#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n LEU 5 N 0.00 -1.16 0.00 -3.43 7.99 -1.26 -5.02 117.00 114.12 2wdk n LEU 5 Ca 0.00 2.20 0.00 0.00 -0.01 0.00 0.00 56.01 58.20 2wdk n LEU 5 Cb 0.00 -2.46 0.00 0.00 -0.11 0.00 0.00 43.42 40.85 2wdk n LEU 5 CO 0.00 -1.15 0.00 2.29 -1.51 0.00 0.00 177.39 177.02 2wdk n LYS 6 N -3.08 0.00 -3.12 3.23 0.00 -1.26 -4.93 118.16 109.00 2wdk n LYS 6 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.11 2wdk n LYS 6 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.48 2wdk n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wdk n LYS 7 N 0.00 0.99 0.00 -1.58 4.01 -1.26 -5.09 118.16 115.23 2wdk n LYS 7 Ca 0.00 -3.31 0.00 0.00 -0.51 0.00 0.00 58.31 54.49 2wdk n LYS 7 Cb 0.00 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 32.88 2wdk n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdk n GLY 8 N 0.25 -0.23 0.00 0.72 0.00 -1.26 -5.03 105.19 99.64 2wdk n GLY 8 Ca 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2wdk n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdk n VAL 9 N -0.61 0.00 0.00 1.61 0.31 -1.26 -4.94 118.33 113.44 2wdk n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdk n VAL 9 Cb 0.00 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 2wdk n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wdk n PHE 10 N 0.00 0.00 -1.69 3.52 -1.74 -1.26 -4.45 117.46 111.84 2wdk n PHE 10 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 57.45 56.37 2wdk n PHE 10 Cb 0.41 -0.27 -0.06 0.00 1.52 0.00 0.00 39.48 41.09 2wdk n PHE 10 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2wdk n VAL 11 N 0.36 0.47 -1.62 1.97 3.14 -1.26 -4.83 118.33 116.56 2wdk n VAL 11 Ca 0.00 -0.09 -0.39 0.00 -2.96 0.00 0.00 64.34 60.90 2wdk n VAL 11 Cb 0.00 -1.62 0.03 0.00 -1.06 0.00 0.00 33.84 31.19 2wdk n VAL 11 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wdk n ASP 12 N 6.15 1.12 0.13 6.55 10.43 -1.26 -4.96 116.55 134.71 2wdk n ASP 12 Ca 0.24 0.91 -0.24 0.00 2.57 0.00 0.00 54.79 58.27 2wdk n ASP 12 Cb 0.23 -1.39 -0.16 0.00 1.84 0.00 0.00 41.12 41.64 2wdk n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wdk h ASP 13 N 1.01 0.79 0.00 -2.24 5.19 -2.02 -3.36 116.42 115.79 2wdk h ASP 13 Ca -0.47 -0.91 0.00 0.00 -0.62 0.00 0.00 57.03 55.03 2wdk h ASP 13 Cb 1.35 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2wdk h ASP 13 CO 0.54 1.72 0.00 0.00 -3.12 0.00 0.00 179.24 178.38 2wdk n HIS 14 N -3.69 0.00 0.06 4.55 1.44 -1.26 -1.78 115.22 114.54 2wdk n HIS 14 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 2wdk n HIS 14 Cb 1.10 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.21 2wdk n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wdk n LEU 15 N 0.46 0.93 -0.28 2.39 7.99 -1.26 -4.43 117.00 122.81 2wdk n LEU 15 Ca 0.00 0.17 -0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2wdk n LEU 15 Cb 0.00 -0.25 0.06 0.00 -0.11 0.00 0.00 43.42 43.13 2wdk n LEU 15 CO 0.00 -0.75 0.66 -0.07 -1.51 0.00 0.00 177.39 175.72 2wdk h LEU 16 N 0.00 -0.98 -0.19 2.23 4.07 -1.53 1.61 115.31 120.52 2wdk h LEU 16 Ca 0.00 0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.24 2wdk h LEU 16 Cb 0.00 0.57 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 2wdk h LEU 16 CO 0.00 -0.28 -0.02 -0.08 -1.08 0.00 0.00 178.44 176.98 2wdk h GLU 17 N -0.05 0.04 0.00 1.13 4.81 -1.84 1.90 114.58 120.57 2wdk h GLU 17 Ca 0.34 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2wdk h GLU 17 Cb 0.58 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2wdk h GLU 17 CO -0.82 0.02 0.00 1.17 -0.73 0.00 0.00 179.01 178.66 2wdk n LYS 18 N -5.15 0.00 -0.12 1.92 3.00 0.36 -1.44 118.16 116.74 2wdk n LYS 18 Ca -0.03 0.39 -0.22 0.00 -0.00 0.00 0.00 58.31 58.45 2wdk n LYS 18 Cb 0.11 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.55 2wdk n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wdk n VAL 19 N -1.50 1.28 -0.05 3.15 0.31 0.46 -3.68 118.33 118.31 2wdk n VAL 19 Ca 0.02 -0.38 0.01 0.00 -0.01 0.00 0.00 64.34 63.98 2wdk n VAL 19 Cb 0.07 -1.65 0.33 0.00 -0.91 0.00 0.00 33.84 31.68 2wdk n VAL 19 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wdk h LEU 20 N -0.58 0.58 0.04 7.52 3.38 0.31 0.70 115.31 127.25 2wdk h LEU 20 Ca -0.57 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.09 2wdk h LEU 20 Cb 1.60 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 2wdk h LEU 20 CO -0.27 0.50 -1.40 -0.33 0.09 0.00 0.00 178.44 177.03 2wdk h GLU 21 N 0.65 0.08 0.00 1.13 5.08 -1.45 -3.13 114.58 116.95 2wdk h GLU 21 Ca 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wdk h GLU 21 Cb 0.08 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wdk h GLU 21 CO -0.02 0.87 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.46 2wdk h LEU 22 N 0.02 0.00 0.00 1.33 -0.00 -1.54 -3.01 115.31 112.11 2wdk h LEU 22 Ca -0.17 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2wdk h LEU 22 Cb 1.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 2wdk h LEU 22 CO 0.12 0.04 -0.52 -0.46 -0.00 0.00 0.00 178.44 177.62 2wdk n ASN 23 N -2.39 0.52 -4.56 -0.43 0.23 0.24 0.66 115.26 109.53 2wdk n ASN 23 Ca 0.04 -0.22 -0.28 0.00 -0.53 0.00 0.00 54.58 53.60 2wdk n ASN 23 Cb 0.46 0.25 -0.05 0.00 -2.08 0.00 0.00 39.78 38.37 2wdk n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wdk s ALA 24 N -3.02 1.63 -0.14 -2.53 0.00 -1.14 0.58 121.76 117.14 2wdk s ALA 24 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2wdk s ALA 24 Cb 0.17 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2wdk s ALA 24 CO 0.70 -4.77 0.00 1.63 0.00 0.00 0.00 175.76 173.33 2wdk n LYS 25 N 8.93 -0.15 -3.23 0.00 5.02 -1.26 -4.38 118.16 123.09 2wdk n LYS 25 Ca 0.37 0.41 -0.14 0.00 -2.02 0.00 0.00 58.31 56.93 2wdk n LYS 25 Cb 0.48 -3.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 2wdk n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdk n GLY 26 N -2.73 -0.73 0.00 0.72 0.00 0.20 -4.95 105.19 97.70 2wdk n GLY 26 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2wdk n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdk n GLU 27 N -1.71 2.03 0.00 1.61 4.71 0.21 -4.92 120.64 122.57 2wdk n GLU 27 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2wdk n GLU 27 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.82 2wdk n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdk n LYS 28 N 0.00 2.33 0.00 3.49 4.76 -1.26 -4.94 118.16 122.53 2wdk n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wdk n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wdk n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdk n ARG 29 N 0.00 0.00 -1.37 1.97 -4.01 -1.26 -4.95 116.66 107.04 2wdk n ARG 29 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 2wdk n ARG 29 Cb 0.00 0.00 -0.12 0.00 -3.04 0.00 0.00 32.46 29.30 2wdk n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wdk n LEU 30 N -0.00 -0.68 -4.14 2.89 0.00 -1.26 -4.34 117.00 109.47 2wdk n LEU 30 Ca 0.00 -1.24 -0.37 0.00 0.00 0.00 0.00 56.01 54.39 2wdk n LEU 30 Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 43.42 42.40 2wdk n LEU 30 CO 0.00 -2.01 -0.06 -0.51 0.00 0.00 0.00 177.39 174.81 2wdk s ILE 31 N 5.03 3.67 0.09 1.96 2.07 -1.22 -5.01 121.20 127.79 2wdk s ILE 31 Ca 0.78 -2.30 -0.30 0.00 -1.41 0.00 0.00 60.65 57.42 2wdk s ILE 31 Cb -0.36 -3.45 -0.06 0.00 0.13 0.00 0.00 42.46 38.73 2wdk s ILE 31 CO 0.26 -0.78 1.11 -0.54 -1.91 0.00 0.00 174.94 173.08 2wdk s LYS 32 N 0.77 4.52 0.10 3.50 1.02 -1.26 -2.38 119.74 126.02 2wdk s LYS 32 Ca 0.11 1.67 -0.18 0.00 0.02 0.00 0.00 55.97 57.59 2wdk s LYS 32 Cb -0.22 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2wdk s LYS 32 CO -0.03 -0.08 0.43 -0.08 -0.92 0.00 0.00 175.35 174.66 2wdk s THR 33 N 0.57 0.06 -0.21 2.17 -1.32 -1.10 -4.96 115.64 110.85 2wdk s THR 33 Ca 0.54 -0.47 0.16 0.00 -1.21 0.00 0.00 61.69 60.71 2wdk s THR 33 Cb -0.27 -1.09 0.40 0.00 -1.51 0.00 0.00 72.50 70.03 2wdk s THR 33 CO 0.31 -0.26 1.29 0.79 -2.21 0.00 0.00 174.62 174.54 2wdk n TRP 34 N -0.04 0.53 -1.94 9.09 8.01 -1.26 -2.15 117.44 129.68 2wdk n TRP 34 Ca -0.17 -0.87 -0.36 0.00 -1.31 0.00 0.00 57.50 54.79 2wdk n TRP 34 Cb 0.63 -0.22 -0.01 0.00 -2.01 0.00 0.00 31.31 29.69 2wdk n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wdk n SER 35 N -0.76 7.37 0.10 -0.99 3.41 -1.26 -4.55 113.62 116.94 2wdk n SER 35 Ca 0.18 -3.35 0.10 0.00 -0.26 0.00 0.00 58.87 55.53 2wdk n SER 35 Cb 0.74 -1.25 0.44 0.00 -0.26 0.00 0.00 64.21 63.88 2wdk n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wdk n ARG 36 N 0.84 0.13 -1.08 4.33 1.85 -1.26 -2.45 116.66 119.02 2wdk n ARG 36 Ca 0.54 0.43 -0.24 0.00 -1.00 0.00 0.00 57.85 57.58 2wdk n ARG 36 Cb 0.34 -1.79 0.09 0.00 -1.05 0.00 0.00 32.46 30.06 2wdk n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wdk n ARG 37 N -2.05 2.19 -4.18 2.89 -4.01 -1.26 -0.81 116.66 109.44 2wdk n ARG 37 Ca 0.02 -2.50 -0.12 0.00 -1.04 0.00 0.00 57.85 54.21 2wdk n ARG 37 Cb 0.17 -1.98 -0.10 0.00 -3.04 0.00 0.00 32.46 27.51 2wdk n ARG 37 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2wdk s SER 38 N -0.93 1.26 0.47 2.89 1.04 -1.03 -4.77 113.70 112.63 2wdk s SER 38 Ca 0.49 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 2wdk s SER 38 Cb 0.39 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2wdk s SER 38 CO 0.03 -0.42 0.77 -0.89 0.98 0.00 0.00 173.24 173.71 2wdk s THR 39 N -3.38 4.92 -0.77 2.02 2.01 -1.26 -1.49 115.64 117.68 2wdk s THR 39 Ca 0.11 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 2wdk s THR 39 Cb 0.04 -3.86 0.10 0.00 0.01 0.00 0.00 72.50 68.79 2wdk s THR 39 CO -0.03 -0.82 1.00 -0.63 -0.69 0.00 0.00 174.62 173.45 2wdk s ILE 40 N -2.70 4.59 0.70 1.82 1.01 -1.11 -4.79 121.20 120.71 2wdk s ILE 40 Ca 0.47 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 2wdk s ILE 40 Cb -0.10 -4.70 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 2wdk s ILE 40 CO 0.44 -1.43 0.84 0.52 0.00 0.00 0.00 174.94 175.31 2wdk n VAL 41 N 5.66 2.68 -1.87 2.92 0.31 -1.26 -4.63 118.33 122.15 2wdk n VAL 41 Ca 0.08 -0.40 -0.41 0.00 -0.01 0.00 0.00 64.34 63.59 2wdk n VAL 41 Cb 0.47 -1.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.38 2wdk n VAL 41 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2wdk s PRO 42 N -3.06 4.17 -0.54 5.55 0.02 -1.26 -3.31 135.00 136.57 2wdk s PRO 42 Ca 0.72 2.48 -0.02 0.00 0.02 0.00 0.00 61.00 64.19 2wdk s PRO 42 Cb -0.36 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2wdk s PRO 42 CO 0.52 -0.52 0.47 0.39 -0.33 0.00 0.00 177.00 177.52 2wdk n GLU 43 N 1.74 -3.13 0.00 5.54 -0.58 -1.26 -4.91 120.64 118.04 2wdk n GLU 43 Ca 0.06 0.35 0.10 0.00 -0.42 0.00 0.00 57.16 57.24 2wdk n GLU 43 Cb 0.39 -3.91 -0.03 0.00 -0.57 0.00 0.00 31.44 27.32 2wdk n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2wdk n MET 44 N -2.36 1.20 -1.25 3.49 2.81 -1.21 -5.01 117.12 114.80 2wdk n MET 44 Ca -0.04 -0.72 -0.39 0.00 -1.81 0.00 0.00 57.70 54.74 2wdk n MET 44 Cb 0.54 -1.41 0.01 0.00 -0.71 0.00 0.00 33.22 31.65 2wdk n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wdk n VAL 45 N -0.38 0.24 0.00 2.03 0.24 -1.26 -1.57 118.33 117.62 2wdk n VAL 45 Ca 0.07 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2wdk n VAL 45 Cb 0.40 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 2wdk n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdk n GLY 46 N 2.40 1.63 3.71 7.63 0.00 -1.26 -4.96 105.19 114.34 2wdk n GLY 46 Ca 0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2wdk n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wdk s HIS 47 N -0.13 3.06 -0.19 1.61 3.76 -0.61 -4.77 115.29 118.02 2wdk s HIS 47 Ca 0.00 0.76 -0.06 0.00 -0.15 0.00 0.00 55.06 55.61 2wdk s HIS 47 Cb 0.00 -3.80 -0.03 0.00 1.11 0.00 0.00 32.58 29.86 2wdk s HIS 47 CO 0.00 -2.91 0.02 0.95 -0.85 0.00 0.00 174.74 171.95 2wdk s THR 48 N 1.39 4.25 -0.15 1.30 -4.23 -1.26 -3.66 115.64 113.26 2wdk s THR 48 Ca 0.67 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 2wdk s THR 48 Cb -0.39 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2wdk s THR 48 CO 0.30 0.44 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.14 2wdk s ILE 49 N 0.73 3.69 -1.09 2.99 1.09 -0.63 -3.37 121.20 124.60 2wdk s ILE 49 Ca 0.01 -0.43 -0.15 0.00 -1.10 0.00 0.00 60.65 58.99 2wdk s ILE 49 Cb -0.14 -2.61 0.18 0.00 -1.06 0.00 0.00 42.46 38.83 2wdk s ILE 49 CO 0.02 0.49 1.26 0.00 -0.10 0.00 0.00 174.94 176.62 2wdk s ALA 50 N 0.43 3.92 0.31 9.38 0.00 -1.00 -0.91 121.76 133.90 2wdk s ALA 50 Ca -0.05 -3.26 -0.28 0.00 0.00 0.00 0.00 51.96 48.37 2wdk s ALA 50 Cb -0.15 -4.00 -0.10 0.00 0.00 0.00 0.00 23.12 18.88 2wdk s ALA 50 CO 0.03 -2.73 1.15 0.08 0.00 0.00 0.00 175.76 174.30 2wdk s VAL 51 N 1.44 3.27 0.82 0.00 1.01 -1.12 -2.71 120.40 123.11 2wdk s VAL 51 Ca 0.37 1.24 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 2wdk s VAL 51 Cb -0.05 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.74 2wdk s VAL 51 CO -0.04 0.27 1.11 0.00 0.00 0.00 0.00 175.10 176.44 2wdk n TYR 52 N 0.90 -3.58 -1.60 5.22 9.36 -0.91 0.22 117.16 126.77 2wdk n TYR 52 Ca 0.00 -1.32 0.00 0.00 3.32 0.00 0.00 57.90 59.90 2wdk n TYR 52 Cb 0.44 -0.84 0.00 0.00 -0.63 0.00 0.00 39.34 38.31 2wdk n TYR 52 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2wdk n ASN 53 N -3.44 0.00 0.00 2.98 0.23 -1.21 -4.77 115.26 109.06 2wdk n ASN 53 Ca 0.15 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.41 2wdk n ASN 53 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 2wdk n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wdk n GLY 54 N 0.00 2.03 0.75 4.83 0.00 -1.26 -4.85 105.19 106.69 2wdk n GLY 54 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 2wdk n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdk n LYS 55 N 0.00 0.16 -4.27 1.61 4.81 -1.26 -5.12 118.16 114.10 2wdk n LYS 55 Ca 0.00 0.06 -0.16 0.00 -0.87 0.00 0.00 58.31 57.35 2wdk n LYS 55 Cb 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 35.03 34.17 2wdk n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wdk s GLN 56 N -2.28 1.45 -0.16 1.64 -2.07 -1.26 -5.14 119.66 111.84 2wdk s GLN 56 Ca -0.09 -1.80 -0.21 0.00 -1.82 0.00 0.00 55.36 51.44 2wdk s GLN 56 Cb 0.01 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 2wdk s GLN 56 CO 0.13 -0.45 0.63 -1.01 -1.32 0.00 0.00 175.29 173.27 2wdk s HIS 57 N -3.81 3.44 -0.73 9.60 3.76 -1.26 -3.32 115.29 122.96 2wdk s HIS 57 Ca 0.38 1.00 -0.20 0.00 -0.15 0.00 0.00 55.06 56.09 2wdk s HIS 57 Cb 0.06 -2.78 0.10 0.00 1.11 0.00 0.00 32.58 31.08 2wdk s HIS 57 CO 0.17 -0.08 0.93 0.14 -0.85 0.00 0.00 174.74 175.05 2wdk s VAL 58 N 1.52 4.64 -0.33 -0.90 -7.23 0.60 -4.80 120.40 113.91 2wdk s VAL 58 Ca 0.30 -1.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 2wdk s VAL 58 Cb -0.16 -4.65 -0.07 0.00 0.56 0.00 0.00 36.38 32.06 2wdk s VAL 58 CO 0.12 -1.36 2.29 -0.81 -0.31 0.00 0.00 175.10 175.02 2wdk n PRO 59 N 6.80 1.56 -4.35 4.82 -0.04 -1.26 -2.77 135.00 139.75 2wdk n PRO 59 Ca 0.04 0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 2wdk n PRO 59 Cb 0.46 -3.18 -0.14 0.00 -0.04 0.00 0.00 33.50 30.60 2wdk n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdk s VAL 60 N 9.38 3.13 0.28 0.52 0.11 -0.08 -4.96 120.40 128.77 2wdk s VAL 60 Ca 1.02 -0.61 -0.21 0.00 -2.93 0.00 0.00 61.98 59.26 2wdk s VAL 60 Cb -0.37 -2.36 -0.09 0.00 -1.53 0.00 0.00 36.38 32.03 2wdk s VAL 60 CO 0.34 0.48 0.80 -0.47 -3.33 0.00 0.00 175.10 172.92 2wdk s TYR 61 N 0.88 3.60 0.39 1.54 5.04 -1.26 -1.61 117.35 125.93 2wdk s TYR 61 Ca -0.03 1.48 0.08 0.00 -2.44 0.00 0.00 57.07 56.16 2wdk s TYR 61 Cb -0.15 -2.70 -0.03 0.00 0.35 0.00 0.00 41.96 39.43 2wdk s TYR 61 CO 0.00 0.24 0.29 -1.50 -1.34 0.00 0.00 175.55 173.25 2wdk s ILE 62 N -1.65 2.77 0.02 3.14 1.10 -1.24 -4.98 121.20 120.35 2wdk s ILE 62 Ca 0.48 -1.46 -0.28 0.00 -0.51 0.00 0.00 60.65 58.87 2wdk s ILE 62 Cb -0.16 -3.02 0.10 0.00 0.15 0.00 0.00 42.46 39.53 2wdk s ILE 62 CO 0.21 -0.05 0.87 0.28 -2.11 0.00 0.00 174.94 174.13 2wdk s THR 63 N -2.47 0.00 -1.32 4.00 -1.32 -1.26 -4.12 115.64 109.15 2wdk s THR 63 Ca 0.44 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 2wdk s THR 63 Cb -0.02 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 2wdk s THR 63 CO 0.26 0.00 0.73 -1.84 -2.21 0.00 0.00 174.62 171.55 2wdk n GLU 64 N -0.27 0.00 0.10 7.08 0.28 -1.26 -2.50 120.64 124.06 2wdk n GLU 64 Ca -0.09 0.25 -0.06 0.00 -0.16 0.00 0.00 57.16 57.09 2wdk n GLU 64 Cb 0.62 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.93 2wdk n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2wdk h ASN 65 N 0.00 -0.29 -3.15 -1.84 4.21 -2.03 -3.44 115.58 109.04 2wdk h ASN 65 Ca 0.00 -0.03 -0.53 0.00 1.21 0.00 0.00 56.30 56.95 2wdk h ASN 65 Cb 0.05 0.07 0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2wdk h ASN 65 CO 0.00 0.19 0.67 0.00 -1.29 0.00 0.00 177.43 177.00 2wdk s MET 66 N -2.75 4.36 0.00 0.81 0.23 -1.04 -4.85 119.30 116.06 2wdk s MET 66 Ca -0.06 2.01 0.00 0.00 -1.03 0.00 0.00 55.69 56.61 2wdk s MET 66 Cb 0.00 -3.25 0.00 0.00 -1.53 0.00 0.00 34.83 30.06 2wdk s MET 66 CO 0.19 -0.35 0.00 1.33 -2.03 0.00 0.00 175.02 174.16 2wdk n VAL 67 N 3.54 0.00 0.10 5.16 0.24 -1.26 -4.74 118.33 121.37 2wdk n VAL 67 Ca 0.09 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.41 2wdk n VAL 67 Cb 0.43 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.86 2wdk n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdk n GLY 68 N -0.29 -0.54 3.58 7.63 0.00 -1.26 -2.75 105.19 111.56 2wdk n GLY 68 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2wdk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wdk s HIS 69 N -2.91 2.70 0.44 1.61 4.02 -1.26 -4.84 115.29 115.05 2wdk s HIS 69 Ca 0.02 0.47 -0.25 0.00 1.02 0.00 0.00 55.06 56.32 2wdk s HIS 69 Cb 0.02 -4.44 -0.09 0.00 -1.02 0.00 0.00 32.58 27.05 2wdk s HIS 69 CO 0.05 -1.45 1.28 1.63 1.02 0.00 0.00 174.74 177.26 2wdk n LYS 70 N 8.13 1.90 -0.43 1.40 4.76 -1.26 -4.08 118.16 128.58 2wdk n LYS 70 Ca 0.09 0.68 0.36 0.00 -2.87 0.00 0.00 58.31 56.57 2wdk n LYS 70 Cb 0.49 -2.40 0.64 0.00 -1.84 0.00 0.00 35.03 31.91 2wdk n LYS 70 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2wdk h LEU 71 N 2.01 0.26 -1.51 -0.35 3.38 -1.38 0.25 115.31 117.97 2wdk h LEU 71 Ca -0.48 0.14 0.21 0.00 0.09 0.00 0.00 57.88 57.83 2wdk h LEU 71 Cb 1.30 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 42.10 2wdk h LEU 71 CO 0.59 -0.17 0.60 1.23 0.09 0.00 0.00 178.44 180.79 2wdk h GLY 72 N 0.10 0.87 -3.14 0.83 0.00 -1.23 -1.81 103.07 98.70 2wdk h GLY 72 Ca 0.81 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2wdk h GLY 72 CO -0.42 -0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.29 2wdk n GLU 73 N -4.51 0.67 -0.35 4.80 1.02 0.89 -1.64 120.64 121.51 2wdk n GLU 73 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2wdk n GLU 73 Cb 0.71 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 2wdk n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wdk n PHE 74 N 1.52 0.00 -3.70 -0.32 3.72 -0.68 -4.99 117.46 113.01 2wdk n PHE 74 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2wdk n PHE 74 Cb 0.33 0.19 -0.15 0.00 -0.94 0.00 0.00 39.48 38.91 2wdk n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdk s ALA 75 N 0.00 1.24 -0.10 4.37 0.00 -0.65 -4.89 121.76 121.73 2wdk s ALA 75 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 2wdk s ALA 75 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 2wdk s ALA 75 CO 0.00 -1.52 1.86 -1.25 0.00 0.00 0.00 175.76 174.84 2wdk s PRO 76 N 1.76 3.87 0.11 0.00 0.04 -1.26 -4.83 135.00 134.69 2wdk s PRO 76 Ca 0.06 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 2wdk s PRO 76 Cb -0.17 -4.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 2wdk s PRO 76 CO -0.22 -1.24 1.48 1.79 0.04 0.00 0.00 177.00 178.84 2wdk h THR 77 N 6.04 1.29 -3.14 1.26 1.35 -1.91 -3.45 112.91 114.35 2wdk h THR 77 Ca -0.42 -1.33 -0.63 0.00 -0.55 0.00 0.00 66.41 63.48 2wdk h THR 77 Cb 1.20 1.40 -0.11 0.00 -1.73 0.00 0.00 68.15 68.91 2wdk h THR 77 CO 0.96 0.44 -0.66 -0.13 -0.25 0.00 0.00 175.52 175.88 2wdk s ARG 78 N -4.57 2.50 -0.16 4.72 0.52 -1.26 -4.98 118.95 115.73 2wdk s ARG 78 Ca -0.12 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.01 2wdk s ARG 78 Cb 0.09 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 2wdk s ARG 78 CO 0.83 0.50 0.26 0.99 0.02 0.00 0.00 175.30 177.90 2wdk s THR 79 N -1.49 5.32 0.00 0.02 2.01 -1.26 -4.65 115.64 115.60 2wdk s THR 79 Ca 0.26 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2wdk s THR 79 Cb -0.11 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2wdk s THR 79 CO 0.19 0.42 0.00 0.00 -0.69 0.00 0.00 174.62 174.54 2wdk n TYR 80 N 3.37 0.00 -3.84 4.92 9.36 -1.26 -5.16 117.16 124.56 2wdk n TYR 80 Ca -0.13 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.83 2wdk n TYR 80 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2wdk n TYR 80 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wdk s ARG 81 N -1.64 2.25 0.00 2.98 1.81 -1.26 -5.24 118.95 117.85 2wdk s ARG 81 Ca 0.00 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.00 2wdk s ARG 81 Cb 0.00 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 2wdk s ARG 81 CO 0.00 -0.64 0.00 0.41 -0.68 0.00 0.00 175.30 174.39