#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n LEU 3 N 0.00 1.49 0.00 2.45 7.94 -1.26 -4.69 117.00 122.93 2wdj n LEU 3 Ca 0.00 -0.75 0.00 0.00 -1.11 0.00 0.00 56.01 54.15 2wdj n LEU 3 Cb 0.00 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.61 2wdj n LEU 3 CO 0.00 0.27 0.00 -0.90 -1.11 0.00 0.00 177.39 175.65 2wdj n ASP 4 N 0.46 0.00 0.00 1.96 5.75 -1.26 -4.71 116.55 118.75 2wdj n ASP 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wdj n ASP 4 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2wdj n ASP 4 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2wdj n VAL 5 N 7.85 0.00 0.04 2.12 0.31 -1.26 -4.95 118.33 122.44 2wdj n VAL 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdj n VAL 5 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdj n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdj n ALA 6 N -3.00 2.56 0.01 3.52 0.00 -1.26 -3.76 120.51 118.58 2wdj n ALA 6 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2wdj n ALA 6 Cb 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 2wdj n ALA 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdj n LEU 7 N 1.34 0.97 0.00 0.00 0.00 -1.26 -3.95 117.00 114.11 2wdj n LEU 7 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 56.01 56.27 2wdj n LEU 7 Cb 0.27 -0.32 0.62 0.00 0.00 0.00 0.00 43.42 43.99 2wdj n LEU 7 CO 0.00 -0.46 0.93 1.17 0.00 0.00 0.00 177.39 179.04 2wdj n LYS 8 N -3.52 0.19 0.08 1.96 4.81 -1.25 0.11 118.16 120.54 2wdj n LYS 8 Ca -0.04 0.04 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2wdj n LYS 8 Cb 0.22 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.62 2wdj n LYS 8 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2wdj h ARG 9 N 0.00 0.40 -0.03 1.64 9.65 -1.82 -0.48 114.38 123.74 2wdj h ARG 9 Ca 0.00 -0.69 0.00 0.00 -1.10 0.00 0.00 59.98 58.19 2wdj h ARG 9 Cb 0.35 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2wdj h ARG 9 CO 0.00 1.33 0.00 1.63 2.80 0.00 0.00 179.97 185.73 2wdj n LYS 10 N -3.63 1.41 0.00 0.20 4.76 -0.63 -3.96 118.16 116.31 2wdj n LYS 10 Ca -0.24 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 2wdj n LYS 10 Cb 1.07 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 2wdj n LYS 10 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2wdj n TYR 11 N -0.25 0.00 -0.29 2.13 9.36 0.12 -3.92 117.16 124.31 2wdj n TYR 11 Ca 0.20 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.56 2wdj n TYR 11 Cb 0.25 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.24 2wdj n TYR 11 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2wdj n TYR 12 N -1.50 0.59 -4.03 2.98 0.53 -0.19 -0.00 117.16 115.54 2wdj n TYR 12 Ca 0.00 1.02 -0.33 0.00 -1.02 0.00 0.00 57.90 57.56 2wdj n TYR 12 Cb 0.00 -1.17 -0.15 0.00 -1.03 0.00 0.00 39.34 36.99 2wdj n TYR 12 CO 0.00 0.00 0.00 -1.83 -1.02 0.00 0.00 176.86 174.01 2wdj s GLU 13 N -5.74 2.73 0.00 -0.72 -1.05 -1.25 -4.38 118.70 108.28 2wdj s GLU 13 Ca -0.11 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.68 2wdj s GLU 13 Cb 0.25 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.10 2wdj s GLU 13 CO 0.66 -0.39 0.00 -1.91 0.95 0.00 0.00 175.26 174.57 2wdj n GLU 14 N 4.59 0.00 0.00 -4.83 2.13 -1.25 -4.54 120.64 116.74 2wdj n GLU 14 Ca -0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.52 2wdj n GLU 14 Cb 0.47 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.09 2wdj n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wdj h VAL 15 N 0.00 1.24 -0.15 6.31 2.07 -1.67 -3.08 116.25 120.97 2wdj h VAL 15 Ca 0.00 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2wdj h VAL 15 Cb 0.00 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2wdj h VAL 15 CO 0.00 0.19 -0.29 -0.09 0.02 0.00 0.00 177.57 177.40 2wdj h ARG 16 N -0.28 -0.34 -0.77 1.57 1.12 -0.64 -2.44 114.38 112.61 2wdj h ARG 16 Ca 0.00 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 58.93 2wdj h ARG 16 Cb 0.31 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.30 2wdj h ARG 16 CO 0.00 -0.23 0.49 -1.00 -3.11 0.00 0.00 179.97 176.13 2wdj h PRO 17 N -0.35 0.93 -0.39 0.20 0.13 -1.76 -3.16 132.00 127.59 2wdj h PRO 17 Ca 0.11 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.24 2wdj h PRO 17 Cb 0.51 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 31.37 2wdj h PRO 17 CO -0.35 0.61 -0.14 -1.91 -0.23 0.00 0.00 178.00 175.99 2wdj n GLU 18 N -4.61 -0.08 0.00 0.86 4.07 -0.92 -2.98 120.64 116.99 2wdj n GLU 18 Ca 0.09 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 2wdj n GLU 18 Cb 0.09 -0.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 2wdj n GLU 18 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2wdj n LEU 19 N -4.58 0.00 -0.24 4.31 4.77 -1.20 -2.14 117.00 117.92 2wdj n LEU 19 Ca 0.04 0.74 -0.05 0.00 -0.03 0.00 0.00 56.01 56.71 2wdj n LEU 19 Cb 0.16 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2wdj n LEU 19 CO -0.05 -0.24 0.30 -0.38 -1.33 0.00 0.00 177.39 175.69 2wdj n ILE 20 N -1.69 -0.37 0.16 -0.08 5.41 -1.16 0.23 119.36 121.86 2wdj n ILE 20 Ca 0.00 1.41 0.05 0.00 1.00 0.00 0.00 62.75 65.21 2wdj n ILE 20 Cb 0.00 -1.77 0.51 0.00 -0.71 0.00 0.00 39.64 37.68 2wdj n ILE 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2wdj h ARG 21 N 0.00 0.19 0.00 0.38 2.43 -1.71 -2.10 114.38 113.56 2wdj h ARG 21 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2wdj h ARG 21 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2wdj h ARG 21 CO -0.56 0.20 0.00 0.54 -1.51 0.00 0.00 179.97 178.64 2wdj n ARG 22 N -4.44 0.00 -0.36 0.20 5.12 0.64 -4.32 116.66 113.50 2wdj n ARG 22 Ca -0.01 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.95 2wdj n ARG 22 Cb 0.14 -0.42 0.18 0.00 -1.16 0.00 0.00 32.46 31.20 2wdj n ARG 22 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2wdj n PHE 23 N -0.05 0.85 -2.36 -1.55 3.01 -1.14 -4.98 117.46 111.25 2wdj n PHE 23 Ca 0.00 -0.31 -0.04 0.00 1.01 0.00 0.00 57.45 58.12 2wdj n PHE 23 Cb 0.00 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 2wdj n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wdj n GLY 24 N 0.43 -4.62 2.99 1.37 0.00 -0.83 -5.06 105.19 99.48 2wdj n GLY 24 Ca 0.12 1.12 -0.23 0.00 0.00 0.00 0.00 46.02 47.04 2wdj n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdj s TYR 25 N -0.66 1.20 -0.46 1.61 2.02 -0.98 -5.00 117.35 115.07 2wdj s TYR 25 Ca -0.18 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 2wdj s TYR 25 Cb 0.01 -0.90 0.25 0.00 -0.40 0.00 0.00 41.96 40.93 2wdj s TYR 25 CO 0.61 -0.21 2.16 1.04 -1.57 0.00 0.00 175.55 177.58 2wdj n GLN 26 N 3.73 2.19 0.00 -0.62 6.02 -1.26 -4.75 117.38 122.69 2wdj n GLN 26 Ca -0.22 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 2wdj n GLN 26 Cb 0.52 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2wdj n GLN 26 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2wdj n ASN 27 N 0.08 0.00 -0.00 1.08 5.15 -1.26 -5.01 115.26 115.30 2wdj n ASN 27 Ca 0.43 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.55 2wdj n ASN 27 Cb 0.57 0.00 0.63 0.00 -0.53 0.00 0.00 39.78 40.46 2wdj n ASN 27 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2wdj n VAL 28 N -0.99 0.00 1.69 3.44 0.24 -1.26 -2.87 118.33 118.57 2wdj n VAL 28 Ca 0.00 -0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 2wdj n VAL 28 Cb 0.00 -0.46 0.67 0.00 -1.47 0.00 0.00 33.84 32.58 2wdj n VAL 28 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2wdj n TRP 29 N -1.45 0.02 -1.01 6.34 7.02 -1.26 -1.91 117.44 125.19 2wdj n TRP 29 Ca 0.09 -0.01 0.06 0.00 -1.02 0.00 0.00 57.50 56.62 2wdj n TRP 29 Cb 0.32 0.00 0.29 0.00 -2.42 0.00 0.00 31.31 29.50 2wdj n TRP 29 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2wdj n GLU 30 N -0.29 3.32 -4.19 -0.99 2.13 -1.14 -4.94 120.64 114.53 2wdj n GLU 30 Ca 0.20 -2.96 -0.32 0.00 0.66 0.00 0.00 57.16 54.75 2wdj n GLU 30 Cb 0.25 -1.96 -0.08 0.00 0.27 0.00 0.00 31.44 29.92 2wdj n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wdj s VAL 31 N -2.86 4.31 -0.01 6.31 1.01 -0.80 -5.01 120.40 123.34 2wdj s VAL 31 Ca 0.46 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2wdj s VAL 31 Cb 0.37 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 2wdj s VAL 31 CO 0.10 0.31 1.82 -2.84 0.00 0.00 0.00 175.10 174.49 2wdj s PRO 32 N -1.79 4.15 0.00 2.72 0.02 -1.26 -4.80 135.00 134.04 2wdj s PRO 32 Ca 0.22 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.65 2wdj s PRO 32 Cb -0.12 -4.08 0.00 0.00 0.02 0.00 0.00 34.50 30.32 2wdj s PRO 32 CO 0.13 -0.92 0.00 0.54 -0.33 0.00 0.00 177.00 176.43 2wdj n ARG 33 N 7.37 1.63 -3.34 5.54 3.00 -1.26 -4.94 116.66 124.65 2wdj n ARG 33 Ca 0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.88 2wdj n ARG 33 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.81 2wdj n ARG 33 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2wdj s LEU 34 N 0.00 -0.21 -0.41 0.55 1.98 -1.26 -4.50 118.68 114.83 2wdj s LEU 34 Ca 0.00 -1.53 0.10 0.00 -2.89 0.00 0.00 54.13 49.82 2wdj s LEU 34 Cb 0.00 0.71 0.42 0.00 0.66 0.00 0.00 46.19 47.98 2wdj s LEU 34 CO 0.00 -0.24 0.99 -1.84 -1.89 0.00 0.00 176.35 173.36 2wdj n GLU 35 N 4.22 2.31 0.00 1.98 0.00 -1.19 -4.78 120.64 123.18 2wdj n GLU 35 Ca 0.12 -3.98 0.00 0.00 0.00 0.00 0.00 57.16 53.29 2wdj n GLU 35 Cb 0.46 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 30.07 2wdj n GLU 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2wdj n LYS 36 N -0.21 0.00 -2.68 3.44 4.81 -1.23 -4.84 118.16 117.45 2wdj n LYS 36 Ca 0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.61 2wdj n LYS 36 Cb 0.68 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.76 2wdj n LYS 36 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wdj n VAL 37 N 0.00 0.90 -1.78 3.15 0.31 -0.61 -3.48 118.33 116.81 2wdj n VAL 37 Ca 0.00 -3.02 -0.38 0.00 -0.01 0.00 0.00 64.34 60.94 2wdj n VAL 37 Cb 0.00 0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 2wdj n VAL 37 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wdj s VAL 38 N -2.92 3.17 0.77 2.52 1.01 -1.25 -4.02 120.40 119.68 2wdj s VAL 38 Ca 0.27 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2wdj s VAL 38 Cb 0.45 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2wdj s VAL 38 CO 0.03 -0.41 1.08 -0.51 0.00 0.00 0.00 175.10 175.29 2wdj s ILE 39 N 10.57 3.42 -0.33 2.22 1.10 -1.07 -3.54 121.20 133.57 2wdj s ILE 39 Ca 0.84 0.46 0.06 0.00 -0.51 0.00 0.00 60.65 61.50 2wdj s ILE 39 Cb -0.16 -3.05 0.19 0.00 0.15 0.00 0.00 42.46 39.59 2wdj s ILE 39 CO 0.24 -0.60 0.58 0.21 -2.11 0.00 0.00 174.94 173.26 2wdj s ASN 40 N -3.57 -1.35 0.05 4.50 3.84 -1.20 -3.22 114.94 113.99 2wdj s ASN 40 Ca 0.60 -0.20 -0.36 0.00 0.21 0.00 0.00 52.86 53.12 2wdj s ASN 40 Cb -0.16 1.89 -0.15 0.00 -0.55 0.00 0.00 41.25 42.28 2wdj s ASN 40 CO 0.56 -0.27 1.57 0.00 -2.79 0.00 0.00 177.10 176.17 2wdj n GLN 41 N 5.09 1.72 -2.77 0.43 1.13 -0.38 -2.85 117.38 119.75 2wdj n GLN 41 Ca 0.07 0.62 -0.18 0.00 -1.94 0.00 0.00 57.00 55.57 2wdj n GLN 41 Cb 0.54 -2.35 -0.00 0.00 0.11 0.00 0.00 30.24 28.54 2wdj n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdj n GLY 42 N 3.38 3.73 1.63 1.08 0.00 -1.26 -2.27 105.19 111.48 2wdj n GLY 42 Ca 0.19 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 2wdj n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdj n LEU 43 N -0.12 0.00 -0.53 0.99 7.99 -1.26 -4.97 117.00 119.10 2wdj n LEU 43 Ca 0.23 -0.49 0.05 0.00 -0.01 0.00 0.00 56.01 55.79 2wdj n LEU 43 Cb 0.68 -0.49 0.08 0.00 -0.11 0.00 0.00 43.42 43.57 2wdj n LEU 43 CO 0.28 -1.92 0.34 0.61 -1.51 0.00 0.00 177.39 175.19 2wdj n GLY 44 N -2.13 2.63 3.85 -0.72 0.00 -1.26 -5.01 105.19 102.56 2wdj n GLY 44 Ca 0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2wdj n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdj s GLU 45 N -1.37 2.23 0.00 1.61 2.56 -1.26 -4.90 118.70 117.57 2wdj s GLU 45 Ca 0.21 -2.25 0.00 0.00 0.00 0.00 0.00 54.97 52.93 2wdj s GLU 45 Cb 0.20 -1.81 0.00 0.00 2.00 0.00 0.00 34.13 34.52 2wdj s GLU 45 CO -0.03 -0.55 0.00 0.00 -0.56 0.00 0.00 175.26 174.12 2wdj n ALA 46 N -1.58 0.00 -1.49 6.30 0.00 -1.26 -3.77 120.51 118.72 2wdj n ALA 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2wdj n ALA 46 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2wdj n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdj n LYS 47 N 0.00 0.00 -4.24 0.00 4.76 -1.26 -4.33 118.16 113.08 2wdj n LYS 47 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 2wdj n LYS 47 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2wdj n LYS 47 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2wdj s GLU 48 N 0.00 1.44 0.00 1.97 2.12 -1.26 -4.87 118.70 118.10 2wdj s GLU 48 Ca 0.00 -1.80 0.00 0.00 0.36 0.00 0.00 54.97 53.53 2wdj s GLU 48 Cb 0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2wdj s GLU 48 CO 0.00 -0.49 0.00 -0.25 -0.54 0.00 0.00 175.26 173.98 2wdj n ASP 49 N -0.80 -1.68 -3.73 -1.70 10.43 -1.26 -4.47 116.55 113.34 2wdj n ASP 49 Ca 0.04 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.16 2wdj n ASP 49 Cb 0.65 -0.84 0.04 0.00 1.84 0.00 0.00 41.12 42.80 2wdj n ASP 49 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wdj n ALA 50 N -0.77 -1.74 -0.39 2.24 0.00 -1.26 -4.77 120.51 113.82 2wdj n ALA 50 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2wdj n ALA 50 Cb 0.35 -3.05 -0.04 0.00 0.00 0.00 0.00 19.45 16.71 2wdj n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj n ARG 51 N -4.45 0.91 0.10 0.00 5.12 -1.26 -3.77 116.66 113.31 2wdj n ARG 51 Ca -0.17 -0.60 -0.04 0.00 -1.93 0.00 0.00 57.85 55.11 2wdj n ARG 51 Cb 0.62 -1.88 0.02 0.00 -1.16 0.00 0.00 32.46 30.07 2wdj n ARG 51 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2wdj h ILE 52 N 2.98 1.52 0.00 0.55 1.08 -1.97 -3.45 117.51 118.22 2wdj h ILE 52 Ca 0.15 -2.75 0.00 0.00 -0.39 0.00 0.00 64.86 61.86 2wdj h ILE 52 Cb 0.39 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 2wdj h ILE 52 CO 0.70 0.77 0.00 0.18 -0.69 0.00 0.00 178.15 179.11 2wdj n LEU 53 N -3.53 0.00 0.00 1.44 7.99 -1.25 -2.72 117.00 118.94 2wdj n LEU 53 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2wdj n LEU 53 Cb 0.78 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.09 2wdj n LEU 53 CO 0.44 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.53 2wdj n GLU 54 N 0.00 0.00 -0.05 3.23 2.13 -1.26 -4.75 120.64 119.94 2wdj n GLU 54 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2wdj n GLU 54 Cb 0.00 -0.02 -0.14 0.00 0.27 0.00 0.00 31.44 31.54 2wdj n GLU 54 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2wdj n LYS 55 N 0.00 0.67 -0.30 5.31 0.00 -1.10 -3.55 118.16 119.19 2wdj n LYS 55 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 58.31 58.56 2wdj n LYS 55 Cb 0.10 -1.69 0.20 0.00 0.00 0.00 0.00 35.03 33.64 2wdj n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdj n ALA 56 N -2.72 2.68 1.01 3.14 0.00 -1.26 -3.24 120.51 120.12 2wdj n ALA 56 Ca -0.25 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.46 2wdj n ALA 56 Cb 1.08 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 2wdj n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n ALA 57 N 0.61 4.36 0.17 0.00 0.00 -1.23 -3.92 120.51 120.50 2wdj n ALA 57 Ca 0.14 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.15 2wdj n ALA 57 Cb 0.48 -0.86 0.10 0.00 0.00 0.00 0.00 19.45 19.17 2wdj n ALA 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2wdj h GLN 58 N 0.26 0.00 0.00 0.00 -0.00 -1.71 -2.86 115.11 110.80 2wdj h GLN 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2wdj h GLN 58 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 2wdj h GLN 58 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.22 2wdj n GLU 59 N -2.93 0.68 -0.09 0.06 1.02 -1.25 0.20 120.64 118.33 2wdj n GLU 59 Ca 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 2wdj n GLU 59 Cb 0.54 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 2wdj n GLU 59 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wdj n LEU 60 N -0.77 1.91 0.04 -4.62 0.00 -1.08 -3.51 117.00 108.97 2wdj n LEU 60 Ca 0.09 0.40 0.05 0.00 0.00 0.00 0.00 56.01 56.55 2wdj n LEU 60 Cb 0.04 -0.77 0.24 0.00 0.00 0.00 0.00 43.42 42.93 2wdj n LEU 60 CO 0.07 -0.32 0.66 0.00 0.00 0.00 0.00 177.39 177.80 2wdj n ALA 61 N -4.26 1.26 -0.95 1.96 0.00 -0.70 -0.57 120.51 117.25 2wdj n ALA 61 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wdj n ALA 61 Cb 0.46 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2wdj n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdj n LEU 62 N -1.72 1.79 0.14 0.00 -0.00 0.53 0.84 117.00 118.59 2wdj n LEU 62 Ca 0.01 0.21 0.09 0.00 -0.00 0.00 0.00 56.01 56.32 2wdj n LEU 62 Cb 0.08 -0.02 0.50 0.00 -0.00 0.00 0.00 43.42 43.97 2wdj n LEU 62 CO 0.08 -0.02 0.79 2.30 -0.00 0.00 0.00 177.39 180.53 2wdj n ILE 63 N -0.57 1.14 -0.13 1.96 -6.64 -1.12 -2.06 119.36 111.94 2wdj n ILE 63 Ca 0.00 0.71 0.00 0.00 -1.77 0.00 0.00 62.75 61.69 2wdj n ILE 63 Cb 0.00 -1.71 0.00 0.00 -1.44 0.00 0.00 39.64 36.49 2wdj n ILE 63 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 2wdj n THR 64 N -2.14 0.00 0.00 7.28 5.66 0.27 -4.98 114.28 120.37 2wdj n THR 64 Ca -0.01 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2wdj n THR 64 Cb 0.05 1.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.95 2wdj n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdj n GLY 65 N 0.22 0.47 3.66 1.09 0.00 0.25 -4.84 105.19 106.03 2wdj n GLY 65 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2wdj n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdj n GLN 66 N 0.00 1.30 -1.78 1.61 1.13 -1.26 -4.72 117.38 113.68 2wdj n GLN 66 Ca 0.00 0.47 -0.41 0.00 -1.94 0.00 0.00 57.00 55.12 2wdj n GLN 66 Cb 0.00 -2.16 -0.01 0.00 0.11 0.00 0.00 30.24 28.18 2wdj n GLN 66 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2wdj s LYS 67 N 2.29 4.11 0.45 -1.09 3.01 -1.26 -3.25 119.74 123.99 2wdj s LYS 67 Ca 0.91 2.59 -0.22 0.00 -1.01 0.00 0.00 55.97 58.24 2wdj s LYS 67 Cb -0.97 -2.99 -0.08 0.00 -1.01 0.00 0.00 37.83 32.77 2wdj s LYS 67 CO 0.56 -0.60 1.08 -1.25 0.51 0.00 0.00 175.35 175.64 2wdj s PRO 68 N -1.21 3.92 -0.08 -1.68 0.04 -1.26 -4.81 135.00 129.92 2wdj s PRO 68 Ca 0.59 1.53 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2wdj s PRO 68 Cb -0.48 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 2wdj s PRO 68 CO 0.55 -0.36 -0.21 0.00 0.04 0.00 0.00 177.00 177.02 2wdj s ALA 69 N -1.73 2.32 -0.41 8.56 0.00 -1.07 -4.95 121.76 124.47 2wdj s ALA 69 Ca 0.63 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 2wdj s ALA 69 Cb -0.22 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.10 2wdj s ALA 69 CO 0.27 0.38 0.27 0.14 0.00 0.00 0.00 175.76 176.82 2wdj s VAL 70 N -0.04 4.83 0.05 0.00 -7.23 -1.26 -0.40 120.40 116.36 2wdj s VAL 70 Ca -0.06 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 2wdj s VAL 70 Cb -0.15 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 2wdj s VAL 70 CO 0.05 -0.35 -0.23 0.28 -0.31 0.00 0.00 175.10 174.54 2wdj s THR 71 N 1.59 1.85 0.34 5.32 -1.32 0.30 -4.92 115.64 118.80 2wdj s THR 71 Ca 0.03 -1.29 0.01 0.00 -1.21 0.00 0.00 61.69 59.22 2wdj s THR 71 Cb -0.20 -1.60 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 2wdj s THR 71 CO 0.07 0.25 0.42 0.00 -2.21 0.00 0.00 174.62 173.15 2wdj s ARG 72 N -1.25 1.88 0.00 7.08 1.70 -1.26 -0.35 118.95 126.74 2wdj s ARG 72 Ca 0.09 -1.85 -0.01 0.00 -0.47 0.00 0.00 55.73 53.49 2wdj s ARG 72 Cb -0.09 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 2wdj s ARG 72 CO 0.02 -0.76 0.03 0.00 -1.08 0.00 0.00 175.30 173.52 2wdj n ALA 73 N -0.59 -0.71 0.70 7.88 0.00 -1.26 -4.72 120.51 121.82 2wdj n ALA 73 Ca 0.03 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.59 2wdj n ALA 73 Cb 0.62 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 2wdj n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdj n LYS 74 N 0.05 0.45 0.00 0.00 5.02 -1.26 -2.74 118.16 119.68 2wdj n LYS 74 Ca 0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2wdj n LYS 74 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2wdj n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdj n LYS 75 N -1.66 0.16 -3.48 1.97 5.02 -1.26 -4.94 118.16 113.97 2wdj n LYS 75 Ca 0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.17 2wdj n LYS 75 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.34 2wdj n LYS 75 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wdj s SER 76 N 1.00 -0.56 -0.05 4.39 0.01 -1.26 -1.53 113.70 115.70 2wdj s SER 76 Ca 0.00 0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 2wdj s SER 76 Cb 0.00 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.81 2wdj s SER 76 CO 0.00 -0.83 0.13 -0.63 0.41 0.00 0.00 173.24 172.32 2wdj s ILE 77 N -2.89 -0.01 -0.24 1.44 -1.09 0.10 -4.94 121.20 113.56 2wdj s ILE 77 Ca -0.03 0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.27 2wdj s ILE 77 Cb -0.01 -0.20 -0.11 0.00 -1.58 0.00 0.00 42.46 40.57 2wdj s ILE 77 CO -0.05 0.01 -0.29 -0.24 -1.23 0.00 0.00 174.94 173.14 2wdj n SER 78 N 3.24 1.94 -0.06 3.58 2.88 -1.26 -3.25 113.62 120.69 2wdj n SER 78 Ca -0.15 0.36 0.03 0.00 -1.33 0.00 0.00 58.87 57.78 2wdj n SER 78 Cb 0.58 -0.82 0.06 0.00 -0.75 0.00 0.00 64.21 63.28 2wdj n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wdj n ASN 79 N -4.33 -0.01 -3.03 -3.46 4.13 -1.26 -1.16 115.26 106.14 2wdj n ASN 79 Ca -0.41 0.32 -0.16 0.00 1.68 0.00 0.00 54.58 56.00 2wdj n ASN 79 Cb 0.76 -0.12 -0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2wdj n ASN 79 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2wdj n PHE 80 N -3.91 -1.15 -0.92 3.10 -0.00 -1.26 -5.13 117.46 108.18 2wdj n PHE 80 Ca 0.05 -3.08 0.12 0.00 -0.00 0.00 0.00 57.45 54.54 2wdj n PHE 80 Cb 0.16 0.34 -0.03 0.00 -0.00 0.00 0.00 39.48 39.94 2wdj n PHE 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2wdj n LYS 81 N 0.81 -1.89 -0.07 -4.13 4.76 -0.31 -5.06 118.16 112.28 2wdj n LYS 81 Ca 0.17 1.28 0.00 0.00 -2.87 0.00 0.00 58.31 56.90 2wdj n LYS 81 Cb 0.63 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 2wdj n LYS 81 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2wdj n LEU 82 N -3.19 -0.46 -3.64 -0.35 7.94 -1.20 -4.19 117.00 111.91 2wdj n LEU 82 Ca -0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2wdj n LEU 82 Cb 0.42 -0.05 -0.07 0.00 0.53 0.00 0.00 43.42 44.26 2wdj n LEU 82 CO 0.01 0.00 0.74 0.00 -1.11 0.00 0.00 177.39 177.03 2wdj s ARG 83 N -3.71 0.47 -0.23 1.96 1.70 -1.26 0.02 118.95 117.90 2wdj s ARG 83 Ca 0.00 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 2wdj s ARG 83 Cb 0.00 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2wdj s ARG 83 CO 0.00 -0.06 0.00 1.63 -1.08 0.00 0.00 175.30 175.79 2wdj n LYS 84 N 2.43 -1.90 -2.21 3.89 4.76 -0.58 -3.53 118.16 121.02 2wdj n LYS 84 Ca -0.13 0.43 -0.01 0.00 -2.87 0.00 0.00 58.31 55.73 2wdj n LYS 84 Cb 0.56 -4.41 0.00 0.00 -1.84 0.00 0.00 35.03 29.34 2wdj n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdj n GLY 85 N 0.57 -2.95 0.34 0.72 0.00 -1.11 -4.86 105.19 97.90 2wdj n GLY 85 Ca -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 2wdj n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdj n MET 86 N 0.18 0.02 0.00 1.61 2.81 -1.23 -4.68 117.12 115.83 2wdj n MET 86 Ca 0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2wdj n MET 86 Cb 0.07 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 2wdj n MET 86 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2wdj n PRO 87 N -2.70 0.00 -3.94 0.03 -0.02 -1.26 -5.01 135.00 122.11 2wdj n PRO 87 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2wdj n PRO 87 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.01 2wdj n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2wdj s ILE 88 N 0.00 0.00 0.00 4.25 2.07 -1.25 -4.87 121.20 121.40 2wdj s ILE 88 Ca 0.00 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2wdj s ILE 88 Cb 0.00 -2.92 0.00 0.00 0.13 0.00 0.00 42.46 39.67 2wdj s ILE 88 CO 0.00 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2wdj n GLY 89 N -0.81 2.16 3.70 1.50 0.00 0.52 -4.69 105.19 107.58 2wdj n GLY 89 Ca 0.01 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2wdj n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdj s LEU 90 N 0.00 3.58 -0.03 0.99 2.01 -0.96 0.11 118.68 124.37 2wdj s LEU 90 Ca 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 54.13 54.14 2wdj s LEU 90 Cb 0.00 -2.07 0.03 0.00 0.01 0.00 0.00 46.19 44.16 2wdj s LEU 90 CO 0.00 0.27 0.06 -0.60 1.01 0.00 0.00 176.35 177.09 2wdj s ARG 91 N -1.64 -0.02 -0.19 1.70 3.52 0.46 -1.24 118.95 121.53 2wdj s ARG 91 Ca 0.21 0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 56.03 2wdj s ARG 91 Cb -0.12 -0.29 0.07 0.00 -1.56 0.00 0.00 34.95 33.05 2wdj s ARG 91 CO 0.11 -0.21 0.12 0.14 -0.81 0.00 0.00 175.30 174.66 2wdj s VAL 92 N 1.37 -0.14 -0.43 7.11 -7.23 -1.20 -2.59 120.40 117.30 2wdj s VAL 92 Ca -0.06 -0.24 -0.25 0.00 -1.81 0.00 0.00 61.98 59.62 2wdj s VAL 92 Cb -0.13 -0.65 0.02 0.00 0.56 0.00 0.00 36.38 36.18 2wdj s VAL 92 CO -0.04 -0.33 0.92 -0.89 -0.31 0.00 0.00 175.10 174.45 2wdj s THR 93 N 2.17 4.52 -0.22 5.32 2.01 -1.26 -2.61 115.64 125.57 2wdj s THR 93 Ca 0.04 0.87 -0.19 0.00 0.31 0.00 0.00 61.69 62.71 2wdj s THR 93 Cb -0.16 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 2wdj s THR 93 CO -0.14 -0.73 0.57 -0.76 -0.69 0.00 0.00 174.62 172.87 2wdj s LEU 94 N 3.64 4.11 0.11 4.42 1.43 -1.26 -4.91 118.68 126.23 2wdj s LEU 94 Ca 0.37 0.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 2wdj s LEU 94 Cb -0.11 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2wdj s LEU 94 CO 0.24 -0.26 -0.12 -0.13 0.23 0.00 0.00 176.35 176.32 2wdj s ARG 95 N 1.98 0.93 2.73 1.70 0.52 -1.26 -1.57 118.95 123.98 2wdj s ARG 95 Ca 0.25 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2wdj s ARG 95 Cb -0.16 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.63 2wdj s ARG 95 CO 0.09 0.11 0.00 0.54 0.02 0.00 0.00 175.30 176.07 2wdj n ARG 96 N 0.47 0.00 -0.30 3.54 5.12 -1.26 -2.73 116.66 121.51 2wdj n ARG 96 Ca -0.15 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.83 2wdj n ARG 96 Cb 0.58 0.00 0.17 0.00 -1.16 0.00 0.00 32.46 32.04 2wdj n ARG 96 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2wdj h ASP 97 N 5.24 -0.57 -0.13 0.55 3.32 -1.98 0.39 116.42 123.22 2wdj h ASP 97 Ca 0.00 0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.33 2wdj h ASP 97 Cb 0.00 0.46 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2wdj h ASP 97 CO 0.00 -0.26 0.20 0.03 -1.72 0.00 0.00 179.24 177.49 2wdj h ARG 98 N 0.04 0.00 0.00 3.56 2.47 -1.91 -2.65 114.38 115.89 2wdj h ARG 98 Ca 0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 2wdj h ARG 98 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2wdj h ARG 98 CO -0.82 0.00 -0.14 1.98 0.56 0.00 0.00 179.97 181.55 2wdj h MET 99 N 0.00 0.00 -0.34 0.04 1.85 -0.16 -3.39 114.93 112.93 2wdj h MET 99 Ca 0.06 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.18 2wdj h MET 99 Cb 0.46 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.45 2wdj h MET 99 CO -0.00 0.00 -0.20 0.91 -0.40 0.00 0.00 176.91 177.22 2wdj n TRP 100 N -3.54 -0.15 -0.11 1.39 7.02 -0.98 -1.86 117.44 119.21 2wdj n TRP 100 Ca -0.02 0.42 -0.03 0.00 -1.02 0.00 0.00 57.50 56.85 2wdj n TRP 100 Cb 0.07 -0.49 -0.03 0.00 -2.42 0.00 0.00 31.31 28.45 2wdj n TRP 100 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2wdj n ILE 101 N -3.73 -0.18 0.00 -0.99 -6.64 -1.01 -3.83 119.36 102.98 2wdj n ILE 101 Ca 0.01 0.68 0.00 0.00 -1.77 0.00 0.00 62.75 61.67 2wdj n ILE 101 Cb 0.09 -0.84 0.00 0.00 -1.44 0.00 0.00 39.64 37.45 2wdj n ILE 101 CO 0.00 0.00 0.00 0.33 -1.77 0.00 0.00 176.55 175.11 2wdj n PHE 102 N -4.25 0.00 0.00 4.28 -0.00 -0.78 -3.70 117.46 113.02 2wdj n PHE 102 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2wdj n PHE 102 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.55 2wdj n PHE 102 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2wdj n LEU 103 N 0.00 0.00 -0.09 -2.13 -0.00 -1.25 0.16 117.00 113.69 2wdj n LEU 103 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2wdj n LEU 103 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2wdj n LEU 103 CO 0.00 0.00 0.73 -0.08 -0.00 0.00 0.00 177.39 178.04 2wdj h GLU 104 N 0.00 0.51 -0.07 1.47 4.81 -1.73 -0.17 114.58 119.40 2wdj h GLU 104 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2wdj h GLU 104 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2wdj h GLU 104 CO 0.00 0.70 0.00 0.36 -0.73 0.00 0.00 179.01 179.34 2wdj n LYS 105 N -4.55 0.23 0.04 1.92 2.85 0.43 -1.96 118.16 117.11 2wdj n LYS 105 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2wdj n LYS 105 Cb 0.28 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 2wdj n LYS 105 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2wdj n LEU 106 N -0.23 0.56 -0.10 -5.58 7.94 -0.92 -4.39 117.00 114.28 2wdj n LEU 106 Ca 0.00 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2wdj n LEU 106 Cb 0.02 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.84 2wdj n LEU 106 CO 0.00 -0.52 0.16 0.18 -1.11 0.00 0.00 177.39 176.10 2wdj n LEU 107 N -3.28 0.07 0.00 -1.96 4.77 -0.12 -2.62 117.00 113.85 2wdj n LEU 107 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2wdj n LEU 107 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2wdj n LEU 107 CO 0.00 0.02 -0.03 0.59 -1.33 0.00 0.00 177.39 176.64 2wdj n ASN 108 N -0.33 0.32 0.00 -1.43 5.03 -0.94 -4.64 115.26 113.27 2wdj n ASN 108 Ca 0.00 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2wdj n ASN 108 Cb 0.02 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 2wdj n ASN 108 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wdj n VAL 109 N -0.11 0.00 -0.03 2.41 0.31 -1.08 -4.89 118.33 114.93 2wdj n VAL 109 Ca 0.00 0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.47 2wdj n VAL 109 Cb 0.00 -1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 31.78 2wdj n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdj n ALA 110 N -1.73 1.91 0.06 3.52 0.00 -1.26 -4.62 120.51 118.40 2wdj n ALA 110 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 2wdj n ALA 110 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 2wdj n ALA 110 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdj h LEU 111 N 0.00 -0.46 0.00 0.00 6.46 -1.89 -0.70 115.31 118.73 2wdj h LEU 111 Ca -0.17 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2wdj h LEU 111 Cb 1.27 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 2wdj h LEU 111 CO 0.01 -0.19 0.00 -2.65 -0.62 0.00 0.00 178.44 174.99 2wdj n PRO 112 N -3.31 0.38 -4.10 5.25 -0.02 -1.26 -4.10 135.00 127.84 2wdj n PRO 112 Ca -0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.25 2wdj n PRO 112 Cb 0.13 -1.23 -0.16 0.00 -0.02 0.00 0.00 33.50 32.22 2wdj n PRO 112 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wdj s ARG 113 N -2.00 0.71 0.64 -0.52 3.00 -1.21 -4.89 118.95 114.68 2wdj s ARG 113 Ca 0.08 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.73 54.58 2wdj s ARG 113 Cb 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 34.95 34.19 2wdj s ARG 113 CO 0.07 -0.10 0.90 -0.89 0.00 0.00 0.00 175.30 175.28 2wdj n ILE 114 N 4.09 3.34 -0.53 4.11 5.41 -0.27 -4.81 119.36 130.71 2wdj n ILE 114 Ca -0.25 -0.46 0.43 0.00 1.00 0.00 0.00 62.75 63.47 2wdj n ILE 114 Cb 0.51 -1.07 0.72 0.00 -0.71 0.00 0.00 39.64 39.08 2wdj n ILE 114 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2wdj h ARG 115 N 0.19 0.04 0.00 0.38 -0.00 -1.95 -3.38 114.38 109.65 2wdj h ARG 115 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 2wdj h ARG 115 Cb 1.36 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 2wdj h ARG 115 CO 0.49 0.03 0.00 -0.25 -0.00 0.00 0.00 179.97 180.23 2wdj n ASP 116 N -4.42 -0.93 -1.42 0.08 8.00 -1.26 -5.18 116.55 111.43 2wdj n ASP 116 Ca 0.39 0.21 0.06 0.00 0.71 0.00 0.00 54.79 56.16 2wdj n ASP 116 Cb 1.63 1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 43.92 2wdj n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2wdj n PHE 117 N -2.68 -3.45 -1.68 1.24 7.35 -1.26 -5.02 117.46 111.96 2wdj n PHE 117 Ca 0.00 1.88 -0.01 0.00 -0.76 0.00 0.00 57.45 58.56 2wdj n PHE 117 Cb 0.00 -2.98 -0.01 0.00 0.35 0.00 0.00 39.48 36.84 2wdj n PHE 117 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2wdj n ARG 118 N -3.20 0.02 0.00 -4.13 0.00 -1.26 -5.10 116.66 102.99 2wdj n ARG 118 Ca -0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.62 2wdj n ARG 118 Cb 0.48 0.46 0.00 0.00 0.00 0.00 0.00 32.46 33.40 2wdj n ARG 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdj n GLY 119 N -0.03 0.29 0.00 5.14 0.00 -1.26 -3.91 105.19 105.43 2wdj n GLY 119 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2wdj n GLY 119 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wdj n LEU 120 N 0.00 0.00 -3.63 0.99 -0.00 -1.26 -4.75 117.00 108.35 2wdj n LEU 120 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 2wdj n LEU 120 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2wdj n LEU 120 CO 0.00 0.00 0.34 0.21 -0.00 0.00 0.00 177.39 177.94 2wdj s ASN 121 N -4.00 -1.00 -0.39 1.45 3.84 -1.26 -4.28 114.94 109.30 2wdj s ASN 121 Ca 0.00 1.47 -0.06 0.00 0.21 0.00 0.00 52.86 54.47 2wdj s ASN 121 Cb 0.00 1.83 -0.17 0.00 -0.55 0.00 0.00 41.25 42.36 2wdj s ASN 121 CO 0.00 -0.22 3.32 -0.81 -2.79 0.00 0.00 177.10 176.61 2wdj n PRO 122 N 4.86 2.46 -0.48 0.43 -0.04 -1.26 -4.41 135.00 136.55 2wdj n PRO 122 Ca -0.16 -1.53 0.06 0.00 -0.04 0.00 0.00 63.50 61.84 2wdj n PRO 122 Cb 0.54 -2.18 0.24 0.00 -0.04 0.00 0.00 33.50 32.06 2wdj n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wdj n ASN 123 N 2.36 3.46 -0.11 3.54 4.13 -1.26 -4.69 115.26 122.68 2wdj n ASN 123 Ca 0.51 -3.17 -0.25 0.00 1.68 0.00 0.00 54.58 53.35 2wdj n ASN 123 Cb 0.72 -0.55 -0.11 0.00 -1.54 0.00 0.00 39.78 38.29 2wdj n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2wdj n SER 124 N -0.73 1.92 0.25 6.41 7.64 -1.26 -4.18 113.62 123.68 2wdj n SER 124 Ca 0.23 0.34 0.13 0.00 1.01 0.00 0.00 58.87 60.59 2wdj n SER 124 Cb 0.90 -0.87 0.57 0.00 -1.01 0.00 0.00 64.21 63.80 2wdj n SER 124 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2wdj h PHE 125 N -0.87 0.00 -2.76 1.43 -1.00 -1.75 -3.39 116.94 108.60 2wdj h PHE 125 Ca -0.51 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.74 2wdj h PHE 125 Cb 1.51 0.00 0.03 0.00 3.61 0.00 0.00 35.95 41.11 2wdj h PHE 125 CO 0.02 0.00 0.93 -0.51 -1.61 0.00 0.00 178.31 177.14 2wdj s ASP 126 N -4.13 6.59 0.00 2.17 -0.00 -1.26 -0.81 116.67 119.22 2wdj s ASP 126 Ca -0.03 2.57 0.00 0.00 -0.00 0.00 0.00 52.55 55.10 2wdj s ASP 126 Cb 0.08 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.42 2wdj s ASP 126 CO 0.27 -0.86 0.00 0.61 -0.00 0.00 0.00 175.17 175.19 2wdj n GLY 127 N 3.86 2.47 0.00 0.21 0.00 -1.26 -4.77 105.19 105.71 2wdj n GLY 127 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wdj n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 128 N 0.00 0.00 0.00 1.61 5.12 -1.24 -5.13 116.66 117.02 2wdj n ARG 128 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wdj n ARG 128 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wdj n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdj n GLY 129 N 0.00 0.54 7.00 -0.13 0.00 0.01 -4.74 105.19 107.86 2wdj n GLY 129 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2wdj n GLY 129 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdj n ASN 130 N 0.00 -0.92 -3.15 1.61 3.02 -1.24 -4.27 115.26 110.31 2wdj n ASN 130 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 2wdj n ASN 130 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2wdj n ASN 130 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wdj s TYR 131 N 0.00 -0.30 -0.62 3.10 5.04 -0.99 -3.06 117.35 120.53 2wdj s TYR 131 Ca 0.00 0.26 -0.24 0.00 -2.44 0.00 0.00 57.07 54.66 2wdj s TYR 131 Cb 0.00 0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.45 2wdj s TYR 131 CO 0.00 -0.17 0.98 -0.80 -1.34 0.00 0.00 175.55 174.23 2wdj s ASN 132 N 2.97 6.24 0.73 4.32 0.01 -1.26 -3.30 114.94 124.66 2wdj s ASN 132 Ca 0.06 -0.66 -0.11 0.00 -0.71 0.00 0.00 52.86 51.43 2wdj s ASN 132 Cb -0.06 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.19 2wdj s ASN 132 CO -0.13 -1.38 1.10 -1.48 -1.51 0.00 0.00 177.10 173.70 2wdj s LEU 133 N 4.16 2.81 0.35 0.60 2.34 -1.11 -4.88 118.68 122.94 2wdj s LEU 133 Ca 0.27 1.15 0.08 0.00 0.06 0.00 0.00 54.13 55.68 2wdj s LEU 133 Cb -0.14 -3.89 -0.03 0.00 -0.56 0.00 0.00 46.19 41.57 2wdj s LEU 133 CO 0.15 -1.52 0.30 -0.83 -1.06 0.00 0.00 176.35 173.39 2wdj s GLY 134 N -4.27 1.83 -0.26 -3.48 0.00 -1.26 -3.66 107.32 96.23 2wdj s GLY 134 Ca 0.59 -1.69 -0.08 0.00 0.00 0.00 0.00 44.72 43.54 2wdj s GLY 134 CO 0.52 -1.60 0.54 1.08 0.00 0.00 0.00 173.10 173.64 2wdj s LEU 135 N -4.01 -0.94 0.00 0.66 1.02 -1.21 -4.83 118.68 109.37 2wdj s LEU 135 Ca 0.42 1.25 0.00 0.00 0.02 0.00 0.00 54.13 55.82 2wdj s LEU 135 Cb -0.05 1.86 0.00 0.00 0.02 0.00 0.00 46.19 48.02 2wdj s LEU 135 CO 0.27 -0.23 0.00 -1.14 0.02 0.00 0.00 176.35 175.27 2wdj n ARG 136 N 5.42 0.00 0.00 1.70 3.00 -1.26 -3.85 116.66 121.67 2wdj n ARG 136 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2wdj n ARG 136 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.93 2wdj n ARG 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wdj n GLU 137 N -0.19 2.14 0.00 -0.14 1.02 -1.26 -3.38 120.64 118.82 2wdj n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wdj n GLU 137 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2wdj n GLU 137 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2wdj n GLN 138 N 0.00 0.00 0.22 3.49 0.00 -1.26 -1.12 117.38 118.71 2wdj n GLN 138 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 57.15 2wdj n GLN 138 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 30.24 30.93 2wdj n GLN 138 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.06 178.43 2wdj h LEU 139 N 0.00 0.00 -0.87 1.69 8.10 -1.95 -3.23 115.31 119.05 2wdj h LEU 139 Ca 0.00 0.00 0.18 0.00 0.11 0.00 0.00 57.88 58.17 2wdj h LEU 139 Cb 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.11 2wdj h LEU 139 CO 0.00 0.00 0.42 0.16 -4.11 0.00 0.00 178.44 174.91 2wdj h ILE 140 N 0.00 0.61 -1.40 0.15 3.07 -1.91 -3.40 117.51 114.64 2wdj h ILE 140 Ca 0.00 -0.18 -0.58 0.00 1.55 0.00 0.00 64.86 65.66 2wdj h ILE 140 Cb 0.29 0.05 0.13 0.00 -0.27 0.00 0.00 36.82 37.03 2wdj h ILE 140 CO 0.00 0.09 -0.79 0.49 -1.05 0.00 0.00 178.15 176.90 2wdj n PHE 141 N -4.95 -1.61 -0.04 0.16 3.72 -1.22 -4.17 117.46 109.35 2wdj n PHE 141 Ca 0.19 0.63 -0.21 0.00 -0.05 0.00 0.00 57.45 58.01 2wdj n PHE 141 Cb 0.53 -1.65 -0.13 0.00 -0.94 0.00 0.00 39.48 37.29 2wdj n PHE 141 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wdj h PRO 142 N 0.42 0.14 -1.25 -1.08 0.13 -1.90 -3.35 132.00 125.11 2wdj h PRO 142 Ca -0.32 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2wdj h PRO 142 Cb 1.32 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2wdj h PRO 142 CO 0.45 1.11 0.00 -0.85 -0.23 0.00 0.00 178.00 178.48 2wdj n GLU 143 N -4.06 0.70 -0.46 0.86 0.28 -1.26 -4.58 120.64 112.11 2wdj n GLU 143 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.71 2wdj n GLU 143 Cb 0.83 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.53 2wdj n GLU 143 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2wdj n ILE 144 N 0.61 0.00 -4.10 3.84 2.08 -1.26 -4.42 119.36 116.11 2wdj n ILE 144 Ca 0.00 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.16 2wdj n ILE 144 Cb 0.33 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.18 2wdj n ILE 144 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2wdj s THR 145 N -2.57 0.00 0.00 1.39 -4.23 -1.26 -4.97 115.64 104.00 2wdj s THR 145 Ca 0.00 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2wdj s THR 145 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2wdj s THR 145 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2wdj n TYR 146 N -0.57 0.00 -1.91 3.99 9.36 -1.26 -4.61 117.16 122.16 2wdj n TYR 146 Ca 0.01 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.00 2wdj n TYR 146 Cb 0.62 -0.04 -0.07 0.00 -0.63 0.00 0.00 39.34 39.21 2wdj n TYR 146 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2wdj s ASP 147 N -1.56 4.53 0.05 2.98 1.47 -1.26 -2.94 116.67 119.94 2wdj s ASP 147 Ca 0.00 -1.21 0.00 0.00 1.18 0.00 0.00 52.55 52.52 2wdj s ASP 147 Cb 0.00 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 40.00 2wdj s ASP 147 CO 0.00 -3.55 0.00 0.80 0.68 0.00 0.00 175.17 173.10 2wdj n MET 148 N 8.38 0.00 -0.82 2.11 1.56 -1.26 -5.14 117.12 121.94 2wdj n MET 148 Ca 0.43 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.69 2wdj n MET 148 Cb 0.46 0.00 0.14 0.00 2.15 0.00 0.00 33.22 35.97 2wdj n MET 148 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2wdj n VAL 149 N -2.44 0.00 -1.54 1.12 0.24 -1.15 -5.02 118.33 109.54 2wdj n VAL 149 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2wdj n VAL 149 Cb 0.00 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.00 2wdj n VAL 149 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wdj n ASP 150 N -3.87 0.00 -3.55 -1.34 5.68 -1.26 -5.09 116.55 107.12 2wdj n ASP 150 Ca 0.09 -0.97 -0.01 0.00 -0.50 0.00 0.00 54.79 53.41 2wdj n ASP 150 Cb 0.35 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 2wdj n ASP 150 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wdj s ALA 151 N 0.00 -2.38 -0.62 2.12 0.00 -1.26 -5.11 121.76 114.51 2wdj s ALA 151 Ca 0.00 2.18 -0.26 0.00 0.00 0.00 0.00 51.96 53.88 2wdj s ALA 151 Cb 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2wdj s ALA 151 CO 0.00 -0.67 2.00 -0.51 0.00 0.00 0.00 175.76 176.58 2wdj s LEU 152 N 2.01 3.29 0.00 0.00 2.01 -1.26 -4.81 118.68 119.91 2wdj s LEU 152 Ca -0.06 0.39 0.31 0.00 0.01 0.00 0.00 54.13 54.78 2wdj s LEU 152 Cb -0.06 -2.53 1.81 0.00 0.01 0.00 0.00 46.19 45.43 2wdj s LEU 152 CO -0.17 -2.56 2.18 0.54 1.01 0.00 0.00 176.35 177.35 2wdj n ARG 153 N 9.11 0.87 -1.17 1.70 1.74 -1.26 -4.88 116.66 122.77 2wdj n ARG 153 Ca 0.26 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.85 2wdj n ARG 153 Cb 0.52 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 2wdj n ARG 153 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 154 N 1.04 -0.20 0.00 -0.13 0.00 -0.27 -4.72 105.19 100.90 2wdj n GLY 154 Ca 0.22 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.25 2wdj n GLY 154 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2wdj n MET 155 N 6.92 2.92 -3.81 1.61 0.00 -1.25 -4.54 117.12 118.98 2wdj n MET 155 Ca 0.52 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.93 2wdj n MET 155 Cb -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.04 2wdj n MET 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2wdj s ASP 156 N -1.00 3.21 0.39 3.17 1.11 -1.13 -3.29 116.67 119.13 2wdj s ASP 156 Ca 0.00 -0.93 0.04 0.00 0.18 0.00 0.00 52.55 51.84 2wdj s ASP 156 Cb 0.00 -0.80 0.04 0.00 1.07 0.00 0.00 42.92 43.23 2wdj s ASP 156 CO 0.00 -0.28 0.30 0.00 1.18 0.00 0.00 175.17 176.37 2wdj n ILE 157 N 4.92 0.00 -1.37 0.77 3.06 -1.24 -3.25 119.36 122.25 2wdj n ILE 157 Ca -0.10 -1.56 0.00 0.00 -2.50 0.00 0.00 62.75 58.59 2wdj n ILE 157 Cb 0.46 -0.16 0.00 0.00 0.54 0.00 0.00 39.64 40.48 2wdj n ILE 157 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wdj n ALA 158 N -2.18 0.00 0.00 1.51 0.00 -1.23 -2.76 120.51 115.85 2wdj n ALA 158 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wdj n ALA 158 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2wdj n ALA 158 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2wdj n VAL 159 N 0.00 0.00 -4.27 0.00 3.14 -1.21 -4.54 118.33 111.45 2wdj n VAL 159 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 2wdj n VAL 159 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 2wdj n VAL 159 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2wdj s VAL 160 N -0.38 3.04 0.11 1.55 1.01 -1.23 -2.34 120.40 122.16 2wdj s VAL 160 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.45 2wdj s VAL 160 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2wdj s VAL 160 CO 0.00 0.10 0.26 0.42 0.00 0.00 0.00 175.10 175.88 2wdj s THR 161 N -1.17 0.12 -0.35 3.92 -4.23 -1.26 -3.19 115.64 109.48 2wdj s THR 161 Ca 0.19 -1.03 0.27 0.00 -1.18 0.00 0.00 61.69 59.95 2wdj s THR 161 Cb -0.11 -1.33 0.33 0.00 1.34 0.00 0.00 72.50 72.72 2wdj s THR 161 CO 0.11 -0.53 1.78 0.74 -0.54 0.00 0.00 174.62 176.19 2wdj h THR 162 N 2.62 0.00 -0.02 3.99 2.02 -1.87 -3.39 112.91 116.26 2wdj h THR 162 Ca -0.34 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 2wdj h THR 162 Cb 1.22 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2wdj h THR 162 CO 0.53 0.00 0.77 0.00 0.37 0.00 0.00 175.52 177.19 2wdj n ALA 163 N -1.96 0.42 -1.00 6.16 0.00 -1.26 -4.80 120.51 118.07 2wdj n ALA 163 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2wdj n ALA 163 Cb 0.38 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2wdj n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdj n GLU 164 N 5.28 0.00 -1.56 0.00 1.02 -1.26 -3.68 120.64 120.45 2wdj n GLU 164 Ca 0.09 0.31 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 2wdj n GLU 164 Cb 0.49 -0.84 0.08 0.00 -0.02 0.00 0.00 31.44 31.15 2wdj n GLU 164 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wdj n THR 165 N -0.64 4.07 0.46 2.62 -2.24 -1.26 -3.52 114.28 113.76 2wdj n THR 165 Ca 0.00 -0.43 0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2wdj n THR 165 Cb 0.00 -1.36 0.46 0.00 -2.10 0.00 0.00 70.33 67.33 2wdj n THR 165 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wdj n ASP 166 N -2.04 0.61 -0.04 3.42 5.75 -1.26 -3.19 116.55 119.79 2wdj n ASP 166 Ca 0.15 0.63 -0.01 0.00 -0.01 0.00 0.00 54.79 55.55 2wdj n ASP 166 Cb 0.49 -0.77 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 2wdj n ASP 166 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2wdj h GLU 167 N 0.00 -0.03 -1.45 0.11 4.57 -1.92 1.61 114.58 117.48 2wdj h GLU 167 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2wdj h GLU 167 Cb 0.41 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2wdj h GLU 167 CO 0.00 0.04 0.00 -0.85 -1.18 0.00 0.00 179.01 177.02 2wdj n GLU 168 N -4.79 0.59 0.02 1.92 0.28 -1.20 -1.22 120.64 116.24 2wdj n GLU 168 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2wdj n GLU 168 Cb 0.04 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.70 2wdj n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wdj n ALA 169 N 0.77 2.78 -0.18 -1.84 0.00 -1.19 -4.65 120.51 116.20 2wdj n ALA 169 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2wdj n ALA 169 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 2wdj n ALA 169 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdj n ARG 170 N -2.61 -0.09 0.06 0.00 0.63 0.55 -0.54 116.66 114.67 2wdj n ARG 170 Ca 0.00 0.73 -0.11 0.00 -0.92 0.00 0.00 57.85 57.55 2wdj n ARG 170 Cb 0.00 -1.08 -0.13 0.00 0.45 0.00 0.00 32.46 31.70 2wdj n ARG 170 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdj h ALA 171 N 0.76 0.31 -1.41 5.13 0.00 -1.83 -3.29 119.26 118.93 2wdj h ALA 171 Ca 0.19 -0.98 0.41 0.00 0.00 0.00 0.00 54.91 54.52 2wdj h ALA 171 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2wdj h ALA 171 CO -0.47 1.19 1.20 1.28 0.00 0.00 0.00 179.25 182.45 2wdj n LEU 172 N -3.38 0.00 0.00 0.00 7.99 0.30 0.21 117.00 122.12 2wdj n LEU 172 Ca -0.06 0.80 0.00 0.00 -0.01 0.00 0.00 56.01 56.74 2wdj n LEU 172 Cb 0.99 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 2wdj n LEU 172 CO 0.49 -0.80 0.06 0.18 -1.51 0.00 0.00 177.39 175.81 2wdj n LEU 173 N -3.42 2.04 0.17 2.23 7.99 -1.24 -3.36 117.00 121.41 2wdj n LEU 173 Ca 0.32 0.18 0.18 0.00 -0.01 0.00 0.00 56.01 56.67 2wdj n LEU 173 Cb 1.62 -0.08 0.80 0.00 -0.11 0.00 0.00 43.42 45.65 2wdj n LEU 173 CO 0.32 -0.08 1.15 -0.33 -1.51 0.00 0.00 177.39 176.94 2wdj h GLU 174 N 0.00 0.00 0.00 3.23 3.07 -1.37 1.33 114.58 120.83 2wdj h GLU 174 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wdj h GLU 174 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2wdj h GLU 174 CO 0.00 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.50 2wdj n LEU 175 N -3.87 0.32 -0.23 1.33 7.94 0.56 -1.33 117.00 121.72 2wdj n LEU 175 Ca 0.03 0.59 0.07 0.00 -1.11 0.00 0.00 56.01 55.59 2wdj n LEU 175 Cb 0.39 -0.56 0.10 0.00 0.53 0.00 0.00 43.42 43.88 2wdj n LEU 175 CO 0.29 -0.45 0.46 0.18 -1.11 0.00 0.00 177.39 176.76 2wdj n LEU 176 N -1.87 1.63 -0.70 -1.96 4.77 0.45 -4.83 117.00 114.49 2wdj n LEU 176 Ca 0.02 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 2wdj n LEU 176 Cb 0.17 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wdj n LEU 176 CO 0.15 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2wdj n GLY 177 N -0.97 0.53 3.28 -0.72 0.00 -0.44 -5.02 105.19 101.85 2wdj n GLY 177 Ca 0.11 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2wdj n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wdj s PHE 178 N -2.35 3.29 -0.11 1.61 0.40 -1.05 -4.85 117.98 114.92 2wdj s PHE 178 Ca 0.00 -1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 54.63 2wdj s PHE 178 Cb 0.00 -2.49 -0.06 0.00 0.51 0.00 0.00 43.02 40.98 2wdj s PHE 178 CO 0.00 -0.75 1.96 -2.14 0.70 0.00 0.00 175.22 174.98 2wdj s PRO 179 N 1.42 3.74 0.45 0.24 0.02 -1.26 -4.19 135.00 135.42 2wdj s PRO 179 Ca 0.00 2.19 0.05 0.00 0.02 0.00 0.00 61.00 63.27 2wdj s PRO 179 Cb -0.20 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.08 2wdj s PRO 179 CO 0.03 -1.40 0.11 -0.06 -0.33 0.00 0.00 177.00 175.35 2wdj s PHE 180 N 5.85 2.29 0.00 6.54 0.40 -1.26 -4.26 117.98 127.54 2wdj s PHE 180 Ca 0.88 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2wdj s PHE 180 Cb -0.35 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.36 2wdj s PHE 180 CO 0.36 0.21 0.00 -2.13 0.70 0.00 0.00 175.22 174.36 2wdj n ARG 181 N -1.22 3.52 0.00 0.44 0.63 -1.25 -4.25 116.66 114.53 2wdj n ARG 181 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2wdj n ARG 181 Cb 0.66 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.90 2wdj n ARG 181 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75