#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 -6.94 0.01 4.33 0.00 -1.26 -4.91 117.12 108.35 2jww n MET 2 Ca 0.00 0.74 0.08 0.00 0.00 0.00 0.00 57.70 58.52 2jww n MET 2 Cb 0.00 -5.51 -0.12 0.00 0.00 0.00 0.00 33.22 27.59 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 -4.60 0.38 0.01 1.12 -2.24 -1.26 -2.93 114.28 104.76 2jww n THR 3 Ca -0.03 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.12 2jww n THR 3 Cb 0.57 -0.18 0.12 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.54 0.00 3.42 5.19 -2.00 -3.39 116.42 120.18 2jww h ASP 4 Ca -0.07 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2jww h ASP 4 Cb 1.17 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2jww h ASP 4 CO 0.01 0.89 -0.54 0.18 -3.12 0.00 0.00 179.24 176.66 2jww n LEU 5 N -4.02 1.07 -4.75 1.55 7.99 -1.26 -4.97 117.00 112.61 2jww n LEU 5 Ca -0.02 0.18 -0.41 0.00 -0.01 0.00 0.00 56.01 55.76 2jww n LEU 5 Cb 0.52 -0.61 -0.04 0.00 -0.11 0.00 0.00 43.42 43.17 2jww n LEU 5 CO 0.45 -0.38 0.81 -0.76 -1.51 0.00 0.00 177.39 175.99 2jww s LEU 6 N -6.61 4.52 -0.29 2.23 1.43 -1.15 -4.91 118.68 113.89 2jww s LEU 6 Ca -0.16 2.21 -0.32 0.00 -1.03 0.00 0.00 54.13 54.83 2jww s LEU 6 Cb 0.02 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 2jww s LEU 6 CO 0.23 -0.21 2.20 -1.54 0.23 0.00 0.00 176.35 177.26 2jww n SER 7 N 1.77 2.59 -0.30 2.29 3.41 -1.26 -4.21 113.62 117.92 2jww n SER 7 Ca 0.01 0.34 -0.04 0.00 -0.26 0.00 0.00 58.87 58.92 2jww n SER 7 Cb 0.45 -1.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.10 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 13.33 1.03 -0.07 7.33 0.00 -1.84 -0.95 119.26 138.09 2jww h ALA 8 Ca -0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2jww h ALA 8 Cb 1.29 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jww h ALA 8 CO 0.99 0.47 0.02 1.49 0.00 0.00 0.00 179.25 182.23 2jww h GLU 9 N 1.10 0.12 0.07 0.00 4.81 -1.94 -1.96 114.58 116.79 2jww h GLU 9 Ca 0.29 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2jww h GLU 9 Cb -0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2jww h GLU 9 CO -0.06 0.32 -0.20 -0.44 -0.73 0.00 0.00 179.01 177.91 2jww h ASP 10 N -0.10 -0.56 0.06 1.04 5.19 -1.74 0.85 116.42 121.16 2jww h ASP 10 Ca 0.02 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2jww h ASP 10 Cb 0.26 0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 2jww h ASP 10 CO 0.00 -0.27 -0.21 0.40 -3.12 0.00 0.00 179.24 176.04 2jww h ILE 11 N -0.36 0.52 -0.34 0.35 2.04 -0.76 0.78 117.51 119.74 2jww h ILE 11 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jww h ILE 11 Cb 0.39 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2jww h ILE 11 CO -0.13 0.00 0.23 0.11 0.00 0.00 0.00 178.15 178.35 2jww h LYS 12 N -0.36 0.45 0.08 2.37 1.57 -1.19 0.59 116.57 120.08 2jww h LYS 12 Ca 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jww h LYS 12 Cb 0.41 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jww h LYS 12 CO -0.15 0.30 -0.04 0.87 -0.57 0.00 0.00 179.45 179.85 2jww h LYS 13 N 0.46 -0.11 -0.20 3.15 1.57 0.26 -2.07 116.57 119.63 2jww h LYS 13 Ca 0.13 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2jww h LYS 13 Cb -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2jww h LYS 13 CO -0.03 0.43 -0.34 0.00 -0.57 0.00 0.00 179.45 178.94 2jww h ALA 14 N -0.04 1.03 -0.11 3.86 0.00 0.76 0.21 119.26 124.97 2jww h ALA 14 Ca -0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 2jww h ALA 14 Cb 0.59 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jww h ALA 14 CO 0.02 0.59 -0.66 0.82 0.00 0.00 0.00 179.25 180.02 2jww h ILE 15 N 0.37 1.33 -0.01 0.00 2.04 0.09 -3.23 117.51 118.09 2jww h ILE 15 Ca 0.04 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2jww h ILE 15 Cb 0.78 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2jww h ILE 15 CO 0.06 0.59 -0.39 0.61 0.00 0.00 0.00 178.15 179.03 2jww n GLY 16 N 0.75 -0.14 0.11 5.37 0.00 -0.78 -4.02 105.19 106.47 2jww n GLY 16 Ca -0.08 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.18 0.80 -3.16 4.61 0.00 0.74 -4.73 120.51 118.58 2jww n ALA 17 Ca 0.10 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 2jww n ALA 17 Cb 0.43 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 2jww n ALA 17 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2jww n PHE 18 N -4.43 1.23 -0.40 0.00 -1.74 -1.22 -4.93 117.46 105.97 2jww n PHE 18 Ca -0.33 -3.84 0.34 0.00 -0.56 0.00 0.00 57.45 53.06 2jww n PHE 18 Cb 0.68 -0.43 0.61 0.00 1.52 0.00 0.00 39.48 41.86 2jww n PHE 18 CO 0.00 0.00 0.00 1.79 -0.56 0.00 0.00 176.76 177.99 2jww h THR 19 N 1.85 0.12 -1.04 1.97 1.35 -1.77 0.88 112.91 116.27 2jww h THR 19 Ca 0.11 -0.04 0.30 0.00 -0.55 0.00 0.00 66.41 66.23 2jww h THR 19 Cb 0.82 0.01 -0.13 0.00 -1.73 0.00 0.00 68.15 67.12 2jww h THR 19 CO 0.59 0.02 0.63 0.00 -0.25 0.00 0.00 175.52 176.51 2jww h ALA 20 N 1.73 2.04 0.06 6.62 0.00 -1.93 0.23 119.26 128.02 2jww h ALA 20 Ca 0.82 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.86 2jww h ALA 20 Cb 2.36 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2jww h ALA 20 CO -0.53 -0.57 -0.19 0.00 0.00 0.00 0.00 179.25 177.97 2jww h ALA 21 N 1.73 -0.74 -0.00 0.00 0.00 0.53 0.49 119.26 121.27 2jww h ALA 21 Ca 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2jww h ALA 21 Cb 1.58 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 2jww h ALA 21 CO -0.47 -0.78 0.01 0.22 0.00 0.00 0.00 179.25 178.23 2jww h ASP 22 N -0.28 0.00 0.55 0.00 1.82 -1.43 1.26 116.42 118.34 2jww h ASP 22 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 2jww h ASP 22 Cb 0.28 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.29 2jww h ASP 22 CO -0.09 0.00 -0.27 -1.28 -1.61 0.00 0.00 179.24 176.00 2jww h SER 23 N 0.00 -0.63 0.06 2.28 0.87 0.23 -3.37 113.55 112.99 2jww h SER 23 Ca 0.00 -0.04 -0.38 0.00 -1.23 0.00 0.00 61.79 60.15 2jww h SER 23 Cb 0.03 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 2jww h SER 23 CO -0.00 -0.25 -2.26 2.22 -0.53 0.00 0.00 176.83 176.01 2jww n PHE 24 N -5.29 0.54 -3.37 2.24 1.16 0.14 -4.79 117.46 108.09 2jww n PHE 24 Ca -0.11 0.12 -0.15 0.00 -1.87 0.00 0.00 57.45 55.44 2jww n PHE 24 Cb 0.32 -1.07 -0.09 0.00 -1.61 0.00 0.00 39.48 37.04 2jww n PHE 24 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jww s ASP 25 N -6.71 1.34 0.50 5.98 1.11 0.43 -4.60 116.67 114.72 2jww s ASP 25 Ca -0.29 -0.79 0.32 0.00 0.18 0.00 0.00 52.55 51.97 2jww s ASP 25 Cb 0.08 0.64 1.31 0.00 1.07 0.00 0.00 42.92 46.02 2jww s ASP 25 CO 0.68 -0.37 1.94 -0.74 1.18 0.00 0.00 175.17 177.86 2jww h HIS 26 N 8.09 0.00 -0.58 4.23 -0.00 -1.63 -3.19 115.15 122.06 2jww h HIS 26 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.38 2jww h HIS 26 Cb 1.08 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.38 2jww h HIS 26 CO 0.28 0.00 -0.25 0.87 -0.00 0.00 0.00 177.93 178.84 2jww h LYS 27 N 0.00 -0.10 -0.31 5.26 1.79 -1.94 1.43 116.57 122.70 2jww h LYS 27 Ca 0.00 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2jww h LYS 27 Cb 0.48 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2jww h LYS 27 CO 0.00 -0.06 0.19 0.87 -1.08 0.00 0.00 179.45 179.37 2jww h LYS 28 N -0.10 0.42 -0.44 3.15 1.79 -1.90 -0.08 116.57 119.41 2jww h LYS 28 Ca 0.26 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.82 2jww h LYS 28 Cb 0.51 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2jww h LYS 28 CO -0.65 0.31 0.33 0.35 -1.08 0.00 0.00 179.45 178.71 2jww h PHE 29 N 0.40 0.00 0.00 -1.35 3.57 -0.51 0.35 116.94 119.40 2jww h PHE 29 Ca 0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2jww h PHE 29 Cb -0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2jww h PHE 29 CO -0.05 0.00 -0.16 0.35 -2.23 0.00 0.00 178.31 176.22 2jww h PHE 30 N 0.00 0.00 0.00 0.41 3.04 0.37 0.21 116.94 120.97 2jww h PHE 30 Ca 0.21 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 2jww h PHE 30 Cb 0.86 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 2jww h PHE 30 CO 0.00 0.16 -0.34 1.96 -2.02 0.00 0.00 178.31 178.08 2jww h GLN 31 N 0.00 0.00 0.00 1.11 4.20 -0.16 -2.83 115.11 117.44 2jww h GLN 31 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2jww h GLN 31 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jww h GLN 31 CO 0.02 0.73 -0.40 0.52 -0.67 0.00 0.00 178.83 179.02 2jww h MET 32 N -1.00 0.00 0.00 1.46 2.86 -1.40 -2.61 114.93 114.24 2jww h MET 32 Ca -0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2jww h MET 32 Cb 0.84 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 2jww h MET 32 CO -0.05 0.40 -0.13 -0.24 1.06 0.00 0.00 176.91 177.95 2jww h VAL 33 N 0.00 0.55 0.00 -2.22 3.04 -0.74 -3.40 116.25 113.48 2jww h VAL 33 Ca -0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2jww h VAL 33 Cb 0.74 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2jww h VAL 33 CO 0.05 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.35 2jww n GLY 34 N -0.56 0.75 0.18 3.17 0.00 -0.99 -2.32 105.19 105.44 2jww n GLY 34 Ca -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.38 0.99 3.38 -1.73 -2.15 115.31 115.43 2jww h LEU 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jww h LEU 35 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jww h LEU 35 CO 0.00 0.40 -0.42 0.29 0.09 0.00 0.00 178.44 178.80 2jww n LYS 36 N -3.77 0.58 -0.38 1.13 5.02 -1.25 -4.34 118.16 115.15 2jww n LYS 36 Ca -0.01 -0.38 0.38 0.00 -2.02 0.00 0.00 58.31 56.28 2jww n LYS 36 Cb 0.47 -1.49 0.70 0.00 -0.02 0.00 0.00 35.03 34.70 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 0.92 0.00 0.00 1.97 3.64 -1.72 -3.40 116.57 117.98 2jww h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jww h LYS 37 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2jww h LYS 37 CO 0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 2jww n LYS 38 N -3.82 0.00 -4.13 1.90 5.02 -1.26 -5.12 118.16 110.74 2jww n LYS 38 Ca 0.29 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.42 2jww n LYS 38 Cb 1.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 36.47 2jww n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jww s SER 39 N 1.00 1.15 0.42 4.39 0.01 -1.26 -5.03 113.70 114.38 2jww s SER 39 Ca 0.00 -1.57 0.11 0.00 1.31 0.00 0.00 55.95 55.79 2jww s SER 39 Cb 0.00 0.65 0.91 0.00 0.21 0.00 0.00 66.02 67.79 2jww s SER 39 CO 0.00 -1.26 1.99 0.00 0.41 0.00 0.00 173.24 174.38 2jww h ALA 40 N 2.10 1.66 -0.53 1.44 0.00 -1.90 -2.15 119.26 119.88 2jww h ALA 40 Ca -0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2jww h ALA 40 Cb 1.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jww h ALA 40 CO 0.38 0.26 0.11 0.38 0.00 0.00 0.00 179.25 180.37 2jww h ASP 41 N 0.21 0.76 0.13 0.00 3.04 -1.97 0.18 116.42 118.77 2jww h ASP 41 Ca 0.05 -0.14 -0.01 0.00 -3.24 0.00 0.00 57.03 53.69 2jww h ASP 41 Cb 0.22 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 2jww h ASP 41 CO 0.01 0.77 -0.06 0.44 -2.04 0.00 0.00 179.24 178.35 2jww h ASP 42 N 0.78 -0.15 -0.56 4.15 5.19 -1.80 -3.20 116.42 120.84 2jww h ASP 42 Ca 0.17 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2jww h ASP 42 Cb 0.32 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 2jww h ASP 42 CO 0.00 0.32 0.32 -0.37 -3.12 0.00 0.00 179.24 176.40 2jww h VAL 43 N -0.66 1.17 -0.57 -1.35 -1.51 -1.39 -2.25 116.25 109.69 2jww h VAL 43 Ca -0.02 -0.42 0.17 0.00 -1.23 0.00 0.00 66.70 65.20 2jww h VAL 43 Cb 0.50 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 2jww h VAL 43 CO 0.03 0.19 0.53 0.11 -1.23 0.00 0.00 177.57 177.19 2jww h LYS 44 N 0.80 0.00 -0.36 5.19 1.57 -0.64 -0.59 116.57 122.54 2jww h LYS 44 Ca 0.21 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.09 2jww h LYS 44 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2jww h LYS 44 CO -0.04 0.00 0.27 0.87 -0.57 0.00 0.00 179.45 179.99 2jww h LYS 45 N 0.00 0.00 0.08 3.15 6.56 -1.46 0.64 116.57 125.54 2jww h LYS 45 Ca 0.27 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.59 2jww h LYS 45 Cb 1.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.97 2jww h LYS 45 CO -0.00 0.00 -1.29 -0.24 -2.06 0.00 0.00 179.45 175.85 2jww h VAL 46 N 0.00 1.41 -0.65 0.50 3.04 -1.31 -3.26 116.25 115.98 2jww h VAL 46 Ca 0.17 -3.06 0.11 0.00 -1.01 0.00 0.00 66.70 62.91 2jww h VAL 46 Cb 0.72 2.82 -0.04 0.00 -2.01 0.00 0.00 31.29 32.78 2jww h VAL 46 CO -0.00 0.86 0.44 0.15 -1.01 0.00 0.00 177.57 178.01 2jww h PHE 47 N 0.05 0.45 0.00 3.17 3.57 0.23 0.76 116.94 125.17 2jww h PHE 47 Ca -0.14 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 2jww h PHE 47 Cb 1.93 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 2jww h PHE 47 CO 0.04 0.20 -0.45 1.25 -2.23 0.00 0.00 178.31 177.12 2jww h HIS 48 N 0.41 0.00 0.01 0.41 2.76 -1.27 1.43 115.15 118.90 2jww h HIS 48 Ca 0.31 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 2jww h HIS 48 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2jww h HIS 48 CO -0.00 0.45 -0.08 0.82 -1.30 0.00 0.00 177.93 177.82 2jww h ILE 49 N 0.00 1.70 0.17 6.26 1.08 0.06 -2.85 117.51 123.93 2jww h ILE 49 Ca -0.00 -2.16 -0.27 0.00 -0.39 0.00 0.00 64.86 62.04 2jww h ILE 49 Cb 0.96 3.15 0.03 0.00 -3.07 0.00 0.00 36.82 37.90 2jww h ILE 49 CO 0.06 0.57 -1.15 -0.07 -0.69 0.00 0.00 178.15 176.87 2jww h LEU 50 N -0.83 0.72 -4.63 1.44 3.38 0.20 -3.34 115.31 112.25 2jww h LEU 50 Ca -0.01 -0.89 -0.69 0.00 0.09 0.00 0.00 57.88 56.37 2jww h LEU 50 Cb 0.98 -0.23 -0.32 0.00 0.09 0.00 0.00 40.66 41.17 2jww h LEU 50 CO 0.02 1.55 0.43 -0.67 0.09 0.00 0.00 178.44 179.86 2jww n ASP 51 N -3.90 6.63 -0.02 -0.43 -0.08 0.49 -4.74 116.55 114.49 2jww n ASP 51 Ca -0.15 -3.79 -0.13 0.00 -1.51 0.00 0.00 54.79 49.21 2jww n ASP 51 Cb 0.96 -0.84 -0.10 0.00 2.34 0.00 0.00 41.12 43.47 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 2.68 0.02 -0.13 -0.67 -0.00 -1.59 -3.35 116.57 113.53 2jww h LYS 52 Ca 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 61.13 2jww h LYS 52 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.72 2jww h LYS 52 CO 1.26 0.56 0.00 -0.40 -0.00 0.00 0.00 179.45 180.87 2jww n ASP 53 N -4.81 3.08 -0.86 7.07 5.68 -1.26 -4.61 116.55 120.84 2jww n ASP 53 Ca -0.09 -3.02 0.06 0.00 -0.50 0.00 0.00 54.79 51.24 2jww n ASP 53 Cb 0.28 -0.47 0.19 0.00 -1.14 0.00 0.00 41.12 39.98 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jww n LYS 54 N -0.95 2.20 -2.75 0.11 5.02 -1.26 -4.90 118.16 115.63 2jww n LYS 54 Ca 0.18 -1.50 -0.16 0.00 -2.02 0.00 0.00 58.31 54.81 2jww n LYS 54 Cb 0.75 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 2jww n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jww n SER 55 N 0.60 -4.73 0.00 4.39 7.64 -1.26 -2.25 113.62 118.01 2jww n SER 55 Ca 0.14 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2jww n SER 55 Cb 0.44 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 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 -1.27 0.49 2.82 0.23 0.00 -1.26 -4.97 105.19 101.22 2jww n GLY 56 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.34 0.03 -0.06 1.61 0.08 -0.95 -2.10 117.98 114.24 2jww s PHE 57 Ca 0.00 0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 2jww s PHE 57 Cb 0.00 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.27 2jww s PHE 57 CO 0.00 -0.05 0.06 0.42 -0.10 0.00 0.00 175.22 175.55 2jww s ILE 58 N 0.61 4.74 -0.16 0.64 1.01 -1.16 -4.67 121.20 122.21 2jww s ILE 58 Ca -0.05 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2jww s ILE 58 Cb -0.07 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2jww s ILE 58 CO -0.02 0.50 0.07 -1.61 0.00 0.00 0.00 174.94 173.89 2jww s GLU 59 N -1.27 3.75 0.35 2.79 2.02 -1.26 -3.55 118.70 121.53 2jww s GLU 59 Ca 0.18 -0.31 0.29 0.00 0.02 0.00 0.00 54.97 55.15 2jww s GLU 59 Cb -0.12 -3.16 1.13 0.00 0.10 0.00 0.00 34.13 32.09 2jww s GLU 59 CO 0.07 0.43 1.10 -0.85 0.02 0.00 0.00 175.26 176.03 2jww n GLU 60 N 3.05 -0.01 0.04 1.61 0.28 -1.26 0.18 120.64 124.52 2jww n GLU 60 Ca -0.17 0.82 -0.12 0.00 -0.16 0.00 0.00 57.16 57.52 2jww n GLU 60 Cb 0.53 -1.75 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 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 -0.12 1.43 -1.84 3.32 -1.97 -3.23 116.42 114.01 2jww h ASP 61 Ca 0.64 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2jww h ASP 61 Cb 2.32 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.90 2jww h ASP 61 CO -0.17 0.37 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.06 2jww h GLU 62 N -0.64 0.00 -0.15 3.56 4.39 0.39 -3.35 114.58 118.77 2jww h GLU 62 Ca -0.01 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.74 2jww h GLU 62 Cb 0.51 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 2jww h GLU 62 CO 0.02 0.00 -0.30 1.25 -1.16 0.00 0.00 179.01 178.82 2jww h LEU 63 N 0.00 -0.94 -1.88 1.33 7.12 0.18 0.86 115.31 121.98 2jww h LEU 63 Ca 0.00 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.15 2jww h LEU 63 Cb 0.88 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 41.42 2jww h LEU 63 CO 0.00 -0.34 0.00 1.23 -0.13 0.00 0.00 178.44 179.20 2jww h GLY 64 N -0.36 0.00 0.00 3.75 0.00 -1.69 -0.04 103.07 104.73 2jww h GLY 64 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2jww h GLY 64 CO -0.36 0.00 -0.65 0.23 0.00 0.00 0.00 176.54 175.76 2jww h SER 65 N 0.00 0.00 0.38 0.19 0.87 -1.23 -3.34 113.55 110.42 2jww h SER 65 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2jww h SER 65 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2jww h SER 65 CO 0.00 0.98 0.00 -0.29 -0.53 0.00 0.00 176.83 176.99 2jww h ILE 66 N -1.00 0.00 -0.19 2.23 6.09 0.69 -2.56 117.51 122.78 2jww h ILE 66 Ca -0.11 -0.17 0.05 0.00 -1.37 0.00 0.00 64.86 63.26 2jww h ILE 66 Cb 0.74 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 2jww h ILE 66 CO -0.07 0.00 0.37 -0.07 -3.07 0.00 0.00 178.15 175.31 2jww h LEU 67 N 0.00 0.00 -1.25 2.19 4.07 -1.14 -1.68 115.31 117.49 2jww h LEU 67 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jww h LEU 67 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2jww h LEU 67 CO 0.00 0.00 0.51 0.11 -1.08 0.00 0.00 178.44 177.98 2jww h LYS 68 N 0.00 0.00 -0.92 1.13 1.57 -1.70 -1.90 116.57 114.75 2jww h LYS 68 Ca 0.09 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.05 2jww h LYS 68 Cb 0.83 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.97 2jww h LYS 68 CO -0.00 0.00 -0.25 0.78 -0.57 0.00 0.00 179.45 179.41 2jww h GLY 69 N 0.00 0.58 0.00 3.86 0.00 -1.59 1.28 103.07 107.19 2jww h GLY 69 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 47.33 47.37 2jww h GLY 69 CO 0.00 -0.33 -1.91 1.97 0.00 0.00 0.00 176.54 176.27 2jww n PHE 70 N -5.57 0.13 1.08 5.60 -1.74 -0.76 -4.53 117.46 111.66 2jww n PHE 70 Ca 0.13 0.06 0.07 0.00 -0.56 0.00 0.00 57.45 57.15 2jww n PHE 70 Cb 0.45 -0.86 0.42 0.00 1.52 0.00 0.00 39.48 41.02 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 -4.34 0.00 0.01 5.98 3.41 -0.93 -4.09 113.62 113.66 2jww n SER 71 Ca -0.39 -0.64 0.20 0.00 -0.26 0.00 0.00 58.87 57.78 2jww n SER 71 Cb 0.74 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 65.18 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 -1.65 4.04 4.64 0.15 0.23 113.55 120.95 2jww h SER 72 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2jww h SER 72 Cb 0.00 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 61.67 2jww h SER 72 CO 0.00 0.00 -0.73 -0.90 -0.87 0.00 0.00 176.83 174.33 2jww n ASP 73 N -3.20 4.58 0.00 4.97 5.75 -1.26 -4.92 116.55 122.47 2jww n ASP 73 Ca 0.13 -3.69 0.00 0.00 -0.01 0.00 0.00 54.79 51.22 2jww n ASP 73 Cb 1.09 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jww n ALA 74 N -0.43 0.00 -3.05 2.12 0.00 0.79 -4.38 120.51 115.56 2jww n ALA 74 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.80 2jww n ALA 74 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.04 -4.22 0.00 1.74 -1.22 -5.05 116.66 107.94 2jww n ARG 75 Ca 0.00 -0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 56.73 2jww n ARG 75 Cb 0.00 0.15 -0.12 0.00 -1.02 0.00 0.00 32.46 31.46 2jww n ARG 75 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2jww s ASP 76 N -1.12 2.07 -0.26 0.55 -4.77 -1.26 -4.74 116.67 107.14 2jww s ASP 76 Ca 0.01 -0.65 -0.29 0.00 -3.30 0.00 0.00 52.55 48.32 2jww s ASP 76 Cb -0.00 -0.09 -0.02 0.00 -1.09 0.00 0.00 42.92 41.72 2jww s ASP 76 CO 0.01 -0.02 1.70 -0.22 0.70 0.00 0.00 175.17 177.34 2jww s LEU 77 N -1.83 3.74 0.00 2.11 2.96 -1.25 -4.89 118.68 119.52 2jww s LEU 77 Ca 0.02 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 2jww s LEU 77 Cb -0.10 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2jww s LEU 77 CO 0.03 -1.44 0.00 -0.24 -1.32 0.00 0.00 176.35 173.38 2jww n SER 78 N 9.18 0.26 -0.17 3.68 2.88 -1.26 -4.11 113.62 124.09 2jww n SER 78 Ca 0.21 -0.52 -0.04 0.00 -1.33 0.00 0.00 58.87 57.18 2jww n SER 78 Cb 0.46 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.94 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jww h ALA 79 N -0.06 0.12 -0.49 -1.46 0.00 -1.97 1.58 119.26 116.97 2jww h ALA 79 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2jww h ALA 79 Cb 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2jww h ALA 79 CO 0.00 -0.57 0.07 -0.22 0.00 0.00 0.00 179.25 178.53 2jww h LYS 80 N -0.12 0.19 0.00 0.00 1.63 -1.93 0.66 116.57 117.00 2jww h LYS 80 Ca 0.24 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 2jww h LYS 80 Cb 0.49 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2jww h LYS 80 CO -0.59 0.13 -0.31 0.93 -3.45 0.00 0.00 179.45 176.16 2jww h GLU 81 N 0.20 0.00 0.07 1.90 4.39 -1.25 1.08 114.58 120.97 2jww h GLU 81 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2jww h GLU 81 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2jww h GLU 81 CO -0.34 0.31 -0.03 1.15 -1.16 0.00 0.00 179.01 178.93 2jww h THR 82 N 0.00 1.00 0.00 1.13 2.02 0.44 1.72 112.91 119.22 2jww h THR 82 Ca -0.00 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.78 2jww h THR 82 Cb 0.86 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2jww h THR 82 CO 0.04 0.06 -0.86 0.11 0.37 0.00 0.00 175.52 175.24 2jww h LYS 83 N -0.19 0.02 0.00 6.66 1.57 -1.07 -2.31 116.57 121.25 2jww h LYS 83 Ca -0.01 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2jww h LYS 83 Cb 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2jww h LYS 83 CO 0.02 0.86 -0.56 1.15 -0.57 0.00 0.00 179.45 180.34 2jww h THR 84 N 0.01 0.39 0.00 -0.16 2.02 0.15 -3.33 112.91 111.98 2jww h THR 84 Ca -0.01 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 2jww h THR 84 Cb 1.51 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2jww h THR 84 CO 0.11 0.13 -0.05 -0.07 0.37 0.00 0.00 175.52 176.01 2jww h LEU 85 N -1.00 0.00 0.09 2.58 -0.00 0.23 -2.76 115.31 114.45 2jww h LEU 85 Ca -0.09 -0.67 -0.00 0.00 -0.00 0.00 0.00 57.88 57.12 2jww h LEU 85 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2jww h LEU 85 CO -0.05 0.86 -0.04 0.24 -0.00 0.00 0.00 178.44 179.44 2jww h MET 86 N -1.00 -0.12 -0.10 1.13 2.86 -0.87 0.23 114.93 117.05 2jww h MET 86 Ca -0.01 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2jww h MET 86 Cb 0.70 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 2jww h MET 86 CO -0.01 -0.03 0.11 0.00 1.06 0.00 0.00 176.91 178.04 2jww h ALA 87 N 0.73 1.70 0.00 6.32 0.00 -1.53 0.11 119.26 126.59 2jww h ALA 87 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jww h ALA 87 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jww h ALA 87 CO 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.05 2jww h ALA 88 N 1.87 0.00 -0.87 0.00 0.00 -0.93 -3.23 119.26 116.10 2jww h ALA 88 Ca 0.05 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2jww h ALA 88 Cb 0.28 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2jww h ALA 88 CO -0.00 0.05 0.58 0.78 0.00 0.00 0.00 179.25 180.66 2jww h GLY 89 N -0.45 0.75 -3.72 0.00 0.00 -0.55 0.11 103.07 99.21 2jww h GLY 89 Ca 0.00 -0.17 -0.49 0.00 0.00 0.00 0.00 47.33 46.67 2jww h GLY 89 CO 0.00 0.01 0.64 1.34 0.00 0.00 0.00 176.54 178.52 2jww n ASP 90 N -4.48 6.51 -0.34 0.19 2.03 0.38 -3.27 116.55 117.57 2jww n ASP 90 Ca 0.18 -3.42 0.27 0.00 0.52 0.00 0.00 54.79 52.34 2jww n ASP 90 Cb 0.69 -0.97 0.42 0.00 -0.72 0.00 0.00 41.12 40.54 2jww n ASP 90 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2jww n LYS 91 N -0.41 -0.01 0.33 -0.67 0.00 0.38 0.15 118.16 117.93 2jww n LYS 91 Ca 0.47 0.66 0.18 0.00 0.00 0.00 0.00 58.31 59.63 2jww n LYS 91 Cb 0.76 -1.40 0.99 0.00 0.00 0.00 0.00 35.03 35.38 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 -1.57 3.14 1.82 -1.86 -3.46 116.42 114.49 2jww h ASP 92 Ca 0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 2jww h ASP 92 Cb 1.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.88 2jww h ASP 92 CO -0.13 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.11 2jww n GLY 93 N -1.16 0.50 0.00 -0.78 0.00 0.39 -5.01 105.19 99.14 2jww n GLY 93 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.61 0.38 0.00 1.61 8.00 -1.24 -5.00 116.55 119.68 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 0.41 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.52 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 1.18 2.93 3.48 0.44 0.00 -1.26 -4.99 105.19 106.97 2jww n GLY 95 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.18 2.18 -0.35 1.61 1.02 -1.26 -4.58 119.74 118.18 2jww s LYS 96 Ca 0.00 -0.92 -0.10 0.00 0.02 0.00 0.00 55.97 54.97 2jww s LYS 96 Cb 0.00 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2jww s LYS 96 CO 0.00 0.56 0.18 0.42 -0.92 0.00 0.00 175.35 175.59 2jww s ILE 97 N -0.92 4.49 0.00 2.17 1.01 -1.23 -4.69 121.20 122.02 2jww s ILE 97 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2jww s ILE 97 Cb -0.11 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2jww s ILE 97 CO 0.05 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2jww n GLY 98 N 4.97 1.05 0.26 6.18 0.00 -1.26 -2.96 105.19 113.43 2jww n GLY 98 Ca -0.12 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.03 1.28 0.13 1.61 3.04 -1.83 -1.65 116.25 118.80 2jww h VAL 99 Ca 0.00 -1.42 -0.01 0.00 -1.01 0.00 0.00 66.70 64.27 2jww h VAL 99 Cb 0.00 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2jww h VAL 99 CO 0.00 0.47 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.64 2jww h GLU 100 N 0.68 -0.16 -0.92 4.17 4.39 -1.94 -3.27 114.58 117.52 2jww h GLU 100 Ca 0.08 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.92 2jww h GLU 100 Cb 0.81 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.42 2jww h GLU 100 CO 0.07 0.31 0.59 0.93 -1.16 0.00 0.00 179.01 179.75 2jww h GLU 101 N -0.82 0.78 -0.43 2.33 3.07 -1.81 0.14 114.58 117.84 2jww h GLU 101 Ca -0.02 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2jww h GLU 101 Cb 0.55 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2jww h GLU 101 CO 0.03 0.52 0.49 0.35 -1.40 0.00 0.00 179.01 178.99 2jww h PHE 102 N 0.80 0.00 -0.08 4.33 3.57 -1.35 0.25 116.94 124.47 2jww h PHE 102 Ca 0.45 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.85 2jww h PHE 102 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2jww h PHE 102 CO -0.00 0.00 -0.34 0.77 -2.23 0.00 0.00 178.31 176.51 2jww h SER 103 N 0.00 0.43 -0.77 0.41 0.02 -0.82 -3.19 113.55 109.62 2jww h SER 103 Ca 0.20 -0.64 0.06 0.00 -0.84 0.00 0.00 61.79 60.57 2jww h SER 103 Cb 1.18 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 2jww h SER 103 CO -0.00 1.00 0.51 0.74 -1.14 0.00 0.00 176.83 177.94 2jww h THR 104 N -0.11 1.04 -0.86 -2.27 2.02 -0.56 -0.40 112.91 111.77 2jww h THR 104 Ca -0.02 -0.29 0.11 0.00 0.77 0.00 0.00 66.41 66.98 2jww h THR 104 Cb 0.99 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 2jww h THR 104 CO 0.07 0.15 0.56 0.25 0.37 0.00 0.00 175.52 176.92 2jww h LEU 105 N 0.83 0.72 -0.97 2.58 6.46 -1.39 0.71 115.31 124.25 2jww h LEU 105 Ca 0.33 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.06 2jww h LEU 105 Cb 0.23 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2jww h LEU 105 CO -0.11 0.41 0.13 0.58 -0.62 0.00 0.00 178.44 178.83 2jww h VAL 106 N 0.79 1.23 0.00 1.05 2.07 -1.10 -2.33 116.25 117.97 2jww h VAL 106 Ca 0.41 -0.85 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 2jww h VAL 106 Cb 0.50 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2jww h VAL 106 CO -0.17 0.32 -0.80 0.00 0.02 0.00 0.00 177.57 176.94 2jww h ALA 107 N 1.30 0.48 0.00 1.67 0.00 -0.74 -3.36 119.26 118.61 2jww h ALA 107 Ca 0.18 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jww h ALA 107 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jww h ALA 107 CO -0.00 0.99 -0.00 0.93 0.00 0.00 0.00 179.25 181.17 2jww h GLU 108 N 0.00 -0.00 0.00 0.00 4.39 0.81 -3.52 114.58 116.26 2jww h GLU 108 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jww h GLU 108 Cb 1.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2jww h GLU 108 CO 0.10 -0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.40