#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 3.46 0.12 1.43 0.00 -1.26 -4.26 117.12 116.61 2jww n MET 2 Ca 0.00 -2.73 0.12 0.00 0.00 0.00 0.00 57.70 55.10 2jww n MET 2 Cb 0.00 -2.12 0.26 0.00 0.00 0.00 0.00 33.22 31.36 2jww n MET 2 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2jww h THR 3 N 2.41 0.00 0.06 1.12 2.02 -1.97 -2.44 112.91 114.11 2jww h THR 3 Ca 0.24 -0.64 -0.35 0.00 0.77 0.00 0.00 66.41 66.43 2jww h THR 3 Cb 2.17 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 70.03 2jww h THR 3 CO 0.67 0.00 -2.01 0.47 0.37 0.00 0.00 175.52 175.02 2jww n ASP 4 N -2.44 1.55 -0.06 4.18 8.00 -1.26 -4.09 116.55 122.42 2jww n ASP 4 Ca 0.04 0.21 -0.06 0.00 0.71 0.00 0.00 54.79 55.69 2jww n ASP 4 Cb 0.46 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.11 2jww n ASP 4 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2jww h LEU 5 N 0.03 0.00-10.14 0.64 6.46 -1.84 -3.47 115.31 107.00 2jww h LEU 5 Ca -0.41 -0.33 -0.48 0.00 -0.12 0.00 0.00 57.88 56.53 2jww h LEU 5 Cb 2.03 0.00 0.05 0.00 -0.73 0.00 0.00 40.66 42.01 2jww h LEU 5 CO 0.06 0.74 0.39 -0.76 -0.62 0.00 0.00 178.44 178.25 2jww s LEU 6 N -8.37 3.66 -0.36 2.25 1.43 -0.92 -4.88 118.68 111.50 2jww s LEU 6 Ca -0.09 1.89 -0.36 0.00 -1.03 0.00 0.00 54.13 54.54 2jww s LEU 6 Cb -0.00 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.55 2jww s LEU 6 CO 0.27 -1.02 2.17 -1.54 0.23 0.00 0.00 176.35 176.46 2jww n SER 7 N -1.54 2.03 -0.25 2.29 3.41 -1.26 -4.70 113.62 113.60 2jww n SER 7 Ca 0.09 0.45 -0.02 0.00 -0.26 0.00 0.00 58.87 59.13 2jww n SER 7 Cb 0.53 -1.23 0.09 0.00 -0.26 0.00 0.00 64.21 63.34 2jww n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jww h ALA 8 N 11.96 0.94 -0.18 7.33 0.00 -1.90 -2.08 119.26 135.34 2jww h ALA 8 Ca -0.26 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jww h ALA 8 Cb 1.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jww h ALA 8 CO 1.02 0.15 -0.08 1.05 0.00 0.00 0.00 179.25 181.40 2jww h GLU 9 N 0.80 0.37 -0.26 0.00 4.11 -1.92 -2.04 114.58 115.64 2jww h GLU 9 Ca 0.30 -0.16 0.06 0.00 0.07 0.00 0.00 59.36 59.64 2jww h GLU 9 Cb 0.11 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 2jww h GLU 9 CO -0.15 0.66 -0.27 -0.44 0.07 0.00 0.00 179.01 178.88 2jww h ASP 10 N 0.05 -0.88 0.38 3.06 5.19 -1.70 1.47 116.42 123.99 2jww h ASP 10 Ca 0.04 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 2jww h ASP 10 Cb 0.55 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2jww h ASP 10 CO 0.02 -0.30 -0.18 0.40 -3.12 0.00 0.00 179.24 176.06 2jww h ILE 11 N -0.28 0.63 -0.29 0.35 2.04 -0.67 1.26 117.51 120.55 2jww h ILE 11 Ca 0.14 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jww h ILE 11 Cb 0.50 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jww h ILE 11 CO -0.42 0.05 0.19 0.11 0.00 0.00 0.00 178.15 178.08 2jww h LYS 12 N -0.65 0.39 0.21 2.37 1.57 -1.11 0.86 116.57 120.22 2jww h LYS 12 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2jww h LYS 12 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jww h LYS 12 CO 0.09 0.27 -0.10 0.87 -0.57 0.00 0.00 179.45 180.01 2jww h LYS 13 N 0.39 -0.28 -0.50 3.15 1.57 0.21 -2.48 116.57 118.63 2jww h LYS 13 Ca 0.11 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2jww h LYS 13 Cb -0.02 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2jww h LYS 13 CO -0.02 -0.05 0.25 0.00 -0.57 0.00 0.00 179.45 179.05 2jww h ALA 14 N 0.28 0.64 -0.22 3.86 0.00 0.18 1.39 119.26 125.39 2jww h ALA 14 Ca -0.03 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jww h ALA 14 Cb 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2jww h ALA 14 CO 0.05 0.19 -0.13 0.82 0.00 0.00 0.00 179.25 180.18 2jww h ILE 15 N 0.66 0.62 -0.01 0.00 1.08 0.79 -2.83 117.51 117.81 2jww h ILE 15 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2jww h ILE 15 Cb 0.10 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2jww h ILE 15 CO -0.02 0.00 -0.38 0.61 -0.69 0.00 0.00 178.15 177.67 2jww n GLY 16 N -1.29 -0.09 0.14 5.37 0.00 -0.94 -4.30 105.19 104.08 2jww n GLY 16 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2jww n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jww h ALA 17 N 3.89 -0.24 -2.78 4.61 0.00 0.21 -3.44 119.26 121.52 2jww h ALA 17 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 2jww h ALA 17 Cb 0.69 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.21 2jww h ALA 17 CO 0.00 -0.48 -0.64 -0.59 0.00 0.00 0.00 179.25 177.54 2jww s PHE 18 N -4.88 -0.19 -0.01 0.00 -0.71 -1.23 -5.03 117.98 105.92 2jww s PHE 18 Ca -0.15 0.30 -0.23 0.00 -1.04 0.00 0.00 56.93 55.81 2jww s PHE 18 Cb 0.03 -0.36 -0.20 0.00 -1.21 0.00 0.00 43.02 41.27 2jww s PHE 18 CO 0.60 -0.48 1.16 1.15 -1.34 0.00 0.00 175.22 176.32 2jww h THR 19 N 6.34 1.45 -1.17 -4.49 2.02 -1.85 -3.21 112.91 112.00 2jww h THR 19 Ca -0.15 -1.67 0.34 0.00 0.77 0.00 0.00 66.41 65.70 2jww h THR 19 Cb 1.14 2.40 -0.09 0.00 -1.74 0.00 0.00 68.15 69.85 2jww h THR 19 CO 0.23 0.47 0.77 0.00 0.37 0.00 0.00 175.52 177.37 2jww h ALA 20 N 0.41 2.58 0.34 6.16 0.00 -1.95 1.37 119.26 128.16 2jww h ALA 20 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jww h ALA 20 Cb 0.87 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jww h ALA 20 CO 0.05 -1.04 -0.16 0.00 0.00 0.00 0.00 179.25 178.09 2jww h ALA 21 N 1.56 -0.87 -0.10 0.00 0.00 -1.85 1.26 119.26 119.25 2jww h ALA 21 Ca 0.66 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.50 2jww h ALA 21 Cb 2.01 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.97 2jww h ALA 21 CO -0.27 -0.84 0.08 -0.44 0.00 0.00 0.00 179.25 177.78 2jww h ASP 22 N -0.56 0.00 0.02 0.00 5.19 -1.39 1.36 116.42 121.04 2jww h ASP 22 Ca -0.05 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.16 2jww h ASP 22 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2jww h ASP 22 CO 0.08 0.00 -0.74 -1.28 -3.12 0.00 0.00 179.24 174.18 2jww h SER 23 N 0.00 0.74 0.00 6.45 0.87 0.19 -3.40 113.55 118.40 2jww h SER 23 Ca 0.05 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2jww h SER 23 Cb 0.22 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jww h SER 23 CO -0.00 1.25 -0.36 0.33 -0.53 0.00 0.00 176.83 177.52 2jww n PHE 24 N -3.90 0.22 -3.68 2.24 7.35 0.43 -4.80 117.46 115.33 2jww n PHE 24 Ca -0.06 0.10 -0.17 0.00 -0.76 0.00 0.00 57.45 56.56 2jww n PHE 24 Cb 0.72 -0.37 -0.16 0.00 0.35 0.00 0.00 39.48 40.02 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jww s ASP 25 N -4.73 0.73 0.00 -2.13 2.15 0.45 -3.90 116.67 109.24 2jww s ASP 25 Ca -0.10 0.24 0.15 0.00 0.43 0.00 0.00 52.55 53.27 2jww s ASP 25 Cb 0.01 0.12 0.68 0.00 -0.30 0.00 0.00 42.92 43.44 2jww s ASP 25 CO 0.15 -0.23 1.46 1.41 -0.17 0.00 0.00 175.17 177.80 2jww n HIS 26 N 5.13 0.00 -0.13 -5.34 8.25 -1.24 -3.65 115.22 118.24 2jww n HIS 26 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 2jww n HIS 26 Cb 0.50 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2jww h LYS 27 N 0.00 -0.35 -0.13 -0.41 6.56 -1.95 1.49 116.57 121.79 2jww h LYS 27 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2jww h LYS 27 Cb 0.22 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2jww h LYS 27 CO 0.00 -0.23 0.08 0.87 -2.06 0.00 0.00 179.45 178.11 2jww h LYS 28 N -0.36 0.17 -0.96 3.15 1.79 -1.93 -2.09 116.57 116.35 2jww h LYS 28 Ca 0.07 -0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.67 2jww h LYS 28 Cb 0.54 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.07 2jww h LYS 28 CO -0.56 0.12 0.61 0.35 -1.08 0.00 0.00 179.45 178.89 2jww h PHE 29 N 0.16 0.99 -0.76 -1.35 3.57 -1.46 0.25 116.94 118.35 2jww h PHE 29 Ca 0.05 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.77 2jww h PHE 29 Cb -0.01 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 2jww h PHE 29 CO -0.07 0.35 0.53 0.35 -2.23 0.00 0.00 178.31 177.24 2jww h PHE 30 N 0.82 0.20 0.15 0.41 3.04 0.28 1.27 116.94 123.12 2jww h PHE 30 Ca 0.49 0.01 -0.28 0.00 3.98 0.00 0.00 57.97 62.17 2jww h PHE 30 Cb 0.67 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 39.13 2jww h PHE 30 CO -0.00 0.06 -1.38 1.96 -2.02 0.00 0.00 178.31 176.93 2jww h GLN 31 N 0.16 0.32 -0.12 1.11 4.20 -0.47 -2.59 115.11 117.72 2jww h GLN 31 Ca 0.37 -0.55 -0.17 0.00 0.06 0.00 0.00 58.65 58.37 2jww h GLN 31 Cb 1.24 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 2jww h GLN 31 CO -0.06 1.26 -0.64 0.52 -0.67 0.00 0.00 178.83 179.24 2jww h MET 32 N -0.18 0.44 0.00 1.46 2.86 -0.22 -3.05 114.93 116.24 2jww h MET 32 Ca -0.28 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.03 2jww h MET 32 Cb 1.85 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.56 2jww h MET 32 CO 0.13 0.93 -0.10 -0.24 1.06 0.00 0.00 176.91 178.69 2jww h VAL 33 N 0.32 0.41 0.00 -2.22 3.04 0.14 -3.38 116.25 114.57 2jww h VAL 33 Ca -0.01 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2jww h VAL 33 Cb 1.19 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2jww h VAL 33 CO 0.11 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 2jww n GLY 34 N -0.55 0.81 0.27 3.17 0.00 -1.15 -1.83 105.19 105.90 2jww n GLY 34 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 0.50 -0.16 0.99 3.38 -1.71 -1.08 115.31 117.23 2jww h LEU 35 Ca 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2jww h LEU 35 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jww h LEU 35 CO 0.00 0.60 -0.18 0.11 0.09 0.00 0.00 178.44 179.06 2jww h LYS 36 N 0.50 0.00 -0.15 1.13 1.57 -1.85 -3.32 116.57 114.46 2jww h LYS 36 Ca 0.10 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2jww h LYS 36 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 2jww h LYS 36 CO 0.02 0.18 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.48 2jww h LYS 37 N 0.00 -0.42 -6.86 3.15 3.11 -1.51 -3.42 116.57 110.62 2jww h LYS 37 Ca -0.00 0.03 -0.45 0.00 -2.81 0.00 0.00 60.65 57.41 2jww h LYS 37 Cb 1.08 0.10 0.04 0.00 -1.00 0.00 0.00 32.23 32.45 2jww h LYS 37 CO 0.02 -0.28 -0.00 0.15 -2.81 0.00 0.00 179.45 176.53 2jww s LYS 38 N -5.94 2.81 0.75 1.90 -0.14 -1.23 -5.07 119.74 112.82 2jww s LYS 38 Ca -0.15 -0.48 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2jww s LYS 38 Cb 0.10 -2.46 0.05 0.00 -1.68 0.00 0.00 37.83 33.84 2jww s LYS 38 CO 0.65 -0.56 1.11 -1.54 -0.76 0.00 0.00 175.35 174.25 2jww s SER 39 N -4.32 4.53 0.59 2.83 1.04 -1.26 -4.79 113.70 112.32 2jww s SER 39 Ca 0.53 1.93 0.29 0.00 0.48 0.00 0.00 55.95 59.18 2jww s SER 39 Cb -0.10 -2.54 1.51 0.00 0.10 0.00 0.00 66.02 64.99 2jww s SER 39 CO 0.40 -2.02 1.93 0.00 0.98 0.00 0.00 173.24 174.53 2jww h ALA 40 N -0.82 2.08 -0.44 5.32 0.00 -1.89 0.99 119.26 124.50 2jww h ALA 40 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2jww h ALA 40 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jww h ALA 40 CO 0.51 -0.63 -0.13 -0.44 0.00 0.00 0.00 179.25 178.56 2jww h ASP 41 N 0.00 0.87 0.24 0.00 5.19 -1.96 -1.47 116.42 119.29 2jww h ASP 41 Ca 0.18 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2jww h ASP 41 Cb 1.04 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.31 2jww h ASP 41 CO -0.00 1.04 -0.11 0.44 -3.12 0.00 0.00 179.24 177.49 2jww h ASP 42 N 0.69 -0.27 -0.98 6.45 5.19 -1.15 -3.08 116.42 123.26 2jww h ASP 42 Ca 0.11 -0.20 0.11 0.00 -0.62 0.00 0.00 57.03 56.43 2jww h ASP 42 Cb 0.68 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.18 2jww h ASP 42 CO 0.05 0.07 0.62 -0.37 -3.12 0.00 0.00 179.24 176.49 2jww h VAL 43 N -0.64 0.93 -0.95 -1.35 -1.51 -1.52 -0.59 116.25 110.62 2jww h VAL 43 Ca -0.03 -0.33 0.26 0.00 -1.23 0.00 0.00 66.70 65.36 2jww h VAL 43 Cb 0.46 -0.12 -0.05 0.00 -2.13 0.00 0.00 31.29 29.44 2jww h VAL 43 CO 0.05 0.18 0.67 0.11 -1.23 0.00 0.00 177.57 177.35 2jww h LYS 44 N 0.97 0.12 -0.02 5.19 1.57 -1.17 -0.70 116.57 122.53 2jww h LYS 44 Ca 0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2jww h LYS 44 Cb 0.47 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2jww h LYS 44 CO -0.24 0.08 0.01 0.87 -0.57 0.00 0.00 179.45 179.60 2jww h LYS 45 N 0.12 0.02 -0.24 3.15 1.57 -1.12 -0.37 116.57 119.70 2jww h LYS 45 Ca 0.47 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.32 2jww h LYS 45 Cb 1.66 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 2jww h LYS 45 CO -0.07 0.01 0.22 -0.24 -0.57 0.00 0.00 179.45 178.80 2jww h VAL 46 N 0.02 0.61 -0.47 0.50 3.04 -1.25 -0.95 116.25 117.76 2jww h VAL 46 Ca 0.01 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.78 2jww h VAL 46 Cb 0.01 0.84 -0.07 0.00 -2.01 0.00 0.00 31.29 30.05 2jww h VAL 46 CO -0.01 0.00 0.07 0.15 -1.01 0.00 0.00 177.57 176.77 2jww h PHE 47 N 0.00 0.11 -0.16 3.17 3.57 -0.98 0.11 116.94 122.76 2jww h PHE 47 Ca 0.12 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.47 2jww h PHE 47 Cb 0.55 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 2jww h PHE 47 CO 0.00 -0.02 -0.62 1.25 -2.23 0.00 0.00 178.31 176.69 2jww h HIS 48 N 0.20 0.72 -0.45 0.41 2.76 -1.17 1.83 115.15 119.44 2jww h HIS 48 Ca 0.23 -0.28 0.09 0.00 -2.20 0.00 0.00 60.37 58.22 2jww h HIS 48 Cb 0.32 -0.13 -0.08 0.00 1.55 0.00 0.00 27.41 29.07 2jww h HIS 48 CO -0.24 1.03 -0.06 0.82 -1.30 0.00 0.00 177.93 178.18 2jww h ILE 49 N 0.42 0.59 0.07 6.26 1.08 -0.78 -2.84 117.51 122.31 2jww h ILE 49 Ca -0.01 -0.02 -0.32 0.00 -0.39 0.00 0.00 64.86 64.12 2jww h ILE 49 Cb 1.18 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.44 2jww h ILE 49 CO 0.12 0.01 -1.79 0.17 -0.69 0.00 0.00 178.15 175.96 2jww h LEU 50 N 0.04 0.24 -6.76 1.44 8.10 -0.95 -3.40 115.31 114.02 2jww h LEU 50 Ca 0.22 -0.49 -0.79 0.00 0.11 0.00 0.00 57.88 56.94 2jww h LEU 50 Cb 0.34 -0.08 -0.29 0.00 -0.44 0.00 0.00 40.66 40.19 2jww h LEU 50 CO -0.43 1.43 0.69 -0.90 -4.11 0.00 0.00 178.44 175.12 2jww n ASP 51 N -3.29 6.32 -0.01 0.17 5.75 0.62 -4.77 116.55 121.34 2jww n ASP 51 Ca -0.23 -3.46 -0.16 0.00 -0.01 0.00 0.00 54.79 50.93 2jww n ASP 51 Cb 1.05 -1.20 -0.11 0.00 -1.03 0.00 0.00 41.12 39.83 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2jww h LYS 52 N 5.15 0.36 -0.17 0.11 5.09 -1.74 -3.36 116.57 122.01 2jww h LYS 52 Ca 0.24 -0.36 -0.03 0.00 0.09 0.00 0.00 60.65 60.59 2jww h LYS 52 Cb 0.58 0.09 -0.02 0.00 0.10 0.00 0.00 32.23 32.99 2jww h LYS 52 CO 1.28 1.03 -0.05 -3.47 -2.09 0.00 0.00 179.45 176.15 2jww n ASP 53 N -4.31 3.00 -0.12 7.07 2.03 -1.26 -4.69 116.55 118.26 2jww n ASP 53 Ca -0.10 -3.23 0.27 0.00 0.52 0.00 0.00 54.79 52.25 2jww n ASP 53 Cb 0.60 -0.52 0.71 0.00 -0.72 0.00 0.00 41.12 41.19 2jww n ASP 53 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2jww h LYS 54 N 1.02 0.00 -1.49 -0.67 -0.00 -1.83 -3.45 116.57 110.15 2jww h LYS 54 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.64 2jww h LYS 54 Cb 1.31 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.55 2jww h LYS 54 CO 0.16 0.00 -0.09 0.43 -0.00 0.00 0.00 179.45 179.96 2jww n SER 55 N -3.92 -2.47 0.00 7.07 7.64 -1.26 -3.54 113.62 117.14 2jww n SER 55 Ca 0.17 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2jww n SER 55 Cb 0.98 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jww n GLY 56 N -0.73 2.12 3.59 0.23 0.00 -1.26 -4.98 105.19 104.16 2jww n GLY 56 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jww n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jww s PHE 57 N -2.33 -0.57 -0.05 1.61 0.08 -1.23 -4.55 117.98 110.95 2jww s PHE 57 Ca 0.00 1.19 -0.02 0.00 0.12 0.00 0.00 56.93 58.21 2jww s PHE 57 Cb 0.00 0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 42.79 2jww s PHE 57 CO 0.00 -0.39 0.09 0.42 -0.10 0.00 0.00 175.22 175.24 2jww s ILE 58 N -0.44 4.92 -0.29 0.64 1.01 -1.06 -4.64 121.20 121.32 2jww s ILE 58 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2jww s ILE 58 Cb -0.03 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2jww s ILE 58 CO 0.02 0.46 0.19 -1.61 0.00 0.00 0.00 174.94 174.00 2jww s GLU 59 N -1.43 3.80 0.53 2.79 8.01 -1.26 -3.00 118.70 128.14 2jww s GLU 59 Ca 0.20 -0.43 0.47 0.00 0.01 0.00 0.00 54.97 55.22 2jww s GLU 59 Cb -0.12 -3.67 1.67 0.00 -4.31 0.00 0.00 34.13 27.70 2jww s GLU 59 CO 0.10 -0.25 1.53 -0.85 0.01 0.00 0.00 175.26 175.79 2jww n GLU 60 N 5.06 -0.00 0.09 1.61 0.28 -1.25 0.19 120.64 126.61 2jww n GLU 60 Ca -0.14 1.08 -0.13 0.00 -0.16 0.00 0.00 57.16 57.81 2jww n GLU 60 Cb 0.51 -2.45 -0.08 0.00 1.43 0.00 0.00 31.44 30.86 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 -0.16 0.66 -1.84 5.19 -1.92 -3.07 116.42 115.29 2jww h ASP 61 Ca 0.92 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 57.20 2jww h ASP 61 Cb 3.59 0.04 0.00 0.00 0.18 0.00 0.00 39.33 43.14 2jww h ASP 61 CO -0.07 0.03 -0.95 -1.84 -3.12 0.00 0.00 179.24 173.28 2jww n GLU 62 N -5.10 0.38 -0.35 3.56 0.28 0.15 -4.06 120.64 115.50 2jww n GLU 62 Ca -0.09 0.04 0.10 0.00 -0.16 0.00 0.00 57.16 57.06 2jww n GLU 62 Cb 0.15 -1.67 0.28 0.00 1.43 0.00 0.00 31.44 31.64 2jww n GLU 62 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2jww h LEU 63 N 0.00 0.81 -2.00 -1.84 5.85 0.21 0.69 115.31 119.04 2jww h LEU 63 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jww h LEU 63 Cb 0.81 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2jww h LEU 63 CO 0.00 0.34 0.00 1.23 -0.34 0.00 0.00 178.44 179.67 2jww h GLY 64 N 0.83 0.00 0.00 3.75 0.00 -1.61 0.18 103.07 106.23 2jww h GLY 64 Ca 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.80 2jww h GLY 64 CO -0.34 0.00 -0.63 1.76 0.00 0.00 0.00 176.54 177.32 2jww h SER 65 N 0.00 0.00 0.47 0.19 0.02 0.14 -3.35 113.55 111.02 2jww h SER 65 Ca 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2jww h SER 65 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jww h SER 65 CO 0.00 0.98 0.00 -0.29 -1.14 0.00 0.00 176.83 176.38 2jww h ILE 66 N -1.00 0.00 -0.00 3.27 6.09 -1.07 -2.52 117.51 122.28 2jww h ILE 66 Ca -0.11 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2jww h ILE 66 Cb 0.74 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 38.93 2jww h ILE 66 CO -0.07 0.00 0.01 -0.07 -3.07 0.00 0.00 178.15 174.95 2jww h LEU 67 N 0.00 0.00 -1.61 2.19 -0.00 -0.80 -2.04 115.31 113.05 2jww h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jww h LEU 67 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2jww h LEU 67 CO 0.00 0.00 0.41 0.11 -0.00 0.00 0.00 178.44 178.96 2jww h LYS 68 N 0.00 0.00 -0.74 1.13 1.57 -1.67 -1.67 116.57 115.19 2jww h LYS 68 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2jww h LYS 68 Cb 0.02 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.19 2jww h LYS 68 CO -0.00 0.00 -0.18 0.78 -0.57 0.00 0.00 179.45 179.48 2jww h GLY 69 N 0.00 0.53 0.13 3.86 0.00 -1.64 1.37 103.07 107.32 2jww h GLY 69 Ca 0.00 0.24 -0.37 0.00 0.00 0.00 0.00 47.33 47.20 2jww h GLY 69 CO 0.00 -0.28 -2.13 1.97 0.00 0.00 0.00 176.54 176.10 2jww n PHE 70 N -5.49 0.50 1.02 5.60 1.16 -0.68 -4.34 117.46 115.23 2jww n PHE 70 Ca 0.10 0.15 0.06 0.00 -1.87 0.00 0.00 57.45 55.89 2jww n PHE 70 Cb 0.38 -1.06 0.34 0.00 -1.61 0.00 0.00 39.48 37.53 2jww n PHE 70 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2jww n SER 71 N -3.86 0.00 -0.02 5.98 3.41 -0.91 -4.02 113.62 114.19 2jww n SER 71 Ca -0.43 -0.66 0.22 0.00 -0.26 0.00 0.00 58.87 57.74 2jww n SER 71 Cb 0.90 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.37 2jww n SER 71 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2jww h SER 72 N 0.00 0.00 0.00 4.04 0.87 0.16 1.11 113.55 119.73 2jww h SER 72 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2jww h SER 72 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2jww h SER 72 CO 0.00 0.00 -0.26 -0.67 -0.53 0.00 0.00 176.83 175.37 2jww n ASP 73 N -3.28 1.62 0.00 6.23 2.03 -1.26 -5.04 116.55 116.85 2jww n ASP 73 Ca 0.14 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.55 2jww n ASP 73 Cb 1.11 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jww n ALA 74 N -0.93 0.00 -2.50 -1.67 0.00 0.38 -4.23 120.51 111.57 2jww n ALA 74 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 2jww n ALA 74 Cb 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.10 2jww n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jww s ARG 75 N 4.64 2.54 -0.23 0.00 1.81 -1.26 -4.99 118.95 121.46 2jww s ARG 75 Ca 0.00 -1.44 -0.06 0.00 -1.72 0.00 0.00 55.73 52.51 2jww s ARG 75 Cb 0.00 -2.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.16 2jww s ARG 75 CO 0.00 0.08 0.03 0.16 -0.68 0.00 0.00 175.30 174.90 2jww s ASP 76 N -3.93 4.91 -0.97 0.23 1.47 -1.26 -4.66 116.67 112.46 2jww s ASP 76 Ca 0.40 -0.24 -0.18 0.00 1.18 0.00 0.00 52.55 53.71 2jww s ASP 76 Cb -0.04 -1.87 -0.28 0.00 -0.34 0.00 0.00 42.92 40.40 2jww s ASP 76 CO 0.25 -0.01 2.37 -0.11 0.68 0.00 0.00 175.17 178.35 2jww n LEU 77 N 4.72 -0.57 0.00 2.11 -0.00 -1.26 -4.85 117.00 117.16 2jww n LEU 77 Ca -0.17 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.51 2jww n LEU 77 Cb 0.51 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2jww n LEU 77 CO 0.31 -1.24 0.00 -1.20 -0.00 0.00 0.00 177.39 175.26 2jww n SER 78 N 8.25 0.00 -0.17 1.96 7.64 -1.26 -3.65 113.62 126.39 2jww n SER 78 Ca 0.65 -0.43 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 2jww n SER 78 Cb 0.13 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.51 0.17 -0.09 -0.43 0.00 -1.96 1.58 119.26 118.02 2jww h ALA 79 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jww h ALA 79 Cb 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2jww h ALA 79 CO 0.00 -0.55 -0.28 0.87 0.00 0.00 0.00 179.25 179.29 2jww h LYS 80 N -0.10 -0.36 0.00 0.00 1.57 -1.91 0.86 116.57 116.63 2jww h LYS 80 Ca 0.25 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2jww h LYS 80 Cb 0.48 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2jww h LYS 80 CO -0.60 -0.24 -0.27 0.93 -0.57 0.00 0.00 179.45 178.69 2jww h GLU 81 N -0.38 0.00 0.03 3.15 3.07 -1.48 1.19 114.58 120.17 2jww h GLU 81 Ca 0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2jww h GLU 81 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2jww h GLU 81 CO -0.31 0.27 -0.02 1.15 -1.40 0.00 0.00 179.01 178.71 2jww h THR 82 N 0.00 1.07 0.02 1.13 2.02 0.36 1.80 112.91 119.31 2jww h THR 82 Ca -0.00 -0.32 -0.21 0.00 0.77 0.00 0.00 66.41 66.65 2jww h THR 82 Cb 0.83 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2jww h THR 82 CO 0.04 0.08 -0.93 0.11 0.37 0.00 0.00 175.52 175.19 2jww h LYS 83 N -0.18 0.21 0.00 6.66 1.79 -0.74 -1.88 116.57 122.42 2jww h LYS 83 Ca -0.00 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.18 2jww h LYS 83 Cb 0.17 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2jww h LYS 83 CO 0.01 0.99 -0.53 1.15 -1.08 0.00 0.00 179.45 179.99 2jww h THR 84 N 0.11 0.27 0.00 -0.16 2.02 0.16 -3.36 112.91 111.94 2jww h THR 84 Ca -0.05 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2jww h THR 84 Cb 1.58 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2jww h THR 84 CO 0.14 0.09 -0.06 0.25 0.37 0.00 0.00 175.52 176.31 2jww h LEU 85 N -1.00 0.00 0.28 2.58 5.85 0.23 -3.00 115.31 120.24 2jww h LEU 85 Ca -0.07 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 2jww h LEU 85 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2jww h LEU 85 CO -0.04 0.89 -0.13 0.24 -0.34 0.00 0.00 178.44 179.05 2jww h MET 86 N -1.00 -0.36 -0.12 1.25 0.00 0.12 0.93 114.93 115.76 2jww h MET 86 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 59.70 59.74 2jww h MET 86 Cb 0.74 0.08 -0.00 0.00 0.00 0.00 0.00 31.60 32.42 2jww h MET 86 CO -0.01 -0.14 0.18 0.00 0.00 0.00 0.00 176.91 176.94 2jww h ALA 87 N 0.16 1.59 0.00 6.32 0.00 -1.49 -0.56 119.26 125.27 2jww h ALA 87 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jww h ALA 87 Cb 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jww h ALA 87 CO 0.06 -0.24 -0.45 0.00 0.00 0.00 0.00 179.25 178.63 2jww h ALA 88 N 1.76 0.03 -0.95 0.00 0.00 -1.15 -3.30 119.26 115.65 2jww h ALA 88 Ca 0.05 -0.46 0.25 0.00 0.00 0.00 0.00 54.91 54.75 2jww h ALA 88 Cb 0.41 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 2jww h ALA 88 CO -0.00 0.40 0.47 0.78 0.00 0.00 0.00 179.25 180.90 2jww h GLY 89 N -1.00 1.73 -3.63 0.00 0.00 0.11 0.83 103.07 101.12 2jww h GLY 89 Ca -0.03 -0.21 -0.43 0.00 0.00 0.00 0.00 47.33 46.65 2jww h GLY 89 CO -0.02 -0.32 0.56 2.09 0.00 0.00 0.00 176.54 178.85 2jww n ASP 90 N -5.02 6.76 -0.17 0.19 5.68 -0.24 -3.37 116.55 120.38 2jww n ASP 90 Ca 0.25 -3.28 0.18 0.00 -0.50 0.00 0.00 54.79 51.44 2jww n ASP 90 Cb 0.75 -1.02 0.28 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.06 0.01 0.27 0.11 -0.00 0.29 0.11 118.16 118.88 2jww n LYS 91 Ca 0.40 0.57 0.18 0.00 -0.00 0.00 0.00 58.31 59.46 2jww n LYS 91 Cb 0.62 -1.40 0.88 0.00 -0.00 0.00 0.00 35.03 35.13 2jww n LYS 91 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2jww h ASP 92 N 0.00 0.00 -0.87 -5.58 3.04 -1.86 -3.45 116.42 107.69 2jww h ASP 92 Ca 0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 2jww h ASP 92 Cb 1.71 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.00 2jww h ASP 92 CO -0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2jww n GLY 93 N -1.28 0.59 0.00 7.15 0.00 0.30 -5.02 105.19 106.92 2jww n GLY 93 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.21 0.42 0.00 1.61 8.00 -1.23 -5.00 116.55 120.14 2jww n ASP 94 Ca 0.00 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2jww n ASP 94 Cb 0.25 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 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 1.19 2.98 3.35 0.44 0.00 -1.26 -4.98 105.19 106.91 2jww n GLY 95 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.01 1.54 -0.23 1.61 1.02 -1.26 -3.91 119.74 118.50 2jww s LYS 96 Ca 0.00 -1.21 -0.08 0.00 0.02 0.00 0.00 55.97 54.70 2jww s LYS 96 Cb 0.00 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 2jww s LYS 96 CO 0.00 0.46 0.08 0.42 -0.92 0.00 0.00 175.35 175.39 2jww s ILE 97 N -0.95 4.60 0.29 2.17 1.01 -1.16 -4.61 121.20 122.55 2jww s ILE 97 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.78 2jww s ILE 97 Cb -0.10 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2jww s ILE 97 CO 0.04 0.37 0.00 -0.83 0.00 0.00 0.00 174.94 174.52 2jww s GLY 98 N 1.18 1.77 0.57 6.18 0.00 -1.26 -2.58 107.32 113.19 2jww s GLY 98 Ca 0.05 -1.74 0.33 0.00 0.00 0.00 0.00 44.72 43.36 2jww s GLY 98 CO 0.04 -1.77 1.73 -0.24 0.00 0.00 0.00 173.10 172.86 2jww h VAL 99 N 1.86 0.29 0.13 1.40 3.04 -1.98 0.38 116.25 121.38 2jww h VAL 99 Ca -0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 2jww h VAL 99 Cb 1.25 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2jww h VAL 99 CO 0.62 0.00 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.78 2jww h GLU 100 N 0.00 -0.17 0.00 4.17 4.39 -1.94 -3.28 114.58 117.76 2jww h GLU 100 Ca 0.45 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.12 2jww h GLU 100 Cb 2.09 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.77 2jww h GLU 100 CO -0.00 0.29 -0.19 0.93 -1.16 0.00 0.00 179.01 178.88 2jww h GLU 101 N -0.84 0.00 -0.28 2.33 3.07 -1.24 -2.95 114.58 114.68 2jww h GLU 101 Ca -0.02 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 2jww h GLU 101 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2jww h GLU 101 CO 0.03 0.19 0.47 0.35 -1.40 0.00 0.00 179.01 178.65 2jww h PHE 102 N 0.00 0.00 0.16 4.33 3.57 -0.41 1.12 116.94 125.70 2jww h PHE 102 Ca -0.00 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 2jww h PHE 102 Cb 0.58 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.35 2jww h PHE 102 CO 0.00 0.00 -1.27 0.66 -2.23 0.00 0.00 178.31 175.47 2jww h SER 103 N 0.00 0.84 0.21 0.41 4.64 -1.69 -3.28 113.55 114.69 2jww h SER 103 Ca 0.13 -0.85 -0.02 0.00 -0.47 0.00 0.00 61.79 60.57 2jww h SER 103 Cb 1.06 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2jww h SER 103 CO -0.00 1.62 -0.11 0.74 -0.87 0.00 0.00 176.83 178.20 2jww h THR 104 N 0.19 0.79 -0.46 2.95 2.02 0.11 -1.89 112.91 116.61 2jww h THR 104 Ca -0.20 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2jww h THR 104 Cb 1.95 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 2jww h THR 104 CO 0.24 0.11 0.23 -0.07 0.37 0.00 0.00 175.52 176.40 2jww h LEU 105 N 0.00 0.57 -1.47 2.58 3.38 -1.20 0.66 115.31 119.84 2jww h LEU 105 Ca -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jww h LEU 105 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jww h LEU 105 CO 0.01 0.49 -0.08 0.58 0.09 0.00 0.00 178.44 179.53 2jww h VAL 106 N 0.65 1.16 0.00 1.22 2.07 -1.49 -0.84 116.25 119.01 2jww h VAL 106 Ca 0.16 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 2jww h VAL 106 Cb 0.06 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2jww h VAL 106 CO -0.02 0.21 -0.47 0.00 0.02 0.00 0.00 177.57 177.30 2jww h ALA 107 N 1.68 0.70 -0.56 1.67 0.00 -1.06 -3.37 119.26 118.31 2jww h ALA 107 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jww h ALA 107 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jww h ALA 107 CO 0.01 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.25 2jww n GLU 108 N -3.22 0.00 0.00 0.00 -0.58 0.03 -5.12 120.64 111.75 2jww n GLU 108 Ca 0.02 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2jww n GLU 108 Cb 0.72 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 2jww n GLU 108 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08