70 0.30 1.96 -1.30 0.00 0.00 177.93 179.60 2hmo h GLN 102 N 1.08 1.09 -0.00 5.26 1.08 -0.49 -3.20 115.11 119.93 2hmo h GLN 102 Ca 0.28 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2hmo h GLN 102 Cb -0.03 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 2hmo h GLN 102 CO -0.05 0.88 -0.37 1.28 -0.95 0.00 0.00 178.83 179.62 2hmo n LEU 103 N -4.29 0.54 -4.72 1.46 4.32 -0.63 -4.91 117.00 108.77 2hmo n LEU 103 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.64 2hmo n LEU 103 Cb 0.18 -0.25 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 2hmo n LEU 103 CO 0.40 0.12 1.19 -0.62 -1.22 0.00 0.00 177.39 177.26 2hmo s ASP 104 N -2.87 6.63 0.00 -1.43 -1.08 -0.43 -4.89 116.67 112.60 2hmo s ASP 104 Ca 0.15 2.59 0.14 0.00 -0.52 0.00 0.00 52.55 54.91 2hmo s ASP 104 Cb 0.18 -2.60 0.66 0.00 -1.46 0.00 0.00 42.92 39.71 2hmo s ASP 104 CO 0.63 -0.78 1.44 -0.81 0.52 0.00 0.00 175.17 176.16 2hmo n PRO 105 N 3.73 0.08 -0.56 4.34 -0.04 -1.26 -1.44 135.00 139.85 2hmo n PRO 105 Ca 0.12 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 2hmo n PRO 105 Cb 0.39 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.69 2hmo n PRO 105 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hmo n GLN 106 N -1.42 3.59 -2.30 0.54 6.02 -1.26 -4.77 117.38 117.79 2hmo n GLN 106 Ca 0.05 -2.82 -0.34 0.00 -0.01 0.00 0.00 57.00 53.88 2hmo n GLN 106 Cb 0.15 -1.83 -0.04 0.00 1.02 0.00 0.00 30.24 29.54 2hmo n GLN 106 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2hmo s ASN 107 N -1.00 5.81 0.41 1.08 3.84 -0.52 -4.83 114.94 119.74 2hmo s ASN 107 Ca 0.48 -1.02 0.12 0.00 0.21 0.00 0.00 52.86 52.65 2hmo s ASN 107 Cb 0.31 -2.56 0.87 0.00 -0.55 0.00 0.00 41.25 39.32 2hmo s ASN 107 CO 0.23 -2.13 1.94 -0.50 -2.79 0.00 0.00 177.10 173.85 2hmo h TRP 108 N 10.63 0.14 0.00 0.43 4.06 -1.88 -2.05 115.95 127.29 2hmo h TRP 108 Ca 0.13 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.07 2hmo h TRP 108 Cb 1.01 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 2hmo h TRP 108 CO 1.24 0.29 0.00 0.41 -3.56 0.00 0.00 178.44 176.83 2hmo n GLY 109 N -0.92 -1.15 0.86 1.49 0.00 -1.26 -2.12 105.19 102.09 2hmo n GLY 109 Ca -0.01 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2hmo n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hmo n ASN 110 N -2.13 2.49 -3.93 1.61 3.02 -0.77 -4.77 115.26 110.79 2hmo n ASN 110 Ca 0.02 -2.05 -0.27 0.00 -0.03 0.00 0.00 54.58 52.25 2hmo n ASN 110 Cb 0.18 -0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 38.86 2hmo n ASN 110 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hmo s SER 111 N -0.95 2.23 0.73 6.41 0.15 -0.90 -3.09 113.70 118.28 2hmo s SER 111 Ca 0.30 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.50 2hmo s SER 111 Cb 0.16 -0.89 0.04 0.00 -1.71 0.00 0.00 66.02 63.62 2hmo s SER 111 CO 0.19 -0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.47 2hmo s PRO 112 N 1.63 2.45 0.31 5.44 0.04 -1.26 -5.01 135.00 138.60 2hmo s PRO 112 Ca 0.04 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 2hmo s PRO 112 Cb -0.13 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 2hmo s PRO 112 CO -0.08 -1.50 1.44 1.17 0.04 0.00 0.00 177.00 178.07 2hmo n LYS 113 N -3.12 2.38 -1.19 4.56 4.81 -1.18 -4.85 118.16 119.58 2hmo n LYS 113 Ca 0.10 0.84 -0.31 0.00 -0.87 0.00 0.00 58.31 58.07 2hmo n LYS 113 Cb 0.53 -2.53 0.10 0.00 0.02 0.00 0.00 35.03 33.15 2hmo n LYS 113 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hmo s LEU 114 N -0.86 3.03 -0.13 3.14 1.02 -1.26 -4.88 118.68 118.73 2hmo s LEU 114 Ca 0.60 1.91 0.02 0.00 0.02 0.00 0.00 54.13 56.67 2hmo s LEU 114 Cb -0.55 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.15 2hmo s LEU 114 CO 0.56 -2.21 -0.18 -0.13 0.02 0.00 0.00 176.35 174.42 2hmo s ARG 115 N -4.79 2.57 -0.06 1.70 1.81 -0.52 -5.01 118.95 114.64 2hmo s ARG 115 Ca 0.63 -0.68 0.04 0.00 -1.72 0.00 0.00 55.73 54.00 2hmo s ARG 115 Cb -0.19 -2.18 -0.02 0.00 -0.45 0.00 0.00 34.95 32.12 2hmo s ARG 115 CO 0.55 -0.10 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.83 2hmo s PHE 116 N 1.07 2.60 -0.06 -0.53 0.08 -1.26 -0.77 117.98 119.12 2hmo s PHE 116 Ca -0.03 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 2hmo s PHE 116 Cb -0.14 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 2hmo s PHE 116 CO -0.05 -0.00 -0.01 0.99 -0.10 0.00 0.00 175.22 176.04 2hmo s THR 117 N -0.42 0.39 -0.05 0.64 2.01 -0.26 -4.79 115.64 113.17 2hmo s THR 117 Ca 0.04 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.12 2hmo s THR 117 Cb -0.12 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 2hmo s THR 117 CO 0.02 0.23 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.91 2hmo s ARG 118 N 1.47 2.51 -0.21 4.92 0.52 -1.26 -0.60 118.95 126.30 2hmo s ARG 118 Ca -0.03 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2hmo s ARG 118 Cb -0.13 -2.40 0.05 0.00 0.52 0.00 0.00 34.95 32.99 2hmo s ARG 118 CO -0.03 0.63 -0.08 -0.06 0.02 0.00 0.00 175.30 175.77 2hmo s PHE 119 N -0.76 2.34 -0.19 -0.53 0.40 0.30 -4.99 117.98 114.54 2hmo s PHE 119 Ca 0.12 -1.59 -0.04 0.00 -0.60 0.00 0.00 56.93 54.82 2hmo s PHE 119 Cb -0.11 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 2hmo s PHE 119 CO 0.01 -0.74 -0.02 0.42 0.70 0.00 0.00 175.22 175.59 2hmo s ILE 120 N 1.42 3.87 0.27 0.64 -1.09 -1.26 -1.15 121.20 123.89 2hmo s ILE 120 Ca -0.02 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2hmo s ILE 120 Cb -0.17 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2hmo s ILE 120 CO -0.08 0.45 0.20 0.42 -1.23 0.00 0.00 174.94 174.70 2hmo s THR 121 N 0.85 0.03 -1.43 2.92 -4.23 -0.29 -4.94 115.64 108.56 2hmo s THR 121 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 2hmo s THR 121 Cb -0.14 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2hmo s THR 121 CO 0.02 0.00 1.10 0.59 -0.54 0.00 0.00 174.62 175.79 2hmo n ASN 122 N -0.88 -5.64 -4.71 3.99 4.13 -1.26 -1.16 115.26 109.73 2hmo n ASN 122 Ca 0.04 -0.64 -0.42 0.00 1.68 0.00 0.00 54.58 55.24 2hmo n ASN 122 Cb 0.64 -4.58 -0.03 0.00 -1.54 0.00 0.00 39.78 34.28 2hmo n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hmo s VAL 123 N -3.32 3.65 0.05 2.41 1.01 -1.26 -4.26 120.40 118.69 2hmo s VAL 123 Ca 0.60 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.78 2hmo s VAL 123 Cb -0.28 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2hmo s VAL 123 CO 0.77 0.06 -0.15 -1.10 0.00 0.00 0.00 175.10 174.68 2hmo s GLN 124 N 1.46 0.95 -0.03 2.72 -0.21 -0.08 -4.99 119.66 119.49 2hmo s GLN 124 Ca 0.62 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 55.15 2hmo s GLN 124 Cb -0.33 -0.98 0.01 0.00 1.00 0.00 0.00 33.01 32.71 2hmo s GLN 124 CO 0.29 0.24 0.07 0.00 -2.12 0.00 0.00 175.29 173.76 2hmo s ALA 125 N -0.95 -0.14 -0.16 6.09 0.00 -1.26 -0.50 121.76 124.85 2hmo s ALA 125 Ca 0.01 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 2hmo s ALA 125 Cb -0.08 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.94 2hmo s ALA 125 CO 0.02 -0.05 0.39 0.00 0.00 0.00 0.00 175.76 176.12 2hmo s ALA 126 N 0.23 -0.99 0.45 0.00 0.00 -0.07 -4.73 121.76 116.64 2hmo s ALA 126 Ca -0.02 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 2hmo s ALA 126 Cb -0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 22.25 2hmo s ALA 126 CO -0.01 -0.22 1.20 -1.64 0.00 0.00 0.00 175.76 175.09 2hmo s MET 127 N 0.78 3.79 0.45 0.00 -1.94 -1.26 -0.71 119.30 120.41 2hmo s MET 127 Ca -0.05 1.88 -0.25 0.00 -1.71 0.00 0.00 55.69 55.57 2hmo s MET 127 Cb -0.06 -2.50 -0.08 0.00 2.01 0.00 0.00 34.83 34.20 2hmo s MET 127 CO -0.06 -0.55 1.38 0.34 -0.01 0.00 0.00 175.02 176.12 2hmo s ASP 128 N -1.19 5.95 0.12 3.03 2.15 0.60 -4.84 116.67 122.48 2hmo s ASP 128 Ca 0.62 2.81 -0.16 0.00 0.43 0.00 0.00 52.55 56.25 2hmo s ASP 128 Cb -0.31 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.63 2hmo s ASP 128 CO 0.39 -1.12 1.62 0.58 -0.17 0.00 0.00 175.17 176.47 2hmo h VAL 129 N 2.25 1.22 0.01 1.11 2.07 -1.94 -3.36 116.25 117.61 2hmo h VAL 129 Ca -0.50 -0.75 -0.35 0.00 0.82 0.00 0.00 66.70 65.91 2hmo h VAL 129 Cb 1.26 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2hmo h VAL 129 CO 0.61 0.26 -2.20 0.59 0.02 0.00 0.00 177.57 176.85 2hmo n ASN 130 N -4.60 0.66 -4.15 0.57 3.02 -1.26 -4.65 115.26 104.85 2hmo n ASN 130 Ca -0.01 0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 2hmo n ASN 130 Cb 0.19 0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 39.67 2hmo n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hmo s ASP 131 N -5.91 5.56 0.02 6.41 -1.08 -1.26 -4.95 116.67 115.47 2hmo s ASP 131 Ca -0.13 -2.71 0.01 0.00 -0.52 0.00 0.00 52.55 49.20 2hmo s ASP 131 Cb 0.07 -1.93 0.07 0.00 -1.46 0.00 0.00 42.92 39.67 2hmo s ASP 131 CO 0.79 -0.44 0.98 0.29 0.52 0.00 0.00 175.17 177.31 2hmo n LYS 132 N 3.75 0.01 -0.15 4.34 4.01 -1.26 -0.26 118.16 128.60 2hmo n LYS 132 Ca 0.07 0.45 0.10 0.00 -0.51 0.00 0.00 58.31 58.43 2hmo n LYS 132 Cb 0.40 -1.59 0.17 0.00 -0.51 0.00 0.00 35.03 33.51 2hmo n LYS 132 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2hmo n GLU 133 N -1.49 2.26 -3.77 1.97 1.02 -1.26 -4.87 120.64 114.50 2hmo n GLU 133 Ca -0.00 -2.08 -0.36 0.00 -0.02 0.00 0.00 57.16 54.70 2hmo n GLU 133 Cb 0.06 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 2hmo n GLU 133 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2hmo s LEU 134 N -1.38 3.67 -0.25 -4.62 2.96 0.64 -4.25 118.68 115.45 2hmo s LEU 134 Ca 0.32 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 2hmo s LEU 134 Cb 0.19 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2hmo s LEU 134 CO 0.27 0.01 0.10 -0.22 -1.32 0.00 0.00 176.35 175.18 2hmo s LEU 135 N 1.39 3.60 -0.09 -0.68 2.96 0.37 -0.29 118.68 125.94 2hmo s LEU 135 Ca 0.06 -0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 53.57 2hmo s LEU 135 Cb -0.15 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2hmo s LEU 135 CO 0.05 -0.02 0.79 -1.00 -1.32 0.00 0.00 176.35 174.84 2hmo s HIS 136 N 1.57 3.54 -0.07 5.38 3.76 0.11 -0.18 115.29 129.40 2hmo s HIS 136 Ca 0.06 1.33 0.02 0.00 -0.15 0.00 0.00 55.06 56.32 2hmo s HIS 136 Cb -0.15 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.63 2hmo s HIS 136 CO 0.05 -0.03 -0.11 0.42 -0.85 0.00 0.00 174.74 174.22 2hmo s ILE 137 N 1.25 1.08 -0.02 0.60 1.01 -0.36 -0.89 121.20 123.86 2hmo s ILE 137 Ca 0.40 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2hmo s ILE 137 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2hmo s ILE 137 CO 0.18 0.34 -0.13 -0.60 0.00 0.00 0.00 174.94 174.74 2hmo s ARG 138 N 0.76 2.46 0.10 2.79 3.52 0.35 -0.87 118.95 128.07 2hmo s ARG 138 Ca -0.13 -0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 54.51 2hmo s ARG 138 Cb -0.15 -2.39 0.06 0.00 -1.56 0.00 0.00 34.95 30.90 2hmo s ARG 138 CO 0.03 0.61 0.55 -1.54 -0.81 0.00 0.00 175.30 174.13 2hmo s SER 139 N -1.00 -0.48 0.04 -2.12 1.04 -0.94 -0.90 113.70 109.33 2hmo s SER 139 Ca 0.13 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.66 2hmo s SER 139 Cb -0.11 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2hmo s SER 139 CO 0.03 -0.85 -0.05 0.20 0.98 0.00 0.00 173.24 173.56 2hmo s ASN 140 N -2.39 4.76 -0.03 7.02 0.01 -0.31 0.20 114.94 124.20 2hmo s ASN 140 Ca -0.02 -0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 2hmo s ASN 140 Cb -0.00 -1.11 -0.00 0.00 0.41 0.00 0.00 41.25 40.55 2hmo s ASN 140 CO -0.08 0.24 -0.14 0.54 -1.51 0.00 0.00 177.10 176.15 2hmo s VAL 141 N -1.13 1.14 -0.16 1.60 0.11 0.11 -1.13 120.40 120.94 2hmo s VAL 141 Ca 0.20 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.63 2hmo s VAL 141 Cb -0.11 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2hmo s VAL 141 CO 0.12 0.33 -0.00 -0.63 -3.33 0.00 0.00 175.10 171.59 2hmo s ILE 142 N -0.04 4.19 -0.15 7.04 1.01 -0.30 -1.62 121.20 131.34 2hmo s ILE 142 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2hmo s ILE 142 Cb -0.09 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.56 2hmo s ILE 142 CO 0.01 0.49 -0.11 -0.22 0.00 0.00 0.00 174.94 175.11 2hmo s LEU 143 N 0.32 1.60 -0.25 2.97 0.20 0.15 -0.54 118.68 123.14 2hmo s LEU 143 Ca -0.01 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.22 2hmo s LEU 143 Cb -0.13 -1.05 -0.03 0.00 -0.43 0.00 0.00 46.19 44.54 2hmo s LEU 143 CO 0.02 -0.10 0.09 -2.28 -0.29 0.00 0.00 176.35 173.79 2hmo s HIS 144 N 1.56 3.12 -0.15 5.38 5.65 0.23 -0.46 115.29 130.62 2hmo s HIS 144 Ca 0.04 -0.28 0.01 0.00 0.25 0.00 0.00 55.06 55.08 2hmo s HIS 144 Cb -0.13 -2.25 0.00 0.00 -1.18 0.00 0.00 32.58 29.02 2hmo s HIS 144 CO -0.09 -0.28 -0.18 0.50 -0.65 0.00 0.00 174.74 174.03 2hmo s ARG 145 N 1.53 3.13 -0.03 2.88 3.52 0.03 -1.10 118.95 128.90 2hmo s ARG 145 Ca 0.06 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 54.91 2hmo s ARG 145 Cb -0.15 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2hmo s ARG 145 CO 0.05 0.01 -0.18 0.00 -0.81 0.00 0.00 175.30 174.37 2hmo s ALA 146 N 0.80 1.53 -0.01 6.12 0.00 0.05 -1.08 121.76 129.17 2hmo s ALA 146 Ca -0.06 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 2hmo s ALA 146 Cb -0.15 -0.46 0.06 0.00 0.00 0.00 0.00 23.12 22.57 2hmo s ALA 146 CO -0.01 0.32 0.58 -0.98 0.00 0.00 0.00 175.76 175.67 2hmo s ARG 147 N -0.16 1.01 -1.25 0.00 1.70 -0.55 -1.44 118.95 118.26 2hmo s ARG 147 Ca 0.01 0.04 -0.06 0.00 -0.47 0.00 0.00 55.73 55.24 2hmo s ARG 147 Cb -0.10 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2hmo s ARG 147 CO 0.01 -0.33 0.84 0.54 -1.08 0.00 0.00 175.30 175.28 2hmo n ARG 148 N 0.77 -5.94 0.00 3.89 1.74 -1.26 -1.84 116.66 114.01 2hmo n ARG 148 Ca -0.19 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2hmo n ARG 148 Cb 0.58 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 2hmo n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hmo n GLY 149 N -1.67 1.97 0.20 -0.13 0.00 -1.26 -4.29 105.19 100.01 2hmo n GLY 149 Ca -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.75 2hmo n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hmo n ASN 150 N 3.48 0.76 -4.67 1.61 0.23 -1.24 -5.02 115.26 110.40 2hmo n ASN 150 Ca 0.00 -1.94 -0.39 0.00 -0.53 0.00 0.00 54.58 51.72 2hmo n ASN 150 Cb 0.00 -0.16 -0.07 0.00 -2.08 0.00 0.00 39.78 37.47 2hmo n ASN 150 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2hmo s GLN 151 N -0.72 4.19 -0.05 -3.83 0.74 -0.77 -5.02 119.66 114.22 2hmo s GLN 151 Ca 0.06 0.39 -0.01 0.00 0.05 0.00 0.00 55.36 55.86 2hmo s GLN 151 Cb 0.06 -3.55 0.03 0.00 1.10 0.00 0.00 33.01 30.64 2hmo s GLN 151 CO 0.01 -0.12 0.01 0.08 -0.55 0.00 0.00 175.29 174.71 2hmo s VAL 152 N 1.56 0.21 -0.07 1.34 1.01 -1.26 -1.48 120.40 121.71 2hmo s VAL 152 Ca 0.24 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2hmo s VAL 152 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2hmo s VAL 152 CO 0.09 0.20 -0.14 -1.81 0.00 0.00 0.00 175.10 173.44 2hmo s ASP 153 N 1.57 2.00 -0.11 3.32 1.01 -0.24 -5.00 116.67 119.21 2hmo s ASP 153 Ca -0.02 -0.34 0.02 0.00 0.71 0.00 0.00 52.55 52.92 2hmo s ASP 153 Cb -0.13 -0.90 0.01 0.00 1.01 0.00 0.00 42.92 42.92 2hmo s ASP 153 CO -0.03 0.06 -0.18 -0.69 0.21 0.00 0.00 175.17 174.54 2hmo s VAL 154 N 0.57 1.69 0.00 -1.27 1.01 -1.26 -0.79 120.40 120.35 2hmo s VAL 154 Ca -0.14 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2hmo s VAL 154 Cb -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2hmo s VAL 154 CO 0.04 0.48 -0.08 -0.36 0.00 0.00 0.00 175.10 175.18 2hmo s PHE 155 N 0.79 2.85 -0.05 5.22 0.40 0.39 -4.95 117.98 122.63 2hmo s PHE 155 Ca -0.10 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 2hmo s PHE 155 Cb -0.16 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.80 2hmo s PHE 155 CO 0.01 0.36 -0.04 0.71 0.70 0.00 0.00 175.22 176.95 2hmo s TYR 156 N -0.98 0.82 0.04 0.36 1.51 -1.26 -0.67 117.35 117.17 2hmo s TYR 156 Ca 0.17 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 55.70 2hmo s TYR 156 Cb -0.11 -0.75 0.08 0.00 -0.11 0.00 0.00 41.96 41.07 2hmo s TYR 156 CO 0.07 -0.24 0.70 0.00 -1.11 0.00 0.00 175.55 174.97 2hmo s ALA 157 N 1.13 -1.72 -0.13 3.71 0.00 -0.64 -4.51 121.76 119.61 2hmo s ALA 157 Ca -0.08 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 2hmo s ALA 157 Cb -0.14 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2hmo s ALA 157 CO -0.01 -0.58 0.05 0.00 0.00 0.00 0.00 175.76 175.22 2hmo s ALA 158 N -2.53 3.45 -0.17 0.00 0.00 -1.26 -0.71 121.76 120.55 2hmo s ALA 158 Ca -0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 2hmo s ALA 158 Cb -0.01 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 2hmo s ALA 158 CO -0.03 0.46 -0.14 1.03 0.00 0.00 0.00 175.76 177.08 2hmo s ARG 159 N -0.48 3.23 -0.42 0.00 0.52 0.13 -4.43 118.95 117.49 2hmo s ARG 159 Ca 0.10 -0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 54.43 2hmo s ARG 159 Cb -0.12 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.71 2hmo s ARG 159 CO 0.02 -0.03 0.31 -1.21 0.02 0.00 0.00 175.30 174.42 2hmo s GLU 160 N 0.93 2.93 0.15 3.54 2.02 -0.11 -2.22 118.70 125.94 2hmo s GLU 160 Ca -0.03 -1.15 0.08 0.00 0.02 0.00 0.00 54.97 53.89 2hmo s GLU 160 Cb -0.15 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2hmo s GLU 160 CO -0.02 -0.84 -0.09 -0.51 0.02 0.00 0.00 175.26 173.82 2hmo s ASP 161 N 1.96 4.32 -0.07 -0.19 1.01 -0.05 -0.76 116.67 122.89 2hmo s ASP 161 Ca 0.04 -0.50 0.04 0.00 0.71 0.00 0.00 52.55 52.84 2hmo s ASP 161 Cb -0.21 -0.77 -0.00 0.00 1.01 0.00 0.00 42.92 42.95 2hmo s ASP 161 CO 0.08 0.13 -0.21 -0.54 0.21 0.00 0.00 175.17 174.84 2hmo s LYS 162 N -2.61 2.41 0.04 8.23 1.02 -0.02 -1.22 119.74 127.58 2hmo s LYS 162 Ca 0.24 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.56 2hmo s LYS 162 Cb -0.10 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 2hmo s LYS 162 CO 0.15 0.21 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.01 2hmo s TRP 163 N 0.22 1.76 -0.02 3.18 0.52 0.75 -0.37 118.94 124.98 2hmo s TRP 163 Ca -0.11 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 55.57 2hmo s TRP 163 Cb -0.15 -1.05 0.01 0.00 -1.15 0.00 0.00 33.47 31.12 2hmo s TRP 163 CO 0.05 0.09 0.14 0.21 0.02 0.00 0.00 176.95 177.46 2hmo s LYS 164 N -1.18 0.35 0.13 4.98 2.20 0.04 -0.47 119.74 125.78 2hmo s LYS 164 Ca 0.07 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.21 2hmo s LYS 164 Cb -0.09 0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 2hmo s LYS 164 CO 0.02 -0.07 1.44 1.03 -0.36 0.00 0.00 175.35 177.40 2hmo s ARG 165 N -0.79 4.29 0.00 4.03 0.52 -1.26 -0.71 118.95 125.03 2hmo s ARG 165 Ca -0.09 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 2hmo s ARG 165 Cb -0.05 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.19 2hmo s ARG 165 CO 0.01 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.25 2hmo n GLY 166 N 3.57 4.99 3.76 -3.53 0.00 0.11 -4.90 105.19 109.18 2hmo n GLY 166 Ca 0.12 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2hmo n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hmo s GLU 167 N 4.48 4.15 -0.11 1.61 8.01 -1.26 -1.25 118.70 134.33 2hmo s GLU 167 Ca 0.00 2.52 0.00 0.00 0.01 0.00 0.00 54.97 57.50 2hmo s GLU 167 Cb 0.00 -3.02 0.00 0.00 -4.31 0.00 0.00 34.13 26.80 2hmo s GLU 167 CO 0.00 -0.55 0.00 0.41 0.01 0.00 0.00 175.26 175.13 2hmo n GLY 168 N 1.66 0.34 2.33 -1.39 0.00 -1.26 -2.79 105.19 104.08 2hmo n GLY 168 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2hmo n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hmo n GLY 169 N -1.05 0.38 3.69 -0.02 0.00 -0.38 -5.01 105.19 102.80 2hmo n GLY 169 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2hmo n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hmo s VAL 170 N -1.71 4.47 0.10 1.61 1.01 -1.12 -4.59 120.40 120.17 2hmo s VAL 170 Ca 0.00 1.77 -0.31 0.00 0.00 0.00 0.00 61.98 63.44 2hmo s VAL 170 Cb 0.00 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2hmo s VAL 170 CO 0.00 0.03 1.46 -0.13 0.00 0.00 0.00 175.10 176.46 2hmo s ARG 171 N 1.92 4.28 0.10 2.72 0.52 -1.26 0.07 118.95 127.29 2hmo s ARG 171 Ca 0.53 2.14 0.05 0.00 -0.52 0.00 0.00 55.73 57.93 2hmo s ARG 171 Cb -0.23 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 2hmo s ARG 171 CO 0.22 -0.53 -0.13 0.15 0.02 0.00 0.00 175.30 175.02 2hmo s LYS 172 N 1.56 0.91 -0.02 3.54 1.02 0.11 -4.80 119.74 122.06 2hmo s LYS 172 Ca 0.67 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 2hmo s LYS 172 Cb -0.37 -0.79 -0.06 0.00 -0.52 0.00 0.00 37.83 36.09 2hmo s LYS 172 CO 0.30 0.16 1.56 -1.17 -0.92 0.00 0.00 175.35 175.28 2hmo s LEU 173 N -2.18 4.32 -0.01 3.17 2.96 0.14 -0.78 118.68 126.29 2hmo s LEU 173 Ca 0.04 2.22 0.12 0.00 -0.22 0.00 0.00 54.13 56.29 2hmo s LEU 173 Cb -0.06 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.90 2hmo s LEU 173 CO 0.02 -0.85 0.29 1.33 -1.32 0.00 0.00 176.35 175.82 2hmo n VAL 174 N 5.09 0.00 -3.69 1.68 0.24 0.51 -0.48 118.33 121.67 2hmo n VAL 174 Ca 0.16 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2hmo n VAL 174 Cb 0.43 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.02 2hmo n VAL 174 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hmo s GLN 175 N -2.75 0.54 -0.06 7.34 0.74 -0.95 -1.52 119.66 122.99 2hmo s GLN 175 Ca -0.03 0.78 0.03 0.00 0.05 0.00 0.00 55.36 56.19 2hmo s GLN 175 Cb 0.08 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.37 2hmo s GLN 175 CO 0.50 -0.10 -0.15 0.50 -0.55 0.00 0.00 175.29 175.49 2hmo s ARG 176 N 0.76 1.84 -0.11 1.67 3.52 -0.32 -0.84 118.95 125.46 2hmo s ARG 176 Ca -0.04 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 2hmo s ARG 176 Cb -0.05 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.83 2hmo s ARG 176 CO -0.06 0.11 -0.15 0.12 -0.81 0.00 0.00 175.30 174.52 2hmo s PHE 177 N 0.43 1.93 -0.07 5.12 5.36 0.06 -0.91 117.98 129.90 2hmo s PHE 177 Ca -0.12 -0.91 0.02 0.00 -0.96 0.00 0.00 56.93 54.97 2hmo s PHE 177 Cb -0.15 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.14 2hmo s PHE 177 CO 0.04 -0.48 -0.14 0.08 -1.46 0.00 0.00 175.22 173.26 2hmo s VAL 178 N 1.03 1.29 -0.51 3.12 1.01 -0.26 -0.94 120.40 125.15 2hmo s VAL 178 Ca -0.06 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2hmo s VAL 178 Cb -0.15 -1.17 0.12 0.00 0.00 0.00 0.00 36.38 35.18 2hmo s VAL 178 CO -0.02 0.39 0.43 -0.62 0.00 0.00 0.00 175.10 175.28 2hmo s ASP 179 N 0.68 6.03 0.08 3.32 -1.08 -1.26 -0.37 116.67 124.06 2hmo s ASP 179 Ca -0.14 -1.74 -0.31 0.00 -0.52 0.00 0.00 52.55 49.85 2hmo s ASP 179 Cb -0.16 -2.14 -0.08 0.00 -1.46 0.00 0.00 42.92 39.08 2hmo s ASP 179 CO 0.04 -0.77 1.47 -0.47 0.52 0.00 0.00 175.17 175.96 2hmo s TYR 180 N 1.53 2.95 -0.07 -5.34 5.04 -0.16 -4.82 117.35 116.48 2hmo s TYR 180 Ca 0.04 0.74 0.25 0.00 -2.44 0.00 0.00 57.07 55.66 2hmo s TYR 180 Cb -0.28 -3.77 0.75 0.00 0.35 0.00 0.00 41.96 39.01 2hmo s TYR 180 CO 0.03 -2.84 1.75 -1.00 -1.34 0.00 0.00 175.55 172.14 2hmo h PRO 181 N 7.39 0.00 -5.20 4.97 0.13 -1.90 -3.43 132.00 133.97 2hmo h PRO 181 Ca -0.41 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.10 2hmo h PRO 181 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2hmo h PRO 181 CO 0.89 0.15 -0.25 -1.21 -0.23 0.00 0.00 178.00 177.36 2hmo s GLU 182 N -3.43 4.05 0.03 0.86 2.02 -1.26 -4.99 118.70 115.97 2hmo s GLU 182 Ca 0.03 0.05 -0.21 0.00 0.02 0.00 0.00 54.97 54.86 2hmo s GLU 182 Cb 0.08 -3.63 -0.15 0.00 0.10 0.00 0.00 34.13 30.53 2hmo s GLU 182 CO 0.64 -0.21 1.33 -0.09 0.02 0.00 0.00 175.26 176.94 2hmo h ARG 183 N 7.99 0.31 -4.74 1.61 9.65 -1.92 -3.40 114.38 123.88 2hmo h ARG 183 Ca -0.33 -0.17 -0.68 0.00 -1.10 0.00 0.00 59.98 57.71 2hmo h ARG 183 Cb 1.16 0.01 -0.22 0.00 -1.39 0.00 0.00 29.97 29.53 2hmo h ARG 183 CO 0.66 0.72 -0.53 0.42 2.80 0.00 0.00 179.97 184.03 2hmo s ILE 184 N -4.26 4.79 0.23 1.20 1.01 -1.26 -5.00 121.20 117.91 2hmo s ILE 184 Ca -0.14 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2hmo s ILE 184 Cb 0.05 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 2hmo s ILE 184 CO 0.74 0.02 1.27 -0.76 0.00 0.00 0.00 174.94 176.21 2hmo s LEU 185 N 1.64 4.44 -0.27 2.97 1.43 -1.26 -4.92 118.68 122.71 2hmo s LEU 185 Ca 0.05 2.41 0.09 0.00 -1.03 0.00 0.00 54.13 55.65 2hmo s LEU 185 Cb -0.17 -3.62 0.46 0.00 0.03 0.00 0.00 46.19 42.88 2hmo s LEU 185 CO 0.07 -0.46 1.31 0.00 0.23 0.00 0.00 176.35 177.51 2hmo n GLN 186 N 2.13 2.12 -0.11 1.70 1.13 -1.26 -4.65 117.38 118.45 2hmo n GLN 186 Ca 0.04 -3.46 0.09 0.00 -1.94 0.00 0.00 57.00 51.73 2hmo n GLN 186 Cb 0.43 -1.84 0.13 0.00 0.11 0.00 0.00 30.24 29.08 2hmo n GLN 186 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2hmo n THR 187 N -1.03 1.80 0.00 5.09 -2.24 -1.26 -4.99 114.28 111.65 2hmo n THR 187 Ca 0.30 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.90 2hmo n THR 187 Cb 0.85 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2hmo n THR 187 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2hmo n HIS 188 N -1.35 0.00 -3.85 4.78 8.25 -1.26 -4.75 115.22 117.03 2hmo n HIS 188 Ca 0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.57 2hmo n HIS 188 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 2hmo n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2hmo n ASN 189 N 1.14 -1.74 -2.01 0.41 0.23 -1.26 -5.03 115.26 107.00 2hmo n ASN 189 Ca 0.00 -1.97 -0.24 0.00 -0.53 0.00 0.00 54.58 51.83 2hmo n ASN 189 Cb 0.00 2.84 0.04 0.00 -2.08 0.00 0.00 39.78 40.58 2hmo n ASN 189 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2hmo n LEU 190 N 0.00 5.28 -2.19 -4.53 0.00 -1.26 -4.90 117.00 109.40 2hmo n LEU 190 Ca -0.03 -4.63 -0.16 0.00 0.00 0.00 0.00 56.01 51.18 2hmo n LEU 190 Cb 0.55 -0.45 -0.15 0.00 0.00 0.00 0.00 43.42 43.38 2hmo n LEU 190 CO 0.21 1.97 1.82 0.23 0.00 0.00 0.00 177.39 181.63 2hmo n MET 191 N -0.76 2.24 -4.09 1.96 2.81 -1.26 -4.78 117.12 113.24 2hmo n MET 191 Ca 0.46 -1.25 -0.14 0.00 -1.81 0.00 0.00 57.70 54.96 2hmo n MET 191 Cb 0.92 -2.10 -0.12 0.00 -0.71 0.00 0.00 33.22 31.20 2hmo n MET 191 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2hmo s VAL 192 N 0.88 0.55 -0.55 2.03 -7.23 -1.26 -5.10 120.40 109.72 2hmo s VAL 192 Ca 0.67 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 2hmo s VAL 192 Cb 0.31 -0.59 0.04 0.00 0.56 0.00 0.00 36.38 36.71 2hmo s VAL 192 CO -0.02 -0.27 0.93 -0.36 -0.31 0.00 0.00 175.10 175.06 2hmo s PHE 193 N -1.12 2.80 -2.00 2.82 0.08 -1.26 -5.16 117.98 114.14 2hmo s PHE 193 Ca -0.07 -0.05 0.24 0.00 0.12 0.00 0.00 56.93 57.17 2hmo s PHE 193 Cb -0.08 -4.05 1.45 0.00 -0.57 0.00 0.00 43.02 39.76 2hmo s PHE 193 CO 0.00 -1.34 1.81 1.28 -0.10 0.00 0.00 175.22 176.87