#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk n THR 2 N 0.00 0.00 0.08 2.03 -2.24 -1.26 -4.99 114.28 107.90 2hgk n THR 2 Ca 0.00 -1.33 0.02 0.00 -2.27 0.00 0.00 64.05 60.47 2hgk n THR 2 Cb 0.00 -0.14 0.39 0.00 -2.10 0.00 0.00 70.33 68.48 2hgk n THR 2 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2hgk h THR 3 N 0.69 1.16 -0.87 4.28 2.02 -1.99 -2.30 112.91 115.90 2hgk h THR 3 Ca -0.22 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.40 2hgk h THR 3 Cb 0.77 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 2hgk h THR 3 CO 0.34 0.21 0.55 0.45 0.37 0.00 0.00 175.52 177.44 2hgk h HIS 4 N 0.34 1.02 -0.30 3.16 -0.00 -1.95 0.64 115.15 118.06 2hgk h HIS 4 Ca 0.08 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 2hgk h HIS 4 Cb 0.25 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2hgk h HIS 4 CO 0.01 0.55 -0.14 -0.44 -0.00 0.00 0.00 177.93 177.91 2hgk h ASP 5 N 1.03 0.64 -0.81 2.45 3.32 -1.81 -1.65 116.42 119.60 2hgk h ASP 5 Ca 0.36 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2hgk h ASP 5 Cb 0.09 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2hgk h ASP 5 CO -0.14 0.91 0.43 0.03 -1.72 0.00 0.00 179.24 178.74 2hgk h ARG 6 N 0.38 1.13 -0.53 3.56 3.08 -1.05 0.05 114.38 121.01 2hgk h ARG 6 Ca 0.07 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2hgk h ARG 6 Cb 0.66 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2hgk h ARG 6 CO 0.04 0.84 0.30 0.28 -1.07 0.00 0.00 179.97 180.36 2hgk h VAL 7 N 1.12 1.17 -0.42 2.04 2.07 -0.78 -0.11 116.25 121.35 2hgk h VAL 7 Ca 0.28 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2hgk h VAL 7 Cb 0.04 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2hgk h VAL 7 CO -0.04 0.18 0.24 -0.09 0.02 0.00 0.00 177.57 177.88 2hgk h ARG 8 N 0.70 0.47 -0.32 1.57 2.43 -0.74 -0.56 114.38 117.93 2hgk h ARG 8 Ca 0.19 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2hgk h ARG 8 Cb 0.03 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2hgk h ARG 8 CO -0.03 0.31 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.57 2hgk h LEU 9 N 0.48 0.52 -0.83 3.80 3.38 -0.69 -2.15 115.31 119.82 2hgk h LEU 9 Ca 0.17 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2hgk h LEU 9 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2hgk h LEU 9 CO -0.09 0.65 -0.53 -0.61 0.09 0.00 0.00 178.44 177.96 2hgk h GLN 10 N 0.50 0.15 -0.52 1.13 5.75 -0.45 -0.91 115.11 120.77 2hgk h GLN 10 Ca 0.10 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2hgk h GLN 10 Cb 0.47 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 2hgk h GLN 10 CO 0.03 0.64 0.26 -0.07 -2.65 0.00 0.00 178.83 177.04 2hgk h LEU 11 N 0.12 0.65 -0.65 -2.39 3.38 -0.49 -0.14 115.31 115.79 2hgk h LEU 11 Ca 0.00 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2hgk h LEU 11 Cb 0.97 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2hgk h LEU 11 CO 0.08 0.55 -0.57 1.56 0.09 0.00 0.00 178.44 180.15 2hgk h GLN 12 N 0.73 0.31 -0.09 1.13 4.20 -0.91 -1.28 115.11 119.20 2hgk h GLN 12 Ca 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2hgk h GLN 12 Cb 0.07 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2hgk h GLN 12 CO -0.03 0.80 0.02 0.00 -0.67 0.00 0.00 178.83 178.95 2hgk h ALA 13 N 1.16 0.13 -0.72 3.87 0.00 -0.18 0.20 119.26 123.72 2hgk h ALA 13 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2hgk h ALA 13 Cb 1.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2hgk h ALA 13 CO 0.09 -0.23 0.44 1.25 0.00 0.00 0.00 179.25 180.80 2hgk h LEU 14 N -0.07 0.86 -0.31 0.00 5.85 -1.06 0.08 115.31 120.64 2hgk h LEU 14 Ca 0.03 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2hgk h LEU 14 Cb 0.28 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2hgk h LEU 14 CO 0.00 0.66 0.13 -0.08 -0.34 0.00 0.00 178.44 178.82 2hgk h GLU 15 N 0.98 0.28 -0.56 1.25 4.81 -1.01 0.24 114.58 120.57 2hgk h GLU 15 Ca 0.26 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 2hgk h GLU 15 Cb -0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2hgk h GLU 15 CO -0.05 0.18 0.05 0.00 -0.73 0.00 0.00 179.01 178.47 2hgk h ALA 16 N 1.18 1.03 -0.57 2.92 0.00 -0.23 -1.20 119.26 122.39 2hgk h ALA 16 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2hgk h ALA 16 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2hgk h ALA 16 CO -0.12 0.61 0.24 1.25 0.00 0.00 0.00 179.25 181.24 2hgk h LEU 17 N 0.87 0.78 -1.03 0.00 5.85 -0.53 -0.88 115.31 120.37 2hgk h LEU 17 Ca 0.17 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2hgk h LEU 17 Cb 0.44 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2hgk h LEU 17 CO 0.02 0.72 0.45 -0.07 -0.34 0.00 0.00 178.44 179.22 2hgk h LEU 18 N 0.78 1.01 0.26 2.25 3.38 -0.58 -1.22 115.31 121.19 2hgk h LEU 18 Ca 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2hgk h LEU 18 Cb 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2hgk h LEU 18 CO -0.02 0.81 -0.13 -0.09 0.09 0.00 0.00 178.44 179.10 2hgk h ARG 19 N 1.14 -0.34 -0.45 1.13 2.43 -0.76 0.38 114.38 117.90 2hgk h ARG 19 Ca 0.29 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 2hgk h ARG 19 Cb 0.02 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2hgk h ARG 19 CO -0.05 -0.18 0.22 0.93 -1.51 0.00 0.00 179.97 179.38 2hgk h GLU 20 N -0.41 0.42 -0.61 0.20 5.08 -0.83 -1.97 114.58 116.46 2hgk h GLU 20 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2hgk h GLU 20 Cb 0.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2hgk h GLU 20 CO 0.06 0.28 0.00 0.72 -1.00 0.00 0.00 179.01 179.07 2hgk n HIS 21 N -4.92 1.06 -3.64 4.33 8.25 -0.49 -4.92 115.22 114.89 2hgk n HIS 21 Ca 0.03 -0.42 -0.23 0.00 -0.26 0.00 0.00 57.72 56.84 2hgk n HIS 21 Cb 0.12 -0.20 0.06 0.00 1.12 0.00 0.00 29.99 31.10 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 0.70 -6.74 -0.05 -0.41 6.02 -0.47 -4.86 117.38 111.57 2hgk n GLN 22 Ca 0.18 0.76 0.04 0.00 -0.01 0.00 0.00 57.00 57.97 2hgk n GLN 22 Cb 0.67 -5.70 0.07 0.00 1.02 0.00 0.00 30.24 26.30 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 -4.65 0.14 -3.18 1.08 8.25 0.12 -4.87 115.22 112.12 2hgk n HIS 23 Ca -0.09 -0.19 -0.45 0.00 -0.26 0.00 0.00 57.72 56.72 2hgk n HIS 23 Cb 0.59 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.84 3.65 -0.13 4.41 -0.00 -0.84 -4.93 118.94 120.26 2hgk s TRP 24 Ca 0.14 -1.96 -0.17 0.00 -0.00 0.00 0.00 56.10 54.11 2hgk s TRP 24 Cb 0.08 -4.01 -0.04 0.00 -0.00 0.00 0.00 33.47 29.50 2hgk s TRP 24 CO 0.12 -1.17 0.42 1.03 -0.00 0.00 0.00 176.95 177.35 2hgk s ARG 25 N 0.77 4.29 -1.27 5.86 0.52 -1.26 -4.87 118.95 122.99 2hgk s ARG 25 Ca 0.27 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.69 2hgk s ARG 25 Cb -0.08 -3.42 0.14 0.00 0.52 0.00 0.00 34.95 32.11 2hgk s ARG 25 CO -0.08 0.21 1.71 -1.71 0.02 0.00 0.00 175.30 175.45 2hgk n ASN 26 N 3.55 4.99 -4.31 0.23 5.15 -1.26 -4.92 115.26 118.69 2hgk n ASN 26 Ca -0.09 -3.00 -0.16 0.00 -0.60 0.00 0.00 54.58 50.73 2hgk n ASN 26 Cb 0.52 -1.58 -0.10 0.00 -0.53 0.00 0.00 39.78 38.09 2hgk n ASN 26 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2hgk s ASP 27 N 2.42 1.30 -0.31 1.20 -1.08 -1.26 -5.13 116.67 113.80 2hgk s ASP 27 Ca 0.44 -1.33 -0.03 0.00 -0.52 0.00 0.00 52.55 51.11 2hgk s ASP 27 Cb 0.04 0.13 0.05 0.00 -1.46 0.00 0.00 42.92 41.68 2hgk s ASP 27 CO 0.00 -0.67 0.03 -1.61 0.52 0.00 0.00 175.17 173.44 2hgk s GLU 28 N -3.99 2.48 1.24 4.34 8.01 -1.26 -5.01 118.70 124.51 2hgk s GLU 28 Ca 0.34 -1.25 -0.17 0.00 0.01 0.00 0.00 54.97 53.91 2hgk s GLU 28 Cb 0.07 -3.26 0.30 0.00 -4.31 0.00 0.00 34.13 26.93 2hgk s GLU 28 CO 0.11 -0.64 1.01 -2.14 0.01 0.00 0.00 175.26 173.62 2hgk s PRO 29 N 1.29 -1.49 0.11 0.39 0.02 -1.26 -5.00 135.00 129.07 2hgk s PRO 29 Ca -0.04 0.45 -0.21 0.00 0.02 0.00 0.00 61.00 61.22 2hgk s PRO 29 Cb -0.20 -1.52 -0.07 0.00 0.02 0.00 0.00 34.50 32.73 2hgk s PRO 29 CO -0.00 -4.00 0.64 -0.65 -0.33 0.00 0.00 177.00 172.66 2hgk s GLN 30 N -4.82 4.32 0.43 5.54 -0.21 -1.26 -4.97 119.66 118.69 2hgk s GLN 30 Ca 0.68 0.88 0.09 0.00 0.02 0.00 0.00 55.36 57.03 2hgk s GLN 30 Cb -0.19 -3.23 0.93 0.00 1.00 0.00 0.00 33.01 31.52 2hgk s GLN 30 CO 0.61 0.61 2.06 -1.00 -2.12 0.00 0.00 175.29 175.44 2hgk h PRO 31 N 4.41 0.39 0.00 2.91 0.13 -2.00 -1.88 132.00 135.96 2hgk h PRO 31 Ca -0.49 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 2hgk h PRO 31 Cb 1.21 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2hgk h PRO 31 CO 0.64 0.29 -0.16 1.25 -0.23 0.00 0.00 178.00 179.79 2hgk h HIS 32 N 0.40 0.00 -0.19 1.56 2.76 -1.97 -0.10 115.15 117.61 2hgk h HIS 32 Ca 0.11 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.12 2hgk h HIS 32 Cb 0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2hgk h HIS 32 CO 0.00 0.16 -0.53 1.96 -1.30 0.00 0.00 177.93 178.23 2hgk h GLN 33 N 0.00 0.55 0.00 5.26 4.20 -1.74 -2.88 115.11 120.49 2hgk h GLN 33 Ca -0.00 -0.33 -0.18 0.00 0.06 0.00 0.00 58.65 58.20 2hgk h GLN 33 Cb 0.39 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2hgk h GLN 33 CO 0.02 0.94 -0.84 0.74 -0.67 0.00 0.00 178.83 179.02 2hgk h PHE 34 N 0.42 0.00 0.00 2.96 0.04 -1.36 -3.21 116.94 115.80 2hgk h PHE 34 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2hgk h PHE 34 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2hgk h PHE 34 CO 0.04 0.84 0.00 -1.71 -0.60 0.00 0.00 178.31 176.89 2hgk n ASN 35 N -3.42 0.00 -0.09 2.17 5.15 -0.13 -1.51 115.26 117.43 2hgk n ASN 35 Ca 0.00 0.48 0.05 0.00 -0.60 0.00 0.00 54.58 54.51 2hgk n ASN 35 Cb 0.84 -0.49 0.39 0.00 -0.53 0.00 0.00 39.78 39.99 2hgk n ASN 35 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2hgk h SER 36 N 0.00 0.56 -3.34 1.20 4.64 -1.54 -3.46 113.55 111.62 2hgk h SER 36 Ca 0.00 -0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.91 2hgk h SER 36 Cb 0.24 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2hgk h SER 36 CO 0.00 0.39 -0.54 0.41 -0.87 0.00 0.00 176.83 176.22 2hgk n THR 37 N -4.47 -1.27 -4.20 2.95 -1.04 -0.57 -4.92 114.28 100.77 2hgk n THR 37 Ca 0.07 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.81 2hgk n THR 37 Cb 0.14 -3.07 -0.08 0.00 -1.82 0.00 0.00 70.33 65.50 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 -5.21 2.41 0.30 -2.82 -0.21 -1.26 -5.00 119.66 107.87 2hgk s GLN 38 Ca 0.09 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.46 2hgk s GLN 38 Cb -0.04 -2.37 0.79 0.00 1.00 0.00 0.00 33.01 32.39 2hgk s GLN 38 CO 0.11 0.46 1.74 -1.35 -2.12 0.00 0.00 175.29 174.14 2hgk h PRO 39 N 2.79 0.59 -0.02 2.91 0.11 -2.01 0.49 132.00 136.86 2hgk h PRO 39 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hgk h PRO 39 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2hgk h PRO 39 CO 0.58 0.39 -0.05 1.19 -0.21 0.00 0.00 178.00 179.90 2hgk n PHE 40 N -4.88 0.06 -2.56 0.65 3.01 -1.26 -4.96 117.46 107.53 2hgk n PHE 40 Ca 0.24 -1.04 -0.17 0.00 1.01 0.00 0.00 57.45 57.49 2hgk n PHE 40 Cb 0.66 -0.17 -0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2hgk n PHE 40 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2hgk n PHE 41 N -1.35 -1.36 -0.21 1.38 3.72 0.16 -4.45 117.46 115.34 2hgk n PHE 41 Ca 0.17 0.09 0.30 0.00 -0.05 0.00 0.00 57.45 57.95 2hgk n PHE 41 Cb 0.66 -3.35 0.72 0.00 -0.94 0.00 0.00 39.48 36.57 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 -0.21 0.02 -0.28 -1.08 2.86 -1.80 0.17 114.93 114.61 2hgk h MET 42 Ca -0.39 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.14 2hgk h MET 42 Cb 1.29 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 2hgk h MET 42 CO 0.46 0.01 -0.25 0.22 1.06 0.00 0.00 176.91 178.42 2hgk h ASP 43 N 0.02 0.55 -0.54 1.22 3.58 -1.91 -2.13 116.42 117.21 2hgk h ASP 43 Ca 0.46 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2hgk h ASP 43 Cb 1.81 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.71 2hgk h ASP 43 CO -0.02 0.79 0.00 0.35 -2.88 0.00 0.00 179.24 177.49 2hgk n THR 44 N -4.12 1.10 0.00 2.25 -2.24 0.35 -5.03 114.28 106.60 2hgk n THR 44 Ca -0.00 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2hgk n THR 44 Cb 0.41 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2hgk n THR 44 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2hgk n MET 45 N 1.04 0.00 -4.10 -0.78 2.81 0.16 -4.94 117.12 111.31 2hgk n MET 45 Ca 0.19 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.72 2hgk n MET 45 Cb 0.57 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.04 2hgk n MET 45 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2hgk n GLU 46 N 0.00 -0.59 0.01 0.03 4.71 -1.26 -3.43 120.64 120.12 2hgk n GLU 46 Ca 0.00 0.03 -0.08 0.00 -0.01 0.00 0.00 57.16 57.10 2hgk n GLU 46 Cb 0.00 -2.61 -0.06 0.00 -1.01 0.00 0.00 31.44 27.76 2hgk n GLU 46 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2hgk h PRO 47 N -1.83 -0.14 0.07 3.49 0.13 -1.91 -3.28 132.00 128.54 2hgk h PRO 47 Ca -0.62 0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.17 2hgk h PRO 47 Cb 1.26 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2hgk h PRO 47 CO 0.55 0.26 -1.99 -0.11 -0.23 0.00 0.00 178.00 176.47 2hgk n LEU 48 N -4.84 2.09 0.00 1.56 7.94 -1.26 -3.93 117.00 118.57 2hgk n LEU 48 Ca -0.06 0.22 0.05 0.00 -1.11 0.00 0.00 56.01 55.11 2hgk n LEU 48 Cb 0.23 -0.69 0.30 0.00 0.53 0.00 0.00 43.42 43.79 2hgk n LEU 48 CO 0.19 0.73 0.62 -0.62 -1.11 0.00 0.00 177.39 177.19 2hgk n GLU 49 N -3.31 0.82 0.18 1.96 1.02 -1.26 -2.42 120.64 117.62 2hgk n GLU 49 Ca -0.30 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 56.90 2hgk n GLU 49 Cb 1.05 -1.19 0.27 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.00 0.00 0.08 -0.32 7.01 -1.68 -3.26 115.95 117.79 2hgk h TRP 50 Ca 0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2hgk h TRP 50 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 2hgk h TRP 50 CO 0.00 0.36 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.90 2hgk h LEU 51 N 0.00 -0.10 -9.34 0.65 3.38 -1.74 -1.24 115.31 106.92 2hgk h LEU 51 Ca -0.00 -0.31 -0.55 0.00 0.09 0.00 0.00 57.88 57.11 2hgk h LEU 51 Cb 1.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2hgk h LEU 51 CO 0.05 0.27 0.57 0.00 0.09 0.00 0.00 178.44 179.42 2hgk s GLN 52 N -4.71 4.43 0.00 1.13 -2.07 -1.23 -3.05 119.66 114.17 2hgk s GLN 52 Ca -0.15 1.55 0.00 0.00 -1.82 0.00 0.00 55.36 54.94 2hgk s GLN 52 Cb 0.03 -3.50 0.00 0.00 -1.09 0.00 0.00 33.01 28.45 2hgk s GLN 52 CO 0.63 -0.30 0.00 0.91 -1.32 0.00 0.00 175.29 175.22 2hgk n TRP 53 N 4.68 0.00 0.00 9.60 7.02 -1.26 -4.70 117.44 132.77 2hgk n TRP 53 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2hgk n TRP 53 Cb 0.48 -0.70 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 -2.00 0.00 -0.19 -0.99 0.31 -1.24 -4.74 118.33 109.48 2hgk n VAL 54 Ca 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 2hgk n VAL 54 Cb 0.00 -0.62 0.10 0.00 -0.91 0.00 0.00 33.84 32.41 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 0.00 0.17 0.54 7.52 5.85 -1.16 0.14 115.31 128.37 2hgk h LEU 55 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2hgk h LEU 55 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2hgk h LEU 55 CO 0.00 0.11 -0.29 0.40 -0.34 0.00 0.00 178.44 178.31 2hgk h ILE 56 N 0.37 0.00 -0.22 4.05 2.04 -1.81 -1.00 117.51 120.94 2hgk h ILE 56 Ca 0.29 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.12 2hgk h ILE 56 Cb 0.37 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2hgk h ILE 56 CO -0.31 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.39 2hgk h PRO 57 N -0.77 0.32 -0.62 2.37 0.13 -1.83 -0.04 132.00 131.56 2hgk h PRO 57 Ca -0.07 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2hgk h PRO 57 Cb 0.60 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.64 2hgk h PRO 57 CO 0.10 0.35 0.37 -0.09 -0.23 0.00 0.00 178.00 178.50 2hgk h ARG 58 N 0.32 0.71 0.00 0.86 2.43 -0.61 -1.51 114.38 116.58 2hgk h ARG 58 Ca 0.07 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 2hgk h ARG 58 Cb 0.21 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2hgk h ARG 58 CO 0.00 0.47 -0.86 0.52 -1.51 0.00 0.00 179.97 178.59 2hgk h MET 59 N 0.73 0.00 -0.96 0.20 2.86 -0.66 -2.25 114.93 114.85 2hgk h MET 59 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2hgk h MET 59 Cb 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 2hgk h MET 59 CO -0.12 0.65 0.61 0.45 1.06 0.00 0.00 176.91 179.57 2hgk h HIS 60 N 0.00 1.22 -0.15 -0.22 3.86 -0.55 0.19 115.15 119.50 2hgk h HIS 60 Ca -0.04 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.02 2hgk h HIS 60 Cb 1.58 -0.41 0.01 0.00 1.06 0.00 0.00 27.41 29.65 2hgk h HIS 60 CO 0.00 0.78 -0.54 0.22 0.86 0.00 0.00 177.93 179.25 2hgk h ASP 61 N 1.30 0.74 -0.16 2.45 1.82 -1.29 -2.41 116.42 118.87 2hgk h ASP 61 Ca 0.35 -0.61 0.05 0.00 -0.39 0.00 0.00 57.03 56.43 2hgk h ASP 61 Cb -0.12 -0.22 -0.06 0.00 0.68 0.00 0.00 39.33 39.61 2hgk h ASP 61 CO -0.07 1.22 -0.24 0.25 -1.61 0.00 0.00 179.24 178.79 2hgk h LEU 62 N 0.29 -0.76 -0.40 2.28 5.85 -0.90 -1.38 115.31 120.30 2hgk h LEU 62 Ca -0.03 0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 2hgk h LEU 62 Cb 1.17 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2hgk h LEU 62 CO 0.11 -0.29 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.43 2hgk h LEU 63 N -0.29 0.96 -1.16 2.25 3.38 -0.70 -3.04 115.31 116.70 2hgk h LEU 63 Ca 0.11 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2hgk h LEU 63 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2hgk h LEU 63 CO -0.33 1.25 -0.18 -0.78 0.09 0.00 0.00 178.44 178.49 2hgk h ASP 64 N 0.72 0.36 -0.61 -0.43 3.58 -1.24 -2.31 116.42 116.48 2hgk h ASP 64 Ca 0.05 -0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.24 2hgk h ASP 64 Cb 1.01 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 41.87 2hgk h ASP 64 CO 0.10 0.56 0.21 0.59 -2.88 0.00 0.00 179.24 177.81 2hgk n ASN 65 N -4.19 4.43 0.00 2.28 3.02 -0.54 -4.97 115.26 115.29 2hgk n ASN 65 Ca -0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 2hgk n ASN 65 Cb 0.33 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.01 0.00 -1.06 3.52 5.02 -0.87 -4.92 118.16 119.83 2hgk n LYS 66 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2hgk n LYS 66 Cb 1.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.21 2hgk n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2hgk n GLN 67 N 0.00 -2.80 0.00 1.97 1.13 -1.25 -4.56 117.38 111.87 2hgk n GLN 67 Ca 0.00 2.17 0.09 0.00 -1.94 0.00 0.00 57.00 57.32 2hgk n GLN 67 Cb 0.00 -2.71 0.42 0.00 0.11 0.00 0.00 30.24 28.06 2hgk n GLN 67 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2hgk n PRO 68 N -2.22 0.08 -0.89 -1.09 -0.04 -1.26 -5.01 135.00 124.57 2hgk n PRO 68 Ca 0.00 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 2hgk n PRO 68 Cb 0.32 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 2hgk n PRO 68 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hgk n LEU 69 N -1.43 -0.91 -0.02 1.53 4.77 -1.26 -4.66 117.00 115.02 2hgk n LEU 69 Ca 0.06 1.60 0.02 0.00 -0.03 0.00 0.00 56.01 57.65 2hgk n LEU 69 Cb 0.20 -1.43 0.34 0.00 -2.33 0.00 0.00 43.42 40.20 2hgk n LEU 69 CO 0.16 -0.59 1.06 -0.65 -1.33 0.00 0.00 177.39 176.04 2hgk h PRO 70 N -0.05 0.58 0.00 3.23 0.11 -1.97 -3.46 132.00 130.44 2hgk h PRO 70 Ca -0.02 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2hgk h PRO 70 Cb 0.59 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2hgk h PRO 70 CO 0.01 0.48 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 2hgk n GLY 71 N -1.18 1.73 2.21 -0.55 0.00 -1.26 -4.67 105.19 101.47 2hgk n GLY 71 Ca 0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk n ALA 72 N 0.00 2.56 -3.02 4.61 0.00 -1.26 -4.68 120.51 118.72 2hgk n ALA 72 Ca 0.00 -3.49 -0.35 0.00 0.00 0.00 0.00 53.44 49.59 2hgk n ALA 72 Cb 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.24 3.09 -0.02 0.00 5.36 -1.26 -5.09 117.98 118.81 2hgk s PHE 73 Ca 0.35 -0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 2hgk s PHE 73 Cb 0.16 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 2hgk s PHE 73 CO -0.11 -0.20 -0.08 0.00 -1.46 0.00 0.00 175.22 173.37 2hgk s ALA 74 N 1.06 0.79 0.00 11.12 0.00 -1.26 -4.78 121.76 128.69 2hgk s ALA 74 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2hgk s ALA 74 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2hgk s ALA 74 CO 0.02 0.13 0.00 1.33 0.00 0.00 0.00 175.76 177.24 2hgk n VAL 75 N 3.29 0.00 -0.05 0.00 0.24 -1.26 -4.80 118.33 115.75 2hgk n VAL 75 Ca -0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 2hgk n VAL 75 Cb 0.55 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.36 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 0.00 0.21 -0.60 2.33 0.00 -1.92 -0.78 119.26 118.49 2hgk h ALA 76 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2hgk h ALA 76 Cb 0.55 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2hgk h ALA 76 CO 0.00 -0.40 0.40 -1.35 0.00 0.00 0.00 179.25 177.89 2hgk h PRO 77 N 0.10 0.61 -0.15 0.00 0.11 -1.98 -0.33 132.00 130.36 2hgk h PRO 77 Ca 0.10 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 2hgk h PRO 77 Cb 0.11 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2hgk h PRO 77 CO -0.14 0.40 -0.17 -0.92 -0.21 0.00 0.00 178.00 176.96 2hgk h TYR 78 N 0.63 0.46 0.00 0.65 3.20 -1.68 -3.09 116.97 117.14 2hgk h TYR 78 Ca 0.25 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2hgk h TYR 78 Cb 0.20 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 2hgk h TYR 78 CO -0.00 0.78 -0.09 1.88 -1.64 0.00 0.00 178.16 179.10 2hgk h TYR 79 N 0.01 0.00 0.00 -3.82 -1.99 -0.77 -0.60 116.97 109.80 2hgk h TYR 79 Ca 0.02 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 2hgk h TYR 79 Cb 0.72 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.44 2hgk h TYR 79 CO 0.09 0.09 -0.10 1.49 -0.00 0.00 0.00 178.16 179.72 2hgk h GLU 80 N 0.00 0.00 0.10 4.88 4.81 -0.99 0.90 114.58 124.28 2hgk h GLU 80 Ca -0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 2hgk h GLU 80 Cb 0.68 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2hgk h GLU 80 CO 0.01 0.10 -2.06 -1.33 -0.73 0.00 0.00 179.01 175.00 2hgk n MET 81 N -3.37 0.74 -0.14 1.92 2.81 -0.48 -4.37 117.12 114.24 2hgk n MET 81 Ca -0.01 0.25 -0.12 0.00 -1.81 0.00 0.00 57.70 56.01 2hgk n MET 81 Cb 0.28 -1.68 -0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.09 0.65 -2.63 3.04 0.00 -0.99 -3.42 119.26 116.01 2hgk h ALA 82 Ca -0.44 -0.42 -0.59 0.00 0.00 0.00 0.00 54.91 53.46 2hgk h ALA 82 Cb 2.02 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 2hgk h ALA 82 CO 0.06 0.68 0.09 -0.51 0.00 0.00 0.00 179.25 179.57 2hgk s LEU 83 N -8.98 4.18 1.05 0.00 1.43 0.29 -5.02 118.68 111.63 2hgk s LEU 83 Ca -0.11 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 2hgk s LEU 83 Cb 0.12 -2.90 0.22 0.00 0.03 0.00 0.00 46.19 43.66 2hgk s LEU 83 CO 0.87 -0.22 1.07 0.00 0.23 0.00 0.00 176.35 178.30 2hgk s ALA 84 N 1.63 0.42 -0.14 4.21 0.00 -1.26 -4.78 121.76 121.83 2hgk s ALA 84 Ca 0.30 -0.06 0.25 0.00 0.00 0.00 0.00 51.96 52.45 2hgk s ALA 84 Cb -0.16 -3.24 0.69 0.00 0.00 0.00 0.00 23.12 20.41 2hgk s ALA 84 CO 0.11 -3.25 1.73 1.15 0.00 0.00 0.00 175.76 175.51 2hgk h THR 85 N -2.20 0.24 -2.81 0.00 2.02 -1.97 -3.44 112.91 104.76 2hgk h THR 85 Ca -0.56 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 2hgk h THR 85 Cb 1.31 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 69.62 2hgk h THR 85 CO 0.51 0.12 0.03 -0.67 0.37 0.00 0.00 175.52 175.87 2hgk n ASP 86 N -3.17 0.07 -2.47 4.18 2.03 -1.26 -4.86 116.55 111.06 2hgk n ASP 86 Ca 0.02 -1.08 -0.00 0.00 0.52 0.00 0.00 54.79 54.25 2hgk n ASP 86 Cb 0.48 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2hgk n ASP 86 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2hgk n HIS 87 N -1.85 -3.20 0.27 -0.67 -0.00 -1.26 -4.70 115.22 103.81 2hgk n HIS 87 Ca 0.02 1.42 0.18 0.00 0.46 0.00 0.00 57.72 59.79 2hgk n HIS 87 Cb 0.06 -3.52 0.90 0.00 -0.12 0.00 0.00 29.99 27.30 2hgk n HIS 87 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2hgk h PRO 88 N 2.42 0.00 0.00 1.57 0.13 -1.96 -0.02 132.00 134.14 2hgk h PRO 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hgk h PRO 88 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2hgk h PRO 88 CO 0.08 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 179.81 2hgk h GLN 89 N 0.00 0.00 -0.45 0.86 1.08 -1.99 -2.75 115.11 111.86 2hgk h GLN 89 Ca 0.05 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.34 2hgk h GLN 89 Cb 0.52 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.86 2hgk h GLN 89 CO -0.00 0.00 -0.20 -0.09 -0.95 0.00 0.00 178.83 177.59 2hgk h ARG 90 N 0.00 -0.10 -0.65 1.46 2.43 -1.27 0.13 114.38 116.38 2hgk h ARG 90 Ca 0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2hgk h ARG 90 Cb 0.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2hgk h ARG 90 CO 0.00 -0.07 0.16 0.00 -1.51 0.00 0.00 179.97 178.55 2hgk h ALA 91 N 1.21 1.06 -0.49 2.80 0.00 -1.73 -0.27 119.26 121.83 2hgk h ALA 91 Ca 0.21 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2hgk h ALA 91 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2hgk h ALA 91 CO -0.52 0.62 -0.21 -0.07 0.00 0.00 0.00 179.25 179.08 2hgk h LEU 92 N 0.97 1.03 0.01 0.00 3.38 -1.44 0.22 115.31 119.48 2hgk h LEU 92 Ca 0.21 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2hgk h LEU 92 Cb 0.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2hgk h LEU 92 CO -0.00 1.19 -0.01 0.40 0.09 0.00 0.00 178.44 180.12 2hgk h ILE 93 N 0.86 1.13 -0.40 1.22 2.04 -0.49 -2.61 117.51 119.25 2hgk h ILE 93 Ca 0.11 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 2hgk h ILE 93 Cb 0.79 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2hgk h ILE 93 CO 0.07 0.11 0.24 -0.07 0.00 0.00 0.00 178.15 178.49 2hgk h LEU 94 N -0.19 0.48 0.17 1.44 3.38 -0.92 0.76 115.31 120.42 2hgk h LEU 94 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 94 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hgk h LEU 94 CO 0.00 0.38 -0.08 0.00 0.09 0.00 0.00 178.44 178.83 2hgk h ALA 95 N 1.71 -0.23 -0.08 1.53 0.00 -0.78 0.24 119.26 121.65 2hgk h ALA 95 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2hgk h ALA 95 Cb -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2hgk h ALA 95 CO -0.03 -0.58 -0.29 0.93 0.00 0.00 0.00 179.25 179.29 2hgk h GLU 96 N -0.32 0.15 -0.37 0.00 4.39 -1.07 -2.39 114.58 114.97 2hgk h GLU 96 Ca -0.02 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2hgk h GLU 96 Cb 0.25 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2hgk h GLU 96 CO 0.04 0.43 0.06 -0.07 -1.16 0.00 0.00 179.01 178.30 2hgk h LEU 97 N 0.13 0.59 -1.72 1.33 3.38 -0.51 -2.70 115.31 115.80 2hgk h LEU 97 Ca 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2hgk h LEU 97 Cb 0.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2hgk h LEU 97 CO 0.04 0.70 0.09 -0.33 0.09 0.00 0.00 178.44 179.04 2hgk h GLU 98 N 0.45 0.27 0.45 1.13 5.08 -0.15 0.43 114.58 122.24 2hgk h GLU 98 Ca 0.11 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2hgk h GLU 98 Cb 0.37 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hgk h GLU 98 CO 0.01 0.22 -0.22 0.87 -1.00 0.00 0.00 179.01 178.89 2hgk h LYS 99 N 0.28 -0.58 -0.59 2.33 1.57 -1.15 0.27 116.57 118.70 2hgk h LYS 99 Ca 0.07 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2hgk h LYS 99 Cb 0.04 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2hgk h LYS 99 CO -0.01 -0.39 0.21 1.25 -0.57 0.00 0.00 179.45 179.94 2hgk h LEU 100 N -0.60 0.85 -0.46 2.94 5.85 -1.11 -1.71 115.31 121.06 2hgk h LEU 100 Ca -0.06 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2hgk h LEU 100 Cb 0.46 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2hgk h LEU 100 CO 0.10 0.81 0.17 -0.78 -0.34 0.00 0.00 178.44 178.40 2hgk h ASP 101 N 0.83 0.17 1.25 1.25 1.82 -0.01 -0.97 116.42 120.77 2hgk h ASP 101 Ca 0.19 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2hgk h ASP 101 Cb 0.26 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2hgk h ASP 101 CO -0.01 0.13 0.00 0.00 -1.61 0.00 0.00 179.24 177.75 2hgk h ALA 102 N 1.30 1.00 -0.05 -0.78 0.00 -0.25 -2.97 119.26 117.52 2hgk h ALA 102 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2hgk h ALA 102 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2hgk h ALA 102 CO -0.22 0.00 -0.82 -0.07 0.00 0.00 0.00 179.25 178.14 2hgk h LEU 103 N 0.00 0.51 -0.41 0.00 3.38 -0.24 -1.00 115.31 117.54 2hgk h LEU 103 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2hgk h LEU 103 Cb 0.63 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2hgk h LEU 103 CO 0.00 1.13 0.00 -0.26 0.09 0.00 0.00 178.44 179.40 2hgk h PHE 104 N 0.26 0.00 -0.00 1.13 0.04 -1.31 -1.43 116.94 115.62 2hgk h PHE 104 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2hgk h PHE 104 Cb 1.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.57 2hgk h PHE 104 CO 0.05 0.00 -0.40 0.00 -0.60 0.00 0.00 178.31 177.36 2hgk n ALA 105 N -1.85 3.33 -0.08 2.45 0.00 -1.01 -4.23 120.51 119.12 2hgk n ALA 105 Ca 0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 2hgk n ALA 105 Cb 0.36 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 2hgk n ALA 105 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hgk h ASP 106 N 0.12 0.00 -2.67 0.00 3.58 -0.08 -3.43 116.42 113.94 2hgk h ASP 106 Ca 0.00 -0.71 -0.54 0.00 0.42 0.00 0.00 57.03 56.20 2hgk h ASP 106 Cb 0.50 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 2hgk h ASP 106 CO 0.00 1.12 1.17 -0.62 -2.88 0.00 0.00 179.24 178.03 2hgk s ASP 107 N -6.36 5.95 -0.14 2.28 -1.08 -1.09 -4.93 116.67 111.30 2hgk s ASP 107 Ca -0.21 0.48 -0.29 0.00 -0.52 0.00 0.00 52.55 52.02 2hgk s ASP 107 Cb 0.01 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 2hgk s ASP 107 CO 0.58 -1.81 1.95 0.00 0.52 0.00 0.00 175.17 176.41 2hgk s ALA 108 N 6.69 3.16 -2.00 3.66 0.00 -1.26 -4.82 121.76 127.18 2hgk s ALA 108 Ca 0.60 0.85 0.12 0.00 0.00 0.00 0.00 51.96 53.52 2hgk s ALA 108 Cb -0.13 -3.94 0.72 0.00 0.00 0.00 0.00 23.12 19.77 2hgk s ALA 108 CO 0.26 -2.16 1.15 -1.13 0.00 0.00 0.00 175.76 173.88 2hgk n SER 109 N 9.40 0.00 0.25 0.00 3.41 -1.26 -2.10 113.62 123.31 2hgk n SER 109 Ca 0.23 -0.57 0.09 0.00 -0.26 0.00 0.00 58.87 58.36 2hgk n SER 109 Cb 0.44 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.02 2hgk n SER 109 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2hgk h LEU 110 N 0.00 0.00 -0.53 1.04 3.38 -1.97 0.33 115.31 117.57 2hgk h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hgk h LEU 110 CO 0.00 0.14 -0.01 -0.62 0.09 0.00 0.00 178.44 178.04 2hgk n GLU 111 N -4.04 1.34 -3.90 1.13 -0.58 -0.89 -4.63 120.64 109.06 2hgk n GLU 111 Ca -0.02 -0.53 -0.30 0.00 -0.42 0.00 0.00 57.16 55.89 2hgk n GLU 111 Cb 0.22 -1.49 -0.15 0.00 -0.57 0.00 0.00 31.44 29.45 2hgk n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2hgk s HIS 112 N -2.02 2.93 -0.35 -0.32 3.76 0.11 -5.08 115.29 114.31 2hgk s HIS 112 Ca 0.42 -2.58 -0.28 0.00 -0.15 0.00 0.00 55.06 52.47 2hgk s HIS 112 Cb 0.21 -2.46 0.02 0.00 1.11 0.00 0.00 32.58 31.46 2hgk s HIS 112 CO 0.36 -0.90 1.05 -1.01 -0.85 0.00 0.00 174.74 173.39 2hgk s HIS 113 N 0.98 3.09 -0.99 1.40 3.76 -1.26 -4.90 115.29 117.37 2hgk s HIS 113 Ca 0.12 1.04 -0.23 0.00 -0.15 0.00 0.00 55.06 55.84 2hgk s HIS 113 Cb -0.19 -3.77 0.06 0.00 1.11 0.00 0.00 32.58 29.79 2hgk s HIS 113 CO -0.12 -0.84 1.39 -1.01 -0.85 0.00 0.00 174.74 173.32 2hgk s HIS 114 N 3.70 2.60 0.41 1.40 3.76 -1.26 -4.99 115.29 120.92 2hgk s HIS 114 Ca 0.44 -0.87 -0.23 0.00 -0.15 0.00 0.00 55.06 54.25 2hgk s HIS 114 Cb -0.11 -4.64 -0.09 0.00 1.11 0.00 0.00 32.58 28.85 2hgk s HIS 114 CO 0.18 -1.89 1.06 -1.01 -0.85 0.00 0.00 174.74 172.23 2hgk s HIS 115 N 4.71 3.21 -0.45 1.40 3.76 -1.26 -5.01 115.29 121.65 2hgk s HIS 115 Ca 0.43 1.63 0.06 0.00 -0.15 0.00 0.00 55.06 57.04 2hgk s HIS 115 Cb -0.01 -3.14 0.22 0.00 1.11 0.00 0.00 32.58 30.76 2hgk s HIS 115 CO -0.08 -0.71 0.63 1.58 -0.85 0.00 0.00 174.74 175.30 2hgk n HIS 116 N -0.21 -2.02 -0.44 1.40 -0.00 -1.26 -5.32 115.22 107.37 2hgk n HIS 116 Ca 0.06 -2.56 0.00 0.00 0.46 0.00 0.00 57.72 55.67 2hgk n HIS 116 Cb 0.50 0.68 0.00 0.00 -0.12 0.00 0.00 29.99 31.05 2hgk n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38