#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 2.13 -0.05 -1.46 0.00 -1.26 -4.80 117.12 111.68 2jww n MET 2 Ca 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 57.70 53.75 2jww n MET 2 Cb 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 33.22 31.32 2jww n MET 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jww n THR 3 N -0.14 0.64 0.22 1.12 -2.24 -1.26 -3.39 114.28 109.23 2jww n THR 3 Ca 0.25 -0.47 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 2jww n THR 3 Cb 0.66 -0.44 0.43 0.00 -2.10 0.00 0.00 70.33 68.88 2jww n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jww h ASP 4 N 0.00 0.00 0.00 3.42 5.19 -2.00 -3.38 116.42 119.65 2jww h ASP 4 Ca -0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2jww h ASP 4 Cb 1.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.98 2jww h ASP 4 CO 0.01 0.21 -0.32 0.18 -3.12 0.00 0.00 179.24 176.21 2jww n LEU 5 N -3.32 0.85 -4.77 1.55 7.99 -1.26 -5.01 117.00 113.03 2jww n LEU 5 Ca 0.01 0.13 -0.39 0.00 -0.01 0.00 0.00 56.01 55.75 2jww n LEU 5 Cb 0.45 -0.45 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 2jww n LEU 5 CO 0.33 -0.48 0.68 -0.76 -1.51 0.00 0.00 177.39 175.65 2jww s LEU 6 N -6.33 4.48 -0.30 2.23 1.43 -1.22 -4.86 118.68 114.11 2jww s LEU 6 Ca -0.09 1.96 -0.33 0.00 -1.03 0.00 0.00 54.13 54.64 2jww s LEU 6 Cb 0.01 -3.81 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 2jww s LEU 6 CO 0.14 -0.02 2.19 -1.54 0.23 0.00 0.00 176.35 177.34 2jww n SER 7 N 0.97 2.48 -0.27 2.29 3.41 -1.26 -4.14 113.62 117.10 2jww n SER 7 Ca 0.00 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 58.97 2jww n SER 7 Cb 0.48 -1.35 0.11 0.00 -0.26 0.00 0.00 64.21 63.19 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 13.00 1.02 0.00 7.33 0.00 -1.82 -2.34 119.26 136.46 2jww h ALA 8 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jww h ALA 8 Cb 1.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2jww h ALA 8 CO 1.00 0.21 -0.00 1.49 0.00 0.00 0.00 179.25 181.95 2jww h GLU 9 N 0.88 -0.00 -0.20 0.00 4.81 -1.93 -2.66 114.58 115.47 2jww h GLU 9 Ca 0.32 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 2jww h GLU 9 Cb 0.10 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 2jww h GLU 9 CO -0.15 0.20 -0.29 -0.44 -0.73 0.00 0.00 179.01 177.60 2jww h ASP 10 N -0.20 -0.91 -0.54 1.04 5.19 -1.70 0.34 116.42 119.64 2jww h ASP 10 Ca -0.00 0.15 0.09 0.00 -0.62 0.00 0.00 57.03 56.64 2jww h ASP 10 Cb 0.20 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 2jww h ASP 10 CO 0.00 -0.32 0.36 0.40 -3.12 0.00 0.00 179.24 176.56 2jww h ILE 11 N -0.32 0.91 -0.16 0.35 2.04 -0.73 0.51 117.51 120.10 2jww h ILE 11 Ca 0.12 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2jww h ILE 11 Cb 0.51 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2jww h ILE 11 CO -0.38 0.07 -0.18 0.50 0.00 0.00 0.00 178.15 178.16 2jww h LYS 12 N 0.37 0.41 0.08 2.37 3.64 -0.63 -1.74 116.57 121.07 2jww h LYS 12 Ca 0.24 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jww h LYS 12 Cb 0.48 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2jww h LYS 12 CO -0.06 0.79 -0.04 0.87 -2.27 0.00 0.00 179.45 178.74 2jww h LYS 13 N 0.05 -0.10 -0.94 1.90 1.57 -0.33 -2.16 116.57 116.57 2jww h LYS 13 Ca 0.02 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2jww h LYS 13 Cb 0.72 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.98 2jww h LYS 13 CO 0.04 0.44 0.60 0.00 -0.57 0.00 0.00 179.45 179.97 2jww h ALA 14 N 0.02 1.57 0.04 3.86 0.00 -0.11 0.97 119.26 125.61 2jww h ALA 14 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jww h ALA 14 Cb 0.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jww h ALA 14 CO 0.02 0.25 -0.02 0.82 0.00 0.00 0.00 179.25 180.31 2jww h ILE 15 N 0.97 1.35 -0.01 0.00 2.04 -1.38 -3.26 117.51 117.22 2jww h ILE 15 Ca 0.43 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2jww h ILE 15 Cb 0.37 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2jww h ILE 15 CO -0.19 0.37 -0.17 0.61 0.00 0.00 0.00 178.15 178.77 2jww n GLY 16 N 0.82 -0.80 0.09 5.37 0.00 -0.81 -3.84 105.19 106.02 2jww n GLY 16 Ca -0.09 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.64 2jww n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jww n ALA 17 N -0.82 2.12 -3.71 4.61 0.00 0.34 -4.76 120.51 118.28 2jww n ALA 17 Ca 0.13 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 2jww n ALA 17 Cb 0.31 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.05 3.43 -0.20 0.00 0.08 -1.23 -4.94 117.98 112.07 2jww s PHE 18 Ca -0.03 -2.15 -0.17 0.00 0.12 0.00 0.00 56.93 54.70 2jww s PHE 18 Cb 0.09 -2.62 -0.19 0.00 -0.57 0.00 0.00 43.02 39.73 2jww s PHE 18 CO 0.82 -0.88 0.14 -2.37 -0.10 0.00 0.00 175.22 172.83 2jww n THR 19 N 4.59 1.58 -0.13 0.64 5.66 -1.26 -4.38 114.28 120.98 2jww n THR 19 Ca -0.07 -0.22 -0.24 0.00 -3.05 0.00 0.00 64.05 60.46 2jww n THR 19 Cb 0.42 -1.94 -0.11 0.00 -1.55 0.00 0.00 70.33 67.16 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jww n ALA 20 N -3.46 1.27 -0.01 1.79 0.00 -1.26 -3.90 120.51 114.94 2jww n ALA 20 Ca -0.36 -1.06 -0.06 0.00 0.00 0.00 0.00 53.44 51.95 2jww n ALA 20 Cb 0.79 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.53 -0.62 -0.06 0.00 0.00 -1.94 0.11 119.26 116.21 2jww h ALA 21 Ca -0.63 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.27 2jww h ALA 21 Cb 1.73 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 20.29 2jww h ALA 21 CO -0.26 -0.70 0.05 0.38 0.00 0.00 0.00 179.25 178.72 2jww h ASP 22 N -0.24 0.00 -0.31 0.00 2.03 -1.78 0.87 116.42 116.98 2jww h ASP 22 Ca 0.01 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.41 2jww h ASP 22 Cb 0.28 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 2jww h ASP 22 CO -0.19 0.00 0.35 -1.28 -1.03 0.00 0.00 179.24 177.09 2jww h SER 23 N 0.00 0.00 0.00 4.15 0.87 -0.93 -2.65 113.55 114.99 2jww h SER 23 Ca 0.03 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 2jww h SER 23 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2jww h SER 23 CO -0.00 0.00 -1.35 0.33 -0.53 0.00 0.00 176.83 175.28 2jww n PHE 24 N -3.74 0.71 -3.48 2.24 -0.00 0.27 -4.36 117.46 109.11 2jww n PHE 24 Ca 0.05 0.31 -0.19 0.00 -0.00 0.00 0.00 57.45 57.62 2jww n PHE 24 Cb 0.50 -0.97 -0.12 0.00 -0.00 0.00 0.00 39.48 38.89 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 -6.68 1.64 0.05 -2.13 -1.08 -1.01 -3.87 116.67 103.60 2jww s ASP 25 Ca -0.28 -0.44 0.17 0.00 -0.52 0.00 0.00 52.55 51.48 2jww s ASP 25 Cb 0.07 0.34 0.72 0.00 -1.46 0.00 0.00 42.92 42.59 2jww s ASP 25 CO 0.48 -0.35 1.54 1.41 0.52 0.00 0.00 175.17 178.77 2jww n HIS 26 N 5.31 0.16 -0.15 -5.34 8.25 -1.17 -3.47 115.22 118.82 2jww n HIS 26 Ca -0.05 0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 2jww n HIS 26 Cb 0.48 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.18 -0.61 -0.41 1.79 -1.93 1.59 116.57 116.81 2jww h LYS 27 Ca 0.00 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2jww h LYS 27 Cb 0.29 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 2jww h LYS 27 CO 0.00 -0.12 0.39 -0.22 -1.08 0.00 0.00 179.45 178.41 2jww h LYS 28 N -0.19 0.75 -0.57 3.15 1.63 -1.96 0.95 116.57 120.33 2jww h LYS 28 Ca 0.20 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 2jww h LYS 28 Cb 0.52 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 2jww h LYS 28 CO -0.58 0.49 0.38 0.35 -3.45 0.00 0.00 179.45 176.65 2jww h PHE 29 N 0.77 0.54 -0.35 1.91 3.57 -0.78 0.13 116.94 122.72 2jww h PHE 29 Ca 0.24 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.86 2jww h PHE 29 Cb -0.01 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 2jww h PHE 29 CO -0.05 0.29 0.28 0.35 -2.23 0.00 0.00 178.31 176.95 2jww h PHE 30 N 0.54 0.00 0.13 0.41 3.04 0.47 1.24 116.94 122.77 2jww h PHE 30 Ca 0.25 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.94 2jww h PHE 30 Cb 0.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.80 2jww h PHE 30 CO -0.00 0.00 -1.25 1.96 -2.02 0.00 0.00 178.31 177.00 2jww h GLN 31 N 0.00 0.27 -0.07 1.11 4.20 -0.60 -2.78 115.11 117.23 2jww h GLN 31 Ca 0.17 -0.46 -0.14 0.00 0.06 0.00 0.00 58.65 58.28 2jww h GLN 31 Cb 0.72 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2jww h GLN 31 CO -0.00 1.22 -0.59 0.52 -0.67 0.00 0.00 178.83 179.31 2jww h MET 32 N -0.31 0.24 0.00 1.46 2.86 -0.66 -2.96 114.93 115.56 2jww h MET 32 Ca -0.26 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 2jww h MET 32 Cb 1.74 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 2jww h MET 32 CO 0.09 0.76 -0.16 -0.24 1.06 0.00 0.00 176.91 178.41 2jww h VAL 33 N 0.18 0.64 0.00 -2.22 3.04 0.14 -3.40 116.25 114.63 2jww h VAL 33 Ca -0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2jww h VAL 33 Cb 1.08 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2jww h VAL 33 CO 0.09 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.42 2jww n GLY 34 N -0.54 0.82 0.16 3.17 0.00 -1.12 -1.52 105.19 106.17 2jww n GLY 34 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.00 0.99 3.38 -1.74 -2.69 115.31 115.26 2jww h LEU 35 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2jww h LEU 35 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jww h LEU 35 CO 0.00 0.52 -0.58 0.11 0.09 0.00 0.00 178.44 178.58 2jww h LYS 36 N 0.00 0.00 -0.98 1.13 1.57 -1.86 -3.29 116.57 113.14 2jww h LYS 36 Ca -0.01 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.06 2jww h LYS 36 Cb 0.98 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2jww h LYS 36 CO 0.07 0.27 0.70 -0.22 -0.57 0.00 0.00 179.45 179.70 2jww h LYS 37 N 0.00 0.02 0.00 3.15 3.11 -1.81 -3.41 116.57 117.63 2jww h LYS 37 Ca -0.03 -0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.70 2jww h LYS 37 Cb 1.26 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 2jww h LYS 37 CO 0.04 0.01 -0.06 1.63 -2.81 0.00 0.00 179.45 178.25 2jww n LYS 38 N -4.26 1.56 -2.77 1.90 4.76 -1.24 -5.08 118.16 113.03 2jww n LYS 38 Ca 0.21 -0.62 -0.21 0.00 -2.87 0.00 0.00 58.31 54.81 2jww n LYS 38 Cb 1.03 0.12 0.07 0.00 -1.84 0.00 0.00 35.03 34.41 2jww n LYS 38 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jww s SER 39 N -1.52 4.84 0.32 4.39 0.01 -1.26 -4.91 113.70 115.57 2jww s SER 39 Ca 0.03 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.86 2jww s SER 39 Cb -0.00 -0.11 0.64 0.00 0.21 0.00 0.00 66.02 66.76 2jww s SER 39 CO 0.02 -1.49 1.88 0.00 0.41 0.00 0.00 173.24 174.06 2jww h ALA 40 N -0.11 1.63 -0.04 1.44 0.00 -1.90 -1.91 119.26 118.36 2jww h ALA 40 Ca -0.36 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2jww h ALA 40 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2jww h ALA 40 CO 0.43 0.17 -0.00 0.38 0.00 0.00 0.00 179.25 180.22 2jww h ASP 41 N 0.89 -0.02 0.17 0.00 3.04 -1.97 0.40 116.42 118.94 2jww h ASP 41 Ca 0.43 0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.23 2jww h ASP 41 Cb 0.45 0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 38.75 2jww h ASP 41 CO -0.20 -0.00 -0.13 0.44 -2.04 0.00 0.00 179.24 177.32 2jww h ASP 42 N 0.01 -0.32 -0.82 4.15 3.32 -1.75 -1.87 116.42 119.14 2jww h ASP 42 Ca 0.02 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jww h ASP 42 Cb 0.02 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2jww h ASP 42 CO -0.03 -0.20 0.50 -0.37 -1.72 0.00 0.00 179.24 177.42 2jww h VAL 43 N -0.30 1.23 -0.02 -1.35 -1.51 -1.26 -1.38 116.25 111.66 2jww h VAL 43 Ca -0.01 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2jww h VAL 43 Cb 0.27 0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 29.49 2jww h VAL 43 CO -0.00 0.24 0.02 0.50 -1.23 0.00 0.00 177.57 177.09 2jww h LYS 44 N 1.14 0.00 -0.67 5.19 3.64 0.24 -1.99 116.57 124.13 2jww h LYS 44 Ca 0.30 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.81 2jww h LYS 44 Cb -0.05 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2jww h LYS 44 CO -0.06 0.00 0.45 0.87 -2.27 0.00 0.00 179.45 178.44 2jww h LYS 45 N 0.00 0.34 0.00 1.90 1.57 -0.44 0.62 116.57 120.56 2jww h LYS 45 Ca 0.01 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2jww h LYS 45 Cb 0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2jww h LYS 45 CO -0.00 0.22 -0.92 -0.24 -0.57 0.00 0.00 179.45 177.94 2jww h VAL 46 N 0.35 1.39 -0.64 0.50 3.04 -1.50 -3.24 116.25 116.14 2jww h VAL 46 Ca 0.32 -3.01 0.07 0.00 -1.01 0.00 0.00 66.70 63.07 2jww h VAL 46 Cb 0.77 2.68 -0.04 0.00 -2.01 0.00 0.00 31.29 32.69 2jww h VAL 46 CO -0.09 0.79 0.42 0.15 -1.01 0.00 0.00 177.57 177.84 2jww h PHE 47 N 0.00 0.63 0.00 3.17 3.57 0.24 0.42 116.94 124.97 2jww h PHE 47 Ca -0.03 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 2jww h PHE 47 Cb 1.67 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 2jww h PHE 47 CO 0.00 0.33 -0.59 1.25 -2.23 0.00 0.00 178.31 177.07 2jww h HIS 48 N 0.62 0.00 -0.08 0.41 2.76 -1.41 1.59 115.15 119.04 2jww h HIS 48 Ca 0.28 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 2jww h HIS 48 Cb 0.30 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 2jww h HIS 48 CO -0.00 0.59 -0.12 0.82 -1.30 0.00 0.00 177.93 177.92 2jww h ILE 49 N 0.00 1.39 0.15 6.26 1.08 -0.54 -3.27 117.51 122.58 2jww h ILE 49 Ca -0.01 -1.35 -0.29 0.00 -0.39 0.00 0.00 64.86 62.82 2jww h ILE 49 Cb 1.09 2.09 0.01 0.00 -3.07 0.00 0.00 36.82 36.93 2jww h ILE 49 CO 0.08 0.38 -1.44 0.17 -0.69 0.00 0.00 178.15 176.65 2jww h LEU 50 N -0.22 0.51 -4.32 1.44 8.10 -0.32 -3.36 115.31 117.13 2jww h LEU 50 Ca 0.01 -0.90 -0.39 0.00 0.11 0.00 0.00 57.88 56.71 2jww h LEU 50 Cb 0.67 -0.17 -0.14 0.00 -0.44 0.00 0.00 40.66 40.58 2jww h LEU 50 CO 0.03 1.65 0.14 -0.67 -4.11 0.00 0.00 178.44 175.48 2jww n ASP 51 N -3.84 6.07 0.01 0.17 -0.08 0.54 -4.58 116.55 114.85 2jww n ASP 51 Ca -0.23 -2.97 -0.12 0.00 -1.51 0.00 0.00 54.79 49.96 2jww n ASP 51 Cb 0.96 -1.29 -0.09 0.00 2.34 0.00 0.00 41.12 43.04 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 2.93 -0.09 -0.15 -0.67 -0.00 -1.72 -3.36 116.57 113.51 2jww h LYS 52 Ca 0.32 0.01 -0.03 0.00 -0.00 0.00 0.00 60.65 60.95 2jww h LYS 52 Cb 0.98 0.02 -0.02 0.00 -0.00 0.00 0.00 32.23 33.21 2jww h LYS 52 CO 0.66 0.43 -0.07 -3.47 -0.00 0.00 0.00 179.45 177.00 2jww n ASP 53 N -4.86 2.83 -0.53 7.07 2.03 -1.26 -4.60 116.55 117.22 2jww n ASP 53 Ca -0.08 -3.29 0.08 0.00 0.52 0.00 0.00 54.79 52.02 2jww n ASP 53 Cb 0.28 -0.52 0.27 0.00 -0.72 0.00 0.00 41.12 40.43 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jww n LYS 54 N -1.03 1.68 -2.92 -0.67 4.76 -1.26 -4.92 118.16 113.82 2jww n LYS 54 Ca 0.21 -1.05 -0.22 0.00 -2.87 0.00 0.00 58.31 54.39 2jww n LYS 54 Cb 0.81 -1.31 0.03 0.00 -1.84 0.00 0.00 35.03 32.71 2jww n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2jww n SER 55 N 0.30 -5.96 0.00 4.39 3.41 -1.26 -1.91 113.62 112.59 2jww n SER 55 Ca 0.13 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2jww n SER 55 Cb 0.28 -4.85 0.00 0.00 -0.26 0.00 0.00 64.21 59.38 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jww n GLY 56 N -1.41 0.40 3.56 5.00 0.00 -1.26 -5.03 105.19 106.45 2jww n GLY 56 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.14 -0.48 0.03 1.61 -0.71 -0.80 -1.22 117.98 114.27 2jww s PHE 57 Ca 0.00 0.82 0.01 0.00 -1.04 0.00 0.00 56.93 56.72 2jww s PHE 57 Cb 0.00 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 2jww s PHE 57 CO 0.00 -0.43 0.09 0.42 -1.34 0.00 0.00 175.22 173.96 2jww s ILE 58 N -1.11 4.74 -0.19 -4.49 1.09 0.50 -4.62 121.20 117.11 2jww s ILE 58 Ca -0.05 -0.52 -0.12 0.00 -1.10 0.00 0.00 60.65 58.86 2jww s ILE 58 Cb -0.00 -3.22 -0.05 0.00 -1.06 0.00 0.00 42.46 38.13 2jww s ILE 58 CO 0.04 0.26 0.23 -1.61 -0.10 0.00 0.00 174.94 173.76 2jww s GLU 59 N -2.02 4.19 0.33 2.79 2.02 -1.26 -1.13 118.70 123.62 2jww s GLU 59 Ca 0.26 -0.07 0.27 0.00 0.02 0.00 0.00 54.97 55.45 2jww s GLU 59 Cb -0.12 -3.46 1.09 0.00 0.10 0.00 0.00 34.13 31.74 2jww s GLU 59 CO 0.18 0.19 1.08 -0.85 0.02 0.00 0.00 175.26 175.88 2jww n GLU 60 N 3.82 -0.02 0.02 1.61 0.28 -0.80 0.16 120.64 125.71 2jww n GLU 60 Ca -0.13 0.83 -0.12 0.00 -0.16 0.00 0.00 57.16 57.57 2jww n GLU 60 Cb 0.52 -1.72 -0.09 0.00 1.43 0.00 0.00 31.44 31.57 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 -0.10 1.75 -1.84 3.32 -1.92 -3.21 116.42 114.41 2jww h ASP 61 Ca 0.63 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2jww h ASP 61 Cb 2.19 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.77 2jww h ASP 61 CO -0.22 0.42 0.00 -0.33 -1.72 0.00 0.00 179.24 177.39 2jww h GLU 62 N -0.66 0.00 -1.04 3.56 3.07 0.10 -3.26 114.58 116.35 2jww h GLU 62 Ca -0.01 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.13 2jww h GLU 62 Cb 0.53 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.38 2jww h GLU 62 CO 0.02 0.00 0.72 1.25 -1.40 0.00 0.00 179.01 179.60 2jww h LEU 63 N 0.00 0.18 -1.70 1.33 7.12 0.16 1.24 115.31 123.63 2jww h LEU 63 Ca 0.00 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2jww h LEU 63 Cb 0.87 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 2jww h LEU 63 CO 0.00 0.04 -0.02 1.23 -0.13 0.00 0.00 178.44 179.56 2jww h GLY 64 N 0.16 0.00 0.00 3.75 0.00 -1.69 -1.53 103.07 103.76 2jww h GLY 64 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2jww h GLY 64 CO -0.11 0.00 -0.26 0.23 0.00 0.00 0.00 176.54 176.40 2jww h SER 65 N 0.00 0.00 -0.35 0.19 0.87 0.13 -3.34 113.55 111.05 2jww h SER 65 Ca -0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 2jww h SER 65 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2jww h SER 65 CO 0.00 0.55 0.51 -0.29 -0.53 0.00 0.00 176.83 177.07 2jww h ILE 66 N -0.84 0.23 -0.69 2.23 6.09 -1.42 -2.31 117.51 120.79 2jww h ILE 66 Ca 0.00 0.00 0.13 0.00 -1.37 0.00 0.00 64.86 63.62 2jww h ILE 66 Cb 0.26 0.57 -0.13 0.00 0.47 0.00 0.00 36.82 37.98 2jww h ILE 66 CO 0.00 0.00 -0.23 -0.07 -3.07 0.00 0.00 178.15 174.78 2jww h LEU 67 N 0.00 -0.83 -0.78 2.19 -0.00 -1.41 0.46 115.31 114.94 2jww h LEU 67 Ca 0.17 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 2jww h LEU 67 Cb 1.19 0.49 0.00 0.00 -0.00 0.00 0.00 40.66 42.34 2jww h LEU 67 CO -0.00 -0.26 0.39 0.07 -0.00 0.00 0.00 178.44 178.64 2jww h LYS 68 N -0.05 0.00 -0.54 1.13 5.09 -1.64 -1.85 116.57 118.71 2jww h LYS 68 Ca 0.32 0.00 0.11 0.00 0.09 0.00 0.00 60.65 61.16 2jww h LYS 68 Cb 0.54 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 32.76 2jww h LYS 68 CO -0.73 0.00 -0.25 0.78 -2.09 0.00 0.00 179.45 177.15 2jww h GLY 69 N 0.00 0.10 0.08 0.07 0.00 -1.13 1.23 103.07 103.42 2jww h GLY 69 Ca 0.00 0.32 -0.40 0.00 0.00 0.00 0.00 47.33 47.26 2jww h GLY 69 CO 0.00 -0.22 -2.36 1.97 0.00 0.00 0.00 176.54 175.93 2jww n PHE 70 N -5.43 0.23 1.36 5.60 -1.74 -0.81 -4.39 117.46 112.28 2jww n PHE 70 Ca 0.05 0.06 0.08 0.00 -0.56 0.00 0.00 57.45 57.08 2jww n PHE 70 Cb 0.34 -1.03 0.49 0.00 1.52 0.00 0.00 39.48 40.80 2jww n PHE 70 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2jww n SER 71 N -3.66 0.00 0.00 5.98 7.64 -0.76 -4.06 113.62 118.76 2jww n SER 71 Ca -0.46 -0.84 0.21 0.00 1.01 0.00 0.00 58.87 58.79 2jww n SER 71 Cb 0.95 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.67 2jww n SER 71 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2jww h SER 72 N 0.00 0.00 0.74 6.43 0.87 0.14 1.56 113.55 123.29 2jww h SER 72 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2jww h SER 72 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2jww h SER 72 CO 0.00 0.00 -1.34 0.47 -0.53 0.00 0.00 176.83 175.43 2jww n ASP 73 N -3.27 0.81 -0.23 6.23 9.92 -1.26 -4.96 116.55 123.79 2jww n ASP 73 Ca 0.13 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2jww n ASP 73 Cb 1.07 0.32 0.00 0.00 -0.64 0.00 0.00 41.12 41.87 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 -2.34 0.00 -1.31 2.24 0.00 0.53 -4.80 120.51 114.83 2jww n ALA 74 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2jww n ALA 74 Cb 0.76 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.05 -0.55 -4.45 0.00 1.74 -1.26 -4.92 116.66 107.17 2jww n ARG 75 Ca 0.00 -0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 56.04 2jww n ARG 75 Cb 0.00 -0.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.90 2jww n ARG 75 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2jww n ASP 76 N -3.33 3.22 -4.59 0.55 9.92 -1.26 -4.77 116.55 116.28 2jww n ASP 76 Ca 0.06 -3.17 -0.43 0.00 -0.53 0.00 0.00 54.79 50.72 2jww n ASP 76 Cb 0.21 0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 40.88 2jww n ASP 76 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jww s LEU 77 N 0.00 3.52 0.00 0.64 2.96 -1.25 -4.97 118.68 119.58 2jww s LEU 77 Ca 0.12 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 2jww s LEU 77 Cb -0.01 -3.42 0.07 0.00 0.50 0.00 0.00 46.19 43.33 2jww s LEU 77 CO 0.07 -1.61 0.51 -1.20 -1.32 0.00 0.00 176.35 172.80 2jww n SER 78 N 9.63 0.88 -0.21 3.68 7.64 -1.26 -4.39 113.62 129.60 2jww n SER 78 Ca 0.19 -1.70 -0.00 0.00 1.01 0.00 0.00 58.87 58.36 2jww n SER 78 Cb 0.48 -0.32 0.07 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.26 0.47 0.10 -0.43 0.00 -1.94 0.75 119.26 117.96 2jww h ALA 79 Ca -0.17 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jww h ALA 79 Cb 0.68 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2jww h ALA 79 CO 0.20 -0.42 -0.22 0.87 0.00 0.00 0.00 179.25 179.68 2jww h LYS 80 N 0.03 -0.39 -0.33 0.00 1.57 -1.88 -2.18 116.57 113.39 2jww h LYS 80 Ca 0.31 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 2jww h LYS 80 Cb 0.48 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2jww h LYS 80 CO -0.61 -0.26 -0.35 0.93 -0.57 0.00 0.00 179.45 178.59 2jww h GLU 81 N -0.40 0.74 -0.27 3.15 5.08 -1.41 1.75 114.58 123.21 2jww h GLU 81 Ca 0.03 -0.36 0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2jww h GLU 81 Cb 0.43 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2jww h GLU 81 CO -0.13 0.98 -0.07 1.15 -1.00 0.00 0.00 179.01 179.94 2jww h THR 82 N 0.62 0.73 0.02 1.13 2.02 0.65 2.07 112.91 120.13 2jww h THR 82 Ca 0.06 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.04 2jww h THR 82 Cb 0.88 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2jww h THR 82 CO 0.08 0.00 -0.92 0.11 0.37 0.00 0.00 175.52 175.16 2jww h LYS 83 N -0.00 0.13 0.00 6.66 1.79 -1.27 -2.19 116.57 121.69 2jww h LYS 83 Ca 0.13 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2jww h LYS 83 Cb 0.20 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2jww h LYS 83 CO -0.28 0.96 -0.53 1.15 -1.08 0.00 0.00 179.45 179.66 2jww h THR 84 N 0.06 0.20 0.01 -0.16 2.02 0.34 -3.29 112.91 112.09 2jww h THR 84 Ca -0.04 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 2jww h THR 84 Cb 1.58 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2jww h THR 84 CO 0.13 0.07 -0.13 0.25 0.37 0.00 0.00 175.52 176.21 2jww h LEU 85 N -1.00 0.09 0.15 2.58 5.85 0.30 -1.74 115.31 121.54 2jww h LEU 85 Ca -0.05 -0.89 -0.01 0.00 0.84 0.00 0.00 57.88 57.77 2jww h LEU 85 Cb 0.57 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2jww h LEU 85 CO -0.03 0.97 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.94 2jww h MET 86 N -0.78 -0.19 0.00 1.25 4.05 -0.67 0.30 114.93 118.89 2jww h MET 86 Ca -0.02 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2jww h MET 86 Cb 1.00 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2jww h MET 86 CO 0.02 0.11 -0.06 0.00 0.23 0.00 0.00 176.91 177.22 2jww h ALA 87 N 0.28 1.87 0.06 0.39 0.00 -1.47 -0.26 119.26 120.13 2jww h ALA 87 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jww h ALA 87 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jww h ALA 87 CO 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 2jww h ALA 88 N 1.94 -0.14 -0.91 0.00 0.00 -1.10 -3.32 119.26 115.74 2jww h ALA 88 Ca -0.00 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.14 2jww h ALA 88 Cb 0.10 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 2jww h ALA 88 CO 0.01 -0.13 0.30 0.78 0.00 0.00 0.00 179.25 180.21 2jww h GLY 89 N -0.56 1.51 -3.07 0.00 0.00 -0.36 0.34 103.07 100.91 2jww h GLY 89 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 2jww h GLY 89 CO 0.01 -0.40 0.10 2.09 0.00 0.00 0.00 176.54 178.35 2jww n ASP 90 N -5.20 5.49 -0.20 0.19 5.75 -0.12 -2.51 116.55 119.96 2jww n ASP 90 Ca 0.24 -2.55 0.17 0.00 -0.01 0.00 0.00 54.79 52.63 2jww n ASP 90 Cb 0.75 -1.08 0.29 0.00 -1.03 0.00 0.00 41.12 40.05 2jww n ASP 90 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2jww n LYS 91 N 1.16 -0.02 0.27 0.11 0.00 0.12 0.18 118.16 119.98 2jww n LYS 91 Ca 0.08 0.56 0.15 0.00 0.00 0.00 0.00 58.31 59.09 2jww n LYS 91 Cb 0.53 -1.09 0.78 0.00 0.00 0.00 0.00 35.03 35.25 2jww n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2jww h ASP 92 N 0.00 0.00 -3.23 3.14 5.19 -1.86 -3.45 116.42 116.21 2jww h ASP 92 Ca 0.39 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 2jww h ASP 92 Cb 1.22 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.78 2jww h ASP 92 CO -0.22 0.00 -0.23 0.61 -3.12 0.00 0.00 179.24 176.27 2jww n GLY 93 N -1.21 0.23 0.45 2.75 0.00 0.47 -4.98 105.19 102.89 2jww n GLY 93 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.72 2.01 -0.06 1.61 9.92 -1.25 -4.97 116.55 122.09 2jww n ASP 94 Ca -0.07 -1.51 -0.01 0.00 -0.53 0.00 0.00 54.79 52.67 2jww n ASP 94 Cb 0.55 -0.03 -0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jww n GLY 95 N 0.58 0.25 3.40 0.44 0.00 -1.26 -4.93 105.19 103.66 2jww n GLY 95 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.41 1.22 -0.16 1.61 1.02 -1.26 -1.91 119.74 118.85 2jww s LYS 96 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2jww s LYS 96 Cb 0.00 0.44 0.03 0.00 -0.52 0.00 0.00 37.83 37.78 2jww s LYS 96 CO 0.00 -0.48 -0.11 0.42 -0.92 0.00 0.00 175.35 174.27 2jww s ILE 97 N -3.91 1.42 0.39 2.17 1.01 -0.28 -4.67 121.20 117.34 2jww s ILE 97 Ca 0.12 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2jww s ILE 97 Cb 0.02 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 41.06 2jww s ILE 97 CO -0.03 0.32 0.05 0.61 0.00 0.00 0.00 174.94 175.89 2jww n GLY 98 N 4.80 3.56 0.43 6.18 0.00 -1.25 -0.37 105.19 118.53 2jww n GLY 98 Ca -0.15 -2.32 0.24 0.00 0.00 0.00 0.00 46.02 43.79 2jww n GLY 98 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jww h VAL 99 N 1.10 0.58 0.05 1.61 3.04 -1.59 0.34 116.25 121.39 2jww h VAL 99 Ca -0.31 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2jww h VAL 99 Cb 0.97 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2jww h VAL 99 CO 0.51 0.05 -0.03 1.05 -1.01 0.00 0.00 177.57 178.15 2jww h GLU 100 N 0.27 -0.07 -0.01 4.17 4.11 -1.95 -3.32 114.58 117.78 2jww h GLU 100 Ca 0.50 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.79 2jww h GLU 100 Cb 1.48 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 2jww h GLU 100 CO -0.15 0.47 -0.67 0.93 0.07 0.00 0.00 179.01 179.65 2jww h GLU 101 N -0.66 0.07 -0.41 1.06 5.08 -1.69 -3.08 114.58 114.95 2jww h GLU 101 Ca -0.01 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2jww h GLU 101 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2jww h GLU 101 CO 0.01 0.72 0.46 0.35 -1.00 0.00 0.00 179.01 179.55 2jww h PHE 102 N 0.05 0.00 0.14 4.33 3.04 -0.46 0.84 116.94 124.89 2jww h PHE 102 Ca -0.01 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.64 2jww h PHE 102 Cb 1.20 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.73 2jww h PHE 102 CO 0.01 0.00 -1.28 1.03 -2.02 0.00 0.00 178.31 176.05 2jww h SER 103 N 0.00 0.79 -0.57 0.41 0.87 -1.66 -3.31 113.55 110.07 2jww h SER 103 Ca 0.20 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 59.98 2jww h SER 103 Cb 1.12 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 2jww h SER 103 CO -0.00 1.57 0.27 0.74 -0.53 0.00 0.00 176.83 178.88 2jww h THR 104 N 0.22 1.21 -0.62 2.23 2.02 0.53 -1.93 112.91 116.57 2jww h THR 104 Ca -0.19 -0.58 0.18 0.00 0.77 0.00 0.00 66.41 66.59 2jww h THR 104 Cb 1.96 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2jww h THR 104 CO 0.24 0.23 0.56 0.17 0.37 0.00 0.00 175.52 177.09 2jww h LEU 105 N 0.77 0.00 -0.83 2.58 -0.00 -0.74 0.98 115.31 118.08 2jww h LEU 105 Ca 0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.96 2jww h LEU 105 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2jww h LEU 105 CO -0.02 0.00 -0.36 0.58 -0.00 0.00 0.00 178.44 178.63 2jww h VAL 106 N 0.00 1.29 0.00 0.15 2.07 -1.47 -2.77 116.25 115.52 2jww h VAL 106 Ca 0.29 -1.47 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 2jww h VAL 106 Cb 1.40 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2jww h VAL 106 CO -0.00 0.46 -0.74 0.00 0.02 0.00 0.00 177.57 177.31 2jww h ALA 107 N 1.24 0.56 -2.90 1.67 0.00 0.88 -3.39 119.26 117.32 2jww h ALA 107 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jww h ALA 107 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jww h ALA 107 CO 0.07 0.88 0.00 0.39 0.00 0.00 0.00 179.25 180.58 2jww n GLU 108 N -3.25 0.00 0.00 0.00 4.71 -0.14 -5.13 120.64 116.82 2jww n GLU 108 Ca 0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2jww n GLU 108 Cb 0.82 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 30.23 2jww n GLU 108 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67