#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s ARG 2 N 0.00 1.05 0.77 0.03 3.52 -0.55 -4.89 118.95 118.87 2wwl s ARG 2 Ca 0.00 0.25 -0.12 0.00 -0.13 0.00 0.00 55.73 55.73 2wwl s ARG 2 Cb 0.00 0.49 0.05 0.00 -1.56 0.00 0.00 34.95 33.93 2wwl s ARG 2 CO 0.00 -0.33 1.12 -1.58 -0.81 0.00 0.00 175.30 173.70 2wwl s HIS 3 N -1.21 3.07 0.12 5.12 5.65 -1.26 -2.83 115.29 123.95 2wwl s HIS 3 Ca -0.11 0.99 -0.24 0.00 0.25 0.00 0.00 55.06 55.95 2wwl s HIS 3 Cb -0.00 -3.20 0.08 0.00 -1.18 0.00 0.00 32.58 28.27 2wwl s HIS 3 CO 0.10 -1.54 0.70 0.71 -0.65 0.00 0.00 174.74 174.05 2wwl s TYR 4 N -3.36 -0.45 -0.45 3.88 2.02 -0.62 -3.61 117.35 114.77 2wwl s TYR 4 Ca 0.60 0.24 0.05 0.00 -0.37 0.00 0.00 57.07 57.59 2wwl s TYR 4 Cb -0.12 0.57 0.29 0.00 -0.40 0.00 0.00 41.96 42.30 2wwl s TYR 4 CO 0.52 -0.79 1.08 0.39 -1.57 0.00 0.00 175.55 175.17 2wwl n GLU 5 N -0.35 0.78 -2.51 -0.62 4.71 -0.97 -2.75 120.64 118.93 2wwl n GLU 5 Ca -0.14 -1.64 -0.43 0.00 -0.01 0.00 0.00 57.16 54.94 2wwl n GLU 5 Cb 0.64 -1.03 -0.02 0.00 -1.01 0.00 0.00 31.44 30.01 2wwl n GLU 5 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wwl s ILE 6 N 0.39 4.25 -0.10 -3.67 1.01 -1.26 -3.74 121.20 118.08 2wwl s ILE 6 Ca 0.26 1.40 -0.00 0.00 0.00 0.00 0.00 60.65 62.30 2wwl s ILE 6 Cb 0.26 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2wwl s ILE 6 CO -0.14 -0.58 -0.07 0.54 0.00 0.00 0.00 174.94 174.69 2wwl s VAL 7 N 4.23 3.65 0.27 2.92 0.11 -0.86 -2.01 120.40 128.71 2wwl s VAL 7 Ca 0.52 -0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 58.94 2wwl s VAL 7 Cb -0.14 -2.52 0.01 0.00 -1.53 0.00 0.00 36.38 32.20 2wwl s VAL 7 CO 0.23 0.56 0.56 0.72 -3.33 0.00 0.00 175.10 173.84 2wwl s PHE 8 N -0.35 0.24 -0.25 1.54 -0.71 -1.19 -1.57 117.98 115.69 2wwl s PHE 8 Ca 0.05 -0.64 -0.04 0.00 -1.04 0.00 0.00 56.93 55.26 2wwl s PHE 8 Cb -0.12 0.35 0.01 0.00 -1.21 0.00 0.00 43.02 42.05 2wwl s PHE 8 CO 0.02 -1.10 -0.01 -1.64 -1.34 0.00 0.00 175.22 171.15 2wwl s MET 9 N -3.84 3.09 0.66 1.99 -1.94 -1.03 -2.95 119.30 115.29 2wwl s MET 9 Ca 0.19 -0.82 -0.03 0.00 -1.71 0.00 0.00 55.69 53.32 2wwl s MET 9 Cb -0.02 -3.11 0.07 0.00 2.01 0.00 0.00 34.83 33.78 2wwl s MET 9 CO 0.09 -0.34 0.94 0.08 -0.01 0.00 0.00 175.02 175.78 2wwl s VAL 10 N 1.43 2.38 0.06 -6.03 1.01 -1.12 -0.61 120.40 117.51 2wwl s VAL 10 Ca 0.03 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2wwl s VAL 10 Cb -0.16 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 2wwl s VAL 10 CO -0.02 0.00 0.94 -2.28 0.00 0.00 0.00 175.10 173.74 2wwl s HIS 11 N -3.08 3.74 0.12 5.22 2.46 -1.20 -2.98 115.29 119.57 2wwl s HIS 11 Ca 0.61 1.71 -0.26 0.00 0.47 0.00 0.00 55.06 57.59 2wwl s HIS 11 Cb -0.09 -3.05 -0.06 0.00 -0.13 0.00 0.00 32.58 29.25 2wwl s HIS 11 CO 0.43 0.13 1.63 -1.00 -2.47 0.00 0.00 174.74 173.45 2wwl h PRO 12 N 6.09 -0.42 -0.93 2.88 0.13 -1.86 -2.20 132.00 135.68 2wwl h PRO 12 Ca -0.42 0.03 0.24 0.00 -0.87 0.00 0.00 66.00 64.97 2wwl h PRO 12 Cb 1.21 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2wwl h PRO 12 CO 0.73 -0.28 0.45 -0.44 -0.23 0.00 0.00 178.00 178.23 2wwl h ASP 13 N -0.44 0.42 -1.55 1.44 3.32 -1.95 -2.31 116.42 115.35 2wwl h ASP 13 Ca 0.06 0.15 -0.72 0.00 0.02 0.00 0.00 57.03 56.54 2wwl h ASP 13 Cb 0.51 0.11 -0.29 0.00 0.22 0.00 0.00 39.33 39.88 2wwl h ASP 13 CO -0.22 0.01 0.82 0.00 -1.72 0.00 0.00 179.24 178.13 2wwl n GLN 14 N -5.01 2.80 0.10 3.56 1.13 -0.84 -4.46 117.38 114.66 2wwl n GLN 14 Ca 0.24 -3.51 -0.05 0.00 -1.94 0.00 0.00 57.00 51.73 2wwl n GLN 14 Cb 0.70 -2.28 0.03 0.00 0.11 0.00 0.00 30.24 28.81 2wwl n GLN 14 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2wwl h SER 15 N 2.57 0.08 0.00 1.08 0.87 -1.32 -2.91 113.55 113.92 2wwl h SER 15 Ca 0.56 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 2wwl h SER 15 Cb 0.43 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2wwl h SER 15 CO 1.44 0.84 0.37 1.05 -0.53 0.00 0.00 176.83 180.01 2wwl h GLU 16 N 0.03 0.00 -0.23 2.24 9.09 -1.86 -3.07 114.58 120.78 2wwl h GLU 16 Ca -0.02 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.21 2wwl h GLU 16 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 2wwl h GLU 16 CO 0.11 0.00 -0.59 1.96 0.05 0.00 0.00 179.01 180.54 2wwl h GLN 17 N 0.00 0.77 -0.50 1.06 4.20 -1.89 -3.38 115.11 115.37 2wwl h GLN 17 Ca 0.00 -0.51 0.08 0.00 0.06 0.00 0.00 58.65 58.27 2wwl h GLN 17 Cb 0.74 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.51 2wwl h GLN 17 CO 0.00 1.14 -0.19 0.28 -0.67 0.00 0.00 178.83 179.39 2wwl n VAL 18 N -3.98 -0.26 0.38 -0.54 0.31 -1.16 -1.88 118.33 111.20 2wwl n VAL 18 Ca -0.05 1.17 -0.18 0.00 -0.01 0.00 0.00 64.34 65.27 2wwl n VAL 18 Cb 0.65 -1.55 -0.09 0.00 -0.91 0.00 0.00 33.84 31.94 2wwl n VAL 18 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wwl h PRO 19 N 0.00 -0.99 -0.90 5.55 0.11 -1.86 -1.84 132.00 132.07 2wwl h PRO 19 Ca 0.18 0.07 0.24 0.00 0.11 0.00 0.00 66.00 66.60 2wwl h PRO 19 Cb 0.30 0.22 -0.14 0.00 0.11 0.00 0.00 31.00 31.50 2wwl h PRO 19 CO -0.50 -0.66 0.32 0.78 -0.21 0.00 0.00 178.00 177.74 2wwl h GLY 20 N -1.03 1.51 0.94 -0.55 0.00 -1.66 -1.58 103.07 100.70 2wwl h GLY 20 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wwl h GLY 20 CO 0.10 -0.36 -0.05 -0.33 0.00 0.00 0.00 176.54 175.89 2wwl h MET 21 N 0.27 -0.12 -0.53 4.80 2.86 -1.43 -1.84 114.93 118.94 2wwl h MET 21 Ca 0.58 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 58.33 2wwl h MET 21 Cb 1.18 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.77 2wwl h MET 21 CO -0.62 -0.08 -0.10 0.82 1.06 0.00 0.00 176.91 177.99 2wwl h ILE 22 N -0.13 0.50 0.12 -1.22 1.08 -0.99 -1.95 117.51 114.93 2wwl h ILE 22 Ca 0.00 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2wwl h ILE 22 Cb 0.12 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2wwl h ILE 22 CO -0.01 0.00 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.29 2wwl h GLU 23 N 0.02 -0.20 -0.82 2.37 4.57 -1.31 -1.89 114.58 117.33 2wwl h GLU 23 Ca 0.26 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.60 2wwl h GLU 23 Cb 0.40 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 2wwl h GLU 23 CO -0.52 -0.14 0.54 -0.09 -1.18 0.00 0.00 179.01 177.62 2wwl h ARG 24 N -0.21 0.53 0.00 1.92 2.43 -0.54 -1.22 114.38 117.30 2wwl h ARG 24 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wwl h ARG 24 Cb 0.18 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2wwl h ARG 24 CO 0.00 0.35 -0.12 1.88 -1.51 0.00 0.00 179.97 180.57 2wwl h TYR 25 N 0.55 0.00 -0.85 2.20 0.05 -1.26 -3.15 116.97 114.50 2wwl h TYR 25 Ca 0.41 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.41 2wwl h TYR 25 Cb 0.79 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.38 2wwl h TYR 25 CO -0.00 0.00 0.13 1.79 -1.05 0.00 0.00 178.16 179.03 2wwl h THR 26 N -0.81 0.28 -0.30 -2.88 1.35 -1.37 0.29 112.91 109.48 2wwl h THR 26 Ca 0.00 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 65.82 2wwl h THR 26 Cb 0.12 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.64 2wwl h THR 26 CO 0.00 0.03 0.17 0.00 -0.25 0.00 0.00 175.52 175.47 2wwl h ALA 27 N 1.78 0.37 -0.57 6.62 0.00 -1.38 -2.27 119.26 123.81 2wwl h ALA 27 Ca 0.51 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.46 2wwl h ALA 27 Cb 1.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2wwl h ALA 27 CO -0.69 -0.20 0.38 0.00 0.00 0.00 0.00 179.25 178.73 2wwl h ALA 28 N 1.13 1.75 0.50 0.00 0.00 -1.12 -1.66 119.26 119.86 2wwl h ALA 28 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wwl h ALA 28 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2wwl h ALA 28 CO -0.06 0.17 -0.42 0.82 0.00 0.00 0.00 179.25 179.77 2wwl h ILE 29 N 0.62 0.16 -0.78 0.00 2.04 -0.49 -3.01 117.51 116.06 2wwl h ILE 29 Ca 0.23 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.27 2wwl h ILE 29 Cb 0.15 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 36.28 2wwl h ILE 29 CO -0.06 0.00 0.17 0.74 0.00 0.00 0.00 178.15 179.00 2wwl h THR 30 N -0.90 0.45 0.00 -0.27 2.02 -1.19 0.48 112.91 113.50 2wwl h THR 30 Ca -0.05 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2wwl h THR 30 Cb 0.78 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2wwl h THR 30 CO -0.02 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.53 2wwl n GLY 31 N -1.37 -0.43 0.00 2.16 0.00 -0.65 -2.60 105.19 102.31 2wwl n GLY 31 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wwl n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwl n ALA 32 N -1.36 0.74 -1.54 4.61 0.00 -0.02 -5.05 120.51 117.89 2wwl n ALA 32 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 2wwl n ALA 32 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 2wwl n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wwl n GLU 33 N -0.00 -1.46 -3.88 0.00 -0.58 -0.17 -4.83 120.64 109.72 2wwl n GLU 33 Ca 0.00 1.43 -0.10 0.00 -0.42 0.00 0.00 57.16 58.07 2wwl n GLU 33 Cb 0.18 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 2wwl n GLU 33 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2wwl s GLY 34 N -0.18 0.57 -0.18 0.62 0.00 -1.04 -4.37 107.32 102.74 2wwl s GLY 34 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2wwl s GLY 34 CO 0.08 -0.44 -0.18 0.54 0.00 0.00 0.00 173.10 173.09 2wwl s LYS 35 N -2.65 3.05 -1.14 2.90 1.02 -1.08 -4.61 119.74 117.22 2wwl s LYS 35 Ca 0.18 -0.81 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 2wwl s LYS 35 Cb -0.04 -2.60 0.03 0.00 -0.52 0.00 0.00 37.83 34.70 2wwl s LYS 35 CO 0.13 -0.16 1.67 0.42 -0.92 0.00 0.00 175.35 176.49 2wwl s ILE 36 N 1.20 3.91 -0.95 2.17 -1.09 -1.26 -1.75 121.20 123.42 2wwl s ILE 36 Ca 0.02 -1.20 0.24 0.00 -2.23 0.00 0.00 60.65 57.48 2wwl s ILE 36 Cb -0.14 -4.96 0.20 0.00 -1.58 0.00 0.00 42.46 35.99 2wwl s ILE 36 CO -0.09 -1.77 1.75 1.57 -1.23 0.00 0.00 174.94 175.16 2wwl n HIS 37 N 9.80 0.11 0.00 3.97 -0.00 -1.25 -4.80 115.22 123.06 2wwl n HIS 37 Ca 0.41 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2wwl n HIS 37 Cb 0.48 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.79 2wwl n HIS 37 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2wwl n ARG 38 N -1.60 0.00 -3.75 1.57 0.63 -1.17 -4.60 116.66 107.74 2wwl n ARG 38 Ca 0.05 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.86 2wwl n ARG 38 Cb 0.28 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.06 2wwl n ARG 38 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2wwl s LEU 39 N 0.00 0.72 0.21 6.15 1.98 -1.24 -3.68 118.68 122.82 2wwl s LEU 39 Ca 0.00 0.40 0.00 0.00 -2.89 0.00 0.00 54.13 51.65 2wwl s LEU 39 Cb 0.00 0.57 -0.05 0.00 0.66 0.00 0.00 46.19 47.37 2wwl s LEU 39 CO 0.00 -0.14 0.09 -1.61 -1.89 0.00 0.00 176.35 172.81 2wwl s GLU 40 N 0.99 1.24 0.32 1.98 2.02 -1.21 -5.02 118.70 119.02 2wwl s GLU 40 Ca -0.07 -1.65 -0.02 0.00 0.02 0.00 0.00 54.97 53.25 2wwl s GLU 40 Cb -0.09 -0.00 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 2wwl s GLU 40 CO -0.06 -0.31 0.43 0.34 0.02 0.00 0.00 175.26 175.68 2wwl s ASP 41 N -3.21 0.85 0.00 -0.19 3.68 -1.26 -2.59 116.67 113.94 2wwl s ASP 41 Ca 0.35 -1.46 0.00 0.00 2.13 0.00 0.00 52.55 53.57 2wwl s ASP 41 Cb 0.07 0.62 0.00 0.00 -1.45 0.00 0.00 42.92 42.16 2wwl s ASP 41 CO 0.10 -1.22 0.17 0.79 0.13 0.00 0.00 175.17 175.15 2wwl n TRP 42 N -0.53 0.00 -4.42 -5.34 7.02 -0.94 -4.63 117.44 108.60 2wwl n TRP 42 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2wwl n TRP 42 Cb 0.62 0.15 -0.00 0.00 -2.42 0.00 0.00 31.31 29.66 2wwl n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wwl n GLY 43 N 0.00 -0.82 3.10 6.99 0.00 -0.93 -4.01 105.19 109.52 2wwl n GLY 43 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2wwl n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwl n ARG 44 N -1.79 3.05 -2.75 1.61 1.74 -1.26 -2.00 116.66 115.25 2wwl n ARG 44 Ca 0.00 -2.96 -0.40 0.00 -0.77 0.00 0.00 57.85 53.72 2wwl n ARG 44 Cb 0.00 -3.35 -0.06 0.00 -1.02 0.00 0.00 32.46 28.04 2wwl n ARG 44 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wwl s ARG 45 N 3.40 4.82 0.25 5.56 3.52 -0.91 -4.87 118.95 130.73 2wwl s ARG 45 Ca 0.49 1.48 -0.30 0.00 -0.13 0.00 0.00 55.73 57.27 2wwl s ARG 45 Cb 0.09 -3.22 -0.10 0.00 -1.56 0.00 0.00 34.95 30.16 2wwl s ARG 45 CO -0.02 0.48 1.49 -0.65 -0.81 0.00 0.00 175.30 175.80 2wwl s GLN 46 N -1.29 4.23 0.38 5.12 -1.52 -1.26 -2.16 119.66 123.16 2wwl s GLN 46 Ca 0.42 2.37 -0.19 0.00 -1.95 0.00 0.00 55.36 56.01 2wwl s GLN 46 Cb -0.25 -3.10 -0.10 0.00 -0.22 0.00 0.00 33.01 29.34 2wwl s GLN 46 CO 0.31 -0.49 0.87 -0.48 -0.25 0.00 0.00 175.29 175.26 2wwl s LEU 47 N -0.21 4.02 0.27 2.90 0.05 -1.08 -4.86 118.68 119.77 2wwl s LEU 47 Ca 0.61 1.55 0.01 0.00 0.05 0.00 0.00 54.13 56.35 2wwl s LEU 47 Cb -0.43 -4.32 0.37 0.00 -2.05 0.00 0.00 46.19 39.75 2wwl s LEU 47 CO 0.43 -0.28 1.71 0.00 -0.55 0.00 0.00 176.35 177.66 2wwl h ALA 48 N 2.15 1.06 -2.86 1.48 0.00 -1.94 -3.47 119.26 115.69 2wwl h ALA 48 Ca -0.48 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.12 2wwl h ALA 48 Cb 1.18 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2wwl h ALA 48 CO 0.63 0.57 0.27 1.52 0.00 0.00 0.00 179.25 182.24 2wwl s TYR 49 N -4.54 -0.38 0.26 0.00 -0.85 -1.26 -5.15 117.35 105.42 2wwl s TYR 49 Ca -0.07 0.10 -0.28 0.00 -0.52 0.00 0.00 57.07 56.30 2wwl s TYR 49 Cb 0.14 0.61 -0.09 0.00 0.38 0.00 0.00 41.96 42.99 2wwl s TYR 49 CO 0.80 -0.92 0.91 -2.14 -1.52 0.00 0.00 175.55 172.67 2wwl s PRO 50 N -3.68 4.71 -0.25 -3.49 0.02 -1.26 -5.00 135.00 126.05 2wwl s PRO 50 Ca 0.05 1.37 0.02 0.00 0.02 0.00 0.00 61.00 62.46 2wwl s PRO 50 Cb -0.02 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.45 2wwl s PRO 50 CO -0.05 0.44 -0.07 0.42 -0.33 0.00 0.00 177.00 177.41 2wwl s ILE 51 N -1.33 1.81 -1.11 2.83 -1.09 -1.26 -4.66 121.20 116.39 2wwl s ILE 51 Ca 0.43 -1.44 -0.01 0.00 -2.23 0.00 0.00 60.65 57.40 2wwl s ILE 51 Cb -0.23 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 2wwl s ILE 51 CO 0.28 -0.10 0.93 -3.20 -1.23 0.00 0.00 174.94 171.62 2wwl n ASN 52 N 4.56 -2.57 -0.26 3.58 2.85 -1.26 -4.67 115.26 117.48 2wwl n ASN 52 Ca -0.12 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.80 2wwl n ASN 52 Cb 0.43 -4.69 0.00 0.00 1.24 0.00 0.00 39.78 36.76 2wwl n ASN 52 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2wwl n LYS 53 N -3.94 0.00 0.00 1.20 4.01 -1.26 -5.08 118.16 113.09 2wwl n LYS 53 Ca -0.23 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.57 2wwl n LYS 53 Cb 0.64 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.16 2wwl n LYS 53 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wwl n LEU 54 N 0.00 0.00 0.00 -0.35 7.99 -1.26 -4.76 117.00 118.62 2wwl n LEU 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2wwl n LEU 54 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2wwl n LEU 54 CO 0.00 0.00 -0.36 1.41 -1.51 0.00 0.00 177.39 176.93 2wwl n HIS 55 N -2.15 0.00 -4.04 -1.77 8.25 -1.26 -4.58 115.22 109.67 2wwl n HIS 55 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2wwl n HIS 55 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2wwl n HIS 55 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2wwl s LYS 56 N -1.69 0.59 0.14 -0.41 -2.85 -1.26 -2.62 119.74 111.63 2wwl s LYS 56 Ca 0.00 -1.08 0.04 0.00 -1.00 0.00 0.00 55.97 53.93 2wwl s LYS 56 Cb 0.00 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2wwl s LYS 56 CO 0.00 -0.12 -0.09 0.00 0.10 0.00 0.00 175.35 175.24 2wwl s ALA 57 N -3.49 1.34 0.15 0.59 0.00 -0.92 -4.61 121.76 114.83 2wwl s ALA 57 Ca 0.03 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.37 2wwl s ALA 57 Cb 0.05 0.07 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 2wwl s ALA 57 CO -0.08 -0.13 0.59 -1.58 0.00 0.00 0.00 175.76 174.56 2wwl s HIS 58 N -3.38 3.65 0.08 0.00 2.46 -1.16 -2.13 115.29 114.81 2wwl s HIS 58 Ca 0.15 1.17 0.01 0.00 0.47 0.00 0.00 55.06 56.87 2wwl s HIS 58 Cb 0.03 -2.44 -0.04 0.00 -0.13 0.00 0.00 32.58 30.00 2wwl s HIS 58 CO -0.01 0.44 -0.06 0.71 -2.47 0.00 0.00 174.74 173.35 2wwl s TYR 59 N -1.42 0.79 0.16 3.88 1.51 -0.85 -2.81 117.35 118.62 2wwl s TYR 59 Ca 0.37 -0.85 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 2wwl s TYR 59 Cb -0.16 -0.47 0.06 0.00 -0.11 0.00 0.00 41.96 41.28 2wwl s TYR 59 CO 0.19 -0.17 0.81 0.54 -1.11 0.00 0.00 175.55 175.82 2wwl s VAL 60 N -3.18 0.00 0.21 0.71 0.11 -1.15 -2.18 120.40 114.92 2wwl s VAL 60 Ca 0.06 -0.52 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2wwl s VAL 60 Cb 0.02 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 2wwl s VAL 60 CO -0.04 0.00 0.29 -0.22 -3.33 0.00 0.00 175.10 171.80 2wwl s LEU 61 N -2.82 0.80 0.00 2.54 2.96 -1.07 -3.19 118.68 117.91 2wwl s LEU 61 Ca 0.08 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 2wwl s LEU 61 Cb -0.03 1.04 0.00 0.00 0.50 0.00 0.00 46.19 47.70 2wwl s LEU 61 CO -0.01 -0.97 0.00 0.23 -1.32 0.00 0.00 176.35 174.28 2wwl n MET 62 N -0.31 0.00 -0.39 1.98 2.81 -0.85 -3.66 117.12 116.70 2wwl n MET 62 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2wwl n MET 62 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 2wwl n MET 62 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2wwl n ASN 63 N 0.00 -0.22 -4.88 7.83 3.02 -1.23 -3.28 115.26 116.50 2wwl n ASN 63 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 2wwl n ASN 63 Cb 0.00 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 2wwl n ASN 63 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2wwl s VAL 64 N -2.03 4.84 -0.77 2.41 -7.23 -1.11 -3.02 120.40 113.49 2wwl s VAL 64 Ca 0.00 0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 60.63 2wwl s VAL 64 Cb 0.00 -3.71 0.20 0.00 0.56 0.00 0.00 36.38 33.43 2wwl s VAL 64 CO 0.00 -0.40 0.64 -0.70 -0.31 0.00 0.00 175.10 174.33 2wwl s GLU 65 N -3.60 3.04 0.50 4.82 2.12 -0.72 -1.59 118.70 123.27 2wwl s GLU 65 Ca 0.49 -2.83 0.06 0.00 0.36 0.00 0.00 54.97 53.05 2wwl s GLU 65 Cb -0.10 -3.94 0.03 0.00 0.26 0.00 0.00 34.13 30.38 2wwl s GLU 65 CO 0.29 -1.23 0.68 0.00 -0.54 0.00 0.00 175.26 174.46 2wwl s ALA 66 N -0.56 4.31 0.47 6.30 0.00 -1.13 -2.65 121.76 128.51 2wwl s ALA 66 Ca 0.21 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 2wwl s ALA 66 Cb -0.14 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.15 2wwl s ALA 66 CO -0.08 -0.56 0.87 -1.25 0.00 0.00 0.00 175.76 174.74 2wwl s PRO 67 N -4.56 3.78 0.34 0.00 0.04 -1.26 -1.49 135.00 131.85 2wwl s PRO 67 Ca 0.57 0.62 0.13 0.00 0.04 0.00 0.00 61.00 62.36 2wwl s PRO 67 Cb -0.09 -2.28 0.99 0.00 0.04 0.00 0.00 34.50 33.16 2wwl s PRO 67 CO 0.36 -0.19 1.71 0.37 0.04 0.00 0.00 177.00 179.29 2wwl h GLN 68 N 0.85 0.45 -1.30 4.56 5.75 -1.90 -2.29 115.11 121.23 2wwl h GLN 68 Ca -0.47 -0.03 0.42 0.00 -0.15 0.00 0.00 58.65 58.42 2wwl h GLN 68 Cb 1.19 -0.10 -0.12 0.00 1.07 0.00 0.00 27.48 29.52 2wwl h GLN 68 CO 0.63 0.30 0.85 0.93 -2.65 0.00 0.00 178.83 178.88 2wwl h GLU 69 N 0.46 0.12 0.00 1.69 5.08 -1.98 -3.14 114.58 116.81 2wwl h GLU 69 Ca 0.68 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.67 2wwl h GLU 69 Cb 1.45 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.60 2wwl h GLU 69 CO -0.50 0.08 -2.29 0.28 -1.00 0.00 0.00 179.01 175.58 2wwl n VAL 70 N -4.65 1.45 0.20 3.13 0.31 -0.86 -3.73 118.33 114.18 2wwl n VAL 70 Ca 0.36 -0.81 0.07 0.00 -0.01 0.00 0.00 64.34 63.95 2wwl n VAL 70 Cb 1.37 -0.70 0.60 0.00 -0.91 0.00 0.00 33.84 34.20 2wwl n VAL 70 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 2wwl h ILE 71 N 0.00 1.02 0.04 2.52 6.09 -1.64 -1.42 117.51 124.12 2wwl h ILE 71 Ca -0.51 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 62.94 2wwl h ILE 71 Cb 2.17 0.89 -0.00 0.00 0.47 0.00 0.00 36.82 40.34 2wwl h ILE 71 CO 0.02 0.02 -0.03 0.44 -3.07 0.00 0.00 178.15 175.53 2wwl h ASP 72 N 0.12 -0.09 -0.48 2.19 3.32 -1.64 -2.82 116.42 117.01 2wwl h ASP 72 Ca 0.04 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.23 2wwl h ASP 72 Cb 0.01 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2wwl h ASP 72 CO -0.01 -0.05 0.37 1.05 -1.72 0.00 0.00 179.24 178.88 2wwl h GLU 73 N -0.08 0.00 0.06 3.56 4.11 -1.60 -2.49 114.58 118.15 2wwl h GLU 73 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2wwl h GLU 73 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wwl h GLU 73 CO 0.00 0.00 -0.03 -0.07 0.07 0.00 0.00 179.01 178.98 2wwl h LEU 74 N 0.00 -0.07 -0.84 3.06 3.38 -1.28 -0.89 115.31 118.67 2wwl h LEU 74 Ca 0.23 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2wwl h LEU 74 Cb 0.97 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2wwl h LEU 74 CO -0.00 0.33 0.17 -0.08 0.09 0.00 0.00 178.44 178.95 2wwl h GLU 75 N -0.49 1.04 -0.02 1.13 4.57 -1.22 -2.39 114.58 117.20 2wwl h GLU 75 Ca -0.01 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 57.96 2wwl h GLU 75 Cb 0.43 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 2wwl h GLU 75 CO 0.01 0.91 -0.07 1.15 -1.18 0.00 0.00 179.01 179.83 2wwl h THR 76 N 0.99 0.80 -0.77 0.32 2.02 -1.24 -2.65 112.91 112.39 2wwl h THR 76 Ca 0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.46 2wwl h THR 76 Cb 0.34 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 2wwl h THR 76 CO -0.00 0.00 -0.47 0.74 0.37 0.00 0.00 175.52 176.16 2wwl h THR 77 N -0.12 0.00 -0.86 3.16 2.02 -0.65 -2.47 112.91 113.99 2wwl h THR 77 Ca 0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2wwl h THR 77 Cb 0.17 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.51 2wwl h THR 77 CO -0.09 0.00 0.52 -0.26 0.37 0.00 0.00 175.52 176.06 2wwl h PHE 78 N -0.02 0.96 0.00 3.16 0.04 -1.29 -0.56 116.94 119.24 2wwl h PHE 78 Ca 0.12 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.92 2wwl h PHE 78 Cb 0.33 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2wwl h PHE 78 CO -1.00 0.45 0.00 0.54 -0.60 0.00 0.00 178.31 177.71 2wwl n ARG 79 N -4.66 0.49 -0.52 1.51 5.12 -0.93 -3.13 116.66 114.53 2wwl n ARG 79 Ca 0.13 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.04 2wwl n ARG 79 Cb 0.22 -1.24 -0.02 0.00 -1.16 0.00 0.00 32.46 30.26 2wwl n ARG 79 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2wwl n PHE 80 N 0.25 0.00 -3.67 -1.55 3.72 -0.25 -5.04 117.46 110.92 2wwl n PHE 80 Ca 0.00 -0.12 -0.13 0.00 -0.05 0.00 0.00 57.45 57.15 2wwl n PHE 80 Cb 0.12 0.29 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 2wwl n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2wwl s ASN 81 N -0.24 0.27 -0.02 4.37 2.47 -1.02 -5.01 114.94 115.76 2wwl s ASN 81 Ca 0.00 0.61 0.18 0.00 0.42 0.00 0.00 52.86 54.07 2wwl s ASN 81 Cb 0.00 0.71 0.53 0.00 -1.45 0.00 0.00 41.25 41.04 2wwl s ASN 81 CO 0.00 -0.23 1.44 0.47 -3.72 0.00 0.00 177.10 175.06 2wwl n ASP 82 N 5.25 3.29 0.03 -4.21 10.43 -1.26 -4.18 116.55 125.90 2wwl n ASP 82 Ca -0.08 -2.06 -0.22 0.00 2.57 0.00 0.00 54.79 55.00 2wwl n ASP 82 Cb 0.50 -0.42 -0.14 0.00 1.84 0.00 0.00 41.12 42.90 2wwl n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wwl h ALA 83 N 4.04 0.29 -2.72 2.24 0.00 -1.96 -3.42 119.26 117.74 2wwl h ALA 83 Ca 0.00 -1.26 -0.53 0.00 0.00 0.00 0.00 54.91 53.13 2wwl h ALA 83 Cb 0.86 0.59 0.05 0.00 0.00 0.00 0.00 17.79 19.29 2wwl h ALA 83 CO 0.03 1.13 0.74 0.08 0.00 0.00 0.00 179.25 181.23 2wwl s VAL 84 N -2.55 2.80 0.00 0.00 1.01 -1.26 -3.27 120.40 117.13 2wwl s VAL 84 Ca -0.20 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2wwl s VAL 84 Cb 0.06 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2wwl s VAL 84 CO 0.80 0.10 0.00 -0.38 0.00 0.00 0.00 175.10 175.62 2wwl n ILE 85 N 2.55 0.00 -0.92 2.22 2.08 0.22 -4.96 119.36 120.55 2wwl n ILE 85 Ca 0.07 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.31 2wwl n ILE 85 Cb 0.41 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.35 2wwl n ILE 85 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wwl n ARG 86 N 0.00 -0.89 -3.45 0.38 1.74 -1.26 -4.87 116.66 108.30 2wwl n ARG 86 Ca 0.00 -0.43 -0.12 0.00 -0.77 0.00 0.00 57.85 56.53 2wwl n ARG 86 Cb 0.00 -0.34 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 2wwl n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wwl s SER 87 N -2.14 -0.53 0.02 0.55 0.01 -1.26 -2.47 113.70 107.87 2wwl s SER 87 Ca 0.17 0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 2wwl s SER 87 Cb -0.01 0.54 0.10 0.00 0.21 0.00 0.00 66.02 66.86 2wwl s SER 87 CO 0.12 -0.83 0.88 -0.32 0.41 0.00 0.00 173.24 173.50 2wwl s MET 88 N -3.22 0.88 -0.27 12.44 1.75 -0.61 -4.97 119.30 125.30 2wwl s MET 88 Ca 0.00 -0.34 -0.25 0.00 -1.25 0.00 0.00 55.69 53.85 2wwl s MET 88 Cb -0.01 0.39 0.08 0.00 2.84 0.00 0.00 34.83 38.13 2wwl s MET 88 CO -0.09 -0.39 0.77 0.54 -0.65 0.00 0.00 175.02 175.20 2wwl s VAL 89 N -3.17 0.00 0.34 10.11 0.11 -1.26 -2.02 120.40 124.51 2wwl s VAL 89 Ca 0.05 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.20 2wwl s VAL 89 Cb -0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.78 2wwl s VAL 89 CO -0.08 0.00 -0.07 -0.04 -3.33 0.00 0.00 175.10 171.58 2wwl s MET 90 N 0.33 1.89 0.21 1.54 -1.94 -1.25 -4.99 119.30 115.09 2wwl s MET 90 Ca 0.00 -1.88 -0.13 0.00 -1.71 0.00 0.00 55.69 51.97 2wwl s MET 90 Cb -0.05 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 35.02 2wwl s MET 90 CO 0.00 0.15 0.44 -0.98 -0.01 0.00 0.00 175.02 174.62 2wwl s ARG 91 N -3.64 1.40 0.40 2.03 1.04 -1.26 -2.28 118.95 116.64 2wwl s ARG 91 Ca 0.33 -1.12 0.00 0.00 -1.04 0.00 0.00 55.73 53.90 2wwl s ARG 91 Cb 0.01 0.46 0.00 0.00 -2.04 0.00 0.00 34.95 33.39 2wwl s ARG 91 CO 0.17 -0.57 0.00 0.25 -0.04 0.00 0.00 175.30 175.11 2wwl n THR 92 N -0.33 0.00 -3.60 4.99 -2.24 -1.24 -4.92 114.28 106.95 2wwl n THR 92 Ca -0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.49 2wwl n THR 92 Cb 0.62 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.93 2wwl n THR 92 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wwl n LYS 93 N 13.76 -7.73 0.00 -0.78 5.02 -1.26 -4.71 118.16 122.46 2wwl n LYS 93 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2wwl n LYS 93 Cb 0.00 -5.87 0.00 0.00 -0.02 0.00 0.00 35.03 29.14 2wwl n LYS 93 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2wwl n HIS 94 N -4.91 -1.30 -3.69 2.13 1.44 -1.26 -4.73 115.22 102.90 2wwl n HIS 94 Ca -0.02 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.32 2wwl n HIS 94 Cb 0.57 0.11 -0.06 0.00 0.12 0.00 0.00 29.99 30.73 2wwl n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wwl s ALA 95 N -1.39 3.75 -0.16 1.59 0.00 -1.26 -4.84 121.76 119.45 2wwl s ALA 95 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2wwl s ALA 95 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2wwl s ALA 95 CO 0.00 0.44 -0.19 0.08 0.00 0.00 0.00 175.76 176.09 2wwl s VAL 96 N -0.63 1.93 -0.19 0.00 1.01 -1.26 -5.00 120.40 116.26 2wwl s VAL 96 Ca 0.17 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2wwl s VAL 96 Cb -0.14 -1.75 -0.21 0.00 0.00 0.00 0.00 36.38 34.29 2wwl s VAL 96 CO 0.06 0.52 0.27 0.74 0.00 0.00 0.00 175.10 176.69 2wwl h THR 97 N 5.94 0.89 -3.55 3.92 2.02 -1.95 -3.44 112.91 116.73 2wwl h THR 97 Ca -0.41 -2.22 -0.15 0.00 0.77 0.00 0.00 66.41 64.39 2wwl h THR 97 Cb 1.15 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 2wwl h THR 97 CO 0.59 0.44 0.05 -1.61 0.37 0.00 0.00 175.52 175.37 2wwl s GLU 98 N -2.40 2.11 0.00 6.66 0.41 -1.26 -4.66 118.70 119.56 2wwl s GLU 98 Ca -0.27 -1.62 0.00 0.00 -0.41 0.00 0.00 54.97 52.67 2wwl s GLU 98 Cb 0.06 0.54 0.00 0.00 -1.78 0.00 0.00 34.13 32.95 2wwl s GLU 98 CO 0.63 -0.94 0.00 0.00 -0.49 0.00 0.00 175.26 174.46 2wwl n ALA 99 N -0.56 -0.86 -0.36 5.21 0.00 -1.26 -5.22 120.51 117.45 2wwl n ALA 99 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wwl n ALA 99 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2wwl n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93