#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mlj s VAL 1 N 0.00 1.02 0.39 3.17 1.01 -1.26 -5.08 120.40 119.65 1mlj s VAL 1 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1mlj s VAL 1 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 36.38 35.25 1mlj s VAL 1 CO 0.00 0.36 0.86 -0.76 0.00 0.00 0.00 175.10 175.57 1mlj s LEU 2 N 1.58 3.98 0.92 3.92 1.02 -1.26 -5.07 118.68 123.78 1mlj s LEU 2 Ca 0.02 1.52 -0.15 0.00 0.02 0.00 0.00 54.13 55.55 1mlj s LEU 2 Cb -0.13 -4.35 0.16 0.00 0.02 0.00 0.00 46.19 41.89 1mlj s LEU 2 CO -0.07 -0.30 1.25 -0.94 0.02 0.00 0.00 176.35 176.31 1mlj s SER 3 N -2.23 3.49 0.21 2.29 1.04 -1.26 -4.88 113.70 112.35 1mlj s SER 3 Ca 0.59 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 57.48 1mlj s SER 3 Cb -0.09 -0.77 0.16 0.00 0.10 0.00 0.00 66.02 65.42 1mlj s SER 3 CO 0.15 -2.52 1.65 -0.08 0.98 0.00 0.00 173.24 173.41 1mlj h GLU 4 N -1.49 0.88 -0.90 4.02 4.57 -1.99 -1.88 114.58 117.78 1mlj h GLU 4 Ca -0.45 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 57.42 1mlj h GLU 4 Cb 1.28 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1mlj h GLU 4 CO 0.49 0.95 0.59 0.78 -1.18 0.00 0.00 179.01 180.65 1mlj h GLY 5 N 0.96 1.28 0.90 1.92 0.00 -1.99 -0.54 103.07 105.60 1mlj h GLY 5 Ca 0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1mlj h GLY 5 CO 0.05 0.48 -0.05 0.83 0.00 0.00 0.00 176.54 177.85 1mlj h GLU 6 N 1.23 0.60 -0.79 4.80 5.08 -1.84 -2.13 114.58 121.53 1mlj h GLU 6 Ca 0.33 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1mlj h GLU 6 Cb -0.12 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1mlj h GLU 6 CO -0.07 0.76 0.43 -1.49 -1.00 0.00 0.00 179.01 177.64 1mlj h TRP 7 N 0.38 1.09 -0.80 4.33 4.06 -1.10 -1.43 115.95 122.47 1mlj h TRP 7 Ca 0.08 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 1mlj h TRP 7 Cb 0.52 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 28.30 1mlj h TRP 7 CO 0.05 0.76 0.39 1.96 -3.56 0.00 0.00 178.44 178.03 1mlj h GLN 8 N 1.11 1.15 -0.33 0.49 4.20 -0.85 0.19 115.11 121.07 1mlj h GLN 8 Ca 0.28 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1mlj h GLN 8 Cb 0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1mlj h GLN 8 CO -0.04 0.89 0.04 -0.07 -0.67 0.00 0.00 178.83 178.97 1mlj h LEU 9 N 1.13 0.45 -0.07 1.46 3.38 -0.66 -0.58 115.31 120.43 1mlj h LEU 9 Ca 0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1mlj h LEU 9 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mlj h LEU 9 CO -0.04 0.49 -0.15 0.58 0.09 0.00 0.00 178.44 179.42 1mlj h VAL 10 N 0.48 1.42 0.00 1.22 2.07 -0.61 -2.81 116.25 118.01 1mlj h VAL 10 Ca 0.11 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1mlj h VAL 10 Cb 0.25 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1mlj h VAL 10 CO 0.00 0.41 0.00 0.18 0.02 0.00 0.00 177.57 178.18 1mlj n LEU 11 N -4.61 0.66 -0.02 2.57 4.77 0.62 -1.79 117.00 119.20 1mlj n LEU 11 Ca -0.08 0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 56.34 1mlj n LEU 11 Cb 0.38 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1mlj n LEU 11 CO 0.38 -0.29 0.33 -0.74 -1.33 0.00 0.00 177.39 175.73 1mlj h HIS 12 N 0.00 0.25 0.00 -1.77 2.76 -0.99 -2.28 115.15 113.12 1mlj h HIS 12 Ca 0.00 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 57.93 1mlj h HIS 12 Cb 0.57 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1mlj h HIS 12 CO 0.00 1.02 -0.40 -0.24 -1.30 0.00 0.00 177.93 177.02 1mlj h VAL 13 N -0.59 1.13 0.00 5.26 3.04 -1.33 -2.72 116.25 121.04 1mlj h VAL 13 Ca -0.04 -1.44 -0.05 0.00 -1.01 0.00 0.00 66.70 64.16 1mlj h VAL 13 Cb 1.13 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 1mlj h VAL 13 CO 0.06 0.39 -0.24 -0.25 -1.01 0.00 0.00 177.57 176.51 1mlj h TRP 14 N 0.00 0.00 0.00 3.17 2.91 -1.21 -0.76 115.95 120.05 1mlj h TRP 14 Ca -0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1mlj h TRP 14 Cb 0.78 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1mlj h TRP 14 CO 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 178.44 177.65 1mlj h ALA 15 N 1.76 1.00 0.10 2.65 0.00 -1.07 -1.22 119.26 122.47 1mlj h ALA 15 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1mlj h ALA 15 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1mlj h ALA 15 CO 0.03 0.00 -1.39 0.87 0.00 0.00 0.00 179.25 178.77 1mlj h LYS 16 N 0.00 0.21 -0.99 0.00 1.79 -1.22 -3.19 116.57 113.18 1mlj h LYS 16 Ca 0.00 -0.36 0.11 0.00 -2.18 0.00 0.00 60.65 58.21 1mlj h LYS 16 Cb 0.42 0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.13 1mlj h LYS 16 CO 0.00 1.17 0.63 0.28 -1.08 0.00 0.00 179.45 180.45 1mlj h VAL 17 N -0.37 0.96 0.00 0.50 2.07 -1.01 -2.29 116.25 116.11 1mlj h VAL 17 Ca -0.31 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1mlj h VAL 17 Cb 1.71 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1mlj h VAL 17 CO 0.03 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 1mlj n GLU 18 N -4.58 0.31 0.11 1.57 1.02 -0.50 -1.36 120.64 117.22 1mlj n GLU 18 Ca 0.18 0.09 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 1mlj n GLU 18 Cb 0.32 -1.50 0.42 0.00 -0.02 0.00 0.00 31.44 30.66 1mlj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mlj n ALA 19 N -1.18 2.16 -3.03 0.62 0.00 -0.86 -4.09 120.51 114.13 1mlj n ALA 19 Ca 0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1mlj n ALA 19 Cb 0.09 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1mlj n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mlj n ASP 20 N -2.26 -0.71 -0.11 0.00 2.03 -0.46 -5.01 116.55 110.03 1mlj n ASP 20 Ca 0.05 -3.03 -0.06 0.00 0.52 0.00 0.00 54.79 52.26 1mlj n ASP 20 Cb 0.39 0.26 0.02 0.00 -0.72 0.00 0.00 41.12 41.07 1mlj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mlj h VAL 21 N 2.13 0.92 -0.48 5.18 2.07 -1.70 -2.11 116.25 122.26 1mlj h VAL 21 Ca 0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1mlj h VAL 21 Cb 0.96 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1mlj h VAL 21 CO 0.40 0.06 0.23 0.00 0.02 0.00 0.00 177.57 178.28 1mlj h ALA 22 N 1.22 0.62 -0.15 1.67 0.00 -1.91 -0.27 119.26 120.45 1mlj h ALA 22 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mlj h ALA 22 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1mlj h ALA 22 CO -0.15 0.18 -0.05 0.78 0.00 0.00 0.00 179.25 180.01 1mlj h GLY 23 N 0.63 0.09 0.88 0.00 0.00 -1.90 -1.94 103.07 100.83 1mlj h GLY 23 Ca 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1mlj h GLY 23 CO -0.02 -0.07 0.05 0.45 0.00 0.00 0.00 176.54 176.95 1mlj h HIS 24 N -0.02 0.49 -0.28 5.60 3.86 -1.31 -1.54 115.15 121.96 1mlj h HIS 24 Ca 0.07 -0.07 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1mlj h HIS 24 Cb 0.13 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 1mlj h HIS 24 CO -0.19 0.56 -0.25 0.78 0.86 0.00 0.00 177.93 179.68 1mlj h GLY 25 N 0.29 -0.16 0.62 2.45 0.00 -0.99 -1.47 103.07 103.81 1mlj h GLY 25 Ca 0.09 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.78 1mlj h GLY 25 CO 0.00 -0.20 0.01 -1.61 0.00 0.00 0.00 176.54 174.74 1mlj h GLN 26 N -0.24 0.08 -1.01 4.80 4.15 -1.34 -2.34 115.11 119.22 1mlj h GLN 26 Ca 0.15 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.60 1mlj h GLN 26 Cb 0.47 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1mlj h GLN 26 CO -0.42 0.05 0.66 -0.44 -1.93 0.00 0.00 178.83 176.76 1mlj h ASP 27 N 0.09 1.10 -0.18 -0.69 5.19 -0.99 -1.39 116.42 119.54 1mlj h ASP 27 Ca 0.12 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 1mlj h ASP 27 Cb 0.15 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 1mlj h ASP 27 CO -0.20 0.75 -0.27 0.40 -3.12 0.00 0.00 179.24 176.80 1mlj h ILE 28 N 1.27 1.34 -0.43 0.35 2.04 -1.26 -1.16 117.51 119.66 1mlj h ILE 28 Ca 0.40 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.67 1mlj h ILE 28 Cb 0.01 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1mlj h ILE 28 CO -0.13 0.45 -0.11 -0.07 0.00 0.00 0.00 178.15 178.29 1mlj h LEU 29 N 0.15 0.85 -0.06 1.44 3.38 -1.17 -1.36 115.31 118.54 1mlj h LEU 29 Ca 0.02 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1mlj h LEU 29 Cb 0.85 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1mlj h LEU 29 CO 0.06 1.02 0.02 0.40 0.09 0.00 0.00 178.44 180.04 1mlj h ILE 30 N 0.67 0.98 -0.88 1.22 2.04 -1.26 -1.20 117.51 119.09 1mlj h ILE 30 Ca 0.11 -0.02 0.16 0.00 1.00 0.00 0.00 64.86 66.11 1mlj h ILE 30 Cb 0.65 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 37.56 1mlj h ILE 30 CO 0.04 0.01 0.46 -0.09 0.00 0.00 0.00 178.15 178.57 1mlj h ARG 31 N 0.05 0.60 0.14 2.37 9.65 -0.96 0.30 114.38 126.53 1mlj h ARG 31 Ca 0.03 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1mlj h ARG 31 Cb 0.01 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1mlj h ARG 31 CO -0.03 0.40 -0.07 1.25 2.80 0.00 0.00 179.97 184.32 1mlj h LEU 32 N 0.62 -0.16 -0.95 3.80 5.85 -0.81 0.33 115.31 123.99 1mlj h LEU 32 Ca 0.49 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1mlj h LEU 32 Cb 0.74 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1mlj h LEU 32 CO -0.39 0.06 0.63 -0.26 -0.34 0.00 0.00 178.44 178.14 1mlj h PHE 33 N -0.37 1.21 0.63 1.25 0.04 -0.97 0.18 116.94 118.91 1mlj h PHE 33 Ca -0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1mlj h PHE 33 Cb 0.30 -0.41 0.01 0.00 2.20 0.00 0.00 35.95 38.05 1mlj h PHE 33 CO -0.01 0.76 -0.30 0.87 -0.60 0.00 0.00 178.31 179.03 1mlj h LYS 34 N 1.30 -0.82 -0.55 1.51 1.57 -0.06 -3.12 116.57 116.40 1mlj h LYS 34 Ca 0.35 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.23 1mlj h LYS 34 Cb -0.14 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1mlj h LYS 34 CO -0.07 -0.50 0.30 0.77 -0.57 0.00 0.00 179.45 179.37 1mlj h SER 35 N -1.07 0.44 -3.47 0.86 0.02 -0.83 -3.39 113.55 106.11 1mlj h SER 35 Ca -0.09 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.28 1mlj h SER 35 Cb 0.69 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 62.77 1mlj h SER 35 CO 0.14 0.30 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.40 1mlj s HIS 36 N -6.12 1.98 0.18 3.45 3.76 0.63 -5.00 115.29 114.16 1mlj s HIS 36 Ca -0.13 -2.36 0.32 0.00 -0.15 0.00 0.00 55.06 52.73 1mlj s HIS 36 Cb 0.14 -1.89 1.34 0.00 1.11 0.00 0.00 32.58 33.29 1mlj s HIS 36 CO 0.74 -0.80 1.98 -1.35 -0.85 0.00 0.00 174.74 174.47 1mlj h PRO 37 N 6.89 0.00 0.00 8.40 0.11 -1.72 0.30 132.00 145.97 1mlj h PRO 37 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1mlj h PRO 37 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1mlj h PRO 37 CO 0.48 0.06 -0.24 1.05 -0.21 0.00 0.00 178.00 179.15 1mlj h GLU 38 N 0.00 0.00 -0.17 1.05 9.09 -1.92 -1.89 114.58 120.74 1mlj h GLU 38 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 1mlj h GLU 38 Cb 0.52 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.60 1mlj h GLU 38 CO 0.01 0.24 -0.05 1.79 0.05 0.00 0.00 179.01 181.04 1mlj h THR 39 N 0.00 1.14 -0.07 -1.06 1.35 -1.26 -2.61 112.91 110.40 1mlj h THR 39 Ca -0.00 -0.59 0.02 0.00 -0.55 0.00 0.00 66.41 65.29 1mlj h THR 39 Cb 0.47 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1mlj h THR 39 CO 0.03 0.19 0.05 0.25 -0.25 0.00 0.00 175.52 175.79 1mlj h LEU 40 N 0.25 0.00 -2.01 3.87 5.85 -1.50 -2.31 115.31 119.45 1mlj h LEU 40 Ca 0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1mlj h LEU 40 Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1mlj h LEU 40 CO 0.01 0.00 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.69 1mlj h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.58 -1.25 114.58 118.08 1mlj h GLU 41 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1mlj h GLU 41 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1mlj h GLU 41 CO -0.00 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.73 1mlj n LYS 42 N -3.62 0.17 -3.64 2.33 4.76 -0.87 -4.55 118.16 112.75 1mlj n LYS 42 Ca -0.02 0.39 -0.38 0.00 -2.87 0.00 0.00 58.31 55.43 1mlj n LYS 42 Cb 0.21 -1.82 -0.11 0.00 -1.84 0.00 0.00 35.03 31.47 1mlj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mlj s PHE 43 N -3.27 3.18 -0.58 2.13 0.40 -0.47 -4.89 117.98 114.49 1mlj s PHE 43 Ca 0.05 -0.33 0.25 0.00 -0.60 0.00 0.00 56.93 56.29 1mlj s PHE 43 Cb 0.09 -2.36 0.64 0.00 0.51 0.00 0.00 43.02 41.90 1mlj s PHE 43 CO 0.38 -0.36 1.71 -0.44 0.70 0.00 0.00 175.22 177.22 1mlj h ASP 44 N 8.36 0.00 0.81 1.36 3.32 -1.84 -0.84 116.42 127.59 1mlj h ASP 44 Ca -0.34 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.47 1mlj h ASP 44 Cb 1.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1mlj h ASP 44 CO 0.60 0.00 -1.22 0.03 -1.72 0.00 0.00 179.24 176.93 1mlj h ARG 45 N 0.00 0.04 0.00 3.56 3.08 -1.94 -3.35 114.38 115.78 1mlj h ARG 45 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1mlj h ARG 45 Cb 0.83 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1mlj h ARG 45 CO 0.00 0.92 -1.29 1.19 -1.07 0.00 0.00 179.97 179.72 1mlj n PHE 46 N -3.31 0.00 -0.24 3.04 3.72 -0.69 -4.76 117.46 115.22 1mlj n PHE 46 Ca -0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.47 1mlj n PHE 46 Cb 0.98 -0.21 0.24 0.00 -0.94 0.00 0.00 39.48 39.56 1mlj n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mlj n LYS 47 N -1.75 -0.05 0.01 -1.08 4.81 -0.41 -1.90 118.16 117.79 1mlj n LYS 47 Ca -0.01 1.05 0.06 0.00 -0.87 0.00 0.00 58.31 58.54 1mlj n LYS 47 Cb 0.32 -1.70 0.27 0.00 0.02 0.00 0.00 35.03 33.94 1mlj n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1mlj n HIS 48 N -4.90 0.04 -1.93 5.64 1.44 -1.26 -4.86 115.22 109.38 1mlj n HIS 48 Ca 0.18 0.02 -0.41 0.00 -2.01 0.00 0.00 57.72 55.50 1mlj n HIS 48 Cb 0.61 -0.53 -0.02 0.00 0.12 0.00 0.00 29.99 30.17 1mlj n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mlj s LEU 49 N -3.08 4.37 -0.10 2.39 1.43 -0.80 -4.91 118.68 117.98 1mlj s LEU 49 Ca 0.06 2.79 0.11 0.00 -1.03 0.00 0.00 54.13 56.05 1mlj s LEU 49 Cb 0.08 -3.63 -0.15 0.00 0.03 0.00 0.00 46.19 42.52 1mlj s LEU 49 CO 0.23 -0.76 0.07 0.29 0.23 0.00 0.00 176.35 176.40 1mlj n LYS 50 N 1.96 1.87 -4.38 1.70 5.02 -1.26 -4.99 118.16 118.07 1mlj n LYS 50 Ca 0.06 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 1mlj n LYS 50 Cb 0.39 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 1mlj n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mlj s THR 51 N -2.36 0.80 0.23 -0.18 -4.23 -1.26 -5.02 115.64 103.61 1mlj s THR 51 Ca -0.06 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.65 1mlj s THR 51 Cb 0.04 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.36 1mlj s THR 51 CO 0.48 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.28 1mlj h GLU 52 N 2.23 0.00 -0.31 3.99 4.81 -1.99 -0.81 114.58 122.51 1mlj h GLU 52 Ca -0.39 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.69 1mlj h GLU 52 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1mlj h GLU 52 CO 0.64 0.34 -0.40 0.00 -0.73 0.00 0.00 179.01 178.85 1mlj h ALA 53 N 1.66 0.71 -0.58 2.92 0.00 -1.99 0.14 119.26 122.13 1mlj h ALA 53 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1mlj h ALA 53 Cb 0.79 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1mlj h ALA 53 CO 0.04 0.66 0.10 0.93 0.00 0.00 0.00 179.25 180.99 1mlj h GLU 54 N 0.61 0.93 -0.08 0.00 5.08 -1.60 -1.80 114.58 117.72 1mlj h GLU 54 Ca 0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1mlj h GLU 54 Cb 0.95 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1mlj h GLU 54 CO 0.09 0.86 0.01 0.52 -1.00 0.00 0.00 179.01 179.49 1mlj h MET 55 N 0.88 0.13 -0.83 2.33 2.86 -0.84 -2.20 114.93 117.26 1mlj h MET 55 Ca 0.18 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.87 1mlj h MET 55 Cb 0.38 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1mlj h MET 55 CO 0.01 0.36 0.48 0.87 1.06 0.00 0.00 176.91 179.69 1mlj h LYS 56 N -0.11 0.80 0.00 1.72 1.57 -0.80 -1.63 116.57 118.12 1mlj h LYS 56 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1mlj h LYS 56 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1mlj h LYS 56 CO 0.00 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 1mlj n ALA 57 N -2.37 2.62 -2.59 3.86 0.00 -0.69 -4.84 120.51 116.50 1mlj n ALA 57 Ca 0.13 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1mlj n ALA 57 Cb 0.25 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1mlj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mlj s SER 58 N -2.13 6.63 0.17 0.00 0.15 -0.62 -4.88 113.70 113.03 1mlj s SER 58 Ca 0.43 0.46 -0.13 0.00 0.70 0.00 0.00 55.95 57.40 1mlj s SER 58 Cb 0.21 -2.47 0.07 0.00 -1.71 0.00 0.00 66.02 62.12 1mlj s SER 58 CO 0.38 -0.95 1.77 -0.33 1.20 0.00 0.00 173.24 175.31 1mlj h GLU 59 N 8.71 0.80 -0.40 5.44 4.39 -1.88 -2.54 114.58 129.10 1mlj h GLU 59 Ca -0.23 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.42 1mlj h GLU 59 Cb 1.07 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 1mlj h GLU 59 CO 1.01 0.63 0.08 -0.44 -1.16 0.00 0.00 179.01 179.14 1mlj h ASP 60 N 0.76 0.02 -0.91 1.42 5.19 -1.97 -1.76 116.42 119.17 1mlj h ASP 60 Ca 0.20 0.07 0.08 0.00 -0.62 0.00 0.00 57.03 56.75 1mlj h ASP 60 Cb 0.08 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 39.61 1mlj h ASP 60 CO -0.03 0.04 0.56 0.25 -3.12 0.00 0.00 179.24 176.95 1mlj h LEU 61 N 0.21 0.87 -0.60 1.55 6.46 -1.89 -1.02 115.31 120.89 1mlj h LEU 61 Ca 0.19 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1mlj h LEU 61 Cb 0.23 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1mlj h LEU 61 CO -0.25 0.54 0.02 0.50 -0.62 0.00 0.00 178.44 178.63 1mlj h LYS 62 N 0.99 1.04 -0.78 1.25 3.64 -1.33 -0.57 116.57 120.81 1mlj h LYS 62 Ca 0.41 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1mlj h LYS 62 Cb 0.24 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1mlj h LYS 62 CO -0.20 1.01 0.40 0.87 -2.27 0.00 0.00 179.45 179.27 1mlj h LYS 63 N 0.94 1.11 -0.14 1.90 1.57 -1.13 -2.15 116.57 118.67 1mlj h LYS 63 Ca 0.17 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1mlj h LYS 63 Cb 0.53 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1mlj h LYS 63 CO 0.03 0.84 -0.39 1.25 -0.57 0.00 0.00 179.45 180.61 1mlj h HIS 64 N 1.10 0.37 0.00 -1.35 2.76 -0.95 -2.11 115.15 114.96 1mlj h HIS 64 Ca 0.27 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1mlj h HIS 64 Cb 0.07 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1mlj h HIS 64 CO 0.01 0.66 -0.12 0.78 -1.30 0.00 0.00 177.93 177.95 1mlj h GLY 65 N 1.16 0.00 1.10 5.26 0.00 -0.48 -0.89 103.07 109.22 1mlj h GLY 65 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 1mlj h GLY 65 CO 0.06 0.00 -0.92 -2.08 0.00 0.00 0.00 176.54 173.61 1mlj h VAL 66 N 0.00 1.32 0.54 4.60 2.07 -0.92 -1.08 116.25 122.78 1mlj h VAL 66 Ca -0.00 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 1mlj h VAL 66 Cb 0.38 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1mlj h VAL 66 CO 0.02 0.67 -0.29 0.74 0.02 0.00 0.00 177.57 178.73 1mlj h THR 67 N 0.27 0.41 -0.33 2.57 2.02 -1.11 -0.52 112.91 116.22 1mlj h THR 67 Ca -0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1mlj h THR 67 Cb 1.58 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 1mlj h THR 67 CO 0.18 0.00 0.02 0.15 0.37 0.00 0.00 175.52 176.24 1mlj h PHE 68 N -0.77 0.02 -0.14 3.16 3.57 -1.18 -2.21 116.94 119.39 1mlj h PHE 68 Ca -0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1mlj h PHE 68 Cb 0.60 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1mlj h PHE 68 CO -0.06 -0.03 -0.03 1.25 -2.23 0.00 0.00 178.31 177.21 1mlj h LEU 69 N 0.12 0.28 -0.49 0.59 5.85 -1.08 -1.91 115.31 118.66 1mlj h LEU 69 Ca 0.16 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.62 1mlj h LEU 69 Cb 0.20 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 1mlj h LEU 69 CO -0.25 0.57 -0.17 0.74 -0.34 0.00 0.00 178.44 179.00 1mlj h THR 70 N -0.03 0.42 -0.24 1.05 2.02 -1.06 -1.35 112.91 113.72 1mlj h THR 70 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1mlj h THR 70 Cb 0.45 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1mlj h THR 70 CO 0.01 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.95 1mlj h ALA 71 N 1.36 0.25 -0.71 6.16 0.00 -1.10 -0.93 119.26 124.28 1mlj h ALA 71 Ca 0.23 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1mlj h ALA 71 Cb 0.42 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1mlj h ALA 71 CO -0.53 -0.38 0.41 1.25 0.00 0.00 0.00 179.25 180.00 1mlj h LEU 72 N 0.14 0.62 -0.43 0.00 5.85 -1.34 -2.85 115.31 117.29 1mlj h LEU 72 Ca 0.11 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1mlj h LEU 72 Cb 0.11 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1mlj h LEU 72 CO -0.15 0.40 0.22 1.23 -0.34 0.00 0.00 178.44 179.80 1mlj h GLY 73 N 0.75 0.59 1.45 3.75 0.00 -1.04 -1.68 103.07 106.89 1mlj h GLY 73 Ca 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1mlj h GLY 73 CO -0.18 0.11 0.33 0.00 0.00 0.00 0.00 176.54 176.80 1mlj h ALA 74 N 1.23 1.72 -0.03 3.60 0.00 -1.01 -2.18 119.26 122.59 1mlj h ALA 74 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1mlj h ALA 74 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mlj h ALA 74 CO -0.13 0.24 -0.05 0.82 0.00 0.00 0.00 179.25 180.13 1mlj h ILE 75 N 0.60 1.42 -0.87 0.00 2.04 -1.23 -3.13 117.51 116.35 1mlj h ILE 75 Ca 0.19 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1mlj h ILE 75 Cb 0.03 2.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1mlj h ILE 75 CO -0.05 0.36 0.57 -0.07 0.00 0.00 0.00 178.15 178.96 1mlj h LEU 76 N -0.43 0.93 -1.62 1.44 3.38 -1.19 -2.42 115.31 115.40 1mlj h LEU 76 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mlj h LEU 76 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1mlj h LEU 76 CO 0.01 0.64 0.00 0.11 0.09 0.00 0.00 178.44 179.29 1mlj h LYS 77 N 1.08 0.00 0.00 1.13 1.57 -1.43 -0.98 116.57 117.93 1mlj h LYS 77 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1mlj h LYS 77 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1mlj h LYS 77 CO -0.10 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.41 1mlj n LYS 78 N -2.74 0.16 -3.83 3.15 4.76 -0.91 -4.94 118.16 113.82 1mlj n LYS 78 Ca -0.00 0.32 -0.28 0.00 -2.87 0.00 0.00 58.31 55.48 1mlj n LYS 78 Cb 0.19 -1.77 0.04 0.00 -1.84 0.00 0.00 35.03 31.65 1mlj n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mlj n LYS 79 N -2.07 -5.99 0.00 1.97 5.02 -0.37 -1.64 118.16 115.07 1mlj n LYS 79 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1mlj n LYS 79 Cb 0.27 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 1mlj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mlj n GLY 80 N -1.74 2.55 2.74 0.72 0.00 -1.26 -4.95 105.19 103.25 1mlj n GLY 80 Ca -0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1mlj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mlj n HIS 81 N 0.00 3.49 -0.03 1.61 8.25 -0.65 -4.66 115.22 123.23 1mlj n HIS 81 Ca 0.00 -2.96 0.01 0.00 -0.26 0.00 0.00 57.72 54.51 1mlj n HIS 81 Cb 0.00 -2.51 0.02 0.00 1.12 0.00 0.00 29.99 28.62 1mlj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mlj n HIS 82 N 5.92 0.07 -0.33 4.41 1.44 -1.26 -4.71 115.22 120.75 1mlj n HIS 82 Ca 0.51 -0.49 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 1mlj n HIS 82 Cb 0.39 -0.05 0.27 0.00 0.12 0.00 0.00 29.99 30.72 1mlj n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1mlj h GLU 83 N 0.32 0.02 0.00 -1.40 3.07 -1.99 -1.20 114.58 113.40 1mlj h GLU 83 Ca 0.00 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 1mlj h GLU 83 Cb 0.53 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1mlj h GLU 83 CO 0.00 0.02 -0.45 0.00 -1.40 0.00 0.00 179.01 177.18 1mlj h ALA 84 N 1.95 1.09 0.10 3.43 0.00 -2.01 -2.38 119.26 121.44 1mlj h ALA 84 Ca 0.57 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 1mlj h ALA 84 Cb 1.14 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1mlj h ALA 84 CO -0.89 0.56 -1.17 0.93 0.00 0.00 0.00 179.25 178.67 1mlj h GLU 85 N 0.00 0.46 0.00 0.00 3.07 -1.64 -3.13 114.58 113.34 1mlj h GLU 85 Ca -0.00 -0.62 -0.03 0.00 -0.50 0.00 0.00 59.36 58.20 1mlj h GLU 85 Cb 0.88 0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1mlj h GLU 85 CO 0.06 1.26 -0.16 1.25 -1.40 0.00 0.00 179.01 180.01 1mlj h LEU 86 N 0.20 0.00 0.65 1.33 5.85 -0.76 -3.36 115.31 119.23 1mlj h LEU 86 Ca -0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1mlj h LEU 86 Cb 1.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 1mlj h LEU 86 CO 0.21 0.16 -0.39 0.11 -0.34 0.00 0.00 178.44 178.19 1mlj h LYS 87 N 0.00 -0.94 0.00 1.25 1.57 -1.42 -0.83 116.57 116.20 1mlj h LYS 87 Ca -0.00 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1mlj h LYS 87 Cb 0.41 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1mlj h LYS 87 CO 0.02 -0.63 -0.01 -1.00 -0.57 0.00 0.00 179.45 177.27 1mlj h PRO 88 N -0.98 0.00 0.18 3.15 0.13 -1.77 -2.06 132.00 130.65 1mlj h PRO 88 Ca -0.09 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.75 1mlj h PRO 88 Cb 0.78 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.94 1mlj h PRO 88 CO 0.09 0.01 -1.26 1.25 -0.23 0.00 0.00 178.00 177.86 1mlj h LEU 89 N 0.00 0.80 -0.62 1.56 5.85 -1.65 -1.91 115.31 119.34 1mlj h LEU 89 Ca -0.00 -0.88 -0.13 0.00 0.84 0.00 0.00 57.88 57.70 1mlj h LEU 89 Cb 0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1mlj h LEU 89 CO 0.00 1.61 -0.37 0.00 -0.34 0.00 0.00 178.44 179.35 1mlj h ALA 90 N 0.20 0.80 -0.45 1.25 0.00 -1.00 -0.85 119.26 119.21 1mlj h ALA 90 Ca -0.21 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 1mlj h ALA 90 Cb 1.96 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1mlj h ALA 90 CO 0.24 0.65 -0.06 0.37 0.00 0.00 0.00 179.25 180.44 1mlj h GLN 91 N 0.56 0.84 -0.01 0.00 4.15 -1.28 -0.56 115.11 118.82 1mlj h GLN 91 Ca 0.05 -0.30 -0.24 0.00 0.77 0.00 0.00 58.65 58.94 1mlj h GLN 91 Cb 0.89 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.53 1mlj h GLN 91 CO 0.08 0.93 -0.97 0.66 -1.93 0.00 0.00 178.83 177.60 1mlj h SER 92 N 0.68 0.68 0.34 -0.69 4.64 -1.23 -0.78 113.55 117.20 1mlj h SER 92 Ca 0.12 -0.54 -0.18 0.00 -0.47 0.00 0.00 61.79 60.72 1mlj h SER 92 Cb 0.59 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1mlj h SER 92 CO 0.04 1.34 -0.76 0.45 -0.87 0.00 0.00 176.83 177.03 1mlj h HIS 93 N 0.30 0.47 0.07 4.77 3.86 -1.13 -0.37 115.15 123.13 1mlj h HIS 93 Ca -0.10 -0.22 -0.25 0.00 -1.16 0.00 0.00 60.37 58.65 1mlj h HIS 93 Cb 1.61 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 1mlj h HIS 93 CO 0.08 0.97 -1.16 0.00 0.86 0.00 0.00 177.93 178.68 1mlj h ALA 94 N 0.96 0.21 0.00 2.45 0.00 -1.07 0.80 119.26 122.62 1mlj h ALA 94 Ca -0.03 -0.91 -0.42 0.00 0.00 0.00 0.00 54.91 53.55 1mlj h ALA 94 Cb 1.33 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1mlj h ALA 94 CO 0.13 1.10 -2.46 2.41 0.00 0.00 0.00 179.25 180.43 1mlj n THR 95 N -3.45 1.44 -0.06 0.00 -1.04 -0.30 -3.43 114.28 107.44 1mlj n THR 95 Ca -0.05 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.05 61.49 1mlj n THR 95 Cb 0.99 -1.66 -0.02 0.00 -1.82 0.00 0.00 70.33 67.82 1mlj n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1mlj h LYS 96 N -0.55 0.00 0.00 -2.82 3.64 -1.39 -3.42 116.57 112.02 1mlj h LYS 96 Ca -0.63 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.54 1mlj h LYS 96 Cb 1.70 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.49 1mlj h LYS 96 CO -0.27 0.14 -1.11 0.45 -2.27 0.00 0.00 179.45 176.39 1mlj h HIS 97 N -1.00 0.00 -5.12 1.91 -0.00 -1.28 -3.49 115.15 106.17 1mlj h HIS 97 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1mlj h HIS 97 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1mlj h HIS 97 CO 0.01 0.92 -0.50 1.63 -0.00 0.00 0.00 177.93 179.99 1mlj n LYS 98 N -3.25 -2.30 -4.04 2.45 4.01 -0.43 -5.00 118.16 109.59 1mlj n LYS 98 Ca -0.04 2.06 -0.32 0.00 -0.51 0.00 0.00 58.31 59.51 1mlj n LYS 98 Cb 0.93 -5.39 -0.15 0.00 -0.51 0.00 0.00 35.03 29.91 1mlj n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mlj s ILE 99 N -2.43 2.01 0.67 -0.18 -1.09 0.14 -5.00 121.20 115.32 1mlj s ILE 99 Ca 0.22 -1.46 -0.17 0.00 -2.23 0.00 0.00 60.65 57.01 1mlj s ILE 99 Cb -0.06 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1mlj s ILE 99 CO 0.72 0.02 1.22 -2.16 -1.23 0.00 0.00 174.94 173.50 1mlj s PRO 100 N 1.19 2.48 0.31 2.79 0.04 -1.26 -4.75 135.00 135.80 1mlj s PRO 100 Ca -0.07 1.81 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1mlj s PRO 100 Cb -0.19 -1.87 0.65 0.00 0.04 0.00 0.00 34.50 33.13 1mlj s PRO 100 CO -0.06 -1.58 1.86 0.82 0.04 0.00 0.00 177.00 178.08 1mlj h ILE 101 N 0.20 0.92 -0.92 0.56 1.08 -1.97 0.38 117.51 117.75 1mlj h ILE 101 Ca -0.49 -0.30 0.13 0.00 -0.39 0.00 0.00 64.86 63.81 1mlj h ILE 101 Cb 1.30 -0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 1mlj h ILE 101 CO 0.52 0.16 0.59 0.50 -0.69 0.00 0.00 178.15 179.23 1mlj h LYS 102 N 0.89 0.77 -0.60 2.37 1.63 -2.00 -1.90 116.57 117.74 1mlj h LYS 102 Ca 0.46 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 60.14 1mlj h LYS 102 Cb 0.52 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1mlj h LYS 102 CO -0.22 0.51 0.08 1.88 -3.45 0.00 0.00 179.45 178.25 1mlj h TYR 103 N 0.79 1.03 0.00 1.91 -1.99 -0.60 -1.23 116.97 116.88 1mlj h TYR 103 Ca 0.46 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 61.05 1mlj h TYR 103 Cb 0.63 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 39.08 1mlj h TYR 103 CO -0.00 0.88 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.91 1mlj h LEU 104 N 0.91 0.00 0.06 3.88 3.38 -1.21 -2.23 115.31 120.11 1mlj h LEU 104 Ca 0.18 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.88 1mlj h LEU 104 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1mlj h LEU 104 CO 0.01 0.06 -1.19 -0.33 0.09 0.00 0.00 178.44 177.08 1mlj h GLU 105 N 0.00 0.35 -0.38 1.13 5.08 -0.55 -1.91 114.58 118.30 1mlj h GLU 105 Ca -0.00 -0.52 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1mlj h GLU 105 Cb 0.29 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1mlj h GLU 105 CO 0.01 1.22 0.03 0.74 -1.00 0.00 0.00 179.01 180.01 1mlj h PHE 106 N 0.13 0.70 0.00 4.33 0.04 -1.20 -2.35 116.94 118.58 1mlj h PHE 106 Ca -0.13 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.45 1mlj h PHE 106 Cb 1.89 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.84 1mlj h PHE 106 CO 0.07 0.71 -0.36 0.97 -0.60 0.00 0.00 178.31 179.11 1mlj h ILE 107 N 0.48 1.02 -0.23 -0.55 2.10 -1.35 -2.38 117.51 116.60 1mlj h ILE 107 Ca 0.11 -1.35 -0.08 0.00 1.08 0.00 0.00 64.86 64.63 1mlj h ILE 107 Cb 0.41 1.78 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1mlj h ILE 107 CO 0.01 0.35 -0.19 0.28 -1.08 0.00 0.00 178.15 177.53 1mlj h SER 108 N 0.00 0.40 0.54 2.19 0.02 -0.84 -0.14 113.55 115.72 1mlj h SER 108 Ca -0.00 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1mlj h SER 108 Cb 0.75 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1mlj h SER 108 CO 0.05 0.60 -0.63 -0.08 -1.14 0.00 0.00 176.83 175.64 1mlj h GLU 109 N 0.37 0.08 0.06 3.45 4.81 -1.26 -1.63 114.58 120.47 1mlj h GLU 109 Ca 0.06 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 58.97 1mlj h GLU 109 Cb 0.54 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.95 1mlj h GLU 109 CO 0.04 0.68 -1.11 0.00 -0.73 0.00 0.00 179.01 177.88 1mlj h ALA 110 N 1.30 0.15 -0.24 2.92 0.00 -0.82 -0.66 119.26 121.92 1mlj h ALA 110 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1mlj h ALA 110 Cb 1.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1mlj h ALA 110 CO 0.09 0.76 0.13 0.82 0.00 0.00 0.00 179.25 181.05 1mlj h ILE 111 N 0.26 1.12 -0.10 0.00 2.04 -0.73 -1.65 117.51 118.45 1mlj h ILE 111 Ca -0.14 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1mlj h ILE 111 Cb 1.78 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1mlj h ILE 111 CO 0.21 0.12 -0.19 0.40 0.00 0.00 0.00 178.15 178.68 1mlj h ILE 112 N 0.27 1.19 0.31 -0.67 2.04 -1.20 -1.56 117.51 117.89 1mlj h ILE 112 Ca 0.08 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1mlj h ILE 112 Cb 0.07 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1mlj h ILE 112 CO -0.01 0.26 -0.15 -0.74 0.00 0.00 0.00 178.15 177.51 1mlj h HIS 113 N 0.15 -0.39 -0.33 1.37 2.76 -0.75 -1.16 115.15 116.81 1mlj h HIS 113 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1mlj h HIS 113 Cb 0.42 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1mlj h HIS 113 CO 0.00 -0.10 0.22 0.28 -1.30 0.00 0.00 177.93 177.03 1mlj h VAL 114 N -0.65 1.09 -0.73 5.26 2.07 -1.11 -0.55 116.25 121.63 1mlj h VAL 114 Ca -0.04 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mlj h VAL 114 Cb 0.46 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1mlj h VAL 114 CO 0.07 0.08 0.43 -0.07 0.02 0.00 0.00 177.57 178.11 1mlj h LEU 115 N 0.45 0.88 -0.79 2.57 4.07 -1.23 0.69 115.31 121.96 1mlj h LEU 115 Ca 0.12 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1mlj h LEU 115 Cb -0.05 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.43 1mlj h LEU 115 CO -0.03 0.69 0.51 -0.74 -1.08 0.00 0.00 178.44 177.80 1mlj h HIS 116 N 1.00 0.97 0.06 1.13 2.76 -1.09 0.79 115.15 120.78 1mlj h HIS 116 Ca 0.26 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1mlj h HIS 116 Cb -0.02 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.61 1mlj h HIS 116 CO -0.01 0.59 -0.03 0.77 -1.30 0.00 0.00 177.93 177.95 1mlj h SER 117 N 1.03 -0.07 1.35 3.26 0.02 -0.44 -3.33 113.55 115.37 1mlj h SER 117 Ca 0.30 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1mlj h SER 117 Cb -0.07 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1mlj h SER 117 CO -0.08 0.20 -0.66 0.03 -1.14 0.00 0.00 176.83 175.18 1mlj h ARG 118 N -0.34 0.00 -2.04 3.45 3.08 -0.77 -3.41 114.38 114.35 1mlj h ARG 118 Ca -0.01 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.52 1mlj h ARG 118 Cb 0.30 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.94 1mlj h ARG 118 CO 0.01 0.62 -0.96 0.72 -1.07 0.00 0.00 179.97 179.30 1mlj n HIS 119 N -3.25 1.89 -0.12 3.04 8.25 0.26 -4.95 115.22 120.34 1mlj n HIS 119 Ca 0.01 -3.81 -0.02 0.00 -0.26 0.00 0.00 57.72 53.64 1mlj n HIS 119 Cb 0.79 -0.43 0.22 0.00 1.12 0.00 0.00 29.99 31.69 1mlj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mlj h PRO 120 N 2.98 0.80 0.00 -0.41 0.13 -1.73 0.50 132.00 134.27 1mlj h PRO 120 Ca 0.11 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1mlj h PRO 120 Cb 0.79 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1mlj h PRO 120 CO 0.64 0.70 0.00 0.78 -0.23 0.00 0.00 178.00 179.89 1mlj h GLY 121 N 0.94 0.00 -0.87 1.56 0.00 -1.92 -2.75 103.07 100.03 1mlj h GLY 121 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1mlj h GLY 121 CO -0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.23 1mlj n ASN 122 N -2.82 2.77 -2.66 0.19 3.02 0.01 -4.63 115.26 111.14 1mlj n ASN 122 Ca 0.02 -2.23 -0.10 0.00 -0.03 0.00 0.00 54.58 52.25 1mlj n ASN 122 Cb 0.36 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1mlj n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mlj n PHE 123 N -0.06 1.45 -1.17 3.10 7.35 -0.29 -4.65 117.46 123.19 1mlj n PHE 123 Ca 0.10 -2.68 -0.23 0.00 -0.76 0.00 0.00 57.45 53.88 1mlj n PHE 123 Cb 0.46 -0.32 0.18 0.00 0.35 0.00 0.00 39.48 40.15 1mlj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mlj n GLY 124 N -0.23 -2.29 0.28 7.13 0.00 -1.24 -4.61 105.19 104.25 1mlj n GLY 124 Ca 0.13 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.67 1mlj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mlj h ALA 125 N -2.33 1.12 -0.34 4.61 0.00 -1.99 0.55 119.26 120.88 1mlj h ALA 125 Ca -0.32 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1mlj h ALA 125 Cb 0.94 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1mlj h ALA 125 CO 0.21 -0.27 -0.39 -0.44 0.00 0.00 0.00 179.25 178.36 1mlj h ASP 126 N 0.39 0.87 -0.30 0.00 3.32 -1.99 -1.36 116.42 117.35 1mlj h ASP 126 Ca 0.45 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1mlj h ASP 126 Cb 0.75 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1mlj h ASP 126 CO -0.46 1.15 -0.25 0.00 -1.72 0.00 0.00 179.24 177.96 1mlj h ALA 127 N 0.89 0.83 -0.22 3.45 0.00 -1.83 -0.87 119.26 121.50 1mlj h ALA 127 Ca 0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1mlj h ALA 127 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1mlj h ALA 127 CO 0.09 0.64 -0.35 0.37 0.00 0.00 0.00 179.25 180.00 1mlj h GLN 128 N 0.69 0.48 -0.62 0.00 4.15 -0.71 -0.61 115.11 118.49 1mlj h GLN 128 Ca 0.09 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.20 1mlj h GLN 128 Cb 0.77 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1mlj h GLN 128 CO 0.06 0.77 0.03 0.78 -1.93 0.00 0.00 178.83 178.54 1mlj h GLY 129 N 1.08 1.15 1.06 2.39 0.00 -0.82 0.48 103.07 108.40 1mlj h GLY 129 Ca 0.04 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.44 1mlj h GLY 129 CO 0.07 0.76 -0.09 0.00 0.00 0.00 0.00 176.54 177.27 1mlj h ALA 130 N 1.00 0.69 -0.57 3.60 0.00 -0.79 -0.96 119.26 122.23 1mlj h ALA 130 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1mlj h ALA 130 Cb 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1mlj h ALA 130 CO 0.03 0.59 0.24 1.98 0.00 0.00 0.00 179.25 182.08 1mlj h MET 131 N 0.82 0.85 -0.31 0.00 -1.53 -0.89 -1.18 114.93 112.67 1mlj h MET 131 Ca 0.13 -0.15 0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1mlj h MET 131 Cb 0.65 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 1mlj h MET 131 CO 0.04 0.72 0.20 -0.97 0.14 0.00 0.00 176.91 177.05 1mlj h ASN 132 N 0.78 0.35 -0.61 1.39 -1.24 -0.79 -1.10 115.58 114.35 1mlj h ASN 132 Ca 0.19 -0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.30 1mlj h ASN 132 Cb 0.19 -0.08 -0.08 0.00 0.73 0.00 0.00 38.32 39.07 1mlj h ASN 132 CO -0.02 0.25 0.17 0.50 -1.29 0.00 0.00 177.43 177.04 1mlj h LYS 133 N 0.42 0.30 -0.67 6.67 3.64 -0.87 -0.05 116.57 126.02 1mlj h LYS 133 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1mlj h LYS 133 Cb -0.04 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1mlj h LYS 133 CO -0.03 0.20 0.21 0.00 -2.27 0.00 0.00 179.45 177.56 1mlj h ALA 134 N 1.47 0.87 -0.00 5.00 0.00 -0.78 -0.33 119.26 125.48 1mlj h ALA 134 Ca 0.32 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1mlj h ALA 134 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mlj h ALA 134 CO -0.38 0.55 -0.76 -0.07 0.00 0.00 0.00 179.25 178.59 1mlj h LEU 135 N 0.97 0.06 -0.98 0.00 3.38 -1.06 -1.74 115.31 115.94 1mlj h LEU 135 Ca 0.22 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1mlj h LEU 135 Cb 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1mlj h LEU 135 CO -0.01 0.80 -0.01 -0.33 0.09 0.00 0.00 178.44 178.98 1mlj h GLU 136 N 0.03 0.72 -0.03 1.13 5.08 -0.88 0.09 114.58 120.72 1mlj h GLU 136 Ca -0.01 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1mlj h GLU 136 Cb 1.34 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1mlj h GLU 136 CO 0.10 0.74 0.01 1.25 -1.00 0.00 0.00 179.01 180.12 1mlj h LEU 137 N 0.67 0.04 -0.66 1.33 5.85 -0.86 0.18 115.31 121.86 1mlj h LEU 137 Ca 0.13 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1mlj h LEU 137 Cb 0.44 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1mlj h LEU 137 CO 0.02 0.18 0.33 0.15 -0.34 0.00 0.00 178.44 178.78 1mlj h PHE 138 N -0.10 0.60 -0.33 1.25 3.57 -1.12 -1.44 116.94 119.37 1mlj h PHE 138 Ca 0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1mlj h PHE 138 Cb 0.15 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1mlj h PHE 138 CO -0.02 0.24 -0.02 0.00 -2.23 0.00 0.00 178.31 176.27 1mlj h ARG 139 N 0.59 0.61 -0.24 1.11 3.08 -0.68 0.18 114.38 119.03 1mlj h ARG 139 Ca 0.32 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1mlj h ARG 139 Cb 0.29 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1mlj h ARG 139 CO -0.23 0.75 0.07 -0.22 -1.07 0.00 0.00 179.97 179.26 1mlj h LYS 140 N 0.40 0.17 -0.27 0.04 3.64 -0.80 0.44 116.57 120.19 1mlj h LYS 140 Ca 0.09 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1mlj h LYS 140 Cb 0.49 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1mlj h LYS 140 CO 0.02 0.11 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.86 1mlj h ASP 141 N 0.17 0.48 -0.76 4.20 5.19 -1.10 -2.06 116.42 122.53 1mlj h ASP 141 Ca 0.11 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 1mlj h ASP 141 Cb 0.09 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 1mlj h ASP 141 CO -0.13 0.68 0.45 0.40 -3.12 0.00 0.00 179.24 177.53 1mlj h ILE 142 N 0.26 1.22 -0.77 0.35 1.08 -0.58 -2.34 117.51 116.74 1mlj h ILE 142 Ca 0.08 -0.49 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 1mlj h ILE 142 Cb 0.44 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 1mlj h ILE 142 CO 0.02 0.23 0.51 0.00 -0.69 0.00 0.00 178.15 178.21 1mlj h ALA 143 N 1.24 1.52 -0.42 1.87 0.00 -0.67 -0.75 119.26 122.05 1mlj h ALA 143 Ca 0.27 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1mlj h ALA 143 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1mlj h ALA 143 CO -0.05 0.41 -0.28 0.00 0.00 0.00 0.00 179.25 179.32 1mlj h ALA 144 N 1.55 0.60 -0.05 0.00 0.00 -1.21 -2.02 119.26 118.12 1mlj h ALA 144 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mlj h ALA 144 Cb 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1mlj h ALA 144 CO -0.08 0.64 0.02 0.87 0.00 0.00 0.00 179.25 180.70 1mlj h LYS 145 N 0.77 0.05 -0.68 0.00 1.79 -1.23 -2.33 116.57 114.94 1mlj h LYS 145 Ca 0.08 -0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.70 1mlj h LYS 145 Cb 0.87 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.39 1mlj h LYS 145 CO 0.08 0.04 -0.00 1.88 -1.08 0.00 0.00 179.45 180.36 1mlj h TYR 146 N 0.06 -0.05 0.21 -1.35 -1.99 -0.90 -1.28 116.97 111.66 1mlj h TYR 146 Ca 0.02 0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1mlj h TYR 146 Cb 0.00 0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1mlj h TYR 146 CO -0.09 -0.20 -0.27 0.87 -0.00 0.00 0.00 178.16 178.48 1mlj h LYS 147 N 0.11 -0.52 -0.44 4.88 6.56 -1.23 -0.08 116.57 125.85 1mlj h LYS 147 Ca 0.36 0.04 0.13 0.00 -1.06 0.00 0.00 60.65 60.11 1mlj h LYS 147 Cb 0.60 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.36 1mlj h LYS 147 CO -0.59 -0.34 0.42 0.93 -2.06 0.00 0.00 179.45 177.81 1mlj h GLU 148 N -0.54 0.00 -0.01 3.15 5.08 -1.05 -2.04 114.58 119.18 1mlj h GLU 148 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1mlj h GLU 148 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1mlj h GLU 148 CO -0.10 0.00 -0.25 1.28 -1.00 0.00 0.00 179.01 178.95 1mlj n LEU 149 N -3.89 0.82 0.00 1.33 4.77 -0.23 -4.93 117.00 114.87 1mlj n LEU 149 Ca 0.08 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1mlj n LEU 149 Cb 0.61 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1mlj n LEU 149 CO 0.30 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1mlj n GLY 150 N 1.35 0.84 3.61 -0.72 0.00 -0.77 -5.04 105.19 104.46 1mlj n GLY 150 Ca 0.12 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1mlj n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mlj s TYR 151 N -2.00 3.12 0.00 1.61 5.04 -0.21 -4.91 117.35 120.00 1mlj s TYR 151 Ca 0.00 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1mlj s TYR 151 Cb 0.00 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.43 1mlj s TYR 151 CO 0.00 0.26 0.00 0.94 -1.34 0.00 0.00 175.55 175.41 1mlj n GLN 152 N 2.78 0.00 0.00 4.97 7.27 -1.26 -3.83 117.38 127.31 1mlj n GLN 152 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1mlj n GLN 152 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 1mlj n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54