#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk h THR 2 N 0.00 0.76 -0.43 2.03 2.02 -2.02 -0.92 112.91 114.35 2hgk h THR 2 Ca 0.00 -0.11 0.12 0.00 0.77 0.00 0.00 66.41 67.19 2hgk h THR 2 Cb 0.00 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2hgk h THR 2 CO 0.00 0.06 0.31 0.74 0.37 0.00 0.00 175.52 177.00 2hgk h THR 3 N 0.32 0.79 -0.23 3.16 2.02 -2.00 -1.76 112.91 115.20 2hgk h THR 3 Ca 0.36 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.47 2hgk h THR 3 Cb 0.94 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2hgk h THR 3 CO -0.10 0.00 -0.13 0.45 0.37 0.00 0.00 175.52 176.11 2hgk h HIS 4 N 0.00 0.41 0.00 3.16 -0.00 -1.53 -2.29 115.15 114.91 2hgk h HIS 4 Ca 0.20 -0.06 -0.23 0.00 -0.00 0.00 0.00 60.37 60.28 2hgk h HIS 4 Cb 0.82 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 28.08 2hgk h HIS 4 CO -0.00 0.51 -1.22 0.22 -0.00 0.00 0.00 177.93 177.45 2hgk h ASP 5 N 0.36 0.00 -0.48 2.45 3.58 -1.50 -3.23 116.42 117.61 2hgk h ASP 5 Ca 0.07 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2hgk h ASP 5 Cb 0.45 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2hgk h ASP 5 CO 0.03 1.00 0.19 0.03 -2.88 0.00 0.00 179.24 177.60 2hgk h ARG 6 N 0.00 0.77 -0.36 0.28 3.08 -1.29 -1.27 114.38 115.59 2hgk h ARG 6 Ca -0.10 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2hgk h ARG 6 Cb 1.84 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 2hgk h ARG 6 CO 0.11 0.65 0.02 0.28 -1.07 0.00 0.00 179.97 179.97 2hgk h VAL 7 N 0.76 1.20 -0.69 2.04 2.07 -1.45 -2.32 116.25 117.85 2hgk h VAL 7 Ca 0.18 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2hgk h VAL 7 Cb 0.18 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2hgk h VAL 7 CO -0.01 0.26 0.23 -0.09 0.02 0.00 0.00 177.57 177.98 2hgk h ARG 8 N 0.54 1.05 -0.75 1.57 2.43 -1.26 0.05 114.38 118.01 2hgk h ARG 8 Ca 0.12 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2hgk h ARG 8 Cb 0.31 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2hgk h ARG 8 CO 0.01 0.89 0.27 -0.07 -1.51 0.00 0.00 179.97 179.55 2hgk h LEU 9 N 1.01 1.05 -0.72 3.80 3.38 -0.99 -1.99 115.31 120.85 2hgk h LEU 9 Ca 0.23 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2hgk h LEU 9 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2hgk h LEU 9 CO -0.01 0.95 -0.32 -0.61 0.09 0.00 0.00 178.44 178.53 2hgk h GLN 10 N 1.09 0.62 -0.78 1.13 -0.00 -0.97 -2.43 115.11 113.78 2hgk h GLN 10 Ca 0.25 -0.28 0.03 0.00 -0.00 0.00 0.00 58.65 58.65 2hgk h GLN 10 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.67 2hgk h GLN 10 CO -0.02 0.87 0.51 -0.07 0.00 0.00 0.00 178.83 180.12 2hgk h LEU 11 N 0.53 0.83 -1.04 -2.39 3.38 -0.47 -0.38 115.31 115.76 2hgk h LEU 11 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 11 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2hgk h LEU 11 CO 0.07 0.57 -0.36 1.56 0.09 0.00 0.00 178.44 180.37 2hgk h GLN 12 N 0.96 0.21 -0.64 1.13 4.20 -0.95 0.14 115.11 120.17 2hgk h GLN 12 Ca 0.31 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2hgk h GLN 12 Cb 0.03 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2hgk h GLN 12 CO -0.09 0.56 0.17 0.00 -0.67 0.00 0.00 178.83 178.80 2hgk h ALA 13 N 1.44 0.84 -0.57 3.87 0.00 -0.68 -0.12 119.26 124.05 2hgk h ALA 13 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2hgk h ALA 13 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hgk h ALA 13 CO 0.06 0.54 0.05 -0.07 0.00 0.00 0.00 179.25 179.83 2hgk h LEU 14 N 0.93 0.89 -0.46 0.00 3.38 -0.59 0.14 115.31 119.61 2hgk h LEU 14 Ca 0.20 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2hgk h LEU 14 Cb 0.34 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2hgk h LEU 14 CO -0.00 0.92 0.27 -0.08 0.09 0.00 0.00 178.44 179.64 2hgk h GLU 15 N 0.87 0.53 -0.17 1.13 4.81 -0.33 0.63 114.58 122.05 2hgk h GLU 15 Ca 0.17 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 2hgk h GLU 15 Cb 0.44 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2hgk h GLU 15 CO 0.02 0.35 -0.40 0.00 -0.73 0.00 0.00 179.01 178.24 2hgk h ALA 16 N 1.20 0.99 -0.10 2.92 0.00 -0.73 -1.50 119.26 122.04 2hgk h ALA 16 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2hgk h ALA 16 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2hgk h ALA 16 CO -0.08 0.62 0.05 1.25 0.00 0.00 0.00 179.25 181.08 2hgk h LEU 17 N 0.33 0.13 -1.65 0.00 5.85 -0.08 0.17 115.31 120.06 2hgk h LEU 17 Ca 0.03 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2hgk h LEU 17 Cb 0.85 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2hgk h LEU 17 CO 0.07 0.19 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.09 2hgk h LEU 18 N 0.05 0.00 0.13 2.25 3.38 -0.81 0.17 115.31 120.49 2hgk h LEU 18 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2hgk h LEU 18 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2hgk h LEU 18 CO -0.01 0.20 -0.06 -0.09 0.09 0.00 0.00 178.44 178.57 2hgk h ARG 19 N 0.00 -0.17 -0.23 1.13 2.43 -0.59 0.86 114.38 117.80 2hgk h ARG 19 Ca -0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2hgk h ARG 19 Cb 0.42 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2hgk h ARG 19 CO 0.03 0.14 0.09 0.93 -1.51 0.00 0.00 179.97 179.64 2hgk h GLU 20 N -0.49 0.35 -0.46 0.20 5.08 -0.24 -2.83 114.58 116.20 2hgk h GLU 20 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2hgk h GLU 20 Cb 0.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2hgk h GLU 20 CO 0.03 0.41 0.00 0.72 -1.00 0.00 0.00 179.01 179.17 2hgk n HIS 21 N -4.79 0.43 -3.41 4.33 8.25 0.57 -4.89 115.22 115.71 2hgk n HIS 21 Ca -0.03 -0.18 -0.24 0.00 -0.26 0.00 0.00 57.72 57.01 2hgk n HIS 21 Cb 0.14 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.18 -3.81 -0.32 -0.41 6.02 -0.43 -4.81 117.38 113.80 2hgk n GLN 22 Ca 0.08 0.54 0.08 0.00 -0.01 0.00 0.00 57.00 57.70 2hgk n GLN 22 Cb 0.32 -5.29 0.24 0.00 1.02 0.00 0.00 30.24 26.53 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 -4.11 0.81 -3.22 1.08 8.25 0.16 -4.84 115.22 113.35 2hgk n HIS 23 Ca -0.02 -0.54 -0.45 0.00 -0.26 0.00 0.00 57.72 56.45 2hgk n HIS 23 Cb 0.55 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.25 3.11 0.94 4.41 -0.11 -1.13 -4.88 118.94 120.04 2hgk s TRP 24 Ca 0.37 -1.00 -0.12 0.00 1.22 0.00 0.00 56.10 56.58 2hgk s TRP 24 Cb 0.21 -3.77 0.15 0.00 -1.50 0.00 0.00 33.47 28.57 2hgk s TRP 24 CO 0.22 -1.11 1.09 1.03 -4.62 0.00 0.00 176.95 173.56 2hgk s ARG 25 N 2.21 0.90 0.00 5.86 0.52 -1.26 -4.96 118.95 122.21 2hgk s ARG 25 Ca 0.08 0.82 0.13 0.00 -0.52 0.00 0.00 55.73 56.24 2hgk s ARG 25 Cb -0.25 -1.77 0.28 0.00 0.52 0.00 0.00 34.95 33.73 2hgk s ARG 25 CO 0.06 -2.49 1.18 0.27 0.02 0.00 0.00 175.30 174.34 2hgk n ASN 26 N -4.05 2.78 -4.67 0.23 6.94 -1.26 -5.03 115.26 110.20 2hgk n ASN 26 Ca 0.07 -1.86 -0.29 0.00 -0.02 0.00 0.00 54.58 52.48 2hgk n ASN 26 Cb 0.55 -0.19 0.18 0.00 -2.36 0.00 0.00 39.78 37.96 2hgk n ASN 26 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2hgk s ASP 27 N -1.03 2.58 -0.06 0.53 1.11 -1.26 -5.06 116.67 113.49 2hgk s ASP 27 Ca 0.23 1.21 -0.03 0.00 0.18 0.00 0.00 52.55 54.14 2hgk s ASP 27 Cb 0.13 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.21 2hgk s ASP 27 CO 0.18 -3.16 0.09 -1.83 1.18 0.00 0.00 175.17 171.62 2hgk s GLU 28 N -4.95 3.18 0.26 8.23 -1.05 -1.26 -5.11 118.70 118.01 2hgk s GLU 28 Ca 0.65 -0.35 -0.19 0.00 -0.15 0.00 0.00 54.97 54.93 2hgk s GLU 28 Cb -0.19 -2.96 -0.09 0.00 -0.44 0.00 0.00 34.13 30.46 2hgk s GLU 28 CO 0.58 0.70 0.76 -1.25 0.95 0.00 0.00 175.26 177.00 2hgk s PRO 29 N -1.33 4.23 0.02 -4.83 0.04 -1.26 -5.09 135.00 126.78 2hgk s PRO 29 Ca 0.18 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.14 2hgk s PRO 29 Cb -0.12 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2hgk s PRO 29 CO 0.08 0.32 -0.07 -0.65 0.04 0.00 0.00 177.00 176.72 2hgk s GLN 30 N -2.24 2.50 0.45 4.56 1.11 -1.26 -5.02 119.66 119.77 2hgk s GLN 30 Ca 0.47 -0.76 0.23 0.00 0.01 0.00 0.00 55.36 55.30 2hgk s GLN 30 Cb -0.15 -2.48 1.22 0.00 -1.01 0.00 0.00 33.01 30.59 2hgk s GLN 30 CO 0.20 0.59 1.85 -1.35 0.01 0.00 0.00 175.29 176.59 2hgk h PRO 31 N 4.40 0.26 -0.04 2.91 0.11 -1.98 0.17 132.00 137.83 2hgk h PRO 31 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2hgk h PRO 31 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2hgk h PRO 31 CO 0.54 0.17 -0.17 1.25 -0.21 0.00 0.00 178.00 179.58 2hgk h HIS 32 N 0.27 0.06 0.00 0.65 2.76 -2.00 -0.05 115.15 116.84 2hgk h HIS 32 Ca 0.49 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.64 2hgk h HIS 32 Cb 1.44 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.38 2hgk h HIS 32 CO -0.00 0.23 -0.07 1.96 -1.30 0.00 0.00 177.93 178.76 2hgk h GLN 33 N 0.06 0.00 -0.35 5.26 4.20 -1.03 -1.84 115.11 121.40 2hgk h GLN 33 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2hgk h GLN 33 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2hgk h GLN 33 CO 0.02 0.07 0.00 1.19 -0.67 0.00 0.00 178.83 179.44 2hgk n PHE 34 N -3.22 0.45 0.24 2.96 3.72 -0.08 -4.08 117.46 117.46 2hgk n PHE 34 Ca -0.00 -0.23 0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2hgk n PHE 34 Cb 0.31 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.00 2hgk n PHE 34 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2hgk h ASN 35 N 4.04 0.00 -1.11 4.37 -0.26 -0.82 -3.41 115.58 118.39 2hgk h ASN 35 Ca 0.00 -0.01 -0.49 0.00 -0.56 0.00 0.00 56.30 55.24 2hgk h ASN 35 Cb 0.89 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.07 2hgk h ASN 35 CO 0.00 0.00 1.21 -0.44 -1.06 0.00 0.00 177.43 177.14 2hgk s SER 36 N -5.81 5.98 0.00 5.81 0.01 -1.26 -4.78 113.70 113.65 2hgk s SER 36 Ca 0.06 -1.05 0.19 0.00 1.31 0.00 0.00 55.95 56.47 2hgk s SER 36 Cb 0.07 -2.56 0.84 0.00 0.21 0.00 0.00 66.02 64.58 2hgk s SER 36 CO 0.69 -1.98 1.62 1.07 0.41 0.00 0.00 173.24 175.06 2hgk n THR 37 N 7.19 0.64 -1.81 1.44 5.66 -1.26 -4.32 114.28 121.83 2hgk n THR 37 Ca 0.33 0.16 -0.41 0.00 -3.05 0.00 0.00 64.05 61.08 2hgk n THR 37 Cb 0.50 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 2hgk n THR 37 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2hgk s GLN 38 N -2.98 4.06 0.20 1.09 0.74 -1.26 -4.89 119.66 116.62 2hgk s GLN 38 Ca 0.10 2.55 -0.31 0.00 0.05 0.00 0.00 55.36 57.75 2hgk s GLN 38 Cb 0.13 -2.93 -0.16 0.00 1.10 0.00 0.00 33.01 31.15 2hgk s GLN 38 CO 0.35 -0.56 1.01 -2.30 -0.55 0.00 0.00 175.29 173.24 2hgk n PRO 39 N 0.39 0.96 -0.64 1.67 -0.02 -1.26 -0.88 135.00 135.22 2hgk n PRO 39 Ca 0.01 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2hgk n PRO 39 Cb 0.39 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2hgk n PRO 39 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2hgk n PHE 40 N 0.89 0.00 -3.31 6.00 3.72 -1.26 -3.49 117.46 120.00 2hgk n PHE 40 Ca 0.14 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.30 2hgk n PHE 40 Cb 0.26 -0.62 0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.00 -2.08 -0.21 1.38 3.01 -0.06 -4.51 117.46 112.99 2hgk n PHE 41 Ca 0.00 0.62 0.23 0.00 1.01 0.00 0.00 57.45 59.31 2hgk n PHE 41 Cb 0.00 -4.07 0.60 0.00 -0.01 0.00 0.00 39.48 36.01 2hgk n PHE 41 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 2hgk h MET 42 N -1.53 0.22 0.33 -1.08 2.86 -1.71 0.78 114.93 114.80 2hgk h MET 42 Ca -0.52 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 2hgk h MET 42 Cb 1.35 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2hgk h MET 42 CO 0.57 0.15 -0.16 -0.44 1.06 0.00 0.00 176.91 178.09 2hgk h ASP 43 N 0.23 -0.38 0.00 1.22 3.32 -1.90 -3.37 116.42 115.54 2hgk h ASP 43 Ca 0.44 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 2hgk h ASP 43 Cb 1.37 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 41.00 2hgk h ASP 43 CO -0.11 -0.01 -2.06 0.35 -1.72 0.00 0.00 179.24 175.68 2hgk n THR 44 N -5.15 0.41 -4.33 0.35 -2.24 -1.05 -4.97 114.28 97.30 2hgk n THR 44 Ca -0.10 -0.58 -0.28 0.00 -2.27 0.00 0.00 64.05 60.83 2hgk n THR 44 Cb 0.27 -0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 2hgk n THR 44 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hgk s MET 45 N -3.14 1.81 0.02 -0.78 -1.94 0.24 -4.94 119.30 110.57 2hgk s MET 45 Ca -0.08 -1.31 -0.30 0.00 -1.71 0.00 0.00 55.69 52.29 2hgk s MET 45 Cb 0.11 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 2hgk s MET 45 CO 0.84 0.44 0.99 -2.00 -0.01 0.00 0.00 175.02 175.29 2hgk s GLU 46 N -2.55 4.57 0.30 2.03 2.56 -1.26 -4.09 118.70 120.25 2hgk s GLU 46 Ca 0.21 1.45 0.06 0.00 0.00 0.00 0.00 54.97 56.69 2hgk s GLU 46 Cb -0.09 -3.44 0.76 0.00 2.00 0.00 0.00 34.13 33.35 2hgk s GLU 46 CO 0.12 -0.04 1.75 -1.00 -0.56 0.00 0.00 175.26 175.54 2hgk h PRO 47 N 6.66 0.63 0.00 4.30 0.13 -1.89 0.18 132.00 142.02 2hgk h PRO 47 Ca -0.41 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2hgk h PRO 47 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2hgk h PRO 47 CO 0.75 0.42 0.00 1.28 -0.23 0.00 0.00 178.00 180.22 2hgk n LEU 48 N -4.85 0.66 -0.39 1.56 7.99 -1.26 -2.18 117.00 118.54 2hgk n LEU 48 Ca 0.24 0.65 0.06 0.00 -0.01 0.00 0.00 56.01 56.94 2hgk n LEU 48 Cb 0.62 -0.54 0.03 0.00 -0.11 0.00 0.00 43.42 43.41 2hgk n LEU 48 CO 0.19 -0.50 0.35 -0.62 -1.51 0.00 0.00 177.39 175.30 2hgk n GLU 49 N -2.21 1.19 0.15 3.23 1.02 0.51 -4.39 120.64 120.13 2hgk n GLU 49 Ca 0.03 -0.99 0.02 0.00 -0.02 0.00 0.00 57.16 56.20 2hgk n GLU 49 Cb 0.25 -1.19 0.37 0.00 -0.02 0.00 0.00 31.44 30.86 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2hgk h TRP 50 N 1.91 0.14 -0.23 -0.32 7.01 -0.73 -2.57 115.95 121.16 2hgk h TRP 50 Ca 0.00 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.99 2hgk h TRP 50 Cb 0.45 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 2hgk h TRP 50 CO 0.00 0.38 0.15 -0.07 -2.79 0.00 0.00 178.44 176.11 2hgk h LEU 51 N 0.12 0.22 0.00 0.65 3.38 -1.77 -2.06 115.31 115.85 2hgk h LEU 51 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hgk h LEU 51 Cb 0.52 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2hgk h LEU 51 CO 0.04 0.16 0.00 1.67 0.09 0.00 0.00 178.44 180.40 2hgk n GLN 52 N -4.50 0.00 0.00 1.13 7.27 -0.97 -2.71 117.38 117.60 2hgk n GLN 52 Ca 0.01 0.46 0.12 0.00 0.07 0.00 0.00 57.00 57.66 2hgk n GLN 52 Cb 0.11 -1.16 0.20 0.00 2.41 0.00 0.00 30.24 31.80 2hgk n GLN 52 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2hgk n TRP 53 N -1.89 0.00 -0.00 3.69 7.02 -1.25 -4.37 117.44 120.64 2hgk n TRP 53 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 2hgk n TRP 53 Cb 0.00 -0.21 -0.00 0.00 -2.42 0.00 0.00 31.31 28.67 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2hgk n VAL 54 N -1.49 0.32 0.04 -0.99 0.31 -0.97 -4.65 118.33 110.90 2hgk n VAL 54 Ca 0.05 0.25 -0.06 0.00 -0.01 0.00 0.00 64.34 64.58 2hgk n VAL 54 Cb 0.33 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.11 -0.56 0.38 7.52 5.85 -1.46 0.10 115.31 127.04 2hgk h LEU 55 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2hgk h LEU 55 Cb 0.11 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2hgk h LEU 55 CO 0.00 -0.19 -0.26 0.40 -0.34 0.00 0.00 178.44 178.05 2hgk h ILE 56 N -0.26 0.45 -0.61 4.05 2.04 -1.72 -0.51 117.51 120.96 2hgk h ILE 56 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2hgk h ILE 56 Cb 0.26 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2hgk h ILE 56 CO -0.10 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 177.79 2hgk h PRO 57 N -0.63 0.77 -0.53 2.37 0.11 -1.75 -1.10 132.00 131.24 2hgk h PRO 57 Ca -0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2hgk h PRO 57 Cb 0.53 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2hgk h PRO 57 CO 0.02 0.51 0.20 -0.09 -0.21 0.00 0.00 178.00 178.43 2hgk h ARG 58 N 0.80 0.79 0.00 1.05 2.43 -0.65 -2.48 114.38 116.31 2hgk h ARG 58 Ca 0.23 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2hgk h ARG 58 Cb -0.05 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2hgk h ARG 58 CO -0.07 0.70 -0.34 0.52 -1.51 0.00 0.00 179.97 179.27 2hgk h MET 59 N 0.71 0.00 -0.65 0.20 2.86 -0.79 -2.08 114.93 115.18 2hgk h MET 59 Ca 0.17 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2hgk h MET 59 Cb 0.21 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2hgk h MET 59 CO -0.01 0.34 0.43 0.45 1.06 0.00 0.00 176.91 179.17 2hgk h HIS 60 N 0.00 0.81 -0.46 -0.22 3.86 -0.75 0.20 115.15 118.59 2hgk h HIS 60 Ca -0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2hgk h HIS 60 Cb 0.73 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2hgk h HIS 60 CO 0.00 0.50 0.19 -0.44 0.86 0.00 0.00 177.93 179.03 2hgk h ASP 61 N 0.86 0.63 -0.32 2.45 5.19 -1.25 0.19 116.42 124.18 2hgk h ASP 61 Ca 0.25 -0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2hgk h ASP 61 Cb -0.07 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 2hgk h ASP 61 CO -0.07 0.63 0.18 0.25 -3.12 0.00 0.00 179.24 177.12 2hgk h LEU 62 N 0.60 0.30 -0.03 1.55 5.85 -0.81 -1.18 115.31 121.58 2hgk h LEU 62 Ca 0.15 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.65 2hgk h LEU 62 Cb 0.19 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.18 2hgk h LEU 62 CO -0.01 0.22 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.37 2hgk h LEU 63 N 0.38 0.82 -0.89 2.25 3.38 -0.55 -1.57 115.31 119.14 2hgk h LEU 63 Ca 0.12 -0.72 0.01 0.00 0.09 0.00 0.00 57.88 57.38 2hgk h LEU 63 Cb -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2hgk h LEU 63 CO -0.06 1.42 0.57 -0.78 0.09 0.00 0.00 178.44 179.69 2hgk h ASP 64 N 0.29 1.03 0.67 -0.43 1.82 -0.93 -0.37 116.42 118.51 2hgk h ASP 64 Ca -0.10 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2hgk h ASP 64 Cb 1.53 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2hgk h ASP 64 CO 0.17 0.76 0.00 -3.20 -1.61 0.00 0.00 179.24 175.36 2hgk n ASN 65 N -4.45 0.21 -2.78 2.28 2.85 -0.45 -4.86 115.26 108.05 2hgk n ASN 65 Ca 0.10 0.54 -0.21 0.00 -0.11 0.00 0.00 54.58 54.90 2hgk n ASN 65 Cb 0.02 -0.59 0.03 0.00 1.24 0.00 0.00 39.78 40.49 2hgk n ASN 65 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2hgk n LYS 66 N -1.72 -4.53 -2.50 1.20 5.02 -0.15 -4.96 118.16 110.51 2hgk n LYS 66 Ca 0.04 0.84 -0.40 0.00 -2.02 0.00 0.00 58.31 56.76 2hgk n LYS 66 Cb 0.22 -5.54 -0.04 0.00 -0.02 0.00 0.00 35.03 29.64 2hgk n LYS 66 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2hgk s GLN 67 N -5.60 4.64 0.22 1.97 -1.52 -0.63 -4.98 119.66 113.75 2hgk s GLN 67 Ca 0.28 1.76 -0.32 0.00 -1.95 0.00 0.00 55.36 55.13 2hgk s GLN 67 Cb -0.12 -3.22 -0.13 0.00 -0.22 0.00 0.00 33.01 29.31 2hgk s GLN 67 CO 0.35 0.19 1.48 -2.30 -0.25 0.00 0.00 175.29 174.75 2hgk n PRO 68 N 1.60 2.13 -1.83 2.91 -0.02 -1.26 -4.80 135.00 133.73 2hgk n PRO 68 Ca 0.00 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 2hgk n PRO 68 Cb 0.45 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.51 2hgk n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hgk s LEU 69 N 0.32 3.51 0.60 2.45 1.43 -1.26 -4.89 118.68 120.84 2hgk s LEU 69 Ca 0.71 2.25 0.30 0.00 -1.03 0.00 0.00 54.13 56.36 2hgk s LEU 69 Cb -0.65 -4.58 1.69 0.00 0.03 0.00 0.00 46.19 42.68 2hgk s LEU 69 CO 0.46 -1.72 2.09 1.55 0.23 0.00 0.00 176.35 178.96 2hgk h PRO 70 N 0.40 0.00 0.00 1.29 0.13 -1.85 -3.40 132.00 128.57 2hgk h PRO 70 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2hgk h PRO 70 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2hgk h PRO 70 CO 0.54 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 2hgk n GLY 71 N -1.38 1.91 2.97 1.56 0.00 -0.68 -4.86 105.19 104.70 2hgk n GLY 71 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk s ALA 72 N -3.34 -2.77 -0.43 4.61 0.00 -1.26 -4.36 121.76 114.20 2hgk s ALA 72 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2hgk s ALA 72 Cb 0.00 -2.79 0.15 0.00 0.00 0.00 0.00 23.12 20.48 2hgk s ALA 72 CO 0.00 -2.29 0.28 0.12 0.00 0.00 0.00 175.76 173.87 2hgk s PHE 73 N 1.52 1.52 -0.39 0.00 5.36 -1.26 -5.06 117.98 119.67 2hgk s PHE 73 Ca 0.20 -2.25 -0.04 0.00 -0.96 0.00 0.00 56.93 53.88 2hgk s PHE 73 Cb -0.00 -1.41 0.09 0.00 -0.34 0.00 0.00 43.02 41.35 2hgk s PHE 73 CO -0.08 -0.78 0.17 0.00 -1.46 0.00 0.00 175.22 173.06 2hgk s ALA 74 N 0.30 3.10 -0.42 11.12 0.00 -1.26 -4.17 121.76 130.42 2hgk s ALA 74 Ca 0.23 -2.30 0.14 0.00 0.00 0.00 0.00 51.96 50.04 2hgk s ALA 74 Cb -0.14 -2.35 -0.18 0.00 0.00 0.00 0.00 23.12 20.45 2hgk s ALA 74 CO -0.07 -1.66 0.50 1.33 0.00 0.00 0.00 175.76 175.86 2hgk n VAL 75 N 4.66 0.00 0.00 0.00 0.24 -1.26 -4.66 118.33 117.31 2hgk n VAL 75 Ca -0.06 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 61.91 2hgk n VAL 75 Cb 0.42 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 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 1.76 -0.20 -0.69 2.33 0.00 -1.89 -1.17 119.26 119.39 2hgk h ALA 76 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2hgk h ALA 76 Cb 0.47 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2hgk h ALA 76 CO 0.00 -0.69 0.46 -1.00 0.00 0.00 0.00 179.25 178.02 2hgk h PRO 77 N -0.29 0.47 -0.05 0.00 0.13 -1.96 -0.25 132.00 130.05 2hgk h PRO 77 Ca 0.10 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 2hgk h PRO 77 Cb 0.44 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2hgk h PRO 77 CO -0.29 0.31 -0.20 -0.92 -0.23 0.00 0.00 178.00 176.68 2hgk h TYR 78 N 0.49 0.30 0.00 1.56 3.20 -1.67 -3.19 116.97 117.65 2hgk h TYR 78 Ca 0.33 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2hgk h TYR 78 Cb 0.61 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2hgk h TYR 78 CO -0.00 0.82 -0.24 1.88 -1.64 0.00 0.00 178.16 178.98 2hgk h TYR 79 N -0.31 0.00 -0.59 -3.82 -1.99 -0.67 0.14 116.97 109.74 2hgk h TYR 79 Ca -0.01 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.75 2hgk h TYR 79 Cb 0.83 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.53 2hgk h TYR 79 CO 0.13 0.24 0.39 1.49 -0.00 0.00 0.00 178.16 180.41 2hgk h GLU 80 N 0.00 0.67 0.07 4.88 4.81 -1.05 0.28 114.58 124.23 2hgk h GLU 80 Ca -0.00 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.86 2hgk h GLU 80 Cb 0.51 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2hgk h GLU 80 CO 0.03 0.44 -1.85 -1.33 -0.73 0.00 0.00 179.01 175.58 2hgk n MET 81 N -4.46 0.70 0.04 1.92 2.81 -0.60 -2.50 117.12 115.03 2hgk n MET 81 Ca 0.07 0.28 -0.09 0.00 -1.81 0.00 0.00 57.70 56.16 2hgk n MET 81 Cb 0.13 -1.75 0.06 0.00 -0.71 0.00 0.00 33.22 30.95 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 0.53 0.70 -0.01 3.04 0.00 -0.47 -2.65 119.26 120.40 2hgk h ALA 82 Ca -0.35 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2hgk h ALA 82 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2hgk h ALA 82 CO 0.09 0.72 -0.17 -0.11 0.00 0.00 0.00 179.25 179.78 2hgk n LEU 83 N -3.90 0.94 -0.49 0.00 7.94 0.95 -4.97 117.00 117.48 2hgk n LEU 83 Ca -0.03 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.64 2hgk n LEU 83 Cb 0.64 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2hgk n LEU 83 CO 0.47 0.17 -0.13 0.00 -1.11 0.00 0.00 177.39 176.79 2hgk n ALA 84 N -0.59 -2.40 0.21 1.96 0.00 -1.00 -4.39 120.51 114.30 2hgk n ALA 84 Ca 0.14 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.76 2hgk n ALA 84 Cb 0.33 -0.76 0.46 0.00 0.00 0.00 0.00 19.45 19.47 2hgk n ALA 84 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2hgk h THR 85 N 0.71 1.09 0.00 0.00 1.35 -1.75 -2.38 112.91 111.93 2hgk h THR 85 Ca 0.00 -0.99 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 2hgk h THR 85 Cb 0.00 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2hgk h THR 85 CO 0.00 0.27 -0.09 -0.78 -0.25 0.00 0.00 175.52 174.68 2hgk h ASP 86 N 0.00 0.00 -1.96 5.36 3.58 -1.89 -3.45 116.42 118.07 2hgk h ASP 86 Ca -0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 2hgk h ASP 86 Cb 0.53 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.59 2hgk h ASP 86 CO 0.04 0.09 1.23 1.57 -2.88 0.00 0.00 179.24 179.28 2hgk n HIS 87 N -3.23 2.21 -2.28 0.28 -0.00 -0.90 -4.92 115.22 106.38 2hgk n HIS 87 Ca 0.00 -0.05 -0.41 0.00 0.46 0.00 0.00 57.72 57.72 2hgk n HIS 87 Cb 0.34 -2.68 -0.03 0.00 -0.12 0.00 0.00 29.99 27.49 2hgk n HIS 87 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2hgk s PRO 88 N 4.79 4.48 -0.93 1.57 0.04 -1.26 -3.14 135.00 140.56 2hgk s PRO 88 Ca 0.96 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.98 2hgk s PRO 88 Cb -0.61 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2hgk s PRO 88 CO 0.47 -0.01 0.53 0.94 0.04 0.00 0.00 177.00 178.97 2hgk n GLN 89 N 1.04 -3.89 0.13 4.56 7.27 -1.26 -4.92 117.38 120.31 2hgk n GLN 89 Ca -0.00 0.55 0.06 0.00 0.07 0.00 0.00 57.00 57.68 2hgk n GLN 89 Cb 0.43 -4.69 0.03 0.00 2.41 0.00 0.00 30.24 28.43 2hgk n GLN 89 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2hgk h ARG 90 N -1.22 0.00 -0.34 3.69 0.11 -1.93 -3.37 114.38 111.31 2hgk h ARG 90 Ca -0.34 0.00 0.05 0.00 0.10 0.00 0.00 59.98 59.78 2hgk h ARG 90 Cb 1.23 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.27 2hgk h ARG 90 CO 0.36 0.25 0.09 0.00 0.10 0.00 0.00 179.97 180.76 2hgk h ALA 91 N 1.69 0.37 -0.89 0.08 0.00 -1.91 -0.94 119.26 117.66 2hgk h ALA 91 Ca -0.04 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2hgk h ALA 91 Cb 1.27 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 2hgk h ALA 91 CO 0.03 -0.32 0.55 -0.07 0.00 0.00 0.00 179.25 179.44 2hgk h LEU 92 N 0.21 0.83 -0.05 0.00 3.38 -1.99 0.44 115.31 118.13 2hgk h LEU 92 Ca 0.16 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2hgk h LEU 92 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2hgk h LEU 92 CO -0.19 0.51 -0.04 0.40 0.09 0.00 0.00 178.44 179.20 2hgk h ILE 93 N 0.96 1.36 -0.28 1.22 2.04 -1.59 -2.61 117.51 118.60 2hgk h ILE 93 Ca 0.41 -1.14 -0.13 0.00 1.00 0.00 0.00 64.86 64.99 2hgk h ILE 93 Cb 0.27 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2hgk h ILE 93 CO -0.21 0.31 -0.37 -0.07 0.00 0.00 0.00 178.15 177.81 2hgk h LEU 94 N -0.31 0.68 -0.51 1.44 3.38 -0.86 -2.24 115.31 116.89 2hgk h LEU 94 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2hgk h LEU 94 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2hgk h LEU 94 CO 0.01 0.99 0.34 0.00 0.09 0.00 0.00 178.44 179.87 2hgk h ALA 95 N 1.05 0.65 -0.10 1.53 0.00 -0.15 0.15 119.26 122.39 2hgk h ALA 95 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2hgk h ALA 95 Cb 0.89 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2hgk h ALA 95 CO 0.08 0.10 -0.31 0.93 0.00 0.00 0.00 179.25 180.05 2hgk h GLU 96 N 0.70 0.19 -0.40 0.00 4.39 -1.34 0.18 114.58 118.31 2hgk h GLU 96 Ca 0.19 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 2hgk h GLU 96 Cb -0.08 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2hgk h GLU 96 CO -0.04 0.49 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.96 2hgk h LEU 97 N 0.17 0.86 -0.70 1.33 3.38 -0.70 0.15 115.31 119.80 2hgk h LEU 97 Ca 0.02 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 2hgk h LEU 97 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2hgk h LEU 97 CO 0.05 1.08 -0.43 -0.33 0.09 0.00 0.00 178.44 178.89 2hgk h GLU 98 N 0.71 0.49 -0.21 1.13 5.08 -0.21 0.77 114.58 122.34 2hgk h GLU 98 Ca 0.09 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2hgk h GLU 98 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2hgk h GLU 98 CO 0.07 0.83 0.04 -0.22 -1.00 0.00 0.00 179.01 178.73 2hgk h LYS 99 N 0.40 0.35 -0.79 2.33 3.64 -0.38 0.33 116.57 122.46 2hgk h LYS 99 Ca 0.03 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2hgk h LYS 99 Cb 0.92 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 2hgk h LYS 99 CO 0.08 0.50 0.42 1.25 -2.27 0.00 0.00 179.45 179.43 2hgk h LEU 100 N 0.16 0.99 -0.45 5.20 5.85 -0.60 -1.50 115.31 124.96 2hgk h LEU 100 Ca 0.07 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2hgk h LEU 100 Cb 0.31 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2hgk h LEU 100 CO 0.00 0.81 0.18 -0.78 -0.34 0.00 0.00 178.44 178.31 2hgk h ASP 101 N 1.10 0.21 -0.95 1.25 3.58 -0.64 -1.25 116.42 119.71 2hgk h ASP 101 Ca 0.28 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.79 2hgk h ASP 101 Cb 0.05 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 2hgk h ASP 101 CO -0.04 0.15 0.63 0.00 -2.88 0.00 0.00 179.24 177.10 2hgk h ALA 102 N 1.28 1.34 -0.07 -0.78 0.00 -0.34 -0.54 119.26 120.16 2hgk h ALA 102 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hgk h ALA 102 Cb 0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2hgk h ALA 102 CO -0.19 0.60 0.02 -0.07 0.00 0.00 0.00 179.25 179.61 2hgk h LEU 103 N 1.26 0.10 -1.32 0.00 3.38 -0.68 0.22 115.31 118.27 2hgk h LEU 103 Ca 0.36 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2hgk h LEU 103 Cb -0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hgk h LEU 103 CO -0.09 0.26 -0.18 -0.26 0.09 0.00 0.00 178.44 178.26 2hgk h PHE 104 N -0.07 0.25 0.00 1.13 0.04 -0.84 -2.15 116.94 115.30 2hgk h PHE 104 Ca 0.02 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2hgk h PHE 104 Cb 0.19 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 2hgk h PHE 104 CO -0.01 0.41 -0.35 0.00 -0.60 0.00 0.00 178.31 177.76 2hgk h ALA 105 N 1.60 0.83 -0.01 2.45 0.00 -0.96 -1.81 119.26 121.35 2hgk h ALA 105 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2hgk h ALA 105 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hgk h ALA 105 CO 0.03 0.10 -0.75 0.22 0.00 0.00 0.00 179.25 178.85 2hgk h ASP 106 N 0.00 0.68 -3.00 0.00 3.58 -0.30 -3.41 116.42 113.97 2hgk h ASP 106 Ca -0.01 -0.74 -0.55 0.00 0.42 0.00 0.00 57.03 56.15 2hgk h ASP 106 Cb 1.06 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.83 2hgk h ASP 106 CO 0.01 1.33 1.00 -0.62 -2.88 0.00 0.00 179.24 178.09 2hgk s ASP 107 N -6.94 6.37 0.23 2.28 2.15 -1.04 -5.00 116.67 114.72 2hgk s ASP 107 Ca -0.12 0.01 -0.28 0.00 0.43 0.00 0.00 52.55 52.59 2hgk s ASP 107 Cb 0.05 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 40.03 2hgk s ASP 107 CO 0.86 -1.57 0.89 0.00 -0.17 0.00 0.00 175.17 175.18 2hgk s ALA 108 N 5.20 3.35 -0.44 3.66 0.00 -1.26 -4.19 121.76 128.08 2hgk s ALA 108 Ca 0.42 0.53 0.26 0.00 0.00 0.00 0.00 51.96 53.17 2hgk s ALA 108 Cb -0.08 -3.13 0.87 0.00 0.00 0.00 0.00 23.12 20.78 2hgk s ALA 108 CO 0.23 0.23 1.77 0.66 0.00 0.00 0.00 175.76 178.65 2hgk h SER 109 N 4.02 0.00 -3.59 0.00 4.64 -1.93 -3.42 113.55 113.27 2hgk h SER 109 Ca -0.46 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.20 2hgk h SER 109 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 2hgk h SER 109 CO 0.67 0.00 -0.01 -0.76 -0.87 0.00 0.00 176.83 175.86 2hgk s LEU 110 N -5.20 4.49 -0.04 5.97 1.43 -1.26 -4.91 118.68 119.16 2hgk s LEU 110 Ca 0.06 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2hgk s LEU 110 Cb 0.09 -2.61 -0.31 0.00 0.03 0.00 0.00 46.19 43.39 2hgk s LEU 110 CO 0.55 -0.61 0.77 1.05 0.23 0.00 0.00 176.35 178.34 2hgk h GLU 111 N 8.66 0.38 -6.28 1.70 9.09 -1.98 -3.45 114.58 122.70 2hgk h GLU 111 Ca -0.27 -0.65 -0.56 0.00 0.05 0.00 0.00 59.36 57.93 2hgk h GLU 111 Cb 1.11 0.24 -0.04 0.00 -1.65 0.00 0.00 28.75 28.41 2hgk h GLU 111 CO 0.82 1.31 0.03 -1.01 0.05 0.00 0.00 179.01 180.21 2hgk s HIS 112 N -2.53 3.81 0.30 2.06 3.76 -1.26 -4.94 115.29 116.49 2hgk s HIS 112 Ca -0.15 1.36 0.02 0.00 -0.15 0.00 0.00 55.06 56.14 2hgk s HIS 112 Cb 0.04 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 2hgk s HIS 112 CO 0.85 0.52 0.07 0.72 -0.85 0.00 0.00 174.74 176.06 2hgk n HIS 113 N 1.89 0.28 0.02 1.40 8.25 0.18 -5.01 115.22 122.24 2hgk n HIS 113 Ca -0.08 -1.79 -0.12 0.00 -0.26 0.00 0.00 57.72 55.47 2hgk n HIS 113 Cb 0.50 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 31.41 2hgk n HIS 113 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2hgk h HIS 114 N 1.39 0.17 0.00 4.41 3.86 -2.01 -3.30 115.15 119.67 2hgk h HIS 114 Ca -0.24 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2hgk h HIS 114 Cb 0.85 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2hgk h HIS 114 CO 0.00 1.19 -0.79 1.25 0.86 0.00 0.00 177.93 180.43 2hgk h HIS 115 N 0.03 0.00 -3.08 2.45 -0.00 -2.03 -3.42 115.15 109.10 2hgk h HIS 115 Ca -0.24 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.60 2hgk h HIS 115 Cb 1.97 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 28.98 2hgk h HIS 115 CO 0.03 0.00 -0.76 -1.58 -0.00 0.00 0.00 177.93 175.61 2hgk s HIS 116 N -3.31 0.98 -2.54 5.26 5.65 -1.24 -5.26 115.29 114.81 2hgk s HIS 116 Ca 0.02 -1.11 0.28 0.00 0.25 0.00 0.00 55.06 54.50 2hgk s HIS 116 Cb 0.09 -1.19 0.98 0.00 -1.18 0.00 0.00 32.58 31.29 2hgk s HIS 116 CO 0.76 -0.75 1.71 0.72 -0.65 0.00 0.00 174.74 176.52