#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 -0.81 -2.68 3.17 8.25 -1.26 -5.09 115.22 116.80 2jw2 n HIS 2 Ca 0.00 0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 57.22 2jw2 n HIS 2 Cb 0.00 0.48 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 2jw2 n HIS 2 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jw2 s HIS 3 N -2.00 3.74 0.00 4.41 4.02 -1.26 -4.90 115.29 119.30 2jw2 s HIS 3 Ca 0.00 1.80 0.00 0.00 1.02 0.00 0.00 55.06 57.88 2jw2 s HIS 3 Cb 0.00 -3.04 0.00 0.00 -1.02 0.00 0.00 32.58 28.52 2jw2 s HIS 3 CO 0.00 0.07 0.43 1.58 1.02 0.00 0.00 174.74 177.84 2jw2 n HIS 4 N 0.96 0.00 -3.88 1.40 -0.00 -1.26 -5.13 115.22 107.30 2jw2 n HIS 4 Ca 0.00 -0.04 -0.34 0.00 -0.00 0.00 0.00 57.72 57.34 2jw2 n HIS 4 Cb 0.48 0.25 -0.05 0.00 -0.00 0.00 0.00 29.99 30.67 2jw2 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jw2 s HIS 5 N 0.00 3.56 0.17 1.57 0.09 -1.26 -4.93 115.29 114.49 2jw2 s HIS 5 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 55.06 55.47 2jw2 s HIS 5 Cb 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 32.58 30.72 2jw2 s HIS 5 CO 0.00 0.66 0.00 1.58 -0.00 0.00 0.00 174.74 176.98 2jw2 n HIS 6 N 1.11 -3.10 -3.22 1.40 -0.00 -1.26 -5.10 115.22 105.05 2jw2 n HIS 6 Ca -0.12 0.59 -0.13 0.00 -0.00 0.00 0.00 57.72 58.06 2jw2 n HIS 6 Cb 0.53 1.74 0.01 0.00 -0.00 0.00 0.00 29.99 32.28 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 -2.79 -1.41 -0.85 1.57 -0.00 -1.26 -4.88 115.22 105.60 2jw2 n HIS 7 Ca 0.00 0.60 -0.30 0.00 -0.00 0.00 0.00 57.72 58.01 2jw2 n HIS 7 Cb 0.00 -1.70 0.16 0.00 -0.00 0.00 0.00 29.99 28.46 2jw2 n HIS 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jw2 s SER 8 N -1.29 2.96 -0.29 0.41 0.01 -1.26 -5.05 113.70 109.19 2jw2 s SER 8 Ca 0.13 1.91 -0.16 0.00 1.31 0.00 0.00 55.95 59.14 2jw2 s SER 8 Cb -0.02 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 63.90 2jw2 s SER 8 CO 0.39 -3.03 0.98 -0.55 0.41 0.00 0.00 173.24 171.44 2jw2 s SER 9 N -2.89 -0.51 -0.36 2.44 0.15 -1.26 -5.09 113.70 106.17 2jw2 s SER 9 Ca 0.65 0.80 0.02 0.00 0.70 0.00 0.00 55.95 58.13 2jw2 s SER 9 Cb -0.21 1.26 0.30 0.00 -1.71 0.00 0.00 66.02 65.65 2jw2 s SER 9 CO 0.59 -0.13 1.25 0.61 1.20 0.00 0.00 173.24 176.76 2jw2 n GLY 10 N 3.84 -1.14 3.83 9.45 0.00 -1.26 -5.16 105.19 114.75 2jw2 n GLY 10 Ca -0.18 0.72 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.89 3.91 -0.48 0.99 1.02 -1.26 -5.03 118.68 116.93 2jw2 s LEU 11 Ca 0.24 1.60 0.06 0.00 0.02 0.00 0.00 54.13 56.05 2jw2 s LEU 11 Cb 0.26 -4.46 0.21 0.00 0.02 0.00 0.00 46.19 42.22 2jw2 s LEU 11 CO -0.14 -0.37 0.48 1.33 0.02 0.00 0.00 176.35 177.66 2jw2 n VAL 12 N -0.76 -0.09 -1.62 -1.59 0.24 -1.26 -5.12 118.33 108.13 2jw2 n VAL 12 Ca 0.06 -4.09 -0.44 0.00 -2.04 0.00 0.00 64.34 57.83 2jw2 n VAL 12 Cb 0.54 -1.90 -0.01 0.00 -1.47 0.00 0.00 33.84 31.00 2jw2 n VAL 12 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2jw2 n PRO 13 N 1.97 1.55 -0.66 7.34 -0.02 -1.26 -4.95 135.00 138.97 2jw2 n PRO 13 Ca 0.26 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.99 2jw2 n PRO 13 Cb 0.46 -1.97 0.25 0.00 -0.02 0.00 0.00 33.50 32.22 2jw2 n PRO 13 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jw2 s ARG 14 N -1.65 -1.14 0.00 -0.52 0.52 -1.26 -4.69 118.95 110.21 2jw2 s ARG 14 Ca 0.58 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 2jw2 s ARG 14 Cb -0.66 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.26 2jw2 s ARG 14 CO 0.61 -3.80 0.00 0.41 0.02 0.00 0.00 175.30 172.53 2jw2 n GLY 15 N 0.46 1.41 0.00 -3.53 0.00 -1.26 -4.84 105.19 97.44 2jw2 n GLY 15 Ca 0.05 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.00 1.61 3.41 -1.26 -3.59 113.62 113.78 2jw2 n SER 16 Ca 0.00 -0.91 0.23 0.00 -0.26 0.00 0.00 58.87 57.93 2jw2 n SER 16 Cb 0.00 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 2jw2 n SER 16 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jw2 h GLN 17 N 0.00 0.00 0.01 4.33 1.08 -1.89 -2.36 115.11 116.29 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 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2jw2 h GLN 17 CO 0.00 0.00 -0.01 0.93 -0.95 0.00 0.00 178.83 178.80 2jw2 h GLU 18 N 0.00 -0.02 -1.02 1.46 4.39 -1.99 0.41 114.58 117.80 2jw2 h GLU 18 Ca 0.28 0.00 0.33 0.00 0.34 0.00 0.00 59.36 60.31 2jw2 h GLU 18 Cb 1.54 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.04 2jw2 h GLU 18 CO -0.00 -0.01 0.59 0.82 -1.16 0.00 0.00 179.01 179.24 2jw2 h ILE 19 N -0.02 0.30 -0.24 3.13 2.04 -1.75 0.58 117.51 121.53 2jw2 h ILE 19 Ca -0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2jw2 h ILE 19 Cb 0.02 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 2jw2 h ILE 19 CO 0.00 0.06 0.06 -0.33 0.00 0.00 0.00 178.15 177.93 2jw2 h GLU 20 N 0.31 0.39 0.16 2.37 3.07 -1.34 -1.69 114.58 117.86 2jw2 h GLU 20 Ca 0.74 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.51 2jw2 h GLU 20 Cb 1.72 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.56 2jw2 h GLU 20 CO -0.59 0.50 -0.23 0.00 -1.40 0.00 0.00 179.01 177.30 2jw2 h ALA 21 N 0.87 -0.42 -0.44 3.43 0.00 0.46 0.65 119.26 123.82 2jw2 h ALA 21 Ca 0.08 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jw2 h ALA 21 Cb 0.29 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2jw2 h ALA 21 CO 0.00 -0.77 0.08 0.87 0.00 0.00 0.00 179.25 179.43 2jw2 h LYS 22 N -0.45 0.20 0.08 0.00 1.79 -1.15 -1.53 116.57 115.51 2jw2 h LYS 22 Ca 0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jw2 h LYS 22 Cb 0.45 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2jw2 h LYS 22 CO -0.10 0.13 -0.04 0.93 -1.08 0.00 0.00 179.45 179.30 2jw2 h GLU 23 N 0.21 -0.10 -0.90 3.15 4.39 -0.96 0.14 114.58 120.51 2jw2 h GLU 23 Ca 0.21 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.14 2jw2 h GLU 23 Cb 0.27 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 28.78 2jw2 h GLU 23 CO -0.29 0.07 -0.03 0.00 -1.16 0.00 0.00 179.01 177.60 2jw2 h ALA 24 N 0.66 0.93 0.01 3.43 0.00 0.90 2.69 119.26 127.87 2jw2 h ALA 24 Ca -0.01 0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.95 2jw2 h ALA 24 Cb 0.22 0.56 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2jw2 h ALA 24 CO 0.02 -0.48 -1.00 0.00 0.00 0.00 0.00 179.25 177.78 2jw2 n ASP 26 N -3.90 0.31 -0.04 0.00 9.92 0.46 -3.16 116.55 120.15 2jw2 n ASP 26 Ca -0.11 0.55 -0.17 0.00 -0.53 0.00 0.00 54.79 54.52 2jw2 n ASP 26 Cb 0.86 -0.63 -0.14 0.00 -0.64 0.00 0.00 41.12 40.58 2jw2 n ASP 26 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2jw2 n TRP 27 N -1.82 0.85 0.26 1.24 -0.00 0.88 -3.92 117.44 114.93 2jw2 n TRP 27 Ca 0.05 0.21 0.15 0.00 -0.00 0.00 0.00 57.50 57.90 2jw2 n TRP 27 Cb 0.30 -1.12 0.84 0.00 -0.00 0.00 0.00 31.31 31.33 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 0.04 0.00 -0.01 5.87 3.38 -1.32 0.84 115.31 124.11 2jw2 h LEU 28 Ca -0.44 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.27 2jw2 h LEU 28 Cb 2.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 2jw2 h LEU 28 CO 0.05 0.00 -1.10 0.03 0.09 0.00 0.00 178.44 177.50 2jw2 h ARG 29 N 0.00 0.51 -0.00 1.13 3.08 -1.60 1.24 114.38 118.74 2jw2 h ARG 29 Ca 0.03 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2jw2 h ARG 29 Cb 0.14 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2jw2 h ARG 29 CO -0.00 1.25 -0.16 0.00 -1.07 0.00 0.00 179.97 179.99 2jw2 n ALA 30 N -2.60 2.85 0.91 0.04 0.00 -0.51 -3.38 120.51 117.82 2jw2 n ALA 30 Ca -0.10 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2jw2 n ALA 30 Cb 0.92 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.98 4.23 0.00 0.00 0.00 0.17 -4.94 120.51 118.99 2jw2 n ALA 31 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2jw2 n ALA 31 Cb 0.30 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.47 1.48 2.43 0.00 0.00 -1.16 -5.00 105.19 104.41 2jw2 n GLY 32 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.28 1.13 0.10 1.61 3.72 0.43 -4.93 117.46 118.22 2jw2 n PHE 33 Ca 0.00 -3.78 -0.17 0.00 -0.05 0.00 0.00 57.45 53.45 2jw2 n PHE 33 Cb 0.00 -0.30 -0.14 0.00 -0.94 0.00 0.00 39.48 38.10 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 4.71 0.30 -0.43 -1.08 0.13 -1.82 -3.25 132.00 130.56 2jw2 h PRO 34 Ca 0.17 -0.51 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2jw2 h PRO 34 Cb 0.81 0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2jw2 h PRO 34 CO 0.58 1.21 0.16 0.37 -0.23 0.00 0.00 178.00 180.09 2jw2 h GLN 35 N 0.08 0.61 0.14 0.86 -0.00 -1.92 -3.01 115.11 111.87 2jw2 h GLN 35 Ca -0.19 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.37 2jw2 h GLN 35 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 29.38 2jw2 h GLN 35 CO 0.20 0.51 -0.07 1.88 0.00 0.00 0.00 178.83 181.35 2jw2 h TYR 36 N 0.60 -0.17 -0.88 3.99 0.05 -1.94 -2.96 116.97 115.66 2jw2 h TYR 36 Ca 0.15 -0.00 0.33 0.00 0.05 0.00 0.00 58.73 59.26 2jw2 h TYR 36 Cb 0.13 0.06 -0.16 0.00 1.01 0.00 0.00 36.73 37.77 2jw2 h TYR 36 CO 0.01 -0.11 0.35 0.00 -1.05 0.00 0.00 178.16 177.36 2jw2 n ALA 37 N -2.09 0.78 -0.34 3.88 0.00 -1.21 0.16 120.51 121.68 2jw2 n ALA 37 Ca -0.02 0.91 0.20 0.00 0.00 0.00 0.00 53.44 54.53 2jw2 n ALA 37 Cb 0.07 -0.84 0.42 0.00 0.00 0.00 0.00 19.45 19.10 2jw2 n ALA 37 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jw2 h GLN 38 N 0.00 0.44 -0.28 0.00 -0.00 -1.38 0.80 115.11 114.70 2jw2 h GLN 38 Ca 0.69 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 59.35 2jw2 h GLN 38 Cb 1.74 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 29.10 2jw2 h GLN 38 CO -0.72 0.29 0.19 -0.07 0.00 0.00 0.00 178.83 178.52 2jw2 h LEU 39 N 0.46 0.20 0.26 -2.39 3.38 0.15 -2.77 115.31 114.59 2jw2 h LEU 39 Ca 0.68 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.65 2jw2 h LEU 39 Cb 1.42 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 2jw2 h LEU 39 CO -0.54 0.14 -0.49 0.22 0.09 0.00 0.00 178.44 177.86 2jw2 h TYR 40 N 0.23 -1.39 -0.99 1.13 3.20 0.55 0.28 116.97 119.98 2jw2 h TYR 40 Ca 0.12 0.03 0.34 0.00 3.14 0.00 0.00 58.73 62.35 2jw2 h TYR 40 Cb 0.18 0.57 -0.18 0.00 1.54 0.00 0.00 36.73 38.85 2jw2 h TYR 40 CO -0.00 -0.60 0.31 0.93 -1.64 0.00 0.00 178.16 177.15 2jw2 h GLU 41 N -0.82 0.04 0.00 1.82 5.08 -1.55 2.25 114.58 121.40 2jw2 h GLU 41 Ca -0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2jw2 h GLU 41 Cb 0.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2jw2 h GLU 41 CO -0.20 0.03 -0.29 0.22 -1.00 0.00 0.00 179.01 177.77 2jw2 h ASP 42 N 0.04 0.00 -0.05 1.42 1.82 -1.35 -3.47 116.42 114.83 2jw2 h ASP 42 Ca 0.72 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.35 2jw2 h ASP 42 Cb 1.70 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.71 2jw2 h ASP 42 CO -0.81 0.29 -0.01 -1.54 -1.61 0.00 0.00 179.24 175.56 2jw2 n SER 43 N -3.19 -1.26 -1.45 2.28 3.41 0.76 -4.95 113.62 109.22 2jw2 n SER 43 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 2jw2 n SER 43 Cb 0.63 -0.57 0.21 0.00 -0.26 0.00 0.00 64.21 64.22 2jw2 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jw2 n GLN 44 N -1.21 2.24 -0.21 4.33 1.13 -0.81 -4.65 117.38 118.20 2jw2 n GLN 44 Ca -0.00 -3.10 -0.08 0.00 -1.94 0.00 0.00 57.00 51.88 2jw2 n GLN 44 Cb 0.46 -1.94 0.03 0.00 0.11 0.00 0.00 30.24 28.89 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 1.26 0.91 -2.34 1.08 -1.00 -1.89 -3.41 116.94 111.54 2jw2 h PHE 45 Ca 0.29 -0.08 -0.56 0.00 2.81 0.00 0.00 57.97 60.43 2jw2 h PHE 45 Cb 1.97 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 41.26 2jw2 h PHE 45 CO 1.12 0.75 1.31 -2.14 -1.61 0.00 0.00 178.31 177.74 2jw2 s PRO 46 N -5.47 3.63 0.13 1.51 0.02 -1.26 -4.84 135.00 128.71 2jw2 s PRO 46 Ca -0.13 2.09 -0.24 0.00 0.02 0.00 0.00 61.00 62.75 2jw2 s PRO 46 Cb 0.13 -4.21 0.08 0.00 0.02 0.00 0.00 34.50 30.52 2jw2 s PRO 46 CO 0.80 -1.52 1.11 0.96 -0.33 0.00 0.00 177.00 178.02 2jw2 s ILE 47 N 6.23 0.00 -0.87 2.83 -4.36 -1.26 -5.05 121.20 118.72 2jw2 s ILE 47 Ca 0.88 -0.47 -0.22 0.00 -0.26 0.00 0.00 60.65 60.58 2jw2 s ILE 47 Cb -0.34 -2.98 -0.19 0.00 1.25 0.00 0.00 42.46 40.20 2jw2 s ILE 47 CO 0.35 0.00 2.08 -3.20 0.24 0.00 0.00 174.94 174.41 2jw2 n ASN 48 N -1.24 0.89 -0.27 4.36 2.85 -1.26 -4.69 115.26 115.90 2jw2 n ASN 48 Ca -0.01 -1.94 -0.05 0.00 -0.11 0.00 0.00 54.58 52.47 2jw2 n ASN 48 Cb 0.59 -1.50 0.06 0.00 1.24 0.00 0.00 39.78 40.16 2jw2 n ASN 48 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2jw2 h ILE 49 N 7.05 1.23 -0.71 -1.44 2.04 -1.97 -2.31 117.51 121.40 2jw2 h ILE 49 Ca 0.00 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.39 2jw2 h ILE 49 Cb 1.01 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2jw2 h ILE 49 CO 1.04 0.25 0.35 0.58 0.00 0.00 0.00 178.15 180.37 2jw2 h VAL 50 N 1.02 0.84 0.13 1.67 2.07 -2.00 -2.25 116.25 117.73 2jw2 h VAL 50 Ca 0.26 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2jw2 h VAL 50 Cb 0.04 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2jw2 h VAL 50 CO -0.04 0.11 -0.06 0.00 0.02 0.00 0.00 177.57 177.59 2jw2 h ALA 51 N 1.43 -0.29 -0.85 1.67 0.00 -1.90 -2.72 119.26 116.60 2jw2 h ALA 51 Ca 0.35 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.38 2jw2 h ALA 51 Cb 0.38 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.08 2jw2 h ALA 51 CO -0.28 -0.28 -0.28 -0.39 0.00 0.00 0.00 179.25 178.02 2jw2 h VAL 52 N -0.59 0.10 -0.26 0.00 -1.51 -1.47 0.37 116.25 112.89 2jw2 h VAL 52 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2jw2 h VAL 52 Cb 0.14 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.39 2jw2 h VAL 52 CO 0.03 0.00 0.13 0.07 -1.23 0.00 0.00 177.57 176.57 2jw2 h LYS 53 N -0.03 0.38 -0.36 5.19 2.10 -1.56 0.68 116.57 122.97 2jw2 h LYS 53 Ca 0.37 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 59.04 2jw2 h LYS 53 Cb 0.61 -0.07 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 2jw2 h LYS 53 CO -0.88 0.36 -0.11 -0.91 -2.00 0.00 0.00 179.45 175.91 2jw2 h ASN 54 N 0.30 -0.38 -0.41 7.07 -0.26 -0.42 -1.68 115.58 119.80 2jw2 h ASN 54 Ca 0.09 0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.89 2jw2 h ASN 54 Cb 0.10 0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2jw2 h ASN 54 CO -0.01 -0.14 0.06 0.44 -1.06 0.00 0.00 177.43 176.72 2jw2 h ASP 55 N -0.02 0.65 0.00 5.81 3.32 -0.04 -2.61 116.42 123.53 2jw2 h ASP 55 Ca 0.17 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2jw2 h ASP 55 Cb 0.29 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2jw2 h ASP 55 CO -0.38 0.76 0.00 1.41 -1.72 0.00 0.00 179.24 179.31 2jw2 n HIS 56 N -4.50 0.00 1.24 4.55 8.25 0.23 -3.74 115.22 121.25 2jw2 n HIS 56 Ca -0.00 -0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.36 2jw2 n HIS 56 Cb 0.24 -0.15 0.62 0.00 1.12 0.00 0.00 29.99 31.82 2jw2 n HIS 56 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2jw2 n ASP 57 N 0.49 0.00 0.10 0.41 9.92 -0.98 -3.70 116.55 122.79 2jw2 n ASP 57 Ca 0.00 -0.36 0.15 0.00 -0.53 0.00 0.00 54.79 54.04 2jw2 n ASP 57 Cb 0.27 -0.15 0.34 0.00 -0.64 0.00 0.00 41.12 40.94 2jw2 n ASP 57 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2jw2 h PHE 58 N 0.00 0.00 -1.60 1.24 -0.00 -1.86 -3.38 116.94 111.34 2jw2 h PHE 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2jw2 h PHE 58 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.06 2jw2 h PHE 58 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.31 178.20 2jw2 n LEU 59 N -2.95 0.00 -4.81 2.10 7.94 -1.24 -5.06 117.00 112.96 2jw2 n LEU 59 Ca 0.09 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.66 2jw2 n LEU 59 Cb 1.09 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 45.01 2jw2 n LEU 59 CO 0.13 0.00 0.70 -1.61 -1.11 0.00 0.00 177.39 175.50 2jw2 s GLU 60 N 1.96 3.78 0.06 1.96 2.02 -1.26 -4.98 118.70 122.24 2jw2 s GLU 60 Ca 0.00 1.17 -0.19 0.00 0.02 0.00 0.00 54.97 55.97 2jw2 s GLU 60 Cb 0.00 -2.10 -0.13 0.00 0.10 0.00 0.00 34.13 32.00 2jw2 s GLU 60 CO 0.00 -0.42 1.36 -0.22 0.02 0.00 0.00 175.26 176.00 2jw2 h LYS 61 N 1.14 0.45 0.00 1.61 3.11 -1.98 -2.50 116.57 118.40 2jw2 h LYS 61 Ca -0.48 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.12 2jw2 h LYS 61 Cb 1.20 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2jw2 h LYS 61 CO 0.60 0.81 0.00 -3.47 -2.81 0.00 0.00 179.45 174.58 2jw2 n ASP 62 N -4.47 0.00 -0.00 4.20 2.03 -1.26 -0.57 116.55 116.48 2jw2 n ASP 62 Ca -0.06 0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.72 2jw2 n ASP 62 Cb 0.39 -0.39 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 2jw2 n ASP 62 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jw2 n LEU 63 N -1.39 0.42 0.08 -2.67 7.99 -0.97 -4.31 117.00 116.15 2jw2 n LEU 63 Ca 0.02 -0.16 -0.22 0.00 -0.01 0.00 0.00 56.01 55.64 2jw2 n LEU 63 Cb 0.06 -0.01 -0.13 0.00 -0.11 0.00 0.00 43.42 43.23 2jw2 n LEU 63 CO 0.05 0.08 -0.03 0.58 -1.51 0.00 0.00 177.39 176.56 2jw2 h VAL 64 N 0.00 1.29 0.20 4.08 2.07 -0.57 -3.09 116.25 120.23 2jw2 h VAL 64 Ca 0.00 -2.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.11 2jw2 h VAL 64 Cb 0.80 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 2jw2 h VAL 64 CO 0.00 0.73 -0.32 -0.33 0.02 0.00 0.00 177.57 177.67 2jw2 h GLU 65 N 0.27 -0.53 -0.70 1.57 4.39 -1.73 -1.74 114.58 116.11 2jw2 h GLU 65 Ca -0.17 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.76 2jw2 h GLU 65 Cb 1.85 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.59 2jw2 h GLU 65 CO 0.23 -0.36 0.50 -1.00 -1.16 0.00 0.00 179.01 177.22 2jw2 h PRO 66 N -0.55 0.05 -0.46 2.33 0.13 -1.76 -1.04 132.00 130.69 2jw2 h PRO 66 Ca -0.02 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2jw2 h PRO 66 Cb 0.51 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 2jw2 h PRO 66 CO -0.10 0.03 0.16 1.25 -0.23 0.00 0.00 178.00 179.11 2jw2 h LEU 67 N 0.05 0.16 -1.84 1.56 5.85 -1.23 0.17 115.31 120.02 2jw2 h LEU 67 Ca 0.33 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2jw2 h LEU 67 Cb 1.26 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2jw2 h LEU 67 CO -0.02 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 2jw2 h ARG 69 N 0.00 0.14 -0.11 0.00 2.43 -0.62 -2.12 114.38 114.10 2jw2 h ARG 69 Ca 0.00 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 2jw2 h ARG 69 Cb 0.36 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2jw2 h ARG 69 CO 0.00 0.88 -0.13 0.00 -1.51 0.00 0.00 179.97 179.21 2jw2 h ARG 70 N -0.53 0.29 -0.18 0.20 2.47 -0.99 -2.57 114.38 113.07 2jw2 h ARG 70 Ca -0.02 -0.16 0.04 0.00 -1.26 0.00 0.00 59.98 58.58 2jw2 h ARG 70 Cb 0.94 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.23 2jw2 h ARG 70 CO 0.04 0.71 -0.08 -0.07 0.56 0.00 0.00 179.97 181.13 2jw2 h LEU 71 N -0.12 -0.28 -1.33 3.04 3.38 -1.21 0.69 115.31 119.49 2jw2 h LEU 71 Ca 0.02 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2jw2 h LEU 71 Cb 0.67 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2jw2 h LEU 71 CO 0.03 -0.11 0.55 -1.13 0.09 0.00 0.00 178.44 177.87 2jw2 h ASN 72 N -0.06 0.64 0.28 -0.43 -0.00 -1.40 -0.00 115.58 114.60 2jw2 h ASN 72 Ca 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 56.30 56.41 2jw2 h ASN 72 Cb 0.21 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.43 2jw2 h ASN 72 CO -0.22 0.35 -0.13 0.74 -0.00 0.00 0.00 177.43 178.17 2jw2 h THR 73 N 0.70 0.00 -0.77 -3.57 2.02 -0.72 -2.78 112.91 107.79 2jw2 h THR 73 Ca 0.41 -0.18 0.15 0.00 0.77 0.00 0.00 66.41 67.56 2jw2 h THR 73 Cb 0.60 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.86 2jw2 h THR 73 CO -0.17 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.42 2jw2 h LEU 74 N -0.55 -0.83 -0.43 2.58 4.07 -0.73 0.27 115.31 119.68 2jw2 h LEU 74 Ca -0.04 0.24 0.07 0.00 0.08 0.00 0.00 57.88 58.23 2jw2 h LEU 74 Cb 0.29 0.51 -0.09 0.00 1.08 0.00 0.00 40.66 42.45 2jw2 h LEU 74 CO 0.06 -0.27 -0.44 0.78 -1.08 0.00 0.00 178.44 177.50 2jw2 h ASN 75 N -0.02 -1.46 -0.08 -0.43 4.21 -1.06 2.07 115.58 118.81 2jw2 h ASN 75 Ca 0.35 0.22 0.02 0.00 1.21 0.00 0.00 56.30 58.11 2jw2 h ASN 75 Cb 0.57 0.64 -0.00 0.00 -1.12 0.00 0.00 38.32 38.41 2jw2 h ASN 75 CO -0.80 -0.36 0.16 0.50 -1.29 0.00 0.00 177.43 175.64 2jw2 h LYS 76 N -0.31 0.00 0.00 0.81 3.64 -0.68 0.12 116.57 120.14 2jw2 h LYS 76 Ca 0.14 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 2jw2 h LYS 76 Cb 0.58 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2jw2 h LYS 76 CO -0.59 0.00 -1.64 0.00 -2.27 0.00 0.00 179.45 174.95 2jw2 n ALA 78 N -2.42 2.26 0.83 0.00 0.00 0.62 -2.52 120.51 119.28 2jw2 n ALA 78 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2jw2 n ALA 78 Cb 0.84 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.48 2.95 0.00 0.00 2.88 -1.17 -4.97 113.62 112.83 2jw2 n SER 79 Ca 0.00 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2jw2 n SER 79 Cb 0.01 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2jw2 n SER 79 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jw2 n MET 80 N 1.24 0.00 -0.35 -1.46 2.81 -1.05 -5.16 117.12 113.15 2jw2 n MET 80 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2jw2 n MET 80 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.08 2jw2 n MET 80 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65