#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 4.03 -0.30 -1.58 2.00 -1.26 -5.05 119.66 117.51 2w2w s GLN 8 Ca 0.00 -0.24 -0.25 0.00 -2.00 0.00 0.00 55.36 52.87 2w2w s GLN 8 Cb 0.00 -3.33 0.19 0.00 0.80 0.00 0.00 33.01 30.67 2w2w s GLN 8 CO 0.00 0.36 1.43 -1.14 -0.50 0.00 0.00 175.29 175.44 2w2w s GLN 9 N 0.17 0.08 0.00 1.67 -0.44 -1.26 -1.46 119.66 118.41 2w2w s GLN 9 Ca 0.08 0.09 0.00 0.00 -2.50 0.00 0.00 55.36 53.03 2w2w s GLN 9 Cb -0.11 0.04 0.00 0.00 -1.64 0.00 0.00 33.01 31.29 2w2w s GLN 9 CO -0.01 -0.01 0.00 0.41 0.50 0.00 0.00 175.29 176.18 2w2w n GLY 10 N 1.59 -1.23 3.80 2.59 0.00 -0.86 -5.02 105.19 106.05 2w2w n GLY 10 Ca -0.10 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.09 4.42 0.04 1.61 -1.05 -1.26 -1.42 118.70 120.96 2w2w s GLU 11 Ca 0.00 1.14 -0.02 0.00 -0.15 0.00 0.00 54.97 55.94 2w2w s GLU 11 Cb 0.00 -2.73 -0.03 0.00 -0.44 0.00 0.00 34.13 30.93 2w2w s GLU 11 CO 0.00 0.27 0.00 -0.51 0.95 0.00 0.00 175.26 175.97 2w2w s LEU 12 N -2.21 2.28 0.07 1.83 1.43 0.23 -4.91 118.68 117.39 2w2w s LEU 12 Ca 0.50 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2w2w s LEU 12 Cb -0.16 0.28 -0.06 0.00 0.03 0.00 0.00 46.19 46.28 2w2w s LEU 12 CO 0.21 -0.53 0.48 -0.31 0.23 0.00 0.00 176.35 176.44 2w2w s TYR 13 N -3.21 3.69 0.03 0.29 1.51 0.56 -0.83 117.35 119.40 2w2w s TYR 13 Ca 0.00 1.05 0.07 0.00 -1.01 0.00 0.00 57.07 57.18 2w2w s TYR 13 Cb 0.03 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 2w2w s TYR 13 CO -0.07 0.55 -0.22 -1.64 -1.11 0.00 0.00 175.55 173.06 2w2w s MET 14 N -1.46 1.50 -0.34 -0.62 -1.94 -0.06 -1.27 119.30 115.13 2w2w s MET 14 Ca 0.30 -0.93 -0.18 0.00 -1.71 0.00 0.00 55.69 53.17 2w2w s MET 14 Cb -0.16 -1.60 -0.01 0.00 2.01 0.00 0.00 34.83 35.07 2w2w s MET 14 CO 0.17 0.41 0.52 -0.46 -0.01 0.00 0.00 175.02 175.65 2w2w s TRP 15 N -0.74 3.19 -0.52 -0.03 -0.00 -0.86 -1.42 118.94 118.56 2w2w s TRP 15 Ca 0.08 0.26 -0.19 0.00 -0.00 0.00 0.00 56.10 56.24 2w2w s TRP 15 Cb -0.09 -2.91 0.06 0.00 -0.00 0.00 0.00 33.47 30.53 2w2w s TRP 15 CO 0.01 -0.51 0.66 0.34 -0.00 0.00 0.00 176.95 177.45 2w2w s ASP 16 N 1.73 6.23 0.00 5.86 2.15 -0.96 -4.74 116.67 126.94 2w2w s ASP 16 Ca 0.19 -0.93 0.09 0.00 0.43 0.00 0.00 52.55 52.33 2w2w s ASP 16 Cb -0.15 -2.30 0.54 0.00 -0.30 0.00 0.00 42.92 40.70 2w2w s ASP 16 CO 0.13 -0.94 0.97 -1.54 -0.17 0.00 0.00 175.17 173.62 2w2w n SER 17 N 6.28 0.00 -0.01 -0.34 3.41 -1.26 -1.75 113.62 119.96 2w2w n SER 17 Ca -0.06 -0.33 -0.01 0.00 -0.26 0.00 0.00 58.87 58.21 2w2w n SER 17 Cb 0.45 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.96 0.16 0.76 -1.33 -0.00 -1.26 -4.38 119.36 112.35 2w2w n ILE 18 Ca 0.07 0.46 0.07 0.00 -0.00 0.00 0.00 62.75 63.35 2w2w n ILE 18 Cb 0.03 -1.60 0.38 0.00 -0.00 0.00 0.00 39.64 38.45 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 -2.61 0.00 -3.97 4.38 10.43 -1.22 -4.86 116.55 118.69 2w2w n ASP 19 Ca -0.01 -0.18 -0.27 0.00 2.57 0.00 0.00 54.79 56.90 2w2w n ASP 19 Cb 0.04 -0.14 -0.02 0.00 1.84 0.00 0.00 41.12 42.85 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 -1.14 -3.50 -3.93 -1.24 1.13 -0.72 -4.98 117.38 103.01 2w2w n GLN 20 Ca 0.09 0.42 -0.09 0.00 -1.94 0.00 0.00 57.00 55.48 2w2w n GLN 20 Cb 0.08 -4.70 -0.09 0.00 0.11 0.00 0.00 30.24 25.64 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 -6.57 0.68 0.12 -1.09 -0.14 -1.22 -5.02 119.74 106.49 2w2w s LYS 21 Ca 0.14 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.67 2w2w s LYS 21 Cb -0.07 0.27 -0.07 0.00 -1.68 0.00 0.00 37.83 36.27 2w2w s LYS 21 CO 0.89 -0.18 0.59 -1.58 -0.76 0.00 0.00 175.35 174.30 2w2w s TRP 22 N -3.25 3.73 0.10 3.18 0.52 -1.26 -2.27 118.94 119.69 2w2w s TRP 22 Ca 0.00 1.23 0.06 0.00 0.02 0.00 0.00 56.10 57.42 2w2w s TRP 22 Cb 0.02 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 2w2w s TRP 22 CO -0.08 0.51 -0.16 0.95 0.02 0.00 0.00 176.95 178.19 2w2w s THR 23 N -1.27 1.35 -0.23 2.01 -4.23 -0.51 -4.93 115.64 107.83 2w2w s THR 23 Ca 0.34 -1.53 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 2w2w s THR 23 Cb -0.18 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 2w2w s THR 23 CO 0.19 -0.26 0.42 -0.13 -0.54 0.00 0.00 174.62 174.30 2w2w s ARG 24 N -2.16 4.12 0.04 3.99 0.52 -1.26 -0.88 118.95 123.32 2w2w s ARG 24 Ca 0.04 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.49 2w2w s ARG 24 Cb -0.08 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 2w2w s ARG 24 CO 0.03 -0.15 -0.11 -1.01 0.02 0.00 0.00 175.30 174.08 2w2w s HIS 25 N 1.66 0.96 -0.17 -0.53 3.76 -0.01 -1.08 115.29 119.89 2w2w s HIS 25 Ca 0.19 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.53 2w2w s HIS 25 Cb -0.15 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 2w2w s HIS 25 CO 0.09 -0.00 0.60 0.12 -0.85 0.00 0.00 174.74 174.70 2w2w s PHE 26 N -0.90 3.43 0.19 1.40 5.36 -1.26 -0.60 117.98 125.59 2w2w s PHE 26 Ca -0.02 0.95 0.08 0.00 -0.96 0.00 0.00 56.93 56.99 2w2w s PHE 26 Cb -0.08 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.81 2w2w s PHE 26 CO 0.01 -0.07 -0.17 0.00 -1.46 0.00 0.00 175.22 173.53 2w2w s ALA 28 N -2.44 -0.49 -0.20 0.00 0.00 -0.67 -2.04 121.76 115.92 2w2w s ALA 28 Ca 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2w2w s ALA 28 Cb -0.04 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2w2w s ALA 28 CO 0.07 -0.34 -0.16 0.42 0.00 0.00 0.00 175.76 175.75 2w2w s ILE 29 N -2.25 1.97 -0.02 0.00 1.01 -0.54 -0.85 121.20 120.54 2w2w s ILE 29 Ca -0.07 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.52 2w2w s ILE 29 Cb -0.02 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2w2w s ILE 29 CO -0.02 0.34 -0.12 0.00 0.00 0.00 0.00 174.94 175.13 2w2w s ALA 30 N 1.28 1.06 0.00 9.38 0.00 -0.77 -4.29 121.76 128.43 2w2w s ALA 30 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2w2w s ALA 30 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2w2w s ALA 30 CO -0.10 0.24 0.00 -0.25 0.00 0.00 0.00 175.76 175.65 2w2w n ASP 31 N 2.91 0.00 -1.19 0.00 10.43 -1.26 -0.52 116.55 126.92 2w2w n ASP 31 Ca -0.15 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.14 2w2w n ASP 31 Cb 0.55 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.65 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 11.74 4.26 -2.67 2.24 0.00 -1.26 -5.02 120.51 129.79 2w2w n ALA 32 Ca 0.00 -3.47 -0.28 0.00 0.00 0.00 0.00 53.44 49.69 2w2w n ALA 32 Cb 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.89 2w2w n ALA 32 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2w2w s LYS 33 N -3.38 1.89 -0.20 0.00 1.02 0.32 -0.99 119.74 118.40 2w2w s LYS 33 Ca 0.44 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 2w2w s LYS 33 Cb 0.39 -1.70 -0.00 0.00 -0.52 0.00 0.00 37.83 36.00 2w2w s LYS 33 CO -0.02 0.35 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.49 2w2w s LEU 34 N -0.22 2.65 -0.03 3.17 0.20 -0.21 -1.84 118.68 122.40 2w2w s LEU 34 Ca 0.01 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.37 2w2w s LEU 34 Cb -0.10 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 2w2w s LEU 34 CO 0.01 -0.00 0.00 -0.94 -0.29 0.00 0.00 176.35 175.13 2w2w s SER 35 N 1.35 5.16 -0.02 3.68 1.04 -0.03 -0.79 113.70 124.08 2w2w s SER 35 Ca 0.04 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2w2w s SER 35 Cb -0.14 -1.38 0.01 0.00 0.10 0.00 0.00 66.02 64.61 2w2w s SER 35 CO -0.06 0.31 -0.04 0.72 0.98 0.00 0.00 173.24 175.15 2w2w s PHE 36 N -1.02 0.55 0.64 5.02 -0.12 -0.87 -1.67 117.98 120.51 2w2w s PHE 36 Ca 0.18 -0.11 -0.06 0.00 -0.05 0.00 0.00 56.93 56.88 2w2w s PHE 36 Cb -0.11 -0.46 0.14 0.00 -0.63 0.00 0.00 43.02 41.95 2w2w s PHE 36 CO 0.08 -0.10 0.88 -1.13 -0.05 0.00 0.00 175.22 174.90 2w2w n SER 37 N 3.59 0.59 -4.85 1.98 3.41 -0.83 -1.80 113.62 115.70 2w2w n SER 37 Ca -0.21 -1.64 -0.29 0.00 -0.26 0.00 0.00 58.87 56.48 2w2w n SER 37 Cb 0.54 -0.62 0.10 0.00 -0.26 0.00 0.00 64.21 63.96 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 -4.38 4.30 -0.43 4.04 1.01 -0.92 -4.59 116.67 115.69 2w2w s ASP 38 Ca 0.54 0.93 -0.35 0.00 0.71 0.00 0.00 52.55 54.37 2w2w s ASP 38 Cb -0.02 -1.51 -0.13 0.00 1.01 0.00 0.00 42.92 42.27 2w2w s ASP 38 CO 0.37 -2.05 2.24 -0.67 0.21 0.00 0.00 175.17 175.27 2w2w n ASP 39 N -3.44 1.79 0.00 0.27 -0.08 -1.26 -4.64 116.55 109.20 2w2w n ASP 39 Ca 0.07 0.36 0.10 0.00 -1.51 0.00 0.00 54.79 53.82 2w2w n ASP 39 Cb 0.60 -1.21 0.55 0.00 2.34 0.00 0.00 41.12 43.40 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 7.18 0.21 0.01 5.18 -5.35 -0.24 -1.67 119.36 124.68 2w2w n ILE 40 Ca 0.45 0.05 -0.05 0.00 -0.27 0.00 0.00 62.75 62.93 2w2w n ILE 40 Cb 0.20 -0.73 -0.11 0.00 -1.74 0.00 0.00 39.64 37.25 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 -0.52 6.28 5.08 -1.86 -3.37 114.58 120.19 2w2w h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2w2w h GLU 41 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2w2w h GLU 41 CO 0.00 0.45 0.00 1.04 -1.00 0.00 0.00 179.01 179.50 2w2w n GLN 42 N -3.02 0.63 0.00 2.33 6.02 -0.67 -5.19 117.38 117.48 2w2w n GLN 42 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 2w2w n GLN 42 Cb 0.96 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.96 2w2w n GLN 42 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2w2w n THR 43 N 0.07 0.00 -4.30 5.09 -1.04 -1.26 -4.94 114.28 107.90 2w2w n THR 43 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2w2w n THR 43 Cb 0.13 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.56 2w2w n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2w2w n PRO 49 N 0.00 -1.35 0.00 -2.82 -0.05 -1.26 -5.10 135.00 124.41 2w2w n PRO 49 Ca 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 63.50 63.61 2w2w n PRO 49 Cb 0.00 -3.98 0.00 0.00 -0.05 0.00 0.00 33.50 29.47 2w2w n PRO 49 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2w2w n LEU 50 N -4.47 0.00 0.00 1.53 -0.00 -1.26 -4.69 117.00 108.12 2w2w n LEU 50 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2w2w n LEU 50 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 2w2w n LEU 50 CO 0.86 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.86 2w2w n GLY 51 N 0.00 -2.26 0.00 -3.96 0.00 -1.26 -5.18 105.19 92.53 2w2w n GLY 51 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2w2w n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2w2w n SER 52 N 0.00 0.00 -1.06 1.61 2.88 -1.26 -4.98 113.62 110.81 2w2w n SER 52 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2w2w n SER 52 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 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 3.05 -2.70 2.46 0.00 -1.26 -2.17 117.00 116.38 2w2w n LEU 53 Ca 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 56.01 54.41 2w2w n LEU 53 Cb 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 43.42 43.07 2w2w n LEU 53 CO 0.00 0.54 0.49 0.00 0.00 0.00 0.00 177.39 178.42 2w2w n ARG 55 N 0.08 0.01 -3.55 0.00 3.00 -0.75 -4.75 116.66 110.71 2w2w n ARG 55 Ca -0.02 0.32 -0.12 0.00 -0.00 0.00 0.00 57.85 58.03 2w2w n ARG 55 Cb 0.74 -1.53 -0.05 0.00 0.00 0.00 0.00 32.46 31.62 2w2w n ARG 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2w2w s GLY 56 N -3.04 -0.38 -0.03 5.14 0.00 -1.10 -5.04 107.32 102.87 2w2w s GLY 56 Ca 0.05 1.69 0.00 0.00 0.00 0.00 0.00 44.72 46.47 2w2w s GLY 56 CO 0.22 0.92 -0.00 -0.42 0.00 0.00 0.00 173.10 173.81 2w2w s ILE 57 N -1.40 0.23 -0.09 0.90 1.01 -1.26 -2.04 121.20 118.54 2w2w s ILE 57 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 2w2w s ILE 57 Cb -0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 2w2w s ILE 57 CO 0.03 0.16 -0.07 -0.76 0.00 0.00 0.00 174.94 174.30 2w2w s LEU 58 N 1.10 3.10 -0.58 2.97 1.43 0.03 -4.94 118.68 121.79 2w2w s LEU 58 Ca -0.09 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 2w2w s LEU 58 Cb -0.14 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.46 2w2w s LEU 58 CO -0.02 0.29 0.81 -0.62 0.23 0.00 0.00 176.35 177.04 2w2w s ASP 59 N -0.38 6.22 0.55 2.29 -1.08 -1.26 -1.05 116.67 121.95 2w2w s ASP 59 Ca 0.05 -0.96 0.22 0.00 -0.52 0.00 0.00 52.55 51.35 2w2w s ASP 59 Cb -0.12 -2.36 1.48 0.00 -1.46 0.00 0.00 42.92 40.45 2w2w s ASP 59 CO 0.02 -1.18 2.15 -0.07 0.52 0.00 0.00 175.17 176.61 2w2w h LEU 60 N 10.51 0.00 -2.07 -1.34 3.38 -1.43 0.94 115.31 125.30 2w2w h LEU 60 Ca -0.28 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.79 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 1.09 0.00 0.31 0.78 0.09 0.00 0.00 178.44 180.70 2w2w h ASN 61 N 0.00 0.00 0.39 -0.43 2.35 -1.89 -0.22 115.58 115.78 2w2w h ASN 61 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2w2w h ASN 61 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2w2w h ASN 61 CO -0.00 0.00 -0.65 0.35 -1.65 0.00 0.00 177.43 175.48 2w2w n THR 62 N -4.08 0.02 -3.93 2.81 -2.24 0.32 -4.95 114.28 102.24 2w2w n THR 62 Ca 0.06 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 2w2w n THR 62 Cb 0.48 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -3.02 2.57 0.09 4.78 1.51 -0.10 -0.66 117.35 122.53 2w2w s TYR 63 Ca 0.10 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 2w2w s TYR 63 Cb 0.17 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2w2w s TYR 63 CO 0.75 0.04 -0.09 -0.80 -1.11 0.00 0.00 175.55 174.33 2w2w s ASN 64 N -4.01 1.32 -0.22 2.29 0.02 0.03 -4.85 114.94 109.54 2w2w s ASN 64 Ca 0.43 -0.84 -0.03 0.00 -1.02 0.00 0.00 52.86 51.39 2w2w s ASN 64 Cb 0.01 0.03 -0.01 0.00 0.02 0.00 0.00 41.25 41.31 2w2w s ASN 64 CO 0.24 -0.31 -0.06 0.68 0.02 0.00 0.00 177.10 177.67 2w2w s VAL 65 N -2.68 3.25 0.12 1.60 -7.23 -1.26 -0.99 120.40 113.21 2w2w s VAL 65 Ca 0.06 -0.54 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 2w2w s VAL 65 Cb -0.01 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2w2w s VAL 65 CO -0.01 0.44 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.46 2w2w s VAL 66 N 1.44 3.56 0.11 1.32 1.01 -0.72 -4.97 120.40 122.15 2w2w s VAL 66 Ca 0.05 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.80 2w2w s VAL 66 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2w2w s VAL 66 CO -0.04 0.06 0.14 -0.75 0.00 0.00 0.00 175.10 174.51 2w2w s LYS 67 N -2.40 3.05 -0.42 2.72 2.20 -1.26 -0.95 119.74 122.67 2w2w s LYS 67 Ca 0.24 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 55.10 2w2w s LYS 67 Cb -0.11 -2.78 0.11 0.00 -1.51 0.00 0.00 37.83 33.54 2w2w s LYS 67 CO 0.16 0.54 0.24 0.00 -0.36 0.00 0.00 175.35 175.93 2w2w s ALA 68 N -1.57 3.23 0.12 3.13 0.00 -1.03 -4.95 121.76 120.68 2w2w s ALA 68 Ca 0.31 -2.47 -0.27 0.00 0.00 0.00 0.00 51.96 49.53 2w2w s ALA 68 Cb -0.11 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.39 2w2w s ALA 68 CO 0.24 -1.80 1.63 -1.35 0.00 0.00 0.00 175.76 174.49 2w2w h PRO 69 N 8.20 -0.44 0.00 0.00 0.11 -1.95 -0.03 132.00 137.89 2w2w h PRO 69 Ca -0.17 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2w2w h PRO 69 Cb 1.06 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2w2w h PRO 69 CO 0.75 -0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 2w2w n GLN 70 N -5.38 0.11 0.00 1.05 0.00 -1.26 -5.00 117.38 106.90 2w2w n GLN 70 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 57.00 57.36 2w2w n GLN 70 Cb 0.29 -1.74 0.00 0.00 0.00 0.00 0.00 30.24 28.79 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 -0.39 -1.81 3.62 2.61 0.00 -0.03 -4.96 105.19 104.22 2w2w n GLY 71 Ca 0.02 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 0.68 -1.41 1.61 2.20 -1.00 -4.93 119.74 116.89 2w2w s LYS 72 Ca 0.00 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.19 2w2w s LYS 72 Cb 0.00 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 2w2w s LYS 72 CO 0.00 -0.12 0.34 0.09 -0.36 0.00 0.00 175.35 175.30 2w2w n ASN 73 N 2.04 -0.64 -0.75 1.43 3.02 -1.26 -1.20 115.26 117.89 2w2w n ASN 73 Ca -0.13 -1.12 -0.10 0.00 -0.03 0.00 0.00 54.58 53.20 2w2w n ASN 73 Cb 0.56 -2.50 -0.04 0.00 -0.61 0.00 0.00 39.78 37.19 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 -4.50 -1.33 -4.67 3.52 10.64 -1.26 -4.98 117.38 114.79 2w2w n GLN 74 Ca -0.28 0.80 -0.33 0.00 -1.83 0.00 0.00 57.00 55.36 2w2w n GLN 74 Cb 0.67 -5.00 -0.13 0.00 -0.86 0.00 0.00 30.24 24.93 2w2w n GLN 74 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2w2w s LYS 75 N -2.66 3.08 0.10 2.61 -0.14 -0.34 -5.05 119.74 117.34 2w2w s LYS 75 Ca 0.00 -0.61 -0.09 0.00 -1.36 0.00 0.00 55.97 53.91 2w2w s LYS 75 Cb 0.00 -2.63 -0.18 0.00 -1.68 0.00 0.00 37.83 33.34 2w2w s LYS 75 CO 0.00 0.44 1.23 0.77 -0.76 0.00 0.00 175.35 177.03 2w2w h SER 76 N 5.99 0.71 -3.72 2.83 0.02 -1.88 -2.64 113.55 114.86 2w2w h SER 76 Ca -0.38 -0.59 -0.65 0.00 -0.84 0.00 0.00 61.79 59.33 2w2w h SER 76 Cb 1.18 -0.22 -0.39 0.00 0.14 0.00 0.00 62.40 63.12 2w2w h SER 76 CO 0.55 1.39 -0.76 -0.36 -1.14 0.00 0.00 176.83 176.51 2w2w s PHE 77 N -3.24 3.23 0.03 3.45 0.08 -1.26 -4.37 117.98 115.91 2w2w s PHE 77 Ca -0.08 -2.47 0.01 0.00 0.12 0.00 0.00 56.93 54.51 2w2w s PHE 77 Cb 0.08 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2w2w s PHE 77 CO 0.90 -0.89 -0.06 0.14 -0.10 0.00 0.00 175.22 175.21 2w2w s VAL 78 N 1.10 0.34 0.18 -0.44 -7.23 -1.26 -1.30 120.40 111.79 2w2w s VAL 78 Ca 0.01 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 2w2w s VAL 78 Cb -0.19 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2w2w s VAL 78 CO -0.08 -0.43 -0.18 0.72 -0.31 0.00 0.00 175.10 174.83 2w2w s PHE 79 N -1.39 1.82 -0.06 2.82 -0.71 -0.76 -2.47 117.98 117.23 2w2w s PHE 79 Ca -0.12 -0.48 0.02 0.00 -1.04 0.00 0.00 56.93 55.31 2w2w s PHE 79 Cb -0.10 -0.89 0.01 0.00 -1.21 0.00 0.00 43.02 40.83 2w2w s PHE 79 CO -0.00 0.35 -0.13 0.42 -1.34 0.00 0.00 175.22 174.52 2w2w s ILE 80 N -2.24 1.17 -0.61 -4.49 1.01 -0.13 -1.62 121.20 114.29 2w2w s ILE 80 Ca 0.18 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 2w2w s ILE 80 Cb -0.05 -1.06 0.10 0.00 0.01 0.00 0.00 42.46 41.46 2w2w s ILE 80 CO 0.07 0.36 0.77 -0.76 0.00 0.00 0.00 174.94 175.38 2w2w s LEU 81 N 0.58 5.16 -0.15 2.97 1.02 -0.38 -1.76 118.68 126.13 2w2w s LEU 81 Ca -0.13 -1.35 -0.06 0.00 0.02 0.00 0.00 54.13 52.61 2w2w s LEU 81 Cb -0.15 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 2w2w s LEU 81 CO 0.04 -1.19 0.06 -1.83 0.02 0.00 0.00 176.35 173.45 2w2w s GLU 82 N 3.00 3.63 0.61 1.70 -1.05 -0.16 -2.01 118.70 124.42 2w2w s GLU 82 Ca 0.14 -0.32 -0.13 0.00 -0.15 0.00 0.00 54.97 54.52 2w2w s GLU 82 Cb -0.22 -3.10 -0.03 0.00 -0.44 0.00 0.00 34.13 30.33 2w2w s GLU 82 CO 0.07 0.48 1.03 -2.14 0.95 0.00 0.00 175.26 175.65 2w2w s PRO 83 N -0.22 3.45 -0.52 -4.83 0.02 -1.26 -0.79 135.00 130.85 2w2w s PRO 83 Ca 0.08 0.92 0.03 0.00 0.02 0.00 0.00 61.00 62.05 2w2w s PRO 83 Cb -0.12 -2.06 0.41 0.00 0.02 0.00 0.00 34.50 32.75 2w2w s PRO 83 CO 0.01 -0.69 1.38 1.63 -0.33 0.00 0.00 177.00 179.01 2w2w n LYS 84 N -2.51 3.27 0.00 5.54 4.76 0.17 -4.81 118.16 124.58 2w2w n LYS 84 Ca 0.07 -4.16 0.00 0.00 -2.87 0.00 0.00 58.31 51.35 2w2w n LYS 84 Cb 0.54 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 2w2w n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2w2w n GLY 87 N -0.56 -1.77 0.91 0.72 0.00 -1.26 -5.06 105.19 98.18 2w2w n GLY 87 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2w2w n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w2w n ASP 88 N 0.00 -1.22 -0.14 1.61 4.64 -1.26 -5.03 116.55 115.16 2w2w n ASP 88 Ca 0.00 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.40 2w2w n ASP 88 Cb 0.00 -0.33 0.00 0.00 -1.04 0.00 0.00 41.12 39.76 2w2w n ASP 88 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2w2w n PRO 89 N -0.89 0.00 -2.62 -0.67 -0.02 -1.26 -4.54 135.00 125.00 2w2w n PRO 89 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 2w2w n PRO 89 Cb 0.30 -0.03 -0.05 0.00 -0.02 0.00 0.00 33.50 33.70 2w2w n PRO 89 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2w2w s PRO 90 N -0.07 4.53 -0.22 0.52 0.02 -1.26 -4.69 135.00 133.83 2w2w s PRO 90 Ca 0.01 1.54 -0.10 0.00 0.02 0.00 0.00 61.00 62.48 2w2w s PRO 90 Cb -0.00 -2.92 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 2w2w s PRO 90 CO 0.03 0.18 0.13 0.08 -0.33 0.00 0.00 177.00 177.09 2w2w s VAL 91 N -1.42 5.17 -0.26 3.83 1.01 -0.85 -4.98 120.40 122.88 2w2w s VAL 91 Ca 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 2w2w s VAL 91 Cb -0.25 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2w2w s VAL 91 CO 0.31 0.38 0.01 -1.61 0.00 0.00 0.00 175.10 174.19 2w2w s GLU 92 N 0.88 3.10 0.21 2.72 2.02 -1.26 -1.25 118.70 125.12 2w2w s GLU 92 Ca 0.07 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.29 2w2w s GLU 92 Cb -0.13 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2w2w s GLU 92 CO 0.03 -0.36 0.14 -0.06 0.02 0.00 0.00 175.26 175.02 2w2w s PHE 93 N 1.45 3.08 0.03 1.61 0.40 -0.64 -2.02 117.98 121.89 2w2w s PHE 93 Ca 0.03 -0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.12 2w2w s PHE 93 Cb -0.16 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 41.96 2w2w s PHE 93 CO -0.01 0.53 0.35 0.00 0.70 0.00 0.00 175.22 176.79 2w2w s ALA 94 N -1.94 -0.84 0.28 5.36 0.00 -0.39 -1.82 121.76 122.40 2w2w s ALA 94 Ca 0.31 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2w2w s ALA 94 Cb -0.09 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 2w2w s ALA 94 CO 0.23 -0.39 0.01 0.95 0.00 0.00 0.00 175.76 176.56 2w2w s THR 95 N -2.18 1.25 -0.07 0.00 -4.23 -0.42 -0.32 115.64 109.68 2w2w s THR 95 Ca -0.07 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 2w2w s THR 95 Cb -0.02 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 2w2w s THR 95 CO -0.01 -0.19 0.50 0.44 -0.54 0.00 0.00 174.62 174.83 2w2w h ASP 96 N 2.28 -0.23 -2.90 3.99 3.32 -1.93 -3.39 116.42 117.57 2w2w h ASP 96 Ca -0.40 -0.14 -0.63 0.00 0.02 0.00 0.00 57.03 55.89 2w2w h ASP 96 Cb 1.23 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2w2w h ASP 96 CO 0.67 0.29 -0.39 -0.54 -1.72 0.00 0.00 179.24 177.55 2w2w s LYS 97 N -2.73 3.58 0.32 3.56 1.02 -1.26 -4.89 119.74 119.33 2w2w s LYS 97 Ca -0.07 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 55.87 2w2w s LYS 97 Cb 0.00 -3.09 0.58 0.00 -0.52 0.00 0.00 37.83 34.80 2w2w s LYS 97 CO 0.25 0.65 1.92 -0.24 -0.92 0.00 0.00 175.35 177.02 2w2w h VAL 98 N 3.09 1.06 -0.91 3.17 3.04 -1.98 -1.90 116.25 121.82 2w2w h VAL 98 Ca -0.50 -0.33 0.03 0.00 -1.01 0.00 0.00 66.70 64.89 2w2w h VAL 98 Cb 1.20 0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 30.44 2w2w h VAL 98 CO 0.66 0.18 0.60 1.05 -1.01 0.00 0.00 177.57 179.04 2w2w h GLU 99 N 0.97 1.12 0.22 4.17 9.09 -1.99 -2.12 114.58 126.03 2w2w h GLU 99 Ca 0.37 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.70 2w2w h GLU 99 Cb 0.20 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 27.05 2w2w h GLU 99 CO -0.13 0.74 -0.10 0.93 0.05 0.00 0.00 179.01 180.49 2w2w h GLU 100 N 1.15 -0.28 -0.90 1.06 5.08 -1.76 -1.22 114.58 117.71 2w2w h GLU 100 Ca 0.36 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.99 2w2w h GLU 100 Cb 0.00 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.17 2w2w h GLU 100 CO -0.11 -0.15 0.25 1.25 -1.00 0.00 0.00 179.01 179.25 2w2w h LEU 101 N -0.33 -0.00 -0.83 1.33 5.85 -1.26 0.27 115.31 120.33 2w2w h LEU 101 Ca -0.03 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2w2w h LEU 101 Cb 0.26 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2w2w h LEU 101 CO 0.05 -0.19 0.29 0.15 -0.34 0.00 0.00 178.44 178.41 2w2w h PHE 102 N 0.19 1.18 0.55 1.25 3.57 -0.70 0.22 116.94 123.19 2w2w h PHE 102 Ca 0.58 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.96 2w2w h PHE 102 Cb 1.20 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 39.60 2w2w h PHE 102 CO -0.26 0.90 -0.26 0.93 -2.23 0.00 0.00 178.31 177.39 2w2w h GLU 103 N 1.13 -0.71 -0.50 1.11 5.08 0.62 -2.50 114.58 118.81 2w2w h GLU 103 Ca 0.26 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.76 2w2w h GLU 103 Cb 0.23 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2w2w h GLU 103 CO -0.02 -0.40 0.05 -1.49 -1.00 0.00 0.00 179.01 176.15 2w2w h TRP 104 N -1.00 0.07 0.06 4.33 4.06 -1.04 -1.43 115.95 120.99 2w2w h TRP 104 Ca -0.07 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.92 2w2w h TRP 104 Cb 0.63 0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.82 2w2w h TRP 104 CO 0.00 -0.06 -0.27 0.35 -3.56 0.00 0.00 178.44 174.90 2w2w h PHE 105 N 0.17 -0.79 -0.68 0.49 3.57 -0.97 -1.20 116.94 117.54 2w2w h PHE 105 Ca 0.25 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.88 2w2w h PHE 105 Cb 0.37 0.34 -0.12 0.00 2.79 0.00 0.00 35.95 39.33 2w2w h PHE 105 CO -0.27 -0.31 -0.40 1.96 -2.23 0.00 0.00 178.31 177.06 2w2w h GLN 106 N -0.38 -0.15 -0.36 1.11 1.08 -0.94 -1.22 115.11 114.25 2w2w h GLN 106 Ca -0.00 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2w2w h GLN 106 Cb 0.39 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 2w2w h GLN 106 CO -0.15 -0.10 -0.07 0.77 -0.95 0.00 0.00 178.83 178.33 2w2w h SER 107 N -0.16 -0.30 -0.62 1.46 0.02 -0.57 0.25 113.55 113.64 2w2w h SER 107 Ca 0.23 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 2w2w h SER 107 Cb 0.56 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 2w2w h SER 107 CO -0.75 -0.10 0.12 0.40 -1.14 0.00 0.00 176.83 175.36 2w2w h ILE 108 N 0.02 1.26 -0.02 3.27 2.04 -0.08 -2.94 117.51 121.06 2w2w h ILE 108 Ca 0.17 -0.98 -0.20 0.00 1.00 0.00 0.00 64.86 64.86 2w2w h ILE 108 Cb 0.26 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2w2w h ILE 108 CO -0.36 0.37 -0.83 -0.09 0.00 0.00 0.00 178.15 177.24 2w2w h ARG 109 N 0.98 0.29 -0.20 2.37 2.43 -0.79 -1.66 114.38 117.80 2w2w h ARG 109 Ca 0.20 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2w2w h ARG 109 Cb 0.39 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2w2w h ARG 109 CO 0.01 0.97 0.00 0.39 -1.51 0.00 0.00 179.97 179.83 2w2w n GLU 110 N -3.74 0.28 0.00 0.20 1.02 0.02 -2.01 120.64 116.41 2w2w n GLU 110 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2w2w n GLU 110 Cb 0.77 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 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 0.13 0.00 1.57 -3.67 5.41 -0.94 -5.04 119.36 116.82 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 0.05 -0.06 0.58 0.00 -0.71 0.00 0.00 39.64 39.51 2w2w n ILE 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90