#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 0.20 2.03 -2.24 -1.26 -4.85 114.28 108.15 2hgk n THR 2 Ca 0.00 -0.86 0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2hgk n THR 2 Cb 0.00 -0.71 0.74 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.13 0.75 -0.28 4.28 2.02 -1.90 -1.61 112.91 116.30 2hgk h THR 3 Ca -0.12 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 2hgk h THR 3 Cb 0.54 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2hgk h THR 3 CO 0.18 0.00 -0.11 0.45 0.37 0.00 0.00 175.52 176.41 2hgk h HIS 4 N 0.00 0.50 -0.23 3.16 -0.00 -1.93 -2.34 115.15 114.30 2hgk h HIS 4 Ca 0.07 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2hgk h HIS 4 Cb 0.32 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2hgk h HIS 4 CO 0.00 0.57 0.03 -0.44 -0.00 0.00 0.00 177.93 178.09 2hgk h ASP 5 N 0.43 0.38 -0.04 2.45 5.19 -1.65 -1.75 116.42 121.43 2hgk h ASP 5 Ca 0.08 -0.27 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 2hgk h ASP 5 Cb 0.46 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2hgk h ASP 5 CO 0.03 0.55 -0.02 0.03 -3.12 0.00 0.00 179.24 176.70 2hgk h ARG 6 N 0.18 -0.02 -0.30 3.56 3.08 -1.44 -0.29 114.38 119.15 2hgk h ARG 6 Ca 0.07 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2hgk h ARG 6 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2hgk h ARG 6 CO 0.01 -0.02 -0.16 0.28 -1.07 0.00 0.00 179.97 179.01 2hgk h VAL 7 N -0.03 1.24 -0.43 2.04 2.07 -1.44 -0.09 116.25 119.61 2hgk h VAL 7 Ca 0.02 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 2hgk h VAL 7 Cb 0.06 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2hgk h VAL 7 CO -0.05 0.36 -0.14 -0.09 0.02 0.00 0.00 177.57 177.66 2hgk h ARG 8 N 0.48 0.86 -0.37 1.57 2.43 -0.92 0.85 114.38 119.27 2hgk h ARG 8 Ca 0.08 -0.35 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 2hgk h ARG 8 Cb 0.55 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2hgk h ARG 8 CO 0.04 0.98 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.23 2hgk h LEU 9 N 0.68 0.68 -0.70 3.80 3.38 -0.79 -1.66 115.31 120.70 2hgk h LEU 9 Ca 0.10 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2hgk h LEU 9 Cb 0.69 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2hgk h LEU 9 CO 0.05 0.87 0.10 -0.61 0.09 0.00 0.00 178.44 178.93 2hgk h GLN 10 N 0.61 1.10 -0.74 1.13 5.75 -0.64 0.18 115.11 122.50 2hgk h GLN 10 Ca 0.10 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 2hgk h GLN 10 Cb 0.64 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 2hgk h GLN 10 CO 0.05 1.01 0.42 -0.07 -2.65 0.00 0.00 178.83 177.58 2hgk h LEU 11 N 1.02 0.91 -1.02 -2.39 3.38 -0.58 -1.49 115.31 115.14 2hgk h LEU 11 Ca 0.20 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2hgk h LEU 11 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2hgk h LEU 11 CO 0.01 0.73 -0.23 1.56 0.09 0.00 0.00 178.44 180.61 2hgk h GLN 12 N 1.01 0.00 -0.08 1.13 4.20 -0.78 0.35 115.11 120.94 2hgk h GLN 12 Ca 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 2hgk h GLN 12 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2hgk h GLN 12 CO -0.04 0.23 -0.08 0.00 -0.67 0.00 0.00 178.83 178.26 2hgk h ALA 13 N 1.77 0.12 -0.28 3.87 0.00 -0.10 -1.24 119.26 123.40 2hgk h ALA 13 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2hgk h ALA 13 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2hgk h ALA 13 CO 0.03 -0.06 -0.19 1.25 0.00 0.00 0.00 179.25 180.28 2hgk h LEU 14 N -0.22 0.51 -0.62 0.00 5.85 -1.09 0.51 115.31 120.25 2hgk h LEU 14 Ca 0.01 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.66 2hgk h LEU 14 Cb 0.60 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2hgk h LEU 14 CO 0.02 0.72 0.27 -0.08 -0.34 0.00 0.00 178.44 179.03 2hgk h GLU 15 N 0.46 0.47 -0.12 1.25 4.81 -0.21 0.10 114.58 121.34 2hgk h GLU 15 Ca 0.08 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.08 2hgk h GLU 15 Cb 0.60 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.88 2hgk h GLU 15 CO 0.04 0.31 -0.71 0.00 -0.73 0.00 0.00 179.01 177.92 2hgk h ALA 16 N 1.40 0.25 -0.49 2.92 0.00 -0.81 -2.39 119.26 120.14 2hgk h ALA 16 Ca 0.30 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2hgk h ALA 16 Cb 0.33 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2hgk h ALA 16 CO -0.27 0.58 0.22 1.25 0.00 0.00 0.00 179.25 181.04 2hgk h LEU 17 N 0.38 0.30 -0.88 0.00 6.46 -0.34 0.34 115.31 121.57 2hgk h LEU 17 Ca -0.05 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.65 2hgk h LEU 17 Cb 1.35 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.25 2hgk h LEU 17 CO 0.15 0.21 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.91 2hgk h LEU 18 N 0.44 0.61 -0.17 2.25 3.38 -0.86 -1.85 115.31 119.11 2hgk h LEU 18 Ca 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 18 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2hgk h LEU 18 CO -0.18 0.81 -0.01 -0.09 0.09 0.00 0.00 178.44 179.07 2hgk h ARG 19 N 0.54 0.30 -0.37 1.13 2.43 -0.68 0.33 114.38 118.06 2hgk h ARG 19 Ca 0.09 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2hgk h ARG 19 Cb 0.64 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2hgk h ARG 19 CO 0.05 0.53 0.04 0.93 -1.51 0.00 0.00 179.97 180.00 2hgk h GLU 20 N 0.04 0.56 -0.74 0.20 5.08 -0.31 -2.60 114.58 116.81 2hgk h GLU 20 Ca 0.05 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2hgk h GLU 20 Cb 0.39 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.46 2hgk h GLU 20 CO 0.01 0.55 0.20 0.72 -1.00 0.00 0.00 179.01 179.50 2hgk n HIS 21 N -4.30 2.23 -2.22 4.33 8.25 -0.70 -4.92 115.22 117.88 2hgk n HIS 21 Ca 0.02 -1.03 -0.18 0.00 -0.26 0.00 0.00 57.72 56.27 2hgk n HIS 21 Cb 0.22 -0.62 -0.02 0.00 1.12 0.00 0.00 29.99 30.69 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 0.04 -1.75 0.00 -0.41 6.02 -0.70 -4.80 117.38 115.78 2hgk n GLN 22 Ca 0.35 0.93 0.10 0.00 -0.01 0.00 0.00 57.00 58.38 2hgk n GLN 22 Cb 1.28 -5.51 -0.07 0.00 1.02 0.00 0.00 30.24 26.96 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 -3.48 0.00 -2.90 1.08 8.25 0.11 -4.84 115.22 113.44 2hgk n HIS 23 Ca -0.21 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.82 2hgk n HIS 23 Cb 0.65 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.71 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 -2.84 2.93 0.00 4.41 -0.11 -0.82 -4.75 118.94 117.76 2hgk s TRP 24 Ca 0.11 0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.61 2hgk s TRP 24 Cb 0.17 -3.84 0.00 0.00 -1.50 0.00 0.00 33.47 28.30 2hgk s TRP 24 CO 0.77 -1.10 0.00 0.54 -4.62 0.00 0.00 176.95 172.55 2hgk n ARG 25 N 6.99 0.00 -3.35 5.86 1.74 -1.26 -4.88 116.66 121.75 2hgk n ARG 25 Ca 0.03 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 2hgk n ARG 25 Cb 0.48 -0.55 0.01 0.00 -1.02 0.00 0.00 32.46 31.38 2hgk n ARG 25 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2hgk n ASN 26 N -2.29 -6.42 -3.01 0.55 3.02 -1.26 -4.98 115.26 100.87 2hgk n ASN 26 Ca 0.00 -0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 2hgk n ASN 26 Cb 0.24 -3.45 0.11 0.00 -0.61 0.00 0.00 39.78 36.07 2hgk n ASN 26 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2hgk n ASP 27 N -1.56 -0.27 -4.62 6.41 2.03 -1.26 -4.94 116.55 112.35 2hgk n ASP 27 Ca -0.11 -1.17 -0.43 0.00 0.52 0.00 0.00 54.79 53.60 2hgk n ASP 27 Cb 0.59 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 40.44 2hgk n ASP 27 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2hgk s GLU 28 N -4.48 3.72 -0.07 -0.67 2.56 -1.26 -4.95 118.70 113.55 2hgk s GLU 28 Ca 0.39 1.30 -0.30 0.00 0.00 0.00 0.00 54.97 56.36 2hgk s GLU 28 Cb -0.02 -4.00 -0.05 0.00 2.00 0.00 0.00 34.13 32.06 2hgk s GLU 28 CO 0.28 -1.38 1.57 -1.25 -0.56 0.00 0.00 175.26 173.91 2hgk s PRO 29 N 4.70 4.20 -0.18 4.30 0.04 -1.26 -5.01 135.00 141.79 2hgk s PRO 29 Ca 0.65 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.71 2hgk s PRO 29 Cb -0.19 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2hgk s PRO 29 CO 0.29 -0.80 0.02 -0.65 0.04 0.00 0.00 177.00 175.90 2hgk s GLN 30 N 3.80 3.81 0.41 4.56 -0.21 -1.26 -5.00 119.66 125.77 2hgk s GLN 30 Ca 0.69 -0.43 0.17 0.00 0.02 0.00 0.00 55.36 55.81 2hgk s GLN 30 Cb -0.31 -3.11 1.05 0.00 1.00 0.00 0.00 33.01 31.64 2hgk s GLN 30 CO 0.27 0.19 1.85 -1.35 -2.12 0.00 0.00 175.29 174.13 2hgk h PRO 31 N 6.92 0.43 -0.52 2.91 0.11 -2.00 0.18 132.00 140.02 2hgk h PRO 31 Ca -0.35 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.75 2hgk h PRO 31 Cb 1.18 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2hgk h PRO 31 CO 0.66 0.28 0.34 1.25 -0.21 0.00 0.00 178.00 180.32 2hgk h HIS 32 N 0.44 0.63 0.00 0.65 2.76 -1.98 -0.72 115.15 116.93 2hgk h HIS 32 Ca 0.48 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.64 2hgk h HIS 32 Cb 1.16 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.90 2hgk h HIS 32 CO -0.00 0.39 -0.13 1.96 -1.30 0.00 0.00 177.93 178.85 2hgk h GLN 33 N 0.67 0.00 0.00 5.26 4.20 -1.35 -2.62 115.11 121.27 2hgk h GLN 33 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2hgk h GLN 33 Cb -0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2hgk h GLN 33 CO -0.04 0.13 -1.73 1.19 -0.67 0.00 0.00 178.83 177.71 2hgk n PHE 34 N -4.10 0.27 1.67 2.96 3.72 -0.47 -4.20 117.46 117.31 2hgk n PHE 34 Ca -0.02 0.08 0.13 0.00 -0.05 0.00 0.00 57.45 57.58 2hgk n PHE 34 Cb 0.21 -0.64 0.76 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.39 0.00 0.23 4.37 3.02 -0.40 -1.45 115.26 118.64 2hgk n ASN 35 Ca -0.03 -0.87 0.06 0.00 -0.03 0.00 0.00 54.58 53.70 2hgk n ASN 35 Cb 0.58 0.00 0.52 0.00 -0.61 0.00 0.00 39.78 40.27 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 0.01 -1.43 6.41 4.64 -1.73 -3.46 113.55 117.99 2hgk h SER 36 Ca 0.00 -0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2hgk h SER 36 Cb 0.00 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.00 2hgk h SER 36 CO 0.00 0.15 -0.35 0.41 -0.87 0.00 0.00 176.83 176.17 2hgk n THR 37 N -4.36 -0.33 -3.87 2.95 -1.04 -0.53 -4.99 114.28 102.11 2hgk n THR 37 Ca -0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.67 2hgk n THR 37 Cb 0.21 -2.00 -0.04 0.00 -1.82 0.00 0.00 70.33 66.69 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 -3.99 3.47 0.62 -2.82 -0.21 -1.26 -4.99 119.66 110.48 2hgk s GLN 38 Ca 0.00 -0.37 0.37 0.00 0.02 0.00 0.00 55.36 55.38 2hgk s GLN 38 Cb 0.00 -3.01 2.04 0.00 1.00 0.00 0.00 33.01 33.05 2hgk s GLN 38 CO 0.00 0.58 2.27 -1.00 -2.12 0.00 0.00 175.29 175.03 2hgk h PRO 39 N 3.04 0.00 0.00 2.91 0.13 -1.99 -2.06 132.00 134.03 2hgk h PRO 39 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2hgk h PRO 39 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2hgk h PRO 39 CO 0.75 0.02 0.00 1.19 -0.23 0.00 0.00 178.00 179.73 2hgk n PHE 40 N -3.38 0.00 -3.93 1.56 3.72 -1.26 -5.02 117.46 109.15 2hgk n PHE 40 Ca -0.03 -0.17 -0.27 0.00 -0.05 0.00 0.00 57.45 56.94 2hgk n PHE 40 Cb 0.11 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.17 -1.66 0.17 1.38 3.72 -0.78 -4.36 117.46 115.76 2hgk n PHE 41 Ca 0.00 0.68 0.01 0.00 -0.05 0.00 0.00 57.45 58.10 2hgk n PHE 41 Cb 0.13 -3.66 0.31 0.00 -0.94 0.00 0.00 39.48 35.32 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 -1.87 0.00 0.04 -1.08 2.86 -1.86 -0.82 114.93 112.20 2hgk h MET 42 Ca -0.64 -0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.70 2hgk h MET 42 Cb 1.37 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.00 2hgk h MET 42 CO 0.60 0.43 -1.71 0.38 1.06 0.00 0.00 176.91 177.67 2hgk h ASP 43 N 0.00 0.13 0.14 1.22 2.03 -1.97 -3.39 116.42 114.57 2hgk h ASP 43 Ca -0.00 -0.26 -0.18 0.00 -0.73 0.00 0.00 57.03 55.86 2hgk h ASP 43 Cb 0.77 -0.04 0.02 0.00 -0.83 0.00 0.00 39.33 39.25 2hgk h ASP 43 CO 0.06 1.23 -0.80 0.71 -1.03 0.00 0.00 179.24 179.40 2hgk h THR 44 N 0.02 1.52 -2.33 1.15 1.35 -1.83 -3.48 112.91 109.31 2hgk h THR 44 Ca -0.30 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 2hgk h THR 44 Cb 2.01 3.21 0.00 0.00 -1.73 0.00 0.00 68.15 71.63 2hgk h THR 44 CO 0.09 0.72 0.00 0.23 -0.25 0.00 0.00 175.52 176.31 2hgk n MET 45 N -4.13 0.42 -4.21 4.72 2.81 -0.33 -5.02 117.12 111.39 2hgk n MET 45 Ca -0.14 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.51 2hgk n MET 45 Cb 0.82 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.26 2hgk n MET 45 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2hgk s GLU 46 N -1.79 2.51 0.60 0.03 1.03 -1.26 -4.18 118.70 115.63 2hgk s GLU 46 Ca 0.00 -1.19 0.29 0.00 0.03 0.00 0.00 54.97 54.10 2hgk s GLU 46 Cb 0.00 -2.35 1.53 0.00 -0.80 0.00 0.00 34.13 32.51 2hgk s GLU 46 CO 0.00 0.41 1.95 -1.00 -1.33 0.00 0.00 175.26 175.29 2hgk h PRO 47 N 2.14 0.00 0.00 -4.83 0.13 -1.88 0.16 132.00 127.72 2hgk h PRO 47 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2hgk h PRO 47 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2hgk h PRO 47 CO 0.60 0.00 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.17 2hgk h LEU 48 N 0.00 0.00 0.10 1.56 3.38 -1.94 0.15 115.31 118.55 2hgk h LEU 48 Ca 0.16 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.79 2hgk h LEU 48 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2hgk h LEU 48 CO -0.00 0.12 -1.86 -0.08 0.09 0.00 0.00 178.44 176.71 2hgk h GLU 49 N 0.00 0.21 0.00 1.13 4.57 -1.05 -3.36 114.58 116.08 2hgk h GLU 49 Ca -0.00 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 57.75 2hgk h GLU 49 Cb 0.40 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2hgk h GLU 49 CO 0.02 1.05 -0.31 2.35 -1.18 0.00 0.00 179.01 180.93 2hgk h TRP 50 N 0.06 0.00 -0.89 0.92 7.01 -1.08 -2.81 115.95 119.16 2hgk h TRP 50 Ca -0.37 0.00 0.12 0.00 2.11 0.00 0.00 58.89 60.75 2hgk h TRP 50 Cb 2.03 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 29.03 2hgk h TRP 50 CO 0.06 0.31 0.57 1.25 -2.79 0.00 0.00 178.44 177.85 2hgk h LEU 51 N 0.00 0.74-10.34 0.65 5.85 -0.87 -2.40 115.31 108.94 2hgk h LEU 51 Ca -0.00 0.03 -0.50 0.00 0.84 0.00 0.00 57.88 58.25 2hgk h LEU 51 Cb 0.59 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2hgk h LEU 51 CO 0.04 0.41 -0.29 0.00 -0.34 0.00 0.00 178.44 178.26 2hgk s GLN 52 N -5.76 2.49 0.00 1.25 -2.07 -1.06 -2.88 119.66 111.63 2hgk s GLN 52 Ca -0.10 -1.60 0.00 0.00 -1.82 0.00 0.00 55.36 51.84 2hgk s GLN 52 Cb 0.21 -2.44 0.00 0.00 -1.09 0.00 0.00 33.01 29.69 2hgk s GLN 52 CO 0.79 -0.41 0.00 1.87 -1.32 0.00 0.00 175.29 176.22 2hgk n TRP 53 N -1.77 0.00 0.00 9.60 -0.00 -1.26 -4.13 117.44 119.87 2hgk n TRP 53 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 2hgk n TRP 53 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.93 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 0.00 0.00 5.87 0.31 -1.25 -4.44 118.33 118.82 2hgk n VAL 54 Ca 0.00 0.32 -0.01 0.00 -0.01 0.00 0.00 64.34 64.64 2hgk n VAL 54 Cb 0.00 -1.27 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 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 -0.16 0.23 7.52 5.85 -1.56 0.43 115.31 127.63 2hgk h LEU 55 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2hgk h LEU 55 Cb 0.00 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2hgk h LEU 55 CO 0.00 -0.05 -0.28 0.40 -0.34 0.00 0.00 178.44 178.17 2hgk h ILE 56 N -0.06 0.40 -0.81 4.05 2.04 -1.80 0.38 117.51 121.73 2hgk h ILE 56 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2hgk h ILE 56 Cb 0.07 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2hgk h ILE 56 CO -0.03 0.00 0.47 -0.65 0.00 0.00 0.00 178.15 177.93 2hgk h PRO 57 N -0.56 1.10 -0.07 2.37 0.11 -1.75 -0.44 132.00 132.75 2hgk h PRO 57 Ca 0.00 -0.11 -0.14 0.00 0.11 0.00 0.00 66.00 65.86 2hgk h PRO 57 Cb 0.54 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2hgk h PRO 57 CO -0.09 0.79 -0.59 -0.09 -0.21 0.00 0.00 178.00 177.81 2hgk h ARG 58 N 1.12 0.25 0.00 1.05 2.43 0.11 -2.28 114.38 117.05 2hgk h ARG 58 Ca 0.29 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2hgk h ARG 58 Cb -0.02 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2hgk h ARG 58 CO -0.05 0.76 -0.47 0.52 -1.51 0.00 0.00 179.97 179.22 2hgk h MET 59 N 0.18 0.00 -0.88 0.20 2.86 -0.51 -2.47 114.93 114.32 2hgk h MET 59 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2hgk h MET 59 Cb 1.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 2hgk h MET 59 CO 0.09 0.47 0.58 0.45 1.06 0.00 0.00 176.91 179.56 2hgk h HIS 60 N 0.00 1.01 0.40 -0.22 3.86 -0.50 -1.96 115.15 117.73 2hgk h HIS 60 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2hgk h HIS 60 Cb 0.99 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2hgk h HIS 60 CO 0.00 0.52 -0.19 -0.44 0.86 0.00 0.00 177.93 178.69 2hgk h ASP 61 N 0.99 -0.45 -0.78 2.45 3.32 -1.22 -1.54 116.42 119.19 2hgk h ASP 61 Ca 0.38 -0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.52 2hgk h ASP 61 Cb 0.22 0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 2hgk h ASP 61 CO -0.14 -0.17 0.23 0.25 -1.72 0.00 0.00 179.24 177.69 2hgk h LEU 62 N -0.72 0.10 -0.04 1.55 5.85 -1.25 0.39 115.31 121.19 2hgk h LEU 62 Ca -0.05 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2hgk h LEU 62 Cb 0.51 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2hgk h LEU 62 CO 0.09 -0.02 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.04 2hgk h LEU 63 N 0.31 0.12 -0.79 2.25 3.38 -1.34 -2.59 115.31 116.65 2hgk h LEU 63 Ca 0.45 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2hgk h LEU 63 Cb 0.79 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2hgk h LEU 63 CO -0.51 0.63 -0.45 -0.78 0.09 0.00 0.00 178.44 177.43 2hgk h ASP 64 N -0.38 0.00 0.31 -0.43 3.58 -0.60 -1.27 116.42 117.63 2hgk h ASP 64 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hgk h ASP 64 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2hgk h ASP 64 CO 0.01 0.45 0.00 0.59 -2.88 0.00 0.00 179.24 177.41 2hgk n ASN 65 N -3.54 0.00 -1.46 2.28 5.03 0.13 -4.88 115.26 112.82 2hgk n ASN 65 Ca -0.00 -0.26 -0.14 0.00 0.87 0.00 0.00 54.58 55.04 2hgk n ASN 65 Cb 0.56 -0.20 -0.02 0.00 -1.02 0.00 0.00 39.78 39.10 2hgk n ASN 65 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2hgk n LYS 66 N -1.20 -1.09 -2.75 3.52 5.02 -0.48 -4.99 118.16 116.19 2hgk n LYS 66 Ca 0.13 0.78 -0.30 0.00 -2.02 0.00 0.00 58.31 56.91 2hgk n LYS 66 Cb 0.16 -5.01 -0.02 0.00 -0.02 0.00 0.00 35.03 30.13 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 -4.26 3.73 0.70 1.97 -1.52 -0.98 -5.04 119.66 114.26 2hgk s GLN 67 Ca 0.00 0.45 -0.16 0.00 -1.95 0.00 0.00 55.36 53.70 2hgk s GLN 67 Cb 0.00 -2.36 0.01 0.00 -0.22 0.00 0.00 33.01 30.44 2hgk s GLN 67 CO 0.00 -0.10 1.16 -2.30 -0.25 0.00 0.00 175.29 173.79 2hgk n PRO 68 N -1.56 0.73 -3.84 2.91 -0.02 -1.26 -4.76 135.00 127.20 2hgk n PRO 68 Ca 0.02 0.31 -0.37 0.00 -2.02 0.00 0.00 63.50 61.45 2hgk n PRO 68 Cb 0.54 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 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 -4.08 4.36 -0.57 2.45 1.43 -1.26 -5.03 118.68 115.98 2hgk s LEU 69 Ca 0.78 0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 54.04 2hgk s LEU 69 Cb -0.35 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2hgk s LEU 69 CO 0.46 0.36 1.55 -2.16 0.23 0.00 0.00 176.35 176.79 2hgk s PRO 70 N -0.76 3.13 0.47 1.29 0.04 -1.26 -4.87 135.00 133.03 2hgk s PRO 70 Ca 0.14 0.53 0.19 0.00 0.04 0.00 0.00 61.00 61.89 2hgk s PRO 70 Cb -0.12 -4.20 1.13 0.00 0.04 0.00 0.00 34.50 31.35 2hgk s PRO 70 CO 0.03 -2.14 2.00 0.78 0.04 0.00 0.00 177.00 177.71 2hgk h GLY 71 N 13.96 0.00 -2.28 0.56 0.00 -1.97 -2.21 103.07 111.13 2hgk h GLY 71 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2hgk h GLY 71 CO 1.18 0.00 0.01 0.00 0.00 0.00 0.00 176.54 177.73 2hgk n ALA 72 N -2.43 3.21 -2.63 3.60 0.00 -1.26 -4.19 120.51 116.82 2hgk n ALA 72 Ca -0.02 -0.95 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 2hgk n ALA 72 Cb 0.26 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.86 3.29 -0.14 0.00 5.36 -0.83 -5.04 117.98 118.75 2hgk s PHE 73 Ca 0.27 0.54 -0.05 0.00 -0.96 0.00 0.00 56.93 56.72 2hgk s PHE 73 Cb 0.21 -2.60 0.07 0.00 -0.34 0.00 0.00 43.02 40.35 2hgk s PHE 73 CO 0.08 -0.18 0.30 0.00 -1.46 0.00 0.00 175.22 173.96 2hgk s ALA 74 N 1.90 -0.70 -0.17 11.12 0.00 -1.26 -4.76 121.76 127.90 2hgk s ALA 74 Ca 0.18 1.09 0.15 0.00 0.00 0.00 0.00 51.96 53.38 2hgk s ALA 74 Cb -0.15 -1.04 -0.24 0.00 0.00 0.00 0.00 23.12 21.69 2hgk s ALA 74 CO 0.09 -0.60 0.20 1.33 0.00 0.00 0.00 175.76 176.78 2hgk n VAL 75 N 5.19 1.45 -0.09 0.00 0.24 -1.26 -4.49 118.33 119.37 2hgk n VAL 75 Ca -0.09 -0.82 -0.06 0.00 -2.04 0.00 0.00 64.34 61.32 2hgk n VAL 75 Cb 0.50 -0.67 0.01 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.93 0.31 -0.76 2.33 0.00 -1.91 -0.51 119.26 119.64 2hgk h ALA 76 Ca -0.49 0.08 0.20 0.00 0.00 0.00 0.00 54.91 54.70 2hgk h ALA 76 Cb 2.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 20.04 2hgk h ALA 76 CO 0.04 -0.38 0.54 -1.35 0.00 0.00 0.00 179.25 178.09 2hgk h PRO 77 N 0.13 0.12 0.22 0.00 0.11 -1.98 -0.42 132.00 130.18 2hgk h PRO 77 Ca 0.15 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.92 2hgk h PRO 77 Cb 0.19 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.30 2hgk h PRO 77 CO -0.23 0.08 -1.49 -0.92 -0.21 0.00 0.00 178.00 175.23 2hgk h TYR 78 N 0.12 0.86 0.00 0.65 3.20 -1.47 -3.27 116.97 117.06 2hgk h TYR 78 Ca 0.37 -0.63 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2hgk h TYR 78 Cb 1.29 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2hgk h TYR 78 CO -0.00 1.54 0.00 1.88 -1.64 0.00 0.00 178.16 179.94 2hgk h TYR 79 N 0.13 0.00 0.00 -3.82 -1.99 0.38 0.16 116.97 111.83 2hgk h TYR 79 Ca -0.25 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.44 2hgk h TYR 79 Cb 2.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.86 2hgk h TYR 79 CO 0.11 0.00 -0.18 0.93 -0.00 0.00 0.00 178.16 179.02 2hgk h GLU 80 N 0.00 0.00 0.08 4.88 5.08 -1.20 0.22 114.58 123.65 2hgk h GLU 80 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2hgk h GLU 80 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2hgk h GLU 80 CO 0.00 0.18 -2.15 -1.33 -1.00 0.00 0.00 179.01 174.72 2hgk n MET 81 N -4.06 0.73 -0.29 2.33 2.81 0.04 -4.36 117.12 114.32 2hgk n MET 81 Ca -0.02 0.23 -0.06 0.00 -1.81 0.00 0.00 57.70 56.04 2hgk n MET 81 Cb 0.26 -1.65 0.06 0.00 -0.71 0.00 0.00 33.22 31.19 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 0.07 1.03 -2.79 3.04 0.00 -0.66 -3.40 119.26 116.54 2hgk h ALA 82 Ca -0.47 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 53.68 2hgk h ALA 82 Cb 2.00 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2hgk h ALA 82 CO 0.03 0.65 -0.04 -0.51 0.00 0.00 0.00 179.25 179.38 2hgk s LEU 83 N -9.73 4.34 0.00 0.00 1.43 0.78 -5.03 118.68 110.47 2hgk s LEU 83 Ca -0.12 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2hgk s LEU 83 Cb 0.16 -2.87 0.06 0.00 0.03 0.00 0.00 46.19 43.56 2hgk s LEU 83 CO 0.84 0.02 0.40 0.00 0.23 0.00 0.00 176.35 177.83 2hgk n ALA 84 N 3.31 -0.11 1.42 4.21 0.00 -1.26 -4.74 120.51 123.34 2hgk n ALA 84 Ca -0.06 -0.69 0.13 0.00 0.00 0.00 0.00 53.44 52.82 2hgk n ALA 84 Cb 0.51 0.07 0.72 0.00 0.00 0.00 0.00 19.45 20.76 2hgk n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgk n THR 85 N -2.14 0.10 -4.16 0.00 -1.04 -1.26 -4.76 114.28 101.03 2hgk n THR 85 Ca 0.06 0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.87 2hgk n THR 85 Cb 0.21 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 68.08 2hgk n THR 85 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hgk s ASP 86 N -2.36 5.29 -0.12 8.00 2.15 -1.26 -4.89 116.67 123.48 2hgk s ASP 86 Ca 0.31 -0.34 -0.01 0.00 0.43 0.00 0.00 52.55 52.94 2hgk s ASP 86 Cb 0.18 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 2hgk s ASP 86 CO 0.37 -0.02 0.04 1.57 -0.17 0.00 0.00 175.17 176.96 2hgk n HIS 87 N -1.06 -1.39 0.23 -5.34 -0.00 -1.26 -4.87 115.22 101.53 2hgk n HIS 87 Ca -0.08 0.61 0.10 0.00 0.46 0.00 0.00 57.72 58.81 2hgk n HIS 87 Cb 0.58 -2.40 0.49 0.00 -0.12 0.00 0.00 29.99 28.54 2hgk n HIS 87 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2hgk n PRO 88 N 0.12 0.14 0.00 1.57 -0.04 -1.26 -2.08 135.00 133.44 2hgk n PRO 88 Ca 0.01 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 2hgk n PRO 88 Cb 0.03 -1.87 0.32 0.00 -0.04 0.00 0.00 33.50 31.95 2hgk n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hgk n GLN 89 N -2.14 0.19 0.12 0.54 6.02 -1.26 -2.63 117.38 118.22 2hgk n GLN 89 Ca -0.00 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.20 2hgk n GLN 89 Cb 0.09 -1.50 0.49 0.00 1.02 0.00 0.00 30.24 30.35 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 0.27 0.00 -1.09 0.11 -1.75 -2.52 114.38 109.40 2hgk h ARG 90 Ca 0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 2hgk h ARG 90 Cb 0.12 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2hgk h ARG 90 CO 0.00 0.23 -0.20 0.00 0.10 0.00 0.00 179.97 180.10 2hgk h ALA 91 N 1.81 1.59 0.17 0.08 0.00 -1.79 -1.24 119.26 119.88 2hgk h ALA 91 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2hgk h ALA 91 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hgk h ALA 91 CO -0.01 0.25 -0.08 -0.07 0.00 0.00 0.00 179.25 179.34 2hgk h LEU 92 N 0.00 -0.19 -0.35 0.00 3.38 -1.69 -2.03 115.31 114.43 2hgk h LEU 92 Ca -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2hgk h LEU 92 Cb 0.37 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2hgk h LEU 92 CO 0.03 0.10 0.10 0.40 0.09 0.00 0.00 178.44 179.16 2hgk h ILE 93 N -0.50 1.21 -0.12 1.22 2.04 -1.57 -2.76 117.51 117.04 2hgk h ILE 93 Ca -0.02 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.15 2hgk h ILE 93 Cb 0.38 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2hgk h ILE 93 CO 0.04 0.24 -0.05 -0.07 0.00 0.00 0.00 178.15 178.31 2hgk h LEU 94 N 0.41 -0.16 -0.72 1.44 3.38 -1.24 -0.26 115.31 118.16 2hgk h LEU 94 Ca 0.11 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2hgk h LEU 94 Cb 0.27 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2hgk h LEU 94 CO -0.00 -0.06 0.47 0.00 0.09 0.00 0.00 178.44 178.94 2hgk h ALA 95 N 1.09 0.92 -0.47 1.53 0.00 -1.32 0.81 119.26 121.81 2hgk h ALA 95 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2hgk h ALA 95 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2hgk h ALA 95 CO -0.14 0.32 -0.08 1.49 0.00 0.00 0.00 179.25 180.83 2hgk h GLU 96 N 0.96 0.84 -0.45 0.00 4.57 -1.18 -2.61 114.58 116.71 2hgk h GLU 96 Ca 0.27 -0.28 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2hgk h GLU 96 Cb -0.09 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2hgk h GLU 96 CO -0.07 0.90 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.40 2hgk h LEU 97 N 0.77 0.89 -1.15 1.64 3.38 -0.35 -2.45 115.31 118.04 2hgk h LEU 97 Ca 0.13 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2hgk h LEU 97 Cb 0.58 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2hgk h LEU 97 CO 0.04 1.06 0.58 -0.33 0.09 0.00 0.00 178.44 179.88 2hgk h GLU 98 N 0.77 1.03 -0.69 1.13 5.08 -0.55 0.28 114.58 121.63 2hgk h GLU 98 Ca 0.11 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2hgk h GLU 98 Cb 0.72 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2hgk h GLU 98 CO 0.06 0.68 0.14 0.87 -1.00 0.00 0.00 179.01 179.75 2hgk h LYS 99 N 1.06 1.13 0.32 2.33 1.57 -1.21 -1.55 116.57 120.22 2hgk h LYS 99 Ca 0.37 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2hgk h LYS 99 Cb 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2hgk h LYS 99 CO -0.13 1.02 -0.15 1.25 -0.57 0.00 0.00 179.45 180.86 2hgk h LEU 100 N 1.06 -0.37 -1.45 2.94 5.85 -0.66 -2.67 115.31 120.01 2hgk h LEU 100 Ca 0.21 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2hgk h LEU 100 Cb 0.41 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2hgk h LEU 100 CO 0.01 -0.05 0.45 0.44 -0.34 0.00 0.00 178.44 178.95 2hgk h ASP 101 N -0.71 0.58 -0.03 1.25 3.32 -0.54 0.55 116.42 120.83 2hgk h ASP 101 Ca -0.04 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2hgk h ASP 101 Cb 0.49 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2hgk h ASP 101 CO 0.07 0.36 -0.08 0.00 -1.72 0.00 0.00 179.24 177.87 2hgk h ALA 102 N 1.64 1.53 0.00 3.45 0.00 -1.18 -2.31 119.26 122.39 2hgk h ALA 102 Ca 0.30 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2hgk h ALA 102 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2hgk h ALA 102 CO -0.10 0.34 -0.60 -0.07 0.00 0.00 0.00 179.25 178.82 2hgk h LEU 103 N 0.26 0.00 -1.18 0.00 3.38 -0.55 0.18 115.31 117.41 2hgk h LEU 103 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 103 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hgk h LEU 103 CO 0.02 0.60 -0.39 -0.26 0.09 0.00 0.00 178.44 178.50 2hgk h PHE 104 N 0.00 0.00 0.15 1.13 -1.00 -1.03 -3.19 116.94 112.99 2hgk h PHE 104 Ca -0.01 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 2hgk h PHE 104 Cb 1.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 2hgk h PHE 104 CO 0.00 0.39 -1.81 0.00 -1.61 0.00 0.00 178.31 175.28 2hgk h ALA 105 N 1.61 0.30 -2.11 2.45 0.00 -1.19 -3.34 119.26 116.98 2hgk h ALA 105 Ca -0.00 -1.24 -0.74 0.00 0.00 0.00 0.00 54.91 52.93 2hgk h ALA 105 Cb 0.74 0.52 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 2hgk h ALA 105 CO 0.05 1.17 0.81 0.34 0.00 0.00 0.00 179.25 181.62 2hgk s ASP 106 N -7.10 6.88 -0.09 0.00 2.15 0.61 -4.80 116.67 114.32 2hgk s ASP 106 Ca -0.17 -2.67 0.07 0.00 0.43 0.00 0.00 52.55 50.22 2hgk s ASP 106 Cb 0.06 -2.34 0.37 0.00 -0.30 0.00 0.00 42.92 40.71 2hgk s ASP 106 CO 0.82 -0.77 1.10 -0.90 -0.17 0.00 0.00 175.17 175.26 2hgk n ASP 107 N 5.28 3.00 -4.53 -0.34 5.75 -1.26 -4.72 116.55 119.72 2hgk n ASP 107 Ca 0.26 -2.37 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 2hgk n ASP 107 Cb 0.45 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 2hgk n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgk s ALA 108 N -1.78 2.85 -0.70 2.12 0.00 -1.26 -4.79 121.76 118.20 2hgk s ALA 108 Ca 0.25 -1.62 -0.26 0.00 0.00 0.00 0.00 51.96 50.33 2hgk s ALA 108 Cb 0.18 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 2hgk s ALA 108 CO 0.09 -3.20 1.90 -1.12 0.00 0.00 0.00 175.76 173.42 2hgk s SER 109 N 3.86 5.21 -0.35 0.00 0.01 -1.26 -4.89 113.70 116.28 2hgk s SER 109 Ca 0.33 0.05 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 2hgk s SER 109 Cb -0.09 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2hgk s SER 109 CO 0.10 -2.50 0.93 -0.22 0.41 0.00 0.00 173.24 171.96 2hgk s LEU 110 N 9.46 4.00 0.72 2.44 2.96 -1.26 -5.00 118.68 132.00 2hgk s LEU 110 Ca 0.69 0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 55.18 2hgk s LEU 110 Cb -0.11 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.31 2hgk s LEU 110 CO 0.14 -0.82 1.11 -1.61 -1.32 0.00 0.00 176.35 173.85 2hgk s GLU 111 N 3.42 2.73 0.11 1.98 2.02 -1.26 -4.99 118.70 122.71 2hgk s GLU 111 Ca 0.39 0.44 0.03 0.00 0.02 0.00 0.00 54.97 55.85 2hgk s GLU 111 Cb -0.12 -2.01 -0.22 0.00 0.10 0.00 0.00 34.13 31.87 2hgk s GLU 111 CO 0.17 -1.12 1.24 0.45 0.02 0.00 0.00 175.26 176.01 2hgk h HIS 112 N -0.72 0.18 0.00 1.61 3.86 -2.01 -3.47 115.15 114.61 2hgk h HIS 112 Ca -0.45 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 2hgk h HIS 112 Cb 1.26 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2hgk h HIS 112 CO 0.48 1.09 0.00 0.72 0.86 0.00 0.00 177.93 181.08 2hgk n HIS 113 N -3.43 0.00 -2.79 2.45 8.25 -1.26 -4.92 115.22 113.52 2hgk n HIS 113 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2hgk n HIS 113 Cb 0.96 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.79 2hgk n HIS 113 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2hgk s HIS 114 N -0.85 3.32 0.01 4.41 3.76 -1.26 -5.00 115.29 119.68 2hgk s HIS 114 Ca 0.00 1.27 -0.30 0.00 -0.15 0.00 0.00 55.06 55.88 2hgk s HIS 114 Cb 0.00 -3.16 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 2hgk s HIS 114 CO 0.00 -0.45 1.32 -1.01 -0.85 0.00 0.00 174.74 173.75 2hgk s HIS 115 N 3.01 3.08 0.10 1.40 0.09 -1.26 -4.91 115.29 116.81 2hgk s HIS 115 Ca 0.39 1.01 -0.15 0.00 -0.00 0.00 0.00 55.06 56.31 2hgk s HIS 115 Cb -0.15 -3.56 -0.09 0.00 -0.00 0.00 0.00 32.58 28.78 2hgk s HIS 115 CO 0.07 -1.96 1.42 1.25 -0.00 0.00 0.00 174.74 175.52 2hgk h HIS 116 N 7.44 0.81 0.00 1.40 6.17 -2.02 -3.55 115.15 125.39 2hgk h HIS 116 Ca -0.38 -0.24 0.00 0.00 0.71 0.00 0.00 60.37 60.46 2hgk h HIS 116 Cb 1.18 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.94 2hgk h HIS 116 CO 0.72 0.97 0.00 0.72 0.71 0.00 0.00 177.93 181.05