#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n LYS 8 N 0.00 0.00 0.00 5.55 4.76 -1.26 -4.34 118.16 122.87 2wdk n LYS 8 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2wdk n LYS 8 Cb 0.00 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 2wdk n LYS 8 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wdk n GLU 9 N -1.18 0.00 0.23 1.97 -0.58 -1.26 -0.75 120.64 119.08 2wdk n GLU 9 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2wdk n GLU 9 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 2wdk n GLU 9 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2wdk h LEU 10 N 0.00 -0.97 -0.88 -4.62 3.38 -1.95 -2.57 115.31 107.70 2wdk h LEU 10 Ca 0.00 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.24 2wdk h LEU 10 Cb 0.00 0.31 -0.16 0.00 0.09 0.00 0.00 40.66 40.90 2wdk h LEU 10 CO 0.00 -0.49 -0.09 -0.07 0.09 0.00 0.00 178.44 177.87 2wdk h LEU 11 N -0.76 -0.60 -0.03 1.67 3.38 -1.13 0.36 115.31 118.20 2wdk h LEU 11 Ca -0.05 0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2wdk h LEU 11 Cb 0.64 0.48 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 2wdk h LEU 11 CO -0.02 -0.28 -0.51 -0.33 0.09 0.00 0.00 178.44 177.40 2wdk h GLU 12 N 0.03 -0.59 -0.92 1.13 5.08 -0.82 0.18 114.58 118.67 2wdk h GLU 12 Ca 0.47 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.78 2wdk h GLU 12 Cb 0.83 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 2wdk h GLU 12 CO -0.85 -0.40 0.11 0.00 -1.00 0.00 0.00 179.01 176.88 2wdk n ALA 13 N -2.95 3.28 0.22 3.43 0.00 -0.36 -3.71 120.51 120.42 2wdk n ALA 13 Ca -0.07 -0.84 0.08 0.00 0.00 0.00 0.00 53.44 52.62 2wdk n ALA 13 Cb 0.37 -1.10 0.53 0.00 0.00 0.00 0.00 19.45 19.25 2wdk n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wdk h GLY 14 N 3.83 0.00 0.00 0.00 0.00 0.28 -3.42 103.07 103.76 2wdk h GLY 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2wdk h GLY 14 CO 0.28 0.00 0.00 3.33 0.00 0.00 0.00 176.54 180.15 2wdk n VAL 15 N -3.76 0.00 -2.81 4.60 0.24 -1.26 -5.05 118.33 110.30 2wdk n VAL 15 Ca -0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2wdk n VAL 15 Cb 0.34 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.76 2wdk n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wdk n HIS 16 N 0.00 -0.65 -3.65 6.34 -0.00 -1.24 -4.28 115.22 111.74 2wdk n HIS 16 Ca 0.00 -2.70 -0.06 0.00 -0.00 0.00 0.00 57.72 54.95 2wdk n HIS 16 Cb 0.00 0.44 -0.07 0.00 -0.00 0.00 0.00 29.99 30.36 2wdk n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2wdk s PHE 17 N -1.57 -1.04 0.00 4.41 -0.00 -1.26 -3.99 117.98 114.53 2wdk s PHE 17 Ca 0.28 2.02 0.00 0.00 -0.00 0.00 0.00 56.93 59.23 2wdk s PHE 17 Cb 0.39 0.60 0.00 0.00 -0.00 0.00 0.00 43.02 44.01 2wdk s PHE 17 CO -0.04 -0.53 0.00 0.41 -0.00 0.00 0.00 175.22 175.07 2wdk n GLY 18 N 4.58 2.19 0.00 1.99 0.00 -1.26 -4.73 105.19 107.97 2wdk n GLY 18 Ca -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2wdk n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wdk n HIS 19 N 1.76 0.00 -0.85 1.61 -0.00 -1.24 -4.62 115.22 111.89 2wdk n HIS 19 Ca 0.00 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.90 2wdk n HIS 19 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2wdk n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wdk n GLU 20 N 0.00 0.00 -4.42 1.57 -0.58 -1.26 -2.99 120.64 112.96 2wdk n GLU 20 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2wdk n GLU 20 Cb 0.00 -0.65 -0.17 0.00 -0.57 0.00 0.00 31.44 30.06 2wdk n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2wdk s ARG 21 N -0.65 2.18 -1.42 3.49 1.70 -1.26 -3.71 118.95 119.28 2wdk s ARG 21 Ca 0.39 -0.54 -0.10 0.00 -0.47 0.00 0.00 55.73 55.00 2wdk s ARG 21 Cb -0.44 -1.87 0.04 0.00 -0.57 0.00 0.00 34.95 32.12 2wdk s ARG 21 CO 0.40 -0.07 1.05 1.63 -1.08 0.00 0.00 175.30 177.22 2wdk n LYS 22 N 4.24 -6.60 -0.48 3.89 4.76 -1.26 -4.71 118.16 117.99 2wdk n LYS 22 Ca -0.19 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2wdk n LYS 22 Cb 0.51 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 28.04 2wdk n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdk n ARG 23 N -4.76 0.00 0.00 1.97 1.74 -1.26 -5.11 116.66 109.24 2wdk n ARG 23 Ca -0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2wdk n ARG 23 Cb 0.56 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2wdk n ARG 23 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2wdk n TRP 24 N 0.00 -0.00 -3.28 -1.55 4.27 -1.26 -4.70 117.44 110.92 2wdk n TRP 24 Ca 0.00 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.55 2wdk n TRP 24 Cb 0.50 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.40 2wdk n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2wdk s ASN 25 N -1.05 -0.13 0.00 -0.67 3.84 -1.21 -4.89 114.94 110.83 2wdk s ASN 25 Ca 0.00 0.03 0.00 0.00 0.21 0.00 0.00 52.86 53.10 2wdk s ASN 25 Cb 0.00 1.36 0.00 0.00 -0.55 0.00 0.00 41.25 42.06 2wdk s ASN 25 CO 0.00 -0.32 0.61 -0.81 -2.79 0.00 0.00 177.10 173.79 2wdk n PRO 26 N 5.37 0.00 0.12 0.43 -0.04 -1.26 0.02 135.00 139.65 2wdk n PRO 26 Ca -0.00 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2wdk n PRO 26 Cb 0.50 -1.82 0.35 0.00 -0.04 0.00 0.00 33.50 32.50 2wdk n PRO 26 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wdk h LYS 27 N 0.00 0.00 -0.64 0.54 1.57 -1.95 -3.14 116.57 112.95 2wdk h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdk h LYS 27 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2wdk h LYS 27 CO 0.00 0.00 0.00 0.34 -0.57 0.00 0.00 179.45 179.22 2wdk n PHE 28 N -2.41 1.60 0.28 -1.35 -0.00 0.10 -4.53 117.46 111.15 2wdk n PHE 28 Ca 0.05 -0.60 0.14 0.00 -0.00 0.00 0.00 57.45 57.04 2wdk n PHE 28 Cb 0.45 -0.33 0.66 0.00 -0.00 0.00 0.00 39.48 40.26 2wdk n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdk h ALA 29 N 3.96 1.00 0.11 3.13 0.00 -1.71 -2.96 119.26 122.80 2wdk h ALA 29 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2wdk h ALA 29 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2wdk h ALA 29 CO 0.31 0.00 -1.21 0.07 0.00 0.00 0.00 179.25 178.42 2wdk h ARG 30 N 0.00 0.24 -0.90 0.00 0.11 -1.88 -3.26 114.38 108.68 2wdk h ARG 30 Ca 0.00 -0.40 -0.18 0.00 0.10 0.00 0.00 59.98 59.50 2wdk h ARG 30 Cb 0.19 0.15 -0.11 0.00 1.11 0.00 0.00 29.97 31.31 2wdk h ARG 30 CO 0.00 1.19 0.23 0.66 0.10 0.00 0.00 179.97 182.15 2wdk n TYR 31 N -3.51 1.57 -4.24 4.08 0.53 -1.12 -4.87 117.16 109.60 2wdk n TYR 31 Ca -0.07 -0.94 -0.28 0.00 -1.02 0.00 0.00 57.90 55.59 2wdk n TYR 31 Cb 1.01 -0.53 -0.09 0.00 -1.03 0.00 0.00 39.34 38.70 2wdk n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 2wdk s ILE 32 N -1.98 3.37 -0.01 -0.72 1.10 -1.23 -2.55 121.20 119.17 2wdk s ILE 32 Ca 0.33 -1.42 0.00 0.00 -0.51 0.00 0.00 60.65 59.05 2wdk s ILE 32 Cb 0.27 -2.63 -0.01 0.00 0.15 0.00 0.00 42.46 40.24 2wdk s ILE 32 CO 0.08 0.00 -0.01 0.00 -2.11 0.00 0.00 174.94 172.90 2wdk n TYR 33 N 0.34 0.00 -3.13 3.50 9.36 0.13 -4.49 117.16 122.86 2wdk n TYR 33 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 2wdk n TYR 33 Cb 0.54 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 2wdk n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdk n ALA 34 N -2.39 0.00 -0.24 2.98 0.00 -1.08 -5.01 120.51 114.77 2wdk n ALA 34 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wdk n ALA 34 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wdk n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wdk n GLU 35 N 0.00 1.30 -0.41 0.00 2.13 -1.26 -1.49 120.64 120.91 2wdk n GLU 35 Ca 0.00 -0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.61 2wdk n GLU 35 Cb 0.00 -0.32 -0.02 0.00 0.27 0.00 0.00 31.44 31.37 2wdk n GLU 35 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wdk n ARG 36 N -0.20 0.00 -3.61 5.31 3.00 -1.26 -1.84 116.66 118.07 2wdk n ARG 36 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.62 2wdk n ARG 36 Cb 0.06 -0.38 0.07 0.00 0.00 0.00 0.00 32.46 32.21 2wdk n ARG 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2wdk n ASN 37 N 0.44 -3.63 0.00 0.55 3.02 -1.26 -4.02 115.26 110.36 2wdk n ASN 37 Ca 0.05 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 2wdk n ASN 37 Cb 0.03 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.50 2wdk n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdk n GLY 38 N -1.58 1.53 3.20 7.41 0.00 -0.76 -4.92 105.19 110.07 2wdk n GLY 38 Ca -0.15 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2wdk n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wdk n ILE 39 N 0.00 0.13 -3.08 -0.61 5.41 -1.24 -4.71 119.36 115.26 2wdk n ILE 39 Ca 0.00 -0.49 -0.42 0.00 1.00 0.00 0.00 62.75 62.83 2wdk n ILE 39 Cb 0.00 -0.05 -0.06 0.00 -0.71 0.00 0.00 39.64 38.82 2wdk n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2wdk s HIS 40 N -1.99 3.09 -0.48 1.39 3.76 -1.16 -4.08 115.29 115.82 2wdk s HIS 40 Ca 0.53 0.19 -0.28 0.00 -0.15 0.00 0.00 55.06 55.35 2wdk s HIS 40 Cb -0.41 -3.31 -0.01 0.00 1.11 0.00 0.00 32.58 29.96 2wdk s HIS 40 CO 0.70 -0.78 1.67 0.42 -0.85 0.00 0.00 174.74 175.90 2wdk s ILE 41 N 2.87 3.58 0.06 0.60 1.09 -0.55 -3.60 121.20 125.24 2wdk s ILE 41 Ca 0.25 0.51 -0.30 0.00 -1.10 0.00 0.00 60.65 60.01 2wdk s ILE 41 Cb -0.14 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.21 2wdk s ILE 41 CO 0.18 -0.80 1.04 -0.51 -0.10 0.00 0.00 174.94 174.75 2wdk s ILE 42 N 7.12 4.48 -0.35 2.92 2.07 -1.26 0.18 121.20 136.36 2wdk s ILE 42 Ca 0.67 1.86 -0.27 0.00 -1.41 0.00 0.00 60.65 61.50 2wdk s ILE 42 Cb -0.15 -4.19 -0.05 0.00 0.13 0.00 0.00 42.46 38.19 2wdk s ILE 42 CO 0.28 0.19 2.25 -0.62 -1.91 0.00 0.00 174.94 175.13 2wdk s ASP 43 N 0.69 5.08 0.11 4.50 2.15 -1.06 -4.74 116.67 123.41 2wdk s ASP 43 Ca 0.52 1.47 -0.23 0.00 0.43 0.00 0.00 52.55 54.74 2wdk s ASP 43 Cb -0.24 -2.51 -0.08 0.00 -0.30 0.00 0.00 42.92 39.78 2wdk s ASP 43 CO 0.29 -2.32 1.70 -0.07 -0.17 0.00 0.00 175.17 174.60 2wdk h LEU 44 N 16.78 -0.29 0.00 -1.34 4.07 -1.91 -3.13 115.31 129.49 2wdk h LEU 44 Ca -0.33 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2wdk h LEU 44 Cb 1.24 0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.11 2wdk h LEU 44 CO 1.05 -0.14 0.00 1.67 -1.08 0.00 0.00 178.44 179.94 2wdk n GLN 45 N -5.23 0.00 -0.38 1.13 7.27 -1.26 -1.52 117.38 117.39 2wdk n GLN 45 Ca -0.05 0.85 0.37 0.00 0.07 0.00 0.00 57.00 58.24 2wdk n GLN 45 Cb 0.15 -1.49 0.74 0.00 2.41 0.00 0.00 30.24 32.05 2wdk n GLN 45 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2wdk h LYS 46 N 0.00 0.04 -0.76 3.69 3.64 -1.98 0.74 116.57 121.94 2wdk h LYS 46 Ca 0.00 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2wdk h LYS 46 Cb 0.00 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2wdk h LYS 46 CO 0.00 0.02 0.50 1.15 -2.27 0.00 0.00 179.45 178.85 2wdk h THR 47 N 0.04 0.88 0.18 1.00 2.02 -1.21 -1.49 112.91 114.33 2wdk h THR 47 Ca 0.63 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.62 2wdk h THR 47 Cb 2.43 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2wdk h THR 47 CO -0.05 0.11 -0.50 0.00 0.37 0.00 0.00 175.52 175.45 2wdk h MET 48 N 0.58 -0.74 0.00 6.66 -0.00 0.51 0.16 114.93 122.10 2wdk h MET 48 Ca 0.36 0.05 0.00 0.00 -0.00 0.00 0.00 59.70 60.11 2wdk h MET 48 Cb 0.61 0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 2wdk h MET 48 CO -0.13 -0.49 0.00 0.39 -0.00 0.00 0.00 176.91 176.67 2wdk n GLU 49 N -5.50 0.04 -0.06 -0.10 1.02 -0.64 -1.08 120.64 114.32 2wdk n GLU 49 Ca -0.09 0.31 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 2wdk n GLU 49 Cb 0.41 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2wdk n GLU 49 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2wdk h GLU 50 N 0.00 0.00 0.00 3.49 4.39 0.08 -3.10 114.58 119.43 2wdk h GLU 50 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2wdk h GLU 50 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2wdk h GLU 50 CO 0.00 0.48 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.99 2wdk h LEU 51 N -1.00 0.00 0.00 1.33 4.07 -0.81 -2.50 115.31 116.41 2wdk h LEU 51 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2wdk h LEU 51 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2wdk h LEU 51 CO -0.01 0.26 0.00 1.21 -1.08 0.00 0.00 178.44 178.82 2wdk n GLU 52 N -3.98 0.00 0.16 1.13 2.13 -0.24 -0.32 120.64 119.52 2wdk n GLU 52 Ca -0.02 0.65 0.16 0.00 0.66 0.00 0.00 57.16 58.62 2wdk n GLU 52 Cb 0.33 -1.48 0.75 0.00 0.27 0.00 0.00 31.44 31.31 2wdk n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2wdk h ARG 53 N 0.00 0.00 0.13 5.31 2.43 -1.54 -2.63 114.38 118.09 2wdk h ARG 53 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wdk h ARG 53 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wdk h ARG 53 CO 0.00 0.00 -0.06 1.15 -1.51 0.00 0.00 179.97 179.55 2wdk h THR 54 N 0.00 0.00 -0.02 0.20 2.02 -0.85 -2.97 112.91 111.29 2wdk h THR 54 Ca 0.11 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2wdk h THR 54 Cb 0.52 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2wdk h THR 54 CO -0.00 0.00 0.25 -0.26 0.37 0.00 0.00 175.52 175.88 2wdk h PHE 55 N -0.20 0.00 -0.19 3.16 0.04 -0.58 0.80 116.94 119.97 2wdk h PHE 55 Ca -0.02 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2wdk h PHE 55 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2wdk h PHE 55 CO 0.17 0.00 0.05 0.00 -0.60 0.00 0.00 178.31 177.93 2wdk h ARG 56 N 0.00 0.12 0.00 1.51 2.47 -1.32 0.75 114.38 117.92 2wdk h ARG 56 Ca 0.01 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 2wdk h ARG 56 Cb 0.52 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 2wdk h ARG 56 CO -0.00 0.08 -0.71 0.35 0.56 0.00 0.00 179.97 180.25 2wdk h PHE 57 N 0.13 0.00 0.11 3.04 3.57 0.56 -1.93 116.94 122.42 2wdk h PHE 57 Ca 0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2wdk h PHE 57 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2wdk h PHE 57 CO -0.13 0.71 -0.05 0.82 -2.23 0.00 0.00 178.31 177.43 2wdk h ILE 58 N 0.00 0.00 -0.25 1.41 1.08 0.30 -3.18 117.51 116.88 2wdk h ILE 58 Ca -0.01 -0.08 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2wdk h ILE 58 Cb 1.37 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 2wdk h ILE 58 CO 0.09 0.00 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.30 2wdk h GLU 59 N -0.22 -0.15 -2.22 2.37 4.81 0.35 -0.77 114.58 118.74 2wdk h GLU 59 Ca -0.01 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 2wdk h GLU 59 Cb 0.11 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2wdk h GLU 59 CO 0.02 -0.10 -0.10 -3.47 -0.73 0.00 0.00 179.01 174.63 2wdk n ASP 60 N -5.33 3.76 0.00 1.04 4.64 -0.72 -2.11 116.55 117.83 2wdk n ASP 60 Ca -0.01 -2.15 0.00 0.00 -1.38 0.00 0.00 54.79 51.25 2wdk n ASP 60 Cb 0.25 -0.96 0.00 0.00 -1.04 0.00 0.00 41.12 39.36 2wdk n ASP 60 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2wdk n LEU 61 N 2.41 0.00 -0.07 -2.67 7.94 -0.56 -4.79 117.00 119.25 2wdk n LEU 61 Ca 0.23 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.07 2wdk n LEU 61 Cb 0.59 0.41 0.12 0.00 0.53 0.00 0.00 43.42 45.07 2wdk n LEU 61 CO 0.12 -0.46 0.75 0.00 -1.11 0.00 0.00 177.39 176.69 2wdk h ALA 62 N 0.00 0.96 0.00 1.96 0.00 -0.74 1.09 119.26 122.53 2wdk h ALA 62 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wdk h ALA 62 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wdk h ALA 62 CO 0.00 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2wdk n MET 63 N -4.14 0.08 -0.05 0.00 0.00 -0.89 -3.20 117.12 108.92 2wdk n MET 63 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 57.70 57.81 2wdk n MET 63 Cb 0.40 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.16 2wdk n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2wdk n ARG 64 N -1.45 2.96 -0.08 3.17 1.85 -0.90 -4.98 116.66 117.23 2wdk n ARG 64 Ca 0.07 -1.64 0.00 0.00 -1.00 0.00 0.00 57.85 55.28 2wdk n ARG 64 Cb 0.25 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 2wdk n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wdk n GLY 65 N -0.23 0.49 3.53 2.89 0.00 -0.87 -5.01 105.19 105.98 2wdk n GLY 65 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2wdk n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLY 66 N -2.00 -0.11 3.77 -0.02 0.00 0.37 -4.91 105.19 102.28 2wdk n GLY 66 Ca 0.00 0.75 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 2wdk n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wdk s THR 67 N 10.73 2.82 0.11 2.61 -4.23 -1.26 -4.49 115.64 121.93 2wdk s THR 67 Ca 1.12 0.67 0.08 0.00 -1.18 0.00 0.00 61.69 62.38 2wdk s THR 67 Cb -0.57 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 2wdk s THR 67 CO 0.34 0.05 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.65 2wdk s ILE 68 N -1.37 1.64 -0.27 2.99 -1.09 -1.26 -2.17 121.20 119.66 2wdk s ILE 68 Ca 0.60 -1.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2wdk s ILE 68 Cb -0.34 -1.55 0.08 0.00 -1.58 0.00 0.00 42.46 39.06 2wdk s ILE 68 CO 0.43 -0.15 0.00 -0.22 -1.23 0.00 0.00 174.94 173.76 2wdk s LEU 69 N -2.07 2.97 0.21 2.97 1.98 -1.13 -3.27 118.68 120.34 2wdk s LEU 69 Ca 0.07 -1.48 -0.27 0.00 -2.89 0.00 0.00 54.13 49.56 2wdk s LEU 69 Cb -0.09 -1.21 -0.09 0.00 0.66 0.00 0.00 46.19 45.47 2wdk s LEU 69 CO 0.04 -0.30 0.85 -0.36 -1.89 0.00 0.00 176.35 174.69 2wdk s PHE 70 N 1.34 3.91 -0.09 5.38 0.40 -0.81 -1.76 117.98 126.35 2wdk s PHE 70 Ca 0.01 1.75 0.00 0.00 -0.60 0.00 0.00 56.93 58.09 2wdk s PHE 70 Cb -0.19 -2.86 0.02 0.00 0.51 0.00 0.00 43.02 40.51 2wdk s PHE 70 CO -0.10 0.46 -0.07 0.08 0.70 0.00 0.00 175.22 176.29 2wdk s VAL 71 N -1.21 0.88 -0.38 -0.44 1.01 0.44 0.69 120.40 121.38 2wdk s VAL 71 Ca 0.39 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2wdk s VAL 71 Cb -0.24 -0.90 0.18 0.00 0.00 0.00 0.00 36.38 35.43 2wdk s VAL 71 CO 0.28 0.33 0.62 -0.83 0.00 0.00 0.00 175.10 175.50 2wdk s GLY 72 N 1.43 -1.27 0.27 4.51 0.00 -0.25 -1.58 107.32 110.42 2wdk s GLY 72 Ca -0.01 0.41 0.22 0.00 0.00 0.00 0.00 44.72 45.35 2wdk s GLY 72 CO -0.04 3.68 1.21 -0.91 0.00 0.00 0.00 173.10 177.03 2wdk h THR 73 N 5.22 0.03 -3.90 0.90 1.35 -1.77 -3.38 112.91 111.36 2wdk h THR 73 Ca 0.04 -1.05 -0.48 0.00 -0.55 0.00 0.00 66.41 64.37 2wdk h THR 73 Cb 1.18 1.67 0.01 0.00 -1.73 0.00 0.00 68.15 69.28 2wdk h THR 73 CO 0.11 0.02 0.41 -1.59 -0.25 0.00 0.00 175.52 174.21 2wdk s LYS 74 N -3.30 4.41 0.09 4.72 -2.85 -1.26 -4.84 119.74 116.70 2wdk s LYS 74 Ca 0.02 1.53 -0.24 0.00 -1.00 0.00 0.00 55.97 56.28 2wdk s LYS 74 Cb 0.08 -2.78 -0.15 0.00 -2.06 0.00 0.00 37.83 32.92 2wdk s LYS 74 CO 0.76 0.07 1.73 0.87 0.10 0.00 0.00 175.35 178.88 2wdk h LYS 75 N 3.03 -0.04 -1.27 1.78 1.79 -1.95 -1.65 116.57 118.26 2wdk h LYS 75 Ca -0.47 0.00 0.37 0.00 -2.18 0.00 0.00 60.65 58.37 2wdk h LYS 75 Cb 1.21 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.78 2wdk h LYS 75 CO 0.64 -0.02 0.87 1.96 -1.08 0.00 0.00 179.45 181.82 2wdk h GLN 76 N -0.05 0.13 -1.98 3.15 4.20 -1.94 -1.11 115.11 117.51 2wdk h GLN 76 Ca -0.00 -0.01 -0.51 0.00 0.06 0.00 0.00 58.65 58.19 2wdk h GLN 76 Cb 0.04 -0.03 -0.41 0.00 0.30 0.00 0.00 27.48 27.38 2wdk h GLN 76 CO 0.01 0.09 -0.99 0.00 -0.67 0.00 0.00 178.83 177.27 2wdk n ALA 77 N -2.64 3.19 -2.00 3.87 0.00 -1.09 -4.08 120.51 117.76 2wdk n ALA 77 Ca 0.31 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.89 2wdk n ALA 77 Cb 1.28 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2wdk n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdk n GLN 78 N 0.03 0.00 -0.21 0.00 7.27 -0.42 -4.46 117.38 119.59 2wdk n GLN 78 Ca 0.26 0.00 0.21 0.00 0.07 0.00 0.00 57.00 57.54 2wdk n GLN 78 Cb 0.59 0.00 0.56 0.00 2.41 0.00 0.00 30.24 33.80 2wdk n GLN 78 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 2wdk h ASP 79 N 0.00 0.30 -0.05 1.69 2.03 -1.87 0.51 116.42 119.02 2wdk h ASP 79 Ca 0.00 0.03 0.01 0.00 -0.73 0.00 0.00 57.03 56.35 2wdk h ASP 79 Cb 0.00 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2wdk h ASP 79 CO 0.00 0.12 0.07 -0.29 -1.03 0.00 0.00 179.24 178.11 2wdk h ILE 80 N 0.30 0.41 0.00 4.15 2.10 -1.90 0.79 117.51 123.36 2wdk h ILE 80 Ca 0.45 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 66.19 2wdk h ILE 80 Cb 1.26 0.94 -0.03 0.00 -1.09 0.00 0.00 36.82 37.90 2wdk h ILE 80 CO -0.13 0.00 -0.98 0.58 -1.08 0.00 0.00 178.15 176.53 2wdk h VAL 81 N 0.00 1.43 0.15 2.19 2.07 -0.20 -3.19 116.25 118.70 2wdk h VAL 81 Ca 0.02 -3.08 -0.01 0.00 0.82 0.00 0.00 66.70 64.46 2wdk h VAL 81 Cb 0.16 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2wdk h VAL 81 CO -0.00 0.81 -0.07 -0.09 0.02 0.00 0.00 177.57 178.24 2wdk h ARG 82 N 0.00 -0.20 0.00 1.57 2.43 0.74 -2.66 114.38 116.26 2wdk h ARG 82 Ca -0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wdk h ARG 82 Cb 1.71 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 2wdk h ARG 82 CO 0.11 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.24 2wdk n MET 83 N -5.10 0.00 -0.18 0.20 2.81 -0.22 -0.39 117.12 114.24 2wdk n MET 83 Ca -0.09 0.24 0.29 0.00 -1.81 0.00 0.00 57.70 56.33 2wdk n MET 83 Cb 0.17 -0.99 0.62 0.00 -0.71 0.00 0.00 33.22 32.30 2wdk n MET 83 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2wdk h GLU 84 N 0.00 0.00 0.12 0.03 4.39 -1.69 0.13 114.58 117.55 2wdk h GLU 84 Ca 0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 2wdk h GLU 84 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2wdk h GLU 84 CO 0.00 0.00 -0.82 0.00 -1.16 0.00 0.00 179.01 177.03 2wdk h ALA 85 N 1.00 -0.03 -0.59 3.43 0.00 -1.17 -3.31 119.26 118.60 2wdk h ALA 85 Ca 0.45 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2wdk h ALA 85 Cb 2.34 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 20.27 2wdk h ALA 85 CO -0.00 0.41 0.13 0.93 0.00 0.00 0.00 179.25 180.72 2wdk h GLU 86 N -0.46 0.92 -2.18 0.00 5.08 0.17 0.11 114.58 118.22 2wdk h GLU 86 Ca -0.16 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 2wdk h GLU 86 Cb 1.57 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 2wdk h GLU 86 CO 0.11 0.84 -0.18 -2.13 -1.00 0.00 0.00 179.01 176.64 2wdk n ARG 87 N -4.25 1.48 0.00 2.33 0.00 0.20 0.50 116.66 116.91 2wdk n ARG 87 Ca 0.04 -0.69 0.00 0.00 -0.00 0.00 0.00 57.85 57.21 2wdk n ARG 87 Cb 0.25 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 30.92 2wdk n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdk n ALA 88 N 2.46 0.00 -3.79 5.13 0.00 -1.07 -4.93 120.51 118.31 2wdk n ALA 88 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 2wdk n ALA 88 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 2wdk n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdk n GLY 89 N 0.00 -0.23 3.78 0.00 0.00 0.18 -4.93 105.19 103.99 2wdk n GLY 89 Ca 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2wdk n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wdk s MET 90 N -5.84 3.18 0.39 1.61 -1.94 -1.00 -4.97 119.30 110.73 2wdk s MET 90 Ca 0.42 -0.32 -0.23 0.00 -1.71 0.00 0.00 55.69 53.85 2wdk s MET 90 Cb -0.24 -2.96 -0.14 0.00 2.01 0.00 0.00 34.83 33.49 2wdk s MET 90 CO 0.76 0.72 0.39 -2.30 -0.01 0.00 0.00 175.02 174.58 2wdk n PRO 91 N 1.87 0.32 -3.87 2.03 -0.02 -1.20 -4.73 135.00 129.38 2wdk n PRO 91 Ca -0.18 0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 2wdk n PRO 91 Cb 0.54 -1.27 0.01 0.00 -0.02 0.00 0.00 33.50 32.75 2wdk n PRO 91 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2wdk s TYR 92 N -1.48 0.30 -0.05 6.00 -0.85 0.12 -1.92 117.35 119.48 2wdk s TYR 92 Ca 0.62 -0.87 -0.02 0.00 -0.52 0.00 0.00 57.07 56.28 2wdk s TYR 92 Cb -0.66 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.34 2wdk s TYR 92 CO 0.60 -1.45 0.08 0.08 -1.52 0.00 0.00 175.55 173.34 2wdk s VAL 93 N -2.61 -0.14 -0.04 -3.49 1.01 0.22 -3.61 120.40 111.75 2wdk s VAL 93 Ca 0.18 0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.66 2wdk s VAL 93 Cb -0.04 -0.18 -0.16 0.00 0.00 0.00 0.00 36.38 36.00 2wdk s VAL 93 CO 0.13 0.16 0.20 -3.20 0.00 0.00 0.00 175.10 172.39 2wdk n ASN 94 N 5.16 2.42 0.00 3.32 2.85 -1.26 -1.09 115.26 126.66 2wdk n ASN 94 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2wdk n ASN 94 Cb 0.50 1.34 0.00 0.00 1.24 0.00 0.00 39.78 42.86 2wdk n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wdk n GLN 95 N -2.01 3.75 -1.68 1.20 1.13 -1.26 -4.39 117.38 114.12 2wdk n GLN 95 Ca -0.06 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 2wdk n GLN 95 Cb 0.42 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.74 2wdk n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2wdk s ARG 96 N 2.97 3.94 -0.97 -1.09 3.00 -1.26 -4.54 118.95 121.00 2wdk s ARG 96 Ca 0.00 2.46 -0.21 0.00 0.00 0.00 0.00 55.73 57.98 2wdk s ARG 96 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 34.95 30.65 2wdk s ARG 96 CO 0.00 -1.19 1.96 1.87 0.00 0.00 0.00 175.30 177.94 2wdk n TRP 97 N 8.36 2.40 -0.88 -0.53 -0.00 -1.26 -4.94 117.44 120.60 2wdk n TRP 97 Ca 0.22 -1.95 -0.28 0.00 -0.00 0.00 0.00 57.50 55.48 2wdk n TRP 97 Cb 0.42 -2.04 -0.00 0.00 -0.00 0.00 0.00 31.31 29.69 2wdk n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2wdk n LEU 98 N 8.65 -1.91 -4.65 5.87 4.77 -1.26 -4.85 117.00 123.62 2wdk n LEU 98 Ca 0.49 0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 56.59 2wdk n LEU 98 Cb 0.42 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2wdk n LEU 98 CO 0.94 -2.81 0.95 -0.83 -1.33 0.00 0.00 177.39 174.31 2wdk s GLY 99 N -0.67 1.65 0.00 -0.72 0.00 -1.26 -3.15 107.32 103.16 2wdk s GLY 99 Ca 0.40 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2wdk s GLY 99 CO 0.42 2.24 0.00 0.61 0.00 0.00 0.00 173.10 176.37 2wdk n GLY 100 N 3.52 0.89 0.12 0.20 0.00 -1.26 -4.83 105.19 103.82 2wdk n GLY 100 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2wdk n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdk n MET 101 N -1.51 0.07 0.05 1.61 0.00 -1.19 0.57 117.12 116.71 2wdk n MET 101 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 57.70 58.20 2wdk n MET 101 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.22 2wdk n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wdk n LEU 102 N -1.85 0.11 -0.25 4.03 4.32 -1.26 -4.34 117.00 117.76 2wdk n LEU 102 Ca -0.01 0.15 -0.05 0.00 -0.02 0.00 0.00 56.01 56.08 2wdk n LEU 102 Cb 0.30 0.06 0.05 0.00 -1.62 0.00 0.00 43.42 42.22 2wdk n LEU 102 CO 0.04 -0.51 1.16 0.74 -1.22 0.00 0.00 177.39 177.61 2wdk h THR 103 N 0.00 1.18 -0.57 -5.08 2.02 -1.83 -1.92 112.91 106.71 2wdk h THR 103 Ca 0.00 -0.33 -0.38 0.00 0.77 0.00 0.00 66.41 66.47 2wdk h THR 103 Cb 0.21 0.16 -0.24 0.00 -1.74 0.00 0.00 68.15 66.54 2wdk h THR 103 CO 0.00 0.17 -0.22 -3.20 0.37 0.00 0.00 175.52 172.65 2wdk n ASN 104 N -4.60 4.06 -0.15 4.18 5.15 0.19 -4.77 115.26 119.33 2wdk n ASN 104 Ca 0.06 -3.79 -0.05 0.00 -0.60 0.00 0.00 54.58 50.20 2wdk n ASN 104 Cb 0.02 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 38.70 2wdk n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2wdk h PHE 105 N 1.56 -0.63 -1.00 1.20 3.57 0.96 -1.33 116.94 121.27 2wdk h PHE 105 Ca 0.32 0.05 0.38 0.00 3.53 0.00 0.00 57.97 62.26 2wdk h PHE 105 Cb 1.45 0.35 -0.18 0.00 2.79 0.00 0.00 35.95 40.36 2wdk h PHE 105 CO 1.03 -0.32 0.43 -0.22 -2.23 0.00 0.00 178.31 176.99 2wdk h LYS 106 N -0.14 0.01 0.00 1.11 3.64 -1.85 0.38 116.57 119.73 2wdk h LYS 106 Ca 0.22 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.38 2wdk h LYS 106 Cb 0.48 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2wdk h LYS 106 CO -0.56 0.01 -1.59 2.41 -2.27 0.00 0.00 179.45 177.46 2wdk n THR 107 N -5.30 1.32 0.33 1.00 -1.04 -0.58 -3.32 114.28 106.68 2wdk n THR 107 Ca 0.34 -0.73 0.15 0.00 -2.04 0.00 0.00 64.05 61.77 2wdk n THR 107 Cb 1.16 -0.81 0.58 0.00 -1.82 0.00 0.00 70.33 69.43 2wdk n THR 107 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2wdk h ILE 108 N 0.00 0.00 0.08 12.58 1.08 0.09 -2.41 117.51 128.92 2wdk h ILE 108 Ca -0.23 -0.44 -0.26 0.00 -0.39 0.00 0.00 64.86 63.54 2wdk h ILE 108 Cb 1.76 1.35 0.01 0.00 -3.07 0.00 0.00 36.82 36.87 2wdk h ILE 108 CO 0.06 0.00 -1.12 0.28 -0.69 0.00 0.00 178.15 176.67 2wdk h SER 109 N 0.00 0.61 0.05 1.72 0.02 -0.42 -3.11 113.55 112.41 2wdk h SER 109 Ca 0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2wdk h SER 109 Cb 0.50 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2wdk h SER 109 CO 0.00 1.38 0.00 0.00 -1.14 0.00 0.00 176.83 177.07 2wdk n GLN 110 N -3.70 0.06 -0.08 3.45 6.02 -0.91 -0.56 117.38 121.67 2wdk n GLN 110 Ca -0.09 0.19 -0.08 0.00 -0.01 0.00 0.00 57.00 57.00 2wdk n GLN 110 Cb 0.94 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.54 2wdk n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wdk n ARG 111 N -1.21 0.68 0.07 -1.09 5.12 -1.18 -3.50 116.66 115.54 2wdk n ARG 111 Ca 0.02 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 2wdk n ARG 111 Cb 0.02 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 2wdk n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wdk h VAL 112 N 0.00 1.41 -0.01 1.55 2.07 -0.91 -2.07 116.25 118.29 2wdk h VAL 112 Ca -0.47 -2.39 -0.09 0.00 0.82 0.00 0.00 66.70 64.57 2wdk h VAL 112 Cb 2.12 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 34.22 2wdk h VAL 112 CO 0.04 0.71 -0.43 -0.74 0.02 0.00 0.00 177.57 177.17 2wdk h HIS 113 N 0.22 0.03 -0.00 1.57 -0.00 -1.49 -1.70 115.15 113.79 2wdk h HIS 113 Ca -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2wdk h HIS 113 Cb 1.49 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.89 2wdk h HIS 113 CO 0.05 0.45 -0.12 -2.13 -0.00 0.00 0.00 177.93 176.18 2wdk n ARG 114 N -4.03 0.63 0.05 5.26 3.00 -1.11 -1.73 116.66 118.73 2wdk n ARG 114 Ca -0.02 -0.22 -0.18 0.00 -0.00 0.00 0.00 57.85 57.44 2wdk n ARG 114 Cb 0.46 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.28 2wdk n ARG 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2wdk h LEU 115 N 0.53 0.41 0.00 6.15 5.85 -0.60 -3.08 115.31 124.57 2wdk h LEU 115 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2wdk h LEU 115 Cb 0.37 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2wdk h LEU 115 CO 0.00 1.55 -0.43 1.05 -0.34 0.00 0.00 178.44 180.26 2wdk h GLU 116 N 0.07 0.00 -0.23 1.25 4.11 -1.41 0.91 114.58 119.29 2wdk h GLU 116 Ca -0.30 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.94 2wdk h GLU 116 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2wdk h GLU 116 CO 0.15 0.00 -0.60 0.93 0.07 0.00 0.00 179.01 179.56 2wdk h GLU 117 N 0.00 0.81 0.00 1.06 5.08 -1.43 -2.16 114.58 117.94 2wdk h GLU 117 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2wdk h GLU 117 Cb 0.99 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wdk h GLU 117 CO 0.00 1.19 -0.44 1.28 -1.00 0.00 0.00 179.01 180.04 2wdk n LEU 118 N -4.03 0.54 0.04 1.33 4.77 -1.16 -2.81 117.00 115.68 2wdk n LEU 118 Ca -0.06 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2wdk n LEU 118 Cb 0.65 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2wdk n LEU 118 CO 0.50 0.01 0.48 -0.08 -1.33 0.00 0.00 177.39 176.97 2wdk h GLU 119 N 0.00 0.42 0.40 3.23 4.57 -0.59 -1.79 114.58 120.82 2wdk h GLU 119 Ca 0.00 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 2wdk h GLU 119 Cb 0.62 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2wdk h GLU 119 CO 0.00 0.88 -0.19 0.00 -1.18 0.00 0.00 179.01 178.52 2wdk h ALA 120 N 1.06 -0.62 0.00 2.92 0.00 -1.33 -2.96 119.26 118.34 2wdk h ALA 120 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdk h ALA 120 Cb 1.10 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wdk h ALA 120 CO 0.10 -0.58 0.17 -0.11 0.00 0.00 0.00 179.25 178.84 2wdk n LEU 121 N -4.69 0.07 0.22 0.00 0.00 -1.12 -2.19 117.00 109.29 2wdk n LEU 121 Ca -0.07 0.39 -0.08 0.00 0.00 0.00 0.00 56.01 56.25 2wdk n LEU 121 Cb 0.21 -0.38 -0.04 0.00 0.00 0.00 0.00 43.42 43.21 2wdk n LEU 121 CO 0.16 -0.41 0.47 0.15 0.00 0.00 0.00 177.39 177.75 2wdk h PHE 122 N 0.00 -0.51 -1.22 1.96 3.57 -1.14 -3.31 116.94 116.29 2wdk h PHE 122 Ca 0.00 -0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.81 2wdk h PHE 122 Cb 0.34 0.17 -0.31 0.00 2.79 0.00 0.00 35.95 38.94 2wdk h PHE 122 CO 0.00 -0.32 0.59 0.00 -2.23 0.00 0.00 178.31 176.35 2wdk n ALA 123 N -2.31 6.13 -2.52 2.41 0.00 -0.93 -4.94 120.51 118.35 2wdk n ALA 123 Ca -0.07 -3.72 -0.25 0.00 0.00 0.00 0.00 53.44 49.40 2wdk n ALA 123 Cb 0.22 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 2wdk n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdk s SER 124 N -2.01 3.90 0.00 0.00 0.15 -1.16 -5.00 113.70 109.59 2wdk s SER 124 Ca 0.59 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2wdk s SER 124 Cb 0.47 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2wdk s SER 124 CO -0.11 0.06 0.37 -0.81 1.20 0.00 0.00 173.24 173.96 2wdk n PRO 125 N -0.36 0.43 -0.01 5.44 -0.04 -1.26 -2.70 135.00 136.50 2wdk n PRO 125 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2wdk n PRO 125 Cb 0.58 -1.05 0.68 0.00 -0.04 0.00 0.00 33.50 33.67 2wdk n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdk n GLU 126 N -0.30 1.22 0.00 0.54 1.02 -1.26 -2.72 120.64 119.14 2wdk n GLU 126 Ca 0.00 -0.33 0.14 0.00 -0.02 0.00 0.00 57.16 56.95 2wdk n GLU 126 Cb 0.03 -1.42 0.53 0.00 -0.02 0.00 0.00 31.44 30.55 2wdk n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wdk n ILE 127 N -0.55 0.00 0.05 -3.67 2.08 -1.10 -3.71 119.36 112.48 2wdk n ILE 127 Ca 0.19 -0.19 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 2wdk n ILE 127 Cb 0.17 0.36 0.23 0.00 -0.75 0.00 0.00 39.64 39.66 2wdk n ILE 127 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2wdk h GLU 128 N 1.80 0.37 0.00 0.38 4.57 -1.79 -3.43 114.58 116.48 2wdk h GLU 128 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2wdk h GLU 128 Cb 0.46 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2wdk h GLU 128 CO 0.00 0.63 0.00 0.39 -1.18 0.00 0.00 179.01 178.85 2wdk n GLU 129 N -4.11 0.00 -3.00 1.92 4.71 -1.24 -5.02 120.64 113.90 2wdk n GLU 129 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.13 2wdk n GLU 129 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 2wdk n GLU 129 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2wdk n ARG 130 N 0.00 -0.27 -1.55 3.49 5.12 -1.26 -4.67 116.66 117.53 2wdk n ARG 130 Ca 0.00 0.72 -0.47 0.00 -1.93 0.00 0.00 57.85 56.17 2wdk n ARG 130 Cb 0.00 -0.92 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 2wdk n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2wdk n PRO 131 N 1.20 0.99 0.19 5.56 -0.04 -1.26 -4.44 135.00 137.19 2wdk n PRO 131 Ca -0.00 0.35 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 2wdk n PRO 131 Cb 0.47 -1.70 0.17 0.00 -0.04 0.00 0.00 33.50 32.40 2wdk n PRO 131 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wdk h LYS 132 N 2.33 0.00 0.00 0.54 3.64 -1.98 0.84 116.57 121.95 2wdk h LYS 132 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2wdk h LYS 132 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2wdk h LYS 132 CO 0.63 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.44 2wdk n LYS 133 N -1.99 0.02 0.00 1.90 4.76 -1.26 -2.35 118.16 119.24 2wdk n LYS 133 Ca -0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2wdk n LYS 133 Cb 0.60 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 2wdk n LYS 133 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wdk n GLU 134 N -1.47 1.20 0.00 1.97 -0.58 0.29 -4.24 120.64 117.81 2wdk n GLU 134 Ca 0.03 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.80 2wdk n GLU 134 Cb 0.12 -0.96 0.16 0.00 -0.57 0.00 0.00 31.44 30.19 2wdk n GLU 134 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wdk n GLN 135 N -1.47 0.10 0.00 3.49 6.02 -0.99 -0.88 117.38 123.64 2wdk n GLN 135 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2wdk n GLN 135 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2wdk n GLN 135 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wdk n VAL 136 N -1.26 0.00 0.21 5.09 0.31 -1.24 -4.30 118.33 117.15 2wdk n VAL 136 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 2wdk n VAL 136 Cb 0.05 -0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 32.70 2wdk n VAL 136 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdk h ARG 137 N 0.00 -0.57 -0.17 5.55 1.12 -1.61 0.57 114.38 119.28 2wdk h ARG 137 Ca 0.00 0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 2wdk h ARG 137 Cb 0.35 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 2wdk h ARG 137 CO 0.00 -0.38 -0.02 -0.07 -3.11 0.00 0.00 179.97 176.40 2wdk h LEU 138 N -0.99 0.22 0.82 3.80 3.38 -1.32 0.54 115.31 121.76 2wdk h LEU 138 Ca -0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2wdk h LEU 138 Cb 0.45 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2wdk h LEU 138 CO 0.10 0.28 -0.40 0.50 0.09 0.00 0.00 178.44 179.01 2wdk h LYS 139 N 0.24 -1.07 -0.70 1.13 3.11 -1.61 0.80 116.57 118.47 2wdk h LYS 139 Ca 0.06 0.07 0.17 0.00 -2.81 0.00 0.00 60.65 58.14 2wdk h LYS 139 Cb 0.19 0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.63 2wdk h LYS 139 CO 0.01 -0.71 0.48 1.25 -2.81 0.00 0.00 179.45 177.67 2wdk h HIS 140 N -1.14 0.23 0.55 1.91 2.76 0.80 -2.45 115.15 117.80 2wdk h HIS 140 Ca -0.11 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 2wdk h HIS 140 Cb 0.85 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.75 2wdk h HIS 140 CO -0.01 0.08 -0.26 1.49 -1.30 0.00 0.00 177.93 177.93 2wdk h GLU 141 N 0.19 -0.71 0.00 5.26 4.81 0.04 -2.88 114.58 121.30 2wdk h GLU 141 Ca 0.34 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2wdk h GLU 141 Cb 1.07 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2wdk h GLU 141 CO -0.06 -0.41 0.00 -0.11 -0.73 0.00 0.00 179.01 177.70 2wdk n LEU 142 N -5.29 0.00 0.00 1.64 7.94 0.18 -2.17 117.00 119.31 2wdk n LEU 142 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2wdk n LEU 142 Cb 0.32 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2wdk n LEU 142 CO 0.28 -0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.94 2wdk n GLU 143 N -1.00 0.00 0.18 1.96 -0.58 -0.96 -2.83 120.64 117.41 2wdk n GLU 143 Ca 0.07 0.36 0.06 0.00 -0.42 0.00 0.00 57.16 57.23 2wdk n GLU 143 Cb 0.03 -0.85 0.53 0.00 -0.57 0.00 0.00 31.44 30.59 2wdk n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wdk h ARG 144 N 0.00 0.15 -0.18 3.49 0.11 -1.54 -0.49 114.38 115.92 2wdk h ARG 144 Ca 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.08 2wdk h ARG 144 Cb 0.00 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.03 2wdk h ARG 144 CO 0.00 0.17 0.08 -0.07 0.10 0.00 0.00 179.97 180.24 2wdk h LEU 145 N 0.15 0.10 -0.23 0.08 -0.00 -1.61 0.53 115.31 114.33 2wdk h LEU 145 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2wdk h LEU 145 Cb 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2wdk h LEU 145 CO 0.00 0.08 0.00 1.67 -0.00 0.00 0.00 178.44 180.20 2wdk n GLN 146 N -5.03 0.06 -0.09 1.13 7.27 -0.43 -0.56 117.38 119.73 2wdk n GLN 146 Ca -0.03 0.31 -0.17 0.00 0.07 0.00 0.00 57.00 57.17 2wdk n GLN 146 Cb 0.06 -1.62 -0.10 0.00 2.41 0.00 0.00 30.24 31.00 2wdk n GLN 146 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2wdk h LYS 147 N 0.00 0.00 0.00 3.69 3.64 0.85 -3.31 116.57 121.44 2wdk h LYS 147 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wdk h LYS 147 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wdk h LYS 147 CO 0.00 0.81 -0.34 1.88 -2.27 0.00 0.00 179.45 179.53 2wdk h TYR 148 N -1.00 0.00 -0.26 1.91 0.05 -0.00 -3.35 116.97 114.32 2wdk h TYR 148 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2wdk h TYR 148 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2wdk h TYR 148 CO 0.07 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.46 2wdk n LEU 149 N -2.32 3.12 0.00 3.88 4.77 0.28 -4.73 117.00 122.00 2wdk n LEU 149 Ca 0.04 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 2wdk n LEU 149 Cb 0.45 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2wdk n LEU 149 CO 0.34 0.69 0.23 -1.20 -1.33 0.00 0.00 177.39 176.12 2wdk n SER 150 N -0.07 0.00 0.00 -1.43 7.64 -1.25 -1.87 113.62 116.65 2wdk n SER 150 Ca 0.14 0.47 0.03 0.00 1.01 0.00 0.00 58.87 60.52 2wdk n SER 150 Cb 0.58 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.97 2wdk n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdk n GLY 151 N -0.73 -0.33 2.73 0.23 0.00 -1.26 -3.11 105.19 102.73 2wdk n GLY 151 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2wdk n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdk n PHE 152 N -0.81 3.73 0.00 1.61 -0.00 -0.78 0.14 117.46 121.35 2wdk n PHE 152 Ca 0.05 -3.54 0.00 0.00 -0.00 0.00 0.00 57.45 53.96 2wdk n PHE 152 Cb 0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 2wdk n PHE 152 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2wdk n ARG 153 N -0.35 2.22 0.00 -4.13 1.74 -1.18 -4.84 116.66 110.12 2wdk n ARG 153 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2wdk n ARG 153 Cb 0.50 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 2wdk n ARG 153 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdk n LEU 154 N -2.02 0.00 -0.63 0.55 4.77 -1.26 -4.72 117.00 113.69 2wdk n LEU 154 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2wdk n LEU 154 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2wdk n LEU 154 CO 0.00 0.00 0.29 0.18 -1.33 0.00 0.00 177.39 176.53 2wdk n LEU 155 N 0.00 0.07 -2.75 2.23 7.99 -1.26 -4.79 117.00 118.49 2wdk n LEU 155 Ca 0.00 0.06 -0.39 0.00 -0.01 0.00 0.00 56.01 55.67 2wdk n LEU 155 Cb 0.00 -0.13 0.05 0.00 -0.11 0.00 0.00 43.42 43.23 2wdk n LEU 155 CO 0.00 -0.11 1.52 0.29 -1.51 0.00 0.00 177.39 177.58 2wdk n LYS 156 N 1.15 2.74 -3.20 3.23 5.02 -1.26 -4.77 118.16 121.06 2wdk n LYS 156 Ca 0.09 -3.46 0.04 0.00 -2.02 0.00 0.00 58.31 52.95 2wdk n LYS 156 Cb -0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 35.03 32.70 2wdk n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wdk s ARG 157 N -4.01 0.07 -0.20 1.97 3.52 -1.26 -5.13 118.95 113.91 2wdk s ARG 157 Ca 0.56 0.17 -0.23 0.00 -0.13 0.00 0.00 55.73 56.10 2wdk s ARG 157 Cb 0.46 0.10 -0.10 0.00 -1.56 0.00 0.00 34.95 33.85 2wdk s ARG 157 CO -0.31 -0.03 0.74 1.28 -0.81 0.00 0.00 175.30 176.18 2wdk n LEU 158 N 4.69 0.48 -4.10 -0.88 4.32 -1.26 -4.86 117.00 115.39 2wdk n LEU 158 Ca -0.07 0.59 -0.36 0.00 -0.02 0.00 0.00 56.01 56.15 2wdk n LEU 158 Cb 0.55 -0.44 0.08 0.00 -1.62 0.00 0.00 43.42 41.99 2wdk n LEU 158 CO -0.06 -0.52 -1.52 -2.65 -1.22 0.00 0.00 177.39 171.42 2wdk n PRO 159 N 1.74 -0.54 -0.45 3.23 -0.02 -1.26 -4.90 135.00 132.80 2wdk n PRO 159 Ca 0.14 -0.15 0.10 0.00 -2.02 0.00 0.00 63.50 61.57 2wdk n PRO 159 Cb -0.02 -1.25 0.31 0.00 -0.02 0.00 0.00 33.50 32.52 2wdk n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdk n ASP 160 N 1.67 4.14 0.00 2.55 8.00 -0.92 -5.00 116.55 126.99 2wdk n ASP 160 Ca -0.01 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.23 2wdk n ASP 160 Cb 0.70 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2wdk n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdk n ALA 161 N 1.10 0.00 -3.67 2.24 0.00 -1.25 -4.43 120.51 114.50 2wdk n ALA 161 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 2wdk n ALA 161 Cb 0.72 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 2wdk n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2wdk s ILE 162 N -2.04 -0.34 -0.21 0.00 -4.36 -1.02 -2.82 121.20 110.42 2wdk s ILE 162 Ca 0.00 0.08 -0.10 0.00 -0.26 0.00 0.00 60.65 60.37 2wdk s ILE 162 Cb 0.00 -0.76 -0.05 0.00 1.25 0.00 0.00 42.46 42.90 2wdk s ILE 162 CO 0.00 0.03 0.14 0.12 0.24 0.00 0.00 174.94 175.47 2wdk s PHE 163 N 2.02 3.40 0.02 1.37 5.99 -0.72 -1.67 117.98 128.38 2wdk s PHE 163 Ca -0.07 0.32 0.04 0.00 0.00 0.00 0.00 56.93 57.22 2wdk s PHE 163 Cb -0.09 -2.18 -0.01 0.00 0.00 0.00 0.00 43.02 40.73 2wdk s PHE 163 CO -0.15 0.25 -0.11 0.08 -0.00 0.00 0.00 175.22 175.29 2wdk s VAL 164 N 0.47 0.86 0.00 3.12 1.01 -0.55 -0.42 120.40 124.89 2wdk s VAL 164 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2wdk s VAL 164 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2wdk s VAL 164 CO -0.01 0.06 0.00 1.33 0.00 0.00 0.00 175.10 176.49 2wdk n VAL 165 N 2.32 0.00 -2.60 2.92 0.24 -0.62 0.03 118.33 120.62 2wdk n VAL 165 Ca -0.16 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.72 2wdk n VAL 165 Cb 0.56 -0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 2wdk n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdk s ASP 166 N -1.66 6.20 0.00 -1.34 3.68 -1.26 -3.48 116.67 118.81 2wdk s ASP 166 Ca 0.00 -0.45 0.00 0.00 2.13 0.00 0.00 52.55 54.23 2wdk s ASP 166 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 2wdk s ASP 166 CO 0.00 -1.73 0.65 -0.81 0.13 0.00 0.00 175.17 173.42 2wdk n PRO 167 N 8.98 0.00 -0.36 4.34 -0.04 -1.26 -1.71 135.00 144.96 2wdk n PRO 167 Ca 0.03 0.44 0.29 0.00 -0.04 0.00 0.00 63.50 64.22 2wdk n PRO 167 Cb 0.48 -1.15 0.59 0.00 -0.04 0.00 0.00 33.50 33.38 2wdk n PRO 167 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wdk h THR 168 N 0.00 0.39 0.27 0.52 1.35 -1.94 0.35 112.91 113.86 2wdk h THR 168 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2wdk h THR 168 Cb 0.00 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 2wdk h THR 168 CO 0.00 0.04 -0.28 0.50 -0.25 0.00 0.00 175.52 175.53 2wdk h LYS 169 N 0.24 -0.53 -1.46 4.72 3.11 -1.89 -2.41 116.57 118.35 2wdk h LYS 169 Ca 0.65 0.04 -0.49 0.00 -2.81 0.00 0.00 60.65 58.04 2wdk h LYS 169 Cb 1.94 0.12 -0.20 0.00 -1.00 0.00 0.00 32.23 33.10 2wdk h LYS 169 CO -0.27 -0.35 0.60 0.39 -2.81 0.00 0.00 179.45 177.00 2wdk n GLU 170 N -4.05 2.22 0.02 1.90 4.71 0.38 -4.51 120.64 121.31 2wdk n GLU 170 Ca -0.07 -2.33 0.09 0.00 -0.01 0.00 0.00 57.16 54.85 2wdk n GLU 170 Cb 0.25 -1.94 0.39 0.00 -1.01 0.00 0.00 31.44 29.13 2wdk n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wdk n ALA 171 N -0.02 1.79 0.31 0.62 0.00 0.96 -1.61 120.51 122.56 2wdk n ALA 171 Ca 0.44 -0.04 0.20 0.00 0.00 0.00 0.00 53.44 54.04 2wdk n ALA 171 Cb 0.58 -1.30 0.99 0.00 0.00 0.00 0.00 19.45 19.72 2wdk n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wdk h ILE 172 N 0.00 0.04 0.00 0.00 5.03 -1.83 -2.49 117.51 118.26 2wdk h ILE 172 Ca 0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 2wdk h ILE 172 Cb 0.32 1.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.33 2wdk h ILE 172 CO 0.00 0.01 -0.12 0.00 -0.68 0.00 0.00 178.15 177.36 2wdk h ALA 173 N 1.99 0.00 -0.78 1.87 0.00 -1.66 -3.33 119.26 117.35 2wdk h ALA 173 Ca -0.00 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.04 2wdk h ALA 173 Cb 0.22 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 2wdk h ALA 173 CO 0.00 0.12 0.49 0.28 0.00 0.00 0.00 179.25 180.13 2wdk n VAL 174 N -3.66 -0.18 0.00 0.00 0.31 -1.06 -0.37 118.33 113.37 2wdk n VAL 174 Ca -0.02 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.46 2wdk n VAL 174 Cb 0.06 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 2wdk n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdk n ARG 175 N -4.04 0.00 -0.27 5.55 0.63 -0.96 -1.29 116.66 116.28 2wdk n ARG 175 Ca 0.24 0.18 0.11 0.00 -0.92 0.00 0.00 57.85 57.46 2wdk n ARG 175 Cb 0.92 -1.13 0.21 0.00 0.45 0.00 0.00 32.46 32.91 2wdk n ARG 175 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdk n GLU 176 N -1.03 -0.06 0.00 -0.14 1.02 0.51 -0.64 120.64 120.29 2wdk n GLU 176 Ca 0.00 1.17 0.00 0.00 -0.02 0.00 0.00 57.16 58.31 2wdk n GLU 176 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 2wdk n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdk n ALA 177 N -3.33 -0.02 -0.37 0.62 0.00 -0.81 -1.67 120.51 114.92 2wdk n ALA 177 Ca 0.17 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.92 2wdk n ALA 177 Cb 0.57 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.53 2wdk n ALA 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdk n ARG 178 N -0.58 -0.02 0.18 0.00 3.00 -0.41 0.70 116.66 119.53 2wdk n ARG 178 Ca 0.00 0.88 -0.13 0.00 -0.00 0.00 0.00 57.85 58.60 2wdk n ARG 178 Cb 0.00 -1.78 -0.07 0.00 0.00 0.00 0.00 32.46 30.61 2wdk n ARG 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2wdk h LYS 179 N 0.00 -0.48 -0.55 -0.14 3.64 -0.75 -2.95 116.57 115.35 2wdk h LYS 179 Ca 0.64 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 2wdk h LYS 179 Cb 2.15 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 34.08 2wdk h LYS 179 CO -0.28 -0.16 0.00 1.28 -2.27 0.00 0.00 179.45 178.02 2wdk n LEU 180 N -5.16 0.55 -3.03 5.20 4.77 0.22 -4.87 117.00 114.68 2wdk n LEU 180 Ca -0.10 -0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 2wdk n LEU 180 Cb 0.28 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2wdk n LEU 180 CO 0.29 0.14 0.08 0.49 -1.33 0.00 0.00 177.39 177.05 2wdk n PHE 181 N -0.12 -3.19 -3.72 -1.77 3.72 -0.77 -5.04 117.46 106.57 2wdk n PHE 181 Ca 0.00 1.27 -0.23 0.00 -0.05 0.00 0.00 57.45 58.45 2wdk n PHE 181 Cb 0.14 -3.77 -0.18 0.00 -0.94 0.00 0.00 39.48 34.74 2wdk n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2wdk s ILE 182 N -2.60 0.20 -0.18 4.37 1.01 -1.16 -4.97 121.20 117.86 2wdk s ILE 182 Ca 0.19 0.14 -0.42 0.00 0.00 0.00 0.00 60.65 60.56 2wdk s ILE 182 Cb -0.04 -0.46 -0.19 0.00 0.01 0.00 0.00 42.46 41.78 2wdk s ILE 182 CO 0.78 0.15 1.39 -2.65 0.00 0.00 0.00 174.94 174.62 2wdk n PRO 183 N 5.20 0.40 -3.47 2.79 -0.02 -1.26 -4.06 135.00 134.58 2wdk n PRO 183 Ca -0.06 0.15 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 2wdk n PRO 183 Cb 0.50 -1.70 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 2wdk n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wdk s VAL 184 N 1.59 4.65 -0.17 -1.45 1.01 -1.26 -2.43 120.40 122.34 2wdk s VAL 184 Ca 0.95 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2wdk s VAL 184 Cb -1.25 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 31.16 2wdk s VAL 184 CO 0.64 -0.73 -0.09 -0.63 0.00 0.00 0.00 175.10 174.29 2wdk s ILE 185 N 1.48 3.21 0.03 2.22 1.01 -0.67 -1.48 121.20 126.99 2wdk s ILE 185 Ca 0.04 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 2wdk s ILE 185 Cb -0.27 -2.40 0.09 0.00 0.01 0.00 0.00 42.46 39.89 2wdk s ILE 185 CO 0.02 0.49 0.76 0.00 0.00 0.00 0.00 174.94 176.20 2wdk s ALA 186 N 0.81 -1.75 -0.95 9.38 0.00 -0.83 -1.48 121.76 126.95 2wdk s ALA 186 Ca -0.03 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 2wdk s ALA 186 Cb -0.15 0.37 0.08 0.00 0.00 0.00 0.00 23.12 23.42 2wdk s ALA 186 CO 0.01 -0.61 1.30 -1.17 0.00 0.00 0.00 175.76 175.30 2wdk s LEU 187 N -2.16 4.04 0.00 0.00 1.98 0.10 -1.79 118.68 120.85 2wdk s LEU 187 Ca -0.00 -1.55 0.05 0.00 -2.89 0.00 0.00 54.13 49.73 2wdk s LEU 187 Cb -0.01 -2.50 0.05 0.00 0.66 0.00 0.00 46.19 44.39 2wdk s LEU 187 CO -0.05 -1.38 0.39 0.00 -1.89 0.00 0.00 176.35 173.42 2wdk n ALA 188 N 8.08 0.66 -3.00 5.97 0.00 -1.06 -4.20 120.51 126.97 2wdk n ALA 188 Ca 0.26 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2wdk n ALA 188 Cb 0.50 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.39 2wdk n ALA 188 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdk n ASP 189 N -2.30 0.00 -0.16 0.00 5.75 -1.26 -0.81 116.55 117.77 2wdk n ASP 189 Ca 0.05 -0.03 -0.05 0.00 -0.01 0.00 0.00 54.79 54.75 2wdk n ASP 189 Cb 0.38 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 2wdk n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2wdk h THR 190 N 0.03 0.25 -0.96 2.12 1.35 -1.91 -0.80 112.91 112.99 2wdk h THR 190 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 66.15 2wdk h THR 190 Cb 0.00 0.25 -0.18 0.00 -1.73 0.00 0.00 68.15 66.49 2wdk h THR 190 CO 0.00 0.00 0.12 -0.67 -0.25 0.00 0.00 175.52 174.72 2wdk n ASP 191 N -5.42 -0.02 -1.99 5.36 4.64 -1.26 -3.36 116.55 114.49 2wdk n ASP 191 Ca 0.03 1.62 0.00 0.00 -1.38 0.00 0.00 54.79 55.06 2wdk n ASP 191 Cb 0.34 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 39.79 2wdk n ASP 191 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2wdk n SER 192 N -5.38 0.00 -3.87 1.67 7.64 -0.31 -4.72 113.62 108.66 2wdk n SER 192 Ca 0.25 -0.99 -0.26 0.00 1.01 0.00 0.00 58.87 58.88 2wdk n SER 192 Cb 0.84 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.86 2wdk n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2wdk s ASP 193 N -1.00 1.99 0.27 6.43 3.84 -1.26 -4.56 116.67 122.37 2wdk s ASP 193 Ca 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 52.55 52.29 2wdk s ASP 193 Cb 0.00 -0.72 0.58 0.00 -1.38 0.00 0.00 42.92 41.41 2wdk s ASP 193 CO 0.00 -0.14 1.64 1.55 -0.00 0.00 0.00 175.17 178.22 2wdk h PRO 194 N 8.20 0.15 0.00 2.11 0.13 -1.88 -3.35 132.00 137.36 2wdk h PRO 194 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2wdk h PRO 194 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2wdk h PRO 194 CO 0.36 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 177.98 2wdk n ASP 195 N -5.29 0.00 -1.42 1.44 9.92 -1.26 -0.25 116.55 119.68 2wdk n ASP 195 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2wdk n ASP 195 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 2wdk n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdk n LEU 196 N -0.12 4.49 -3.96 0.64 -0.00 -1.26 -4.76 117.00 112.03 2wdk n LEU 196 Ca 0.00 -2.05 -0.29 0.00 -0.00 0.00 0.00 56.01 53.67 2wdk n LEU 196 Cb 0.00 -0.92 -0.16 0.00 -0.00 0.00 0.00 43.42 42.34 2wdk n LEU 196 CO 0.00 0.83 -0.45 -0.69 -0.00 0.00 0.00 177.39 177.08 2wdk s VAL 197 N 0.13 1.35 0.06 1.47 1.01 0.65 -4.93 120.40 120.14 2wdk s VAL 197 Ca 0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2wdk s VAL 197 Cb 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 36.38 34.83 2wdk s VAL 197 CO 0.00 0.29 1.62 0.44 0.00 0.00 0.00 175.10 177.46 2wdk h ASP 198 N 8.08 -0.05 -3.33 3.32 3.45 -1.56 -3.40 116.42 122.93 2wdk h ASP 198 Ca -0.31 -0.10 -0.55 0.00 0.43 0.00 0.00 57.03 56.50 2wdk h ASP 198 Cb 1.12 0.01 -0.40 0.00 -0.56 0.00 0.00 39.33 39.51 2wdk h ASP 198 CO 0.46 0.07 -0.77 -0.31 -1.57 0.00 0.00 179.24 177.12 2wdk s TYR 199 N -5.75 1.51 -0.13 4.55 1.51 -0.55 -5.00 117.35 113.48 2wdk s TYR 199 Ca -0.14 -1.28 -0.07 0.00 -1.01 0.00 0.00 57.07 54.57 2wdk s TYR 199 Cb 0.05 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 2wdk s TYR 199 CO 0.66 -0.71 0.13 0.42 -1.11 0.00 0.00 175.55 174.93 2wdk s ILE 200 N 1.69 5.43 -0.75 2.71 1.01 -1.26 -1.96 121.20 128.07 2wdk s ILE 200 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2wdk s ILE 200 Cb -0.18 -3.38 0.19 0.00 0.01 0.00 0.00 42.46 39.10 2wdk s ILE 200 CO -0.12 0.59 0.58 -0.63 0.00 0.00 0.00 174.94 175.36 2wdk s ILE 201 N -0.78 3.68 -0.08 2.92 -1.09 -0.74 -4.49 121.20 120.62 2wdk s ILE 201 Ca 0.14 -3.73 -0.29 0.00 -2.23 0.00 0.00 60.65 54.53 2wdk s ILE 201 Cb -0.12 -3.35 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 2wdk s ILE 201 CO 0.03 -0.99 1.85 -2.16 -1.23 0.00 0.00 174.94 172.43 2wdk s PRO 202 N -1.00 3.92 0.00 2.79 0.04 -1.25 -2.55 135.00 136.95 2wdk s PRO 202 Ca 0.23 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2wdk s PRO 202 Cb -0.11 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2wdk s PRO 202 CO -0.10 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2wdk n GLY 203 N 4.65 1.49 3.50 0.56 0.00 0.01 -4.86 105.19 110.53 2wdk n GLY 203 Ca 0.20 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2wdk n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wdk n ASN 204 N 0.00 0.39 -1.95 1.61 5.15 -1.26 -4.55 115.26 114.67 2wdk n ASN 204 Ca 0.00 0.12 -0.15 0.00 -0.60 0.00 0.00 54.58 53.95 2wdk n ASN 204 Cb 0.00 -0.96 -0.01 0.00 -0.53 0.00 0.00 39.78 38.28 2wdk n ASN 204 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2wdk n ASP 205 N 10.78 6.14 0.00 1.20 5.75 -1.26 -4.47 116.55 134.69 2wdk n ASP 205 Ca 0.64 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 2wdk n ASP 205 Cb 0.07 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 2wdk n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2wdk n ASP 206 N 0.89 0.00 -4.64 -1.12 9.92 -1.26 -4.76 116.55 115.58 2wdk n ASP 206 Ca 0.29 0.00 -0.53 0.00 -0.53 0.00 0.00 54.79 54.02 2wdk n ASP 206 Cb 0.59 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.01 2wdk n ASP 206 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdk n ALA 207 N -1.63 -0.42 0.20 2.24 0.00 -1.26 -4.64 120.51 115.01 2wdk n ALA 207 Ca 0.00 0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.99 2wdk n ALA 207 Cb 0.00 -2.17 0.50 0.00 0.00 0.00 0.00 19.45 17.78 2wdk n ALA 207 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wdk h ILE 208 N 4.05 0.00 0.61 0.00 2.04 -1.96 -0.71 117.51 121.53 2wdk h ILE 208 Ca -0.47 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2wdk h ILE 208 Cb 1.32 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2wdk h ILE 208 CO 0.85 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 178.74 2wdk h ARG 209 N 0.00 -0.79 -1.00 2.37 2.47 -1.90 0.18 114.38 115.71 2wdk h ARG 209 Ca 0.00 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 58.92 2wdk h ARG 209 Cb 0.49 0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 28.89 2wdk h ARG 209 CO 0.00 -0.52 0.63 1.03 0.56 0.00 0.00 179.97 181.66 2wdk h SER 210 N -1.07 0.88 -0.06 7.04 0.87 -1.32 0.03 113.55 119.91 2wdk h SER 210 Ca -0.08 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2wdk h SER 210 Cb 0.63 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2wdk h SER 210 CO 0.14 0.42 0.01 0.40 -0.53 0.00 0.00 176.83 177.27 2wdk h ILE 211 N 0.91 1.19 0.17 2.23 2.04 -1.46 -2.84 117.51 119.76 2wdk h ILE 211 Ca 0.53 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2wdk h ILE 211 Cb 0.64 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2wdk h ILE 211 CO -0.30 0.16 -0.26 -0.61 0.00 0.00 0.00 178.15 177.14 2wdk h GLN 212 N -0.12 -0.48 -0.36 2.37 -0.00 0.74 0.41 115.11 117.67 2wdk h GLN 212 Ca 0.02 0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.78 2wdk h GLN 212 Cb 0.24 0.11 -0.08 0.00 0.00 0.00 0.00 27.48 27.76 2wdk h GLN 212 CO 0.00 -0.32 -0.16 1.25 0.00 0.00 0.00 178.83 179.60 2wdk h LEU 213 N -0.50 -0.55 -0.24 -2.39 6.46 -1.07 0.13 115.31 117.15 2wdk h LEU 213 Ca 0.02 0.13 -0.21 0.00 -0.12 0.00 0.00 57.88 57.70 2wdk h LEU 213 Cb 0.50 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2wdk h LEU 213 CO -0.12 -0.19 -0.89 0.40 -0.62 0.00 0.00 178.44 177.02 2wdk h ILE 214 N -0.10 1.43 -0.10 4.05 1.08 -1.35 -2.60 117.51 119.92 2wdk h ILE 214 Ca 0.18 -2.45 -0.15 0.00 -0.39 0.00 0.00 64.86 62.04 2wdk h ILE 214 Cb 0.37 2.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 2wdk h ILE 214 CO -0.42 0.73 -0.59 -0.07 -0.69 0.00 0.00 178.15 177.11 2wdk h LEU 215 N 0.20 0.36 0.21 1.44 -0.00 0.13 -2.94 115.31 114.71 2wdk h LEU 215 Ca -0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.61 2wdk h LEU 215 Cb 1.51 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.07 2wdk h LEU 215 CO 0.15 0.87 -0.10 -1.28 -0.00 0.00 0.00 178.44 178.07 2wdk h SER 216 N 0.24 -0.24 0.00 -0.43 0.87 -0.80 -2.81 113.55 110.38 2wdk h SER 216 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2wdk h SER 216 Cb 1.10 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2wdk h SER 216 CO 0.10 0.09 0.00 0.54 -0.53 0.00 0.00 176.83 177.03 2wdk n ARG 217 N -4.19 0.00 -0.12 2.24 5.12 -0.98 -1.75 116.66 116.97 2wdk n ARG 217 Ca -0.03 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.66 2wdk n ARG 217 Cb 0.11 -1.45 -0.08 0.00 -1.16 0.00 0.00 32.46 29.88 2wdk n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdk n ALA 218 N -0.89 1.05 0.21 7.54 0.00 -1.11 -4.06 120.51 123.25 2wdk n ALA 218 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 53.44 52.58 2wdk n ALA 218 Cb 0.00 0.06 0.48 0.00 0.00 0.00 0.00 19.45 19.99 2wdk n ALA 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdk n VAL 219 N -4.34 1.11 -0.01 0.00 0.31 -0.72 -2.57 118.33 112.12 2wdk n VAL 219 Ca -0.39 0.56 -0.07 0.00 -0.01 0.00 0.00 64.34 64.43 2wdk n VAL 219 Cb 0.74 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 2wdk n VAL 219 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wdk h ASP 220 N 0.00 -0.09 0.00 4.52 3.32 -1.68 -2.81 116.42 119.68 2wdk h ASP 220 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2wdk h ASP 220 Cb 0.10 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2wdk h ASP 220 CO 0.00 0.56 0.00 -0.11 -1.72 0.00 0.00 179.24 177.97 2wdk n LEU 221 N -4.80 0.00 -0.08 1.55 -0.00 -1.06 -0.09 117.00 112.52 2wdk n LEU 221 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.88 2wdk n LEU 221 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 2wdk n LEU 221 CO 0.17 0.00 -0.56 -0.38 -0.00 0.00 0.00 177.39 176.62 2wdk n ILE 222 N -0.91 1.37 0.24 1.96 5.41 -1.20 -4.10 119.36 122.14 2wdk n ILE 222 Ca 0.02 0.18 0.13 0.00 1.00 0.00 0.00 62.75 64.08 2wdk n ILE 222 Cb 0.01 -2.30 0.50 0.00 -0.71 0.00 0.00 39.64 37.14 2wdk n ILE 222 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 2wdk h ILE 223 N -0.93 0.30 0.00 1.39 3.07 -1.15 -1.88 117.51 118.31 2wdk h ILE 223 Ca 0.00 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.49 2wdk h ILE 223 Cb 0.83 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2wdk h ILE 223 CO 0.00 0.12 0.00 1.67 -1.05 0.00 0.00 178.15 178.89 2wdk n GLN 224 N -3.24 0.93 -0.02 0.16 7.27 0.88 -0.73 117.38 122.63 2wdk n GLN 224 Ca 0.01 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.09 2wdk n GLN 224 Cb 0.41 -1.24 0.02 0.00 2.41 0.00 0.00 30.24 31.84 2wdk n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdk n ALA 225 N -0.74 2.27 0.00 1.69 0.00 -0.71 -4.45 120.51 118.57 2wdk n ALA 225 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2wdk n ALA 225 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.43 2wdk n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdk n ARG 226 N -0.10 4.54 0.00 0.00 1.74 -0.61 -3.57 116.66 118.65 2wdk n ARG 226 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wdk n ARG 226 Cb 0.16 -0.47 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 2wdk n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdk n GLY 227 N 0.96 2.27 0.00 -0.13 0.00 0.09 -5.09 105.19 103.29 2wdk n GLY 227 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2wdk n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLY 228 N 2.12 0.76 3.26 -0.02 0.00 -1.26 -4.83 105.19 105.22 2wdk n GLY 228 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2wdk n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdk n VAL 229 N 0.00 0.94 -0.05 1.61 0.31 -1.26 -4.73 118.33 115.15 2wdk n VAL 229 Ca 0.00 -0.80 -0.03 0.00 -0.01 0.00 0.00 64.34 63.50 2wdk n VAL 229 Cb 0.00 -2.14 0.03 0.00 -0.91 0.00 0.00 33.84 30.83 2wdk n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wdk n VAL 230 N 6.35 0.00 -3.38 2.52 0.24 -1.26 -5.03 118.33 117.78 2wdk n VAL 230 Ca 0.46 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.55 2wdk n VAL 230 Cb 0.39 -0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.65 2wdk n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2wdk s GLU 231 N -2.57 3.19 0.48 7.34 -1.05 -1.26 -5.06 118.70 119.77 2wdk s GLU 231 Ca 0.07 -0.72 -0.21 0.00 -0.15 0.00 0.00 54.97 53.96 2wdk s GLU 231 Cb -0.01 -2.73 -0.10 0.00 -0.44 0.00 0.00 34.13 30.85 2wdk s GLU 231 CO 0.06 0.02 0.72 -2.30 0.95 0.00 0.00 175.26 174.72 2wdk n PRO 232 N -1.77 0.82 -3.01 -4.83 -0.02 -1.26 -4.97 135.00 119.96 2wdk n PRO 232 Ca -0.02 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 2wdk n PRO 232 Cb 0.58 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 2wdk n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wdk s SER 233 N -0.98 6.68 -0.70 2.55 0.15 -1.26 -4.94 113.70 115.20 2wdk s SER 233 Ca 0.66 1.24 -0.25 0.00 0.70 0.00 0.00 55.95 58.31 2wdk s SER 233 Cb -0.53 -2.36 -0.14 0.00 -1.71 0.00 0.00 66.02 61.28 2wdk s SER 233 CO 0.55 -0.29 2.42 -0.81 1.20 0.00 0.00 173.24 176.32 2wdk n PRO 234 N -0.74 0.66 0.00 5.44 -0.04 -1.26 -4.73 135.00 134.33 2wdk n PRO 234 Ca 0.03 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2wdk n PRO 234 Cb 0.53 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 2wdk n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wdk n SER 235 N 15.62 0.00 -3.62 3.54 3.41 -1.26 -4.84 113.62 126.47 2wdk n SER 235 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2wdk n SER 235 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2wdk n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wdk n TYR 236 N -1.46 0.00 0.00 7.33 4.02 -1.26 -4.74 117.16 121.05 2wdk n TYR 236 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wdk n TYR 236 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 2wdk n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdk n ALA 237 N 3.74 0.00 1.52 -0.72 0.00 -1.26 -4.62 120.51 119.17 2wdk n ALA 237 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2wdk n ALA 237 Cb 0.37 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.56 2wdk n ALA 237 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wdk n LEU 238 N 0.00 0.00 -1.69 0.00 -0.00 -1.26 -4.88 117.00 109.17 2wdk n LEU 238 Ca 0.00 0.09 -0.23 0.00 -0.00 0.00 0.00 56.01 55.87 2wdk n LEU 238 Cb 0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 43.42 43.29 2wdk n LEU 238 CO 0.00 -0.01 0.71 0.52 -0.00 0.00 0.00 177.39 178.61 2wdk n VAL 239 N -1.09 0.00 0.00 1.47 0.31 -1.26 -3.98 118.33 113.78 2wdk n VAL 239 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2wdk n VAL 239 Cb 0.12 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 2wdk n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdk n GLN 240 N 3.02 0.00 0.00 5.55 6.02 -1.26 -5.02 117.38 125.69 2wdk n GLN 240 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2wdk n GLN 240 Cb -0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.25 2wdk n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14