#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jw2 s HIS 2 N 0.00 3.22 0.05 2.03 0.09 -1.26 -5.08 115.29 114.35 2jw2 s HIS 2 Ca 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 55.06 55.10 2jw2 s HIS 2 Cb 0.00 -2.44 -0.05 0.00 -0.00 0.00 0.00 32.58 30.09 2jw2 s HIS 2 CO 0.00 -0.23 0.27 -1.01 -0.00 0.00 0.00 174.74 173.78 2jw2 s HIS 3 N 1.81 3.53 0.00 1.40 4.02 -1.26 -5.05 115.29 119.74 2jw2 s HIS 3 Ca 0.08 0.46 0.00 0.00 1.02 0.00 0.00 55.06 56.63 2jw2 s HIS 3 Cb -0.16 -1.92 0.00 0.00 -1.02 0.00 0.00 32.58 29.48 2jw2 s HIS 3 CO 0.11 0.57 0.00 -2.39 1.02 0.00 0.00 174.74 174.05 2jw2 n HIS 4 N 0.64 0.00 -2.37 1.40 -0.00 -1.26 -5.10 115.22 108.53 2jw2 n HIS 4 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.64 2jw2 n HIS 4 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.50 2jw2 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jw2 n HIS 5 N -1.88 -3.46 0.00 -1.40 -0.00 -1.26 -5.00 115.22 102.22 2jw2 n HIS 5 Ca 0.00 2.05 0.00 0.00 -0.00 0.00 0.00 57.72 59.77 2jw2 n HIS 5 Cb 0.00 -3.08 0.00 0.00 -0.00 0.00 0.00 29.99 26.91 2jw2 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jw2 n HIS 6 N 1.91 0.00 -1.31 1.57 -0.00 -1.26 -5.15 115.22 110.98 2jw2 n HIS 6 Ca -0.07 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.80 2jw2 n HIS 6 Cb 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.02 2jw2 n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jw2 n HIS 7 N -1.12 -3.27 -3.08 4.41 -0.00 -1.26 -5.00 115.22 105.89 2jw2 n HIS 7 Ca 0.00 1.80 0.04 0.00 -0.00 0.00 0.00 57.72 59.56 2jw2 n HIS 7 Cb 0.19 -2.98 0.00 0.00 -0.00 0.00 0.00 29.99 27.20 2jw2 n HIS 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jw2 s SER 8 N -6.88 -0.60 -0.25 0.41 0.15 -1.26 -5.16 113.70 100.11 2jw2 s SER 8 Ca 0.00 -0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.47 2jw2 s SER 8 Cb 0.00 1.23 0.07 0.00 -1.71 0.00 0.00 66.02 65.62 2jw2 s SER 8 CO 0.00 -0.10 0.63 -0.94 1.20 0.00 0.00 173.24 174.03 2jw2 s SER 9 N 2.71 -0.79 0.00 5.45 1.04 -1.26 -5.12 113.70 115.72 2jw2 s SER 9 Ca 0.23 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2jw2 s SER 9 Cb -0.02 1.26 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2jw2 s SER 9 CO -0.21 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2jw2 n GLY 10 N 3.79 -0.41 3.90 7.32 0.00 -1.26 -5.18 105.19 113.36 2jw2 n GLY 10 Ca -0.19 0.75 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 2jw2 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jw2 s LEU 11 N 0.00 4.09 -0.46 0.99 1.43 -1.26 -5.07 118.68 118.41 2jw2 s LEU 11 Ca 0.00 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2jw2 s LEU 11 Cb 0.00 -2.64 0.27 0.00 0.03 0.00 0.00 46.19 43.85 2jw2 s LEU 11 CO 0.00 -0.03 0.64 1.33 0.23 0.00 0.00 176.35 178.51 2jw2 n VAL 12 N -1.15 0.35 0.00 -1.59 0.24 -1.26 -5.02 118.33 109.91 2jw2 n VAL 12 Ca -0.08 -4.50 0.00 0.00 -2.04 0.00 0.00 64.34 57.72 2jw2 n VAL 12 Cb 0.57 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2jw2 n VAL 12 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jw2 n PRO 13 N 0.96 0.00 -3.59 7.34 -0.04 -1.26 -5.09 135.00 133.32 2jw2 n PRO 13 Ca 0.24 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2jw2 n PRO 13 Cb 0.52 -0.11 -0.05 0.00 -0.04 0.00 0.00 33.50 33.82 2jw2 n PRO 13 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jw2 s ARG 14 N -0.01 0.44 0.00 0.54 0.52 -1.26 -5.05 118.95 114.13 2jw2 s ARG 14 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 2jw2 s ARG 14 Cb 0.00 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.68 2jw2 s ARG 14 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.59 2jw2 n GLY 15 N 0.64 1.05 0.07 -3.53 0.00 -1.26 -4.87 105.19 97.30 2jw2 n GLY 15 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2jw2 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jw2 n SER 16 N 0.00 0.12 0.27 1.61 3.41 -1.26 -3.97 113.62 113.81 2jw2 n SER 16 Ca 0.00 -1.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.03 2jw2 n SER 16 Cb 0.00 -0.06 0.55 0.00 -0.26 0.00 0.00 64.21 64.44 2jw2 n SER 16 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2jw2 h GLN 17 N 0.02 0.00 0.19 4.33 -0.00 -1.97 -1.21 115.11 116.47 2jw2 h GLN 17 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2jw2 h GLN 17 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 2jw2 h GLN 17 CO 0.00 0.00 -0.09 0.93 -0.00 0.00 0.00 178.83 179.67 2jw2 h GLU 18 N 0.00 -0.24 -0.81 0.06 4.39 -1.99 -1.29 114.58 114.70 2jw2 h GLU 18 Ca 0.06 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.93 2jw2 h GLU 18 Cb 1.25 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 2jw2 h GLU 18 CO -0.00 -0.16 0.54 0.82 -1.16 0.00 0.00 179.01 179.04 2jw2 h ILE 19 N -0.49 0.77 -0.61 3.13 2.04 -1.64 0.22 117.51 120.93 2jw2 h ILE 19 Ca -0.03 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 2jw2 h ILE 19 Cb 0.19 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2jw2 h ILE 19 CO 0.04 0.08 0.04 -0.33 0.00 0.00 0.00 178.15 177.98 2jw2 h GLU 20 N 0.44 1.04 0.77 2.37 4.39 -1.31 -1.01 114.58 121.27 2jw2 h GLU 20 Ca 0.40 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2jw2 h GLU 20 Cb 0.92 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2jw2 h GLU 20 CO -0.14 1.00 -0.37 0.00 -1.16 0.00 0.00 179.01 178.34 2jw2 h ALA 21 N 1.06 -1.14 -1.00 3.43 0.00 0.64 1.26 119.26 123.52 2jw2 h ALA 21 Ca 0.18 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2jw2 h ALA 21 Cb 0.50 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2jw2 h ALA 21 CO 0.02 -1.06 0.63 -0.22 0.00 0.00 0.00 179.25 178.62 2jw2 h LYS 22 N -1.15 0.91 0.07 0.00 1.63 -1.39 -1.66 116.57 114.97 2jw2 h LYS 22 Ca -0.11 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2jw2 h LYS 22 Cb 0.79 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2jw2 h LYS 22 CO 0.17 0.60 -0.03 0.93 -3.45 0.00 0.00 179.45 177.67 2jw2 h GLU 23 N 0.94 -0.09 -0.96 1.90 4.39 -1.08 -1.80 114.58 117.89 2jw2 h GLU 23 Ca 0.51 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.40 2jw2 h GLU 23 Cb 0.58 0.02 -0.18 0.00 -0.10 0.00 0.00 28.75 29.07 2jw2 h GLU 23 CO -0.28 0.37 -0.26 0.00 -1.16 0.00 0.00 179.01 177.68 2jw2 h ALA 24 N 0.29 0.56 -0.07 3.43 0.00 0.25 2.84 119.26 126.57 2jw2 h ALA 24 Ca -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 2jw2 h ALA 24 Cb 0.50 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jw2 h ALA 24 CO 0.02 -0.42 -0.78 0.00 0.00 0.00 0.00 179.25 178.07 2jw2 n ASP 26 N -3.82 0.80 -0.07 0.00 2.03 0.12 -3.70 116.55 111.91 2jw2 n ASP 26 Ca -0.05 0.58 -0.22 0.00 0.52 0.00 0.00 54.79 55.62 2jw2 n ASP 26 Cb 0.74 -0.79 -0.12 0.00 -0.72 0.00 0.00 41.12 40.22 2jw2 n ASP 26 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2jw2 n TRP 27 N -2.26 0.73 0.20 -0.67 -0.00 0.91 -3.97 117.44 112.38 2jw2 n TRP 27 Ca 0.05 0.21 0.13 0.00 -0.00 0.00 0.00 57.50 57.90 2jw2 n TRP 27 Cb 0.42 -1.09 0.48 0.00 -0.00 0.00 0.00 31.31 31.12 2jw2 n TRP 27 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2jw2 h LEU 28 N -0.37 0.00 0.00 5.87 3.38 -1.04 2.18 115.31 125.33 2jw2 h LEU 28 Ca -0.48 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.24 2jw2 h LEU 28 Cb 1.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 2jw2 h LEU 28 CO -0.10 0.00 -1.44 0.03 0.09 0.00 0.00 178.44 177.02 2jw2 h ARG 29 N 0.00 0.00 0.00 1.13 3.08 -1.71 0.06 114.38 116.94 2jw2 h ARG 29 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2jw2 h ARG 29 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2jw2 h ARG 29 CO -0.00 0.57 -0.02 0.00 -1.07 0.00 0.00 179.97 179.45 2jw2 n ALA 30 N -2.47 2.36 0.04 0.04 0.00 0.72 -3.04 120.51 118.16 2jw2 n ALA 30 Ca -0.11 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.28 2jw2 n ALA 30 Cb 0.98 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 2jw2 n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jw2 n ALA 31 N -1.54 2.25 0.00 0.00 0.00 -0.29 -4.96 120.51 115.97 2jw2 n ALA 31 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2jw2 n ALA 31 Cb 0.35 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2jw2 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jw2 n GLY 32 N 1.33 1.19 2.40 0.00 0.00 -1.17 -5.04 105.19 103.91 2jw2 n GLY 32 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.07 2.19 0.75 1.61 3.72 -0.02 -4.90 117.46 119.74 2jw2 n PHE 33 Ca 0.00 -3.93 0.12 0.00 -0.05 0.00 0.00 57.45 53.59 2jw2 n PHE 33 Cb 0.00 -0.47 0.49 0.00 -0.94 0.00 0.00 39.48 38.55 2jw2 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jw2 n PRO 34 N 0.82 0.05 0.00 -1.08 -0.04 -1.03 -3.26 135.00 130.46 2jw2 n PRO 34 Ca 0.27 0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2jw2 n PRO 34 Cb 0.47 -1.57 0.14 0.00 -0.04 0.00 0.00 33.50 32.49 2jw2 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jw2 n GLN 35 N -1.66 0.03 -0.02 0.54 -0.00 -1.26 -3.10 117.38 111.91 2jw2 n GLN 35 Ca 0.05 0.34 -0.01 0.00 -0.00 0.00 0.00 57.00 57.38 2jw2 n GLN 35 Cb 0.29 -1.50 -0.00 0.00 -0.00 0.00 0.00 30.24 29.03 2jw2 n GLN 35 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 2jw2 h TYR 36 N 0.00 0.00 -0.91 2.61 0.05 -1.91 -3.38 116.97 113.43 2jw2 h TYR 36 Ca 0.00 0.00 0.36 0.00 0.05 0.00 0.00 58.73 59.14 2jw2 h TYR 36 Cb 0.09 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.69 2jw2 h TYR 36 CO 0.00 0.00 0.52 0.00 -1.05 0.00 0.00 178.16 177.63 2jw2 n ALA 37 N -2.51 0.93 -0.29 3.88 0.00 -1.19 0.19 120.51 121.52 2jw2 n ALA 37 Ca -0.01 0.82 0.12 0.00 0.00 0.00 0.00 53.44 54.36 2jw2 n ALA 37 Cb 0.05 -0.86 0.28 0.00 0.00 0.00 0.00 19.45 18.92 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 0.26 -0.32 0.00 1.08 -1.71 0.98 115.11 115.40 2jw2 h GLN 38 Ca 0.71 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.99 2jw2 h GLN 38 Cb 1.99 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.35 2jw2 h GLN 38 CO -0.58 0.17 0.25 -0.07 -0.95 0.00 0.00 178.83 177.66 2jw2 h LEU 39 N 0.27 0.00 0.21 1.46 3.38 0.20 -2.62 115.31 118.21 2jw2 h LEU 39 Ca 0.54 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.51 2jw2 h LEU 39 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2jw2 h LEU 39 CO -0.60 0.00 -0.52 0.22 0.09 0.00 0.00 178.44 177.64 2jw2 h TYR 40 N 0.00 -1.48 -1.50 1.13 3.20 0.94 0.94 116.97 120.20 2jw2 h TYR 40 Ca 0.15 0.03 0.46 0.00 3.14 0.00 0.00 58.73 62.51 2jw2 h TYR 40 Cb 0.65 0.62 -0.10 0.00 1.54 0.00 0.00 36.73 39.43 2jw2 h TYR 40 CO 0.00 -0.61 1.02 0.93 -1.64 0.00 0.00 178.16 177.86 2jw2 h GLU 41 N -0.81 0.06 0.00 1.82 4.39 -1.54 2.20 114.58 120.70 2jw2 h GLU 41 Ca -0.02 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 2jw2 h GLU 41 Cb 0.78 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2jw2 h GLU 41 CO -0.24 0.04 -1.30 -3.47 -1.16 0.00 0.00 179.01 172.88 2jw2 n ASP 42 N -4.38 0.80 0.00 1.42 -0.08 0.08 -4.95 116.55 109.44 2jw2 n ASP 42 Ca 0.37 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 2jw2 n ASP 42 Cb 1.56 0.37 0.00 0.00 2.34 0.00 0.00 41.12 45.40 2jw2 n ASP 42 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jw2 n SER 43 N -2.78 -2.19 -0.93 1.67 7.64 0.74 -4.88 113.62 112.90 2jw2 n SER 43 Ca -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 2jw2 n SER 43 Cb 0.72 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 63.44 2jw2 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jw2 n GLN 44 N -2.51 1.39 -0.23 1.43 1.13 -1.03 -4.21 117.38 113.36 2jw2 n GLN 44 Ca 0.00 -0.46 -0.06 0.00 -1.94 0.00 0.00 57.00 54.54 2jw2 n GLN 44 Cb 0.02 -1.41 0.04 0.00 0.11 0.00 0.00 30.24 29.01 2jw2 n GLN 44 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 2jw2 h PHE 45 N 0.38 0.92 -2.29 1.08 -1.00 -1.90 -3.41 116.94 110.71 2jw2 h PHE 45 Ca 0.04 -0.03 -0.56 0.00 2.81 0.00 0.00 57.97 60.23 2jw2 h PHE 45 Cb 0.98 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.26 2jw2 h PHE 45 CO 0.20 0.67 1.33 -2.14 -1.61 0.00 0.00 178.31 176.76 2jw2 s PRO 46 N -5.78 3.61 0.17 1.51 0.02 -1.26 -4.68 135.00 128.59 2jw2 s PRO 46 Ca -0.13 2.15 -0.22 0.00 0.02 0.00 0.00 61.00 62.81 2jw2 s PRO 46 Cb 0.14 -4.23 0.08 0.00 0.02 0.00 0.00 34.50 30.50 2jw2 s PRO 46 CO 0.79 -1.55 1.06 0.96 -0.33 0.00 0.00 177.00 177.93 2jw2 s ILE 47 N 6.35 0.00 -0.70 2.83 -4.36 -1.26 -5.08 121.20 118.98 2jw2 s ILE 47 Ca 0.90 -0.55 -0.26 0.00 -0.26 0.00 0.00 60.65 60.49 2jw2 s ILE 47 Cb -0.35 -2.94 -0.09 0.00 1.25 0.00 0.00 42.46 40.34 2jw2 s ILE 47 CO 0.36 0.00 2.26 0.54 0.24 0.00 0.00 174.94 178.34 2jw2 s ASN 48 N -3.47 4.44 0.05 4.36 4.22 -1.26 -4.82 114.94 118.46 2jw2 s ASN 48 Ca 0.23 0.26 -0.21 0.00 -2.14 0.00 0.00 52.86 51.01 2jw2 s ASN 48 Cb -0.03 -2.53 -0.10 0.00 1.28 0.00 0.00 41.25 39.87 2jw2 s ASN 48 CO 0.05 -3.20 1.33 0.40 -2.04 0.00 0.00 177.10 173.64 2jw2 h ILE 49 N 7.51 0.00 -0.85 0.54 2.04 -1.98 -2.44 117.51 122.33 2jw2 h ILE 49 Ca -0.09 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.04 2jw2 h ILE 49 Cb 1.10 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.02 2jw2 h ILE 49 CO 1.11 0.00 0.15 0.52 0.00 0.00 0.00 178.15 179.93 2jw2 n VAL 50 N -4.19 -0.36 0.26 1.67 0.31 -1.26 0.19 118.33 114.95 2jw2 n VAL 50 Ca -0.07 1.84 0.12 0.00 -0.01 0.00 0.00 64.34 66.22 2jw2 n VAL 50 Cb 0.27 -2.77 0.76 0.00 -0.91 0.00 0.00 33.84 31.19 2jw2 n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jw2 h ALA 51 N 1.71 1.83 0.13 3.52 0.00 -1.83 -0.12 119.26 124.50 2jw2 h ALA 51 Ca 0.58 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.14 2jw2 h ALA 51 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jw2 h ALA 51 CO -0.76 -0.04 -1.84 -0.39 0.00 0.00 0.00 179.25 176.21 2jw2 h VAL 52 N 0.00 0.75 -0.52 0.00 -1.51 0.21 -2.80 116.25 112.39 2jw2 h VAL 52 Ca 0.02 -2.38 -0.03 0.00 -1.23 0.00 0.00 66.70 63.08 2jw2 h VAL 52 Cb 0.07 2.57 -0.03 0.00 -2.13 0.00 0.00 31.29 31.77 2jw2 h VAL 52 CO -0.00 0.84 0.19 0.11 -1.23 0.00 0.00 177.57 177.48 2jw2 h LYS 53 N -0.02 0.75 0.22 5.19 1.57 -1.07 -2.84 116.57 120.37 2jw2 h LYS 53 Ca -0.39 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 2jw2 h LYS 53 Cb 1.98 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.16 2jw2 h LYS 53 CO 0.09 0.63 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.59 2jw2 h ASN 54 N 0.74 -0.25 -0.49 0.86 -0.26 -1.16 -0.34 115.58 114.69 2jw2 h ASN 54 Ca 0.18 -0.11 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 2jw2 h ASN 54 Cb 0.17 0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.44 2jw2 h ASN 54 CO -0.01 0.26 -0.29 0.47 -1.06 0.00 0.00 177.43 176.80 2jw2 n ASP 55 N -4.96 -0.51 -0.04 5.81 9.92 -1.06 -3.84 116.55 121.87 2jw2 n ASP 55 Ca -0.05 1.26 -0.03 0.00 -0.53 0.00 0.00 54.79 55.44 2jw2 n ASP 55 Cb 0.18 -0.31 -0.01 0.00 -0.64 0.00 0.00 41.12 40.34 2jw2 n ASP 55 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2jw2 n HIS 56 N -4.11 0.32 0.00 1.24 8.25 -1.08 -4.92 115.22 114.92 2jw2 n HIS 56 Ca 0.01 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2jw2 n HIS 56 Cb 0.13 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2jw2 n HIS 56 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2jw2 n ASP 57 N -3.36 0.00 -0.44 0.41 2.03 -0.14 -4.75 116.55 110.29 2jw2 n ASP 57 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2jw2 n ASP 57 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2jw2 n ASP 57 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jw2 n PHE 58 N 0.00 -1.19 -0.05 -0.67 3.72 -1.26 -4.60 117.46 113.41 2jw2 n PHE 58 Ca 0.00 0.63 -0.01 0.00 -0.05 0.00 0.00 57.45 58.01 2jw2 n PHE 58 Cb 0.00 -1.83 -0.01 0.00 -0.94 0.00 0.00 39.48 36.69 2jw2 n PHE 58 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jw2 n LEU 59 N -0.66 -0.12 -4.51 4.37 4.32 -1.26 -4.05 117.00 115.08 2jw2 n LEU 59 Ca 0.00 1.00 -0.31 0.00 -0.02 0.00 0.00 56.01 56.68 2jw2 n LEU 59 Cb 0.00 -0.42 -0.16 0.00 -1.62 0.00 0.00 43.42 41.22 2jw2 n LEU 59 CO 0.00 -0.57 2.07 -0.62 -1.22 0.00 0.00 177.39 177.05 2jw2 n GLU 60 N -3.20 0.17 0.04 3.23 1.02 -1.26 -4.71 120.64 115.93 2jw2 n GLU 60 Ca 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.03 2jw2 n GLU 60 Cb 0.03 -1.75 0.21 0.00 -0.02 0.00 0.00 31.44 29.92 2jw2 n GLU 60 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jw2 h LYS 61 N 12.59 0.42 0.00 3.49 1.63 -1.89 -1.87 116.57 130.94 2jw2 h LYS 61 Ca -0.04 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 2jw2 h LYS 61 Cb 1.21 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2jw2 h LYS 61 CO 1.41 0.67 0.00 -0.40 -3.45 0.00 0.00 179.45 177.68 2jw2 n ASP 62 N -4.11 0.00 -0.63 4.20 5.68 -1.26 -0.64 116.55 119.79 2jw2 n ASP 62 Ca -0.01 0.45 0.11 0.00 -0.50 0.00 0.00 54.79 54.84 2jw2 n ASP 62 Cb 0.41 -0.46 0.03 0.00 -1.14 0.00 0.00 41.12 39.96 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 -1.46 2.29 0.08 -2.12 7.94 -0.71 -4.26 117.00 118.76 2jw2 n LEU 63 Ca 0.02 -0.85 -0.20 0.00 -1.11 0.00 0.00 56.01 53.88 2jw2 n LEU 63 Cb 0.08 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 2jw2 n LEU 63 CO 0.07 0.41 -0.37 0.58 -1.11 0.00 0.00 177.39 176.97 2jw2 h VAL 64 N 3.08 1.12 0.45 1.96 2.07 -0.89 -3.15 116.25 120.88 2jw2 h VAL 64 Ca 0.00 -2.71 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 2jw2 h VAL 64 Cb 0.80 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2jw2 h VAL 64 CO 0.00 0.83 -0.31 -0.33 0.02 0.00 0.00 177.57 177.78 2jw2 h GLU 65 N 0.09 -0.69 -0.68 1.57 4.39 -1.74 -2.53 114.58 114.99 2jw2 h GLU 65 Ca -0.27 0.05 0.16 0.00 0.34 0.00 0.00 59.36 59.63 2jw2 h GLU 65 Cb 2.06 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.83 2jw2 h GLU 65 CO 0.18 -0.46 0.47 -1.00 -1.16 0.00 0.00 179.01 177.04 2jw2 h PRO 66 N -0.72 0.24 -0.90 2.33 0.13 -1.78 -0.72 132.00 130.59 2jw2 h PRO 66 Ca -0.06 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.13 2jw2 h PRO 66 Cb 0.59 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.60 2jw2 h PRO 66 CO 0.04 0.16 0.56 1.25 -0.23 0.00 0.00 178.00 179.78 2jw2 h LEU 67 N 0.25 0.87 -1.28 1.56 5.85 -1.42 0.24 115.31 121.39 2jw2 h LEU 67 Ca 0.33 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 2jw2 h LEU 67 Cb 0.95 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2jw2 h LEU 67 CO -0.07 0.54 -0.35 0.00 -0.34 0.00 0.00 178.44 178.22 2jw2 h ARG 69 N 0.00 0.36 0.21 0.00 2.43 -0.88 -2.19 114.38 114.30 2jw2 h ARG 69 Ca -0.00 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2jw2 h ARG 69 Cb 0.67 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2jw2 h ARG 69 CO 0.05 0.68 -0.10 0.00 -1.51 0.00 0.00 179.97 179.08 2jw2 h ARG 70 N 0.03 -0.27 -0.87 0.20 2.47 -1.17 -1.58 114.38 113.20 2jw2 h ARG 70 Ca 0.04 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 58.94 2jw2 h ARG 70 Cb 0.57 0.06 -0.16 0.00 -1.65 0.00 0.00 29.97 28.79 2jw2 h ARG 70 CO 0.03 -0.18 -0.25 -0.07 0.56 0.00 0.00 179.97 180.05 2jw2 h LEU 71 N -0.35 -0.94 -1.30 3.04 3.38 -1.55 1.31 115.31 118.91 2jw2 h LEU 71 Ca -0.03 0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2jw2 h LEU 71 Cb 0.21 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2jw2 h LEU 71 CO 0.05 -0.29 0.54 -1.13 0.09 0.00 0.00 178.44 177.69 2jw2 h ASN 72 N -0.01 0.71 0.42 -0.43 -0.73 -1.43 0.49 115.58 114.60 2jw2 h ASN 72 Ca 0.40 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.56 2jw2 h ASN 72 Cb 0.63 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.09 2jw2 h ASN 72 CO -0.90 0.43 -0.20 0.74 -0.37 0.00 0.00 177.43 177.13 2jw2 h THR 73 N 0.79 0.00 -0.93 -3.57 2.02 0.26 -3.08 112.91 108.40 2jw2 h THR 73 Ca 0.38 -0.55 0.14 0.00 0.77 0.00 0.00 66.41 67.15 2jw2 h THR 73 Cb 0.41 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 2jw2 h THR 73 CO -0.15 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.27 2jw2 h LEU 74 N -1.11 0.74 -2.28 2.58 3.38 -0.41 0.46 115.31 118.66 2jw2 h LEU 74 Ca -0.06 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2jw2 h LEU 74 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jw2 h LEU 74 CO 0.09 0.37 0.18 0.78 0.09 0.00 0.00 178.44 179.96 2jw2 h ASN 75 N 0.78 0.00 0.03 -0.43 2.35 -0.06 1.51 115.58 119.77 2jw2 h ASN 75 Ca 0.47 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.90 2jw2 h ASN 75 Cb 0.66 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 2jw2 h ASN 75 CO -0.23 0.00 -1.77 0.29 -1.65 0.00 0.00 177.43 174.07 2jw2 n LYS 76 N -3.74 0.63 0.26 0.81 5.02 0.14 -4.20 118.16 117.07 2jw2 n LYS 76 Ca 0.01 0.41 0.15 0.00 -2.02 0.00 0.00 58.31 56.85 2jw2 n LYS 76 Cb 0.29 -1.68 0.60 0.00 -0.02 0.00 0.00 35.03 34.23 2jw2 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jw2 n ALA 78 N -2.14 1.86 1.11 0.00 0.00 0.51 -1.85 120.51 120.00 2jw2 n ALA 78 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.44 2jw2 n ALA 78 Cb 0.35 -1.20 0.20 0.00 0.00 0.00 0.00 19.45 18.80 2jw2 n ALA 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jw2 n SER 79 N -1.11 1.57 0.00 0.00 3.41 -0.97 -4.42 113.62 112.10 2jw2 n SER 79 Ca 0.08 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2jw2 n SER 79 Cb 0.06 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2jw2 n SER 79 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2jw2 n MET 80 N 0.33 0.00 0.00 4.33 2.81 -0.77 -5.17 117.12 118.64 2jw2 n MET 80 Ca 0.11 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.14 2jw2 n MET 80 Cb 0.26 -0.25 0.42 0.00 -0.71 0.00 0.00 33.22 32.95 2jw2 n MET 80 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65