#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jw2 n HIS 2 N 0.00 -1.87 -1.37 2.03 -0.00 -1.26 -5.15 115.22 107.60 2jw2 n HIS 2 Ca 0.00 -1.54 -0.30 0.00 -0.00 0.00 0.00 57.72 55.88 2jw2 n HIS 2 Cb 0.00 1.45 0.21 0.00 -0.00 0.00 0.00 29.99 31.66 2jw2 n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jw2 s HIS 3 N 0.14 1.04 -0.19 -1.40 4.02 -1.26 -5.08 115.29 112.56 2jw2 s HIS 3 Ca 0.13 0.49 -0.07 0.00 1.02 0.00 0.00 55.06 56.64 2jw2 s HIS 3 Cb 0.34 -3.63 0.09 0.00 -1.02 0.00 0.00 32.58 28.35 2jw2 s HIS 3 CO -0.09 -3.36 0.41 -1.58 1.02 0.00 0.00 174.74 171.14 2jw2 s HIS 4 N -3.29 -0.76 0.01 1.40 5.65 -1.26 -5.15 115.29 111.90 2jw2 s HIS 4 Ca 0.71 1.47 -0.16 0.00 0.25 0.00 0.00 55.06 57.33 2jw2 s HIS 4 Cb -0.09 0.28 -0.06 0.00 -1.18 0.00 0.00 32.58 31.53 2jw2 s HIS 4 CO 0.55 -0.46 0.44 -1.01 -0.65 0.00 0.00 174.74 173.60 2jw2 s HIS 5 N 2.51 3.74 -0.35 3.88 4.02 -1.26 -5.00 115.29 122.83 2jw2 s HIS 5 Ca -0.02 1.04 -0.03 0.00 1.02 0.00 0.00 55.06 57.07 2jw2 s HIS 5 Cb -0.12 -2.33 0.26 0.00 -1.02 0.00 0.00 32.58 29.37 2jw2 s HIS 5 CO -0.12 0.62 1.18 -2.39 1.02 0.00 0.00 174.74 175.04 2jw2 n HIS 6 N 1.85 -0.80 -2.95 1.40 -0.00 -1.26 -5.13 115.22 108.34 2jw2 n HIS 6 Ca -0.13 -0.76 -0.42 0.00 -0.00 0.00 0.00 57.72 56.40 2jw2 n HIS 6 Cb 0.52 1.13 -0.05 0.00 -0.00 0.00 0.00 29.99 31.58 2jw2 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jw2 s HIS 7 N 0.37 3.10 -0.08 -1.40 4.02 -1.26 -5.04 115.29 114.99 2jw2 s HIS 7 Ca 0.26 0.53 -0.06 0.00 1.02 0.00 0.00 55.06 56.80 2jw2 s HIS 7 Cb 0.19 -3.44 -0.04 0.00 -1.02 0.00 0.00 32.58 28.26 2jw2 s HIS 7 CO -0.10 -0.77 0.17 0.45 1.02 0.00 0.00 174.74 175.51 2jw2 s SER 8 N 1.88 6.41 -0.09 1.40 0.15 -1.26 -5.09 113.70 117.09 2jw2 s SER 8 Ca 0.32 0.46 -0.07 0.00 0.70 0.00 0.00 55.95 57.36 2jw2 s SER 8 Cb -0.13 -2.06 0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2jw2 s SER 8 CO 0.18 0.36 0.24 -0.55 1.20 0.00 0.00 173.24 174.66 2jw2 s SER 9 N -1.28 -0.25 -0.44 5.45 0.15 -1.26 -5.09 113.70 110.98 2jw2 s SER 9 Ca 0.19 0.49 0.07 0.00 0.70 0.00 0.00 55.95 57.39 2jw2 s SER 9 Cb -0.12 0.44 0.23 0.00 -1.71 0.00 0.00 66.02 64.86 2jw2 s SER 9 CO 0.08 -0.12 0.52 0.61 1.20 0.00 0.00 173.24 175.54 2jw2 n GLY 10 N 3.50 3.05 3.56 9.45 0.00 -1.26 -5.09 105.19 118.41 2jw2 n GLY 10 Ca -0.18 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 2jw2 n GLY 10 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jw2 s LEU 11 N -1.17 3.62 -0.46 0.99 2.34 -1.26 -5.03 118.68 117.71 2jw2 s LEU 11 Ca 0.35 -0.03 0.08 0.00 0.06 0.00 0.00 54.13 54.59 2jw2 s LEU 11 Cb 0.14 -1.92 0.26 0.00 -0.56 0.00 0.00 46.19 44.11 2jw2 s LEU 11 CO -0.11 0.12 0.61 1.33 -1.06 0.00 0.00 176.35 177.24 2jw2 n VAL 12 N 3.86 0.27 -1.89 1.48 0.24 -1.26 -5.10 118.33 115.94 2jw2 n VAL 12 Ca -0.17 -4.42 -0.30 0.00 -2.04 0.00 0.00 64.34 57.41 2jw2 n VAL 12 Cb 0.52 -1.86 0.07 0.00 -1.47 0.00 0.00 33.84 31.10 2jw2 n VAL 12 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jw2 s PRO 13 N -1.69 2.37 -0.02 7.34 0.04 -1.26 -5.10 135.00 136.68 2jw2 s PRO 13 Ca 0.37 0.28 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 2jw2 s PRO 13 Cb 0.18 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2jw2 s PRO 13 CO -0.08 -1.34 0.08 0.50 0.04 0.00 0.00 177.00 176.20 2jw2 s ARG 14 N -5.47 0.18 0.00 4.56 3.52 -1.26 -4.89 118.95 115.60 2jw2 s ARG 14 Ca 0.60 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 2jw2 s ARG 14 Cb -0.11 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 2jw2 s ARG 14 CO 0.50 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 2jw2 n GLY 15 N 2.63 3.13 0.18 8.12 0.00 -1.26 -4.83 105.19 113.17 2jw2 n GLY 15 Ca -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2jw2 n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jw2 n SER 16 N 0.91 0.32 -0.02 1.61 7.64 -1.26 -3.97 113.62 118.86 2jw2 n SER 16 Ca 0.00 -1.81 0.24 0.00 1.01 0.00 0.00 58.87 58.31 2jw2 n SER 16 Cb 0.00 -0.16 0.70 0.00 -1.01 0.00 0.00 64.21 63.74 2jw2 n SER 16 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2jw2 h GLN 17 N 0.03 0.00 0.00 1.43 1.08 -1.92 0.04 115.11 115.78 2jw2 h GLN 17 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jw2 h GLN 17 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2jw2 h GLN 17 CO 0.00 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.27 2jw2 n GLU 18 N -3.77 0.00 -0.32 1.46 -0.58 -1.25 -1.68 120.64 114.49 2jw2 n GLU 18 Ca 0.12 0.49 0.33 0.00 -0.42 0.00 0.00 57.16 57.69 2jw2 n GLU 18 Cb 0.83 -1.21 0.72 0.00 -0.57 0.00 0.00 31.44 31.20 2jw2 n GLU 18 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2jw2 h ILE 19 N 0.00 0.42 -0.22 -3.67 5.03 -1.78 0.45 117.51 117.75 2jw2 h ILE 19 Ca 0.00 -0.02 -0.04 0.00 -0.12 0.00 0.00 64.86 64.68 2jw2 h ILE 19 Cb 0.00 0.36 -0.01 0.00 -3.03 0.00 0.00 36.82 34.14 2jw2 h ILE 19 CO 0.00 0.01 -0.03 -0.33 -0.68 0.00 0.00 178.15 177.12 2jw2 h GLU 20 N 0.06 0.41 -0.58 2.37 4.39 -1.03 -2.92 114.58 117.28 2jw2 h GLU 20 Ca 0.57 -0.14 0.11 0.00 0.34 0.00 0.00 59.36 60.23 2jw2 h GLU 20 Cb 2.15 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 30.66 2jw2 h GLU 20 CO -0.05 0.62 -0.29 0.00 -1.16 0.00 0.00 179.01 178.13 2jw2 h ALA 21 N 0.77 0.06 -0.01 3.43 0.00 0.83 1.73 119.26 126.06 2jw2 h ALA 21 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jw2 h ALA 21 Cb 0.46 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jw2 h ALA 21 CO 0.02 -0.62 0.01 0.87 0.00 0.00 0.00 179.25 179.53 2jw2 h LYS 22 N -0.14 0.00 0.00 0.00 1.79 -1.48 -2.09 116.57 114.66 2jw2 h LYS 22 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2jw2 h LYS 22 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2jw2 h LYS 22 CO -0.66 0.00 -0.21 0.93 -1.08 0.00 0.00 179.45 178.43 2jw2 h GLU 23 N 0.00 0.00 -0.87 3.15 4.39 0.11 -3.00 114.58 118.36 2jw2 h GLU 23 Ca 0.00 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.88 2jw2 h GLU 23 Cb 0.03 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.51 2jw2 h GLU 23 CO -0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 177.65 2jw2 n ALA 24 N -2.84 0.23 0.06 3.43 0.00 0.51 0.26 120.51 122.16 2jw2 n ALA 24 Ca -0.03 0.96 -0.09 0.00 0.00 0.00 0.00 53.44 54.28 2jw2 n ALA 24 Cb 0.11 -0.58 0.04 0.00 0.00 0.00 0.00 19.45 19.01 2jw2 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jw2 n ASP 26 N -3.82 0.43 -0.01 0.00 2.03 0.40 -3.53 116.55 112.05 2jw2 n ASP 26 Ca -0.04 0.51 -0.22 0.00 0.52 0.00 0.00 54.79 55.56 2jw2 n ASP 26 Cb 0.70 -0.61 -0.13 0.00 -0.72 0.00 0.00 41.12 40.36 2jw2 n ASP 26 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 2jw2 h TRP 27 N 0.00 0.40 0.05 -0.67 7.01 0.36 -3.31 115.95 119.79 2jw2 h TRP 27 Ca 0.00 -0.29 0.00 0.00 2.11 0.00 0.00 58.89 60.71 2jw2 h TRP 27 Cb 0.62 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 2jw2 h TRP 27 CO 0.00 1.72 -0.21 -0.07 -2.79 0.00 0.00 178.44 177.08 2jw2 h LEU 28 N -0.16 -0.64 -1.97 0.65 3.38 -1.37 0.23 115.31 115.43 2jw2 h LEU 28 Ca -0.40 0.07 0.31 0.00 0.09 0.00 0.00 57.88 57.95 2jw2 h LEU 28 Cb 1.88 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.82 2jw2 h LEU 28 CO 0.03 -0.23 0.77 0.08 0.09 0.00 0.00 178.44 179.18 2jw2 h ARG 29 N -0.31 0.02 0.00 1.13 0.11 -1.68 1.30 114.38 114.95 2jw2 h ARG 29 Ca -0.00 -0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2jw2 h ARG 29 Cb 0.31 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 2jw2 h ARG 29 CO -0.11 0.01 -0.51 0.00 0.10 0.00 0.00 179.97 179.46 2jw2 h ALA 30 N 1.47 0.82 0.19 0.08 0.00 -1.17 -3.26 119.26 117.40 2jw2 h ALA 30 Ca 0.52 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.62 2jw2 h ALA 30 Cb 2.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.75 2jw2 h ALA 30 CO -0.02 0.63 -1.72 0.00 0.00 0.00 0.00 179.25 178.15 2jw2 h ALA 31 N 1.49 0.12 0.00 0.00 0.00 0.47 -3.48 119.26 117.86 2jw2 h ALA 31 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2jw2 h ALA 31 Cb 1.16 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jw2 h ALA 31 CO 0.07 0.98 0.00 0.41 0.00 0.00 0.00 179.25 180.71 2jw2 n GLY 32 N 1.85 0.41 2.41 0.00 0.00 0.48 -5.07 105.19 105.26 2jw2 n GLY 32 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2jw2 n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jw2 n PHE 33 N 0.00 0.62 0.20 1.61 3.72 -0.88 -4.92 117.46 117.80 2jw2 n PHE 33 Ca 0.00 -3.33 0.05 0.00 -0.05 0.00 0.00 57.45 54.12 2jw2 n PHE 33 Cb 0.00 -0.39 0.41 0.00 -0.94 0.00 0.00 39.48 38.56 2jw2 n PHE 33 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jw2 h PRO 34 N 3.00 0.00 0.00 -1.08 0.13 -1.82 -2.59 132.00 129.64 2jw2 h PRO 34 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2jw2 h PRO 34 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jw2 h PRO 34 CO 0.50 0.34 0.00 -0.56 -0.23 0.00 0.00 178.00 178.05 2jw2 h GLN 35 N 0.00 0.00 0.00 0.86 -0.00 -1.96 -3.03 115.11 110.97 2jw2 h GLN 35 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jw2 h GLN 35 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 2jw2 h GLN 35 CO 0.04 0.00 -0.00 -0.92 -0.00 0.00 0.00 178.83 177.95 2jw2 h TYR 36 N 0.00 -0.00 -1.21 0.06 5.03 -1.89 -3.34 116.97 115.62 2jw2 h TYR 36 Ca 0.00 -0.00 0.40 0.00 2.58 0.00 0.00 58.73 61.71 2jw2 h TYR 36 Cb 0.01 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 38.18 2jw2 h TYR 36 CO 0.00 -0.00 0.80 0.00 -1.32 0.00 0.00 178.16 177.64 2jw2 n ALA 37 N -2.17 1.19 -0.26 1.82 0.00 -1.15 0.25 120.51 120.19 2jw2 n ALA 37 Ca -0.00 0.67 -0.01 0.00 0.00 0.00 0.00 53.44 54.10 2jw2 n ALA 37 Cb 0.00 -0.87 0.11 0.00 0.00 0.00 0.00 19.45 18.69 2jw2 n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jw2 h GLN 38 N 0.00 0.78 -0.77 0.00 1.08 -1.66 -2.19 115.11 112.35 2jw2 h GLN 38 Ca 0.72 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.87 2jw2 h GLN 38 Cb 2.45 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 29.67 2jw2 h GLN 38 CO -0.31 0.51 0.46 -0.07 -0.95 0.00 0.00 178.83 178.48 2jw2 h LEU 39 N 0.80 0.92 -0.85 1.46 4.07 0.32 -2.82 115.31 119.21 2jw2 h LEU 39 Ca 0.32 -0.07 0.17 0.00 0.08 0.00 0.00 57.88 58.38 2jw2 h LEU 39 Cb 0.16 -0.23 -0.16 0.00 1.08 0.00 0.00 40.66 41.51 2jw2 h LEU 39 CO -0.17 0.72 -0.24 0.22 -1.08 0.00 0.00 178.44 177.89 2jw2 h TYR 40 N 1.05 -0.55 -1.23 1.13 3.20 -1.36 1.45 116.97 120.66 2jw2 h TYR 40 Ca 0.27 0.08 0.36 0.00 3.14 0.00 0.00 58.73 62.58 2jw2 h TYR 40 Cb -0.03 0.37 -0.07 0.00 1.54 0.00 0.00 36.73 38.54 2jw2 h TYR 40 CO -0.01 -0.37 0.87 0.93 -1.64 0.00 0.00 178.16 177.93 2jw2 h GLU 41 N -0.01 0.08 0.00 1.82 5.08 -1.53 1.70 114.58 121.72 2jw2 h GLU 41 Ca 0.39 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2jw2 h GLU 41 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2jw2 h GLU 41 CO -0.88 0.06 -0.78 -3.47 -1.00 0.00 0.00 179.01 172.94 2jw2 n ASP 42 N -4.29 0.71 0.00 1.42 2.03 0.48 -4.95 116.55 111.95 2jw2 n ASP 42 Ca 0.28 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2jw2 n ASP 42 Cb 1.25 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 42.29 2jw2 n ASP 42 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jw2 n SER 43 N -1.57 -2.76 -1.51 1.67 2.88 0.58 -4.92 113.62 107.99 2jw2 n SER 43 Ca 0.04 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.53 2jw2 n SER 43 Cb 0.35 -0.46 0.16 0.00 -0.75 0.00 0.00 64.21 63.51 2jw2 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jw2 n GLN 44 N -2.92 2.37 0.03 -1.46 1.13 -1.02 -4.27 117.38 111.24 2jw2 n GLN 44 Ca 0.00 -1.73 -0.17 0.00 -1.94 0.00 0.00 57.00 53.16 2jw2 n GLN 44 Cb 0.00 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.50 2jw2 n GLN 44 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2jw2 h PHE 45 N 1.31 0.93 -3.22 1.08 3.57 -1.87 -3.43 116.94 115.31 2jw2 h PHE 45 Ca 0.20 -0.47 -0.57 0.00 3.53 0.00 0.00 57.97 60.66 2jw2 h PHE 45 Cb 1.74 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.30 2jw2 h PHE 45 CO 0.77 1.30 0.95 -1.25 -2.23 0.00 0.00 178.31 177.86 2jw2 s PRO 46 N -3.44 3.90 0.26 6.41 0.04 -1.26 -4.73 135.00 136.18 2jw2 s PRO 46 Ca -0.09 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 61.90 2jw2 s PRO 46 Cb 0.08 -3.87 0.06 0.00 0.04 0.00 0.00 34.50 30.81 2jw2 s PRO 46 CO 0.90 -1.13 0.90 0.96 0.04 0.00 0.00 177.00 178.67 2jw2 s ILE 47 N 4.33 0.00 -0.84 0.56 -4.36 -1.26 -5.06 121.20 114.57 2jw2 s ILE 47 Ca 0.54 -0.79 -0.22 0.00 -0.26 0.00 0.00 60.65 59.92 2jw2 s ILE 47 Cb -0.15 -2.63 -0.18 0.00 1.25 0.00 0.00 42.46 40.75 2jw2 s ILE 47 CO 0.23 0.00 2.26 -3.20 0.24 0.00 0.00 174.94 174.47 2jw2 n ASN 48 N -1.07 1.06 0.01 4.36 4.05 -1.26 -4.78 115.26 117.63 2jw2 n ASN 48 Ca -0.06 -1.54 -0.02 0.00 0.45 0.00 0.00 54.58 53.42 2jw2 n ASN 48 Cb 0.60 -1.46 -0.01 0.00 1.23 0.00 0.00 39.78 40.13 2jw2 n ASN 48 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 2jw2 h ILE 49 N 7.38 0.00 -0.86 -1.44 2.04 -1.97 -2.09 117.51 120.57 2jw2 h ILE 49 Ca 0.01 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.21 2jw2 h ILE 49 Cb 1.02 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.94 2jw2 h ILE 49 CO 1.09 0.00 0.39 0.55 0.00 0.00 0.00 178.15 180.18 2jw2 n VAL 50 N -2.77 -0.36 0.21 1.67 3.14 -1.26 0.19 118.33 119.15 2jw2 n VAL 50 Ca -0.01 1.77 0.05 0.00 -2.96 0.00 0.00 64.34 63.19 2jw2 n VAL 50 Cb 0.05 -2.83 0.48 0.00 -1.06 0.00 0.00 33.84 30.48 2jw2 n VAL 50 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jw2 h ALA 51 N 1.72 1.65 0.14 1.55 0.00 -1.76 -3.11 119.26 119.45 2jw2 h ALA 51 Ca 0.70 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 55.14 2jw2 h ALA 51 Cb 1.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2jw2 h ALA 51 CO -0.69 0.26 -1.42 -0.39 0.00 0.00 0.00 179.25 177.01 2jw2 h VAL 52 N 0.03 1.07 0.00 0.00 -1.51 0.24 -3.23 116.25 112.85 2jw2 h VAL 52 Ca 0.00 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 2jw2 h VAL 52 Cb 0.35 2.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 2jw2 h VAL 52 CO 0.02 0.74 0.29 0.29 -1.23 0.00 0.00 177.57 177.69 2jw2 n LYS 53 N -3.87 0.05 -0.07 5.19 5.02 -0.72 0.54 118.16 124.31 2jw2 n LYS 53 Ca -0.23 0.45 -0.22 0.00 -2.02 0.00 0.00 58.31 56.29 2jw2 n LYS 53 Cb 0.94 -1.95 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 2jw2 n LYS 53 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jw2 n ASN 54 N -1.72 2.02 -0.01 4.39 5.03 -1.21 -4.21 115.26 119.55 2jw2 n ASN 54 Ca -0.00 0.16 -0.01 0.00 0.87 0.00 0.00 54.58 55.59 2jw2 n ASN 54 Cb 0.30 -0.75 -0.00 0.00 -1.02 0.00 0.00 39.78 38.31 2jw2 n ASN 54 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2jw2 n ASP 55 N -3.66 0.25 0.07 6.41 8.00 0.19 -4.43 116.55 123.38 2jw2 n ASP 55 Ca -0.39 0.11 0.19 0.00 0.71 0.00 0.00 54.79 55.42 2jw2 n ASP 55 Cb 0.95 -0.54 0.59 0.00 -0.02 0.00 0.00 41.12 42.10 2jw2 n ASP 55 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2jw2 h HIS 56 N -0.13 0.00 -3.36 1.24 3.86 -0.39 -3.36 115.15 113.00 2jw2 h HIS 56 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 2jw2 h HIS 56 Cb 0.11 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.24 2jw2 h HIS 56 CO -0.05 0.00 -0.69 0.34 0.86 0.00 0.00 177.93 178.39 2jw2 s ASP 57 N -4.32 0.32 0.00 2.45 -1.08 -0.90 -4.89 116.67 108.25 2jw2 s ASP 57 Ca -0.03 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 2jw2 s ASP 57 Cb 0.12 0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.60 2jw2 s ASP 57 CO 0.41 -0.17 0.00 0.33 0.52 0.00 0.00 175.17 176.26 2jw2 n PHE 58 N 4.55 0.00 -0.03 -5.34 7.35 -1.26 -3.56 117.46 119.17 2jw2 n PHE 58 Ca -0.20 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.47 2jw2 n PHE 58 Cb 0.50 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.35 2jw2 n PHE 58 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2jw2 n LEU 59 N 0.00 0.00 -4.12 -2.13 7.94 -1.26 -4.84 117.00 112.59 2jw2 n LEU 59 Ca 0.00 -0.05 -0.37 0.00 -1.11 0.00 0.00 56.01 54.48 2jw2 n LEU 59 Cb 0.00 -0.07 0.03 0.00 0.53 0.00 0.00 43.42 43.91 2jw2 n LEU 59 CO 0.00 -1.46 -1.01 -1.84 -1.11 0.00 0.00 177.39 171.97 2jw2 n GLU 60 N -1.60 0.00 0.27 1.96 0.28 -1.26 -4.76 120.64 115.54 2jw2 n GLU 60 Ca 0.01 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.17 2jw2 n GLU 60 Cb 0.03 -1.05 0.65 0.00 1.43 0.00 0.00 31.44 32.51 2jw2 n GLU 60 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2jw2 h LYS 61 N -0.62 0.00 0.00 3.44 1.79 -2.01 -2.31 116.57 116.85 2jw2 h LYS 61 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2jw2 h LYS 61 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2jw2 h LYS 61 CO 0.31 0.05 0.00 -0.40 -1.08 0.00 0.00 179.45 178.33 2jw2 n ASP 62 N -3.18 0.00 0.00 0.86 5.68 -1.26 -1.90 116.55 116.75 2jw2 n ASP 62 Ca 0.00 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 2jw2 n ASP 62 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2jw2 n ASP 62 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2jw2 n LEU 63 N -0.70 0.46 -0.08 -2.12 7.94 -0.87 -4.71 117.00 116.92 2jw2 n LEU 63 Ca 0.06 -0.53 -0.08 0.00 -1.11 0.00 0.00 56.01 54.36 2jw2 n LEU 63 Cb 0.03 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.94 2jw2 n LEU 63 CO 0.05 0.11 -0.34 0.58 -1.11 0.00 0.00 177.39 176.68 2jw2 h VAL 64 N 0.31 0.21 -0.38 1.96 2.07 -1.39 -3.30 116.25 115.72 2jw2 h VAL 64 Ca 0.00 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.33 2jw2 h VAL 64 Cb 0.16 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2jw2 h VAL 64 CO 0.00 0.07 0.06 -0.33 0.02 0.00 0.00 177.57 177.39 2jw2 h GLU 65 N -1.00 0.18 -0.59 1.57 4.39 -1.88 -0.92 114.58 116.33 2jw2 h GLU 65 Ca -0.07 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.74 2jw2 h GLU 65 Cb 0.63 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 2jw2 h GLU 65 CO -0.04 0.12 0.40 -1.35 -1.16 0.00 0.00 179.01 176.98 2jw2 h PRO 66 N 0.18 0.28 -0.65 2.33 0.11 -1.84 0.01 132.00 132.42 2jw2 h PRO 66 Ca 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2jw2 h PRO 66 Cb 0.23 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 2jw2 h PRO 66 CO -0.26 0.18 0.35 1.25 -0.21 0.00 0.00 178.00 179.32 2jw2 h LEU 67 N 0.28 0.79 -0.50 2.35 5.85 -1.24 0.21 115.31 123.05 2jw2 h LEU 67 Ca 0.28 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2jw2 h LEU 67 Cb 0.71 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jw2 h LEU 67 CO -0.06 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.68 2jw2 h ARG 69 N 0.00 0.00 0.20 0.00 2.47 -0.85 -3.00 114.38 113.20 2jw2 h ARG 69 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jw2 h ARG 69 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2jw2 h ARG 69 CO 0.00 0.34 -0.17 0.00 0.56 0.00 0.00 179.97 180.70 2jw2 h ARG 70 N -1.00 -0.37 0.20 0.04 2.47 -1.33 0.15 114.38 114.54 2jw2 h ARG 70 Ca -0.08 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2jw2 h ARG 70 Cb 0.64 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 2jw2 h ARG 70 CO -0.05 -0.25 -0.27 -0.07 0.56 0.00 0.00 179.97 179.89 2jw2 h LEU 71 N -0.39 -0.74 -2.03 3.04 3.38 -1.62 0.64 115.31 117.59 2jw2 h LEU 71 Ca -0.01 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2jw2 h LEU 71 Cb 0.35 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2jw2 h LEU 71 CO -0.02 -0.37 0.34 -1.13 0.09 0.00 0.00 178.44 177.34 2jw2 h ASN 72 N -0.53 0.00 0.24 -0.43 -0.73 -1.37 0.70 115.58 113.47 2jw2 h ASN 72 Ca 0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 2jw2 h ASN 72 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.11 2jw2 h ASN 72 CO -0.10 0.00 -0.11 0.74 -0.37 0.00 0.00 177.43 177.59 2jw2 h THR 73 N 0.00 0.00 -0.75 -3.57 2.02 0.88 -3.28 112.91 108.21 2jw2 h THR 73 Ca 0.20 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.86 2jw2 h THR 73 Cb 0.88 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2jw2 h THR 73 CO -0.00 0.00 0.49 -0.07 0.37 0.00 0.00 175.52 176.31 2jw2 h LEU 74 N -0.86 0.84 -1.62 2.58 3.38 -0.63 -1.24 115.31 117.76 2jw2 h LEU 74 Ca -0.03 -0.02 0.31 0.00 0.09 0.00 0.00 57.88 58.23 2jw2 h LEU 74 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2jw2 h LEU 74 CO 0.05 0.60 0.99 0.78 0.09 0.00 0.00 178.44 180.95 2jw2 h ASN 75 N 0.99 0.00 0.83 -0.43 4.21 0.29 2.42 115.58 123.89 2jw2 h ASN 75 Ca 0.28 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.59 2jw2 h ASN 75 Cb -0.08 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 2jw2 h ASN 75 CO -0.07 0.00 -1.27 0.50 -1.29 0.00 0.00 177.43 175.30 2jw2 h LYS 76 N 0.00 0.00 0.00 0.81 1.63 -1.28 -3.33 116.57 114.41 2jw2 h LYS 76 Ca 0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 2jw2 h LYS 76 Cb 2.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.11 2jw2 h LYS 76 CO -0.01 0.52 -0.92 0.00 -3.45 0.00 0.00 179.45 175.59 2jw2 n ALA 78 N -2.16 1.44 -0.29 0.00 0.00 0.32 -1.67 120.51 118.16 2jw2 n ALA 78 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 2jw2 n ALA 78 Cb 0.54 -1.31 0.23 0.00 0.00 0.00 0.00 19.45 18.91 2jw2 n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jw2 n SER 79 N -2.07 3.93 -4.21 0.00 2.88 -1.24 -4.88 113.62 108.03 2jw2 n SER 79 Ca 0.01 -2.72 -0.29 0.00 -1.33 0.00 0.00 58.87 54.54 2jw2 n SER 79 Cb 0.15 -0.65 0.21 0.00 -0.75 0.00 0.00 64.21 63.17 2jw2 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jw2 s MET 80 N -2.15 -0.33 0.00 -1.46 0.23 -0.67 -5.15 119.30 109.77 2jw2 s MET 80 Ca 0.36 0.11 0.00 0.00 -1.03 0.00 0.00 55.69 55.13 2jw2 s MET 80 Cb 0.28 -1.68 0.00 0.00 -1.53 0.00 0.00 34.83 31.90 2jw2 s MET 80 CO 0.09 -3.15 0.00 1.63 -2.03 0.00 0.00 175.02 171.56