#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oj6 n GLU 5 N 0.00 1.02 -0.11 -0.52 4.07 -1.26 -4.82 120.64 119.02 1oj6 n GLU 5 Ca 0.00 0.22 -0.07 0.00 -0.06 0.00 0.00 57.16 57.25 1oj6 n GLU 5 Cb 0.00 -2.59 -0.01 0.00 -0.06 0.00 0.00 31.44 28.78 1oj6 n GLU 5 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1oj6 h PRO 6 N 13.88 -0.21 -0.80 5.31 0.11 -1.99 -2.66 132.00 145.64 1oj6 h PRO 6 Ca -0.25 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 1oj6 h PRO 6 Cb 1.30 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.42 1oj6 h PRO 6 CO 1.08 -0.14 0.48 1.49 -0.21 0.00 0.00 178.00 180.71 1oj6 h GLU 7 N -0.22 1.08 -0.78 1.05 4.57 -1.99 0.13 114.58 118.42 1oj6 h GLU 7 Ca 0.18 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1oj6 h GLU 7 Cb 0.51 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1oj6 h GLU 7 CO -0.52 0.76 0.50 -0.07 -1.18 0.00 0.00 179.01 178.50 1oj6 h LEU 8 N 1.09 0.85 0.28 1.64 3.38 -1.89 0.82 115.31 121.48 1oj6 h LEU 8 Ca 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1oj6 h LEU 8 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1oj6 h LEU 8 CO -0.05 0.59 -0.13 0.40 0.09 0.00 0.00 178.44 179.34 1oj6 h ILE 9 N 1.00 0.74 -0.30 1.22 1.08 -1.11 -2.77 117.51 117.38 1oj6 h ILE 9 Ca 0.30 -0.61 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1oj6 h ILE 9 Cb -0.03 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 1oj6 h ILE 9 CO -0.10 0.12 0.06 0.03 -0.69 0.00 0.00 178.15 177.57 1oj6 h ARG 10 N -0.71 0.16 -0.42 2.37 3.08 -0.58 -0.52 114.38 117.76 1oj6 h ARG 10 Ca -0.04 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1oj6 h ARG 10 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1oj6 h ARG 10 CO 0.06 0.11 -0.08 -0.56 -1.07 0.00 0.00 179.97 178.43 1oj6 h GLN 11 N 0.17 0.73 -0.22 0.04 3.07 -0.93 -2.83 115.11 115.15 1oj6 h GLN 11 Ca 0.14 -0.22 -0.20 0.00 0.09 0.00 0.00 58.65 58.45 1oj6 h GLN 11 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1oj6 h GLN 11 CO -0.18 0.79 -0.66 0.66 0.09 0.00 0.00 178.83 179.53 1oj6 h SER 12 N 0.67 0.93 -0.45 0.06 4.64 -1.22 -3.16 113.55 115.02 1oj6 h SER 12 Ca 0.12 -0.56 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1oj6 h SER 12 Cb 0.53 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1oj6 h SER 12 CO 0.03 1.35 0.30 -0.25 -0.87 0.00 0.00 176.83 177.39 1oj6 h TRP 13 N 0.59 0.48 0.00 4.77 -0.00 -0.99 -1.13 115.95 119.67 1oj6 h TRP 13 Ca -0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 1oj6 h TRP 13 Cb 1.28 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 30.28 1oj6 h TRP 13 CO 0.08 0.29 -0.05 0.00 -0.00 0.00 0.00 178.44 178.75 1oj6 h ARG 14 N 0.51 0.00 0.00 2.65 3.08 -1.46 0.37 114.38 119.52 1oj6 h ARG 14 Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1oj6 h ARG 14 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1oj6 h ARG 14 CO -0.04 0.05 -0.30 0.00 -1.07 0.00 0.00 179.97 178.60 1oj6 h ALA 15 N 1.95 1.12 0.00 0.04 0.00 -1.31 -3.28 119.26 117.79 1oj6 h ALA 15 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1oj6 h ALA 15 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1oj6 h ALA 15 CO 0.01 0.38 -1.61 1.33 0.00 0.00 0.00 179.25 179.36 1oj6 n VAL 16 N -3.64 0.30 -0.25 0.00 0.24 -0.34 -4.59 118.33 110.06 1oj6 n VAL 16 Ca -0.01 -0.34 0.07 0.00 -2.04 0.00 0.00 64.34 62.02 1oj6 n VAL 16 Cb 0.42 -0.16 0.31 0.00 -1.47 0.00 0.00 33.84 32.95 1oj6 n VAL 16 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1oj6 h SER 17 N 0.00 0.76 -0.43 -1.34 0.02 -0.39 -2.40 113.55 109.77 1oj6 h SER 17 Ca -0.12 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1oj6 h SER 17 Cb 0.99 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.29 1oj6 h SER 17 CO 0.01 0.47 -0.33 0.08 -1.14 0.00 0.00 176.83 175.91 1oj6 h ARG 18 N 0.85 -0.23 -2.86 3.45 0.11 -1.81 -3.22 114.38 110.67 1oj6 h ARG 18 Ca 0.38 0.02 -0.62 0.00 0.10 0.00 0.00 59.98 59.85 1oj6 h ARG 18 Cb 0.35 0.05 -0.41 0.00 1.11 0.00 0.00 29.97 31.07 1oj6 h ARG 18 CO -0.15 -0.15 -0.51 0.43 0.10 0.00 0.00 179.97 179.68 1oj6 n SER 19 N -5.42 3.39 -0.10 0.08 7.64 -0.90 -4.96 113.62 113.34 1oj6 n SER 19 Ca 0.01 -3.28 -0.06 0.00 1.01 0.00 0.00 58.87 56.56 1oj6 n SER 19 Cb 0.34 -0.77 0.01 0.00 -1.01 0.00 0.00 64.21 62.78 1oj6 n SER 19 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1oj6 h PRO 20 N 5.10 -0.05 -0.34 1.43 0.11 -1.57 -2.84 132.00 133.84 1oj6 h PRO 20 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1oj6 h PRO 20 Cb 0.73 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1oj6 h PRO 20 CO 0.77 -0.04 0.18 1.25 -0.21 0.00 0.00 178.00 179.96 1oj6 h LEU 21 N -0.06 0.43 -0.53 2.35 5.85 -1.92 0.22 115.31 121.65 1oj6 h LEU 21 Ca 0.18 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1oj6 h LEU 21 Cb 0.33 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1oj6 h LEU 21 CO -0.41 0.40 0.34 -0.08 -0.34 0.00 0.00 178.44 178.35 1oj6 h GLU 22 N 0.42 0.66 -0.05 1.25 4.57 -1.94 0.14 114.58 119.63 1oj6 h GLU 22 Ca 0.12 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 1oj6 h GLU 22 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1oj6 h GLU 22 CO -0.02 0.44 -0.73 0.45 -1.18 0.00 0.00 179.01 177.97 1oj6 h HIS 23 N 0.68 0.37 -0.18 0.92 3.86 -1.30 -2.75 115.15 116.76 1oj6 h HIS 23 Ca 0.21 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1oj6 h HIS 23 Cb -0.03 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1oj6 h HIS 23 CO -0.05 0.91 -0.18 0.78 0.86 0.00 0.00 177.93 180.25 1oj6 h GLY 24 N 1.53 0.32 1.90 2.45 0.00 -0.24 -2.07 103.07 106.96 1oj6 h GLY 24 Ca -0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1oj6 h GLY 24 CO 0.12 0.20 -0.67 -0.91 0.00 0.00 0.00 176.54 175.28 1oj6 h THR 25 N 0.28 1.45 -0.54 4.70 1.35 -0.74 -2.22 112.91 117.18 1oj6 h THR 25 Ca 0.05 -2.23 -0.11 0.00 -0.55 0.00 0.00 66.41 63.57 1oj6 h THR 25 Cb 0.48 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1oj6 h THR 25 CO 0.03 0.64 -0.10 0.58 -0.25 0.00 0.00 175.52 176.42 1oj6 h VAL 26 N 0.07 1.27 -0.16 6.82 2.07 -1.18 -1.33 116.25 123.80 1oj6 h VAL 26 Ca -0.01 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1oj6 h VAL 26 Cb 1.20 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1oj6 h VAL 26 CO 0.09 0.44 0.09 0.25 0.02 0.00 0.00 177.57 178.47 1oj6 h LEU 27 N 0.90 0.20 -1.08 2.57 6.46 -1.18 -2.84 115.31 120.34 1oj6 h LEU 27 Ca 0.14 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.73 1oj6 h LEU 27 Cb 0.66 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1oj6 h LEU 27 CO 0.05 0.22 -0.44 -0.26 -0.62 0.00 0.00 178.44 177.39 1oj6 h PHE 28 N 0.17 0.05 -0.17 1.25 -1.00 -1.31 -1.05 116.94 114.89 1oj6 h PHE 28 Ca 0.06 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1oj6 h PHE 28 Cb 0.06 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1oj6 h PHE 28 CO -0.04 0.48 0.08 0.00 -1.61 0.00 0.00 178.31 177.22 1oj6 h ALA 29 N 1.52 0.21 -0.58 2.45 0.00 -1.13 0.12 119.26 121.85 1oj6 h ALA 29 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1oj6 h ALA 29 Cb 0.79 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1oj6 h ALA 29 CO 0.06 -0.23 0.21 -0.09 0.00 0.00 0.00 179.25 179.20 1oj6 h ARG 30 N 0.15 0.88 -0.47 0.00 9.65 -1.34 -1.15 114.38 122.09 1oj6 h ARG 30 Ca 0.06 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1oj6 h ARG 30 Cb 0.11 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1oj6 h ARG 30 CO -0.01 0.77 0.27 1.25 2.80 0.00 0.00 179.97 185.05 1oj6 h LEU 31 N 0.80 0.43 -0.68 3.80 5.85 -0.89 -1.16 115.31 123.46 1oj6 h LEU 31 Ca 0.19 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 1oj6 h LEU 31 Cb 0.23 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1oj6 h LEU 31 CO -0.01 0.31 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.74 1oj6 h PHE 32 N 0.54 0.68 -0.77 1.25 0.04 -0.83 0.36 116.94 118.22 1oj6 h PHE 32 Ca 0.19 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1oj6 h PHE 32 Cb 0.03 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1oj6 h PHE 32 CO -0.07 0.88 0.32 0.00 -0.60 0.00 0.00 178.31 178.84 1oj6 h ALA 33 N 1.10 1.12 0.07 2.45 0.00 -0.88 -2.00 119.26 121.11 1oj6 h ALA 33 Ca 0.04 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 1oj6 h ALA 33 Cb 0.89 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1oj6 h ALA 33 CO 0.08 0.64 -1.07 -0.07 0.00 0.00 0.00 179.25 178.83 1oj6 h LEU 34 N 1.11 0.82 -6.75 0.00 3.38 -0.87 -3.40 115.31 109.61 1oj6 h LEU 34 Ca 0.26 -0.79 -0.61 0.00 0.09 0.00 0.00 57.88 56.83 1oj6 h LEU 34 Cb 0.19 -0.26 -0.40 0.00 0.09 0.00 0.00 40.66 40.28 1oj6 h LEU 34 CO -0.02 1.52 -0.77 -1.61 0.09 0.00 0.00 178.44 177.65 1oj6 s GLU 35 N -3.09 1.68 0.49 1.13 2.02 0.09 -4.98 118.70 116.03 1oj6 s GLU 35 Ca -0.10 -2.70 0.21 0.00 0.02 0.00 0.00 54.97 52.39 1oj6 s GLU 35 Cb 0.05 -2.44 1.25 0.00 0.10 0.00 0.00 34.13 33.10 1oj6 s GLU 35 CO 0.91 -1.33 1.99 -1.35 0.02 0.00 0.00 175.26 175.50 1oj6 h PRO 36 N 5.59 0.16 0.00 0.39 0.11 -1.59 -2.05 132.00 134.61 1oj6 h PRO 36 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1oj6 h PRO 36 Cb 0.84 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1oj6 h PRO 36 CO 0.54 0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 1oj6 n ASP 37 N -4.43 0.00 0.07 -2.05 8.00 -1.26 -2.10 116.55 114.78 1oj6 n ASP 37 Ca 0.10 -0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.35 1oj6 n ASP 37 Cb 0.52 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.41 1oj6 n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1oj6 h LEU 38 N 0.00 0.00 -0.58 0.64 3.38 -1.73 -3.34 115.31 113.68 1oj6 h LEU 38 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1oj6 h LEU 38 Cb 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1oj6 h LEU 38 CO 0.00 0.92 0.23 0.25 0.09 0.00 0.00 178.44 179.93 1oj6 h LEU 39 N 0.00 0.24 -1.91 1.67 5.85 -1.63 -1.63 115.31 117.90 1oj6 h LEU 39 Ca -0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1oj6 h LEU 39 Cb 1.67 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1oj6 h LEU 39 CO 0.12 0.15 0.02 -0.65 -0.34 0.00 0.00 178.44 177.74 1oj6 h PRO 40 N 0.42 0.00 0.00 5.25 0.11 -1.79 -2.65 132.00 133.34 1oj6 h PRO 40 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1oj6 h PRO 40 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1oj6 h PRO 40 CO -0.28 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.79 1oj6 n LEU 41 N -2.52 0.06 -4.41 2.35 4.77 -0.61 -4.47 117.00 112.18 1oj6 n LEU 41 Ca -0.02 0.51 -0.44 0.00 -0.03 0.00 0.00 56.01 56.03 1oj6 n LEU 41 Cb 0.06 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1oj6 n LEU 41 CO 0.13 -0.17 0.40 -0.36 -1.33 0.00 0.00 177.39 176.06 1oj6 s PHE 42 N -3.02 3.00 -0.29 -1.77 0.08 -1.00 -5.01 117.98 109.97 1oj6 s PHE 42 Ca 0.10 -0.75 -0.00 0.00 0.12 0.00 0.00 56.93 56.40 1oj6 s PHE 42 Cb 0.13 -3.83 0.05 0.00 -0.57 0.00 0.00 43.02 38.80 1oj6 s PHE 42 CO 0.38 -1.21 -0.04 -0.65 -0.10 0.00 0.00 175.22 173.61 1oj6 s GLN 43 N 2.76 2.39 -0.05 0.44 -0.21 -1.26 -4.43 119.66 119.29 1oj6 s GLN 43 Ca 0.14 -1.28 0.06 0.00 0.02 0.00 0.00 55.36 54.30 1oj6 s GLN 43 Cb -0.21 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.70 1oj6 s GLN 43 CO 0.09 -0.60 -0.25 0.71 -2.12 0.00 0.00 175.29 173.12 1oj6 s TYR 44 N 1.21 2.42 -1.04 0.91 2.02 -1.15 -4.74 117.35 116.97 1oj6 s TYR 44 Ca -0.06 -0.69 -0.09 0.00 -0.37 0.00 0.00 57.07 55.86 1oj6 s TYR 44 Cb -0.20 -1.58 0.08 0.00 -0.40 0.00 0.00 41.96 39.85 1oj6 s TYR 44 CO -0.02 -0.20 0.33 0.27 -1.57 0.00 0.00 175.55 174.36 1oj6 n ASN 45 N 2.89 -2.73 0.00 2.29 0.23 -1.26 0.09 115.26 116.77 1oj6 n ASN 45 Ca -0.17 -0.25 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 1oj6 n ASN 45 Cb 0.52 -2.32 0.00 0.00 -2.08 0.00 0.00 39.78 35.89 1oj6 n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1oj6 n GLY 46 N -0.95 0.39 3.64 4.83 0.00 -1.26 -5.06 105.19 106.78 1oj6 n GLY 46 Ca -0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1oj6 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oj6 s ARG 47 N -2.51 2.00 0.26 1.61 1.81 0.11 -5.16 118.95 117.07 1oj6 s ARG 47 Ca 0.00 -2.19 0.02 0.00 -1.72 0.00 0.00 55.73 51.83 1oj6 s ARG 47 Cb 0.00 -1.38 -0.03 0.00 -0.45 0.00 0.00 34.95 33.08 1oj6 s ARG 47 CO 0.00 -0.23 0.23 -0.65 -0.68 0.00 0.00 175.30 173.98 1oj6 s GLN 48 N -3.80 1.49 -0.10 3.54 1.11 -1.26 -2.94 119.66 117.70 1oj6 s GLN 48 Ca 0.24 -1.78 -0.02 0.00 0.01 0.00 0.00 55.36 53.81 1oj6 s GLN 48 Cb 0.06 0.31 -0.03 0.00 -1.01 0.00 0.00 33.01 32.34 1oj6 s GLN 48 CO 0.12 -0.54 -0.01 -0.06 0.01 0.00 0.00 175.29 174.81 1oj6 s PHE 49 N -3.79 3.11 -0.80 0.91 0.08 -1.26 -5.01 117.98 111.22 1oj6 s PHE 49 Ca 0.38 0.08 0.24 0.00 0.12 0.00 0.00 56.93 57.76 1oj6 s PHE 49 Cb 0.04 -1.82 0.32 0.00 -0.57 0.00 0.00 43.02 40.99 1oj6 s PHE 49 CO 0.19 0.35 1.27 -1.13 -0.10 0.00 0.00 175.22 175.80 1oj6 n SER 50 N 2.47 0.60 -3.55 1.36 3.41 -1.26 -4.85 113.62 111.81 1oj6 n SER 50 Ca -0.18 -0.16 -0.07 0.00 -0.26 0.00 0.00 58.87 58.19 1oj6 n SER 50 Cb 0.53 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 1oj6 n SER 50 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1oj6 s SER 51 N -3.58 -0.27 0.02 4.04 0.15 -1.26 -5.06 113.70 107.74 1oj6 s SER 51 Ca 0.08 0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.74 1oj6 s SER 51 Cb 0.15 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1oj6 s SER 51 CO 0.74 -0.42 1.09 -0.65 1.20 0.00 0.00 173.24 175.20 1oj6 h PRO 52 N 2.09 -0.09 -1.26 5.44 0.11 -1.99 -1.58 132.00 134.72 1oj6 h PRO 52 Ca -0.16 0.01 0.44 0.00 0.11 0.00 0.00 66.00 66.40 1oj6 h PRO 52 Cb 1.20 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 1oj6 h PRO 52 CO 0.28 -0.06 0.78 0.93 -0.21 0.00 0.00 178.00 179.71 1oj6 h GLU 53 N -0.10 0.04 -0.20 1.05 3.07 -2.02 -0.83 114.58 115.60 1oj6 h GLU 53 Ca 0.00 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1oj6 h GLU 53 Cb 0.11 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1oj6 h GLU 53 CO -0.06 0.03 0.15 0.38 -1.40 0.00 0.00 179.01 178.11 1oj6 h ASP 54 N 0.05 0.00 0.53 1.42 -0.00 -1.70 -0.94 116.42 115.78 1oj6 h ASP 54 Ca 0.85 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.80 1oj6 h ASP 54 Cb 2.56 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 41.88 1oj6 h ASP 54 CO -0.53 0.00 -0.39 0.77 -0.00 0.00 0.00 179.24 179.09 1oj6 h SER 55 N 0.00 0.00 0.00 4.15 4.64 -1.18 -2.92 113.55 118.25 1oj6 h SER 55 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1oj6 h SER 55 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1oj6 h SER 55 CO -0.00 0.39 0.00 0.18 -0.87 0.00 0.00 176.83 176.53 1oj6 n LEU 56 N -3.85 0.00 -0.00 5.97 4.77 -0.36 -1.24 117.00 122.29 1oj6 n LEU 56 Ca -0.01 0.11 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1oj6 n LEU 56 Cb 0.45 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1oj6 n LEU 56 CO 0.38 -0.11 -0.51 -1.54 -1.33 0.00 0.00 177.39 174.28 1oj6 n SER 57 N -1.11 3.42 -4.67 -1.43 3.41 -1.10 -4.91 113.62 107.22 1oj6 n SER 57 Ca 0.00 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1oj6 n SER 57 Cb 0.00 1.22 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 1oj6 n SER 57 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1oj6 s SER 58 N -2.50 6.56 0.22 4.04 0.15 -0.37 -4.86 113.70 116.94 1oj6 s SER 58 Ca -0.02 2.49 -0.09 0.00 0.70 0.00 0.00 55.95 59.03 1oj6 s SER 58 Cb 0.03 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.12 1oj6 s SER 58 CO 0.22 -0.96 1.73 -0.65 1.20 0.00 0.00 173.24 174.78 1oj6 h PRO 59 N 9.35 0.35 -0.61 5.44 0.11 -1.93 -1.92 132.00 142.79 1oj6 h PRO 59 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1oj6 h PRO 59 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1oj6 h PRO 59 CO 0.94 0.23 0.14 0.93 -0.21 0.00 0.00 178.00 180.03 1oj6 h GLU 60 N 0.36 0.96 -0.37 1.05 3.07 -1.94 -1.66 114.58 116.05 1oj6 h GLU 60 Ca 0.33 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1oj6 h GLU 60 Cb 0.46 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1oj6 h GLU 60 CO -0.36 0.86 -0.03 0.35 -1.40 0.00 0.00 179.01 178.43 1oj6 h PHE 61 N 0.92 0.75 -0.47 4.33 3.57 -1.64 -1.40 116.94 123.00 1oj6 h PHE 61 Ca 0.20 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1oj6 h PHE 61 Cb 0.34 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1oj6 h PHE 61 CO 0.02 0.79 0.03 -0.07 -2.23 0.00 0.00 178.31 176.85 1oj6 h LEU 62 N 0.49 0.72 -1.28 0.59 3.38 -1.24 -1.90 115.31 116.07 1oj6 h LEU 62 Ca 0.10 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1oj6 h LEU 62 Cb 0.52 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1oj6 h LEU 62 CO 0.03 0.77 -0.24 0.44 0.09 0.00 0.00 178.44 179.53 1oj6 h ASP 63 N 0.71 0.18 -0.08 -0.43 3.32 -1.09 -1.46 116.42 117.56 1oj6 h ASP 63 Ca 0.15 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1oj6 h ASP 63 Cb 0.40 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1oj6 h ASP 63 CO 0.01 0.43 -0.29 -0.74 -1.72 0.00 0.00 179.24 176.93 1oj6 h HIS 64 N 0.17 0.63 -0.62 4.55 2.76 -0.48 0.40 115.15 122.56 1oj6 h HIS 64 Ca 0.03 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.00 1oj6 h HIS 64 Cb 0.52 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1oj6 h HIS 64 CO 0.01 0.79 0.21 0.82 -1.30 0.00 0.00 177.93 178.45 1oj6 h ILE 65 N 0.48 1.24 -0.82 6.26 2.04 -0.85 -0.40 117.51 125.46 1oj6 h ILE 65 Ca 0.06 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1oj6 h ILE 65 Cb 0.75 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1oj6 h ILE 65 CO 0.06 0.31 0.39 0.03 0.00 0.00 0.00 178.15 178.94 1oj6 h ARG 66 N 0.88 1.19 -0.52 2.37 3.08 -0.82 -1.56 114.38 119.00 1oj6 h ARG 66 Ca 0.20 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1oj6 h ARG 66 Cb 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1oj6 h ARG 66 CO -0.01 0.92 0.23 0.87 -1.07 0.00 0.00 179.97 180.91 1oj6 h LYS 67 N 1.17 0.76 -0.31 0.04 1.57 -0.38 -0.00 116.57 119.41 1oj6 h LYS 67 Ca 0.28 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1oj6 h LYS 67 Cb 0.12 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1oj6 h LYS 67 CO -0.03 0.65 0.06 0.28 -0.57 0.00 0.00 179.45 179.83 1oj6 h VAL 68 N 0.69 0.85 -0.10 0.50 2.07 -0.76 -0.91 116.25 118.60 1oj6 h VAL 68 Ca 0.18 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1oj6 h VAL 68 Cb 0.15 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1oj6 h VAL 68 CO -0.02 0.03 -0.22 0.24 0.02 0.00 0.00 177.57 177.63 1oj6 h MET 69 N 0.17 0.17 -0.11 1.57 2.86 -0.96 -1.85 114.93 116.79 1oj6 h MET 69 Ca 0.14 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1oj6 h MET 69 Cb 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1oj6 h MET 69 CO -0.19 0.39 -0.44 -0.07 1.06 0.00 0.00 176.91 177.66 1oj6 h LEU 70 N 0.16 0.28 -0.20 1.22 3.38 0.07 -0.18 115.31 120.04 1oj6 h LEU 70 Ca 0.03 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 1oj6 h LEU 70 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1oj6 h LEU 70 CO 0.03 0.69 -0.56 0.58 0.09 0.00 0.00 178.44 179.27 1oj6 h VAL 71 N 0.21 1.31 -0.27 1.22 2.07 -0.67 -2.24 116.25 117.89 1oj6 h VAL 71 Ca 0.02 -1.78 -0.08 0.00 0.82 0.00 0.00 66.70 65.67 1oj6 h VAL 71 Cb 0.87 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1oj6 h VAL 71 CO 0.07 0.56 -0.19 0.40 0.02 0.00 0.00 177.57 178.43 1oj6 h ILE 72 N 0.43 1.25 -0.77 4.57 2.04 -1.23 -1.29 117.51 122.52 1oj6 h ILE 72 Ca -0.01 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1oj6 h ILE 72 Cb 1.18 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1oj6 h ILE 72 CO 0.12 0.36 0.43 0.44 0.00 0.00 0.00 178.15 179.50 1oj6 h ASP 73 N 0.43 0.95 0.11 1.72 3.32 -0.89 0.16 116.42 122.22 1oj6 h ASP 73 Ca 0.07 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1oj6 h ASP 73 Cb 0.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1oj6 h ASP 73 CO 0.04 0.76 -0.53 0.00 -1.72 0.00 0.00 179.24 177.79 1oj6 h ALA 74 N 1.40 0.79 -0.30 3.45 0.00 -0.83 -1.43 119.26 122.34 1oj6 h ALA 74 Ca 0.27 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1oj6 h ALA 74 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1oj6 h ALA 74 CO -0.05 0.68 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1oj6 h ALA 75 N 1.07 0.39 -0.61 0.00 0.00 -0.51 -1.73 119.26 117.88 1oj6 h ALA 75 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oj6 h ALA 75 Cb 1.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1oj6 h ALA 75 CO 0.09 0.09 0.38 0.28 0.00 0.00 0.00 179.25 180.09 1oj6 h VAL 76 N 0.31 1.17 -0.17 0.00 2.07 -0.90 -0.18 116.25 118.55 1oj6 h VAL 76 Ca 0.09 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1oj6 h VAL 76 Cb 0.35 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1oj6 h VAL 76 CO 0.01 0.17 -0.10 0.74 0.02 0.00 0.00 177.57 178.41 1oj6 h THR 77 N 0.82 1.17 -0.50 2.57 2.02 -1.12 -2.54 112.91 115.33 1oj6 h THR 77 Ca 0.22 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1oj6 h THR 77 Cb -0.04 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1oj6 h THR 77 CO -0.04 0.23 0.08 0.59 0.37 0.00 0.00 175.52 176.75 1oj6 n ASN 78 N -4.29 4.48 -0.23 4.18 4.13 -0.66 -4.71 115.26 118.16 1oj6 n ASN 78 Ca -0.00 -3.15 0.27 0.00 1.68 0.00 0.00 54.58 53.38 1oj6 n ASN 78 Cb 0.25 -0.65 0.66 0.00 -1.54 0.00 0.00 39.78 38.50 1oj6 n ASN 78 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1oj6 h VAL 79 N 2.49 0.55 -0.00 2.41 3.04 -0.60 0.24 116.25 124.39 1oj6 h VAL 79 Ca 0.11 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1oj6 h VAL 79 Cb 1.88 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1oj6 h VAL 79 CO 0.47 0.02 -0.09 -0.62 -1.01 0.00 0.00 177.57 176.34 1oj6 n GLU 80 N -4.35 0.18 -2.83 4.17 1.02 -1.26 -4.02 120.64 113.55 1oj6 n GLU 80 Ca 0.20 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 1oj6 n GLU 80 Cb 0.93 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.88 1oj6 n GLU 80 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1oj6 n ASP 81 N -1.38 -2.39 0.30 1.62 2.03 0.81 -5.00 116.55 112.54 1oj6 n ASP 81 Ca 0.09 -3.20 0.18 0.00 0.52 0.00 0.00 54.79 52.39 1oj6 n ASP 81 Cb 0.31 1.41 0.97 0.00 -0.72 0.00 0.00 41.12 43.10 1oj6 n ASP 81 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1oj6 h LEU 82 N 4.02 0.00 -2.19 -2.67 3.38 -1.63 -1.79 115.31 114.43 1oj6 h LEU 82 Ca -0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1oj6 h LEU 82 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1oj6 h LEU 82 CO 0.35 0.03 0.08 0.77 0.09 0.00 0.00 178.44 179.76 1oj6 h SER 83 N 0.00 0.00 0.16 -0.43 4.64 -1.94 -0.65 113.55 115.32 1oj6 h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oj6 h SER 83 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1oj6 h SER 83 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1oj6 n SER 84 N -4.16 0.04 -0.26 4.97 3.41 -0.67 -1.66 113.62 115.29 1oj6 n SER 84 Ca -0.01 0.52 0.03 0.00 -0.26 0.00 0.00 58.87 59.15 1oj6 n SER 84 Cb 0.19 -0.52 0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1oj6 n SER 84 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1oj6 n LEU 85 N -1.55 1.83 -0.25 1.04 4.77 -0.25 -4.79 117.00 117.80 1oj6 n LEU 85 Ca 0.01 -1.36 0.04 0.00 -0.03 0.00 0.00 56.01 54.66 1oj6 n LEU 85 Cb 0.05 -0.04 0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1oj6 n LEU 85 CO 0.05 0.42 1.03 1.05 -1.33 0.00 0.00 177.39 178.60 1oj6 h GLU 86 N 1.07 0.47 -0.38 3.23 4.11 -1.34 -0.70 114.58 121.03 1oj6 h GLU 86 Ca 0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 1oj6 h GLU 86 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1oj6 h GLU 86 CO 0.00 0.31 -0.06 0.93 0.07 0.00 0.00 179.01 180.26 1oj6 h GLU 87 N 0.48 0.72 -0.08 1.06 5.08 -1.87 -1.71 114.58 118.25 1oj6 h GLU 87 Ca 0.39 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1oj6 h GLU 87 Cb 0.54 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1oj6 h GLU 87 CO -0.36 0.85 0.04 -0.92 -1.00 0.00 0.00 179.01 177.61 1oj6 h TYR 88 N 0.52 0.12 -0.58 4.33 3.20 -1.79 -2.14 116.97 120.63 1oj6 h TYR 88 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1oj6 h TYR 88 Cb 0.56 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1oj6 h TYR 88 CO 0.05 0.22 0.29 -0.07 -1.64 0.00 0.00 178.16 177.01 1oj6 h LEU 89 N -0.01 0.73 -0.28 2.82 3.38 -1.09 -0.16 115.31 120.70 1oj6 h LEU 89 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1oj6 h LEU 89 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1oj6 h LEU 89 CO -0.00 0.62 0.16 0.00 0.09 0.00 0.00 178.44 179.30 1oj6 h ALA 90 N 1.50 0.36 -0.55 1.53 0.00 -1.15 0.10 119.26 121.04 1oj6 h ALA 90 Ca 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1oj6 h ALA 90 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1oj6 h ALA 90 CO -0.03 -0.13 0.31 0.66 0.00 0.00 0.00 179.25 180.06 1oj6 h SER 91 N 0.34 0.66 -0.71 0.00 4.64 -0.64 -0.72 113.55 117.12 1oj6 h SER 91 Ca 0.10 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1oj6 h SER 91 Cb 0.04 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1oj6 h SER 91 CO -0.02 0.53 0.26 0.25 -0.87 0.00 0.00 176.83 176.98 1oj6 h LEU 92 N 0.76 1.00 -0.46 5.97 5.85 -0.33 -1.36 115.31 126.74 1oj6 h LEU 92 Ca 0.20 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1oj6 h LEU 92 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1oj6 h LEU 92 CO -0.03 0.91 0.17 1.23 -0.34 0.00 0.00 178.44 180.37 1oj6 h GLY 93 N 1.10 0.75 0.85 3.75 0.00 0.38 -2.37 103.07 107.54 1oj6 h GLY 93 Ca 0.24 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1oj6 h GLY 93 CO -0.02 0.40 0.55 -0.09 0.00 0.00 0.00 176.54 177.38 1oj6 h ARG 94 N 0.60 1.02 -0.19 4.80 2.43 -0.78 0.45 114.38 122.70 1oj6 h ARG 94 Ca 0.15 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1oj6 h ARG 94 Cb 0.22 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1oj6 h ARG 94 CO -0.01 0.68 -0.14 0.87 -1.51 0.00 0.00 179.97 179.85 1oj6 h LYS 95 N 1.05 0.32 0.10 0.20 1.57 -0.97 -1.16 116.57 117.68 1oj6 h LYS 95 Ca 0.34 -0.08 -0.27 0.00 -1.87 0.00 0.00 60.65 58.77 1oj6 h LYS 95 Cb 0.03 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.31 1oj6 h LYS 95 CO -0.12 0.46 -1.18 0.45 -0.57 0.00 0.00 179.45 178.49 1oj6 h HIS 96 N 0.30 0.61 -0.32 -1.35 3.86 -0.83 -2.92 115.15 114.50 1oj6 h HIS 96 Ca 0.06 -0.41 -0.05 0.00 -1.16 0.00 0.00 60.37 58.81 1oj6 h HIS 96 Cb 0.43 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1oj6 h HIS 96 CO 0.01 1.28 -0.03 -0.09 0.86 0.00 0.00 177.93 179.97 1oj6 h ARG 97 N 0.14 0.50 0.00 2.45 2.43 -0.64 -1.19 114.38 118.07 1oj6 h ARG 97 Ca -0.13 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.85 1oj6 h ARG 97 Cb 1.87 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.34 1oj6 h ARG 97 CO 0.20 0.55 -0.36 0.00 -1.51 0.00 0.00 179.97 178.86 1oj6 h ALA 98 N 1.50 1.28 -0.49 2.80 0.00 -1.13 -2.25 119.26 120.98 1oj6 h ALA 98 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1oj6 h ALA 98 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1oj6 h ALA 98 CO 0.01 0.45 0.00 1.33 0.00 0.00 0.00 179.25 181.04 1oj6 n VAL 99 N -3.93 0.91 -0.49 0.00 0.24 -0.97 -4.93 118.33 109.16 1oj6 n VAL 99 Ca -0.02 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1oj6 n VAL 99 Cb 0.42 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1oj6 n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oj6 n GLY 100 N 1.14 0.75 3.73 7.63 0.00 -0.84 -4.96 105.19 112.64 1oj6 n GLY 100 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1oj6 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oj6 s VAL 101 N -2.11 4.04 0.23 1.61 1.01 -0.49 -5.01 120.40 119.68 1oj6 s VAL 101 Ca 0.00 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.45 1oj6 s VAL 101 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1oj6 s VAL 101 CO 0.00 0.26 0.78 -0.54 0.00 0.00 0.00 175.10 175.60 1oj6 s LYS 102 N -0.06 4.39 0.43 2.72 1.02 -1.26 -4.32 119.74 122.66 1oj6 s LYS 102 Ca 0.50 1.03 0.11 0.00 0.02 0.00 0.00 55.97 57.63 1oj6 s LYS 102 Cb -0.28 -2.94 0.95 0.00 -0.52 0.00 0.00 37.83 35.05 1oj6 s LYS 102 CO 0.33 0.40 2.03 1.25 -0.92 0.00 0.00 175.35 178.44 1oj6 h LEU 103 N 3.54 0.22 -2.17 3.17 5.85 -1.98 -1.05 115.31 122.90 1oj6 h LEU 103 Ca -0.47 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1oj6 h LEU 103 Cb 1.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1oj6 h LEU 103 CO 0.65 0.25 0.11 0.77 -0.34 0.00 0.00 178.44 179.89 1oj6 h SER 104 N 0.25 0.00 0.92 1.25 4.64 -2.03 -1.92 113.55 116.65 1oj6 h SER 104 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1oj6 h SER 104 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1oj6 h SER 104 CO 0.00 0.00 -0.01 0.28 -0.87 0.00 0.00 176.83 176.23 1oj6 h SER 105 N 0.00 0.00 0.79 4.97 0.02 -1.58 -2.61 113.55 115.14 1oj6 h SER 105 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1oj6 h SER 105 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1oj6 h SER 105 CO -0.00 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.19 1oj6 n PHE 106 N -3.11 0.00 0.11 3.45 3.01 -0.72 -1.53 117.46 118.66 1oj6 n PHE 106 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1oj6 n PHE 106 Cb 0.29 -0.42 -0.15 0.00 -0.01 0.00 0.00 39.48 39.19 1oj6 n PHE 106 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1oj6 h SER 107 N 0.00 0.56 -0.14 4.37 0.87 -1.62 -2.73 113.55 114.87 1oj6 h SER 107 Ca 0.00 -0.65 -0.12 0.00 -1.23 0.00 0.00 61.79 59.79 1oj6 h SER 107 Cb 0.39 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1oj6 h SER 107 CO 0.00 1.51 -0.32 0.74 -0.53 0.00 0.00 176.83 178.23 1oj6 h THR 108 N 0.10 1.28 -0.54 2.23 2.02 -1.53 -1.97 112.91 114.51 1oj6 h THR 108 Ca -0.21 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.54 1oj6 h THR 108 Cb 2.05 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 1oj6 h THR 108 CO 0.22 0.47 0.34 0.58 0.37 0.00 0.00 175.52 177.49 1oj6 h VAL 109 N 0.54 1.09 -0.56 3.16 2.07 -1.30 -0.15 116.25 121.10 1oj6 h VAL 109 Ca 0.06 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1oj6 h VAL 109 Cb 0.82 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1oj6 h VAL 109 CO 0.07 0.12 0.32 1.23 0.02 0.00 0.00 177.57 179.33 1oj6 h GLY 110 N 0.67 0.80 1.40 2.17 0.00 -1.12 0.74 103.07 107.74 1oj6 h GLY 110 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1oj6 h GLY 110 CO -0.07 0.17 0.25 0.83 0.00 0.00 0.00 176.54 177.71 1oj6 h GLU 111 N 0.62 0.77 -0.01 4.80 5.08 -0.74 -2.14 114.58 122.96 1oj6 h GLU 111 Ca 0.24 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 1oj6 h GLU 111 Cb 0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1oj6 h GLU 111 CO -0.13 0.62 -0.76 0.77 -1.00 0.00 0.00 179.01 178.50 1oj6 h SER 112 N 0.77 0.10 -0.23 1.42 0.02 0.00 -2.53 113.55 113.10 1oj6 h SER 112 Ca 0.19 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1oj6 h SER 112 Cb 0.11 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1oj6 h SER 112 CO -0.02 0.83 -0.34 0.25 -1.14 0.00 0.00 176.83 176.40 1oj6 h LEU 113 N 0.05 0.70 -0.54 5.07 5.85 -0.49 -1.54 115.31 124.42 1oj6 h LEU 113 Ca -0.02 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1oj6 h LEU 113 Cb 1.35 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1oj6 h LEU 113 CO 0.11 1.08 0.24 -0.07 -0.34 0.00 0.00 178.44 179.46 1oj6 h LEU 114 N 0.35 0.72 -0.75 2.25 3.38 -1.41 -0.99 115.31 118.86 1oj6 h LEU 114 Ca 0.02 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1oj6 h LEU 114 Cb 0.93 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1oj6 h LEU 114 CO 0.08 0.66 0.47 0.22 0.09 0.00 0.00 178.44 179.96 1oj6 h TYR 115 N 0.73 0.87 -0.38 1.13 3.20 -1.39 0.66 116.97 121.78 1oj6 h TYR 115 Ca 0.18 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 1oj6 h TYR 115 Cb 0.15 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1oj6 h TYR 115 CO -0.00 0.47 -0.27 1.98 -1.64 0.00 0.00 178.16 178.71 1oj6 h MET 116 N 0.89 0.79 -0.52 1.82 4.05 -0.79 -0.39 114.93 120.77 1oj6 h MET 116 Ca 0.31 -0.34 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 1oj6 h MET 116 Cb 0.08 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1oj6 h MET 116 CO -0.14 0.96 0.01 -0.07 0.23 0.00 0.00 176.91 177.91 1oj6 h LEU 117 N 0.68 0.89 -0.48 3.39 3.38 -0.85 -1.77 115.31 120.55 1oj6 h LEU 117 Ca 0.08 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1oj6 h LEU 117 Cb 0.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1oj6 h LEU 117 CO 0.07 0.98 0.00 -0.08 0.09 0.00 0.00 178.44 179.49 1oj6 h GLU 118 N 0.79 0.85 -0.46 1.13 4.57 -0.64 0.15 114.58 120.97 1oj6 h GLU 118 Ca 0.15 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1oj6 h GLU 118 Cb 0.51 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1oj6 h GLU 118 CO 0.02 0.90 0.25 0.87 -1.18 0.00 0.00 179.01 179.87 1oj6 h LYS 119 N 0.71 0.62 0.09 1.92 1.57 -0.96 0.03 116.57 120.57 1oj6 h LYS 119 Ca 0.14 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 58.56 1oj6 h LYS 119 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1oj6 h LYS 119 CO 0.02 0.46 -1.56 1.03 -0.57 0.00 0.00 179.45 178.84 1oj6 h SER 120 N 0.63 0.31 0.00 0.86 0.87 -0.85 -3.40 113.55 111.97 1oj6 h SER 120 Ca 0.16 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.17 1oj6 h SER 120 Cb 0.02 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1oj6 h SER 120 CO -0.03 1.39 -2.04 0.18 -0.53 0.00 0.00 176.83 175.80 1oj6 n LEU 121 N -3.39 0.00 0.00 2.23 4.77 0.47 -5.04 117.00 116.04 1oj6 n LEU 121 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1oj6 n LEU 121 Cb 1.04 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 1oj6 n LEU 121 CO 0.49 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1oj6 n GLY 122 N 1.46 2.65 0.34 -0.72 0.00 -0.01 -2.14 105.19 106.76 1oj6 n GLY 122 Ca -0.11 -0.43 0.17 0.00 0.00 0.00 0.00 46.02 45.65 1oj6 n GLY 122 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1oj6 h PRO 123 N 0.00 0.00 0.00 1.61 0.11 -1.98 0.81 132.00 132.55 1oj6 h PRO 123 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1oj6 h PRO 123 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1oj6 h PRO 123 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1oj6 n ALA 124 N -1.99 1.46 -2.01 -0.75 0.00 -0.91 -3.59 120.51 112.72 1oj6 n ALA 124 Ca -0.01 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1oj6 n ALA 124 Cb 0.36 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 1oj6 n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oj6 n PHE 125 N -2.24 2.94 -0.86 0.00 7.35 0.28 -4.92 117.46 120.01 1oj6 n PHE 125 Ca 0.01 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 1oj6 n PHE 125 Cb 0.17 -2.13 0.18 0.00 0.35 0.00 0.00 39.48 38.05 1oj6 n PHE 125 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1oj6 s THR 126 N 0.93 2.30 0.31 -2.13 -4.23 -1.24 -4.63 115.64 106.96 1oj6 s THR 126 Ca 0.48 0.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1oj6 s THR 126 Cb 0.13 -2.32 0.30 0.00 1.34 0.00 0.00 72.50 71.95 1oj6 s THR 126 CO -0.04 -0.13 1.83 -0.65 -0.54 0.00 0.00 174.62 175.09 1oj6 h PRO 127 N -1.98 0.82 -0.55 3.99 0.11 -1.93 -0.21 132.00 132.25 1oj6 h PRO 127 Ca -0.52 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.45 1oj6 h PRO 127 Cb 1.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1oj6 h PRO 127 CO 0.50 0.54 -0.02 0.00 -0.21 0.00 0.00 178.00 178.81 1oj6 h ALA 128 N 1.58 0.92 -0.38 -0.75 0.00 -1.99 -0.35 119.26 118.30 1oj6 h ALA 128 Ca 0.50 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1oj6 h ALA 128 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1oj6 h ALA 128 CO -0.27 0.64 -0.02 1.15 0.00 0.00 0.00 179.25 180.75 1oj6 h THR 129 N 0.88 1.26 -0.62 0.00 2.02 -1.59 -0.59 112.91 114.27 1oj6 h THR 129 Ca 0.16 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1oj6 h THR 129 Cb 0.54 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1oj6 h THR 129 CO 0.03 0.35 0.14 -0.09 0.37 0.00 0.00 175.52 176.32 1oj6 h ARG 130 N 0.50 1.01 -0.81 6.66 2.43 -0.95 -1.35 114.38 121.87 1oj6 h ARG 130 Ca 0.10 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1oj6 h ARG 130 Cb 0.50 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1oj6 h ARG 130 CO 0.02 0.92 0.43 0.00 -1.51 0.00 0.00 179.97 179.83 1oj6 h ALA 131 N 1.04 1.04 -0.45 2.80 0.00 -0.93 -0.07 119.26 122.69 1oj6 h ALA 131 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1oj6 h ALA 131 Cb 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1oj6 h ALA 131 CO 0.00 0.56 0.21 0.00 0.00 0.00 0.00 179.25 180.03 1oj6 h ALA 132 N 1.22 0.59 -0.12 0.00 0.00 -0.72 -1.81 119.26 118.41 1oj6 h ALA 132 Ca 0.28 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1oj6 h ALA 132 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1oj6 h ALA 132 CO -0.04 0.16 -0.63 -1.49 0.00 0.00 0.00 179.25 177.25 1oj6 h TRP 133 N 0.59 0.56 -0.63 0.00 4.06 -1.02 -0.58 115.95 118.93 1oj6 h TRP 133 Ca 0.15 -0.22 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 1oj6 h TRP 133 Cb 0.14 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1oj6 h TRP 133 CO -0.01 0.94 0.30 0.77 -3.56 0.00 0.00 178.44 176.89 1oj6 h SER 134 N 0.32 0.79 -0.11 -3.49 0.02 -0.88 0.38 113.55 110.59 1oj6 h SER 134 Ca -0.01 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1oj6 h SER 134 Cb 1.17 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1oj6 h SER 134 CO 0.11 0.67 -0.36 1.56 -1.14 0.00 0.00 176.83 177.67 1oj6 h GLN 135 N 0.88 0.43 0.06 3.45 4.20 -0.98 -0.93 115.11 122.21 1oj6 h GLN 135 Ca 0.22 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1oj6 h GLN 135 Cb 0.08 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1oj6 h GLN 135 CO -0.03 0.94 -0.11 1.25 -0.67 0.00 0.00 178.83 180.22 1oj6 h LEU 136 N -0.00 -0.29 -1.26 1.46 5.85 -0.91 -1.51 115.31 118.65 1oj6 h LEU 136 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1oj6 h LEU 136 Cb 0.98 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1oj6 h LEU 136 CO 0.08 -0.16 0.27 0.22 -0.34 0.00 0.00 178.44 178.51 1oj6 h TYR 137 N -0.21 0.77 -0.79 1.25 3.20 -0.97 -1.49 116.97 118.73 1oj6 h TYR 137 Ca 0.02 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1oj6 h TYR 137 Cb 0.23 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 1oj6 h TYR 137 CO -0.14 0.57 0.43 0.78 -1.64 0.00 0.00 178.16 178.16 1oj6 h GLY 138 N 0.88 1.19 1.11 1.82 0.00 -0.77 0.33 103.07 107.63 1oj6 h GLY 138 Ca 0.20 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1oj6 h GLY 138 CO -0.03 0.52 -0.28 0.00 0.00 0.00 0.00 176.54 176.75 1oj6 h ALA 139 N 1.23 0.63 -0.05 3.60 0.00 -0.71 -1.43 119.26 122.52 1oj6 h ALA 139 Ca 0.28 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oj6 h ALA 139 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1oj6 h ALA 139 CO -0.04 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.17 1oj6 h VAL 140 N 0.81 1.12 -0.31 0.00 2.07 -0.79 -2.61 116.25 116.54 1oj6 h VAL 140 Ca 0.09 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1oj6 h VAL 140 Cb 0.87 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1oj6 h VAL 140 CO 0.08 0.10 -0.18 0.58 0.02 0.00 0.00 177.57 178.17 1oj6 h VAL 141 N -0.07 1.25 -0.76 2.57 2.07 -0.93 -1.02 116.25 119.36 1oj6 h VAL 141 Ca 0.02 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.38 1oj6 h VAL 141 Cb 0.14 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1oj6 h VAL 141 CO -0.00 0.38 0.49 -0.61 0.02 0.00 0.00 177.57 177.86 1oj6 h GLN 142 N 0.51 0.96 -0.15 1.57 4.15 -1.16 0.16 115.11 121.15 1oj6 h GLN 142 Ca 0.08 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1oj6 h GLN 142 Cb 0.60 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1oj6 h GLN 142 CO 0.04 0.64 -0.11 0.00 -1.93 0.00 0.00 178.83 177.46 1oj6 h ALA 143 N 1.30 0.22 -0.97 3.38 0.00 -1.14 -3.10 119.26 118.95 1oj6 h ALA 143 Ca 0.29 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1oj6 h ALA 143 Cb -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1oj6 h ALA 143 CO -0.08 0.07 0.62 0.52 0.00 0.00 0.00 179.25 180.38 1oj6 h MET 144 N -0.01 1.10 -0.02 0.00 2.86 -0.97 -2.52 114.93 115.38 1oj6 h MET 144 Ca 0.03 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1oj6 h MET 144 Cb 0.62 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1oj6 h MET 144 CO 0.03 0.73 0.35 0.66 1.06 0.00 0.00 176.91 179.74 1oj6 h SER 145 N 1.13 0.00 1.09 1.22 4.64 -0.60 0.26 113.55 121.29 1oj6 h SER 145 Ca 0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1oj6 h SER 145 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1oj6 h SER 145 CO -0.17 0.00 -0.03 0.03 -0.87 0.00 0.00 176.83 175.78 1oj6 h ARG 146 N 0.00 0.00 0.00 4.77 3.08 -1.56 -2.45 114.38 118.22 1oj6 h ARG 146 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1oj6 h ARG 146 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1oj6 h ARG 146 CO -0.00 0.03 -0.04 0.78 -1.07 0.00 0.00 179.97 179.68 1oj6 h GLY 147 N 2.22 0.00 -4.66 0.04 0.00 -0.51 -3.08 103.07 97.08 1oj6 h GLY 147 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1oj6 h GLY 147 CO 0.00 0.00 0.58 0.79 0.00 0.00 0.00 176.54 177.91 1oj6 n TRP 148 N -3.16 1.77 -3.25 5.60 8.01 -0.92 -3.63 117.44 121.85 1oj6 n TRP 148 Ca 0.00 -2.03 -0.23 0.00 -1.31 0.00 0.00 57.50 53.93 1oj6 n TRP 148 Cb 0.31 -1.40 -0.08 0.00 -2.01 0.00 0.00 31.31 28.13 1oj6 n TRP 148 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1oj6 n ASP 149 N 0.82 -0.70 0.00 -0.99 8.00 -1.17 -4.94 116.55 117.57 1oj6 n ASP 149 Ca 0.50 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1oj6 n ASP 149 Cb 0.51 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1oj6 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oj6 n GLY 150 N 2.44 0.70 0.00 0.44 0.00 -1.26 -5.14 105.19 102.36 1oj6 n GLY 150 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1oj6 n GLY 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48