#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 1.24 -0.11 1.43 2.00 -1.26 -4.19 117.12 116.23 2jww n MET 2 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 57.70 56.26 2jww n MET 2 Cb 0.00 -2.48 -0.14 0.00 0.00 0.00 0.00 33.22 30.60 2jww n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jww n THR 3 N 5.17 1.41 0.06 2.03 -1.04 -1.26 -3.66 114.28 117.00 2jww n THR 3 Ca 0.37 -0.72 0.06 0.00 -2.04 0.00 0.00 64.05 61.72 2jww n THR 3 Cb 0.21 -0.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.78 2jww n THR 3 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jww n ASP 4 N -2.97 0.79 -0.03 8.00 9.92 -1.26 -4.16 116.55 126.84 2jww n ASP 4 Ca -0.38 0.32 -0.01 0.00 -0.53 0.00 0.00 54.79 54.19 2jww n ASP 4 Cb 1.07 0.43 -0.00 0.00 -0.64 0.00 0.00 41.12 41.98 2jww n ASP 4 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2jww h LEU 5 N 0.00 0.00-10.61 0.64 3.38 -1.87 -3.48 115.31 103.36 2jww h LEU 5 Ca -0.08 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.44 2jww h LEU 5 Cb 1.27 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.10 2jww h LEU 5 CO 0.02 0.36 0.13 -0.76 0.09 0.00 0.00 178.44 178.28 2jww s LEU 6 N -6.58 2.98 -0.42 1.67 1.43 -1.24 -4.96 118.68 111.56 2jww s LEU 6 Ca -0.04 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.82 2jww s LEU 6 Cb 0.01 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2jww s LEU 6 CO 0.07 -1.65 1.35 -0.44 0.23 0.00 0.00 176.35 175.91 2jww s SER 7 N -4.59 6.41 0.36 2.29 0.01 -1.25 -4.54 113.70 112.38 2jww s SER 7 Ca 0.62 0.78 0.06 0.00 1.31 0.00 0.00 55.95 58.72 2jww s SER 7 Cb -0.08 -2.54 0.75 0.00 0.21 0.00 0.00 66.02 64.36 2jww s SER 7 CO 0.44 -1.38 1.95 0.00 0.41 0.00 0.00 173.24 174.66 2jww h ALA 8 N 10.34 1.72 -0.22 1.44 0.00 -1.81 -1.22 119.26 129.50 2jww h ALA 8 Ca -0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2jww h ALA 8 Cb 1.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jww h ALA 8 CO 1.09 0.15 -0.16 1.05 0.00 0.00 0.00 179.25 181.38 2jww h GLU 9 N 0.74 0.50 0.24 0.00 4.11 -1.94 -2.45 114.58 115.78 2jww h GLU 9 Ca 0.32 -0.24 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2jww h GLU 9 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jww h GLU 9 CO -0.11 0.81 -0.11 -0.44 0.07 0.00 0.00 179.01 179.23 2jww h ASP 10 N 0.20 -0.27 -0.12 3.06 5.19 -1.69 -0.82 116.42 121.97 2jww h ASP 10 Ca 0.04 -0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2jww h ASP 10 Cb 0.69 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 2jww h ASP 10 CO 0.04 -0.10 -0.12 0.40 -3.12 0.00 0.00 179.24 176.35 2jww h ILE 11 N -0.43 0.67 -0.14 0.35 2.04 -1.32 1.06 117.51 119.74 2jww h ILE 11 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2jww h ILE 11 Cb 0.32 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2jww h ILE 11 CO 0.05 0.00 0.02 0.50 0.00 0.00 0.00 178.15 178.72 2jww h LYS 12 N -0.14 0.08 0.00 2.37 3.11 -1.41 1.02 116.57 121.60 2jww h LYS 12 Ca 0.08 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 2jww h LYS 12 Cb 0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2jww h LYS 12 CO -0.21 0.05 -0.00 0.87 -2.81 0.00 0.00 179.45 177.35 2jww h LYS 13 N 0.08 -0.01 0.13 1.90 1.57 -0.74 -1.99 116.57 117.52 2jww h LYS 13 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2jww h LYS 13 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2jww h LYS 13 CO -0.09 0.16 -0.06 0.00 -0.57 0.00 0.00 179.45 178.89 2jww h ALA 14 N 0.83 -0.18 -0.74 3.86 0.00 0.13 1.17 119.26 124.33 2jww h ALA 14 Ca -0.00 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2jww h ALA 14 Cb 0.17 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2jww h ALA 14 CO 0.00 -0.45 0.49 0.82 0.00 0.00 0.00 179.25 180.11 2jww h ILE 15 N -0.48 0.91 0.05 0.00 2.04 0.11 -0.41 117.51 119.72 2jww h ILE 15 Ca -0.02 -0.21 -0.32 0.00 1.00 0.00 0.00 64.86 65.31 2jww h ILE 15 Cb 0.38 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2jww h ILE 15 CO 0.03 0.11 -1.80 0.61 0.00 0.00 0.00 178.15 177.10 2jww n GLY 16 N -1.47 -0.65 0.31 5.37 0.00 -0.75 -3.98 105.19 104.03 2jww n GLY 16 Ca 0.13 -0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.30 1.07 -1.73 4.61 0.00 0.15 -3.38 119.26 119.68 2jww h ALA 17 Ca -0.44 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.81 2jww h ALA 17 Cb 1.67 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.30 2jww h ALA 17 CO -0.11 0.02 0.45 -0.06 0.00 0.00 0.00 179.25 179.55 2jww s PHE 18 N -4.08 2.78 -0.20 0.00 0.08 -0.17 -4.84 117.98 111.54 2jww s PHE 18 Ca -0.03 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.15 2jww s PHE 18 Cb 0.12 -4.23 -0.20 0.00 -0.57 0.00 0.00 43.02 38.15 2jww s PHE 18 CO 0.47 -1.55 0.17 -2.37 -0.10 0.00 0.00 175.22 171.83 2jww n THR 19 N 5.80 1.59 -0.11 0.64 5.66 -1.26 -4.50 114.28 122.11 2jww n THR 19 Ca -0.04 -0.23 -0.16 0.00 -3.05 0.00 0.00 64.05 60.57 2jww n THR 19 Cb 0.45 -1.93 -0.05 0.00 -1.55 0.00 0.00 70.33 67.24 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 -3.42 0.98 -0.11 1.79 0.00 -1.26 -4.03 120.51 114.46 2jww n ALA 20 Ca -0.35 -0.90 -0.04 0.00 0.00 0.00 0.00 53.44 52.14 2jww n ALA 20 Cb 0.80 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.99 -0.32 0.00 0.00 0.00 -1.90 0.89 119.26 116.94 2jww h ALA 21 Ca -0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jww h ALA 21 Cb 1.20 1.02 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2jww h ALA 21 CO -0.14 -0.45 0.00 0.22 0.00 0.00 0.00 179.25 178.88 2jww h ASP 22 N -0.06 0.00 0.19 0.00 1.82 -1.79 0.89 116.42 117.47 2jww h ASP 22 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2jww h ASP 22 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2jww h ASP 22 CO -0.29 0.00 -0.09 -1.28 -1.61 0.00 0.00 179.24 175.97 2jww h SER 23 N 0.00 -0.21 0.18 2.28 0.87 0.50 -3.32 113.55 113.85 2jww h SER 23 Ca 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2jww h SER 23 Cb 0.09 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2jww h SER 23 CO 0.00 0.17 -0.94 2.22 -0.53 0.00 0.00 176.83 177.76 2jww n PHE 24 N -5.03 0.04 -3.13 2.24 1.16 0.58 -4.68 117.46 108.64 2jww n PHE 24 Ca -0.09 0.01 0.03 0.00 -1.87 0.00 0.00 57.45 55.53 2jww n PHE 24 Cb 0.24 -0.15 -0.00 0.00 -1.61 0.00 0.00 39.48 37.96 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2jww s ASP 25 N -3.21 -1.28 0.14 5.98 2.15 0.31 -4.62 116.67 116.14 2jww s ASP 25 Ca 0.07 -0.18 0.21 0.00 0.43 0.00 0.00 52.55 53.08 2jww s ASP 25 Cb 0.16 1.72 0.85 0.00 -0.30 0.00 0.00 42.92 45.35 2jww s ASP 25 CO 0.82 -0.20 1.64 1.41 -0.17 0.00 0.00 175.17 178.67 2jww n HIS 26 N 4.87 0.47 -0.17 -5.34 8.25 -1.25 -3.70 115.22 118.35 2jww n HIS 26 Ca 0.08 0.18 -0.06 0.00 -0.26 0.00 0.00 57.72 57.66 2jww n HIS 26 Cb 0.57 -0.79 -0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 -0.19 -0.27 -0.41 1.57 -1.93 0.90 116.57 116.24 2jww h LYS 27 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jww h LYS 27 Cb 0.36 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2jww h LYS 27 CO 0.00 -0.12 0.15 0.87 -0.57 0.00 0.00 179.45 179.77 2jww h LYS 28 N -0.19 0.30 -0.87 3.15 6.56 -1.94 0.71 116.57 124.28 2jww h LYS 28 Ca 0.21 -0.02 0.21 0.00 -1.06 0.00 0.00 60.65 60.00 2jww h LYS 28 Cb 0.54 -0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.08 2jww h LYS 28 CO -0.62 0.20 0.59 0.35 -2.06 0.00 0.00 179.45 177.91 2jww h PHE 29 N 0.31 0.36 -0.35 -1.35 3.57 -0.97 0.37 116.94 118.88 2jww h PHE 29 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2jww h PHE 29 Cb 0.02 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2jww h PHE 29 CO -0.09 0.09 0.22 0.35 -2.23 0.00 0.00 178.31 176.65 2jww h PHE 30 N 0.27 0.45 0.15 0.41 3.57 0.31 1.30 116.94 123.41 2jww h PHE 30 Ca 0.44 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.67 2jww h PHE 30 Cb 1.30 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.90 2jww h PHE 30 CO -0.00 0.30 -1.34 1.96 -2.23 0.00 0.00 178.31 177.00 2jww h GLN 31 N 0.48 0.31 -0.08 1.11 4.20 -0.18 -2.70 115.11 118.25 2jww h GLN 31 Ca 0.13 -0.53 -0.15 0.00 0.06 0.00 0.00 58.65 58.15 2jww h GLN 31 Cb -0.03 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2jww h GLN 31 CO -0.03 1.25 -0.62 0.52 -0.67 0.00 0.00 178.83 179.29 2jww h MET 32 N -0.21 0.29 0.00 1.46 2.86 -0.83 -3.11 114.93 115.39 2jww h MET 32 Ca -0.27 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 2jww h MET 32 Cb 1.83 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.52 2jww h MET 32 CO 0.12 0.82 -0.12 -0.24 1.06 0.00 0.00 176.91 178.55 2jww h VAL 33 N 0.22 0.47 0.00 -2.22 3.04 0.15 -3.42 116.25 114.49 2jww h VAL 33 Ca -0.01 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2jww h VAL 33 Cb 1.14 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2jww h VAL 33 CO 0.10 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 2jww n GLY 34 N -0.52 0.89 0.26 3.17 0.00 -1.18 -3.87 105.19 103.94 2jww n GLY 34 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 0.35 0.00 0.99 3.38 -1.73 -1.29 115.31 117.01 2jww h LEU 35 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jww h LEU 35 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jww h LEU 35 CO 0.00 0.45 -0.79 0.29 0.09 0.00 0.00 178.44 178.48 2jww n LYS 36 N -4.29 0.35 -0.46 1.13 5.02 -1.23 -4.32 118.16 114.35 2jww n LYS 36 Ca 0.00 0.07 0.39 0.00 -2.02 0.00 0.00 58.31 56.75 2jww n LYS 36 Cb 0.24 -1.69 0.65 0.00 -0.02 0.00 0.00 35.03 34.21 2jww n LYS 36 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jww n LYS 37 N -2.17 -0.03 0.00 1.97 4.81 -0.49 -4.27 118.16 117.97 2jww n LYS 37 Ca 0.02 1.16 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 2jww n LYS 37 Cb 0.46 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2jww n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jww n LYS 38 N -4.52 0.00 -4.13 1.64 5.02 -1.26 -5.14 118.16 109.77 2jww n LYS 38 Ca 0.38 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 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 1.11 0.43 4.39 0.01 -1.26 -5.03 113.70 114.35 2jww s SER 39 Ca 0.00 -1.56 0.16 0.00 1.31 0.00 0.00 55.95 55.87 2jww s SER 39 Cb 0.00 0.65 0.99 0.00 0.21 0.00 0.00 66.02 67.86 2jww s SER 39 CO 0.00 -1.26 1.94 0.00 0.41 0.00 0.00 173.24 174.34 2jww h ALA 40 N 2.11 1.49 0.01 1.44 0.00 -1.91 -2.99 119.26 119.41 2jww h ALA 40 Ca -0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jww h ALA 40 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jww h ALA 40 CO 0.38 0.30 -0.01 0.38 0.00 0.00 0.00 179.25 180.30 2jww h ASP 41 N 0.00 -0.01 -0.02 0.00 3.04 -1.96 0.23 116.42 117.68 2jww h ASP 41 Ca -0.00 -0.19 0.03 0.00 -3.24 0.00 0.00 57.03 53.62 2jww h ASP 41 Cb 0.45 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.71 2jww h ASP 41 CO 0.03 0.18 -0.18 0.44 -2.04 0.00 0.00 179.24 177.68 2jww h ASP 42 N -0.21 -0.53 -0.49 4.15 3.32 -1.92 -1.34 116.42 119.40 2jww h ASP 42 Ca -0.00 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2jww h ASP 42 Cb 0.21 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2jww h ASP 42 CO 0.00 -0.24 0.28 -0.37 -1.72 0.00 0.00 179.24 177.20 2jww h VAL 43 N -0.28 1.16 -0.93 -1.35 -1.51 -1.49 -2.20 116.25 109.65 2jww h VAL 43 Ca 0.06 -0.39 0.27 0.00 -1.23 0.00 0.00 66.70 65.41 2jww h VAL 43 Cb 0.36 0.47 -0.04 0.00 -2.13 0.00 0.00 31.29 29.95 2jww h VAL 43 CO -0.19 0.17 0.69 0.50 -1.23 0.00 0.00 177.57 177.51 2jww h LYS 44 N 0.71 0.00 -0.10 5.19 3.64 0.64 -0.95 116.57 125.70 2jww h LYS 44 Ca 0.18 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2jww h LYS 44 Cb 0.02 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2jww h LYS 44 CO -0.03 0.00 -0.08 0.87 -2.27 0.00 0.00 179.45 177.94 2jww h LYS 45 N 0.00 -0.08 -0.37 1.90 6.56 -1.25 0.35 116.57 123.67 2jww h LYS 45 Ca 0.44 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 60.14 2jww h LYS 45 Cb 1.81 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.47 2jww h LYS 45 CO -0.00 -0.06 0.32 -0.24 -2.06 0.00 0.00 179.45 177.41 2jww h VAL 46 N -0.09 0.57 -0.46 0.50 3.04 -1.35 -1.66 116.25 116.81 2jww h VAL 46 Ca 0.06 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.84 2jww h VAL 46 Cb 0.18 0.76 -0.08 0.00 -2.01 0.00 0.00 31.29 30.14 2jww h VAL 46 CO -0.15 0.00 -0.05 0.15 -1.01 0.00 0.00 177.57 176.51 2jww h PHE 47 N 0.00 -0.12 0.00 3.17 3.57 -0.96 0.29 116.94 122.89 2jww h PHE 47 Ca 0.18 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2jww h PHE 47 Cb 0.82 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2jww h PHE 47 CO 0.00 -0.15 -0.28 1.25 -2.23 0.00 0.00 178.31 176.90 2jww h HIS 48 N 0.06 0.00 -0.03 0.41 2.76 -1.35 1.90 115.15 118.90 2jww h HIS 48 Ca 0.23 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2jww h HIS 48 Cb 0.34 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 2jww h HIS 48 CO -0.34 0.28 -0.02 0.82 -1.30 0.00 0.00 177.93 177.37 2jww h ILE 49 N 0.00 1.37 0.00 6.26 2.04 -0.76 -2.10 117.51 124.32 2jww h ILE 49 Ca -0.00 -1.12 -0.18 0.00 1.00 0.00 0.00 64.86 64.56 2jww h ILE 49 Cb 0.60 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 2jww h ILE 49 CO 0.04 0.30 -1.29 0.17 0.00 0.00 0.00 178.15 177.36 2jww h LEU 50 N -0.38 0.00 -0.71 1.44 8.10 -0.36 -3.34 115.31 120.05 2jww h LEU 50 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2jww h LEU 50 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2jww h LEU 50 CO 0.01 0.64 -0.14 -0.67 -4.11 0.00 0.00 178.44 174.17 2jww n ASP 51 N -2.98 1.25 -0.35 0.17 -0.08 0.64 -4.30 116.55 110.91 2jww n ASP 51 Ca -0.08 -1.17 0.23 0.00 -1.51 0.00 0.00 54.79 52.26 2jww n ASP 51 Cb 0.86 0.07 0.47 0.00 2.34 0.00 0.00 41.12 44.86 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 1.74 0.40 -0.41 -0.67 2.10 -1.50 0.32 116.57 118.54 2jww h LYS 52 Ca 0.00 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 2jww h LYS 52 Cb 0.51 -0.09 -0.09 0.00 -0.90 0.00 0.00 32.23 31.65 2jww h LYS 52 CO 0.00 0.26 0.04 -0.25 -2.00 0.00 0.00 179.45 177.50 2jww n ASP 53 N -4.83 3.20 -0.30 7.07 8.00 -1.26 -4.44 116.55 124.00 2jww n ASP 53 Ca 0.29 -3.48 0.03 0.00 0.71 0.00 0.00 54.79 52.33 2jww n ASP 53 Cb 0.92 -0.63 0.08 0.00 -0.02 0.00 0.00 41.12 41.46 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jww n LYS 54 N -0.87 2.90 -1.35 -1.24 4.76 0.11 -4.97 118.16 117.49 2jww n LYS 54 Ca 0.33 -1.79 -0.13 0.00 -2.87 0.00 0.00 58.31 53.84 2jww n LYS 54 Cb 1.08 -1.15 -0.06 0.00 -1.84 0.00 0.00 35.03 33.06 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 -0.09 -4.92 0.00 4.39 3.41 -1.23 -0.94 113.62 114.25 2jww n SER 55 Ca 0.06 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2jww n SER 55 Cb 0.35 -3.99 0.00 0.00 -0.26 0.00 0.00 64.21 60.31 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 -0.02 0.33 2.83 5.00 0.00 -1.25 -5.06 105.19 107.02 2jww n GLY 56 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 0.16 -0.19 1.61 0.40 -0.12 -4.28 117.98 113.57 2jww s PHE 57 Ca 0.00 0.04 -0.08 0.00 -0.60 0.00 0.00 56.93 56.29 2jww s PHE 57 Cb 0.00 -0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 2jww s PHE 57 CO 0.00 -0.08 0.08 0.42 0.70 0.00 0.00 175.22 176.34 2jww s ILE 58 N 0.71 4.91 -0.00 0.64 1.01 -0.65 -4.71 121.20 123.10 2jww s ILE 58 Ca -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2jww s ILE 58 Cb -0.09 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2jww s ILE 58 CO -0.02 0.45 0.11 -0.70 0.00 0.00 0.00 174.94 174.78 2jww s GLU 59 N 0.38 3.15 0.28 2.79 2.12 -1.26 0.19 118.70 126.35 2jww s GLU 59 Ca 0.04 -0.46 -0.00 0.00 0.36 0.00 0.00 54.97 54.91 2jww s GLU 59 Cb -0.12 -2.91 0.64 0.00 0.26 0.00 0.00 34.13 32.00 2jww s GLU 59 CO -0.00 0.65 1.64 1.05 -0.54 0.00 0.00 175.26 178.05 2jww h GLU 60 N 3.97 0.16 0.10 4.30 -0.00 -1.27 2.02 114.58 123.87 2jww h GLU 60 Ca -0.49 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 58.86 2jww h GLU 60 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 2jww h GLU 60 CO 0.64 0.10 -0.05 0.22 -0.00 0.00 0.00 179.01 179.92 2jww h ASP 61 N 0.16 -0.12 1.19 3.06 3.58 -1.95 -2.78 116.42 119.56 2jww h ASP 61 Ca 0.52 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2jww h ASP 61 Cb 1.03 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2jww h ASP 61 CO -0.69 0.07 0.00 -0.62 -2.88 0.00 0.00 179.24 175.13 2jww n GLU 62 N -5.07 0.17 -0.27 0.28 1.02 -0.21 -3.62 120.64 112.94 2jww n GLU 62 Ca -0.08 0.19 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 2jww n GLU 62 Cb 0.15 -1.72 0.11 0.00 -0.02 0.00 0.00 31.44 29.96 2jww n GLU 62 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jww h LEU 63 N 0.00 0.72 -1.76 -4.62 7.12 0.35 -0.22 115.31 116.89 2jww h LEU 63 Ca 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.99 2jww h LEU 63 Cb 0.60 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 2jww h LEU 63 CO 0.00 0.47 -0.15 1.23 -0.13 0.00 0.00 178.44 179.86 2jww h GLY 64 N 0.85 0.00 0.00 3.75 0.00 -1.62 -0.03 103.07 106.02 2jww h GLY 64 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2jww h GLY 64 CO -0.15 0.00 -0.12 1.76 0.00 0.00 0.00 176.54 178.02 2jww h SER 65 N 0.00 0.00 0.15 0.19 0.02 -1.41 -3.33 113.55 109.17 2jww h SER 65 Ca -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2jww h SER 65 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2jww h SER 65 CO 0.02 0.64 0.00 -0.29 -1.14 0.00 0.00 176.83 176.06 2jww h ILE 66 N -1.00 0.00 -0.47 3.27 6.09 -1.09 -2.33 117.51 121.98 2jww h ILE 66 Ca -0.01 -0.06 0.09 0.00 -1.37 0.00 0.00 64.86 63.51 2jww h ILE 66 Cb 0.27 0.70 -0.03 0.00 0.47 0.00 0.00 36.82 38.23 2jww h ILE 66 CO -0.01 0.00 0.32 0.25 -3.07 0.00 0.00 178.15 175.64 2jww h LEU 67 N 0.00 0.22 -1.53 2.19 7.12 -1.10 -1.69 115.31 120.51 2jww h LEU 67 Ca 0.00 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.07 2jww h LEU 67 Cb 0.07 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 2jww h LEU 67 CO 0.00 0.13 0.56 0.11 -0.13 0.00 0.00 178.44 179.12 2jww h LYS 68 N 0.24 0.00 -0.68 1.25 1.57 -1.62 -1.83 116.57 115.50 2jww h LYS 68 Ca 0.21 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.11 2jww h LYS 68 Cb 0.53 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 2jww h LYS 68 CO -0.04 0.00 -0.33 0.78 -0.57 0.00 0.00 179.45 179.29 2jww h GLY 69 N 0.00 0.00 0.16 3.86 0.00 -1.56 1.23 103.07 106.76 2jww h GLY 69 Ca 0.09 0.43 -0.39 0.00 0.00 0.00 0.00 47.33 47.46 2jww h GLY 69 CO -0.00 -0.22 -2.30 1.97 0.00 0.00 0.00 176.54 175.99 2jww n PHE 70 N -5.45 0.38 1.05 5.60 -1.74 -0.79 -4.32 117.46 112.19 2jww n PHE 70 Ca 0.06 0.09 0.08 0.00 -0.56 0.00 0.00 57.45 57.12 2jww n PHE 70 Cb 0.37 -1.05 0.48 0.00 1.52 0.00 0.00 39.48 40.79 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 -3.49 0.00 -0.10 5.98 3.41 -0.76 -3.84 113.62 114.83 2jww n SER 71 Ca -0.43 -0.55 0.26 0.00 -0.26 0.00 0.00 58.87 57.89 2jww n SER 71 Cb 0.98 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.53 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 0.46 4.04 0.87 0.14 1.44 113.55 120.49 2jww h SER 72 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2jww h SER 72 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2jww h SER 72 CO 0.00 0.00 -1.75 -0.67 -0.53 0.00 0.00 176.83 173.88 2jww n ASP 73 N -3.50 0.86 -1.24 6.23 -0.08 -1.25 -4.93 116.55 112.63 2jww n ASP 73 Ca 0.17 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 2jww n ASP 73 Cb 1.14 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.57 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jww n ALA 74 N -2.57 0.00 -1.60 -1.67 0.00 0.49 -4.81 120.51 110.35 2jww n ALA 74 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2jww n ALA 74 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 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 0.00 0.00 1.74 -1.25 -4.97 116.66 112.18 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 0.00 0.00 -4.52 0.55 5.68 -1.26 -4.81 116.55 112.19 2jww n ASP 76 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.05 2jww n ASP 76 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 2jww n ASP 76 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2jww n LEU 77 N 0.00 0.01 0.00 -2.12 0.00 -1.26 -4.88 117.00 108.75 2jww n LEU 77 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 56.01 55.28 2jww n LEU 77 Cb 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 43.42 42.48 2jww n LEU 77 CO 0.00 -1.64 0.15 -1.54 0.00 0.00 0.00 177.39 174.36 2jww n SER 78 N 10.71 -0.49 -0.20 1.96 3.41 -1.26 -3.99 113.62 123.76 2jww n SER 78 Ca 0.59 -0.90 -0.01 0.00 -0.26 0.00 0.00 58.87 58.29 2jww n SER 78 Cb 0.23 -0.20 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jww h ALA 79 N -2.04 0.35 -0.26 7.33 0.00 -1.96 0.80 119.26 123.49 2jww h ALA 79 Ca -0.08 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2jww h ALA 79 Cb 0.24 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2jww h ALA 79 CO 0.06 -0.45 -0.28 0.87 0.00 0.00 0.00 179.25 179.44 2jww h LYS 80 N -0.02 -0.28 0.00 0.00 1.57 -1.92 -0.52 116.57 115.40 2jww h LYS 80 Ca 0.29 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 2jww h LYS 80 Cb 0.46 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2jww h LYS 80 CO -0.63 -0.18 -0.40 0.93 -0.57 0.00 0.00 179.45 178.59 2jww h GLU 81 N -0.29 0.00 0.21 3.15 4.39 -1.49 1.37 114.58 121.93 2jww h GLU 81 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2jww h GLU 81 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jww h GLU 81 CO -0.42 0.40 -0.10 1.15 -1.16 0.00 0.00 179.01 178.88 2jww h THR 82 N 0.00 0.82 0.00 1.13 2.02 0.18 1.75 112.91 118.82 2jww h THR 82 Ca -0.00 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 2jww h THR 82 Cb 0.92 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2jww h THR 82 CO 0.05 0.04 -0.73 0.07 0.37 0.00 0.00 175.52 175.33 2jww h LYS 83 N -0.37 0.00 0.00 6.66 5.09 -1.04 -2.23 116.57 124.68 2jww h LYS 83 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.66 2jww h LYS 83 Cb 0.29 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.61 2jww h LYS 83 CO 0.05 0.73 -0.57 1.15 -2.09 0.00 0.00 179.45 178.72 2jww h THR 84 N 0.00 0.29 0.01 0.07 2.02 0.20 -3.29 112.91 112.21 2jww h THR 84 Ca -0.01 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 2jww h THR 84 Cb 1.45 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2jww h THR 84 CO 0.09 0.10 -0.10 -0.07 0.37 0.00 0.00 175.52 175.92 2jww h LEU 85 N -1.00 0.07 0.07 2.58 -0.00 0.23 -1.57 115.31 115.68 2jww h LEU 85 Ca -0.08 -0.88 -0.00 0.00 -0.00 0.00 0.00 57.88 56.92 2jww h LEU 85 Cb 0.63 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2jww h LEU 85 CO -0.05 0.94 -0.03 -0.03 -0.00 0.00 0.00 178.44 179.28 2jww h MET 86 N -0.80 -0.08 -0.16 1.13 4.05 -0.27 1.09 114.93 119.88 2jww h MET 86 Ca -0.01 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2jww h MET 86 Cb 0.96 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 2jww h MET 86 CO 0.02 0.21 0.07 0.00 0.23 0.00 0.00 176.91 177.44 2jww h ALA 87 N 0.53 1.82 0.00 0.39 0.00 -1.48 0.33 119.26 120.85 2jww h ALA 87 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jww h ALA 87 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jww h ALA 87 CO 0.01 0.15 -0.10 0.00 0.00 0.00 0.00 179.25 179.31 2jww h ALA 88 N 1.86 0.00 -1.08 0.00 0.00 -1.05 -3.22 119.26 115.78 2jww h ALA 88 Ca 0.06 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.13 2jww h ALA 88 Cb 0.03 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 2jww h ALA 88 CO -0.01 0.09 0.71 0.78 0.00 0.00 0.00 179.25 180.82 2jww h GLY 89 N -1.00 1.04 -3.74 0.00 0.00 0.13 1.24 103.07 100.74 2jww h GLY 89 Ca -0.01 -0.17 -0.51 0.00 0.00 0.00 0.00 47.33 46.65 2jww h GLY 89 CO -0.00 -0.14 0.65 2.09 0.00 0.00 0.00 176.54 179.14 2jww n ASP 90 N -4.57 6.49 -0.22 0.19 5.75 0.10 -1.43 116.55 122.87 2jww n ASP 90 Ca 0.26 -3.44 0.19 0.00 -0.01 0.00 0.00 54.79 51.79 2jww n ASP 90 Cb 0.97 -0.96 0.31 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.46 -0.02 0.31 0.11 0.00 0.43 0.18 118.16 118.70 2jww n LYS 91 Ca 0.49 0.57 0.16 0.00 0.00 0.00 0.00 58.31 59.53 2jww n LYS 91 Cb 0.78 -1.14 0.85 0.00 0.00 0.00 0.00 35.03 35.53 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 -3.01 3.14 1.82 -1.85 -3.46 116.42 113.06 2jww h ASP 92 Ca 0.41 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.02 2jww h ASP 92 Cb 1.32 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.35 2jww h ASP 92 CO -0.21 0.00 -0.07 0.61 -1.61 0.00 0.00 179.24 177.97 2jww n GLY 93 N -1.20 0.67 0.01 -0.78 0.00 0.47 -5.01 105.19 99.35 2jww n GLY 93 Ca -0.02 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 0.36 0.00 1.61 9.92 -1.25 -4.99 116.55 120.66 2jww n ASP 94 Ca -0.01 -0.68 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 2jww n ASP 94 Cb 0.51 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 41.96 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 1.14 1.72 2.96 0.44 0.00 -1.26 -4.97 105.19 105.22 2jww n GLY 95 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.05 0.24 -0.33 1.61 -0.14 -1.26 -0.68 119.74 119.13 2jww s LYS 96 Ca 0.00 -0.42 -0.10 0.00 -1.36 0.00 0.00 55.97 54.09 2jww s LYS 96 Cb 0.00 0.09 0.01 0.00 -1.68 0.00 0.00 37.83 36.25 2jww s LYS 96 CO 0.00 -0.04 0.16 0.42 -0.76 0.00 0.00 175.35 175.13 2jww s ILE 97 N -1.06 4.50 0.44 2.17 1.01 0.50 -4.82 121.20 123.94 2jww s ILE 97 Ca -0.12 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2jww s ILE 97 Cb -0.07 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 2jww s ILE 97 CO -0.01 -0.04 0.42 -0.83 0.00 0.00 0.00 174.94 174.48 2jww s GLY 98 N 1.57 2.14 0.34 6.18 0.00 -1.26 -1.64 107.32 114.64 2jww s GLY 98 Ca 0.03 -1.81 0.12 0.00 0.00 0.00 0.00 44.72 43.06 2jww s GLY 98 CO 0.06 -1.72 1.72 -0.24 0.00 0.00 0.00 173.10 172.92 2jww h VAL 99 N 0.92 0.48 -0.04 1.40 3.04 -1.99 1.26 116.25 121.31 2jww h VAL 99 Ca -0.40 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.09 2jww h VAL 99 Cb 1.27 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jww h VAL 99 CO 0.56 0.09 -0.09 1.05 -1.01 0.00 0.00 177.57 178.17 2jww h GLU 100 N 0.49 0.13 -0.13 4.17 4.11 -1.94 -3.26 114.58 118.16 2jww h GLU 100 Ca 0.66 -0.09 -0.10 0.00 0.07 0.00 0.00 59.36 59.90 2jww h GLU 100 Cb 1.39 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2jww h GLU 100 CO -0.47 0.68 -0.39 0.93 0.07 0.00 0.00 179.01 179.83 2jww h GLU 101 N -0.40 0.27 -0.74 1.06 3.07 -1.47 -2.78 114.58 113.59 2jww h GLU 101 Ca 0.00 -0.12 0.21 0.00 -0.50 0.00 0.00 59.36 58.95 2jww h GLU 101 Cb 0.67 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.55 2jww h GLU 101 CO 0.02 0.62 0.53 0.35 -1.40 0.00 0.00 179.01 179.13 2jww h PHE 102 N 0.23 0.05 -0.26 4.33 3.57 0.15 0.22 116.94 125.22 2jww h PHE 102 Ca 0.02 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2jww h PHE 102 Cb 0.79 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2jww h PHE 102 CO 0.02 0.01 -0.28 1.03 -2.23 0.00 0.00 178.31 176.86 2jww h SER 103 N 0.04 0.70 -0.74 0.41 0.87 -1.57 -2.98 113.55 110.28 2jww h SER 103 Ca 0.36 -0.48 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2jww h SER 103 Cb 1.37 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 63.09 2jww h SER 103 CO -0.02 1.04 0.49 0.74 -0.53 0.00 0.00 176.83 178.55 2jww h THR 104 N 0.38 1.05 -0.69 2.23 2.02 -0.68 -0.31 112.91 116.90 2jww h THR 104 Ca 0.04 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.97 2jww h THR 104 Cb 0.85 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2jww h THR 104 CO 0.07 0.15 0.46 0.25 0.37 0.00 0.00 175.52 176.82 2jww h LEU 105 N 0.82 0.73 -1.40 2.58 5.85 -0.54 0.37 115.31 123.71 2jww h LEU 105 Ca 0.31 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2jww h LEU 105 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2jww h LEU 105 CO -0.10 0.51 0.28 0.58 -0.34 0.00 0.00 178.44 179.36 2jww h VAL 106 N 0.85 1.15 0.19 1.05 2.07 -0.98 -2.40 116.25 118.18 2jww h VAL 106 Ca 0.27 -0.38 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 2jww h VAL 106 Cb 0.04 0.47 0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2jww h VAL 106 CO -0.07 0.17 -1.42 0.00 0.02 0.00 0.00 177.57 176.27 2jww h ALA 107 N 1.61 -0.01 -0.30 1.67 0.00 -0.91 -3.38 119.26 117.94 2jww h ALA 107 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2jww h ALA 107 Cb 0.01 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jww h ALA 107 CO -0.03 0.86 0.00 0.39 0.00 0.00 0.00 179.25 180.47 2jww n GLU 108 N -3.62 0.00 0.00 0.00 -0.58 0.11 -5.12 120.64 111.43 2jww n GLU 108 Ca -0.14 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 2jww n GLU 108 Cb 1.07 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 2jww n GLU 108 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10