#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6n s LEU 2 N 0.00 4.12 0.74 7.52 1.02 -1.26 -5.05 118.68 125.77 1a6n s LEU 2 Ca 0.00 1.92 -0.11 0.00 0.02 0.00 0.00 54.13 55.96 1a6n s LEU 2 Cb 0.00 -4.25 0.04 0.00 0.02 0.00 0.00 46.19 42.00 1a6n s LEU 2 CO 0.00 -0.41 1.12 -0.94 0.02 0.00 0.00 176.35 176.14 1a6n s SER 3 N -1.73 5.06 0.27 2.29 1.04 -1.26 -4.86 113.70 114.51 1a6n s SER 3 Ca 0.58 0.96 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 1a6n s SER 3 Cb -0.18 -1.64 0.39 0.00 0.10 0.00 0.00 66.02 64.69 1a6n s SER 3 CO 0.23 -1.57 1.90 -0.08 0.98 0.00 0.00 173.24 174.71 1a6n h GLU 4 N -0.80 1.17 -0.48 4.02 4.57 -1.99 -0.56 114.58 120.50 1a6n h GLU 4 Ca -0.45 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 57.58 1a6n h GLU 4 Cb 1.29 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 1a6n h GLU 4 CO 0.65 0.77 -0.02 0.78 -1.18 0.00 0.00 179.01 180.01 1a6n h GLY 5 N 1.20 0.88 0.90 1.92 0.00 -1.99 -0.34 103.07 105.63 1a6n h GLY 5 Ca 0.41 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1a6n h GLY 5 CO -0.14 0.56 0.05 0.83 0.00 0.00 0.00 176.54 177.83 1a6n h GLU 6 N 0.75 0.54 -0.97 4.80 5.08 -1.75 -2.36 114.58 120.68 1a6n h GLU 6 Ca 0.14 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1a6n h GLU 6 Cb 0.48 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1a6n h GLU 6 CO 0.02 0.64 0.64 -1.49 -1.00 0.00 0.00 179.01 177.82 1a6n h TRP 7 N 0.37 1.21 -0.80 4.33 4.06 -0.76 -1.62 115.95 122.73 1a6n h TRP 7 Ca 0.10 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.11 1a6n h TRP 7 Cb 0.36 -0.41 -0.05 0.00 -1.00 0.00 0.00 29.16 28.06 1a6n h TRP 7 CO 0.03 0.74 0.51 0.37 -3.56 0.00 0.00 178.44 176.52 1a6n h GLN 8 N 1.28 0.95 -0.62 0.49 4.15 -0.86 0.25 115.11 120.76 1a6n h GLN 8 Ca 0.37 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 1a6n h GLN 8 Cb -0.10 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.35 1a6n h GLN 8 CO -0.09 0.63 0.25 -0.07 -1.93 0.00 0.00 178.83 177.61 1a6n h LEU 9 N 0.98 0.85 -0.06 -2.39 3.38 -0.87 -0.31 115.31 116.88 1a6n h LEU 9 Ca 0.33 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a6n h LEU 9 Cb 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1a6n h LEU 9 CO -0.13 0.79 0.03 0.58 0.09 0.00 0.00 178.44 179.80 1a6n h VAL 10 N 0.86 1.11 0.00 1.22 2.07 -0.82 -2.79 116.25 117.90 1a6n h VAL 10 Ca 0.21 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1a6n h VAL 10 Cb 0.20 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1a6n h VAL 10 CO -0.02 0.09 -0.35 -0.07 0.02 0.00 0.00 177.57 177.25 1a6n h LEU 11 N -0.03 0.00 -0.22 2.57 3.38 -0.87 -1.36 115.31 118.78 1a6n h LEU 11 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1a6n h LEU 11 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1a6n h LEU 11 CO -0.00 0.35 -0.05 -0.74 0.09 0.00 0.00 178.44 178.09 1a6n h HIS 12 N 0.00 0.48 -0.19 1.13 2.76 -0.96 -1.15 115.15 117.22 1a6n h HIS 12 Ca -0.00 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 1a6n h HIS 12 Cb 1.10 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1a6n h HIS 12 CO 0.00 0.66 -0.42 -0.24 -1.30 0.00 0.00 177.93 176.63 1a6n h VAL 13 N 0.16 1.31 -0.55 5.26 3.04 -1.43 -3.13 116.25 120.91 1a6n h VAL 13 Ca 0.06 -1.59 -0.02 0.00 -1.01 0.00 0.00 66.70 64.13 1a6n h VAL 13 Cb 0.50 1.62 -0.03 0.00 -2.01 0.00 0.00 31.29 31.38 1a6n h VAL 13 CO 0.02 0.49 0.25 -0.25 -1.01 0.00 0.00 177.57 177.07 1a6n h TRP 14 N 0.38 0.77 -0.16 3.17 2.91 -1.05 -0.91 115.95 121.06 1a6n h TRP 14 Ca 0.03 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1a6n h TRP 14 Cb 0.90 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 1a6n h TRP 14 CO 0.03 0.58 0.02 0.00 -1.03 0.00 0.00 178.44 178.04 1a6n h ALA 15 N 1.50 1.74 -0.55 2.65 0.00 -1.16 -0.64 119.26 122.81 1a6n h ALA 15 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1a6n h ALA 15 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1a6n h ALA 15 CO -0.02 0.20 0.01 0.87 0.00 0.00 0.00 179.25 180.31 1a6n h LYS 16 N 0.22 0.96 -0.69 0.00 1.79 -1.21 -3.10 116.57 114.54 1a6n h LYS 16 Ca 0.06 -0.30 0.04 0.00 -2.18 0.00 0.00 60.65 58.26 1a6n h LYS 16 Cb 0.13 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 1a6n h LYS 16 CO 0.00 0.97 0.42 0.28 -1.08 0.00 0.00 179.45 180.04 1a6n h VAL 17 N 0.84 1.07 0.00 0.50 2.07 -0.66 -2.09 116.25 117.98 1a6n h VAL 17 Ca 0.16 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1a6n h VAL 17 Cb 0.53 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1a6n h VAL 17 CO 0.03 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.15 1a6n n GLU 18 N -4.69 0.29 0.07 1.57 1.02 -0.37 -1.19 120.64 117.35 1a6n n GLU 18 Ca 0.08 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.45 1a6n n GLU 18 Cb 0.11 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.50 1a6n n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a6n n ALA 19 N -1.23 2.14 -2.84 0.62 0.00 -0.78 -4.22 120.51 114.20 1a6n n ALA 19 Ca 0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1a6n n ALA 19 Cb 0.12 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.18 1a6n n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a6n n ASP 20 N -1.98 -2.01 -0.11 0.00 2.03 -0.33 -5.00 116.55 109.15 1a6n n ASP 20 Ca 0.05 -3.35 -0.09 0.00 0.52 0.00 0.00 54.79 51.92 1a6n n ASP 20 Cb 0.35 1.36 -0.01 0.00 -0.72 0.00 0.00 41.12 42.10 1a6n n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1a6n h VAL 21 N 2.70 1.12 -0.56 5.18 2.07 -1.68 -2.12 116.25 122.96 1a6n h VAL 21 Ca -0.08 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1a6n h VAL 21 Cb 1.03 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1a6n h VAL 21 CO 0.29 0.12 0.14 0.00 0.02 0.00 0.00 177.57 178.14 1a6n h ALA 22 N 1.09 0.73 -0.41 1.67 0.00 -1.90 -0.73 119.26 119.71 1a6n h ALA 22 Ca 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1a6n h ALA 22 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1a6n h ALA 22 CO -0.02 0.43 -0.26 0.78 0.00 0.00 0.00 179.25 180.18 1a6n h GLY 23 N 0.79 0.92 1.03 0.00 0.00 -1.91 -1.26 103.07 102.64 1a6n h GLY 23 Ca 0.18 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1a6n h GLY 23 CO 0.00 0.75 0.21 0.45 0.00 0.00 0.00 176.54 177.94 1a6n h HIS 24 N 0.73 1.08 -0.70 5.60 3.86 -1.13 -1.96 115.15 122.62 1a6n h HIS 24 Ca 0.09 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1a6n h HIS 24 Cb 0.80 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1a6n h HIS 24 CO 0.05 0.87 0.22 0.78 0.86 0.00 0.00 177.93 180.71 1a6n h GLY 25 N 0.97 1.16 0.99 2.45 0.00 -0.86 -0.06 103.07 107.73 1a6n h GLY 25 Ca 0.21 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1a6n h GLY 25 CO -0.01 0.63 -0.02 -1.61 0.00 0.00 0.00 176.54 175.54 1a6n h GLN 26 N 1.04 -0.05 -0.82 4.80 4.15 -1.12 -1.07 115.11 122.05 1a6n h GLN 26 Ca 0.23 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1a6n h GLN 26 Cb 0.29 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1a6n h GLN 26 CO -0.01 -0.02 0.51 -0.44 -1.93 0.00 0.00 178.83 176.94 1a6n h ASP 27 N -0.07 0.97 0.11 -0.69 3.32 -0.96 -0.72 116.42 118.38 1a6n h ASP 27 Ca -0.01 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1a6n h ASP 27 Cb 0.05 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1a6n h ASP 27 CO 0.01 0.74 -0.05 0.40 -1.72 0.00 0.00 179.24 178.61 1a6n h ILE 28 N 1.12 1.07 -0.81 0.35 2.04 -0.85 -1.54 117.51 118.89 1a6n h ILE 28 Ca 0.30 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1a6n h ILE 28 Cb -0.07 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1a6n h ILE 28 CO -0.06 0.18 0.42 -0.07 0.00 0.00 0.00 178.15 178.62 1a6n h LEU 29 N -0.49 1.03 -0.50 1.44 3.38 -1.11 -0.91 115.31 118.16 1a6n h LEU 29 Ca -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1a6n h LEU 29 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1a6n h LEU 29 CO 0.02 0.85 0.25 0.40 0.09 0.00 0.00 178.44 180.06 1a6n h ILE 30 N 1.13 1.18 -0.60 1.22 2.04 -1.10 0.68 117.51 122.07 1a6n h ILE 30 Ca 0.28 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1a6n h ILE 30 Cb 0.07 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1a6n h ILE 30 CO -0.04 0.20 0.38 -0.09 0.00 0.00 0.00 178.15 178.60 1a6n h ARG 31 N 0.66 0.73 -0.20 2.37 2.43 -1.07 -0.75 114.38 118.55 1a6n h ARG 31 Ca 0.17 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1a6n h ARG 31 Cb 0.09 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1a6n h ARG 31 CO -0.02 0.48 0.09 1.25 -1.51 0.00 0.00 179.97 180.26 1a6n h LEU 32 N 0.75 0.12 -0.77 3.80 5.85 -0.82 0.20 115.31 124.45 1a6n h LEU 32 Ca 0.23 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1a6n h LEU 32 Cb -0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1a6n h LEU 32 CO -0.08 0.10 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.56 1a6n h PHE 33 N 0.20 0.68 -0.07 1.25 0.04 -0.59 0.12 116.94 118.57 1a6n h PHE 33 Ca 0.08 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1a6n h PHE 33 Cb 0.03 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1a6n h PHE 33 CO -0.10 0.83 -0.15 0.87 -0.60 0.00 0.00 178.31 179.16 1a6n h LYS 34 N 0.51 0.22 0.00 1.51 1.57 -1.06 -3.15 116.57 116.18 1a6n h LYS 34 Ca 0.06 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1a6n h LYS 34 Cb 0.77 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1a6n h LYS 34 CO 0.06 0.74 -0.41 0.77 -0.57 0.00 0.00 179.45 180.04 1a6n h SER 35 N -0.27 0.00 -2.17 0.86 0.02 -0.87 -3.39 113.55 107.73 1a6n h SER 35 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1a6n h SER 35 Cb 0.74 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.92 1a6n h SER 35 CO 0.03 0.41 -0.96 1.41 -1.14 0.00 0.00 176.83 176.58 1a6n n HIS 36 N -3.53 -1.08 0.28 3.45 8.25 0.02 -5.01 115.22 117.60 1a6n n HIS 36 Ca -0.00 -3.19 0.17 0.00 -0.26 0.00 0.00 57.72 54.44 1a6n n HIS 36 Cb 0.54 0.26 0.94 0.00 1.12 0.00 0.00 29.99 32.85 1a6n n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1a6n h PRO 37 N 5.27 0.00 -0.08 -0.41 0.11 -1.75 -0.13 132.00 135.01 1a6n h PRO 37 Ca 0.21 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.35 1a6n h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1a6n h PRO 37 CO 0.36 0.00 0.09 1.05 -0.21 0.00 0.00 178.00 179.29 1a6n h GLU 38 N 0.00 0.00 -0.14 1.05 9.09 -1.93 -2.27 114.58 120.38 1a6n h GLU 38 Ca 0.03 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.28 1a6n h GLU 38 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 1a6n h GLU 38 CO -0.00 0.00 -0.59 1.79 0.05 0.00 0.00 179.01 180.26 1a6n h THR 39 N 0.00 1.34 -0.91 -1.06 1.35 -1.34 -2.92 112.91 109.38 1a6n h THR 39 Ca 0.04 -1.87 0.01 0.00 -0.55 0.00 0.00 66.41 64.03 1a6n h THR 39 Cb 0.22 1.86 -0.05 0.00 -1.73 0.00 0.00 68.15 68.46 1a6n h THR 39 CO -0.00 0.57 0.60 0.25 -0.25 0.00 0.00 175.52 176.69 1a6n h LEU 40 N 0.35 1.04 -2.23 3.87 5.85 -1.55 -2.24 115.31 120.40 1a6n h LEU 40 Ca -0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1a6n h LEU 40 Cb 1.12 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1a6n h LEU 40 CO 0.10 0.75 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.82 1a6n h GLU 41 N 1.22 0.00 0.00 1.25 4.57 -1.50 -1.58 114.58 118.55 1a6n h GLU 41 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1a6n h GLU 41 Cb -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1a6n h GLU 41 CO -0.07 0.06 0.00 1.63 -1.18 0.00 0.00 179.01 179.44 1a6n n LYS 42 N -3.57 0.06 -3.58 1.92 4.76 -0.84 -4.56 118.16 112.35 1a6n n LYS 42 Ca -0.02 0.29 -0.40 0.00 -2.87 0.00 0.00 58.31 55.31 1a6n n LYS 42 Cb 0.17 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.66 1a6n n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1a6n s PHE 43 N -3.09 3.43 0.53 2.13 0.08 -0.60 -4.93 117.98 115.53 1a6n s PHE 43 Ca 0.06 -1.87 0.22 0.00 0.12 0.00 0.00 56.93 55.46 1a6n s PHE 43 Cb 0.10 -3.39 1.36 0.00 -0.57 0.00 0.00 43.02 40.52 1a6n s PHE 43 CO 0.31 -0.97 2.05 -0.44 -0.10 0.00 0.00 175.22 176.07 1a6n h ASP 44 N 8.41 0.00 0.14 1.36 3.32 -1.84 -0.43 116.42 127.37 1a6n h ASP 44 Ca -0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1a6n h ASP 44 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1a6n h ASP 44 CO 0.83 0.00 -0.12 0.03 -1.72 0.00 0.00 179.24 178.25 1a6n h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.93 -3.34 114.38 115.74 1a6n h ARG 45 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1a6n h ARG 45 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1a6n h ARG 45 CO -0.00 0.12 -0.09 1.19 -1.07 0.00 0.00 179.97 180.12 1a6n n PHE 46 N -4.31 0.00 0.85 3.04 3.72 -0.44 -4.77 117.46 115.55 1a6n n PHE 46 Ca -0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 1a6n n PHE 46 Cb 0.20 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.18 1a6n n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1a6n n LYS 47 N -0.87 0.28 0.08 -1.08 2.85 -0.30 -1.04 118.16 118.09 1a6n n LYS 47 Ca 0.00 0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.48 1a6n n LYS 47 Cb 0.00 -1.50 0.45 0.00 -0.65 0.00 0.00 35.03 33.33 1a6n n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1a6n n HIS 48 N -1.25 0.59 -2.58 5.58 1.44 -1.26 -4.80 115.22 112.94 1a6n n HIS 48 Ca 0.09 0.21 -0.42 0.00 -2.01 0.00 0.00 57.72 55.58 1a6n n HIS 48 Cb 0.13 -0.83 -0.03 0.00 0.12 0.00 0.00 29.99 29.37 1a6n n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1a6n s LEU 49 N -4.03 4.36 -0.00 2.39 1.43 -0.20 -4.92 118.68 117.71 1a6n s LEU 49 Ca 0.08 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 1a6n s LEU 49 Cb 0.11 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1a6n s LEU 49 CO 0.44 -0.37 0.08 0.29 0.23 0.00 0.00 176.35 177.02 1a6n n LYS 50 N 4.01 0.30 -4.18 1.70 4.76 -1.26 -5.01 118.16 118.49 1a6n n LYS 50 Ca 0.07 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1a6n n LYS 50 Cb 0.49 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 1a6n n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1a6n s THR 51 N -2.20 0.86 0.19 -0.18 -4.23 -1.26 -5.04 115.64 103.77 1a6n s THR 51 Ca -0.01 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 58.62 1a6n s THR 51 Cb 0.02 -1.49 0.10 0.00 1.34 0.00 0.00 72.50 72.48 1a6n s THR 51 CO 0.14 -0.68 1.82 -0.08 -0.54 0.00 0.00 174.62 175.28 1a6n h GLU 52 N 3.31 0.67 -0.92 3.99 4.81 -1.99 -1.23 114.58 123.22 1a6n h GLU 52 Ca -0.36 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1a6n h GLU 52 Cb 1.18 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1a6n h GLU 52 CO 0.58 0.44 0.57 0.00 -0.73 0.00 0.00 179.01 179.87 1a6n h ALA 53 N 1.27 1.28 -0.75 2.92 0.00 -1.98 0.72 119.26 122.72 1a6n h ALA 53 Ca 0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1a6n h ALA 53 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1a6n h ALA 53 CO -0.11 0.63 0.25 0.93 0.00 0.00 0.00 179.25 180.95 1a6n h GLU 54 N 1.26 1.15 -0.39 0.00 5.08 -1.81 -1.54 114.58 118.32 1a6n h GLU 54 Ca 0.33 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1a6n h GLU 54 Cb -0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1a6n h GLU 54 CO -0.07 0.97 0.25 0.52 -1.00 0.00 0.00 179.01 179.68 1a6n h MET 55 N 1.10 0.48 0.00 2.33 2.86 -0.58 -2.46 114.93 118.67 1a6n h MET 55 Ca 0.24 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1a6n h MET 55 Cb 0.29 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1a6n h MET 55 CO -0.01 0.32 -0.11 0.87 1.06 0.00 0.00 176.91 179.04 1a6n h LYS 56 N 0.50 0.00 -0.00 1.72 1.79 -0.51 -2.67 116.57 117.39 1a6n h LYS 56 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1a6n h LYS 56 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1a6n h LYS 56 CO -0.05 0.11 -0.34 0.00 -1.08 0.00 0.00 179.45 178.09 1a6n n ALA 57 N -2.23 3.23 -2.59 3.86 0.00 -0.61 -4.88 120.51 117.29 1a6n n ALA 57 Ca -0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1a6n n ALA 57 Cb 0.26 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1a6n n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a6n s SER 58 N -2.73 6.60 0.22 0.00 0.15 -1.00 -4.92 113.70 112.02 1a6n s SER 58 Ca 0.19 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 57.23 1a6n s SER 58 Cb 0.19 -2.42 0.19 0.00 -1.71 0.00 0.00 66.02 62.27 1a6n s SER 58 CO 0.59 -0.76 1.64 -0.08 1.20 0.00 0.00 173.24 175.84 1a6n h GLU 59 N 8.45 0.81 -0.53 5.44 4.57 -1.89 -2.63 114.58 128.80 1a6n h GLU 59 Ca -0.24 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 57.58 1a6n h GLU 59 Cb 1.09 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 1a6n h GLU 59 CO 0.93 0.93 0.12 0.22 -1.18 0.00 0.00 179.01 180.02 1a6n h ASP 60 N 0.72 0.76 -0.41 1.04 3.58 -1.97 -0.25 116.42 119.88 1a6n h ASP 60 Ca 0.11 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1a6n h ASP 60 Cb 0.69 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1a6n h ASP 60 CO 0.05 0.75 0.15 0.25 -2.88 0.00 0.00 179.24 177.56 1a6n h LEU 61 N 0.78 0.58 -0.93 2.28 6.46 -1.85 -1.69 115.31 120.95 1a6n h LEU 61 Ca 0.17 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1a6n h LEU 61 Cb 0.30 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.02 1a6n h LEU 61 CO 0.00 0.61 0.59 0.50 -0.62 0.00 0.00 178.44 179.52 1a6n h LYS 62 N 0.52 1.05 -0.43 1.25 3.64 -1.06 -0.39 116.57 121.14 1a6n h LYS 62 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1a6n h LYS 62 Cb 0.23 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1a6n h LYS 62 CO -0.01 0.69 0.22 -0.22 -2.27 0.00 0.00 179.45 177.86 1a6n h LYS 63 N 1.08 0.61 -0.25 1.90 3.64 -0.70 -2.07 116.57 120.78 1a6n h LYS 63 Ca 0.40 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1a6n h LYS 63 Cb 0.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1a6n h LYS 63 CO -0.17 0.52 -0.21 1.25 -2.27 0.00 0.00 179.45 178.57 1a6n h HIS 64 N 0.56 0.50 -1.00 1.91 2.76 -0.78 -1.23 115.15 117.86 1a6n h HIS 64 Ca 0.15 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1a6n h HIS 64 Cb 0.10 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 1a6n h HIS 64 CO -0.01 0.64 0.66 0.78 -1.30 0.00 0.00 177.93 178.70 1a6n h GLY 65 N 0.98 1.42 0.95 5.26 0.00 -0.71 0.42 103.07 111.39 1a6n h GLY 65 Ca 0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1a6n h GLY 65 CO 0.04 0.48 0.09 -2.08 0.00 0.00 0.00 176.54 175.07 1a6n h VAL 66 N 1.33 1.24 -0.48 4.60 2.07 -0.79 -0.96 116.25 123.25 1a6n h VAL 66 Ca 0.38 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1a6n h VAL 66 Cb -0.10 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1a6n h VAL 66 CO -0.09 0.30 0.26 0.74 0.02 0.00 0.00 177.57 178.80 1a6n h THR 67 N 0.58 0.99 0.10 2.57 2.02 -0.47 0.73 112.91 119.44 1a6n h THR 67 Ca 0.13 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1a6n h THR 67 Cb 0.35 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1a6n h THR 67 CO 0.01 0.09 -0.05 0.58 0.37 0.00 0.00 175.52 176.52 1a6n h VAL 68 N 0.52 1.06 -0.05 3.16 2.07 -0.81 -2.49 116.25 119.70 1a6n h VAL 68 Ca 0.21 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1a6n h VAL 68 Cb 0.08 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1a6n h VAL 68 CO -0.13 0.15 -0.44 -0.07 0.02 0.00 0.00 177.57 177.10 1a6n h LEU 69 N -0.42 0.12 -0.27 2.57 3.38 -1.08 -1.03 115.31 118.57 1a6n h LEU 69 Ca -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1a6n h LEU 69 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1a6n h LEU 69 CO 0.02 0.55 0.15 0.74 0.09 0.00 0.00 178.44 179.99 1a6n h THR 70 N 0.09 1.12 -0.52 0.22 2.02 -0.81 0.30 112.91 115.34 1a6n h THR 70 Ca 0.01 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1a6n h THR 70 Cb 0.82 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1a6n h THR 70 CO 0.06 0.12 0.18 0.00 0.37 0.00 0.00 175.52 176.25 1a6n h ALA 71 N 1.03 0.68 -0.52 6.16 0.00 -1.07 -2.08 119.26 123.47 1a6n h ALA 71 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1a6n h ALA 71 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1a6n h ALA 71 CO -0.02 0.32 0.20 1.25 0.00 0.00 0.00 179.25 181.00 1a6n h LEU 72 N 0.71 0.72 -0.84 0.00 5.85 -1.00 -1.99 115.31 118.77 1a6n h LEU 72 Ca 0.17 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1a6n h LEU 72 Cb 0.25 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1a6n h LEU 72 CO -0.01 0.71 0.55 1.23 -0.34 0.00 0.00 178.44 180.58 1a6n h GLY 73 N 0.70 1.18 1.17 3.75 0.00 -0.75 0.27 103.07 109.39 1a6n h GLY 73 Ca 0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1a6n h GLY 73 CO -0.01 0.42 0.41 0.00 0.00 0.00 0.00 176.54 177.35 1a6n h ALA 74 N 1.31 1.26 0.04 3.60 0.00 -1.07 -1.68 119.26 122.72 1a6n h ALA 74 Ca 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1a6n h ALA 74 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1a6n h ALA 74 CO -0.07 0.59 -0.02 0.82 0.00 0.00 0.00 179.25 180.57 1a6n h ILE 75 N 1.09 1.21 -0.98 0.00 2.04 -0.76 -3.20 117.51 116.92 1a6n h ILE 75 Ca 0.27 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.36 1a6n h ILE 75 Cb 0.05 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1a6n h ILE 75 CO -0.04 0.21 0.64 -0.07 0.00 0.00 0.00 178.15 178.88 1a6n h LEU 76 N -0.41 1.05 -0.56 1.44 3.38 -0.67 -1.32 115.31 118.22 1a6n h LEU 76 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a6n h LEU 76 Cb 0.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a6n h LEU 76 CO 0.01 0.70 0.00 0.29 0.09 0.00 0.00 178.44 179.53 1a6n n LYS 77 N -4.48 0.15 0.00 1.13 5.02 -0.66 -1.19 118.16 118.13 1a6n n LYS 77 Ca 0.14 0.39 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1a6n n LYS 77 Cb 0.12 -1.79 0.62 0.00 -0.02 0.00 0.00 35.03 33.96 1a6n n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a6n n LYS 78 N -2.06 0.13 -3.93 1.97 4.76 -0.50 -4.95 118.16 113.58 1a6n n LYS 78 Ca 0.02 0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.24 1a6n n LYS 78 Cb 0.21 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1a6n n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1a6n n LYS 79 N -1.43 -3.20 0.00 1.97 5.02 -0.33 -1.26 118.16 118.93 1a6n n LYS 79 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1a6n n LYS 79 Cb 0.29 -4.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 1a6n n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a6n n GLY 80 N -1.96 3.22 2.51 0.72 0.00 -1.26 -4.94 105.19 103.47 1a6n n GLY 80 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1a6n n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a6n n HIS 81 N -1.19 2.63 -1.08 1.61 8.25 -0.39 -4.63 115.22 120.42 1a6n n HIS 81 Ca 0.00 -2.79 0.07 0.00 -0.26 0.00 0.00 57.72 54.74 1a6n n HIS 81 Cb 0.00 -1.76 0.24 0.00 1.12 0.00 0.00 29.99 29.59 1a6n n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1a6n n HIS 82 N 1.58 0.86 -0.16 4.41 1.44 -1.26 -4.75 115.22 117.34 1a6n n HIS 82 Ca 0.60 -1.02 -0.04 0.00 -2.01 0.00 0.00 57.72 55.25 1a6n n HIS 82 Cb 0.25 -0.33 0.06 0.00 0.12 0.00 0.00 29.99 30.09 1a6n n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1a6n h GLU 83 N 1.44 0.42 -0.15 -1.40 3.07 -2.00 -0.81 114.58 115.15 1a6n h GLU 83 Ca 0.04 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.75 1a6n h GLU 83 Cb 1.43 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1a6n h GLU 83 CO 0.23 0.28 -0.44 0.00 -1.40 0.00 0.00 179.01 177.67 1a6n h ALA 84 N 1.30 0.97 -0.06 3.43 0.00 -2.00 -2.69 119.26 120.20 1a6n h ALA 84 Ca 0.23 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1a6n h ALA 84 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a6n h ALA 84 CO -0.19 0.63 -0.56 0.93 0.00 0.00 0.00 179.25 180.06 1a6n h GLU 85 N 0.29 0.18 0.00 0.00 3.07 -1.77 -3.17 114.58 113.19 1a6n h GLU 85 Ca 0.02 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 1a6n h GLU 85 Cb 0.90 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1a6n h GLU 85 CO 0.07 0.70 -0.30 -0.07 -1.40 0.00 0.00 179.01 178.01 1a6n h LEU 86 N 0.14 0.00 0.08 1.33 3.38 -0.93 -3.34 115.31 115.96 1a6n h LEU 86 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a6n h LEU 86 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1a6n h LEU 86 CO 0.08 0.30 -0.19 0.50 0.09 0.00 0.00 178.44 179.23 1a6n h LYS 87 N 0.00 -0.34 -0.33 1.13 3.64 -1.45 0.30 116.57 119.52 1a6n h LYS 87 Ca -0.00 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1a6n h LYS 87 Cb 1.16 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1a6n h LYS 87 CO 0.04 -0.22 -0.22 -1.00 -2.27 0.00 0.00 179.45 175.77 1a6n h PRO 88 N -0.35 0.64 -0.12 1.90 0.13 -1.75 -1.93 132.00 130.52 1a6n h PRO 88 Ca 0.03 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1a6n h PRO 88 Cb 0.38 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 1a6n h PRO 88 CO -0.12 0.81 -0.07 1.25 -0.23 0.00 0.00 178.00 179.65 1a6n h LEU 89 N 0.56 0.27 -0.97 1.56 5.85 -1.57 -1.17 115.31 119.85 1a6n h LEU 89 Ca 0.08 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1a6n h LEU 89 Cb 0.68 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1a6n h LEU 89 CO 0.05 0.63 0.63 0.00 -0.34 0.00 0.00 178.44 179.41 1a6n h ALA 90 N 0.64 1.27 -0.22 1.25 0.00 -0.40 -0.36 119.26 121.44 1a6n h ALA 90 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a6n h ALA 90 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1a6n h ALA 90 CO 0.02 0.53 0.10 1.96 0.00 0.00 0.00 179.25 181.86 1a6n h GLN 91 N 1.24 0.32 -0.46 0.00 1.08 -1.20 -0.20 115.11 115.89 1a6n h GLN 91 Ca 0.38 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.43 1a6n h GLN 91 Cb -0.02 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1a6n h GLN 91 CO -0.12 0.34 -0.11 0.66 -0.95 0.00 0.00 178.83 178.66 1a6n h SER 92 N 0.22 0.83 0.53 1.46 4.64 -1.05 -0.69 113.55 119.50 1a6n h SER 92 Ca 0.08 -0.26 -0.17 0.00 -0.47 0.00 0.00 61.79 60.97 1a6n h SER 92 Cb 0.13 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1a6n h SER 92 CO -0.01 0.96 -0.75 0.45 -0.87 0.00 0.00 176.83 176.61 1a6n h HIS 93 N 0.76 0.24 0.01 4.77 3.86 -0.92 0.35 115.15 124.22 1a6n h HIS 93 Ca 0.12 -0.12 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 1a6n h HIS 93 Cb 0.61 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 29.06 1a6n h HIS 93 CO 0.03 0.86 -0.70 0.00 0.86 0.00 0.00 177.93 178.98 1a6n h ALA 94 N 1.11 0.07 0.00 2.45 0.00 -0.97 0.47 119.26 122.39 1a6n h ALA 94 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1a6n h ALA 94 Cb 1.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1a6n h ALA 94 CO 0.11 0.41 -1.50 0.25 0.00 0.00 0.00 179.25 178.52 1a6n n THR 95 N -4.15 0.00 0.02 0.00 -2.24 -0.27 -4.29 114.28 103.35 1a6n n THR 95 Ca -0.11 -0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1a6n n THR 95 Cb 0.72 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 1a6n n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a6n n LYS 96 N -1.90 0.11 0.15 -0.78 4.81 -0.27 -4.78 118.16 115.51 1a6n n LYS 96 Ca -0.01 0.04 0.03 0.00 -0.87 0.00 0.00 58.31 57.50 1a6n n LYS 96 Cb 0.39 -0.69 0.12 0.00 0.02 0.00 0.00 35.03 34.87 1a6n n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a6n h HIS 97 N -0.21 0.00 -5.33 5.64 3.86 -0.54 -3.48 115.15 115.10 1a6n h HIS 97 Ca -0.01 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1a6n h HIS 97 Cb 0.25 0.00 0.17 0.00 1.06 0.00 0.00 27.41 28.89 1a6n h HIS 97 CO -0.08 0.50 -0.71 1.63 0.86 0.00 0.00 177.93 180.13 1a6n n LYS 98 N -3.34 -2.03 -3.58 2.45 4.76 -0.01 -4.99 118.16 111.42 1a6n n LYS 98 Ca 0.01 0.91 -0.41 0.00 -2.87 0.00 0.00 58.31 55.96 1a6n n LYS 98 Cb 0.67 -5.63 -0.10 0.00 -1.84 0.00 0.00 35.03 28.13 1a6n n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1a6n s ILE 99 N -3.32 4.47 0.74 -0.18 -1.09 -0.22 -5.03 121.20 116.56 1a6n s ILE 99 Ca 0.38 -1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 57.49 1a6n s ILE 99 Cb -0.05 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1a6n s ILE 99 CO 0.71 -0.41 1.07 -2.65 -1.23 0.00 0.00 174.94 172.43 1a6n n PRO 100 N 4.98 0.50 -0.11 2.79 -0.02 -1.26 -4.79 135.00 137.09 1a6n n PRO 100 Ca -0.11 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1a6n n PRO 100 Cb 0.44 -2.32 0.47 0.00 -0.02 0.00 0.00 33.50 32.07 1a6n n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1a6n h ILE 101 N -0.33 0.90 -0.64 4.25 1.08 -1.98 0.95 117.51 121.75 1a6n h ILE 101 Ca -0.48 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 63.87 1a6n h ILE 101 Cb 1.32 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1a6n h ILE 101 CO 0.47 0.09 0.42 0.50 -0.69 0.00 0.00 178.15 178.94 1a6n h LYS 102 N 0.48 0.71 -0.09 2.37 1.63 -2.00 -0.52 116.57 119.15 1a6n h LYS 102 Ca 0.30 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.95 1a6n h LYS 102 Cb 0.54 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1a6n h LYS 102 CO -0.09 0.47 -0.42 1.88 -3.45 0.00 0.00 179.45 177.84 1a6n h TYR 103 N 0.73 0.24 -0.34 1.91 -1.99 -1.15 -0.56 116.97 115.83 1a6n h TYR 103 Ca 0.26 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 1a6n h TYR 103 Cb 0.12 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1a6n h TYR 103 CO -0.00 0.60 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.64 1a6n h LEU 104 N 0.17 0.52 -0.40 3.88 3.38 -0.93 -0.98 115.31 120.95 1a6n h LEU 104 Ca 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1a6n h LEU 104 Cb 0.82 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1a6n h LEU 104 CO 0.06 0.62 0.19 -0.08 0.09 0.00 0.00 178.44 179.32 1a6n h GLU 105 N 0.51 0.58 -0.50 1.13 4.81 -0.50 -1.27 114.58 119.34 1a6n h GLU 105 Ca 0.10 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1a6n h GLU 105 Cb 0.41 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1a6n h GLU 105 CO 0.02 0.52 0.28 0.74 -0.73 0.00 0.00 179.01 179.84 1a6n h PHE 106 N 0.51 0.68 -0.18 0.92 0.04 -0.71 -1.42 116.94 116.79 1a6n h PHE 106 Ca 0.14 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.81 1a6n h PHE 106 Cb 0.13 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1a6n h PHE 106 CO -0.01 0.49 -0.26 0.97 -0.60 0.00 0.00 178.31 178.91 1a6n h ILE 107 N 0.67 1.25 -0.96 -0.55 2.10 -1.08 -2.04 117.51 116.90 1a6n h ILE 107 Ca 0.18 -1.19 0.01 0.00 1.08 0.00 0.00 64.86 64.94 1a6n h ILE 107 Cb 0.03 1.40 -0.05 0.00 -1.09 0.00 0.00 36.82 37.12 1a6n h ILE 107 CO -0.03 0.37 0.63 0.28 -1.08 0.00 0.00 178.15 178.32 1a6n h SER 108 N 0.29 1.11 -0.76 2.19 0.02 -0.77 0.94 113.55 116.56 1a6n h SER 108 Ca 0.04 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1a6n h SER 108 Cb 0.61 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1a6n h SER 108 CO 0.04 0.80 0.41 -0.33 -1.14 0.00 0.00 176.83 176.62 1a6n h GLU 109 N 1.30 1.07 -0.37 3.45 5.08 -0.77 -0.92 114.58 123.42 1a6n h GLU 109 Ca 0.35 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1a6n h GLU 109 Cb -0.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 1a6n h GLU 109 CO -0.08 0.80 -0.03 0.00 -1.00 0.00 0.00 179.01 178.70 1a6n h ALA 110 N 1.21 0.51 -0.22 3.43 0.00 -0.78 -0.57 119.26 122.83 1a6n h ALA 110 Ca 0.27 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1a6n h ALA 110 Cb 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1a6n h ALA 110 CO -0.04 0.31 -0.08 0.82 0.00 0.00 0.00 179.25 180.26 1a6n h ILE 111 N 0.50 0.71 -0.54 0.00 2.04 -0.56 -0.87 117.51 118.79 1a6n h ILE 111 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1a6n h ILE 111 Cb 0.52 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1a6n h ILE 111 CO 0.03 0.00 0.31 0.40 0.00 0.00 0.00 178.15 178.89 1a6n h ILE 112 N -0.04 1.17 -0.17 -0.67 2.04 -0.93 -0.57 117.51 118.34 1a6n h ILE 112 Ca 0.11 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1a6n h ILE 112 Cb 0.21 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1a6n h ILE 112 CO -0.25 0.18 0.06 -0.74 0.00 0.00 0.00 178.15 177.41 1a6n h HIS 113 N 0.73 0.12 -0.57 1.37 2.76 -0.88 -1.06 115.15 117.61 1a6n h HIS 113 Ca 0.19 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 1a6n h HIS 113 Cb 0.02 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1a6n h HIS 113 CO -0.02 0.06 0.01 0.28 -1.30 0.00 0.00 177.93 176.97 1a6n h VAL 114 N 0.15 1.26 -0.81 5.26 2.07 -0.91 -1.42 116.25 121.86 1a6n h VAL 114 Ca 0.07 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1a6n h VAL 114 Cb 0.04 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1a6n h VAL 114 CO -0.07 0.40 0.51 -0.07 0.02 0.00 0.00 177.57 178.36 1a6n h LEU 115 N 0.89 0.95 -0.66 2.57 3.38 -0.98 0.09 115.31 121.55 1a6n h LEU 115 Ca 0.16 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1a6n h LEU 115 Cb 0.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1a6n h LEU 115 CO 0.03 0.71 -0.11 -0.74 0.09 0.00 0.00 178.44 178.42 1a6n h HIS 116 N 1.11 1.03 -0.26 1.13 2.76 -0.80 0.12 115.15 120.24 1a6n h HIS 116 Ca 0.29 -0.21 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1a6n h HIS 116 Cb -0.08 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 1a6n h HIS 116 CO 0.00 0.98 -0.02 1.03 -1.30 0.00 0.00 177.93 178.62 1a6n h SER 117 N 0.83 0.47 1.24 3.26 0.87 -0.85 -3.10 113.55 116.27 1a6n h SER 117 Ca 0.13 -0.33 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 1a6n h SER 117 Cb 0.65 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1a6n h SER 117 CO 0.05 0.68 -0.79 0.03 -0.53 0.00 0.00 176.83 176.27 1a6n h ARG 118 N 0.24 0.00 -1.24 2.24 3.08 -0.92 -3.40 114.38 114.38 1a6n h ARG 118 Ca 0.07 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.70 1a6n h ARG 118 Cb 0.46 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.10 1a6n h ARG 118 CO 0.02 0.33 -1.11 0.72 -1.07 0.00 0.00 179.97 178.86 1a6n n HIS 119 N -3.05 1.48 -0.30 3.04 8.25 0.40 -4.95 115.22 120.08 1a6n n HIS 119 Ca -0.02 -3.00 0.03 0.00 -0.26 0.00 0.00 57.72 54.47 1a6n n HIS 119 Cb 0.73 -0.34 0.16 0.00 1.12 0.00 0.00 29.99 31.66 1a6n n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1a6n h PRO 120 N 2.93 0.81 0.00 -0.41 0.13 -1.72 -1.18 132.00 132.56 1a6n h PRO 120 Ca -0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1a6n h PRO 120 Cb 1.09 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1a6n h PRO 120 CO 0.57 0.53 0.00 0.78 -0.23 0.00 0.00 178.00 179.65 1a6n h GLY 121 N 0.83 0.00 -0.95 1.56 0.00 -1.92 -2.38 103.07 100.21 1a6n h GLY 121 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1a6n h GLY 121 CO -0.23 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.53 1a6n n ASP 122 N -2.50 2.92 -2.69 0.19 8.00 -0.55 -4.66 116.55 117.25 1a6n n ASP 122 Ca 0.01 -2.39 -0.07 0.00 0.71 0.00 0.00 54.79 53.05 1a6n n ASP 122 Cb 0.21 -0.29 0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1a6n n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1a6n n PHE 123 N -0.18 -0.06 -0.72 1.24 7.35 -0.60 -4.54 117.46 119.95 1a6n n PHE 123 Ca 0.12 -2.40 -0.28 0.00 -0.76 0.00 0.00 57.45 54.13 1a6n n PHE 123 Cb 0.53 0.32 0.25 0.00 0.35 0.00 0.00 39.48 40.93 1a6n n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1a6n n GLY 124 N -0.37 -3.19 0.33 7.13 0.00 -1.21 -4.54 105.19 103.33 1a6n n GLY 124 Ca 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 1a6n n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6n h ALA 125 N -3.00 1.35 -0.37 4.61 0.00 -1.98 0.50 119.26 120.37 1a6n h ALA 125 Ca -0.38 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1a6n h ALA 125 Cb 1.20 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1a6n h ALA 125 CO 0.24 0.51 0.14 -0.44 0.00 0.00 0.00 179.25 179.70 1a6n h ASP 126 N 0.91 0.16 -0.12 0.00 3.32 -2.00 0.56 116.42 119.26 1a6n h ASP 126 Ca 0.23 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 1a6n h ASP 126 Cb 0.07 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1a6n h ASP 126 CO -0.03 0.13 -0.36 0.00 -1.72 0.00 0.00 179.24 177.26 1a6n h ALA 127 N 1.23 0.85 -0.35 3.45 0.00 -1.65 -1.60 119.26 121.20 1a6n h ALA 127 Ca 0.17 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1a6n h ALA 127 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a6n h ALA 127 CO -0.16 0.64 0.23 0.37 0.00 0.00 0.00 179.25 180.32 1a6n h GLN 128 N 0.53 0.45 -0.69 0.00 4.15 -0.62 -0.09 115.11 118.84 1a6n h GLN 128 Ca 0.05 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1a6n h GLN 128 Cb 0.86 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 1a6n h GLN 128 CO 0.07 0.30 0.45 0.78 -1.93 0.00 0.00 178.83 178.50 1a6n h GLY 129 N 0.46 0.98 0.92 2.39 0.00 -0.72 -0.33 103.07 106.77 1a6n h GLY 129 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1a6n h GLY 129 CO -0.03 0.34 0.09 0.00 0.00 0.00 0.00 176.54 176.94 1a6n h ALA 130 N 1.26 0.49 -0.72 3.60 0.00 -1.05 -1.06 119.26 121.78 1a6n h ALA 130 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a6n h ALA 130 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1a6n h ALA 130 CO -0.07 0.15 0.26 1.98 0.00 0.00 0.00 179.25 181.58 1a6n h MET 131 N 0.45 1.09 -0.89 0.00 -1.53 -0.89 -0.86 114.93 112.30 1a6n h MET 131 Ca 0.12 -0.21 0.04 0.00 -3.44 0.00 0.00 59.70 56.20 1a6n h MET 131 Cb 0.30 -0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 31.12 1a6n h MET 131 CO 0.00 0.91 0.57 -0.97 0.14 0.00 0.00 176.91 177.57 1a6n h ASN 132 N 1.04 0.95 -0.52 1.39 -1.24 -0.85 -0.75 115.58 115.60 1a6n h ASN 132 Ca 0.24 -0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 1a6n h ASN 132 Cb 0.25 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 1a6n h ASN 132 CO -0.01 0.64 0.05 0.50 -1.29 0.00 0.00 177.43 177.32 1a6n h LYS 133 N 1.10 0.93 -0.51 6.67 3.64 -0.58 0.69 116.57 128.51 1a6n h LYS 133 Ca 0.36 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1a6n h LYS 133 Cb 0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1a6n h LYS 133 CO -0.12 0.89 0.09 0.00 -2.27 0.00 0.00 179.45 178.03 1a6n h ALA 134 N 1.18 0.68 -0.06 5.00 0.00 -0.67 -0.93 119.26 124.46 1a6n h ALA 134 Ca 0.17 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1a6n h ALA 134 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a6n h ALA 134 CO 0.02 0.41 -0.65 -0.07 0.00 0.00 0.00 179.25 178.96 1a6n h LEU 135 N 0.72 0.27 -0.67 0.00 3.38 -0.89 -2.04 115.31 116.10 1a6n h LEU 135 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a6n h LEU 135 Cb 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1a6n h LEU 135 CO 0.01 0.84 0.39 -0.33 0.09 0.00 0.00 178.44 179.44 1a6n h GLU 136 N 0.17 0.91 -0.42 1.13 5.08 -0.65 -1.34 114.58 119.46 1a6n h GLU 136 Ca -0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1a6n h GLU 136 Cb 1.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1a6n h GLU 136 CO 0.10 0.67 0.22 1.25 -1.00 0.00 0.00 179.01 180.25 1a6n h LEU 137 N 0.91 0.53 -0.29 1.33 5.85 -0.94 0.12 115.31 122.81 1a6n h LEU 137 Ca 0.24 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1a6n h LEU 137 Cb 0.00 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 1a6n h LEU 137 CO -0.04 0.48 -0.24 0.15 -0.34 0.00 0.00 178.44 178.45 1a6n h PHE 138 N 0.54 -0.62 -0.61 1.25 3.57 -1.22 -1.38 116.94 118.46 1a6n h PHE 138 Ca 0.15 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1a6n h PHE 138 Cb 0.07 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1a6n h PHE 138 CO -0.02 -0.31 0.22 0.00 -2.23 0.00 0.00 178.31 175.97 1a6n h ARG 139 N -0.22 0.93 -0.30 1.11 3.08 -0.85 -1.28 114.38 116.85 1a6n h ARG 139 Ca 0.15 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1a6n h ARG 139 Cb 0.46 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1a6n h ARG 139 CO -0.42 0.81 0.05 -0.22 -1.07 0.00 0.00 179.97 179.12 1a6n h LYS 140 N 0.86 0.15 -0.26 0.04 3.64 -0.47 0.77 116.57 121.30 1a6n h LYS 140 Ca 0.20 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1a6n h LYS 140 Cb 0.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1a6n h LYS 140 CO -0.01 0.10 -0.45 -0.44 -2.27 0.00 0.00 179.45 176.37 1a6n h ASP 141 N 0.15 0.71 -0.57 4.20 3.32 -1.02 -1.75 116.42 121.46 1a6n h ASP 141 Ca 0.14 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1a6n h ASP 141 Cb 0.15 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1a6n h ASP 141 CO -0.19 1.06 0.08 0.40 -1.72 0.00 0.00 179.24 178.87 1a6n h ILE 142 N 0.53 1.26 -0.96 0.35 2.04 -1.05 -2.98 117.51 116.69 1a6n h ILE 142 Ca 0.03 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1a6n h ILE 142 Cb 0.99 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1a6n h ILE 142 CO 0.09 0.36 0.63 0.00 0.00 0.00 0.00 178.15 179.24 1a6n h ALA 143 N 1.00 1.40 -0.69 1.87 0.00 -0.59 0.60 119.26 122.85 1a6n h ALA 143 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1a6n h ALA 143 Cb 0.43 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1a6n h ALA 143 CO 0.01 0.50 0.20 0.00 0.00 0.00 0.00 179.25 179.96 1a6n h ALA 144 N 1.45 1.05 -0.37 0.00 0.00 -1.18 -0.08 119.26 120.14 1a6n h ALA 144 Ca 0.39 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1a6n h ALA 144 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1a6n h ALA 144 CO -0.13 0.63 -0.30 0.87 0.00 0.00 0.00 179.25 180.33 1a6n h LYS 145 N 1.02 0.85 -0.48 0.00 1.79 -1.20 -2.09 116.57 116.47 1a6n h LYS 145 Ca 0.22 -0.42 0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1a6n h LYS 145 Cb 0.31 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1a6n h LYS 145 CO -0.00 1.06 0.18 1.88 -1.08 0.00 0.00 179.45 181.49 1a6n h TYR 146 N 0.64 0.32 -0.52 -1.35 -1.99 -0.57 -2.13 116.97 111.37 1a6n h TYR 146 Ca 0.07 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1a6n h TYR 146 Cb 0.88 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 1a6n h TYR 146 CO 0.06 0.11 0.28 -0.22 -0.00 0.00 0.00 178.16 178.39 1a6n h LYS 147 N 0.36 0.74 -0.68 4.88 3.64 -0.80 -0.96 116.57 123.75 1a6n h LYS 147 Ca 0.23 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1a6n h LYS 147 Cb 0.22 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1a6n h LYS 147 CO -0.22 0.58 0.30 1.49 -2.27 0.00 0.00 179.45 179.33 1a6n h GLU 148 N 0.70 0.49 0.00 1.90 4.81 -1.08 -2.11 114.58 119.29 1a6n h GLU 148 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1a6n h GLU 148 Cb 0.07 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1a6n h GLU 148 CO -0.03 0.33 0.00 1.28 -0.73 0.00 0.00 179.01 179.86 1a6n n LEU 149 N -4.93 0.00 -0.48 1.64 4.77 -0.75 -4.91 117.00 112.35 1a6n n LEU 149 Ca 0.11 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1a6n n LEU 149 Cb 0.29 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1a6n n LEU 149 CO 0.23 0.00 -0.06 0.61 -1.33 0.00 0.00 177.39 176.84 1a6n n GLY 150 N 0.87 0.42 0.33 -0.72 0.00 -0.62 -5.07 105.19 100.40 1a6n n GLY 150 Ca 0.22 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1a6n n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60