#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1h n SER 2 N 0.00 1.93 -4.83 1.61 7.64 -1.22 -4.95 113.62 113.80 2p1h n SER 2 Ca 0.00 -1.46 -0.33 0.00 1.01 0.00 0.00 58.87 58.09 2p1h n SER 2 Cb 0.00 0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.38 2p1h n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2p1h s MET 3 N -2.34 4.17 0.60 1.43 0.23 -1.21 -4.38 119.30 117.80 2p1h s MET 3 Ca 0.24 0.99 -0.19 0.00 -1.03 0.00 0.00 55.69 55.70 2p1h s MET 3 Cb 0.19 -2.26 -0.03 0.00 -1.53 0.00 0.00 34.83 31.20 2p1h s MET 3 CO 0.48 0.03 1.29 0.16 -2.03 0.00 0.00 175.02 174.95 2p1h s ASP 4 N -2.20 4.96 0.24 -1.18 -4.77 -1.26 -4.79 116.67 107.67 2p1h s ASP 4 Ca 0.59 2.60 -0.05 0.00 -3.30 0.00 0.00 52.55 52.40 2p1h s ASP 4 Cb -0.10 -2.62 0.42 0.00 -1.09 0.00 0.00 42.92 39.53 2p1h s ASP 4 CO 0.14 -1.76 1.76 0.00 0.70 0.00 0.00 175.17 176.01 2p1h h ALA 5 N 0.91 1.06 -0.42 2.11 0.00 -1.99 -1.52 119.26 119.41 2p1h h ALA 5 Ca -0.51 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.55 2p1h h ALA 5 Cb 1.32 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2p1h h ALA 5 CO 0.55 -0.12 0.11 -0.22 0.00 0.00 0.00 179.25 179.57 2p1h h LYS 6 N 0.54 0.25 -0.10 0.00 3.64 -1.91 0.04 116.57 119.02 2p1h h LYS 6 Ca 0.39 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2p1h h LYS 6 Cb 0.52 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2p1h h LYS 6 CO -0.34 0.16 -0.00 0.00 -2.27 0.00 0.00 179.45 177.00 2p1h h ALA 7 N 1.30 0.14 -0.18 5.00 0.00 -1.43 -2.56 119.26 121.53 2p1h h ALA 7 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2p1h h ALA 7 Cb 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2p1h h ALA 7 CO -0.24 -0.17 -0.05 -0.09 0.00 0.00 0.00 179.25 178.70 2p1h h ARG 8 N -0.10 -0.01 -0.32 0.00 2.43 -1.03 -1.47 114.38 113.89 2p1h h ARG 8 Ca 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2p1h h ARG 8 Cb 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2p1h h ARG 8 CO 0.01 -0.01 0.11 -0.91 -1.51 0.00 0.00 179.97 177.66 2p1h h ASN 9 N -0.01 0.41 -0.20 -3.80 -0.26 -1.01 -0.17 115.58 110.54 2p1h h ASN 9 Ca 0.09 -0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 2p1h h ASN 9 Cb 0.15 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2p1h h ASN 9 CO -0.19 0.39 -0.13 0.00 -1.06 0.00 0.00 177.43 176.44 2p1h h LEU 11 N 0.13 1.12 -0.48 0.00 5.85 -0.79 -2.66 115.31 118.48 2p1h h LEU 11 Ca 0.04 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2p1h h LEU 11 Cb 0.63 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2p1h h LEU 11 CO 0.04 0.81 0.21 -0.07 -0.34 0.00 0.00 178.44 179.09 2p1h h LEU 12 N 1.32 0.65 -2.26 2.25 3.38 -0.89 -0.23 115.31 119.54 2p1h h LEU 12 Ca 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2p1h h LEU 12 Cb -0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.43 2p1h h LEU 12 CO -0.08 0.62 0.00 1.56 0.09 0.00 0.00 178.44 180.64 2p1h h GLN 13 N 0.64 0.00 -0.10 1.13 1.08 -1.01 -2.65 115.11 114.19 2p1h h GLN 13 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2p1h h GLN 13 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2p1h h GLN 13 CO -0.02 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 178.58 2p1h n HIS 14 N -2.96 0.17 -0.18 2.96 8.25 -0.92 -4.77 115.22 117.76 2p1h n HIS 14 Ca -0.01 -0.56 -0.01 0.00 -0.26 0.00 0.00 57.72 56.87 2p1h n HIS 14 Cb 0.15 -0.07 0.06 0.00 1.12 0.00 0.00 29.99 31.26 2p1h n HIS 14 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2p1h h ARG 15 N 0.62 0.06 -0.08 -0.41 2.43 -0.67 -2.42 114.38 113.90 2p1h h ARG 15 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2p1h h ARG 15 Cb 0.65 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2p1h h ARG 15 CO 0.01 0.04 -0.05 1.49 -1.51 0.00 0.00 179.97 179.95 2p1h h GLU 16 N 0.06 -0.05 -0.79 0.20 4.81 -1.86 -2.22 114.58 114.74 2p1h h GLU 16 Ca 0.27 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2p1h h GLU 16 Cb 0.42 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2p1h h GLU 16 CO -0.50 -0.03 0.40 0.00 -0.73 0.00 0.00 179.01 178.14 2p1h h ALA 17 N 1.03 1.02 0.17 2.92 0.00 -1.84 -2.60 119.26 119.95 2p1h h ALA 17 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2p1h h ALA 17 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2p1h h ALA 17 CO -0.12 0.56 -0.08 -0.07 0.00 0.00 0.00 179.25 179.55 2p1h h LEU 18 N 1.11 -0.19 -2.46 0.00 3.38 -1.34 -2.80 115.31 113.01 2p1h h LEU 18 Ca 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2p1h h LEU 18 Cb 0.09 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2p1h h LEU 18 CO -0.04 0.03 -0.02 -0.33 0.09 0.00 0.00 178.44 178.16 2p1h h GLU 19 N -0.41 0.00 0.17 1.13 5.08 -1.34 -2.24 114.58 116.98 2p1h h GLU 19 Ca -0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 2p1h h GLU 19 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2p1h h GLU 19 CO 0.04 0.02 -1.41 -0.22 -1.00 0.00 0.00 179.01 176.44 2p1h h LYS 20 N 0.00 0.36 0.00 2.33 3.64 -1.34 -3.40 116.57 118.15 2p1h h LYS 20 Ca -0.00 -0.61 -0.08 0.00 -1.27 0.00 0.00 60.65 58.70 2p1h h LYS 20 Cb 0.09 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2p1h h LYS 20 CO 0.00 1.27 -2.07 -0.25 -2.27 0.00 0.00 179.45 176.14 2p1h n ASP 21 N -3.57 0.07 -4.86 4.20 8.00 -1.05 -4.95 116.55 114.39 2p1h n ASP 21 Ca -0.14 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.05 2p1h n ASP 21 Cb 1.06 1.78 -0.05 0.00 -0.02 0.00 0.00 41.12 43.89 2p1h n ASP 21 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2p1h s ILE 22 N -3.29 4.71 -0.28 0.53 -4.36 -0.87 -5.05 121.20 112.59 2p1h s ILE 22 Ca -0.08 0.85 -0.05 0.00 -0.26 0.00 0.00 60.65 61.11 2p1h s ILE 22 Cb 0.12 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 40.19 2p1h s ILE 22 CO 0.88 -0.32 0.03 -0.54 0.24 0.00 0.00 174.94 175.23 2p1h s LYS 23 N -3.32 2.98 0.39 0.37 1.02 -1.26 -4.81 119.74 115.11 2p1h s LYS 23 Ca 0.53 -0.91 0.10 0.00 0.02 0.00 0.00 55.97 55.71 2p1h s LYS 23 Cb -0.10 -3.24 0.80 0.00 -0.52 0.00 0.00 37.83 34.78 2p1h s LYS 23 CO 0.23 -0.44 1.93 1.79 -0.92 0.00 0.00 175.35 177.94 2p1h h THR 24 N 5.98 1.17 -0.31 2.17 1.35 -1.92 -3.33 112.91 118.02 2p1h h THR 24 Ca -0.31 -0.72 0.05 0.00 -0.55 0.00 0.00 66.41 64.88 2p1h h THR 24 Cb 1.12 1.16 -0.08 0.00 -1.73 0.00 0.00 68.15 68.62 2p1h h THR 24 CO 0.59 0.23 -0.47 0.28 -0.25 0.00 0.00 175.52 175.90 2p1h h SER 25 N 0.24 -1.53 -0.51 5.36 0.02 -1.99 0.12 113.55 115.25 2p1h h SER 25 Ca 0.05 0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2p1h h SER 25 Cb 0.34 0.64 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2p1h h SER 25 CO 0.02 -0.41 0.05 1.88 -1.14 0.00 0.00 176.83 177.23 2p1h h TYR 26 N -0.42 0.94 -0.03 3.45 0.05 -2.00 -2.14 116.97 116.82 2p1h h TYR 26 Ca 0.10 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 2p1h h TYR 26 Cb 0.61 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 2p1h h TYR 26 CO -0.61 0.86 0.01 0.82 -1.05 0.00 0.00 178.16 178.19 2p1h h ILE 27 N 0.75 1.09 -0.70 -2.88 1.08 -1.58 -1.91 117.51 113.36 2p1h h ILE 27 Ca 0.15 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 2p1h h ILE 27 Cb 0.45 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 2p1h h ILE 27 CO 0.02 0.07 0.34 0.24 -0.69 0.00 0.00 178.15 178.12 2p1h h MET 28 N -0.07 1.01 -0.40 2.37 2.86 -0.77 -0.63 114.93 119.30 2p1h h MET 28 Ca 0.01 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2p1h h MET 28 Cb 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2p1h h MET 28 CO -0.00 0.79 0.11 -0.44 1.06 0.00 0.00 176.91 178.43 2p1h h ASP 29 N 0.97 0.54 -0.28 1.22 3.32 -1.29 0.68 116.42 121.58 2p1h h ASP 29 Ca 0.24 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2p1h h ASP 29 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2p1h h ASP 29 CO -0.03 0.53 -0.19 -0.74 -1.72 0.00 0.00 179.24 177.09 2p1h h HIS 30 N 0.58 0.74 -0.56 4.55 2.76 -0.76 -0.38 115.15 122.07 2p1h h HIS 30 Ca 0.14 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 2p1h h HIS 30 Cb 0.20 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2p1h h HIS 30 CO 0.01 0.90 0.18 0.52 -1.30 0.00 0.00 177.93 178.23 2p1h h MET 31 N 0.37 0.87 -0.14 5.26 2.86 -0.43 0.18 114.93 123.89 2p1h h MET 31 Ca 0.06 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2p1h h MET 31 Cb 0.73 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2p1h h MET 31 CO 0.05 0.78 0.03 0.82 1.06 0.00 0.00 176.91 179.65 2p1h h ILE 32 N 0.78 1.21 -0.70 -1.22 2.04 -0.89 0.23 117.51 118.97 2p1h h ILE 32 Ca 0.18 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.44 2p1h h ILE 32 Cb 0.28 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2p1h h ILE 32 CO -0.01 0.20 0.46 -1.28 0.00 0.00 0.00 178.15 177.52 2p1h h SER 33 N 0.02 0.58 1.82 1.72 0.87 -0.84 0.20 113.55 117.92 2p1h h SER 33 Ca 0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2p1h h SER 33 Cb 0.29 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2p1h h SER 33 CO 0.00 0.36 0.00 -0.78 -0.53 0.00 0.00 176.83 175.89 2p1h h ASP 34 N 0.65 0.00 0.00 6.23 1.82 -0.07 -3.48 116.42 121.57 2p1h h ASP 34 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 2p1h h ASP 34 Cb 0.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2p1h h ASP 34 CO -0.10 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.14 2p1h n GLY 35 N 0.92 0.93 0.46 -0.78 0.00 0.71 -5.00 105.19 102.42 2p1h n GLY 35 Ca 0.03 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2p1h n GLY 35 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2p1h n PHE 36 N -2.12 0.40 -3.79 1.61 3.72 0.09 -4.95 117.46 112.42 2p1h n PHE 36 Ca 0.00 -0.68 -0.13 0.00 -0.05 0.00 0.00 57.45 56.59 2p1h n PHE 36 Cb 0.00 -0.13 -0.14 0.00 -0.94 0.00 0.00 39.48 38.28 2p1h n PHE 36 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2p1h s LEU 37 N -1.79 1.10 0.41 4.37 2.96 -1.23 -4.84 118.68 119.67 2p1h s LEU 37 Ca 0.24 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2p1h s LEU 37 Cb 0.18 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.22 2p1h s LEU 37 CO 0.08 -0.10 0.69 0.42 -1.32 0.00 0.00 176.35 176.13 2p1h s THR 38 N 0.64 4.96 0.20 3.68 -4.23 -1.26 -4.24 115.64 115.39 2p1h s THR 38 Ca -0.05 0.07 0.30 0.00 -1.18 0.00 0.00 61.69 60.83 2p1h s THR 38 Cb -0.06 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.27 2p1h s THR 38 CO -0.03 -0.66 1.97 0.16 -0.54 0.00 0.00 174.62 175.51 2p1h h ILE 39 N 0.62 0.29 -0.09 2.99 3.07 -1.99 -0.99 117.51 121.40 2p1h h ILE 39 Ca -0.48 -0.71 -0.19 0.00 1.55 0.00 0.00 64.86 65.04 2p1h h ILE 39 Cb 1.20 1.55 -0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2p1h h ILE 39 CO 0.62 0.10 -0.73 0.28 -1.05 0.00 0.00 178.15 177.37 2p1h h SER 40 N 0.00 0.56 0.13 2.16 0.02 -2.00 -1.24 113.55 113.19 2p1h h SER 40 Ca -0.00 -0.37 -0.22 0.00 -0.84 0.00 0.00 61.79 60.36 2p1h h SER 40 Cb 0.54 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2p1h h SER 40 CO 0.01 1.11 -0.84 -0.33 -1.14 0.00 0.00 176.83 175.64 2p1h h GLU 41 N 0.33 0.56 -0.52 3.45 5.08 -1.81 -3.05 114.58 118.61 2p1h h GLU 41 Ca -0.03 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 2p1h h GLU 41 Cb 1.31 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2p1h h GLU 41 CO 0.13 1.13 0.11 1.49 -1.00 0.00 0.00 179.01 180.87 2p1h h GLU 42 N 0.35 0.84 -0.67 2.33 4.81 -1.11 -2.89 114.58 118.25 2p1h h GLU 42 Ca -0.06 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2p1h h GLU 42 Cb 1.46 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.70 2p1h h GLU 42 CO 0.16 0.82 0.43 1.49 -0.73 0.00 0.00 179.01 181.18 2p1h h GLU 43 N 0.73 0.85 -0.90 1.92 4.22 -1.26 -0.65 114.58 119.49 2p1h h GLU 43 Ca 0.16 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.58 2p1h h GLU 43 Cb 0.37 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2p1h h GLU 43 CO 0.01 0.56 0.60 -0.22 -2.18 0.00 0.00 179.01 177.77 2p1h h LYS 44 N 0.88 1.12 0.01 1.92 3.64 -1.43 -1.31 116.57 121.40 2p1h h LYS 44 Ca 0.25 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2p1h h LYS 44 Cb -0.06 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 2p1h h LYS 44 CO -0.07 0.74 -0.00 0.28 -2.27 0.00 0.00 179.45 178.12 2p1h h VAL 45 N 1.15 1.45 -0.53 2.00 2.07 -1.20 -3.17 116.25 118.01 2p1h h VAL 45 Ca 0.35 -1.39 0.12 0.00 0.82 0.00 0.00 66.70 66.61 2p1h h VAL 45 Cb -0.01 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2p1h h VAL 45 CO -0.10 0.36 0.37 -0.09 0.02 0.00 0.00 177.57 178.13 2p1h h ARG 46 N -0.61 0.16 0.00 1.57 2.43 -0.98 -0.46 114.38 116.49 2p1h h ARG 46 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2p1h h ARG 46 Cb 0.60 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2p1h h ARG 46 CO 0.00 0.11 0.00 -1.71 -1.51 0.00 0.00 179.97 176.86 2p1h n ASN 47 N -4.43 0.00 -4.74 -3.80 2.85 -0.51 -4.70 115.26 99.93 2p1h n ASN 47 Ca 0.09 0.47 -0.40 0.00 -0.11 0.00 0.00 54.58 54.63 2p1h n ASN 47 Cb 0.49 -0.48 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2p1h n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2p1h s GLU 48 N -2.96 4.78 0.38 1.20 0.41 -0.18 -4.99 118.70 117.34 2p1h s GLU 48 Ca 0.03 1.48 0.08 0.00 -0.41 0.00 0.00 54.97 56.14 2p1h s GLU 48 Cb 0.03 -3.32 0.75 0.00 -1.78 0.00 0.00 34.13 29.81 2p1h s GLU 48 CO 0.09 0.38 1.93 -1.00 -0.49 0.00 0.00 175.26 176.16 2p1h h PRO 49 N 4.80 0.36 -5.92 0.39 0.13 -1.89 -3.45 132.00 126.42 2p1h h PRO 49 Ca -0.44 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.06 2p1h h PRO 49 Cb 1.20 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2p1h h PRO 49 CO 0.70 0.42 -0.73 0.95 -0.23 0.00 0.00 178.00 179.10 2p1h s THR 50 N -4.90 2.16 0.09 1.56 -4.23 -1.26 -5.04 115.64 104.02 2p1h s THR 50 Ca -0.06 -2.30 -0.28 0.00 -1.18 0.00 0.00 61.69 57.87 2p1h s THR 50 Cb 0.16 -2.30 -0.14 0.00 1.34 0.00 0.00 72.50 71.55 2p1h s THR 50 CO 0.74 -0.41 1.67 -0.61 -0.54 0.00 0.00 174.62 175.46 2p1h h GLN 51 N 2.31 -0.48 -0.93 3.99 4.15 -1.96 0.12 115.11 122.31 2p1h h GLN 51 Ca -0.40 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.09 2p1h h GLN 51 Cb 1.25 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.99 2p1h h GLN 51 CO 0.63 -0.32 0.61 0.37 -1.93 0.00 0.00 178.83 178.19 2p1h h GLN 52 N -0.50 1.15 -0.58 1.69 -0.00 -1.89 -0.03 115.11 114.95 2p1h h GLN 52 Ca -0.03 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.47 2p1h h GLN 52 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 2p1h h GLN 52 CO 0.02 0.76 0.03 1.96 0.00 0.00 0.00 178.83 181.60 2p1h h GLN 53 N 1.18 0.99 -0.45 1.69 4.20 -1.81 0.16 115.11 121.07 2p1h h GLN 53 Ca 0.37 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2p1h h GLN 53 Cb -0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2p1h h GLN 53 CO -0.12 0.95 -0.07 0.00 -0.67 0.00 0.00 178.83 178.92 2p1h h ARG 54 N 0.92 0.84 -0.53 1.46 3.08 -0.14 -1.58 114.38 118.43 2p1h h ARG 54 Ca 0.17 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2p1h h ARG 54 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2p1h h ARG 54 CO 0.02 0.94 0.26 0.00 -1.07 0.00 0.00 179.97 180.12 2p1h h ALA 55 N 0.88 0.69 -0.76 0.04 0.00 -0.68 -0.52 119.26 118.91 2p1h h ALA 55 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p1h h ALA 55 Cb 0.60 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2p1h h ALA 55 CO 0.04 0.24 0.46 0.00 0.00 0.00 0.00 179.25 179.99 2p1h h ALA 56 N 1.10 0.97 -0.41 0.00 0.00 -0.51 -0.57 119.26 119.83 2p1h h ALA 56 Ca 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2p1h h ALA 56 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2p1h h ALA 56 CO -0.02 0.43 0.02 1.98 0.00 0.00 0.00 179.25 181.66 2p1h h MET 57 N 1.04 0.72 -0.56 0.00 -1.53 -0.97 -0.37 114.93 113.27 2p1h h MET 57 Ca 0.27 -0.22 0.01 0.00 -3.44 0.00 0.00 59.70 56.33 2p1h h MET 57 Cb -0.05 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 30.90 2p1h h MET 57 CO -0.05 0.78 0.36 1.25 0.14 0.00 0.00 176.91 179.39 2p1h h LEU 58 N 0.56 0.60 -0.70 3.39 5.85 -0.73 -1.78 115.31 122.50 2p1h h LEU 58 Ca 0.12 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2p1h h LEU 58 Cb 0.45 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2p1h h LEU 58 CO 0.02 0.43 0.27 0.40 -0.34 0.00 0.00 178.44 179.22 2p1h h ILE 59 N 0.72 1.25 -0.83 4.05 1.08 -0.93 -0.95 117.51 121.89 2p1h h ILE 59 Ca 0.21 -0.79 0.04 0.00 -0.39 0.00 0.00 64.86 63.94 2p1h h ILE 59 Cb -0.04 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 2p1h h ILE 59 CO -0.06 0.31 0.53 0.50 -0.69 0.00 0.00 178.15 178.74 2p1h h LYS 60 N 1.00 0.97 -0.00 2.37 3.64 -0.55 -1.78 116.57 122.22 2p1h h LYS 60 Ca 0.23 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.30 2p1h h LYS 60 Cb 0.22 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2p1h h LYS 60 CO -0.02 0.64 -1.00 0.52 -2.27 0.00 0.00 179.45 177.32 2p1h h MET 61 N 1.00 0.61 -0.92 1.90 2.86 -1.10 -3.13 114.93 116.16 2p1h h MET 61 Ca 0.35 -0.65 0.10 0.00 -2.06 0.00 0.00 59.70 57.43 2p1h h MET 61 Cb 0.07 0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 2p1h h MET 61 CO -0.14 1.26 0.59 0.82 1.06 0.00 0.00 176.91 180.50 2p1h h ILE 62 N 0.35 0.96 0.00 -1.22 1.08 -0.84 0.15 117.51 117.98 2p1h h ILE 62 Ca -0.11 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2p1h h ILE 62 Cb 1.65 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2p1h h ILE 62 CO 0.19 0.17 0.00 -0.07 -0.69 0.00 0.00 178.15 177.75 2p1h h LEU 63 N 0.91 0.00 -1.32 1.44 3.38 -1.28 -1.97 115.31 116.48 2p1h h LEU 63 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2p1h h LEU 63 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2p1h h LEU 63 CO -0.19 0.00 -0.16 0.29 0.09 0.00 0.00 178.44 178.46 2p1h n LYS 64 N -2.98 1.71 -2.80 1.13 5.02 0.50 -4.41 118.16 116.33 2p1h n LYS 64 Ca -0.02 -1.32 -0.22 0.00 -2.02 0.00 0.00 58.31 54.74 2p1h n LYS 64 Cb 0.13 -1.47 0.09 0.00 -0.02 0.00 0.00 35.03 33.76 2p1h n LYS 64 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2p1h s LYS 65 N -2.19 1.95 0.44 1.97 1.02 -0.74 -3.16 119.74 119.02 2p1h s LYS 65 Ca 0.27 -1.37 -0.04 0.00 0.02 0.00 0.00 55.97 54.84 2p1h s LYS 65 Cb 0.20 -2.48 0.09 0.00 -0.52 0.00 0.00 37.83 35.12 2p1h s LYS 65 CO 0.41 -1.19 0.60 -0.40 -0.92 0.00 0.00 175.35 173.85 2p1h n ASP 66 N -2.56 0.36 -0.19 2.83 5.68 -1.26 -3.32 116.55 118.08 2p1h n ASP 66 Ca 0.15 -1.40 -0.07 0.00 -0.50 0.00 0.00 54.79 52.97 2p1h n ASP 66 Cb 0.61 -0.43 0.07 0.00 -1.14 0.00 0.00 41.12 40.23 2p1h n ASP 66 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2p1h h ASN 67 N -0.61 0.97 0.81 -1.12 2.35 -1.94 -2.59 115.58 113.45 2p1h h ASN 67 Ca -0.19 -0.25 -0.06 0.00 -0.55 0.00 0.00 56.30 55.24 2p1h h ASN 67 Cb 0.61 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2p1h h ASN 67 CO 0.17 1.01 -0.27 -2.24 -1.65 0.00 0.00 177.43 174.45 2p1h h ASP 68 N 0.92 0.00 0.59 5.81 2.03 -1.97 -1.56 116.42 122.25 2p1h h ASP 68 Ca 0.17 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.25 2p1h h ASP 68 Cb 0.50 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.00 2p1h h ASP 68 CO 0.02 0.27 -0.97 0.28 -1.03 0.00 0.00 179.24 177.81 2p1h h SER 69 N 0.00 0.31 -0.16 4.15 0.02 -1.85 -2.21 113.55 113.80 2p1h h SER 69 Ca -0.00 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 2p1h h SER 69 Cb 0.74 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2p1h h SER 69 CO 0.03 1.11 -0.29 0.22 -1.14 0.00 0.00 176.83 176.76 2p1h h TYR 70 N 0.11 0.75 -0.30 3.45 3.20 -1.06 -1.56 116.97 121.56 2p1h h TYR 70 Ca -0.06 -0.18 -0.12 0.00 3.14 0.00 0.00 58.73 61.50 2p1h h TYR 70 Cb 1.63 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 2p1h h TYR 70 CO 0.04 0.87 -0.31 0.28 -1.64 0.00 0.00 178.16 177.40 2p1h h VAL 71 N 0.56 1.28 -0.63 1.81 2.07 -1.26 -0.81 116.25 119.27 2p1h h VAL 71 Ca 0.07 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 2p1h h VAL 71 Cb 0.78 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2p1h h VAL 71 CO 0.06 0.46 0.07 -1.28 0.02 0.00 0.00 177.57 176.90 2p1h h SER 72 N 0.53 1.02 -0.26 0.57 0.87 -1.04 0.12 113.55 115.36 2p1h h SER 72 Ca 0.06 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2p1h h SER 72 Cb 0.79 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2p1h h SER 72 CO 0.07 1.03 0.07 0.15 -0.53 0.00 0.00 176.83 177.61 2p1h h PHE 73 N 0.98 0.43 -0.13 2.24 3.57 -1.03 0.14 116.94 123.14 2p1h h PHE 73 Ca 0.19 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.67 2p1h h PHE 73 Cb 0.47 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 2p1h h PHE 73 CO 0.03 0.49 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.64 2p1h h TYR 74 N 0.25 -0.10 -0.31 0.41 3.20 -0.87 -0.36 116.97 119.19 2p1h h TYR 74 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2p1h h TYR 74 Cb 0.27 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 2p1h h TYR 74 CO 0.01 -0.07 0.03 -0.91 -1.64 0.00 0.00 178.16 175.58 2p1h h ASN 75 N -0.02 0.43 -0.33 -2.11 2.35 -0.50 -2.14 115.58 113.26 2p1h h ASN 75 Ca 0.07 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2p1h h ASN 75 Cb 0.12 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2p1h h ASN 75 CO -0.15 0.47 -0.24 0.00 -1.65 0.00 0.00 177.43 175.86 2p1h h ALA 76 N 1.59 0.81 -0.28 -0.83 0.00 -0.09 -2.21 119.26 118.25 2p1h h ALA 76 Ca 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2p1h h ALA 76 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2p1h h ALA 76 CO 0.00 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.97 2p1h h LEU 77 N 0.71 0.36 -1.26 0.00 3.38 -0.57 -0.66 115.31 117.28 2p1h h LEU 77 Ca 0.09 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2p1h h LEU 77 Cb 0.77 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2p1h h LEU 77 CO 0.06 0.38 0.51 -0.07 0.09 0.00 0.00 178.44 179.41 2p1h h LEU 78 N 0.32 0.84 0.00 1.67 3.38 -1.22 -0.91 115.31 119.40 2p1h h LEU 78 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2p1h h LEU 78 Cb 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2p1h h LEU 78 CO -0.01 0.58 -0.91 1.41 0.09 0.00 0.00 178.44 179.60 2p1h n HIS 79 N -4.44 0.47 -0.95 1.13 8.25 -0.85 -4.07 115.22 114.76 2p1h n HIS 79 Ca 0.10 0.14 0.01 0.00 -0.26 0.00 0.00 57.72 57.71 2p1h n HIS 79 Cb 0.10 -0.60 0.36 0.00 1.12 0.00 0.00 29.99 30.97 2p1h n HIS 79 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2p1h n GLU 80 N -2.14 4.43 -2.41 -0.41 -0.58 -0.27 -4.94 120.64 114.33 2p1h n GLU 80 Ca 0.02 -3.12 -0.05 0.00 -0.42 0.00 0.00 57.16 53.59 2p1h n GLU 80 Cb 0.46 -2.25 0.02 0.00 -0.57 0.00 0.00 31.44 29.10 2p1h n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p1h n GLY 81 N 0.30 0.26 2.68 0.62 0.00 -1.20 -5.01 105.19 102.84 2p1h n GLY 81 Ca 0.34 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2p1h n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2p1h n TYR 82 N -1.93 0.93 -0.25 1.61 4.01 -0.36 -4.95 117.16 116.22 2p1h n TYR 82 Ca -0.07 -2.67 0.00 0.00 -0.16 0.00 0.00 57.90 55.01 2p1h n TYR 82 Cb 0.54 -0.24 0.22 0.00 -0.31 0.00 0.00 39.34 39.56 2p1h n TYR 82 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2p1h h LYS 83 N 2.89 1.05 -0.66 -0.72 1.57 -1.84 -1.71 116.57 117.14 2p1h h LYS 83 Ca -0.12 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2p1h h LYS 83 Cb 1.20 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2p1h h LYS 83 CO 0.43 0.70 0.17 -0.44 -0.57 0.00 0.00 179.45 179.74 2p1h h ASP 84 N 1.08 1.00 -0.30 0.86 3.32 -1.95 0.72 116.42 121.15 2p1h h ASP 84 Ca 0.30 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 2p1h h ASP 84 Cb -0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 2p1h h ASP 84 CO -0.07 0.96 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.98 2p1h h LEU 85 N 0.98 0.90 -0.45 1.55 3.38 -1.90 -3.07 115.31 116.69 2p1h h LEU 85 Ca 0.21 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2p1h h LEU 85 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2p1h h LEU 85 CO -0.00 1.17 -0.14 0.00 0.09 0.00 0.00 178.44 179.55 2p1h h ALA 86 N 0.88 0.63 -0.12 1.53 0.00 -1.08 -2.74 119.26 118.36 2p1h h ALA 86 Ca 0.06 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2p1h h ALA 86 Cb 0.94 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2p1h h ALA 86 CO 0.09 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.98 2p1h h ALA 87 N 0.86 2.04 -0.10 0.00 0.00 -0.82 0.12 119.26 121.36 2p1h h ALA 87 Ca 0.11 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2p1h h ALA 87 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2p1h h ALA 87 CO 0.05 -0.15 -0.57 -0.07 0.00 0.00 0.00 179.25 178.51 2p1h h LEU 88 N 0.00 0.36 0.00 0.00 3.38 -1.39 -3.19 115.31 114.46 2p1h h LEU 88 Ca 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2p1h h LEU 88 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2p1h h LEU 88 CO -0.00 0.85 -0.69 0.18 0.09 0.00 0.00 178.44 178.88 2p1h n LEU 89 N -3.91 0.68 -0.10 1.67 4.77 0.02 -4.50 117.00 115.64 2p1h n LEU 89 Ca -0.03 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 2p1h n LEU 89 Cb 0.60 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2p1h n LEU 89 CO 0.45 -0.04 0.59 -0.74 -1.33 0.00 0.00 177.39 176.31 2p1h h HIS 90 N 0.00 -1.19 0.00 -1.77 2.76 -0.85 -1.01 115.15 113.09 2p1h h HIS 90 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2p1h h HIS 90 Cb 0.74 0.57 0.00 0.00 1.55 0.00 0.00 27.41 30.28 2p1h h HIS 90 CO 0.00 -0.44 0.11 -0.40 -1.30 0.00 0.00 177.93 175.90 2p1h n ASP 91 N -5.42 0.39 -0.67 3.26 5.75 -1.26 -1.57 116.55 117.03 2p1h n ASP 91 Ca -0.01 0.64 0.09 0.00 -0.01 0.00 0.00 54.79 55.50 2p1h n ASP 91 Cb 0.35 -0.66 0.06 0.00 -1.03 0.00 0.00 41.12 39.85 2p1h n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2p1h n GLY 92 N -1.31 0.33 3.70 6.12 0.00 -0.39 -4.97 105.19 108.66 2p1h n GLY 92 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2p1h n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p1h s ILE 93 N -1.59 3.92 -1.66 -0.61 -1.09 -0.61 -3.58 121.20 115.99 2p1h s ILE 93 Ca 0.20 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 2p1h s ILE 93 Cb 0.15 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2p1h s ILE 93 CO 0.26 0.03 0.41 -2.65 -1.23 0.00 0.00 174.94 171.77