#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n HIS 3 N 0.00 0.00 -0.39 2.89 8.25 -1.26 -4.90 115.22 119.81 2wdj n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdj n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdj n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wdj n LEU 4 N 0.00 0.23 -1.25 2.41 -0.00 -1.26 -4.87 117.00 112.26 2wdj n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wdj n LEU 4 Cb 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 2wdj n LEU 4 CO 0.00 -0.12 0.39 0.29 -0.00 0.00 0.00 177.39 177.96 2wdj n LYS 5 N -2.00 0.58 -4.22 1.96 4.01 -1.26 -4.78 118.16 112.45 2wdj n LYS 5 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 2wdj n LYS 5 Cb 0.00 -1.21 -0.09 0.00 -0.51 0.00 0.00 35.03 33.22 2wdj n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2wdj s SER 6 N 1.36 0.81 -0.43 4.39 1.04 -1.26 -5.10 113.70 114.51 2wdj s SER 6 Ca 0.00 -1.53 -0.38 0.00 0.48 0.00 0.00 55.95 54.52 2wdj s SER 6 Cb 0.00 0.48 -0.16 0.00 0.10 0.00 0.00 66.02 66.44 2wdj s SER 6 CO 0.00 -0.98 1.73 0.61 0.98 0.00 0.00 173.24 175.58 2wdj n GLY 7 N -0.44 -0.07 0.00 7.32 0.00 -1.26 -4.81 105.19 105.93 2wdj n GLY 7 Ca 0.04 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2wdj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 8 N 5.77 0.00 -0.51 1.61 5.12 -1.26 -4.94 116.66 122.45 2wdj n ARG 8 Ca 0.43 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 56.15 2wdj n ARG 8 Cb -0.04 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2wdj n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wdj n LYS 9 N 0.00 0.00 0.00 5.56 2.85 -1.26 -5.07 118.16 120.23 2wdj n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wdj n LYS 9 Cb 0.00 -0.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 2wdj n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wdj n LEU 10 N 1.78 0.00 -4.15 -5.58 4.77 -1.26 -5.13 117.00 107.43 2wdj n LEU 10 Ca -0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 2wdj n LEU 10 Cb 0.38 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2wdj n LEU 10 CO 0.22 0.00 -0.19 0.21 -1.33 0.00 0.00 177.39 176.30 2wdj s ASN 11 N 0.00 5.25 0.00 -1.43 3.84 -1.26 -4.92 114.94 116.42 2wdj s ASN 11 Ca 0.00 -1.83 0.00 0.00 0.21 0.00 0.00 52.86 51.24 2wdj s ASN 11 Cb 0.00 -1.83 0.00 0.00 -0.55 0.00 0.00 41.25 38.87 2wdj s ASN 11 CO 0.00 -0.50 0.00 0.54 -2.79 0.00 0.00 177.10 174.35 2wdj n ARG 12 N 4.65 0.00 -4.28 0.43 1.74 -1.26 -4.97 116.66 112.96 2wdj n ARG 12 Ca -0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 2wdj n ARG 12 Cb 0.42 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.76 2wdj n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wdj s HIS 13 N -3.50 1.44 0.00 -1.55 -3.43 -1.26 -4.89 115.29 102.11 2wdj s HIS 13 Ca 0.00 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 2wdj s HIS 13 Cb 0.00 -0.71 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 2wdj s HIS 13 CO 0.00 0.19 0.00 -1.13 -2.00 0.00 0.00 174.74 171.80 2wdj n SER 14 N -0.19 0.00 -0.51 7.38 3.41 -1.26 -0.20 113.62 122.25 2wdj n SER 14 Ca -0.10 0.00 0.42 0.00 -0.26 0.00 0.00 58.87 58.93 2wdj n SER 14 Cb 0.60 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.26 2wdj n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wdj h SER 15 N 0.00 0.16 0.00 4.04 4.64 -1.99 -0.26 113.55 120.15 2wdj h SER 15 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2wdj h SER 15 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2wdj h SER 15 CO 0.00 -0.14 0.00 1.57 -0.87 0.00 0.00 176.83 177.39 2wdj n HIS 16 N -4.48 0.00 -0.32 4.77 -0.00 0.54 -2.36 115.22 113.37 2wdj n HIS 16 Ca 0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 58.05 2wdj n HIS 16 Cb 1.60 -0.49 -0.04 0.00 -0.00 0.00 0.00 29.99 31.07 2wdj n HIS 16 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2wdj n ARG 17 N -1.96 -0.29 -0.17 1.57 0.63 0.72 0.17 116.66 117.33 2wdj n ARG 17 Ca 0.00 1.20 -0.02 0.00 -0.92 0.00 0.00 57.85 58.11 2wdj n ARG 17 Cb 0.00 -1.77 0.08 0.00 0.45 0.00 0.00 32.46 31.22 2wdj n ARG 17 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wdj h LEU 18 N 0.00 0.06 -1.05 6.15 7.12 -1.21 -0.84 115.31 125.54 2wdj h LEU 18 Ca 0.18 0.09 -0.08 0.00 0.13 0.00 0.00 57.88 58.20 2wdj h LEU 18 Cb 0.38 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 2wdj h LEU 18 CO -0.76 0.05 -0.39 0.00 -0.13 0.00 0.00 178.44 177.22 2wdj h ALA 19 N 1.39 1.08 0.42 1.25 0.00 0.11 -2.78 119.26 120.73 2wdj h ALA 19 Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wdj h ALA 19 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wdj h ALA 19 CO -0.32 0.49 -0.20 1.25 0.00 0.00 0.00 179.25 180.47 2wdj h LEU 20 N 0.00 -0.48 -0.73 0.00 5.85 0.11 0.57 115.31 120.63 2wdj h LEU 20 Ca -0.00 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.80 2wdj h LEU 20 Cb 0.84 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 2wdj h LEU 20 CO 0.05 -0.27 0.32 1.88 -0.34 0.00 0.00 178.44 180.08 2wdj h TYR 21 N -0.65 0.57 -0.16 1.25 0.99 -1.31 -1.48 116.97 116.17 2wdj h TYR 21 Ca -0.06 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 2wdj h TYR 21 Cb 0.48 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.06 2wdj h TYR 21 CO -0.03 0.14 0.03 0.00 -0.00 0.00 0.00 178.16 178.30 2wdj h ARG 22 N 0.51 0.27 -0.29 4.88 3.08 -1.21 -0.37 114.38 121.25 2wdj h ARG 22 Ca 0.38 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.41 2wdj h ARG 22 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2wdj h ARG 22 CO -0.34 0.43 0.20 -0.91 -1.07 0.00 0.00 179.97 178.29 2wdj h ASN 23 N 0.06 0.15 0.10 7.04 -0.26 -0.20 0.10 115.58 122.57 2wdj h ASN 23 Ca 0.05 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2wdj h ASN 23 Cb 0.29 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2wdj h ASN 23 CO 0.00 0.10 -0.05 1.56 -1.06 0.00 0.00 177.43 177.98 2wdj h GLN 24 N 0.17 -0.13 -0.85 0.81 4.20 -1.04 -2.49 115.11 115.78 2wdj h GLN 24 Ca 0.13 0.01 0.16 0.00 0.06 0.00 0.00 58.65 59.01 2wdj h GLN 24 Cb 0.31 0.03 -0.16 0.00 0.30 0.00 0.00 27.48 27.96 2wdj h GLN 24 CO -0.02 0.23 -0.27 0.00 -0.67 0.00 0.00 178.83 178.11 2wdj h ALA 25 N -0.59 0.39 -0.53 3.87 0.00 -0.74 0.90 119.26 122.55 2wdj h ALA 25 Ca -0.01 0.30 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2wdj h ALA 25 Cb 0.43 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 2wdj h ALA 25 CO 0.02 -0.49 -0.08 0.87 0.00 0.00 0.00 179.25 179.58 2wdj h LYS 26 N -0.03 0.04 0.35 0.00 1.57 -0.84 -0.09 116.57 117.57 2wdj h LYS 26 Ca 0.37 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 2wdj h LYS 26 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wdj h LYS 26 CO -0.88 0.03 -0.17 0.77 -0.57 0.00 0.00 179.45 178.63 2wdj h SER 27 N 0.04 -0.39 -0.82 0.86 0.02 0.11 -1.51 113.55 111.86 2wdj h SER 27 Ca 0.26 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.37 2wdj h SER 27 Cb 0.41 0.10 -0.14 0.00 0.14 0.00 0.00 62.40 62.91 2wdj h SER 27 CO -0.51 -0.25 -0.28 -0.11 -1.14 0.00 0.00 176.83 174.53 2wdj n LEU 28 N -3.41 -0.45 0.00 5.07 -0.00 0.12 0.49 117.00 118.83 2wdj n LEU 28 Ca -0.06 1.42 0.00 0.00 -0.00 0.00 0.00 56.01 57.37 2wdj n LEU 28 Cb 0.18 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2wdj n LEU 28 CO 0.14 -1.30 0.36 0.18 -0.00 0.00 0.00 177.39 176.76 2wdj n LEU 29 N -5.25 0.04 -0.31 -1.96 4.32 -0.06 0.04 117.00 113.82 2wdj n LEU 29 Ca 0.10 0.72 -0.03 0.00 -0.02 0.00 0.00 56.01 56.78 2wdj n LEU 29 Cb 0.36 -0.23 -0.01 0.00 -1.62 0.00 0.00 43.42 41.92 2wdj n LEU 29 CO -0.11 -0.23 0.43 0.41 -1.22 0.00 0.00 177.39 176.67 2wdj n THR 30 N -1.20 -0.46 1.39 -5.08 -1.04 -0.57 -1.24 114.28 106.09 2wdj n THR 30 Ca 0.00 1.86 0.14 0.00 -2.04 0.00 0.00 64.05 64.02 2wdj n THR 30 Cb 0.00 -2.41 0.62 0.00 -1.82 0.00 0.00 70.33 66.72 2wdj n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdj n HIS 31 N -5.10 0.00 0.00 -1.42 8.25 0.18 -4.98 115.22 112.15 2wdj n HIS 31 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2wdj n HIS 31 Cb 0.28 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2wdj n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdj n GLY 32 N 1.29 1.25 3.24 -1.41 0.00 0.11 -4.79 105.19 104.88 2wdj n GLY 32 Ca 0.14 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2wdj n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdj s ARG 33 N 0.00 1.84 0.07 1.61 3.00 -1.26 -3.31 118.95 120.90 2wdj s ARG 33 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 55.73 54.96 2wdj s ARG 33 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 34.95 33.16 2wdj s ARG 33 CO 0.00 0.46 -0.08 0.42 0.00 0.00 0.00 175.30 176.10 2wdj s ILE 34 N -0.47 0.70 -0.09 1.52 -1.09 -0.28 -4.89 121.20 116.59 2wdj s ILE 34 Ca 0.07 -1.49 0.01 0.00 -2.23 0.00 0.00 60.65 57.01 2wdj s ILE 34 Cb -0.09 -1.15 0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2wdj s ILE 34 CO -0.00 -0.58 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.14 2wdj s THR 35 N -2.36 1.06 0.00 2.92 2.01 -1.26 -1.34 115.64 116.67 2wdj s THR 35 Ca 0.01 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2wdj s THR 35 Cb -0.03 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2wdj s THR 35 CO -0.01 0.36 0.00 0.35 -0.69 0.00 0.00 174.62 174.62 2wdj n THR 36 N 4.37 0.00 -3.05 -0.82 -2.24 -1.08 -4.99 114.28 106.46 2wdj n THR 36 Ca -0.18 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 2wdj n THR 36 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2wdj n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wdj s THR 37 N -0.36 4.78 0.03 4.28 -4.23 -1.26 -0.97 115.64 117.90 2wdj s THR 37 Ca 0.00 0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 61.11 2wdj s THR 37 Cb 0.00 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 2wdj s THR 37 CO 0.00 -0.33 1.14 0.58 -0.54 0.00 0.00 174.62 175.46 2wdj h VAL 38 N 1.53 0.00 -0.23 2.29 2.07 -1.64 0.15 116.25 120.43 2wdj h VAL 38 Ca -0.47 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2wdj h VAL 38 Cb 1.18 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2wdj h VAL 38 CO 0.65 0.00 -0.21 -0.65 0.02 0.00 0.00 177.57 177.38 2wdj h PRO 39 N -0.09 -0.21 -0.65 1.57 0.11 -1.95 0.93 132.00 131.71 2wdj h PRO 39 Ca 0.02 0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.33 2wdj h PRO 39 Cb 0.14 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 2wdj h PRO 39 CO -0.16 -0.14 0.48 -0.22 -0.21 0.00 0.00 178.00 177.75 2wdj h LYS 40 N -0.22 0.00 0.00 1.05 3.64 -1.88 -2.54 116.57 116.62 2wdj h LYS 40 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2wdj h LYS 40 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2wdj h LYS 40 CO -0.35 0.00 -0.08 0.00 -2.27 0.00 0.00 179.45 176.75 2wdj h ALA 41 N 1.65 0.00 -1.00 5.00 0.00 0.11 -3.22 119.26 121.81 2wdj h ALA 41 Ca 0.31 -0.08 0.36 0.00 0.00 0.00 0.00 54.91 55.50 2wdj h ALA 41 Cb 1.27 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 2wdj h ALA 41 CO -0.00 0.08 0.52 0.87 0.00 0.00 0.00 179.25 180.72 2wdj h LYS 42 N -0.95 0.15 -0.31 0.00 1.57 -0.68 0.54 116.57 116.88 2wdj h LYS 42 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2wdj h LYS 42 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2wdj h LYS 42 CO 0.00 0.10 -0.26 1.49 -0.57 0.00 0.00 179.45 180.21 2wdj h GLU 43 N 0.15 0.73 -0.97 3.15 4.57 -1.62 -3.24 114.58 117.36 2wdj h GLU 43 Ca 0.78 -0.37 0.16 0.00 -1.18 0.00 0.00 59.36 58.75 2wdj h GLU 43 Cb 1.91 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 30.41 2wdj h GLU 43 CO -0.70 0.98 0.58 1.25 -1.18 0.00 0.00 179.01 179.94 2wdj h LEU 44 N 0.49 0.77 -0.20 1.64 7.12 0.06 -3.15 115.31 122.04 2wdj h LEU 44 Ca 0.06 0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.17 2wdj h LEU 44 Cb 0.83 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.86 2wdj h LEU 44 CO 0.07 0.34 -0.23 0.08 -0.13 0.00 0.00 178.44 178.56 2wdj h ARG 45 N 0.81 -0.14 -0.89 1.25 0.11 -1.49 -1.80 114.38 112.23 2wdj h ARG 45 Ca 0.53 0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.86 2wdj h ARG 45 Cb 0.71 0.03 -0.15 0.00 1.11 0.00 0.00 29.97 31.67 2wdj h ARG 45 CO -0.34 -0.09 0.22 0.78 0.10 0.00 0.00 179.97 180.64 2wdj h GLY 46 N -0.14 1.36 0.71 0.08 0.00 -1.74 -1.82 103.07 101.52 2wdj h GLY 46 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2wdj h GLY 46 CO -0.27 -0.39 -0.45 -2.75 0.00 0.00 0.00 176.54 172.68 2wdj h PHE 47 N 0.18 -1.21 0.03 5.60 3.57 -1.45 -2.45 116.94 121.21 2wdj h PHE 47 Ca 0.56 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.07 2wdj h PHE 47 Cb 1.15 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 2wdj h PHE 47 CO -0.28 -0.65 -0.07 0.28 -2.23 0.00 0.00 178.31 175.36 2wdj h VAL 48 N -1.02 0.83 -0.69 1.41 2.07 -1.15 -2.88 116.25 114.81 2wdj h VAL 48 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2wdj h VAL 48 Cb 0.85 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 2wdj h VAL 48 CO 0.03 0.00 -0.55 0.44 0.02 0.00 0.00 177.57 177.51 2wdj h ASP 49 N -0.14 -1.92 -0.14 0.57 3.32 -1.32 1.09 116.42 117.89 2wdj h ASP 49 Ca 0.02 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.39 2wdj h ASP 49 Cb 0.16 0.83 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2wdj h ASP 49 CO -0.05 -0.32 0.42 -0.74 -1.72 0.00 0.00 179.24 176.83 2wdj h HIS 50 N -0.20 0.00 0.06 4.55 2.76 -1.22 0.40 115.15 121.50 2wdj h HIS 50 Ca 0.13 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.01 2wdj h HIS 50 Cb 0.52 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 2wdj h HIS 50 CO -0.85 0.00 -1.60 -0.07 -1.30 0.00 0.00 177.93 174.11 2wdj h LEU 51 N 0.00 0.20 -0.07 0.26 4.07 0.12 -2.91 115.31 116.99 2wdj h LEU 51 Ca 0.06 -0.34 -0.07 0.00 0.08 0.00 0.00 57.88 57.61 2wdj h LEU 51 Cb 0.91 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2wdj h LEU 51 CO -0.00 1.29 -0.23 0.40 -1.08 0.00 0.00 178.44 178.83 2wdj h ILE 52 N 0.04 1.43 0.00 1.22 1.08 0.18 0.13 117.51 121.58 2wdj h ILE 52 Ca -0.26 -1.60 -0.03 0.00 -0.39 0.00 0.00 64.86 62.58 2wdj h ILE 52 Cb 1.99 2.28 -0.00 0.00 -3.07 0.00 0.00 36.82 38.01 2wdj h ILE 52 CO 0.12 0.45 -0.13 -0.74 -0.69 0.00 0.00 178.15 177.16 2wdj h HIS 53 N -0.22 0.00 0.00 1.37 2.76 -0.70 0.39 115.15 118.75 2wdj h HIS 53 Ca -0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 2wdj h HIS 53 Cb 0.85 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 2wdj h HIS 53 CO 0.12 0.13 -0.49 1.25 -1.30 0.00 0.00 177.93 177.65 2wdj h LEU 54 N 0.00 0.00 -0.84 0.26 5.85 -1.33 -3.00 115.31 116.24 2wdj h LEU 54 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2wdj h LEU 54 Cb 0.39 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2wdj h LEU 54 CO 0.02 0.40 -0.50 0.00 -0.34 0.00 0.00 178.44 178.01 2wdj h ALA 55 N 1.60 0.99 0.37 1.25 0.00 0.25 -3.24 119.26 120.49 2wdj h ALA 55 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wdj h ALA 55 Cb 1.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2wdj h ALA 55 CO 0.05 0.63 -0.35 0.87 0.00 0.00 0.00 179.25 180.45 2wdj h LYS 56 N 0.00 -0.71 -7.20 0.00 6.56 -1.08 -3.40 116.57 110.73 2wdj h LYS 56 Ca -0.01 0.05 -0.53 0.00 -1.06 0.00 0.00 60.65 59.10 2wdj h LYS 56 Cb 1.00 0.16 0.17 0.00 -0.57 0.00 0.00 32.23 32.99 2wdj h LYS 56 CO 0.07 -0.48 0.35 1.03 -2.06 0.00 0.00 179.45 178.36 2wdj s ARG 57 N -6.00 1.82 -0.00 3.15 0.52 -1.22 -4.93 118.95 112.28 2wdj s ARG 57 Ca -0.17 1.73 0.05 0.00 -0.52 0.00 0.00 55.73 56.82 2wdj s ARG 57 Cb 0.06 -1.80 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 2wdj s ARG 57 CO 0.63 -2.07 0.19 0.41 0.02 0.00 0.00 175.30 174.48 2wdj n GLY 58 N 0.38 0.26 3.20 -3.53 0.00 -1.26 -4.92 105.19 99.31 2wdj n GLY 58 Ca 0.13 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2wdj n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdj n ASP 59 N -1.31 -3.19 -0.21 1.61 3.85 -1.26 -4.62 116.55 111.43 2wdj n ASP 59 Ca 0.00 0.72 0.01 0.00 -0.71 0.00 0.00 54.79 54.82 2wdj n ASP 59 Cb 0.10 -0.85 0.11 0.00 -1.35 0.00 0.00 41.12 39.14 2wdj n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wdj h LEU 60 N 0.16 -0.13 -0.35 -2.12 6.46 -1.99 -1.29 115.31 116.05 2wdj h LEU 60 Ca -0.38 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 2wdj h LEU 60 Cb 1.42 0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 41.48 2wdj h LEU 60 CO 0.43 -0.06 -0.55 -0.74 -0.62 0.00 0.00 178.44 176.91 2wdj h HIS 61 N 0.19 -1.67 -0.58 1.25 2.76 -1.99 0.23 115.15 115.34 2wdj h HIS 61 Ca 0.33 0.08 0.16 0.00 -2.20 0.00 0.00 60.37 58.73 2wdj h HIS 61 Cb 0.52 0.77 -0.03 0.00 1.55 0.00 0.00 27.41 30.23 2wdj h HIS 61 CO -0.30 -0.50 0.41 0.00 -1.30 0.00 0.00 177.93 176.24 2wdj h ALA 62 N -0.07 2.44 0.36 5.26 0.00 -1.58 -0.27 119.26 125.40 2wdj h ALA 62 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wdj h ALA 62 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wdj h ALA 62 CO -0.56 -0.61 -0.17 -0.09 0.00 0.00 0.00 179.25 177.82 2wdj h ARG 63 N 0.07 -0.47 0.00 0.00 2.43 0.24 -2.52 114.38 114.14 2wdj h ARG 63 Ca 0.28 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2wdj h ARG 63 Cb 1.00 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2wdj h ARG 63 CO -0.02 -0.15 0.00 0.00 -1.51 0.00 0.00 179.97 178.29 2wdj h ARG 64 N -0.85 0.00 0.01 0.20 3.08 -0.51 0.04 114.38 116.35 2wdj h ARG 64 Ca -0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 2wdj h ARG 64 Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.60 2wdj h ARG 64 CO 0.08 0.00 -0.91 -0.07 -1.07 0.00 0.00 179.97 178.00 2wdj h LEU 65 N 0.00 0.78 -0.17 3.04 4.07 -1.02 -3.02 115.31 118.99 2wdj h LEU 65 Ca 0.00 -0.76 -0.07 0.00 0.08 0.00 0.00 57.88 57.14 2wdj h LEU 65 Cb 0.45 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2wdj h LEU 65 CO 0.00 1.44 -0.32 0.58 -1.08 0.00 0.00 178.44 179.06 2wdj h VAL 66 N 0.20 0.57 0.00 1.22 2.07 -1.29 -3.13 116.25 115.90 2wdj h VAL 66 Ca -0.12 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2wdj h VAL 66 Cb 1.59 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2wdj h VAL 66 CO 0.18 0.31 0.00 -0.11 0.02 0.00 0.00 177.57 177.97 2wdj n LEU 67 N -3.21 0.26 -0.05 2.57 7.94 -0.01 -2.08 117.00 122.42 2wdj n LEU 67 Ca 0.02 0.57 -0.16 0.00 -1.11 0.00 0.00 56.01 55.34 2wdj n LEU 67 Cb 0.63 -0.55 -0.13 0.00 0.53 0.00 0.00 43.42 43.90 2wdj n LEU 67 CO 0.38 -0.43 0.27 0.03 -1.11 0.00 0.00 177.39 176.53 2wdj h ARG 68 N 0.00 0.06 0.40 1.96 3.08 -1.47 -3.38 114.38 115.04 2wdj h ARG 68 Ca 0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2wdj h ARG 68 Cb 0.24 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2wdj h ARG 68 CO 0.00 1.05 -0.19 -0.44 -1.07 0.00 0.00 179.97 179.32 2wdj h ASP 69 N -0.87 -0.45 -3.36 7.04 3.45 -1.69 -3.39 116.42 117.15 2wdj h ASP 69 Ca -0.05 -0.12 -0.59 0.00 0.43 0.00 0.00 57.03 56.70 2wdj h ASP 69 Cb 1.15 0.12 -0.08 0.00 -0.56 0.00 0.00 39.33 39.95 2wdj h ASP 69 CO 0.02 -0.05 0.25 -0.76 -1.57 0.00 0.00 179.24 177.13 2wdj s LEU 70 N -9.41 4.15 0.15 1.55 1.43 -0.88 -4.88 118.68 110.79 2wdj s LEU 70 Ca -0.13 0.98 0.20 0.00 -1.03 0.00 0.00 54.13 54.15 2wdj s LEU 70 Cb 0.02 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 2wdj s LEU 70 CO 0.47 -0.34 0.98 -0.61 0.23 0.00 0.00 176.35 177.08 2wdj h GLN 71 N 7.45 0.00 -6.20 1.70 5.75 -1.77 -3.38 115.11 118.67 2wdj h GLN 71 Ca -0.30 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.64 2wdj h GLN 71 Cb 1.13 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.65 2wdj h GLN 71 CO 0.81 0.13 0.95 0.34 -2.65 0.00 0.00 178.83 178.41 2wdj s ASP 72 N -5.59 6.84 0.07 -0.69 3.68 -1.26 -4.93 116.67 114.79 2wdj s ASP 72 Ca -0.01 1.69 -0.34 0.00 2.13 0.00 0.00 52.55 56.01 2wdj s ASP 72 Cb 0.09 -2.54 -0.18 0.00 -1.45 0.00 0.00 42.92 38.84 2wdj s ASP 72 CO 0.79 -0.86 1.60 0.58 0.13 0.00 0.00 175.17 177.42 2wdj h VAL 73 N 5.61 0.20 -0.70 1.11 2.07 -1.95 -2.27 116.25 120.33 2wdj h VAL 73 Ca -0.28 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2wdj h VAL 73 Cb 1.11 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.98 2wdj h VAL 73 CO 0.98 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 178.57 2wdj h LYS 74 N -1.00 -0.17 -0.62 1.57 1.63 -2.01 0.20 116.57 116.17 2wdj h LYS 74 Ca -0.09 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 59.85 2wdj h LYS 74 Cb 0.80 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.43 2wdj h LYS 74 CO 0.10 -0.12 0.42 1.25 -3.45 0.00 0.00 179.45 177.66 2wdj h LEU 75 N -0.18 0.29 -0.71 5.20 7.12 -1.95 -1.13 115.31 123.95 2wdj h LEU 75 Ca 0.17 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.19 2wdj h LEU 75 Cb 0.54 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 2wdj h LEU 75 CO -0.77 0.16 0.45 0.58 -0.13 0.00 0.00 178.44 178.74 2wdj h VAL 76 N 0.31 1.19 0.61 1.05 2.07 0.01 -2.24 116.25 119.26 2wdj h VAL 76 Ca 0.29 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2wdj h VAL 76 Cb 0.72 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2wdj h VAL 76 CO -0.07 0.19 -0.29 0.03 0.02 0.00 0.00 177.57 177.45 2wdj h ARG 77 N 0.96 -0.79 0.00 1.57 3.08 -0.97 0.27 114.38 118.50 2wdj h ARG 77 Ca 0.26 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2wdj h ARG 77 Cb -0.08 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wdj h ARG 77 CO -0.05 -0.53 0.53 1.17 -1.07 0.00 0.00 179.97 180.02 2wdj n LYS 78 N -4.28 0.02 0.00 0.04 4.81 -1.06 -1.15 118.16 116.53 2wdj n LYS 78 Ca -0.10 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2wdj n LYS 78 Cb 0.32 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2wdj n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wdj n LEU 79 N -1.48 0.28 0.00 3.14 0.00 -0.39 -3.45 117.00 115.11 2wdj n LEU 79 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.06 2wdj n LEU 79 Cb 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.70 2wdj n LEU 79 CO 0.01 -0.25 0.42 0.49 0.00 0.00 0.00 177.39 178.06 2wdj n PHE 80 N -1.86 0.00 -2.18 1.96 3.72 0.81 0.06 117.46 119.97 2wdj n PHE 80 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2wdj n PHE 80 Cb 0.00 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 2wdj n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wdj n ASP 81 N -2.61 6.22 0.00 4.37 3.85 -0.80 -3.68 116.55 123.90 2wdj n ASP 81 Ca 0.00 -3.11 0.00 0.00 -0.71 0.00 0.00 54.79 50.97 2wdj n ASP 81 Cb 0.00 -1.44 0.00 0.00 -1.35 0.00 0.00 41.12 38.33 2wdj n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2wdj n GLU 82 N 3.09 0.00 -0.00 0.11 2.13 -1.08 -4.83 120.64 120.07 2wdj n GLU 82 Ca 0.49 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.14 2wdj n GLU 82 Cb 0.32 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.90 2wdj n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wdj h ILE 83 N 0.00 1.54 0.18 6.31 1.08 -0.40 -3.32 117.51 122.91 2wdj h ILE 83 Ca 0.00 -2.21 -0.00 0.00 -0.39 0.00 0.00 64.86 62.26 2wdj h ILE 83 Cb 0.00 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 2wdj h ILE 83 CO 0.00 0.62 -0.14 0.00 -0.69 0.00 0.00 178.15 177.94 2wdj h ALA 84 N 0.19 -0.31 -0.91 1.87 0.00 -1.45 -3.07 119.26 115.58 2wdj h ALA 84 Ca -0.07 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.02 2wdj h ALA 84 Cb 1.27 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 19.12 2wdj h ALA 84 CO 0.09 -0.69 0.38 -1.35 0.00 0.00 0.00 179.25 177.68 2wdj h PRO 85 N -0.33 0.35 0.00 0.00 0.11 -1.71 0.13 132.00 130.54 2wdj h PRO 85 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2wdj h PRO 85 Cb 0.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2wdj h PRO 85 CO -0.01 0.23 0.03 0.54 -0.21 0.00 0.00 178.00 178.58 2wdj n ARG 86 N -5.08 0.01 0.00 1.05 1.74 -1.16 -0.85 116.66 112.37 2wdj n ARG 86 Ca 0.23 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2wdj n ARG 86 Cb 0.70 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2wdj n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wdj n TYR 87 N -1.51 0.00 -0.26 -1.55 4.01 0.43 -4.84 117.16 113.44 2wdj n TYR 87 Ca -0.00 -0.23 0.08 0.00 -0.16 0.00 0.00 57.90 57.59 2wdj n TYR 87 Cb 0.03 -0.02 0.16 0.00 -0.31 0.00 0.00 39.34 39.20 2wdj n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wdj n ARG 88 N -0.23 -0.06 -0.35 -0.72 0.00 -0.03 0.25 116.66 115.52 2wdj n ARG 88 Ca 0.00 1.14 0.10 0.00 -0.00 0.00 0.00 57.85 59.08 2wdj n ARG 88 Cb 0.15 -1.75 0.28 0.00 0.00 0.00 0.00 32.46 31.14 2wdj n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wdj n ASP 89 N -5.12 3.45 -4.88 6.15 8.00 -1.26 -4.95 116.55 117.94 2wdj n ASP 89 Ca 0.15 -2.05 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 2wdj n ASP 89 Cb 0.48 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 2wdj n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wdj s ARG 90 N -1.25 3.68 -0.78 -1.24 3.52 0.14 -5.04 118.95 117.97 2wdj s ARG 90 Ca 0.42 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 56.07 2wdj s ARG 90 Cb 0.23 -2.92 0.21 0.00 -1.56 0.00 0.00 34.95 30.91 2wdj s ARG 90 CO 0.27 0.51 0.69 0.94 -0.81 0.00 0.00 175.30 176.90 2wdj n GLN 91 N 0.48 2.36 0.00 5.12 7.27 -1.26 -5.05 117.38 126.30 2wdj n GLN 91 Ca -0.05 -4.52 0.00 0.00 0.07 0.00 0.00 57.00 52.49 2wdj n GLN 91 Cb 0.52 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.83 2wdj n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wdj n GLY 92 N 1.86 -2.34 3.82 1.69 0.00 -1.26 -5.04 105.19 103.91 2wdj n GLY 92 Ca 0.23 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2wdj n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 93 N -0.08 -0.79 0.30 -0.02 0.00 -1.26 -4.85 105.19 98.49 2wdj n GLY 93 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.49 2wdj n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdj n TYR 94 N -3.40 0.00 -4.64 1.61 4.02 -1.26 -4.79 117.16 108.70 2wdj n TYR 94 Ca -0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.50 2wdj n TYR 94 Cb 0.48 -0.09 -0.14 0.00 -0.02 0.00 0.00 39.34 39.56 2wdj n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wdj s THR 95 N -2.39 1.48 0.09 -0.72 -1.32 -1.26 -0.95 115.64 110.57 2wdj s THR 95 Ca 0.27 -1.03 0.08 0.00 -1.21 0.00 0.00 61.69 59.80 2wdj s THR 95 Cb 0.20 -1.28 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 2wdj s THR 95 CO 0.48 0.22 -0.21 -0.60 -2.21 0.00 0.00 174.62 172.30 2wdj s ARG 96 N -0.95 1.14 -0.15 7.08 3.52 -0.35 -4.76 118.95 124.46 2wdj s ARG 96 Ca 0.06 -1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 54.49 2wdj s ARG 96 Cb -0.08 -1.37 0.05 0.00 -1.56 0.00 0.00 34.95 31.99 2wdj s ARG 96 CO 0.01 0.32 0.08 0.08 -0.81 0.00 0.00 175.30 174.98 2wdj s VAL 97 N -1.13 -0.06 -0.22 7.11 1.01 -1.26 -1.46 120.40 124.39 2wdj s VAL 97 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2wdj s VAL 97 Cb -0.10 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2wdj s VAL 97 CO 0.04 -0.19 0.04 -0.76 0.00 0.00 0.00 175.10 174.22 2wdj s LEU 98 N 2.13 3.37 0.03 3.92 1.43 0.61 -4.91 118.68 125.26 2wdj s LEU 98 Ca 0.02 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 2wdj s LEU 98 Cb -0.15 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 2wdj s LEU 98 CO -0.08 0.02 1.34 -0.54 0.23 0.00 0.00 176.35 177.32 2wdj s LYS 99 N 1.27 4.33 0.65 1.70 1.02 -1.26 0.30 119.74 127.75 2wdj s LYS 99 Ca 0.04 1.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.84 2wdj s LYS 99 Cb -0.15 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2wdj s LYS 99 CO 0.02 -0.47 1.05 -0.51 -0.92 0.00 0.00 175.35 174.53 2wdj s LEU 100 N 1.82 3.12 0.44 3.17 2.01 -0.97 -4.90 118.68 123.37 2wdj s LEU 100 Ca 0.62 1.34 0.05 0.00 0.01 0.00 0.00 54.13 56.15 2wdj s LEU 100 Cb -0.31 -4.30 0.01 0.00 0.01 0.00 0.00 46.19 41.60 2wdj s LEU 100 CO 0.27 -1.04 0.62 0.00 1.01 0.00 0.00 176.35 177.21 2wdj s ALA 101 N -3.23 4.22 0.09 4.21 0.00 -1.26 -4.73 121.76 121.06 2wdj s ALA 101 Ca 0.56 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2wdj s ALA 101 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2wdj s ALA 101 CO 0.53 -0.38 0.00 0.39 0.00 0.00 0.00 175.76 176.30 2wdj n GLU 102 N -1.98 -5.16 -3.14 0.00 1.02 -1.26 -4.94 120.64 105.17 2wdj n GLU 102 Ca 0.06 3.69 -0.24 0.00 -0.02 0.00 0.00 57.16 60.66 2wdj n GLU 102 Cb 0.59 -4.39 -0.00 0.00 -0.02 0.00 0.00 31.44 27.62 2wdj n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2wdj s ARG 103 N -0.54 3.32 -0.17 3.49 1.70 -1.26 -4.70 118.95 120.79 2wdj s ARG 103 Ca 0.00 -0.35 -0.36 0.00 -0.47 0.00 0.00 55.73 54.55 2wdj s ARG 103 Cb 0.00 -2.59 -0.13 0.00 -0.57 0.00 0.00 34.95 31.66 2wdj s ARG 103 CO 0.00 -0.06 1.87 -2.13 -1.08 0.00 0.00 175.30 173.91 2wdj n ARG 104 N -1.95 1.81 -2.43 3.89 0.63 -0.76 -4.83 116.66 113.02 2wdj n ARG 104 Ca -0.02 0.65 -0.38 0.00 -0.92 0.00 0.00 57.85 57.19 2wdj n ARG 104 Cb 0.57 -2.49 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 2wdj n ARG 104 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wdj s ARG 105 N 4.14 3.38 0.00 -0.14 0.52 -1.26 -2.34 118.95 123.25 2wdj s ARG 105 Ca 0.96 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2wdj s ARG 105 Cb -0.81 -5.33 0.00 0.00 0.52 0.00 0.00 34.95 29.34 2wdj s ARG 105 CO 0.55 -2.58 0.00 0.41 0.02 0.00 0.00 175.30 173.71 2wdj n GLY 106 N 6.53 0.00 0.00 -3.53 0.00 -1.26 -4.95 105.19 101.97 2wdj n GLY 106 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2wdj n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdj n ASP 107 N 0.00 0.00 -3.61 1.61 3.85 -1.24 -5.01 116.55 112.16 2wdj n ASP 107 Ca 0.00 0.00 -0.28 0.00 -0.71 0.00 0.00 54.79 53.80 2wdj n ASP 107 Cb 0.00 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 39.81 2wdj n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wdj n GLY 108 N 0.00 -1.04 3.23 6.12 0.00 -0.99 -4.97 105.19 107.54 2wdj n GLY 108 Ca 0.00 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 2wdj n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj s ALA 109 N -3.41 2.61 0.17 4.61 0.00 -1.25 -4.91 121.76 119.58 2wdj s ALA 109 Ca 0.44 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 2wdj s ALA 109 Cb -0.14 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 21.41 2wdj s ALA 109 CO 0.84 -0.38 1.42 -1.25 0.00 0.00 0.00 175.76 176.40 2wdj s PRO 110 N 1.37 4.30 0.48 0.00 0.04 -1.26 -1.83 135.00 138.10 2wdj s PRO 110 Ca 0.05 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.34 2wdj s PRO 110 Cb -0.14 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.23 2wdj s PRO 110 CO -0.07 -0.44 0.49 -0.51 0.04 0.00 0.00 177.00 176.52 2wdj s LEU 111 N 0.61 3.21 0.01 -3.56 2.01 -1.26 -2.09 118.68 117.61 2wdj s LEU 111 Ca 0.63 -0.84 -0.24 0.00 0.01 0.00 0.00 54.13 53.69 2wdj s LEU 111 Cb -0.39 -1.85 0.05 0.00 0.01 0.00 0.00 46.19 44.01 2wdj s LEU 111 CO 0.34 -0.91 0.54 0.00 1.01 0.00 0.00 176.35 177.33 2wdj s ALA 112 N -2.57 -1.38 -0.18 4.21 0.00 -0.15 -2.29 121.76 119.41 2wdj s ALA 112 Ca 0.48 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 2wdj s ALA 112 Cb -0.04 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2wdj s ALA 112 CO 0.29 -0.43 0.12 -1.17 0.00 0.00 0.00 175.76 174.58 2wdj s LEU 113 N -1.64 4.20 -0.08 0.00 2.96 0.15 -2.64 118.68 121.62 2wdj s LEU 113 Ca -0.08 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2wdj s LEU 113 Cb -0.01 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.61 2wdj s LEU 113 CO 0.03 0.24 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.39 2wdj s VAL 114 N -0.01 1.83 0.29 1.68 1.01 -0.45 -0.28 120.40 124.47 2wdj s VAL 114 Ca 0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2wdj s VAL 114 Cb -0.11 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2wdj s VAL 114 CO -0.00 0.51 0.36 -1.83 0.00 0.00 0.00 175.10 174.13 2wdj s GLU 115 N 0.29 1.66 -0.29 2.72 -1.05 -0.54 -1.13 118.70 120.37 2wdj s GLU 115 Ca -0.14 -1.71 -0.20 0.00 -0.15 0.00 0.00 54.97 52.77 2wdj s GLU 115 Cb -0.16 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 2wdj s GLU 115 CO 0.07 -0.65 0.63 -0.51 0.95 0.00 0.00 175.26 175.74 2wdj s LEU 116 N -3.21 4.12 0.31 1.83 1.43 -1.21 -1.22 118.68 120.73 2wdj s LEU 116 Ca 0.33 0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 2wdj s LEU 116 Cb 0.02 -2.82 -0.13 0.00 0.03 0.00 0.00 46.19 43.28 2wdj s LEU 116 CO 0.18 -0.45 1.09 0.52 0.23 0.00 0.00 176.35 177.93 2wdj n VAL 117 N 5.34 2.00 -0.12 -1.59 0.31 -0.13 -4.90 118.33 119.25 2wdj n VAL 117 Ca -0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2wdj n VAL 117 Cb 0.49 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2wdj n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72