#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jww n MET 2 N 0.00 0.00 0.08 -1.46 1.56 -1.26 -4.73 117.12 111.31 2jww n MET 2 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.36 2jww n MET 2 Cb 0.00 0.00 0.07 0.00 2.15 0.00 0.00 33.22 35.44 2jww n MET 2 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 2jww h THR 3 N 0.00 1.41 0.00 1.12 1.35 -1.96 1.29 112.91 116.13 2jww h THR 3 Ca 0.00 -2.19 -0.08 0.00 -0.55 0.00 0.00 66.41 63.59 2jww h THR 3 Cb 0.00 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2jww h THR 3 CO 0.00 0.64 -0.40 0.44 -0.25 0.00 0.00 175.52 175.96 2jww h ASP 4 N 0.18 0.00 0.00 5.36 5.19 -2.00 -3.39 116.42 121.75 2jww h ASP 4 Ca -0.02 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2jww h ASP 4 Cb 1.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 2jww h ASP 4 CO 0.11 0.40 -0.90 0.18 -3.12 0.00 0.00 179.24 175.91 2jww n LEU 5 N -3.35 1.62 -4.83 1.55 7.99 -1.17 -5.01 117.00 113.80 2jww n LEU 5 Ca 0.01 0.26 -0.35 0.00 -0.01 0.00 0.00 56.01 55.92 2jww n LEU 5 Cb 0.60 -0.60 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 2jww n LEU 5 CO 0.38 -0.29 0.33 -0.76 -1.51 0.00 0.00 177.39 175.53 2jww s LEU 6 N -7.52 4.31 -0.22 2.23 1.43 0.44 -4.74 118.68 114.61 2jww s LEU 6 Ca -0.21 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.84 2jww s LEU 6 Cb 0.04 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 2jww s LEU 6 CO 0.30 0.04 2.17 -0.94 0.23 0.00 0.00 176.35 178.15 2jww s SER 7 N -1.76 5.52 0.16 2.29 1.04 -1.26 -3.97 113.70 115.73 2jww s SER 7 Ca 0.42 1.86 -0.13 0.00 0.48 0.00 0.00 55.95 58.58 2jww s SER 7 Cb -0.15 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.51 2jww s SER 7 CO 0.20 -1.91 1.71 0.00 0.98 0.00 0.00 173.24 174.21 2jww h ALA 8 N 14.74 0.70 -0.10 5.32 0.00 -1.82 -1.71 119.26 136.38 2jww h ALA 8 Ca -0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jww h ALA 8 Cb 1.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jww h ALA 8 CO 0.97 0.33 0.06 1.49 0.00 0.00 0.00 179.25 182.09 2jww h GLU 9 N 0.73 0.14 0.21 0.00 4.57 -1.95 -2.32 114.58 115.97 2jww h GLU 9 Ca 0.18 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2jww h GLU 9 Cb 0.22 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2jww h GLU 9 CO -0.01 0.14 -0.10 -0.44 -1.18 0.00 0.00 179.01 177.42 2jww h ASP 10 N 0.09 -0.24 -0.02 1.04 5.19 -1.82 -2.27 116.42 118.39 2jww h ASP 10 Ca 0.04 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2jww h ASP 10 Cb 0.04 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 2jww h ASP 10 CO -0.01 -0.15 -0.22 0.40 -3.12 0.00 0.00 179.24 176.14 2jww h ILE 11 N -0.31 0.48 -0.53 0.35 2.04 -1.29 0.82 117.51 119.07 2jww h ILE 11 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2jww h ILE 11 Cb 0.24 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 2jww h ILE 11 CO 0.05 0.00 0.23 0.50 0.00 0.00 0.00 178.15 178.92 2jww h LYS 12 N -0.34 0.42 0.01 2.37 3.64 -1.40 0.99 116.57 122.25 2jww h LYS 12 Ca 0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jww h LYS 12 Cb 0.43 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jww h LYS 12 CO -0.22 0.28 -0.00 0.87 -2.27 0.00 0.00 179.45 178.11 2jww h LYS 13 N 0.43 -0.01 0.12 1.90 1.57 -0.88 -2.26 116.57 117.45 2jww h LYS 13 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2jww h LYS 13 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jww h LYS 13 CO -0.22 0.39 -0.06 0.00 -0.57 0.00 0.00 179.45 178.99 2jww h ALA 14 N 0.58 -0.16 -0.53 3.86 0.00 0.92 0.35 119.26 124.28 2jww h ALA 14 Ca -0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2jww h ALA 14 Cb 0.40 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2jww h ALA 14 CO 0.00 -0.43 0.26 0.82 0.00 0.00 0.00 179.25 179.90 2jww h ILE 15 N -0.47 0.94 0.07 0.00 2.04 0.92 0.48 117.51 121.49 2jww h ILE 15 Ca -0.02 -0.17 -0.26 0.00 1.00 0.00 0.00 64.86 65.41 2jww h ILE 15 Cb 0.38 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2jww h ILE 15 CO 0.03 0.09 -1.12 1.23 0.00 0.00 0.00 178.15 178.38 2jww h GLY 16 N 0.51 0.52 1.49 5.37 0.00 -1.42 -3.19 103.07 106.34 2jww h GLY 16 Ca 0.24 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2jww h GLY 16 CO -0.17 0.92 0.00 0.00 0.00 0.00 0.00 176.54 177.29 2jww n ALA 17 N -2.59 2.22 -3.80 3.60 0.00 0.12 -4.40 120.51 115.67 2jww n ALA 17 Ca -0.10 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 2jww n ALA 17 Cb 0.93 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 2jww n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jww s PHE 18 N -2.49 3.37 -0.17 0.00 0.08 0.14 -4.86 117.98 114.05 2jww s PHE 18 Ca 0.24 -2.93 -0.14 0.00 0.12 0.00 0.00 56.93 54.22 2jww s PHE 18 Cb 0.16 -3.05 -0.22 0.00 -0.57 0.00 0.00 43.02 39.33 2jww s PHE 18 CO 0.34 -0.78 0.25 2.41 -0.10 0.00 0.00 175.22 177.34 2jww n THR 19 N 3.17 1.65 -0.09 0.64 -1.04 -1.26 -4.21 114.28 113.14 2jww n THR 19 Ca 0.09 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 2jww n THR 19 Cb 0.36 -1.88 -0.13 0.00 -1.82 0.00 0.00 70.33 66.85 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jww n ALA 20 N -3.26 1.35 -0.02 2.41 0.00 -1.26 -3.90 120.51 115.83 2jww n ALA 20 Ca -0.33 -1.04 -0.06 0.00 0.00 0.00 0.00 53.44 52.01 2jww n ALA 20 Cb 0.86 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 2jww n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jww h ALA 21 N 0.28 -0.58 -0.24 0.00 0.00 -1.90 1.33 119.26 118.15 2jww h ALA 21 Ca -0.53 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.42 2jww h ALA 21 Cb 2.00 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 20.57 2jww h ALA 21 CO -0.02 -0.67 0.17 -0.44 0.00 0.00 0.00 179.25 178.29 2jww h ASP 22 N -0.21 0.06 -0.08 0.00 3.32 -1.77 0.69 116.42 118.43 2jww h ASP 22 Ca 0.02 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2jww h ASP 22 Cb 0.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2jww h ASP 22 CO -0.19 0.04 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.06 2jww h SER 23 N 0.07 0.25 0.01 6.45 0.87 -0.56 -3.26 113.55 117.40 2jww h SER 23 Ca 0.11 -0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.27 2jww h SER 23 Cb 0.34 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 2jww h SER 23 CO -0.01 0.33 -2.01 0.33 -0.53 0.00 0.00 176.83 174.94 2jww n PHE 24 N -4.35 0.50 -3.16 2.24 -0.00 0.42 -4.43 117.46 108.67 2jww n PHE 24 Ca -0.00 0.19 0.03 0.00 -0.00 0.00 0.00 57.45 57.67 2jww n PHE 24 Cb 0.20 -1.05 -0.01 0.00 -0.00 0.00 0.00 39.48 38.62 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2jww s ASP 25 N -7.12 -1.47 0.46 -2.13 2.15 0.21 -4.46 116.67 104.30 2jww s ASP 25 Ca -0.33 0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.21 2jww s ASP 25 Cb 0.10 2.00 1.21 0.00 -0.30 0.00 0.00 42.92 45.93 2jww s ASP 25 CO 0.57 -0.30 1.89 -0.74 -0.17 0.00 0.00 175.17 176.42 2jww h HIS 26 N 8.01 0.00 -0.52 -5.34 -0.00 -1.73 -3.16 115.15 112.41 2jww h HIS 26 Ca -0.05 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.42 2jww h HIS 26 Cb 1.18 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.49 2jww h HIS 26 CO 0.24 0.00 -0.17 0.87 -0.00 0.00 0.00 177.93 178.87 2jww h LYS 27 N 0.00 -0.04 -0.45 5.26 1.79 -1.93 1.41 116.57 122.61 2jww h LYS 27 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2jww h LYS 27 Cb 0.50 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 2jww h LYS 27 CO 0.00 -0.03 0.28 0.87 -1.08 0.00 0.00 179.45 179.49 2jww h LYS 28 N -0.04 0.55 -0.76 3.15 1.79 -1.92 -0.28 116.57 119.05 2jww h LYS 28 Ca 0.25 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.77 2jww h LYS 28 Cb 0.42 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.90 2jww h LYS 28 CO -0.56 0.36 0.50 0.35 -1.08 0.00 0.00 179.45 179.02 2jww h PHE 29 N 0.57 0.73 -0.77 -1.35 3.57 -0.62 0.21 116.94 119.27 2jww h PHE 29 Ca 0.17 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.89 2jww h PHE 29 Cb -0.03 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 2jww h PHE 29 CO -0.06 0.35 0.54 0.35 -2.23 0.00 0.00 178.31 177.26 2jww h PHE 30 N 0.69 0.19 0.17 0.41 3.04 0.36 1.25 116.94 123.04 2jww h PHE 30 Ca 0.35 0.01 -0.31 0.00 3.98 0.00 0.00 57.97 61.99 2jww h PHE 30 Cb 0.43 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 38.89 2jww h PHE 30 CO -0.00 0.06 -1.53 1.96 -2.02 0.00 0.00 178.31 176.78 2jww h GLN 31 N 0.15 0.35 -0.17 1.11 4.20 -0.51 -2.72 115.11 117.51 2jww h GLN 31 Ca 0.38 -0.60 -0.16 0.00 0.06 0.00 0.00 58.65 58.33 2jww h GLN 31 Cb 1.27 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 2jww h GLN 31 CO -0.06 1.29 -0.55 0.52 -0.67 0.00 0.00 178.83 179.36 2jww h MET 32 N -0.07 0.52 0.00 1.46 2.86 -0.19 -2.99 114.93 116.51 2jww h MET 32 Ca -0.31 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 56.99 2jww h MET 32 Cb 1.95 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.65 2jww h MET 32 CO 0.14 0.93 -0.06 -0.24 1.06 0.00 0.00 176.91 178.74 2jww h VAL 33 N 0.40 0.24 0.00 -2.22 3.04 0.14 -3.41 116.25 114.43 2jww h VAL 33 Ca 0.01 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2jww h VAL 33 Cb 1.09 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2jww h VAL 33 CO 0.10 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.33 2jww n GLY 34 N -0.46 0.59 0.23 3.17 0.00 -1.13 -3.53 105.19 104.06 2jww n GLY 34 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 2jww n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jww h LEU 35 N 0.00 0.46 -0.07 0.99 3.38 -1.73 -1.57 115.31 116.77 2jww h LEU 35 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jww h LEU 35 Cb 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2jww h LEU 35 CO 0.00 0.73 0.00 0.29 0.09 0.00 0.00 178.44 179.55 2jww n LYS 36 N -4.11 0.20 0.23 1.13 5.02 -1.23 -3.50 118.16 115.90 2jww n LYS 36 Ca -0.01 0.19 0.18 0.00 -2.02 0.00 0.00 58.31 56.65 2jww n LYS 36 Cb 0.42 -1.74 0.81 0.00 -0.02 0.00 0.00 35.03 34.49 2jww n LYS 36 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jww h LYS 37 N 0.00 0.00 0.00 1.97 3.11 -1.61 -3.42 116.57 116.61 2jww h LYS 37 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 2jww h LYS 37 Cb 0.64 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.82 2jww h LYS 37 CO 0.00 0.00 -0.21 1.63 -2.81 0.00 0.00 179.45 178.06 2jww n LYS 38 N -3.31 0.70 -2.31 1.90 5.02 -1.23 -5.10 118.16 113.82 2jww n LYS 38 Ca 0.02 -1.56 -0.25 0.00 -2.02 0.00 0.00 58.31 54.50 2jww n LYS 38 Cb 0.45 0.90 0.08 0.00 -0.02 0.00 0.00 35.03 36.45 2jww n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jww s SER 39 N -2.13 4.67 0.20 4.39 1.04 -1.26 -4.85 113.70 115.76 2jww s SER 39 Ca 0.11 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 2jww s SER 39 Cb 0.01 -0.82 0.24 0.00 0.10 0.00 0.00 66.02 65.54 2jww s SER 39 CO 0.07 -1.66 1.67 0.00 0.98 0.00 0.00 173.24 174.30 2jww h ALA 40 N -0.57 0.54 -0.94 5.32 0.00 -1.93 -0.10 119.26 121.58 2jww h ALA 40 Ca -0.43 0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.81 2jww h ALA 40 Cb 1.30 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 2jww h ALA 40 CO 0.54 -0.39 0.60 0.38 0.00 0.00 0.00 179.25 180.38 2jww h ASP 41 N 0.12 0.69 0.13 0.00 3.04 -1.97 0.45 116.42 118.88 2jww h ASP 41 Ca 0.29 0.06 -0.01 0.00 -3.24 0.00 0.00 57.03 54.13 2jww h ASP 41 Cb 0.45 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 2jww h ASP 41 CO -0.47 0.32 -0.06 0.44 -2.04 0.00 0.00 179.24 177.42 2jww h ASP 42 N 0.71 -0.15 -0.64 4.15 3.32 -1.41 -3.22 116.42 119.19 2jww h ASP 42 Ca 0.50 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2jww h ASP 42 Cb 0.81 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 2jww h ASP 42 CO -0.26 0.35 0.42 -0.37 -1.72 0.00 0.00 179.24 177.67 2jww h VAL 43 N -0.70 1.16 -0.91 -1.35 -1.51 -0.75 -1.78 116.25 110.41 2jww h VAL 43 Ca -0.02 -0.30 0.26 0.00 -1.23 0.00 0.00 66.70 65.42 2jww h VAL 43 Cb 0.52 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 29.86 2jww h VAL 43 CO 0.03 0.16 0.70 0.11 -1.23 0.00 0.00 177.57 177.34 2jww h LYS 44 N 0.86 0.00 0.14 5.19 1.57 -0.13 -0.43 116.57 123.77 2jww h LYS 44 Ca 0.23 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2jww h LYS 44 Cb -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2jww h LYS 44 CO -0.05 0.00 -0.17 0.87 -0.57 0.00 0.00 179.45 179.53 2jww h LYS 45 N 0.00 -0.34 0.00 3.15 6.56 -1.39 0.53 116.57 125.08 2jww h LYS 45 Ca 0.43 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.03 2jww h LYS 45 Cb 1.83 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 33.57 2jww h LYS 45 CO -0.00 -0.22 -0.06 -0.24 -2.06 0.00 0.00 179.45 176.86 2jww h VAL 46 N -0.35 0.74 -0.09 0.50 3.04 -1.25 -1.70 116.25 117.15 2jww h VAL 46 Ca 0.01 -0.25 -0.22 0.00 -1.01 0.00 0.00 66.70 65.24 2jww h VAL 46 Cb 0.35 1.15 0.01 0.00 -2.01 0.00 0.00 31.29 30.78 2jww h VAL 46 CO -0.07 0.06 -0.82 0.15 -1.01 0.00 0.00 177.57 175.88 2jww h PHE 47 N 0.00 0.87 -0.38 3.17 3.57 -0.70 -3.25 116.94 120.23 2jww h PHE 47 Ca -0.00 -0.41 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 2jww h PHE 47 Cb 0.14 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2jww h PHE 47 CO 0.00 1.22 -0.08 1.25 -2.23 0.00 0.00 178.31 178.47 2jww h HIS 48 N 0.41 0.80 -0.62 0.41 2.76 0.85 1.62 115.15 121.38 2jww h HIS 48 Ca -0.06 -0.17 0.13 0.00 -2.20 0.00 0.00 60.37 58.07 2jww h HIS 48 Cb 1.44 -0.20 -0.11 0.00 1.55 0.00 0.00 27.41 30.09 2jww h HIS 48 CO 0.07 0.85 -0.08 0.82 -1.30 0.00 0.00 177.93 178.30 2jww h ILE 49 N 0.52 0.43 0.00 6.26 1.08 -1.48 0.86 117.51 125.18 2jww h ILE 49 Ca 0.10 -0.02 -0.20 0.00 -0.39 0.00 0.00 64.86 64.35 2jww h ILE 49 Cb 0.59 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2jww h ILE 49 CO 0.03 0.01 -1.27 0.17 -0.69 0.00 0.00 178.15 176.40 2jww h LEU 50 N 0.05 0.00 -3.85 1.44 8.10 -1.57 -3.35 115.31 116.13 2jww h LEU 50 Ca 0.31 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 57.76 2jww h LEU 50 Cb 0.50 0.00 -0.29 0.00 -0.44 0.00 0.00 40.66 40.43 2jww h LEU 50 CO -0.59 0.74 0.36 -0.67 -4.11 0.00 0.00 178.44 174.18 2jww n ASP 51 N -3.06 5.59 -0.02 0.17 -0.08 0.55 -4.66 116.55 115.04 2jww n ASP 51 Ca -0.08 -3.75 -0.13 0.00 -1.51 0.00 0.00 54.79 49.32 2jww n ASP 51 Cb 0.89 -0.78 -0.09 0.00 2.34 0.00 0.00 41.12 43.49 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2jww h LYS 52 N 1.68 0.08 -0.12 -0.67 2.10 0.55 -3.32 116.57 116.87 2jww h LYS 52 Ca 0.51 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2jww h LYS 52 Cb 1.48 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.81 2jww h LYS 52 CO 1.16 0.51 -0.00 -3.47 -2.00 0.00 0.00 179.45 175.65 2jww n ASP 53 N -4.81 3.06 -0.04 7.07 2.03 -1.26 -4.61 116.55 117.99 2jww n ASP 53 Ca -0.08 -3.06 0.10 0.00 0.52 0.00 0.00 54.79 52.27 2jww n ASP 53 Cb 0.26 -0.48 0.59 0.00 -0.72 0.00 0.00 41.12 40.76 2jww n ASP 53 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2jww n LYS 54 N -1.01 1.05 -0.89 -0.67 3.00 -1.25 -4.87 118.16 113.52 2jww n LYS 54 Ca 0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2jww n LYS 54 Cb 0.76 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.46 2jww n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jww n SER 55 N -0.74 -1.29 0.00 3.14 2.88 -1.26 -3.58 113.62 112.77 2jww n SER 55 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2jww n SER 55 Cb 0.09 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jww n GLY 56 N -2.43 1.47 2.89 0.46 0.00 -1.26 -5.03 105.19 101.28 2jww n GLY 56 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jww n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jww s PHE 57 N -2.41 -0.08 -0.01 1.61 -0.12 -1.23 -1.29 117.98 114.45 2jww s PHE 57 Ca 0.00 0.28 -0.02 0.00 -0.05 0.00 0.00 56.93 57.14 2jww s PHE 57 Cb 0.00 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2jww s PHE 57 CO 0.00 -0.10 0.14 0.42 -0.05 0.00 0.00 175.22 175.63 2jww s ILE 58 N 0.76 5.17 -0.25 -4.49 1.01 -0.84 -4.90 121.20 117.66 2jww s ILE 58 Ca -0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2jww s ILE 58 Cb -0.08 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2jww s ILE 58 CO -0.03 0.35 0.21 -1.61 0.00 0.00 0.00 174.94 173.85 2jww s GLU 59 N -1.82 4.03 0.42 2.79 2.02 -1.26 -2.27 118.70 122.60 2jww s GLU 59 Ca 0.25 -0.23 0.35 0.00 0.02 0.00 0.00 54.97 55.36 2jww s GLU 59 Cb -0.12 -3.59 1.36 0.00 0.10 0.00 0.00 34.13 31.88 2jww s GLU 59 CO 0.16 -0.06 1.32 -0.85 0.02 0.00 0.00 175.26 175.85 2jww n GLU 60 N 4.67 -0.02 0.06 1.61 0.28 -1.21 0.16 120.64 126.20 2jww n GLU 60 Ca -0.14 0.99 -0.12 0.00 -0.16 0.00 0.00 57.16 57.74 2jww n GLU 60 Cb 0.52 -2.11 -0.08 0.00 1.43 0.00 0.00 31.44 31.20 2jww n GLU 60 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2jww h ASP 61 N 0.00 -0.18 1.80 -1.84 3.32 -1.92 -3.23 116.42 114.37 2jww h ASP 61 Ca 0.77 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2jww h ASP 61 Cb 2.79 0.05 0.00 0.00 0.22 0.00 0.00 39.33 42.39 2jww h ASP 61 CO -0.21 0.32 0.00 -0.33 -1.72 0.00 0.00 179.24 177.30 2jww h GLU 62 N -0.76 0.00 -0.73 3.56 4.39 -0.61 -3.31 114.58 117.12 2jww h GLU 62 Ca -0.02 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.84 2jww h GLU 62 Cb 0.52 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.05 2jww h GLU 62 CO 0.04 0.00 0.04 1.25 -1.16 0.00 0.00 179.01 179.18 2jww h LEU 63 N 0.00 -0.26 -1.40 1.33 7.12 0.15 0.25 115.31 122.50 2jww h LEU 63 Ca 0.00 0.18 0.19 0.00 0.13 0.00 0.00 57.88 58.38 2jww h LEU 63 Cb 0.90 0.30 -0.07 0.00 -0.53 0.00 0.00 40.66 41.26 2jww h LEU 63 CO 0.00 -0.14 0.60 1.23 -0.13 0.00 0.00 178.44 180.00 2jww h GLY 64 N 0.14 1.06 0.21 3.75 0.00 -1.66 1.16 103.07 107.73 2jww h GLY 64 Ca 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2jww h GLY 64 CO -0.61 -0.00 -0.10 0.23 0.00 0.00 0.00 176.54 176.06 2jww h SER 65 N 0.50 -0.23 0.11 0.19 0.87 -0.78 -3.26 113.55 110.96 2jww h SER 65 Ca 0.49 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2jww h SER 65 Cb 1.08 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2jww h SER 65 CO -0.21 0.26 0.00 -0.29 -0.53 0.00 0.00 176.83 176.06 2jww h ILE 66 N -1.06 0.00 -0.46 2.23 6.09 -0.87 -2.56 117.51 120.88 2jww h ILE 66 Ca -0.03 -0.04 0.13 0.00 -1.37 0.00 0.00 64.86 63.56 2jww h ILE 66 Cb 0.26 0.65 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 2jww h ILE 66 CO 0.05 0.00 0.52 -0.07 -3.07 0.00 0.00 178.15 175.58 2jww h LEU 67 N 0.00 0.00 -1.46 2.19 4.07 0.13 -1.42 115.31 118.83 2jww h LEU 67 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 2jww h LEU 67 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2jww h LEU 67 CO 0.00 0.00 0.61 0.11 -1.08 0.00 0.00 178.44 178.08 2jww h LYS 68 N 0.00 0.00 -0.67 1.13 1.57 -1.67 -0.49 116.57 116.45 2jww h LYS 68 Ca 0.22 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 2jww h LYS 68 Cb 1.26 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.45 2jww h LYS 68 CO -0.00 0.00 -0.36 0.78 -0.57 0.00 0.00 179.45 179.30 2jww h GLY 69 N 0.00 -0.12 0.08 3.86 0.00 -1.55 0.83 103.07 106.17 2jww h GLY 69 Ca 0.11 0.47 -0.40 0.00 0.00 0.00 0.00 47.33 47.50 2jww h GLY 69 CO -0.00 -0.20 -2.36 1.97 0.00 0.00 0.00 176.54 175.95 2jww n PHE 70 N -5.44 0.23 1.09 5.60 -1.74 -0.66 -4.41 117.46 112.14 2jww n PHE 70 Ca 0.05 0.06 0.07 0.00 -0.56 0.00 0.00 57.45 57.07 2jww n PHE 70 Cb 0.36 -1.03 0.41 0.00 1.52 0.00 0.00 39.48 40.75 2jww n PHE 70 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2jww n SER 71 N -3.67 0.00 -0.01 5.98 3.41 -0.28 -3.93 113.62 115.12 2jww n SER 71 Ca -0.46 -0.66 0.22 0.00 -0.26 0.00 0.00 58.87 57.71 2jww n SER 71 Cb 0.95 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.44 2jww n SER 71 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jww h SER 72 N 0.00 0.00 0.37 4.04 4.64 0.51 1.49 113.55 124.60 2jww h SER 72 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2jww h SER 72 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2jww h SER 72 CO 0.00 0.00 -1.83 0.47 -0.87 0.00 0.00 176.83 174.60 2jww n ASP 73 N -3.31 0.51 -0.91 4.97 9.92 -1.25 -4.96 116.55 121.52 2jww n ASP 73 Ca 0.13 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 2jww n ASP 73 Cb 1.07 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 42.11 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jww n ALA 74 N -2.52 0.00 -1.43 2.24 0.00 0.51 -4.67 120.51 114.64 2jww n ALA 74 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jww n ALA 74 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 2jww n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jww n ARG 75 N 0.00 0.00 -1.69 0.00 1.74 -1.26 -4.96 116.66 110.49 2jww n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jww n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2jww n ARG 75 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jww n ASP 76 N -0.85 0.00 -4.72 0.55 5.68 -1.26 -4.82 116.55 111.12 2jww n ASP 76 Ca 0.00 -0.94 -0.35 0.00 -0.50 0.00 0.00 54.79 52.99 2jww n ASP 76 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 2jww n ASP 76 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 2jww s LEU 77 N 0.00 3.90 0.00 -2.12 0.05 -1.26 -4.69 118.68 114.55 2jww s LEU 77 Ca 0.00 0.22 0.02 0.00 0.05 0.00 0.00 54.13 54.42 2jww s LEU 77 Cb 0.00 -1.94 0.02 0.00 -2.05 0.00 0.00 46.19 42.22 2jww s LEU 77 CO 0.00 0.32 0.20 -1.20 -0.55 0.00 0.00 176.35 175.12 2jww n SER 78 N 2.57 1.38 -0.17 1.48 7.64 -1.26 -4.75 113.62 120.50 2jww n SER 78 Ca -0.18 -1.67 -0.03 0.00 1.01 0.00 0.00 58.87 58.00 2jww n SER 78 Cb 0.54 -0.06 0.04 0.00 -1.01 0.00 0.00 64.21 63.71 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 79 N 0.61 0.27 -0.23 -0.43 0.00 -1.98 0.92 119.26 118.42 2jww h ALA 79 Ca -0.12 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jww h ALA 79 Cb 0.47 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2jww h ALA 79 CO 0.19 -0.49 -0.27 0.87 0.00 0.00 0.00 179.25 179.55 2jww h LYS 80 N -0.05 -0.28 0.00 0.00 1.57 -1.91 0.62 116.57 116.52 2jww h LYS 80 Ca 0.25 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2jww h LYS 80 Cb 0.44 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2jww h LYS 80 CO -0.57 -0.19 -0.35 0.93 -0.57 0.00 0.00 179.45 178.70 2jww h GLU 81 N -0.29 0.00 -0.02 3.15 4.39 -1.50 0.99 114.58 121.30 2jww h GLU 81 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2jww h GLU 81 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2jww h GLU 81 CO -0.39 0.35 0.01 1.15 -1.16 0.00 0.00 179.01 178.96 2jww h THR 82 N 0.00 1.11 0.00 1.13 2.02 0.23 1.60 112.91 118.99 2jww h THR 82 Ca -0.00 -0.31 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 2jww h THR 82 Cb 0.88 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2jww h THR 82 CO 0.05 0.08 -0.75 0.11 0.37 0.00 0.00 175.52 175.38 2jww h LYS 83 N -0.10 0.00 0.00 6.66 1.57 -0.79 -2.23 116.57 121.68 2jww h LYS 83 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2jww h LYS 83 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2jww h LYS 83 CO -0.00 0.75 -0.59 1.15 -0.57 0.00 0.00 179.45 180.19 2jww h THR 84 N 0.00 0.23 -0.01 -0.16 2.02 0.13 -3.33 112.91 111.79 2jww h THR 84 Ca -0.01 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 2jww h THR 84 Cb 1.41 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2jww h THR 84 CO 0.10 0.08 -0.10 0.25 0.37 0.00 0.00 175.52 176.22 2jww h LEU 85 N -1.00 0.11 0.09 2.58 5.85 0.21 -2.22 115.31 120.93 2jww h LEU 85 Ca -0.07 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 57.93 2jww h LEU 85 Cb 0.63 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2jww h LEU 85 CO -0.04 0.81 -0.04 0.24 -0.34 0.00 0.00 178.44 179.06 2jww h MET 86 N -0.59 -0.11 0.00 1.25 0.00 -1.20 -2.34 114.93 111.94 2jww h MET 86 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 59.70 59.67 2jww h MET 86 Cb 0.81 0.03 -0.00 0.00 0.00 0.00 0.00 31.60 32.43 2jww h MET 86 CO 0.02 0.41 -0.11 0.00 0.00 0.00 0.00 176.91 177.23 2jww h ALA 87 N -0.24 1.33 0.22 6.32 0.00 -1.51 0.30 119.26 125.68 2jww h ALA 87 Ca -0.01 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 2jww h ALA 87 Cb 0.58 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jww h ALA 87 CO 0.02 0.14 -1.62 0.00 0.00 0.00 0.00 179.25 177.79 2jww h ALA 88 N 1.89 0.01 -0.39 0.00 0.00 -1.47 -3.22 119.26 116.07 2jww h ALA 88 Ca -0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 54.91 53.76 2jww h ALA 88 Cb 0.30 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jww h ALA 88 CO 0.01 0.87 -0.33 0.78 0.00 0.00 0.00 179.25 180.59 2jww h GLY 89 N 0.46 0.94 -3.58 0.00 0.00 -1.00 -2.96 103.07 96.94 2jww h GLY 89 Ca -0.30 -0.91 -0.41 0.00 0.00 0.00 0.00 47.33 45.72 2jww h GLY 89 CO 0.23 0.82 0.52 2.09 0.00 0.00 0.00 176.54 180.20 2jww n ASP 90 N -4.07 6.57 -0.31 0.19 5.68 0.10 -3.33 116.55 121.37 2jww n ASP 90 Ca -0.01 -3.23 0.25 0.00 -0.50 0.00 0.00 54.79 51.30 2jww n ASP 90 Cb 0.51 -1.02 0.39 0.00 -1.14 0.00 0.00 41.12 39.86 2jww n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2jww n LYS 91 N -0.00 0.00 0.31 0.11 -0.00 -1.12 0.16 118.16 117.63 2jww n LYS 91 Ca 0.38 0.57 0.19 0.00 -0.00 0.00 0.00 58.31 59.45 2jww n LYS 91 Cb 0.64 -1.35 0.98 0.00 -0.00 0.00 0.00 35.03 35.29 2jww n LYS 91 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2jww h ASP 92 N 0.00 0.00 0.00 -5.58 1.82 -1.87 -3.45 116.42 107.34 2jww h ASP 92 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2jww h ASP 92 Cb 1.92 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.93 2jww h ASP 92 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2jww n GLY 93 N -1.20 0.77 0.00 -0.78 0.00 0.42 -4.93 105.19 99.47 2jww n GLY 93 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2jww n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jww n ASP 94 N 0.02 0.00 -1.65 1.61 8.00 -1.24 -4.85 116.55 118.44 2jww n ASP 94 Ca 0.00 0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 2jww n ASP 94 Cb 0.00 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jww n GLY 95 N 0.32 0.72 3.06 0.44 0.00 -1.26 -4.97 105.19 103.49 2jww n GLY 95 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2jww n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jww s LYS 96 N -4.15 0.21 -0.34 1.61 1.02 -1.26 -3.31 119.74 113.53 2jww s LYS 96 Ca 0.00 0.27 -0.08 0.00 0.02 0.00 0.00 55.97 56.18 2jww s LYS 96 Cb 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2jww s LYS 96 CO 0.00 -0.04 0.14 0.42 -0.92 0.00 0.00 175.35 174.95 2jww s ILE 97 N 0.17 4.21 0.42 2.17 1.01 -0.96 -4.54 121.20 123.69 2jww s ILE 97 Ca -0.01 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.89 2jww s ILE 97 Cb -0.02 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2jww s ILE 97 CO -0.00 -0.10 0.27 -0.83 0.00 0.00 0.00 174.94 174.28 2jww s GLY 98 N 1.51 2.26 0.55 6.18 0.00 -1.26 -1.99 107.32 114.57 2jww s GLY 98 Ca 0.02 -1.99 0.38 0.00 0.00 0.00 0.00 44.72 43.13 2jww s GLY 98 CO 0.04 -1.83 1.75 -0.24 0.00 0.00 0.00 173.10 172.83 2jww h VAL 99 N 1.24 0.32 0.07 1.40 3.04 -1.59 0.95 116.25 121.68 2jww h VAL 99 Ca -0.42 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2jww h VAL 99 Cb 1.26 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2jww h VAL 99 CO 0.64 0.00 -0.04 1.05 -1.01 0.00 0.00 177.57 178.22 2jww h GLU 100 N 0.00 -0.10 0.00 4.17 4.11 -1.94 -3.31 114.58 117.51 2jww h GLU 100 Ca 0.60 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.99 2jww h GLU 100 Cb 2.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.74 2jww h GLU 100 CO -0.01 0.44 -0.20 0.93 0.07 0.00 0.00 179.01 180.25 2jww h GLU 101 N -0.73 0.00 -0.82 1.06 3.07 -1.31 -3.08 114.58 112.76 2jww h GLU 101 Ca -0.01 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.07 2jww h GLU 101 Cb 0.58 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 2jww h GLU 101 CO 0.02 0.20 0.58 0.35 -1.40 0.00 0.00 179.01 178.75 2jww h PHE 102 N 0.00 0.18 -0.04 4.33 3.57 -1.00 1.40 116.94 125.38 2jww h PHE 102 Ca -0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2jww h PHE 102 Cb 0.80 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2jww h PHE 102 CO 0.00 0.05 -0.55 0.66 -2.23 0.00 0.00 178.31 176.24 2jww h SER 103 N 0.13 0.12 -0.07 0.41 4.64 -1.70 -2.61 113.55 114.47 2jww h SER 103 Ca 0.40 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 2jww h SER 103 Cb 1.39 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2jww h SER 103 CO -0.06 0.64 -0.04 0.74 -0.87 0.00 0.00 176.83 177.25 2jww h THR 104 N 0.08 1.33 -0.86 2.95 2.02 0.17 -3.14 112.91 115.45 2jww h THR 104 Ca -0.00 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.13 2jww h THR 104 Cb 1.00 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 2jww h THR 104 CO 0.08 0.29 0.57 0.17 0.37 0.00 0.00 175.52 177.00 2jww h LEU 105 N -0.23 0.97 -2.00 2.58 -0.00 -1.03 0.09 115.31 115.69 2jww h LEU 105 Ca 0.02 -0.02 0.16 0.00 -0.00 0.00 0.00 57.88 58.04 2jww h LEU 105 Cb 0.49 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 2jww h LEU 105 CO 0.01 0.69 0.42 0.58 -0.00 0.00 0.00 178.44 180.15 2jww h VAL 106 N 1.14 0.68 0.17 0.15 2.07 -1.42 0.20 116.25 119.24 2jww h VAL 106 Ca 0.33 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.55 2jww h VAL 106 Cb -0.09 0.70 0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2jww h VAL 106 CO -0.08 0.00 -1.33 0.00 0.02 0.00 0.00 177.57 176.18 2jww h ALA 107 N 1.69 0.02 -0.12 1.67 0.00 -0.99 -3.38 119.26 118.16 2jww h ALA 107 Ca 0.27 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jww h ALA 107 Cb 1.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jww h ALA 107 CO -0.00 0.89 0.00 0.39 0.00 0.00 0.00 179.25 180.53 2jww n GLU 108 N -3.59 0.00 0.00 0.00 4.71 0.62 -5.14 120.64 117.24 2jww n GLU 108 Ca -0.12 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 2jww n GLU 108 Cb 1.05 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 30.00 2jww n GLU 108 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67