#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk s THR 2 N 0.00 2.76 0.14 2.03 2.01 -1.26 -4.92 115.64 116.40 2hgk s THR 2 Ca 0.00 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 2hgk s THR 2 Cb 0.00 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.23 2hgk s THR 2 CO 0.00 0.02 1.70 0.74 -0.69 0.00 0.00 174.62 176.39 2hgk h THR 3 N 4.28 1.20 0.00 -0.82 2.02 -2.01 -1.56 112.91 116.02 2hgk h THR 3 Ca -0.43 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 2hgk h THR 3 Cb 1.20 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2hgk h THR 3 CO 0.92 0.22 -0.00 0.45 0.37 0.00 0.00 175.52 177.48 2hgk h HIS 4 N 0.56 0.00 0.21 3.16 -0.00 -1.91 -2.43 115.15 114.74 2hgk h HIS 4 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.18 2hgk h HIS 4 Cb 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.61 2hgk h HIS 4 CO -0.00 0.00 -1.60 0.22 -0.00 0.00 0.00 177.93 176.55 2hgk h ASP 5 N 0.00 0.69 -0.12 2.45 3.58 -1.67 -3.10 116.42 118.25 2hgk h ASP 5 Ca -0.00 -0.87 -0.08 0.00 0.42 0.00 0.00 57.03 56.50 2hgk h ASP 5 Cb 0.19 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2hgk h ASP 5 CO 0.00 1.71 -0.17 0.03 -2.88 0.00 0.00 179.24 177.93 2hgk h ARG 6 N 0.12 0.51 -0.03 0.28 3.08 -0.87 -1.71 114.38 115.76 2hgk h ARG 6 Ca -0.29 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 2hgk h ARG 6 Cb 2.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.11 2hgk h ARG 6 CO 0.22 0.66 -0.39 0.28 -1.07 0.00 0.00 179.97 179.66 2hgk h VAL 7 N 0.46 1.29 -0.58 2.04 2.07 -1.57 -1.58 116.25 118.38 2hgk h VAL 7 Ca 0.08 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2hgk h VAL 7 Cb 0.56 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2hgk h VAL 7 CO 0.04 0.40 0.27 -0.09 0.02 0.00 0.00 177.57 178.21 2hgk h ARG 8 N 0.05 0.85 -0.68 1.57 2.43 -1.25 -1.66 114.38 115.69 2hgk h ARG 8 Ca 0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2hgk h ARG 8 Cb 0.72 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2hgk h ARG 8 CO 0.05 0.69 0.29 -0.07 -1.51 0.00 0.00 179.97 179.42 2hgk h LEU 9 N 0.80 0.89 -0.74 3.80 3.38 -0.84 -2.03 115.31 120.56 2hgk h LEU 9 Ca 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 9 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2hgk h LEU 9 CO -0.02 0.79 0.49 -0.61 0.09 0.00 0.00 178.44 179.18 2hgk h GLN 10 N 0.97 0.98 -0.81 1.13 5.75 -0.88 0.15 115.11 122.40 2hgk h GLN 10 Ca 0.23 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2hgk h GLN 10 Cb 0.16 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 2hgk h GLN 10 CO -0.02 0.65 0.53 -0.07 -2.65 0.00 0.00 178.83 177.27 2hgk h LEU 11 N 1.01 0.92 -0.50 -2.39 3.38 -0.65 -1.02 115.31 116.07 2hgk h LEU 11 Ca 0.27 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 2hgk h LEU 11 Cb -0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 2hgk h LEU 11 CO -0.06 0.66 -0.48 1.56 0.09 0.00 0.00 178.44 180.21 2hgk h GLN 12 N 1.08 0.00 -0.41 1.13 4.20 -0.68 -1.21 115.11 119.22 2hgk h GLN 12 Ca 0.30 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 2hgk h GLN 12 Cb -0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2hgk h GLN 12 CO -0.07 0.48 -0.19 0.00 -0.67 0.00 0.00 178.83 178.38 2hgk h ALA 13 N 1.52 0.58 -0.64 3.87 0.00 0.27 0.14 119.26 125.00 2hgk h ALA 13 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2hgk h ALA 13 Cb 1.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2hgk h ALA 13 CO 0.06 0.53 0.07 1.25 0.00 0.00 0.00 179.25 181.16 2hgk h LEU 14 N 0.67 1.03 -0.72 0.00 5.85 -1.10 -1.66 115.31 119.38 2hgk h LEU 14 Ca 0.09 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2hgk h LEU 14 Cb 0.75 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2hgk h LEU 14 CO 0.06 1.04 0.42 -0.08 -0.34 0.00 0.00 178.44 179.55 2hgk h GLU 15 N 0.99 0.99 -0.60 1.25 4.81 -1.00 -1.49 114.58 119.53 2hgk h GLU 15 Ca 0.19 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2hgk h GLU 15 Cb 0.48 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2hgk h GLU 15 CO 0.02 0.71 0.19 0.00 -0.73 0.00 0.00 179.01 179.20 2hgk h ALA 16 N 1.22 1.20 -0.73 2.92 0.00 -0.45 0.09 119.26 123.52 2hgk h ALA 16 Ca 0.26 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2hgk h ALA 16 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2hgk h ALA 16 CO -0.05 0.56 0.23 1.25 0.00 0.00 0.00 179.25 181.25 2hgk h LEU 17 N 0.88 1.04 -0.25 0.00 6.46 -0.74 -0.68 115.31 122.03 2hgk h LEU 17 Ca 0.20 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2hgk h LEU 17 Cb 0.25 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2hgk h LEU 17 CO -0.01 0.96 0.00 -0.07 -0.62 0.00 0.00 178.44 178.70 2hgk h LEU 18 N 1.07 0.00 0.24 2.25 3.38 -0.76 -0.57 115.31 120.93 2hgk h LEU 18 Ca 0.24 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.87 2hgk h LEU 18 Cb 0.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2hgk h LEU 18 CO -0.01 0.00 -1.50 -0.09 0.09 0.00 0.00 178.44 176.93 2hgk h ARG 19 N 0.00 0.51 0.01 1.13 9.65 0.03 -2.68 114.38 123.03 2hgk h ARG 19 Ca 0.00 -0.87 -0.00 0.00 -1.10 0.00 0.00 59.98 58.01 2hgk h ARG 19 Cb 0.63 0.32 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 2hgk h ARG 19 CO 0.00 1.42 -0.01 0.93 2.80 0.00 0.00 179.97 185.11 2hgk h GLU 20 N 0.11 -0.02 -2.35 0.20 5.08 -1.09 -3.29 114.58 113.23 2hgk h GLU 20 Ca -0.27 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.31 2hgk h GLU 20 Cb 2.14 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 31.17 2hgk h GLU 20 CO 0.25 0.52 1.47 0.72 -1.00 0.00 0.00 179.01 180.98 2hgk n HIS 21 N -4.84 2.70 -1.18 4.33 8.25 -0.23 -4.96 115.22 119.29 2hgk n HIS 21 Ca -0.09 -2.62 -0.27 0.00 -0.26 0.00 0.00 57.72 54.48 2hgk n HIS 21 Cb 0.28 -1.40 -0.14 0.00 1.12 0.00 0.00 29.99 29.84 2hgk n HIS 21 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hgk n GLN 22 N 0.51 0.00 -0.73 -0.41 6.02 -1.02 -4.64 117.38 117.09 2hgk n GLN 22 Ca 0.52 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.53 2hgk n GLN 22 Cb 0.26 -1.04 0.01 0.00 1.02 0.00 0.00 30.24 30.49 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgk n HIS 23 N 6.90 0.00 -2.14 1.08 8.25 -1.13 -5.05 115.22 123.12 2hgk n HIS 23 Ca 0.53 -0.19 -0.41 0.00 -0.26 0.00 0.00 57.72 57.38 2hgk n HIS 23 Cb 0.05 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 2hgk n HIS 23 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2hgk s TRP 24 N -0.16 3.18 -0.07 4.41 -0.11 -1.26 -5.02 118.94 119.91 2hgk s TRP 24 Ca 0.10 1.10 0.02 0.00 1.22 0.00 0.00 56.10 58.55 2hgk s TRP 24 Cb 0.11 -3.69 -0.02 0.00 -1.50 0.00 0.00 33.47 28.37 2hgk s TRP 24 CO -0.04 -2.24 -0.13 1.03 -4.62 0.00 0.00 176.95 170.95 2hgk s ARG 25 N 0.04 2.71 -0.26 5.86 1.81 -1.26 -5.10 118.95 122.75 2hgk s ARG 25 Ca 0.59 -0.67 0.01 0.00 -1.72 0.00 0.00 55.73 53.94 2hgk s ARG 25 Cb -0.38 -2.46 0.07 0.00 -0.45 0.00 0.00 34.95 31.73 2hgk s ARG 25 CO 0.38 0.55 -0.02 1.21 -0.68 0.00 0.00 175.30 176.73 2hgk s ASN 26 N -0.52 4.07 0.20 0.23 2.47 -1.26 -4.68 114.94 115.45 2hgk s ASN 26 Ca 0.07 -1.41 -0.19 0.00 0.42 0.00 0.00 52.86 51.75 2hgk s ASN 26 Cb -0.12 -1.24 -0.08 0.00 -1.45 0.00 0.00 41.25 38.36 2hgk s ASN 26 CO 0.02 -0.28 0.68 -0.62 -3.72 0.00 0.00 177.10 173.18 2hgk s ASP 27 N 1.32 7.02 -0.66 -4.21 2.15 -1.26 -5.03 116.67 116.00 2hgk s ASP 27 Ca -0.01 1.35 -0.20 0.00 0.43 0.00 0.00 52.55 54.11 2hgk s ASP 27 Cb -0.19 -2.39 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2hgk s ASP 27 CO -0.09 0.06 0.86 -0.70 -0.17 0.00 0.00 175.17 175.14 2hgk s GLU 28 N -1.90 3.15 0.00 4.34 2.56 -1.26 -4.84 118.70 120.74 2hgk s GLU 28 Ca 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 54.97 54.19 2hgk s GLU 28 Cb -0.17 -4.33 0.00 0.00 2.00 0.00 0.00 34.13 31.64 2hgk s GLU 28 CO 0.21 -1.68 0.00 -2.30 -0.56 0.00 0.00 175.26 170.93 2hgk n PRO 29 N 6.88 0.00 -3.07 4.30 -0.02 -1.26 -4.84 135.00 136.98 2hgk n PRO 29 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 2hgk n PRO 29 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.86 2hgk n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2hgk s GLN 30 N 0.00 3.26 0.56 -0.52 -0.21 -1.26 -4.92 119.66 116.57 2hgk s GLN 30 Ca 0.00 -0.45 0.29 0.00 0.02 0.00 0.00 55.36 55.22 2hgk s GLN 30 Cb 0.00 -3.99 1.69 0.00 1.00 0.00 0.00 33.01 31.70 2hgk s GLN 30 CO 0.00 -1.13 2.18 -1.00 -2.12 0.00 0.00 175.29 173.23 2hgk h PRO 31 N 8.97 0.00 -0.53 2.91 0.13 -2.01 -1.50 132.00 139.97 2hgk h PRO 31 Ca -0.26 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.98 2hgk h PRO 31 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2hgk h PRO 31 CO 0.94 0.05 0.36 1.25 -0.23 0.00 0.00 178.00 180.37 2hgk h HIS 32 N 0.00 0.28 0.00 1.56 2.76 -1.97 0.28 115.15 118.06 2hgk h HIS 32 Ca -0.00 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 2hgk h HIS 32 Cb 0.14 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2hgk h HIS 32 CO 0.00 0.13 -0.27 0.37 -1.30 0.00 0.00 177.93 176.86 2hgk h GLN 33 N 0.26 0.00 0.00 5.26 4.15 -1.64 -3.30 115.11 119.84 2hgk h GLN 33 Ca 0.25 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.52 2hgk h GLN 33 Cb 0.63 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 2hgk h GLN 33 CO -0.05 0.27 -1.81 1.19 -1.93 0.00 0.00 178.83 176.50 2hgk n PHE 34 N -3.30 0.00 1.85 3.99 3.72 -0.35 -4.39 117.46 118.98 2hgk n PHE 34 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2hgk n PHE 34 Cb 0.52 -0.52 0.74 0.00 -0.94 0.00 0.00 39.48 39.28 2hgk n PHE 34 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2hgk n ASN 35 N -2.29 0.00 0.09 4.37 3.02 0.83 -0.88 115.26 120.40 2hgk n ASN 35 Ca -0.14 -1.08 -0.06 0.00 -0.03 0.00 0.00 54.58 53.27 2hgk n ASN 35 Cb 0.70 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.91 2hgk n ASN 35 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2hgk h SER 36 N 0.00 0.17 -2.22 6.41 4.64 -1.76 -3.48 113.55 117.30 2hgk h SER 36 Ca 0.00 -0.13 -0.36 0.00 -0.47 0.00 0.00 61.79 60.83 2hgk h SER 36 Cb 0.00 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 2hgk h SER 36 CO 0.00 0.89 -0.44 0.41 -0.87 0.00 0.00 176.83 176.82 2hgk n THR 37 N -3.68 -0.68 -2.96 2.95 -1.04 -0.06 -4.98 114.28 103.82 2hgk n THR 37 Ca -0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 2hgk n THR 37 Cb 0.75 -2.47 -0.06 0.00 -1.82 0.00 0.00 70.33 66.73 2hgk n THR 37 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2hgk s GLN 38 N -4.62 4.22 0.35 -2.82 -0.21 -1.26 -4.98 119.66 110.34 2hgk s GLN 38 Ca 0.00 0.96 0.03 0.00 0.02 0.00 0.00 55.36 56.37 2hgk s GLN 38 Cb 0.00 -2.48 0.65 0.00 1.00 0.00 0.00 33.01 32.18 2hgk s GLN 38 CO 0.00 0.15 2.01 -1.00 -2.12 0.00 0.00 175.29 174.33 2hgk h PRO 39 N 2.47 0.80 0.00 2.91 0.13 -2.01 -3.10 132.00 133.21 2hgk h PRO 39 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2hgk h PRO 39 Cb 1.18 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2hgk h PRO 39 CO 0.64 0.54 0.00 1.19 -0.23 0.00 0.00 178.00 180.14 2hgk n PHE 40 N -4.44 0.00 -3.86 1.56 3.72 -1.26 -5.02 117.46 108.16 2hgk n PHE 40 Ca 0.06 -0.32 -0.30 0.00 -0.05 0.00 0.00 57.45 56.84 2hgk n PHE 40 Cb 0.05 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2hgk n PHE 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2hgk n PHE 41 N -0.32 -1.72 0.04 1.38 3.72 -1.17 -4.68 117.46 114.70 2hgk n PHE 41 Ca 0.00 0.57 -0.13 0.00 -0.05 0.00 0.00 57.45 57.84 2hgk n PHE 41 Cb 0.25 -3.53 -0.02 0.00 -0.94 0.00 0.00 39.48 35.24 2hgk n PHE 41 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2hgk h MET 42 N -1.93 0.51 0.00 -1.08 2.86 -1.90 -3.04 114.93 110.35 2hgk h MET 42 Ca -0.65 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 56.54 2hgk h MET 42 Cb 1.37 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2hgk h MET 42 CO 0.56 1.08 -1.12 -0.25 1.06 0.00 0.00 176.91 178.24 2hgk n ASP 43 N -3.84 0.64 0.05 1.22 8.00 -1.26 -4.18 116.55 117.18 2hgk n ASP 43 Ca -0.06 -0.44 -0.04 0.00 0.71 0.00 0.00 54.79 54.96 2hgk n ASP 43 Cb 0.75 1.00 -0.09 0.00 -0.02 0.00 0.00 41.12 42.76 2hgk n ASP 43 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2hgk h THR 44 N 0.00 1.12 -1.97 -3.53 2.02 -1.93 -3.49 112.91 105.13 2hgk h THR 44 Ca 0.00 -2.76 0.07 0.00 0.77 0.00 0.00 66.41 64.49 2hgk h THR 44 Cb 0.68 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 2hgk h THR 44 CO 0.00 0.64 0.26 0.80 0.37 0.00 0.00 175.52 177.59 2hgk n MET 45 N -3.17 0.27 -2.22 6.66 1.56 -1.15 -4.97 117.12 114.10 2hgk n MET 45 Ca -0.06 -0.62 -0.41 0.00 -0.27 0.00 0.00 57.70 56.35 2hgk n MET 45 Cb 0.91 0.84 -0.03 0.00 2.15 0.00 0.00 33.22 37.10 2hgk n MET 45 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2hgk s GLU 46 N -2.02 4.43 0.07 2.12 0.41 -1.26 -4.44 118.70 118.02 2hgk s GLU 46 Ca 0.10 2.10 0.04 0.00 -0.41 0.00 0.00 54.97 56.80 2hgk s GLU 46 Cb -0.01 -3.11 0.24 0.00 -1.78 0.00 0.00 34.13 29.47 2hgk s GLU 46 CO 0.02 -0.08 1.11 -0.35 -0.49 0.00 0.00 175.26 175.47 2hgk n PRO 47 N 0.97 0.03 0.14 0.39 -0.04 -1.26 -0.94 135.00 134.28 2hgk n PRO 47 Ca -0.00 0.50 0.02 0.00 -0.04 0.00 0.00 63.50 63.98 2hgk n PRO 47 Cb 0.43 -1.63 0.08 0.00 -0.04 0.00 0.00 33.50 32.33 2hgk n PRO 47 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2hgk h LEU 48 N 0.00 0.00 -0.32 1.53 3.38 -1.91 -3.17 115.31 114.82 2hgk h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 48 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2hgk h LEU 48 CO 0.00 0.51 0.00 -0.62 0.09 0.00 0.00 178.44 178.42 2hgk n GLU 49 N -3.29 1.21 0.01 1.13 4.71 -0.12 -3.00 120.64 121.30 2hgk n GLU 49 Ca 0.01 -0.32 -0.20 0.00 -0.01 0.00 0.00 57.16 56.65 2hgk n GLU 49 Cb 0.71 -1.30 -0.14 0.00 -1.01 0.00 0.00 31.44 29.70 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 0.09 0.00 0.00 177.13 179.57 2hgk h TRP 50 N 0.63 0.46 -0.23 -0.32 7.01 -1.70 -3.39 115.95 118.40 2hgk h TRP 50 Ca 0.00 -0.34 0.04 0.00 2.11 0.00 0.00 58.89 60.71 2hgk h TRP 50 Cb 0.14 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 2hgk h TRP 50 CO 0.03 1.71 -0.05 1.25 -2.79 0.00 0.00 178.44 178.59 2hgk h LEU 51 N 0.07 -0.19-10.25 0.65 5.85 -1.69 -1.32 115.31 108.44 2hgk h LEU 51 Ca -0.40 0.07 -0.45 0.00 0.84 0.00 0.00 57.88 57.93 2hgk h LEU 51 Cb 2.04 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 43.20 2hgk h LEU 51 CO 0.10 -0.07 -0.37 0.00 -0.34 0.00 0.00 178.44 177.76 2hgk s GLN 52 N -6.20 3.05 0.00 1.25 -2.07 -1.25 -3.12 119.66 111.31 2hgk s GLN 52 Ca -0.13 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 2hgk s GLN 52 Cb 0.11 -2.75 0.00 0.00 -1.09 0.00 0.00 33.01 29.28 2hgk s GLN 52 CO 0.69 0.09 0.00 1.87 -1.32 0.00 0.00 175.29 176.62 2hgk n TRP 53 N -1.56 0.00 -0.01 9.60 -0.00 -1.26 -4.29 117.44 119.92 2hgk n TRP 53 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.48 2hgk n TRP 53 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.89 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2hgk n VAL 54 N 0.00 0.11 0.03 5.87 0.31 -1.25 -4.43 118.33 118.98 2hgk n VAL 54 Ca 0.00 0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 64.70 2hgk n VAL 54 Cb 0.00 -1.57 -0.04 0.00 -0.91 0.00 0.00 33.84 31.32 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N -0.08 -0.57 0.62 7.52 5.85 -1.30 -0.19 115.31 127.16 2hgk h LEU 55 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2hgk h LEU 55 Cb 0.06 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2hgk h LEU 55 CO 0.00 -0.25 -0.44 0.40 -0.34 0.00 0.00 178.44 177.81 2hgk h ILE 56 N -0.28 0.12 -0.15 4.05 2.04 -1.81 -0.20 117.51 121.27 2hgk h ILE 56 Ca 0.07 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 2hgk h ILE 56 Cb 0.38 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2hgk h ILE 56 CO -0.22 0.00 -0.20 -0.65 0.00 0.00 0.00 178.15 177.08 2hgk h PRO 57 N -1.02 0.26 -0.50 2.37 0.11 -1.76 -1.47 132.00 129.99 2hgk h PRO 57 Ca -0.08 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2hgk h PRO 57 Cb 0.84 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 2hgk h PRO 57 CO 0.04 0.46 0.33 -0.09 -0.21 0.00 0.00 178.00 178.52 2hgk h ARG 58 N 0.24 0.65 -0.04 1.05 2.43 -0.75 -2.52 114.38 115.44 2hgk h ARG 58 Ca 0.04 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2hgk h ARG 58 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2hgk h ARG 58 CO 0.03 0.43 -0.65 0.52 -1.51 0.00 0.00 179.97 178.79 2hgk h MET 59 N 0.67 0.16 -0.42 0.20 2.86 -0.69 -2.47 114.93 115.24 2hgk h MET 59 Ca 0.18 -0.12 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2hgk h MET 59 Cb -0.08 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.53 2hgk h MET 59 CO -0.04 0.75 -0.02 0.45 1.06 0.00 0.00 176.91 179.11 2hgk h HIS 60 N 0.11 -0.07 -0.34 -0.22 3.86 -0.86 0.28 115.15 117.92 2hgk h HIS 60 Ca -0.01 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.07 2hgk h HIS 60 Cb 1.17 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 2hgk h HIS 60 CO 0.02 -0.11 -0.42 0.22 0.86 0.00 0.00 177.93 178.50 2hgk h ASP 61 N 0.08 0.90 -0.37 2.45 3.58 -1.43 -2.23 116.42 119.40 2hgk h ASP 61 Ca 0.21 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 2hgk h ASP 61 Cb 0.30 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2hgk h ASP 61 CO -0.36 1.20 0.20 0.25 -2.88 0.00 0.00 179.24 177.64 2hgk h LEU 62 N 0.68 0.47 -0.62 2.28 6.46 -0.90 -0.06 115.31 123.62 2hgk h LEU 62 Ca 0.05 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2hgk h LEU 62 Cb 1.00 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 2hgk h LEU 62 CO 0.10 0.44 0.33 -0.07 -0.62 0.00 0.00 178.44 178.61 2hgk h LEU 63 N 0.47 0.79 -0.95 2.25 3.38 -0.44 -2.51 115.31 118.30 2hgk h LEU 63 Ca 0.13 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2hgk h LEU 63 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hgk h LEU 63 CO -0.02 0.67 -0.20 -0.78 0.09 0.00 0.00 178.44 178.20 2hgk h ASP 64 N 0.85 0.53 0.00 -0.43 3.58 -1.04 -2.56 116.42 117.35 2hgk h ASP 64 Ca 0.22 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2hgk h ASP 64 Cb 0.07 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2hgk h ASP 64 CO -0.03 0.74 0.00 0.59 -2.88 0.00 0.00 179.24 177.65 2hgk n ASN 65 N -4.14 0.21 -1.02 2.28 3.02 -0.07 -4.82 115.26 110.72 2hgk n ASN 65 Ca 0.00 -1.90 -0.13 0.00 -0.03 0.00 0.00 54.58 52.52 2hgk n ASN 65 Cb 0.38 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 2hgk n ASN 65 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2hgk n LYS 66 N -0.38 -1.35 -2.22 3.52 4.01 -0.96 -4.94 118.16 115.83 2hgk n LYS 66 Ca 0.00 0.95 -0.41 0.00 -0.51 0.00 0.00 58.31 58.34 2hgk n LYS 66 Cb 0.05 -5.21 -0.03 0.00 -0.51 0.00 0.00 35.03 29.34 2hgk n LYS 66 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2hgk s GLN 67 N -3.05 4.42 0.57 1.97 -1.52 -0.97 -4.98 119.66 116.10 2hgk s GLN 67 Ca 0.00 2.07 -0.21 0.00 -1.95 0.00 0.00 55.36 55.28 2hgk s GLN 67 Cb 0.00 -3.14 -0.04 0.00 -0.22 0.00 0.00 33.01 29.61 2hgk s GLN 67 CO 0.00 -0.14 1.34 -2.14 -0.25 0.00 0.00 175.29 174.10 2hgk s PRO 68 N -1.04 3.00 -0.05 2.91 0.02 -1.26 -4.74 135.00 133.84 2hgk s PRO 68 Ca 0.51 2.20 -0.27 0.00 0.02 0.00 0.00 61.00 63.46 2hgk s PRO 68 Cb -0.37 -2.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 2hgk s PRO 68 CO 0.45 -1.29 0.85 -0.51 -0.33 0.00 0.00 177.00 176.17 2hgk s LEU 69 N -3.72 4.32 -0.35 -5.54 1.43 -1.26 -4.96 118.68 108.59 2hgk s LEU 69 Ca 0.74 1.41 -0.37 0.00 -1.03 0.00 0.00 54.13 54.88 2hgk s LEU 69 Cb -0.40 -3.33 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 2hgk s LEU 69 CO 0.46 -0.23 2.14 -0.81 0.23 0.00 0.00 176.35 178.14 2hgk n PRO 70 N 4.06 0.98 0.26 1.29 -0.04 -1.26 -4.82 135.00 135.46 2hgk n PRO 70 Ca 0.03 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 2hgk n PRO 70 Cb 0.51 -2.32 0.67 0.00 -0.04 0.00 0.00 33.50 32.32 2hgk n PRO 70 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2hgk h GLY 71 N 11.46 0.00 -1.89 0.55 0.00 -1.90 -2.01 103.07 109.28 2hgk h GLY 71 Ca -0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 2hgk h GLY 71 CO 1.02 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 177.48 2hgk n ALA 72 N -2.52 4.07 -2.25 3.60 0.00 -1.26 -4.28 120.51 117.87 2hgk n ALA 72 Ca -0.03 -3.03 -0.43 0.00 0.00 0.00 0.00 53.44 49.96 2hgk n ALA 72 Cb 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 2hgk n ALA 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2hgk s PHE 73 N -3.19 2.35 -0.23 0.00 5.36 -0.76 -4.96 117.98 116.56 2hgk s PHE 73 Ca 0.44 0.68 -0.03 0.00 -0.96 0.00 0.00 56.93 57.06 2hgk s PHE 73 Cb 0.39 -3.96 0.11 0.00 -0.34 0.00 0.00 43.02 39.23 2hgk s PHE 73 CO 0.01 -2.40 0.29 0.00 -1.46 0.00 0.00 175.22 171.65 2hgk s ALA 74 N 4.87 -0.57 -0.33 11.12 0.00 -1.26 -4.63 121.76 130.96 2hgk s ALA 74 Ca 0.65 0.34 0.20 0.00 0.00 0.00 0.00 51.96 53.15 2hgk s ALA 74 Cb -0.21 -1.53 -0.28 0.00 0.00 0.00 0.00 23.12 21.09 2hgk s ALA 74 CO 0.27 -1.33 0.58 1.33 0.00 0.00 0.00 175.76 176.61 2hgk n VAL 75 N 5.33 0.00 0.05 0.00 0.24 -1.26 -4.47 118.33 118.21 2hgk n VAL 75 Ca -0.04 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 2hgk n VAL 75 Cb 0.49 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.17 2hgk n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgk h ALA 76 N 2.19 -0.14 -0.00 2.33 0.00 -1.92 -0.88 119.26 120.82 2hgk h ALA 76 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hgk h ALA 76 Cb 0.78 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2hgk h ALA 76 CO 0.00 -0.62 0.00 -1.00 0.00 0.00 0.00 179.25 177.63 2hgk h PRO 77 N -0.22 0.00 0.02 0.00 0.13 -1.99 0.01 132.00 129.95 2hgk h PRO 77 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2hgk h PRO 77 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 2hgk h PRO 77 CO -0.14 0.00 -0.01 -0.92 -0.23 0.00 0.00 178.00 176.70 2hgk h TYR 78 N 0.00 -0.02 0.00 1.56 3.20 -1.59 -3.32 116.97 116.80 2hgk h TYR 78 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2hgk h TYR 78 Cb 0.01 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2hgk h TYR 78 CO 0.00 0.70 0.00 0.66 -1.64 0.00 0.00 178.16 177.88 2hgk n TYR 79 N -4.69 0.66 0.26 -3.82 4.01 -0.41 -1.18 117.16 111.99 2hgk n TYR 79 Ca -0.08 0.25 0.11 0.00 -0.16 0.00 0.00 57.90 58.02 2hgk n TYR 79 Cb 0.35 -0.90 0.71 0.00 -0.31 0.00 0.00 39.34 39.19 2hgk n TYR 79 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2hgk h GLU 80 N 0.00 0.00 0.00 -0.72 4.81 -1.09 0.17 114.58 117.75 2hgk h GLU 80 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2hgk h GLU 80 Cb 0.39 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2hgk h GLU 80 CO 0.00 0.10 -2.15 -1.33 -0.73 0.00 0.00 179.01 174.90 2hgk n MET 81 N -3.92 0.73 0.06 1.92 2.81 -0.53 -4.53 117.12 113.65 2hgk n MET 81 Ca -0.02 0.09 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 2hgk n MET 81 Cb 0.19 -1.41 0.27 0.00 -0.71 0.00 0.00 33.22 31.56 2hgk n MET 81 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hgk h ALA 82 N 0.20 1.25 -2.81 3.04 0.00 -1.10 -3.39 119.26 116.44 2hgk h ALA 82 Ca -0.45 -0.31 -0.67 0.00 0.00 0.00 0.00 54.91 53.48 2hgk h ALA 82 Cb 1.78 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 19.26 2hgk h ALA 82 CO -0.05 0.50 -0.52 -1.17 0.00 0.00 0.00 179.25 178.01 2hgk s LEU 83 N -8.64 4.25 0.57 0.00 2.96 0.04 -5.02 118.68 112.85 2hgk s LEU 83 Ca -0.06 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.24 2hgk s LEU 83 Cb 0.14 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2hgk s LEU 83 CO 0.77 -0.19 1.14 0.00 -1.32 0.00 0.00 176.35 176.75 2hgk n ALA 84 N 5.04 0.77 0.48 5.97 0.00 -1.26 -4.73 120.51 126.78 2hgk n ALA 84 Ca -0.13 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2hgk n ALA 84 Cb 0.50 -2.22 0.40 0.00 0.00 0.00 0.00 19.45 18.13 2hgk n ALA 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgk n THR 85 N -1.39 0.88 0.36 0.00 -2.24 -1.26 -3.23 114.28 107.40 2hgk n THR 85 Ca 0.12 0.22 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 2hgk n THR 85 Cb 0.46 -1.03 0.30 0.00 -2.10 0.00 0.00 70.33 67.95 2hgk n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hgk n ASP 86 N -1.81 0.15 -3.97 3.42 8.00 -1.26 -3.77 116.55 117.31 2hgk n ASP 86 Ca 0.03 0.55 -0.31 0.00 0.71 0.00 0.00 54.79 55.77 2hgk n ASP 86 Cb 0.21 -0.58 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 2hgk n ASP 86 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2hgk s HIS 87 N -3.09 3.29 0.61 1.24 2.46 -1.20 -4.96 115.29 113.64 2hgk s HIS 87 Ca 0.04 -3.12 0.31 0.00 0.47 0.00 0.00 55.06 52.77 2hgk s HIS 87 Cb 0.07 -2.89 1.75 0.00 -0.13 0.00 0.00 32.58 31.38 2hgk s HIS 87 CO 0.23 -0.73 2.09 -1.00 -2.47 0.00 0.00 174.74 172.86 2hgk h PRO 88 N 6.42 0.00 0.00 2.88 0.13 -1.88 0.46 132.00 140.01 2hgk h PRO 88 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2hgk h PRO 88 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2hgk h PRO 88 CO 0.70 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.51 2hgk n GLN 89 N -3.54 0.45 0.31 0.86 6.02 -1.26 -2.45 117.38 117.77 2hgk n GLN 89 Ca 0.01 0.02 0.20 0.00 -0.01 0.00 0.00 57.00 57.22 2hgk n GLN 89 Cb 0.32 -1.50 0.99 0.00 1.02 0.00 0.00 30.24 31.08 2hgk n GLN 89 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2hgk h ARG 90 N 0.00 0.00 -0.62 -1.09 0.11 -1.27 -2.44 114.38 109.08 2hgk h ARG 90 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 2hgk h ARG 90 Cb 0.02 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.06 2hgk h ARG 90 CO 0.00 0.01 0.41 0.00 0.10 0.00 0.00 179.97 180.49 2hgk h ALA 91 N 1.99 1.87 -0.42 0.08 0.00 -1.73 0.19 119.26 121.24 2hgk h ALA 91 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hgk h ALA 91 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2hgk h ALA 91 CO 0.00 0.01 0.21 -0.07 0.00 0.00 0.00 179.25 179.41 2hgk h LEU 92 N 0.54 0.55 -0.21 0.00 3.38 -1.71 0.22 115.31 118.07 2hgk h LEU 92 Ca 0.28 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 92 Cb 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2hgk h LEU 92 CO -0.08 0.51 -0.17 0.40 0.09 0.00 0.00 178.44 179.18 2hgk h ILE 93 N 0.54 1.32 -0.90 1.22 2.04 -1.40 -2.70 117.51 117.64 2hgk h ILE 93 Ca 0.15 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 2hgk h ILE 93 Cb 0.10 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2hgk h ILE 93 CO -0.02 0.40 0.54 -0.07 0.00 0.00 0.00 178.15 179.00 2hgk h LEU 94 N 0.18 1.07 -0.83 1.44 3.38 -0.50 0.53 115.31 120.58 2hgk h LEU 94 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 94 Cb 0.70 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2hgk h LEU 94 CO 0.04 0.82 0.43 0.00 0.09 0.00 0.00 178.44 179.83 2hgk h ALA 95 N 1.36 1.07 -0.28 1.53 0.00 -0.50 0.41 119.26 122.85 2hgk h ALA 95 Ca 0.32 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2hgk h ALA 95 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2hgk h ALA 95 CO -0.06 0.60 -0.28 0.93 0.00 0.00 0.00 179.25 180.44 2hgk h GLU 96 N 1.17 0.56 0.05 0.00 4.39 -1.04 -1.57 114.58 118.14 2hgk h GLU 96 Ca 0.29 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2hgk h GLU 96 Cb 0.07 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2hgk h GLU 96 CO -0.04 0.78 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.50 2hgk h LEU 97 N 0.49 -0.06 -2.10 1.33 3.38 -0.03 -0.15 115.31 118.17 2hgk h LEU 97 Ca 0.07 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2hgk h LEU 97 Cb 0.73 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2hgk h LEU 97 CO 0.06 0.34 -0.05 -0.33 0.09 0.00 0.00 178.44 178.55 2hgk h GLU 98 N -0.47 0.00 0.01 1.13 5.08 -0.21 0.29 114.58 120.41 2hgk h GLU 98 Ca -0.01 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2hgk h GLU 98 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 2hgk h GLU 98 CO 0.01 0.05 -1.05 -0.22 -1.00 0.00 0.00 179.01 176.80 2hgk h LYS 99 N 0.00 0.67 0.12 2.33 3.64 -1.12 -1.23 116.57 120.98 2hgk h LYS 99 Ca -0.00 -0.73 -0.01 0.00 -1.27 0.00 0.00 60.65 58.64 2hgk h LYS 99 Cb 0.10 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2hgk h LYS 99 CO 0.01 1.31 -0.06 1.25 -2.27 0.00 0.00 179.45 179.69 2hgk h LEU 100 N 0.37 -0.14 -1.63 5.20 5.85 0.16 -2.75 115.31 122.37 2hgk h LEU 100 Ca -0.13 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2hgk h LEU 100 Cb 1.70 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 2hgk h LEU 100 CO 0.20 0.11 0.34 0.44 -0.34 0.00 0.00 178.44 179.19 2hgk h ASP 101 N -0.39 0.40 0.56 1.25 3.32 -0.55 0.49 116.42 121.50 2hgk h ASP 101 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2hgk h ASP 101 Cb 0.32 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2hgk h ASP 101 CO 0.03 0.26 -0.10 0.00 -1.72 0.00 0.00 179.24 177.71 2hgk h ALA 102 N 1.72 1.14 0.17 3.45 0.00 -1.00 -0.07 119.26 124.68 2hgk h ALA 102 Ca 0.22 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 2hgk h ALA 102 Cb 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.07 2hgk h ALA 102 CO -0.06 0.13 -1.36 -0.07 0.00 0.00 0.00 179.25 177.89 2hgk h LEU 103 N 0.00 0.57 -0.86 0.00 3.38 -0.62 -2.40 115.31 115.38 2hgk h LEU 103 Ca -0.00 -0.63 -0.12 0.00 0.09 0.00 0.00 57.88 57.22 2hgk h LEU 103 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2hgk h LEU 103 CO 0.01 1.49 -0.53 -0.26 0.09 0.00 0.00 178.44 179.25 2hgk h PHE 104 N 0.10 0.12 -0.33 1.13 -1.00 -1.11 -1.96 116.94 113.89 2hgk h PHE 104 Ca -0.19 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.55 2hgk h PHE 104 Cb 2.05 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.58 2hgk h PHE 104 CO 0.09 0.61 0.00 0.00 -1.61 0.00 0.00 178.31 177.40 2hgk n ALA 105 N -2.45 2.58 -0.06 2.45 0.00 -0.08 -4.28 120.51 118.66 2hgk n ALA 105 Ca -0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.70 2hgk n ALA 105 Cb 0.55 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2hgk n ALA 105 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hgk n ASP 106 N 0.48 1.36 -4.55 0.00 -0.08 -0.75 -4.84 116.55 108.18 2hgk n ASP 106 Ca 0.12 0.25 -0.42 0.00 -1.51 0.00 0.00 54.79 53.23 2hgk n ASP 106 Cb 0.37 -0.67 -0.03 0.00 2.34 0.00 0.00 41.12 43.13 2hgk n ASP 106 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2hgk s ASP 107 N -5.33 6.30 -0.24 1.67 2.15 -1.14 -4.84 116.67 115.25 2hgk s ASP 107 Ca -0.20 -0.28 -0.05 0.00 0.43 0.00 0.00 52.55 52.45 2hgk s ASP 107 Cb 0.03 -2.52 -0.17 0.00 -0.30 0.00 0.00 42.92 39.95 2hgk s ASP 107 CO 0.29 -1.55 -0.13 0.00 -0.17 0.00 0.00 175.17 173.62 2hgk n ALA 108 N 8.48 1.24 -3.95 3.66 0.00 -1.26 -4.63 120.51 124.05 2hgk n ALA 108 Ca 0.04 -0.97 -0.31 0.00 0.00 0.00 0.00 53.44 52.20 2hgk n ALA 108 Cb 0.48 -0.17 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 2hgk n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hgk s SER 109 N -6.88 4.36 -0.21 0.00 1.04 -1.26 -4.99 113.70 105.76 2hgk s SER 109 Ca -0.33 -1.72 -0.27 0.00 0.48 0.00 0.00 55.95 54.11 2hgk s SER 109 Cb 0.10 -1.36 -0.00 0.00 0.10 0.00 0.00 66.02 64.86 2hgk s SER 109 CO 0.60 -0.33 0.93 -0.22 0.98 0.00 0.00 173.24 175.21 2hgk s LEU 110 N 1.19 4.12 0.15 2.42 2.96 -1.26 -5.00 118.68 123.25 2hgk s LEU 110 Ca 0.04 1.25 -0.31 0.00 -0.22 0.00 0.00 54.13 54.89 2hgk s LEU 110 Cb -0.19 -3.38 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 2hgk s LEU 110 CO -0.11 -0.55 1.54 -1.61 -1.32 0.00 0.00 176.35 174.31 2hgk s GLU 111 N 2.77 4.23 -1.02 1.98 2.02 -1.26 -4.93 118.70 122.49 2hgk s GLU 111 Ca 0.41 2.30 -0.17 0.00 0.02 0.00 0.00 54.97 57.53 2hgk s GLU 111 Cb -0.16 -3.21 0.15 0.00 0.10 0.00 0.00 34.13 31.01 2hgk s GLU 111 CO 0.09 -0.58 1.22 -1.01 0.02 0.00 0.00 175.26 175.00 2hgk s HIS 112 N 1.27 3.25 -0.54 1.61 3.76 -1.26 -4.97 115.29 118.40 2hgk s HIS 112 Ca 0.69 -1.65 -0.22 0.00 -0.15 0.00 0.00 55.06 53.74 2hgk s HIS 112 Cb -0.42 -4.29 0.05 0.00 1.11 0.00 0.00 32.58 29.04 2hgk s HIS 112 CO 0.31 -1.45 0.81 -1.58 -0.85 0.00 0.00 174.74 171.98 2hgk s HIS 113 N 2.28 2.89 1.02 1.40 5.04 -1.26 -5.04 115.29 121.62 2hgk s HIS 113 Ca 0.36 -0.30 -0.14 0.00 -1.54 0.00 0.00 55.06 53.44 2hgk s HIS 113 Cb -0.04 -3.88 0.20 0.00 0.04 0.00 0.00 32.58 28.90 2hgk s HIS 113 CO -0.06 -1.25 1.12 -1.01 -2.34 0.00 0.00 174.74 171.19 2hgk s HIS 114 N 3.41 1.85 -0.10 3.88 3.76 -1.26 -4.96 115.29 121.87 2hgk s HIS 114 Ca 0.23 0.82 0.14 0.00 -0.15 0.00 0.00 55.06 56.09 2hgk s HIS 114 Cb -0.16 -3.37 -0.01 0.00 1.11 0.00 0.00 32.58 30.14 2hgk s HIS 114 CO 0.15 -2.98 1.34 1.25 -0.85 0.00 0.00 174.74 173.65 2hgk h HIS 115 N -1.95 0.00 -2.84 1.40 2.76 -2.06 -3.45 115.15 109.01 2hgk h HIS 115 Ca -0.52 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.54 2hgk h HIS 115 Cb 1.32 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 30.07 2hgk h HIS 115 CO -0.25 0.61 -0.22 -1.58 -1.30 0.00 0.00 177.93 175.19 2hgk s HIS 116 N -2.90 -0.31 -2.50 5.26 5.65 -1.26 -5.36 115.29 113.86 2hgk s HIS 116 Ca 0.03 0.62 0.28 0.00 0.25 0.00 0.00 55.06 56.24 2hgk s HIS 116 Cb 0.08 0.15 1.06 0.00 -1.18 0.00 0.00 32.58 32.68 2hgk s HIS 116 CO 0.77 -0.35 1.75 0.72 -0.65 0.00 0.00 174.74 176.97