#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pql s THR 2 N 0.00 2.99 0.25 6.31 -4.23 -1.26 -4.49 115.64 115.21 2pql s THR 2 Ca 0.00 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2pql s THR 2 Cb 0.00 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.99 2pql s THR 2 CO 0.00 -0.09 1.77 0.58 -0.54 0.00 0.00 174.62 176.34 2pql h VAL 3 N 1.22 0.78 -0.62 2.29 2.07 -1.89 -1.38 116.25 118.70 2pql h VAL 3 Ca -0.43 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2pql h VAL 3 Cb 1.26 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2pql h VAL 3 CO 0.60 0.11 0.26 -0.61 0.02 0.00 0.00 177.57 177.94 2pql h GLN 4 N 0.61 0.44 -0.57 1.57 4.15 -1.98 0.63 115.11 119.96 2pql h GLN 4 Ca 0.41 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.83 2pql h GLN 4 Cb 0.52 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 2pql h GLN 4 CO -0.33 0.29 0.34 -0.44 -1.93 0.00 0.00 178.83 176.77 2pql h ASP 5 N 0.45 0.55 -0.56 -0.69 3.32 -1.69 0.14 116.42 117.94 2pql h ASP 5 Ca 0.31 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.38 2pql h ASP 5 Cb 0.36 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2pql h ASP 5 CO -0.29 0.39 0.37 0.00 -1.72 0.00 0.00 179.24 177.99 2pql h GLU 7 N 0.74 1.05 -0.11 0.00 5.08 -0.51 -2.54 114.58 118.28 2pql h GLU 7 Ca 0.21 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2pql h GLU 7 Cb -0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2pql h GLU 7 CO -0.06 0.87 0.16 -0.91 -1.00 0.00 0.00 179.01 178.07 2pql h ASN 8 N 1.00 0.00 0.00 1.42 2.35 -0.41 -2.18 115.58 117.75 2pql h ASN 8 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2pql h ASN 8 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2pql h ASN 8 CO -0.02 0.00 -0.36 1.17 -1.65 0.00 0.00 177.43 176.57 2pql n LYS 9 N -3.58 1.40 -1.98 0.81 4.81 -0.97 -4.96 118.16 113.69 2pql n LYS 9 Ca -0.00 -1.13 -0.41 0.00 -0.87 0.00 0.00 58.31 55.90 2pql n LYS 9 Cb 0.26 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.82 2pql n LYS 9 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2pql s LEU 10 N -2.38 4.38 0.31 3.14 1.43 -0.82 -5.02 118.68 119.71 2pql s LEU 10 Ca 0.21 2.76 -0.06 0.00 -1.03 0.00 0.00 54.13 56.01 2pql s LEU 10 Cb 0.19 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2pql s LEU 10 CO 0.51 -0.71 0.59 -2.16 0.23 0.00 0.00 176.35 174.82 2pql s PRO 11 N -1.03 3.66 0.29 1.29 0.04 -1.26 -4.77 135.00 133.21 2pql s PRO 11 Ca 0.56 0.09 0.25 0.00 0.04 0.00 0.00 61.00 61.94 2pql s PRO 11 Cb -0.43 -2.60 0.68 0.00 0.04 0.00 0.00 34.50 32.19 2pql s PRO 11 CO 0.49 0.17 1.73 -1.35 0.04 0.00 0.00 177.00 178.08 2pql h PRO 12 N 1.63 0.00 0.00 0.56 0.11 -2.00 0.26 132.00 132.56 2pql h PRO 12 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2pql h PRO 12 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pql h PRO 12 CO 0.66 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.11 2pql h SER 13 N 0.00 0.00 0.08 -2.05 4.64 -2.02 -3.09 113.55 111.11 2pql h SER 13 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2pql h SER 13 Cb 0.80 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2pql h SER 13 CO 0.00 0.00 -2.10 0.18 -0.87 0.00 0.00 176.83 174.04 2pql n LEU 14 N -2.94 0.09 0.11 5.97 4.77 0.92 -4.45 117.00 121.47 2pql n LEU 14 Ca -0.00 0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2pql n LEU 14 Cb 0.23 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2pql n LEU 14 CO 0.24 0.23 0.21 0.50 -1.33 0.00 0.00 177.39 177.23 2pql h LYS 15 N 0.00 0.00 0.00 3.23 3.64 -1.57 -2.40 116.57 119.48 2pql h LYS 15 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2pql h LYS 15 Cb 1.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2pql h LYS 15 CO 0.02 0.31 0.00 -1.13 -2.27 0.00 0.00 179.45 176.38 2pql n SER 16 N -3.03 0.12 -0.77 4.20 3.41 -1.20 -2.96 113.62 113.40 2pql n SER 16 Ca -0.02 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 2pql n SER 16 Cb 0.72 -0.55 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 2pql n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pql n ARG 17 N -1.63 2.74 -0.27 4.33 1.74 -0.91 -4.79 116.66 117.86 2pql n ARG 17 Ca 0.04 -2.73 0.08 0.00 -0.77 0.00 0.00 57.85 54.48 2pql n ARG 17 Cb 0.22 -1.75 0.21 0.00 -1.02 0.00 0.00 32.46 30.13 2pql n ARG 17 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pql h LEU 18 N 1.60 -0.18 -0.43 0.55 5.85 -1.43 -2.29 115.31 118.97 2pql h LEU 18 Ca 0.00 0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 2pql h LEU 18 Cb 1.32 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2pql h LEU 18 CO 0.18 -0.16 -0.44 0.00 -0.34 0.00 0.00 178.44 177.68 2pql h GLU 20 N 0.67 -0.54 -0.66 0.00 5.08 -1.83 -1.38 114.58 115.90 2pql h GLU 20 Ca 0.04 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.58 2pql h GLU 20 Cb 1.02 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 2pql h GLU 20 CO 0.10 -0.36 -0.04 0.82 -1.00 0.00 0.00 179.01 178.52 2pql h ILE 21 N -0.57 0.41 0.00 3.13 2.04 -1.05 -1.87 117.51 119.61 2pql h ILE 21 Ca 0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2pql h ILE 21 Cb 0.67 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2pql h ILE 21 CO -0.44 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.27 2pql n ARG 22 N -5.34 0.46 -0.06 2.37 1.74 -0.14 -1.21 116.66 114.48 2pql n ARG 22 Ca 0.10 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.31 2pql n ARG 22 Cb 0.38 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.71 2pql n ARG 22 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pql n ARG 23 N -1.26 1.81 -1.30 5.56 1.74 -0.55 -4.93 116.66 117.74 2pql n ARG 23 Ca 0.14 -1.20 -0.10 0.00 -0.77 0.00 0.00 57.85 55.92 2pql n ARG 23 Cb 0.22 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 2pql n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2pql n TYR 24 N 0.43 0.00 -2.40 -1.55 4.01 -0.35 -5.01 117.16 112.29 2pql n TYR 24 Ca 0.17 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.53 2pql n TYR 24 Cb 0.38 -2.00 -0.03 0.00 -0.31 0.00 0.00 39.34 37.38 2pql n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2pql s GLU 25 N -2.85 4.26 -0.19 -0.72 2.02 -0.92 -4.97 118.70 115.33 2pql s GLU 25 Ca 0.00 1.77 -0.24 0.00 0.02 0.00 0.00 54.97 56.52 2pql s GLU 25 Cb 0.00 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 2pql s GLU 25 CO 0.00 -0.12 0.76 0.42 0.02 0.00 0.00 175.26 176.35 2pql s ILE 26 N -1.39 4.92 -0.10 -1.63 -1.09 -1.26 -4.56 121.20 116.10 2pql s ILE 26 Ca 0.53 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 60.45 2pql s ILE 26 Cb -0.29 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 2pql s ILE 26 CO 0.37 0.04 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.30 2pql s ILE 27 N 2.14 1.75 0.66 2.92 1.01 -1.26 -5.11 121.20 123.31 2pql s ILE 27 Ca 0.35 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2pql s ILE 27 Cb -0.16 -1.54 0.08 0.00 0.01 0.00 0.00 42.46 40.85 2pql s ILE 27 CO 0.11 0.49 0.93 -1.61 0.00 0.00 0.00 174.94 174.86 2pql s GLU 28 N 0.55 2.08 0.00 2.79 0.41 -1.26 -4.81 118.70 118.46 2pql s GLU 28 Ca -0.15 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 2pql s GLU 28 Cb -0.17 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 2pql s GLU 28 CO 0.05 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 174.07 2pql n GLY 29 N -2.71 1.18 0.03 -1.39 0.00 -1.26 -4.58 105.19 96.47 2pql n GLY 29 Ca 0.11 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.26 2pql n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pql n PRO 30 N 1.78 0.25 -0.08 1.61 -0.04 -1.26 -1.52 135.00 135.73 2pql n PRO 30 Ca 0.00 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 2pql n PRO 30 Cb 0.00 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 2pql n PRO 30 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2pql h GLU 31 N 0.00 0.44 -0.25 0.54 4.39 -1.99 -3.07 114.58 114.64 2pql h GLU 31 Ca 0.00 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2pql h GLU 31 Cb 0.70 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2pql h GLU 31 CO 0.00 0.61 -0.29 0.52 -1.16 0.00 0.00 179.01 178.69 2pql h MET 32 N 0.22 0.50 -0.01 2.33 2.86 -1.72 -2.24 114.93 116.87 2pql h MET 32 Ca 0.07 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2pql h MET 32 Cb 0.41 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2pql h MET 32 CO 0.01 0.74 0.01 -0.44 1.06 0.00 0.00 176.91 178.30 2pql h ASP 33 N 0.44 0.00 0.00 1.22 3.32 -1.25 -1.39 116.42 118.75 2pql h ASP 33 Ca 0.06 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2pql h ASP 33 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2pql h ASP 33 CO 0.06 0.00 -1.81 1.17 -1.72 0.00 0.00 179.24 176.94 2pql n LYS 34 N -3.95 0.74 0.20 3.56 3.00 -1.11 -2.95 118.16 117.65 2pql n LYS 34 Ca -0.03 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.31 58.02 2pql n LYS 34 Cb 0.10 -1.38 -0.08 0.00 0.00 0.00 0.00 35.03 33.66 2pql n LYS 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2pql h HIS 35 N 0.00 -0.46 0.00 5.64 2.76 -1.22 -2.64 115.15 119.23 2pql h HIS 35 Ca -0.10 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.02 2pql h HIS 35 Cb 1.02 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 2pql h HIS 35 CO 0.00 -0.19 -0.22 0.82 -1.30 0.00 0.00 177.93 177.05 2pql h ILE 36 N -0.68 0.98 -0.08 6.26 1.08 -1.41 0.62 117.51 124.28 2pql h ILE 36 Ca -0.05 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.60 2pql h ILE 36 Cb 0.48 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2pql h ILE 36 CO 0.08 0.21 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.96 2pql h HIS 37 N 0.00 0.22 -0.52 1.37 2.76 -1.62 -0.89 115.15 116.47 2pql h HIS 37 Ca -0.00 -0.06 0.10 0.00 -2.20 0.00 0.00 60.37 58.21 2pql h HIS 37 Cb 0.43 -0.05 -0.10 0.00 1.55 0.00 0.00 27.41 29.24 2pql h HIS 37 CO 0.00 0.58 -0.13 0.00 -1.30 0.00 0.00 177.93 177.08 2pql h VAL 39 N 0.00 1.33 -0.34 0.00 -1.51 -0.91 -1.23 116.25 113.59 2pql h VAL 39 Ca 0.25 -2.02 0.03 0.00 -1.23 0.00 0.00 66.70 63.73 2pql h VAL 39 Cb 0.38 2.27 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 2pql h VAL 39 CO -0.53 0.62 0.23 0.24 -1.23 0.00 0.00 177.57 176.89 2pql h MET 40 N 0.26 0.32 -0.11 5.19 2.86 -1.12 -0.10 114.93 122.22 2pql h MET 40 Ca -0.07 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.40 2pql h MET 40 Cb 1.39 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.99 2pql h MET 40 CO 0.15 0.21 -0.52 0.00 1.06 0.00 0.00 176.91 177.81 2pql h ARG 41 N 0.33 0.55 -0.92 1.72 2.47 -1.25 0.52 114.38 117.81 2pql h ARG 41 Ca 0.14 -0.44 0.13 0.00 -1.26 0.00 0.00 59.98 58.55 2pql h ARG 41 Cb 0.14 0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.48 2pql h ARG 41 CO -0.03 1.07 0.59 0.00 0.56 0.00 0.00 179.97 182.15 2pql h ALA 42 N 0.49 1.73 -0.01 0.04 0.00 -0.63 -1.32 119.26 119.56 2pql h ALA 42 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pql h ALA 42 Cb 1.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2pql h ALA 42 CO 0.11 0.03 -0.19 1.28 0.00 0.00 0.00 179.25 180.48 2pql n LEU 43 N -4.58 1.28 -2.49 0.00 4.77 -0.10 -4.85 117.00 111.03 2pql n LEU 43 Ca 0.18 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.62 2pql n LEU 43 Cb 0.43 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2pql n LEU 43 CO 0.29 0.23 0.15 -0.67 -1.33 0.00 0.00 177.39 176.06 2pql n ASP 44 N -0.31 -4.85 -0.02 -1.43 2.03 -0.50 -4.93 116.55 106.53 2pql n ASP 44 Ca 0.14 -0.34 0.08 0.00 0.52 0.00 0.00 54.79 55.19 2pql n ASP 44 Cb 0.36 -3.45 -0.16 0.00 -0.72 0.00 0.00 41.12 37.15 2pql n ASP 44 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2pql n PHE 45 N -4.14 0.02 -4.35 -0.67 3.72 0.11 -4.88 117.46 107.28 2pql n PHE 45 Ca 0.00 0.01 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 2pql n PHE 45 Cb 0.54 -0.59 -0.11 0.00 -0.94 0.00 0.00 39.48 38.38 2pql n PHE 45 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2pql s VAL 46 N -3.35 1.87 1.20 -4.37 -7.23 -1.20 -0.82 120.40 106.49 2pql s VAL 46 Ca -0.08 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 57.91 2pql s VAL 46 Cb 0.13 -1.91 0.28 0.00 0.56 0.00 0.00 36.38 35.44 2pql s VAL 46 CO 0.89 -0.35 1.10 -0.31 -0.31 0.00 0.00 175.10 176.12 2pql s TYR 47 N -2.19 0.55 0.19 2.82 2.02 0.74 -4.74 117.35 116.74 2pql s TYR 47 Ca 0.18 0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 57.32 2pql s TYR 47 Cb -0.05 -3.40 0.10 0.00 -0.40 0.00 0.00 41.96 38.21 2pql s TYR 47 CO 0.07 -3.88 1.75 0.93 -1.57 0.00 0.00 175.55 172.85 2pql h GLU 48 N -2.59 1.00 0.00 -0.62 5.08 -2.02 0.78 114.58 116.22 2pql h GLU 48 Ca -0.46 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2pql h GLU 48 Cb 1.30 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2pql h GLU 48 CO 0.36 0.83 0.00 -0.40 -1.00 0.00 0.00 179.01 178.80 2pql n ASP 49 N -4.40 0.00 0.00 1.42 5.75 -1.26 -4.86 116.55 113.20 2pql n ASP 49 Ca 0.05 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2pql n ASP 49 Cb 0.17 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 2pql n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pql n GLY 50 N 0.44 1.02 3.78 6.12 0.00 0.27 -4.73 105.19 112.09 2pql n GLY 50 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2pql n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pql s ARG 51 N -0.24 4.32 0.22 1.61 3.52 -1.25 -1.84 118.95 125.29 2pql s ARG 51 Ca 0.00 0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 56.12 2pql s ARG 51 Cb 0.00 -3.28 -0.15 0.00 -1.56 0.00 0.00 34.95 29.96 2pql s ARG 51 CO 0.00 0.51 1.19 0.41 -0.81 0.00 0.00 175.30 176.60 2pql n GLY 52 N 1.98 0.17 3.36 8.12 0.00 -1.26 -0.19 105.19 117.37 2pql n GLY 52 Ca -0.08 0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.96 2pql n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pql s ASP 53 N -0.08 6.18 0.28 1.61 -1.08 -0.00 -4.76 116.67 118.82 2pql s ASP 53 Ca 0.68 -1.48 -0.02 0.00 -0.52 0.00 0.00 52.55 51.20 2pql s ASP 53 Cb -0.76 -2.22 0.60 0.00 -1.46 0.00 0.00 42.92 39.09 2pql s ASP 53 CO 0.54 -0.80 1.60 0.22 0.52 0.00 0.00 175.17 177.25 2pql h TYR 54 N 8.88 -0.04 0.00 -5.34 3.20 -1.92 -1.48 116.97 120.26 2pql h TYR 54 Ca -0.29 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2pql h TYR 54 Cb 1.10 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2pql h TYR 54 CO 0.70 -0.33 0.00 0.72 -1.64 0.00 0.00 178.16 177.61 2pql n HIS 55 N -5.42 0.87 0.51 -3.82 8.25 -1.26 -1.13 115.22 113.22 2pql n HIS 55 Ca 0.19 0.26 0.13 0.00 -0.26 0.00 0.00 57.72 58.03 2pql n HIS 55 Cb 0.62 -0.92 0.34 0.00 1.12 0.00 0.00 29.99 31.15 2pql n HIS 55 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2pql h LYS 56 N 0.00 0.00 0.00 -0.41 1.79 -1.60 -3.39 116.57 112.95 2pql h LYS 56 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2pql h LYS 56 Cb 0.69 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2pql h LYS 56 CO 0.00 0.00 -1.40 1.28 -1.08 0.00 0.00 179.45 178.25 2pql n LEU 57 N -2.51 0.40 0.17 2.94 4.77 -0.89 -4.67 117.00 117.22 2pql n LEU 57 Ca 0.05 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2pql n LEU 57 Cb 0.46 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2pql n LEU 57 CO 0.31 0.21 0.70 0.22 -1.33 0.00 0.00 177.39 177.50 2pql h TYR 58 N 0.00 -0.65 0.10 -1.77 5.03 -1.33 -0.34 116.97 118.01 2pql h TYR 58 Ca -0.16 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.15 2pql h TYR 58 Cb 1.35 0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.88 2pql h TYR 58 CO 0.00 -0.36 -0.05 -0.44 -1.32 0.00 0.00 178.16 176.00 2pql h ASP 59 N -0.52 -0.11 -0.86 -2.11 3.32 -1.85 -2.06 116.42 112.23 2pql h ASP 59 Ca -0.00 -0.31 0.17 0.00 0.02 0.00 0.00 57.03 56.90 2pql h ASP 59 Cb 0.48 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 39.96 2pql h ASP 59 CO -0.05 0.27 0.42 -0.65 -1.72 0.00 0.00 179.24 177.50 2pql h PRO 60 N -0.50 0.52 -0.29 3.56 0.11 -1.82 0.93 132.00 134.51 2pql h PRO 60 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2pql h PRO 60 Cb 0.42 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2pql h PRO 60 CO 0.02 0.34 0.08 -0.07 -0.21 0.00 0.00 178.00 178.17 2pql h LEU 61 N 0.54 0.42 -0.68 2.35 3.38 -1.03 -3.14 115.31 117.15 2pql h LEU 61 Ca 0.50 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2pql h LEU 61 Cb 0.80 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2pql h LEU 61 CO -0.42 0.53 -0.58 0.78 0.09 0.00 0.00 178.44 178.83 2pql h ASN 62 N 0.30 0.00 -0.74 -0.43 2.35 -0.60 -0.54 115.58 115.91 2pql h ASN 62 Ca 0.09 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2pql h ASN 62 Cb 0.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2pql h ASN 62 CO -0.00 0.58 0.49 0.40 -1.65 0.00 0.00 177.43 177.25 2pql h ILE 63 N 0.00 1.19 0.04 2.81 2.04 -0.88 -2.54 117.51 120.17 2pql h ILE 63 Ca -0.01 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 2pql h ILE 63 Cb 1.13 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2pql h ILE 63 CO 0.08 0.18 -0.41 0.40 0.00 0.00 0.00 178.15 178.40 2pql h ILE 64 N 1.00 1.57 -2.77 -0.67 2.04 -1.45 -3.42 117.51 113.81 2pql h ILE 64 Ca 0.27 -2.21 -0.55 0.00 1.00 0.00 0.00 64.86 63.37 2pql h ILE 64 Cb -0.11 2.98 -0.40 0.00 -0.74 0.00 0.00 36.82 38.56 2pql h ILE 64 CO -0.06 0.61 -0.80 -0.70 0.00 0.00 0.00 178.15 177.20 2pql s GLU 65 N -2.77 0.40 -0.16 2.37 2.12 -0.23 -5.11 118.70 115.31 2pql s GLU 65 Ca -0.15 -0.89 -0.29 0.00 0.36 0.00 0.00 54.97 53.99 2pql s GLU 65 Cb 0.00 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 33.02 2pql s GLU 65 CO 0.77 -1.08 1.66 -1.17 -0.54 0.00 0.00 175.26 174.90 2pql s LEU 66 N 1.66 4.03 -0.29 2.70 2.96 -0.96 -4.24 118.68 124.54 2pql s LEU 66 Ca 0.12 1.87 -0.15 0.00 -0.22 0.00 0.00 54.13 55.75 2pql s LEU 66 Cb -0.19 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.12 2pql s LEU 66 CO -0.23 -1.17 0.91 -0.62 -1.32 0.00 0.00 176.35 173.93 2pql s ASP 67 N 4.09 -0.65 0.51 3.68 -1.08 -1.26 -5.02 116.67 116.93 2pql s ASP 67 Ca 0.74 0.97 0.34 0.00 -0.52 0.00 0.00 52.55 54.07 2pql s ASP 67 Cb -0.28 1.51 1.69 0.00 -1.46 0.00 0.00 42.92 44.38 2pql s ASP 67 CO 0.29 -0.14 2.03 0.07 0.52 0.00 0.00 175.17 177.94 2pql h LYS 68 N 6.88 0.00 0.00 4.34 2.10 -2.02 -2.54 116.57 125.33 2pql h LYS 68 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2pql h LYS 68 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2pql h LYS 68 CO 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.59 2pql h ARG 69 N 0.00 0.00 -0.37 0.07 3.08 -1.97 -2.99 114.38 112.20 2pql h ARG 69 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2pql h ARG 69 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2pql h ARG 69 CO 0.00 0.00 0.15 0.45 -1.07 0.00 0.00 179.97 179.50 2pql h HIS 70 N 0.00 0.56 -0.31 3.04 3.86 -1.83 0.82 115.15 121.30 2pql h HIS 70 Ca 0.00 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.23 2pql h HIS 70 Cb 0.66 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 2pql h HIS 70 CO 0.00 0.51 -0.11 0.22 0.86 0.00 0.00 177.93 179.40 2pql h ASP 71 N 0.46 -0.40 -0.46 2.45 3.58 -1.75 0.43 116.42 120.73 2pql h ASP 71 Ca 0.12 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 2pql h ASP 71 Cb 0.18 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2pql h ASP 71 CO -0.01 -0.15 0.22 0.58 -2.88 0.00 0.00 179.24 177.01 2pql h VAL 72 N -0.05 1.18 -0.30 2.25 2.07 -1.42 -1.23 116.25 118.74 2pql h VAL 72 Ca 0.16 -0.52 -0.18 0.00 0.82 0.00 0.00 66.70 66.98 2pql h VAL 72 Cb 0.29 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2pql h VAL 72 CO -0.35 0.20 -0.52 0.78 0.02 0.00 0.00 177.57 177.70 2pql h ASN 73 N 0.60 0.96 -0.17 0.57 2.35 -0.65 -1.57 115.58 117.67 2pql h ASN 73 Ca 0.16 -0.50 0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2pql h ASN 73 Cb 0.11 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2pql h ASN 73 CO -0.02 1.30 0.04 -0.07 -1.65 0.00 0.00 177.43 177.03 2pql h LEU 74 N 0.68 0.04 -0.57 1.61 3.38 -0.81 -0.27 115.31 119.37 2pql h LEU 74 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2pql h LEU 74 Cb 1.12 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2pql h LEU 74 CO 0.12 0.05 0.23 -0.33 0.09 0.00 0.00 178.44 178.59 2pql h GLU 75 N 0.12 0.85 0.16 1.13 4.39 -1.12 -1.20 114.58 118.91 2pql h GLU 75 Ca 0.07 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2pql h GLU 75 Cb 0.06 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2pql h GLU 75 CO -0.09 0.73 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.17 2pql h LYS 76 N 0.79 -0.25 -0.21 2.33 3.64 -1.18 -1.82 116.57 119.86 2pql h LYS 76 Ca 0.19 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 2pql h LYS 76 Cb 0.20 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2pql h LYS 76 CO -0.02 -0.17 -0.41 0.00 -2.27 0.00 0.00 179.45 176.59 2pql h ILE 78 N 0.41 1.24 -0.50 0.00 2.04 -1.26 -1.87 117.51 117.57 2pql h ILE 78 Ca 0.04 -0.82 0.08 0.00 1.00 0.00 0.00 64.86 65.15 2pql h ILE 78 Cb 0.89 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 2pql h ILE 78 CO 0.08 0.30 0.14 1.23 0.00 0.00 0.00 178.15 179.90 2pql h GLY 79 N 0.74 0.64 0.97 5.37 0.00 -0.88 -1.54 103.07 108.37 2pql h GLY 79 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2pql h GLY 79 CO -0.00 -0.03 -0.12 0.83 0.00 0.00 0.00 176.54 177.22 2pql h GLU 80 N 0.29 -0.32 0.00 4.80 5.08 -1.13 -3.22 114.58 120.08 2pql h GLU 80 Ca 0.25 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2pql h GLU 80 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2pql h GLU 80 CO -0.28 -0.19 -0.29 0.00 -1.00 0.00 0.00 179.01 177.25 2pql h VAL 82 N 0.00 0.71 0.00 0.00 2.07 -1.30 -3.00 116.25 114.73 2pql h VAL 82 Ca -0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2pql h VAL 82 Cb 0.51 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2pql h VAL 82 CO 0.04 0.14 -0.75 0.00 0.02 0.00 0.00 177.57 177.02 2pql n GLN 83 N -3.80 0.28 -2.74 1.57 6.02 -0.51 -4.84 117.38 113.36 2pql n GLN 83 Ca -0.02 0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.78 2pql n GLN 83 Cb 0.24 -1.65 0.02 0.00 1.02 0.00 0.00 30.24 29.87 2pql n GLN 83 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2pql s VAL 84 N -3.17 3.77 0.73 5.09 -7.23 -1.13 -5.09 120.40 113.36 2pql s VAL 84 Ca 0.06 -0.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.79 2pql s VAL 84 Cb 0.14 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2pql s VAL 84 CO 0.75 -0.36 1.09 -2.84 -0.31 0.00 0.00 175.10 173.43 2pql s PRO 85 N -4.74 2.49 0.54 4.82 0.02 -1.26 -4.82 135.00 132.06 2pql s PRO 85 Ca 0.51 1.23 0.25 0.00 0.02 0.00 0.00 61.00 63.01 2pql s PRO 85 Cb -0.10 -1.92 1.52 0.00 0.02 0.00 0.00 34.50 34.01 2pql s PRO 85 CO 0.41 -1.47 2.14 0.00 -0.33 0.00 0.00 177.00 177.75 2pql h THR 86 N -0.70 0.67 0.00 0.99 1.03 -1.92 -0.90 112.91 112.08 2pql h THR 86 Ca -0.45 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 2pql h THR 86 Cb 1.23 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 2pql h THR 86 CO 0.53 0.07 0.00 0.77 -0.01 0.00 0.00 175.52 176.88 2pql h SER 87 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.18 113.55 113.09 2pql h SER 87 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pql h SER 87 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2pql h SER 87 CO 0.01 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.18 2pql n GLU 88 N -2.73 4.56 -0.05 4.77 2.13 -0.38 -4.53 120.64 124.42 2pql n GLU 88 Ca -0.00 -0.08 -0.14 0.00 0.66 0.00 0.00 57.16 57.59 2pql n GLU 88 Cb 0.17 -0.52 -0.08 0.00 0.27 0.00 0.00 31.44 31.28 2pql n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2pql h ARG 89 N 0.00 0.35 -0.39 5.31 2.43 -1.45 -0.71 114.38 119.93 2pql h ARG 89 Ca 0.00 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 58.79 2pql h ARG 89 Cb 0.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2pql h ARG 89 CO 0.00 0.81 -0.36 0.00 -1.51 0.00 0.00 179.97 178.91 2pql h ALA 90 N 0.54 0.62 -0.43 2.80 0.00 -1.62 -0.54 119.26 120.62 2pql h ALA 90 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2pql h ALA 90 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2pql h ALA 90 CO 0.05 0.68 0.17 1.25 0.00 0.00 0.00 179.25 181.40 2pql h HIS 91 N 0.75 0.66 -0.53 0.00 -0.00 -1.78 -1.13 115.15 113.12 2pql h HIS 91 Ca 0.07 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2pql h HIS 91 Cb 0.95 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.13 2pql h HIS 91 CO 0.06 0.57 0.32 0.28 -0.00 0.00 0.00 177.93 179.16 2pql h VAL 92 N 0.56 1.16 -0.35 5.26 2.07 -0.87 0.13 116.25 124.21 2pql h VAL 92 Ca 0.14 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.38 2pql h VAL 92 Cb 0.19 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2pql h VAL 92 CO -0.01 0.16 -0.14 0.15 0.02 0.00 0.00 177.57 177.75 2pql h PHE 93 N 0.71 -0.34 0.02 1.57 3.57 -0.98 -0.42 116.94 121.06 2pql h PHE 93 Ca 0.19 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2pql h PHE 93 Cb -0.01 0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2pql h PHE 93 CO -0.03 -0.22 -0.01 -0.92 -2.23 0.00 0.00 178.31 174.91 2pql h TYR 94 N -0.08 -0.02 -0.41 0.41 3.20 -0.74 -1.05 116.97 118.28 2pql h TYR 94 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2pql h TYR 94 Cb 0.35 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2pql h TYR 94 CO -0.37 0.10 0.26 0.87 -1.64 0.00 0.00 178.16 177.38 2pql h LYS 95 N -0.13 0.55 -0.57 1.82 1.57 -0.68 -1.94 116.57 117.18 2pql h LYS 95 Ca -0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2pql h LYS 95 Cb 0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2pql h LYS 95 CO 0.00 0.39 0.37 0.00 -0.57 0.00 0.00 179.45 179.64 2pql h LEU 97 N 0.77 0.81 -1.45 0.00 3.38 -0.95 -2.12 115.31 115.75 2pql h LEU 97 Ca 0.21 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2pql h LEU 97 Cb -0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2pql h LEU 97 CO -0.04 0.82 -0.14 -0.07 0.09 0.00 0.00 178.44 179.10 2pql h LEU 98 N 0.76 0.18 -0.07 1.67 3.38 -1.24 -1.92 115.31 118.08 2pql h LEU 98 Ca 0.17 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2pql h LEU 98 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2pql h LEU 98 CO -0.00 0.34 -0.61 0.50 0.09 0.00 0.00 178.44 178.76 2pql h LYS 99 N 0.19 0.00 -7.51 1.13 1.63 -1.09 -3.39 116.57 107.53 2pql h LYS 99 Ca 0.04 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.37 2pql h LYS 99 Cb 0.36 0.00 0.12 0.00 -0.60 0.00 0.00 32.23 32.11 2pql h LYS 99 CO 0.02 0.61 0.32 -1.54 -3.45 0.00 0.00 179.45 175.42 2pql s SER 100 N -6.52 3.81 0.22 4.20 1.04 -0.83 -4.91 113.70 110.71 2pql s SER 100 Ca 0.03 0.97 0.18 0.00 0.48 0.00 0.00 55.95 57.61 2pql s SER 100 Cb 0.08 -1.55 0.87 0.00 0.10 0.00 0.00 66.02 65.52 2pql s SER 100 CO 0.76 -2.36 1.55 0.35 0.98 0.00 0.00 173.24 174.51 2pql n THR 101 N -3.64 1.13 0.56 2.02 -2.24 -1.26 -1.33 114.28 109.52 2pql n THR 101 Ca 0.07 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.48 2pql n THR 101 Cb 0.59 -1.46 0.37 0.00 -2.10 0.00 0.00 70.33 67.74 2pql n THR 101 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2pql h THR 102 N 0.00 0.00 -0.73 4.28 2.02 -1.89 -3.36 112.91 113.22 2pql h THR 102 Ca 0.00 -0.56 0.13 0.00 0.77 0.00 0.00 66.41 66.75 2pql h THR 102 Cb 0.13 1.56 -0.13 0.00 -1.74 0.00 0.00 68.15 67.96 2pql h THR 102 CO 0.00 0.00 -0.30 1.23 0.37 0.00 0.00 175.52 176.82 2pql h GLY 103 N 4.41 0.16 -0.68 2.16 0.00 -0.44 0.24 103.07 108.92 2pql h GLY 103 Ca 0.00 0.39 0.13 0.00 0.00 0.00 0.00 47.33 47.85 2pql h GLY 103 CO 0.00 -0.24 -0.34 -0.09 0.00 0.00 0.00 176.54 175.87 2pql h ARG 104 N -0.08 -0.08 0.08 4.80 2.43 -1.80 -1.71 114.38 118.03 2pql h ARG 104 Ca 0.30 0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.22 2pql h ARG 104 Cb 0.57 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2pql h ARG 104 CO -0.78 -0.05 -1.24 1.15 -1.51 0.00 0.00 179.97 177.53 2pql h THR 105 N -0.08 1.47 -0.74 0.20 2.02 -1.62 -3.26 112.91 110.90 2pql h THR 105 Ca 0.30 -3.11 0.10 0.00 0.77 0.00 0.00 66.41 64.46 2pql h THR 105 Cb 0.58 2.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.76 2pql h THR 105 CO -0.83 0.88 0.38 0.15 0.37 0.00 0.00 175.52 176.48 2pql h PHE 106 N 0.04 0.68 -0.44 3.16 3.57 -0.26 -1.45 116.94 122.24 2pql h PHE 106 Ca -0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2pql h PHE 106 Cb 1.92 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 2pql h PHE 106 CO 0.04 0.25 0.17 0.87 -2.23 0.00 0.00 178.31 177.40 2pql h LYS 107 N 0.63 0.62 -0.18 1.11 1.57 -1.36 0.13 116.57 119.10 2pql h LYS 107 Ca 0.36 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 2pql h LYS 107 Cb 0.38 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pql h LYS 107 CO -0.27 0.52 -0.12 0.87 -0.57 0.00 0.00 179.45 179.88 2pql h LYS 108 N 0.62 0.39 -0.78 3.15 1.57 -1.47 0.02 116.57 120.08 2pql h LYS 108 Ca 0.15 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2pql h LYS 108 Cb 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2pql h LYS 108 CO -0.01 0.72 0.28 0.28 -0.57 0.00 0.00 179.45 180.15 2pql h VAL 109 N 0.06 1.26 0.05 0.50 2.07 -1.01 -1.16 116.25 118.03 2pql h VAL 109 Ca 0.04 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2pql h VAL 109 Cb 0.63 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2pql h VAL 109 CO 0.03 0.35 -0.02 0.15 0.02 0.00 0.00 177.57 178.10 2pql h PHE 110 N 1.15 -0.06 -0.30 1.57 3.04 -0.72 -1.04 116.94 120.58 2pql h PHE 110 Ca 0.26 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.26 2pql h PHE 110 Cb 0.26 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 2pql h PHE 110 CO 0.02 0.09 -0.04 -0.44 -2.02 0.00 0.00 178.31 175.93 2pql h ASP 111 N -0.20 -0.20 -0.15 0.41 5.19 -0.87 -0.86 116.42 119.75 2pql h ASP 111 Ca -0.01 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2pql h ASP 111 Cb 0.18 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 2pql h ASP 111 CO 0.01 -0.06 0.10 -0.07 -3.12 0.00 0.00 179.24 176.09 2pql h LEU 112 N 0.04 0.17 -0.95 1.55 3.38 -1.15 -2.05 115.31 116.30 2pql h LEU 112 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2pql h LEU 112 Cb 0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2pql h LEU 112 CO -0.28 0.13 0.37 -0.03 0.09 0.00 0.00 178.44 178.72 2pql h MET 113 N 0.19 1.12 0.00 1.13 4.05 -1.05 0.12 114.93 120.50 2pql h MET 113 Ca 0.05 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2pql h MET 113 Cb -0.02 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.57 2pql h MET 113 CO -0.01 0.87 -0.01 1.49 0.23 0.00 0.00 176.91 179.47 2pql h GLU 114 N 1.12 -0.02 0.00 0.39 4.81 -0.74 -1.17 114.58 118.97 2pql h GLU 114 Ca 0.27 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 2pql h GLU 114 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2pql h GLU 114 CO -0.03 -0.01 -0.62 -0.07 -0.73 0.00 0.00 179.01 177.54 2pql h LEU 115 N -0.02 0.00 -0.17 1.64 3.38 -1.15 -1.61 115.31 117.38 2pql h LEU 115 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2pql h LEU 115 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2pql h LEU 115 CO -0.01 0.62 0.04 0.11 0.09 0.00 0.00 178.44 179.29 2pql h LYS 116 N 0.00 0.28 0.00 1.13 1.57 -0.58 -0.22 116.57 118.75 2pql h LYS 116 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2pql h LYS 116 Cb 1.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2pql h LYS 116 CO 0.08 0.42 -0.19 0.87 -0.57 0.00 0.00 179.45 180.07 2pql h LYS 117 N 0.08 0.00 -0.00 3.15 1.57 -1.13 -1.52 116.57 118.73 2pql h LYS 117 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2pql h LYS 117 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2pql h LYS 117 CO 0.00 0.19 -0.07 0.00 -0.57 0.00 0.00 179.45 179.00 2pql n ALA 118 N -2.36 2.64 -1.05 3.86 0.00 -0.61 -4.91 120.51 118.09 2pql n ALA 118 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 2pql n ALA 118 Cb 0.29 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 2pql n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pql n GLY 119 N 1.29 0.48 0.08 0.00 0.00 -0.57 -4.92 105.19 101.55 2pql n GLY 119 Ca 0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2pql n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pql n LYS 120 N -2.94 0.65 -4.13 1.61 4.76 -0.15 -4.92 118.16 113.04 2pql n LYS 120 Ca -0.01 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 2pql n LYS 120 Cb 0.05 -1.67 -0.11 0.00 -1.84 0.00 0.00 35.03 31.47 2pql n LYS 120 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2pql s VAL 121 N -2.92 0.68 0.84 -0.18 -7.23 -1.19 -5.02 120.40 105.37 2pql s VAL 121 Ca -0.06 -1.56 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 2pql s VAL 121 Cb 0.09 -1.22 0.10 0.00 0.56 0.00 0.00 36.38 35.91 2pql s VAL 121 CO 0.84 -0.63 1.11 -2.16 -0.31 0.00 0.00 175.10 173.94 2pql s PRO 122 N -2.81 1.68 0.53 4.82 0.04 -1.26 -4.51 135.00 133.49 2pql s PRO 122 Ca 0.02 1.26 0.25 0.00 0.04 0.00 0.00 61.00 62.57 2pql s PRO 122 Cb -0.02 -1.82 1.46 0.00 0.04 0.00 0.00 34.50 34.16 2pql s PRO 122 CO -0.02 -2.08 2.11 1.96 0.04 0.00 0.00 177.00 179.02 2pql h GLN 123 N -1.45 0.00 -0.40 4.56 1.08 -1.99 -1.39 115.11 115.52 2pql h GLN 123 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2pql h GLN 123 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2pql h GLN 123 CO 0.48 0.09 0.00 -2.39 -0.95 0.00 0.00 178.83 176.07 2pql n HIS 124 N -3.87 0.52 -1.58 2.96 1.44 -1.26 -4.98 115.22 108.45 2pql n HIS 124 Ca -0.02 -0.26 -0.53 0.00 -2.01 0.00 0.00 57.72 54.89 2pql n HIS 124 Cb 0.19 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.24 2pql n HIS 124 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2pql n GLN 125 N 1.05 0.97 -3.10 -1.40 -0.06 -0.53 -4.99 117.38 109.32 2pql n GLN 125 Ca 0.18 0.35 -0.18 0.00 -2.00 0.00 0.00 57.00 55.35 2pql n GLN 125 Cb 0.48 -1.97 0.01 0.00 -4.06 0.00 0.00 30.24 24.70 2pql n GLN 125 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2pql s ARG 126 N 0.39 2.74 -1.20 3.69 0.52 -1.26 -5.03 118.95 118.80 2pql s ARG 126 Ca 0.85 -1.32 -0.17 0.00 -0.52 0.00 0.00 55.73 54.57 2pql s ARG 126 Cb -1.00 -2.69 0.12 0.00 0.52 0.00 0.00 34.95 31.89 2pql s ARG 126 CO 0.48 -0.31 1.53 -0.47 0.02 0.00 0.00 175.30 176.56 2pql s TYR 127 N -2.40 3.09 0.49 -0.53 5.04 -1.26 -4.76 117.35 117.02 2pql s TYR 127 Ca 0.54 -1.75 0.07 0.00 -2.44 0.00 0.00 57.07 53.50 2pql s TYR 127 Cb -0.09 -4.53 0.02 0.00 0.35 0.00 0.00 41.96 37.72 2pql s TYR 127 CO 0.33 -1.62 0.49 0.95 -1.34 0.00 0.00 175.55 174.36 2pql s THR 128 N 3.06 2.26 0.18 4.34 -4.23 -1.26 -4.96 115.64 115.03 2pql s THR 128 Ca 0.47 -1.29 -0.12 0.00 -1.18 0.00 0.00 61.69 59.57 2pql s THR 128 Cb 0.00 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.39 2pql s THR 128 CO 0.01 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.91 2pql h ALA 129 N 0.72 0.79 -0.22 3.99 0.00 -2.00 -1.51 119.26 121.05 2pql h ALA 129 Ca -0.37 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2pql h ALA 129 Cb 1.28 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2pql h ALA 129 CO 0.53 0.28 -0.13 1.49 0.00 0.00 0.00 179.25 181.41 2pql h GLU 130 N 0.84 -0.12 -0.73 0.00 4.81 -1.96 -2.62 114.58 114.80 2pql h GLU 130 Ca 0.22 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2pql h GLU 130 Cb -0.01 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 2pql h GLU 130 CO -0.04 -0.08 0.41 0.35 -0.73 0.00 0.00 179.01 178.92 2pql h PHE 131 N -0.12 0.75 -0.62 0.92 3.57 -1.76 -0.99 116.94 118.70 2pql h PHE 131 Ca 0.12 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.76 2pql h PHE 131 Cb 0.31 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 2pql h PHE 131 CO -0.30 0.35 0.18 0.28 -2.23 0.00 0.00 178.31 176.59 2pql h VAL 132 N 0.74 0.68 -0.77 1.41 2.07 -1.04 0.51 116.25 119.86 2pql h VAL 132 Ca 0.33 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 2pql h VAL 132 Cb 0.22 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2pql h VAL 132 CO -0.20 0.06 0.31 -0.61 0.02 0.00 0.00 177.57 177.15 2pql h GLN 133 N 0.32 1.14 -0.65 1.57 5.75 -1.04 -1.29 115.11 120.92 2pql h GLN 133 Ca 0.32 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 2pql h GLN 133 Cb 0.46 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2pql h GLN 133 CO -0.37 0.93 0.36 0.82 -2.65 0.00 0.00 178.83 177.92 2pql h ILE 134 N 1.10 1.20 -0.47 2.39 2.04 -0.59 -0.61 117.51 122.58 2pql h ILE 134 Ca 0.26 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2pql h ILE 134 Cb 0.21 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2pql h ILE 134 CO -0.02 0.22 0.20 -0.03 0.00 0.00 0.00 178.15 178.52 2pql h MET 135 N 0.88 0.68 -0.86 2.37 4.05 -0.73 -1.09 114.93 120.22 2pql h MET 135 Ca 0.23 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 2pql h MET 135 Cb 0.03 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 2pql h MET 135 CO -0.04 0.60 0.51 0.87 0.23 0.00 0.00 176.91 179.09 2pql h LYS 136 N 0.61 1.18 -0.19 0.39 1.57 -0.87 -0.63 116.57 118.63 2pql h LYS 136 Ca 0.16 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.62 2pql h LYS 136 Cb 0.16 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.23 2pql h LYS 136 CO -0.02 0.84 -0.70 -0.44 -0.57 0.00 0.00 179.45 178.55 2pql h ASP 137 N 1.19 0.91 -0.33 0.86 3.32 -1.02 -0.78 116.42 120.56 2pql h ASP 137 Ca 0.31 -0.56 0.06 0.00 0.02 0.00 0.00 57.03 56.86 2pql h ASP 137 Cb -0.03 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 2pql h ASP 137 CO -0.06 1.35 0.01 0.22 -1.72 0.00 0.00 179.24 179.05 2pql h TYR 138 N 0.55 -0.00 -0.75 4.55 5.03 -0.99 -1.78 116.97 123.59 2pql h TYR 138 Ca -0.03 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 2pql h TYR 138 Cb 1.32 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.62 2pql h TYR 138 CO 0.08 -0.05 0.31 -0.44 -1.32 0.00 0.00 178.16 176.74 2pql h ASP 139 N 0.11 1.01 -0.53 -2.11 3.32 -1.04 -3.06 116.42 114.12 2pql h ASP 139 Ca 0.16 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2pql h ASP 139 Cb 0.21 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2pql h ASP 139 CO -0.26 0.89 0.14 0.50 -1.72 0.00 0.00 179.24 178.79 2pql h LYS 140 N 1.08 0.90 0.00 3.56 3.64 -0.76 0.53 116.57 125.52 2pql h LYS 140 Ca 0.25 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2pql h LYS 140 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2pql h LYS 140 CO -0.02 0.80 -0.00 0.00 -2.27 0.00 0.00 179.45 177.96 2pql h ALA 141 N 1.29 1.11 -0.38 5.00 0.00 -1.23 -1.55 119.26 123.50 2pql h ALA 141 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pql h ALA 141 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pql h ALA 141 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2pql n LEU 142 N -3.24 3.13 0.00 0.00 4.77 0.04 -4.93 117.00 116.77 2pql n LEU 142 Ca -0.03 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 2pql n LEU 142 Cb 0.07 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2pql n LEU 142 CO 0.22 0.69 0.00 -3.20 -1.33 0.00 0.00 177.39 173.76 2pql n ASN 143 N 1.27 -1.57 0.00 -1.43 5.15 -0.58 -4.99 115.26 113.11 2pql n ASN 143 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 2pql n ASN 143 Cb 0.55 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 2pql n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66