#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2w s GLN 8 N 0.00 4.17 -0.28 -1.58 2.00 -1.26 -5.05 119.66 117.67 2w2w s GLN 8 Ca 0.00 -0.20 -0.26 0.00 -2.00 0.00 0.00 55.36 52.90 2w2w s GLN 8 Cb 0.00 -3.45 0.17 0.00 0.80 0.00 0.00 33.01 30.53 2w2w s GLN 8 CO 0.00 0.24 1.29 -1.14 -0.50 0.00 0.00 175.29 175.18 2w2w s GLN 9 N 0.52 0.22 0.00 1.67 -0.44 -1.26 -1.56 119.66 118.80 2w2w s GLN 9 Ca 0.09 0.20 0.00 0.00 -2.50 0.00 0.00 55.36 53.15 2w2w s GLN 9 Cb -0.12 0.10 0.00 0.00 -1.64 0.00 0.00 33.01 31.36 2w2w s GLN 9 CO -0.00 -0.04 0.00 0.41 0.50 0.00 0.00 175.29 176.16 2w2w n GLY 10 N 1.52 -1.30 3.81 2.59 0.00 -0.83 -5.02 105.19 105.97 2w2w n GLY 10 Ca -0.09 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 2w2w n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2w2w s GLU 11 N -0.73 4.31 0.06 1.61 -1.05 -1.26 -1.39 118.70 120.25 2w2w s GLU 11 Ca 0.00 1.13 -0.05 0.00 -0.15 0.00 0.00 54.97 55.90 2w2w s GLU 11 Cb 0.00 -2.41 -0.02 0.00 -0.44 0.00 0.00 34.13 31.26 2w2w s GLU 11 CO 0.00 0.09 0.07 -0.51 0.95 0.00 0.00 175.26 175.86 2w2w s LEU 12 N -2.80 1.99 0.10 1.83 1.43 0.14 -4.92 118.68 116.45 2w2w s LEU 12 Ca 0.57 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2w2w s LEU 12 Cb -0.12 0.58 -0.06 0.00 0.03 0.00 0.00 46.19 46.61 2w2w s LEU 12 CO 0.17 -0.64 0.44 -0.31 0.23 0.00 0.00 176.35 176.24 2w2w s TYR 13 N -3.71 3.59 0.03 0.29 1.51 0.85 -0.77 117.35 119.15 2w2w s TYR 13 Ca 0.05 0.87 0.06 0.00 -1.01 0.00 0.00 57.07 57.03 2w2w s TYR 13 Cb 0.05 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2w2w s TYR 13 CO -0.10 0.49 -0.17 -1.64 -1.11 0.00 0.00 175.55 173.03 2w2w s MET 14 N -1.91 1.17 -0.32 -0.62 -1.94 -0.04 -1.67 119.30 113.96 2w2w s MET 14 Ca 0.34 -0.80 -0.18 0.00 -1.71 0.00 0.00 55.69 53.34 2w2w s MET 14 Cb -0.14 -1.21 -0.01 0.00 2.01 0.00 0.00 34.83 35.47 2w2w s MET 14 CO 0.18 0.31 0.52 -0.46 -0.01 0.00 0.00 175.02 175.56 2w2w s TRP 15 N -0.76 3.20 -0.52 -0.03 -0.00 -0.81 -1.26 118.94 118.76 2w2w s TRP 15 Ca 0.05 0.32 -0.20 0.00 -0.00 0.00 0.00 56.10 56.27 2w2w s TRP 15 Cb -0.08 -2.88 0.06 0.00 -0.00 0.00 0.00 33.47 30.57 2w2w s TRP 15 CO 0.01 -0.47 0.68 0.34 -0.00 0.00 0.00 176.95 177.52 2w2w s ASP 16 N 1.70 6.24 0.00 5.86 2.15 -0.88 -4.75 116.67 126.99 2w2w s ASP 16 Ca 0.20 -0.83 0.09 0.00 0.43 0.00 0.00 52.55 52.44 2w2w s ASP 16 Cb -0.15 -2.32 0.53 0.00 -0.30 0.00 0.00 42.92 40.68 2w2w s ASP 16 CO 0.12 -0.96 1.05 -1.54 -0.17 0.00 0.00 175.17 173.67 2w2w n SER 17 N 6.41 0.00 -0.01 -0.34 3.41 -1.26 -1.56 113.62 120.27 2w2w n SER 17 Ca -0.05 -0.17 -0.01 0.00 -0.26 0.00 0.00 58.87 58.38 2w2w n SER 17 Cb 0.46 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2w2w n SER 17 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2w2w n ILE 18 N -1.08 0.18 1.21 -1.33 -0.00 -1.26 -4.38 119.36 112.70 2w2w n ILE 18 Ca 0.06 0.46 0.09 0.00 -0.00 0.00 0.00 62.75 63.37 2w2w n ILE 18 Cb 0.04 -1.61 0.55 0.00 -0.00 0.00 0.00 39.64 38.63 2w2w n ILE 18 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2w2w n ASP 19 N -2.62 0.00 -4.02 4.38 10.43 -1.21 -4.86 116.55 118.64 2w2w n ASP 19 Ca -0.01 -0.62 -0.28 0.00 2.57 0.00 0.00 54.79 56.44 2w2w n ASP 19 Cb 0.05 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.98 2w2w n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n GLN 20 N -0.98 -3.39 -3.98 -1.24 1.13 -0.60 -4.96 117.38 103.36 2w2w n GLN 20 Ca 0.14 0.41 -0.08 0.00 -1.94 0.00 0.00 57.00 55.52 2w2w n GLN 20 Cb 0.06 -4.72 -0.09 0.00 0.11 0.00 0.00 30.24 25.60 2w2w n GLN 20 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2w2w s LYS 21 N -6.66 0.67 0.13 -1.09 -0.14 -1.21 -5.02 119.74 106.40 2w2w s LYS 21 Ca 0.23 -1.02 -0.21 0.00 -1.36 0.00 0.00 55.97 53.61 2w2w s LYS 21 Cb -0.12 0.25 -0.07 0.00 -1.68 0.00 0.00 37.83 36.20 2w2w s LYS 21 CO 0.90 -0.16 0.65 -1.58 -0.76 0.00 0.00 175.35 174.39 2w2w s TRP 22 N -3.53 3.80 0.07 3.18 0.52 -1.26 -2.07 118.94 119.64 2w2w s TRP 22 Ca 0.03 1.38 0.06 0.00 0.02 0.00 0.00 56.10 57.59 2w2w s TRP 22 Cb 0.04 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.75 2w2w s TRP 22 CO -0.09 0.52 -0.16 0.95 0.02 0.00 0.00 176.95 178.19 2w2w s THR 23 N -1.20 1.27 -0.26 2.01 -4.23 -0.39 -4.93 115.64 107.90 2w2w s THR 23 Ca 0.33 -1.28 -0.20 0.00 -1.18 0.00 0.00 61.69 59.36 2w2w s THR 23 Cb -0.20 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 2w2w s THR 23 CO 0.21 -0.11 0.63 -0.13 -0.54 0.00 0.00 174.62 174.68 2w2w s ARG 24 N -1.61 4.08 0.03 3.99 0.52 -1.26 -0.86 118.95 123.84 2w2w s ARG 24 Ca 0.01 0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.79 2w2w s ARG 24 Cb -0.09 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 2w2w s ARG 24 CO 0.02 -0.43 -0.17 -1.01 0.02 0.00 0.00 175.30 173.73 2w2w s HIS 25 N 2.52 1.48 -0.17 -0.53 3.76 0.05 -1.07 115.29 121.32 2w2w s HIS 25 Ca 0.26 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.61 2w2w s HIS 25 Cb -0.15 -0.90 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 2w2w s HIS 25 CO 0.09 0.04 0.68 0.12 -0.85 0.00 0.00 174.74 174.83 2w2w s PHE 26 N -0.72 3.41 0.16 1.40 5.36 -1.26 -0.68 117.98 125.64 2w2w s PHE 26 Ca 0.05 1.04 0.08 0.00 -0.96 0.00 0.00 56.93 57.14 2w2w s PHE 26 Cb -0.08 -2.85 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2w2w s PHE 26 CO 0.01 -0.15 -0.17 0.00 -1.46 0.00 0.00 175.22 173.45 2w2w s ALA 28 N -2.18 -0.54 -0.20 0.00 0.00 -0.69 -1.95 121.76 116.20 2w2w s ALA 28 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2w2w s ALA 28 Cb -0.05 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2w2w s ALA 28 CO 0.06 -0.33 -0.17 0.42 0.00 0.00 0.00 175.76 175.73 2w2w s ILE 29 N -2.12 2.05 -0.02 0.00 1.01 -0.60 -0.77 121.20 120.75 2w2w s ILE 29 Ca -0.08 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.52 2w2w s ILE 29 Cb -0.03 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 2w2w s ILE 29 CO -0.01 0.39 -0.13 0.00 0.00 0.00 0.00 174.94 175.19 2w2w s ALA 30 N 1.26 1.13 0.00 9.38 0.00 -0.80 -4.29 121.76 128.44 2w2w s ALA 30 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2w2w s ALA 30 Cb -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2w2w s ALA 30 CO -0.11 0.25 0.00 -0.25 0.00 0.00 0.00 175.76 175.65 2w2w n ASP 31 N 2.89 0.00 -1.13 0.00 10.43 -1.26 -0.85 116.55 126.63 2w2w n ASP 31 Ca -0.15 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.16 2w2w n ASP 31 Cb 0.55 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.66 2w2w n ASP 31 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n ALA 32 N 11.85 4.24 -2.86 2.24 0.00 -1.26 -5.01 120.51 129.71 2w2w n ALA 32 Ca 0.00 -3.40 -0.27 0.00 0.00 0.00 0.00 53.44 49.76 2w2w n ALA 32 Cb 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 19.45 18.82 2w2w n ALA 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2w2w s LYS 33 N -3.35 1.94 -0.21 0.00 0.00 -0.03 -0.92 119.74 117.17 2w2w s LYS 33 Ca 0.44 -0.67 -0.03 0.00 0.00 0.00 0.00 55.97 55.70 2w2w s LYS 33 Cb 0.39 -1.68 -0.01 0.00 0.00 0.00 0.00 37.83 36.54 2w2w s LYS 33 CO -0.03 0.28 -0.05 -1.17 0.00 0.00 0.00 175.35 174.38 2w2w s LEU 34 N -0.02 2.87 0.02 2.77 0.20 -0.12 -1.91 118.68 122.49 2w2w s LEU 34 Ca -0.03 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.42 2w2w s LEU 34 Cb -0.12 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 2w2w s LEU 34 CO 0.02 -0.00 -0.01 -0.94 -0.29 0.00 0.00 176.35 175.13 2w2w s SER 35 N 1.38 5.03 -0.01 3.68 1.04 0.05 -0.47 113.70 124.40 2w2w s SER 35 Ca 0.05 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2w2w s SER 35 Cb -0.14 -1.27 0.01 0.00 0.10 0.00 0.00 66.02 64.72 2w2w s SER 35 CO -0.03 0.26 -0.01 0.72 0.98 0.00 0.00 173.24 175.16 2w2w s PHE 36 N -1.13 0.19 0.69 5.02 -0.12 -0.75 -1.70 117.98 120.19 2w2w s PHE 36 Ca 0.21 0.00 -0.05 0.00 -0.05 0.00 0.00 56.93 57.03 2w2w s PHE 36 Cb -0.11 -0.21 0.15 0.00 -0.63 0.00 0.00 43.02 42.21 2w2w s PHE 36 CO 0.12 -0.05 0.95 -1.13 -0.05 0.00 0.00 175.22 175.05 2w2w n SER 37 N 3.51 0.74 -4.83 1.98 3.41 -0.75 -1.88 113.62 115.79 2w2w n SER 37 Ca -0.19 -1.75 -0.29 0.00 -0.26 0.00 0.00 58.87 56.38 2w2w n SER 37 Cb 0.55 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.94 2w2w n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2w2w s ASP 38 N -4.67 4.44 -0.51 4.04 1.01 -0.96 -4.59 116.67 115.42 2w2w s ASP 38 Ca 0.59 1.08 -0.37 0.00 0.71 0.00 0.00 52.55 54.56 2w2w s ASP 38 Cb -0.03 -1.74 -0.15 0.00 1.01 0.00 0.00 42.92 42.01 2w2w s ASP 38 CO 0.40 -1.98 2.27 -0.67 0.21 0.00 0.00 175.17 175.40 2w2w n ASP 39 N -3.41 1.40 0.00 0.27 -0.08 -1.26 -4.62 116.55 108.85 2w2w n ASP 39 Ca 0.07 0.39 0.10 0.00 -1.51 0.00 0.00 54.79 53.84 2w2w n ASP 39 Cb 0.58 -1.11 0.55 0.00 2.34 0.00 0.00 41.12 43.47 2w2w n ASP 39 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2w2w n ILE 40 N 7.08 0.16 -0.02 5.18 -5.35 -0.23 -1.72 119.36 124.46 2w2w n ILE 40 Ca 0.49 0.04 -0.09 0.00 -0.27 0.00 0.00 62.75 62.93 2w2w n ILE 40 Cb 0.13 -0.73 -0.14 0.00 -1.74 0.00 0.00 39.64 37.16 2w2w n ILE 40 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2w2w h GLU 41 N 0.00 0.00 0.00 6.28 5.08 -1.86 -3.51 114.58 120.57 2w2w h GLU 41 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2w2w h GLU 41 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2w2w h GLU 41 CO 0.00 0.52 0.00 1.04 -1.00 0.00 0.00 179.01 179.57 2w2w n GLN 42 N -3.06 0.00 0.00 2.33 6.02 -0.70 -5.20 117.38 116.77 2w2w n GLN 42 Ca -0.16 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2w2w n GLN 42 Cb 1.05 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.65 2w2w n GLN 42 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2w2w n SER 52 N -0.90 0.00 -1.28 1.08 2.88 -1.26 -5.10 113.62 109.04 2w2w n SER 52 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2w2w n SER 52 Cb 0.00 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 2w2w n SER 52 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2w2w n LEU 53 N 0.00 3.75 -2.71 2.46 0.00 -1.26 -2.26 117.00 116.97 2w2w n LEU 53 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 56.01 54.04 2w2w n LEU 53 Cb 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 43.42 43.02 2w2w n LEU 53 CO 0.00 0.65 0.42 0.00 0.00 0.00 0.00 177.39 178.46 2w2w n ARG 55 N 0.15 0.03 -3.57 0.00 1.74 -0.79 -4.77 116.66 109.46 2w2w n ARG 55 Ca 0.02 0.27 -0.10 0.00 -0.77 0.00 0.00 57.85 57.27 2w2w n ARG 55 Cb 0.73 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 2w2w n ARG 55 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2w2w s GLY 56 N -2.91 -0.30 -0.03 -0.13 0.00 -1.10 -5.03 107.32 97.81 2w2w s GLY 56 Ca 0.07 1.87 0.00 0.00 0.00 0.00 0.00 44.72 46.66 2w2w s GLY 56 CO 0.21 0.93 -0.00 -0.42 0.00 0.00 0.00 173.10 173.82 2w2w s ILE 57 N -1.39 0.20 -0.12 0.90 1.01 -1.26 -1.81 121.20 118.74 2w2w s ILE 57 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 2w2w s ILE 57 Cb -0.01 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 2w2w s ILE 57 CO 0.00 0.15 -0.08 -0.76 0.00 0.00 0.00 174.94 174.26 2w2w s LEU 58 N 1.06 3.06 -0.59 2.97 1.43 0.38 -4.94 118.68 122.05 2w2w s LEU 58 Ca -0.09 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 2w2w s LEU 58 Cb -0.14 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.45 2w2w s LEU 58 CO -0.02 0.23 0.83 -0.62 0.23 0.00 0.00 176.35 177.00 2w2w s ASP 59 N -0.03 6.22 0.57 2.29 -1.08 -1.26 -0.95 116.67 122.43 2w2w s ASP 59 Ca -0.01 -0.94 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 2w2w s ASP 59 Cb -0.14 -2.37 1.64 0.00 -1.46 0.00 0.00 42.92 40.60 2w2w s ASP 59 CO 0.03 -1.20 2.19 -0.07 0.52 0.00 0.00 175.17 176.64 2w2w h LEU 60 N 10.60 0.00 -2.07 -1.34 3.38 -1.39 0.52 115.31 125.01 2w2w h LEU 60 Ca -0.28 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.76 2w2w h LEU 60 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2w2w h LEU 60 CO 1.10 0.00 0.19 0.78 0.09 0.00 0.00 178.44 180.60 2w2w h ASN 61 N 0.00 0.00 0.60 -0.43 2.35 -1.89 -1.01 115.58 115.20 2w2w h ASN 61 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2w2w h ASN 61 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2w2w h ASN 61 CO -0.00 0.00 -0.62 0.35 -1.65 0.00 0.00 177.43 175.51 2w2w n THR 62 N -4.28 0.14 -3.99 2.81 -2.24 0.17 -4.95 114.28 101.93 2w2w n THR 62 Ca 0.03 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 2w2w n THR 62 Cb 0.34 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 2w2w n THR 62 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2w2w s TYR 63 N -3.08 2.64 0.10 4.78 1.51 -0.38 -2.94 117.35 119.98 2w2w s TYR 63 Ca 0.08 -0.55 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2w2w s TYR 63 Cb 0.16 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2w2w s TYR 63 CO 0.72 0.12 -0.11 -0.80 -1.11 0.00 0.00 175.55 174.37 2w2w s ASN 64 N -3.95 1.59 -0.24 2.29 0.02 0.33 -4.93 114.94 110.04 2w2w s ASN 64 Ca 0.43 -0.81 -0.05 0.00 -1.02 0.00 0.00 52.86 51.41 2w2w s ASN 64 Cb 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 41.25 41.27 2w2w s ASN 64 CO 0.24 -0.23 0.00 0.68 0.02 0.00 0.00 177.10 177.81 2w2w s VAL 65 N -2.34 3.62 0.08 1.60 -7.23 -1.26 -1.02 120.40 113.85 2w2w s VAL 65 Ca 0.06 -0.52 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 2w2w s VAL 65 Cb -0.03 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2w2w s VAL 65 CO 0.01 0.32 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.38 2w2w s VAL 66 N 1.49 3.73 0.10 1.32 1.01 -0.52 -4.97 120.40 122.56 2w2w s VAL 66 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2w2w s VAL 66 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2w2w s VAL 66 CO -0.01 0.16 0.23 -0.75 0.00 0.00 0.00 175.10 174.73 2w2w s LYS 67 N -2.13 3.40 -0.44 2.72 2.20 -1.26 -0.80 119.74 123.43 2w2w s LYS 67 Ca 0.23 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2w2w s LYS 67 Cb -0.11 -2.99 0.12 0.00 -1.51 0.00 0.00 37.83 33.34 2w2w s LYS 67 CO 0.15 0.57 0.25 0.00 -0.36 0.00 0.00 175.35 175.96 2w2w s ALA 68 N -1.61 3.24 0.12 3.13 0.00 -1.13 -4.95 121.76 120.57 2w2w s ALA 68 Ca 0.34 -2.62 -0.32 0.00 0.00 0.00 0.00 51.96 49.37 2w2w s ALA 68 Cb -0.12 -2.50 -0.10 0.00 0.00 0.00 0.00 23.12 20.40 2w2w s ALA 68 CO 0.28 -1.85 1.57 -1.35 0.00 0.00 0.00 175.76 174.41 2w2w h PRO 69 N 8.00 -0.57 0.00 0.00 0.11 -1.95 -0.62 132.00 136.97 2w2w h PRO 69 Ca -0.13 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2w2w h PRO 69 Cb 1.04 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2w2w h PRO 69 CO 0.72 -0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 2w2w n GLN 70 N -5.45 0.14 0.00 1.05 0.00 -1.26 -4.99 117.38 106.87 2w2w n GLN 70 Ca -0.06 0.53 0.00 0.00 0.00 0.00 0.00 57.00 57.48 2w2w n GLN 70 Cb 0.38 -1.87 0.00 0.00 0.00 0.00 0.00 30.24 28.75 2w2w n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w2w n GLY 71 N -0.80 -1.75 3.58 2.61 0.00 -0.24 -4.96 105.19 103.63 2w2w n GLY 71 Ca 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 2w2w n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w2w s LYS 72 N 0.00 0.80 -1.49 1.61 2.20 -0.96 -4.91 119.74 117.00 2w2w s LYS 72 Ca 0.00 0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 2w2w s LYS 72 Cb 0.00 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.71 2w2w s LYS 72 CO 0.00 -0.19 0.15 0.09 -0.36 0.00 0.00 175.35 175.03 2w2w n ASN 73 N 1.53 0.09 -0.45 1.43 3.02 -1.26 -0.58 115.26 119.04 2w2w n ASN 73 Ca -0.15 -1.25 -0.06 0.00 -0.03 0.00 0.00 54.58 53.10 2w2w n ASN 73 Cb 0.56 -1.79 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 2w2w n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w2w n GLN 74 N -4.63 -1.19 -4.58 3.52 6.02 -1.26 -4.98 117.38 110.29 2w2w n GLN 74 Ca -0.30 0.61 -0.33 0.00 -0.01 0.00 0.00 57.00 56.97 2w2w n GLN 74 Cb 0.68 -4.65 -0.13 0.00 1.02 0.00 0.00 30.24 27.16 2w2w n GLN 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2w2w s LYS 75 N -2.11 3.32 0.11 -1.09 -0.14 0.25 -5.04 119.74 115.03 2w2w s LYS 75 Ca 0.00 -0.58 -0.09 0.00 -1.36 0.00 0.00 55.97 53.94 2w2w s LYS 75 Cb 0.00 -2.74 -0.14 0.00 -1.68 0.00 0.00 37.83 33.28 2w2w s LYS 75 CO 0.00 0.36 1.28 0.77 -0.76 0.00 0.00 175.35 177.00 2w2w h SER 76 N 6.28 0.77 -3.76 2.83 0.02 -1.88 -2.54 113.55 115.26 2w2w h SER 76 Ca -0.35 -0.57 -0.65 0.00 -0.84 0.00 0.00 61.79 59.38 2w2w h SER 76 Cb 1.19 -0.23 -0.38 0.00 0.14 0.00 0.00 62.40 63.12 2w2w h SER 76 CO 0.58 1.36 -0.78 -0.36 -1.14 0.00 0.00 176.83 176.50 2w2w s PHE 77 N -3.46 3.16 0.03 3.45 0.08 -1.26 -4.38 117.98 115.60 2w2w s PHE 77 Ca -0.08 -2.35 0.01 0.00 0.12 0.00 0.00 56.93 54.62 2w2w s PHE 77 Cb 0.08 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2w2w s PHE 77 CO 0.89 -0.88 -0.05 0.14 -0.10 0.00 0.00 175.22 175.23 2w2w s VAL 78 N 1.13 0.27 0.21 -0.44 -7.23 -1.26 -1.47 120.40 111.61 2w2w s VAL 78 Ca -0.03 -1.06 0.10 0.00 -1.81 0.00 0.00 61.98 59.18 2w2w s VAL 78 Cb -0.19 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.20 2w2w s VAL 78 CO -0.07 -0.51 -0.18 0.72 -0.31 0.00 0.00 175.10 174.75 2w2w s PHE 79 N -1.67 1.97 -0.06 2.82 -0.71 -0.69 -2.83 117.98 116.82 2w2w s PHE 79 Ca -0.12 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.35 2w2w s PHE 79 Cb -0.08 -0.92 0.01 0.00 -1.21 0.00 0.00 43.02 40.82 2w2w s PHE 79 CO -0.01 0.47 -0.12 0.42 -1.34 0.00 0.00 175.22 174.64 2w2w s ILE 80 N -2.45 1.13 -0.64 -4.49 1.01 0.02 -1.45 121.20 114.33 2w2w s ILE 80 Ca 0.23 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2w2w s ILE 80 Cb -0.04 -1.03 0.13 0.00 0.01 0.00 0.00 42.46 41.52 2w2w s ILE 80 CO 0.09 0.35 0.71 -0.76 0.00 0.00 0.00 174.94 175.34 2w2w s LEU 81 N 0.60 5.68 -0.15 2.97 1.02 -0.22 -1.44 118.68 127.14 2w2w s LEU 81 Ca -0.13 -1.71 -0.07 0.00 0.02 0.00 0.00 54.13 52.24 2w2w s LEU 81 Cb -0.15 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 2w2w s LEU 81 CO 0.03 -1.00 0.09 -1.83 0.02 0.00 0.00 176.35 173.67 2w2w s GLU 82 N 2.17 3.71 0.40 1.70 -1.05 -0.19 -1.90 118.70 123.55 2w2w s GLU 82 Ca 0.12 -0.26 -0.05 0.00 -0.15 0.00 0.00 54.97 54.63 2w2w s GLU 82 Cb -0.22 -3.18 0.09 0.00 -0.44 0.00 0.00 34.13 30.37 2w2w s GLU 82 CO 0.02 0.50 0.55 -0.35 0.95 0.00 0.00 175.26 176.94 2w2w n PRO 83 N 2.84 -0.29 -3.85 -4.83 -0.05 -1.26 -0.51 135.00 127.05 2w2w n PRO 83 Ca -0.18 -1.03 -0.36 0.00 -0.05 0.00 0.00 63.50 61.88 2w2w n PRO 83 Cb 0.53 -0.51 -0.13 0.00 -0.05 0.00 0.00 33.50 33.34 2w2w n PRO 83 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 175.50 173.86 2w2w s LYS 84 N -4.08 3.05 0.00 0.54 0.00 -1.15 -4.80 119.74 113.30 2w2w s LYS 84 Ca 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.44 2w2w s LYS 84 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 37.83 34.63 2w2w s LYS 84 CO 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 175.35 175.19 2w2w n GLN 85 N 4.79 0.00 -2.83 1.78 -0.00 -1.26 -5.09 117.38 114.77 2w2w n GLN 85 Ca -0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.57 2w2w n GLN 85 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 30.24 30.71 2w2w n GLN 85 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2w2w s PRO 89 N 0.00 3.55 0.30 2.61 0.02 -1.26 -5.32 135.00 134.90 2w2w s PRO 89 Ca 0.00 0.11 -0.27 0.00 0.02 0.00 0.00 61.00 60.86 2w2w s PRO 89 Cb 0.00 -2.44 -0.10 0.00 0.02 0.00 0.00 34.50 31.98 2w2w s PRO 89 CO 0.00 -0.10 0.95 -2.14 -0.33 0.00 0.00 177.00 175.38 2w2w s PRO 90 N -4.53 4.65 -0.22 5.54 0.02 -1.26 -4.67 135.00 134.53 2w2w s PRO 90 Ca 0.46 1.39 -0.09 0.00 0.02 0.00 0.00 61.00 62.79 2w2w s PRO 90 Cb -0.10 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 2w2w s PRO 90 CO 0.41 0.33 0.10 0.08 -0.33 0.00 0.00 177.00 177.60 2w2w s VAL 91 N -1.48 4.89 -0.26 3.83 1.01 -0.80 -4.98 120.40 122.61 2w2w s VAL 91 Ca 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 2w2w s VAL 91 Cb -0.21 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2w2w s VAL 91 CO 0.27 0.38 0.01 -1.61 0.00 0.00 0.00 175.10 174.14 2w2w s GLU 92 N 0.99 3.09 0.23 2.72 2.02 -1.26 -1.06 118.70 125.43 2w2w s GLU 92 Ca 0.05 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.29 2w2w s GLU 92 Cb -0.14 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2w2w s GLU 92 CO 0.03 -0.37 0.10 -0.06 0.02 0.00 0.00 175.26 174.98 2w2w s PHE 93 N 1.44 2.95 -0.02 1.61 0.40 -0.53 -1.93 117.98 121.90 2w2w s PHE 93 Ca 0.03 -0.14 -0.23 0.00 -0.60 0.00 0.00 56.93 55.99 2w2w s PHE 93 Cb -0.16 -1.35 0.05 0.00 0.51 0.00 0.00 43.02 42.07 2w2w s PHE 93 CO -0.01 0.55 0.50 0.00 0.70 0.00 0.00 175.22 176.96 2w2w s ALA 94 N -2.08 -1.29 0.29 5.36 0.00 -0.67 -1.70 121.76 121.68 2w2w s ALA 94 Ca 0.31 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.10 2w2w s ALA 94 Cb -0.08 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 2w2w s ALA 94 CO 0.22 -0.35 0.02 0.95 0.00 0.00 0.00 175.76 176.60 2w2w s THR 95 N -1.49 1.21 -0.07 0.00 -4.23 -0.54 -0.10 115.64 110.42 2w2w s THR 95 Ca -0.11 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.28 2w2w s THR 95 Cb -0.02 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 2w2w s THR 95 CO 0.05 -0.13 0.35 0.44 -0.54 0.00 0.00 174.62 174.79 2w2w h ASP 96 N 2.24 -0.23 -2.93 3.99 3.32 -1.93 -3.39 116.42 117.49 2w2w h ASP 96 Ca -0.40 -0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.00 2w2w h ASP 96 Cb 1.24 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2w2w h ASP 96 CO 0.68 0.25 -0.32 -0.54 -1.72 0.00 0.00 179.24 177.59 2w2w s LYS 97 N -2.48 3.69 0.35 3.56 -0.14 -1.26 -4.88 119.74 118.57 2w2w s LYS 97 Ca -0.05 0.11 0.04 0.00 -1.36 0.00 0.00 55.97 54.71 2w2w s LYS 97 Cb 0.00 -3.12 0.68 0.00 -1.68 0.00 0.00 37.83 33.72 2w2w s LYS 97 CO 0.15 0.66 1.95 -0.24 -0.76 0.00 0.00 175.35 177.11 2w2w h VAL 98 N 3.34 1.04 -0.98 3.17 3.04 -1.98 -1.82 116.25 122.06 2w2w h VAL 98 Ca -0.51 -0.28 0.04 0.00 -1.01 0.00 0.00 66.70 64.94 2w2w h VAL 98 Cb 1.21 0.13 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 2w2w h VAL 98 CO 0.63 0.15 0.64 1.05 -1.01 0.00 0.00 177.57 179.03 2w2w h GLU 99 N 0.83 1.18 0.07 4.17 9.09 -2.00 -1.99 114.58 125.93 2w2w h GLU 99 Ca 0.33 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.67 2w2w h GLU 99 Cb 0.23 -0.27 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2w2w h GLU 99 CO -0.11 0.78 -0.04 0.93 0.05 0.00 0.00 179.01 180.62 2w2w h GLU 100 N 1.22 -0.09 -0.87 1.06 5.08 -1.75 -0.54 114.58 118.67 2w2w h GLU 100 Ca 0.40 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 59.00 2w2w h GLU 100 Cb 0.05 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.18 2w2w h GLU 100 CO -0.14 0.01 0.26 1.25 -1.00 0.00 0.00 179.01 179.40 2w2w h LEU 101 N -0.18 0.06 0.86 1.33 5.85 -1.33 0.56 115.31 122.47 2w2w h LEU 101 Ca -0.01 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2w2w h LEU 101 Cb 0.15 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2w2w h LEU 101 CO 0.02 -0.13 -0.50 0.15 -0.34 0.00 0.00 178.44 177.64 2w2w h PHE 102 N 0.24 -1.32 -0.50 1.25 3.57 -0.61 0.11 116.94 119.68 2w2w h PHE 102 Ca 0.55 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.11 2w2w h PHE 102 Cb 1.10 0.46 -0.10 0.00 2.79 0.00 0.00 35.95 40.20 2w2w h PHE 102 CO -0.24 -0.75 -0.41 0.93 -2.23 0.00 0.00 178.31 175.61 2w2w h GLU 103 N -1.26 -0.25 0.25 1.11 5.08 0.60 -0.74 114.58 119.38 2w2w h GLU 103 Ca -0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2w2w h GLU 103 Cb 1.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2w2w h GLU 103 CO 0.14 -0.16 -0.25 -1.49 -1.00 0.00 0.00 179.01 176.24 2w2w h TRP 104 N -0.26 -0.67 -0.65 4.33 4.06 -1.05 -1.86 115.95 119.85 2w2w h TRP 104 Ca 0.17 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.25 2w2w h TRP 104 Cb 0.57 0.26 -0.09 0.00 -1.00 0.00 0.00 29.16 28.90 2w2w h TRP 104 CO -0.65 -0.37 0.16 0.35 -3.56 0.00 0.00 178.44 174.37 2w2w h PHE 105 N -0.54 0.26 0.39 0.49 -0.00 0.21 -1.37 116.94 116.38 2w2w h PHE 105 Ca -0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 58.00 2w2w h PHE 105 Cb 0.50 -0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 36.41 2w2w h PHE 105 CO -0.17 -0.03 -0.38 1.96 -0.00 0.00 0.00 178.31 179.70 2w2w h GLN 106 N 0.29 -0.76 -0.52 1.11 1.08 -0.88 -1.91 115.11 113.53 2w2w h GLN 106 Ca 0.35 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.71 2w2w h GLN 106 Cb 0.54 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 28.04 2w2w h GLN 106 CO -0.43 -0.50 -0.11 0.77 -0.95 0.00 0.00 178.83 177.61 2w2w h SER 107 N -0.78 -0.45 -0.55 1.46 0.02 -0.45 0.56 113.55 113.36 2w2w h SER 107 Ca -0.03 0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2w2w h SER 107 Cb 0.70 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2w2w h SER 107 CO -0.06 -0.16 0.03 0.40 -1.14 0.00 0.00 176.83 175.91 2w2w h ILE 108 N 0.01 1.26 0.02 3.27 2.04 -1.15 -2.97 117.51 119.98 2w2w h ILE 108 Ca 0.25 -1.07 -0.21 0.00 1.00 0.00 0.00 64.86 64.84 2w2w h ILE 108 Cb 0.39 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2w2w h ILE 108 CO -0.52 0.39 -0.93 -0.09 0.00 0.00 0.00 178.15 176.99 2w2w h ARG 109 N 0.91 0.16 -0.12 2.37 2.43 -0.69 -1.82 114.38 117.63 2w2w h ARG 109 Ca 0.17 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2w2w h ARG 109 Cb 0.49 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2w2w h ARG 109 CO 0.02 0.98 0.00 0.39 -1.51 0.00 0.00 179.97 179.85 2w2w n GLU 110 N -3.59 0.27 0.00 0.20 1.02 0.13 -2.30 120.64 116.36 2w2w n GLU 110 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2w2w n GLU 110 Cb 0.85 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2w2w n GLU 110 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2w2w n ILE 111 N -0.11 0.00 1.54 -3.67 5.41 -0.98 -5.04 119.36 116.51 2w2w n ILE 111 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 2w2w n ILE 111 Cb 0.03 -0.12 0.56 0.00 -0.71 0.00 0.00 39.64 39.40 2w2w n ILE 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90