#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 4.04 -0.28 -1.58 2.00 -1.26 -5.05 119.66 117.52 2w2w s GLN 8 Ca 0.00 -0.24 -0.27 0.00 -2.00 0.00 0.00 55.36 52.85 2w2w s GLN 8 Cb 0.00 -3.34 0.18 0.00 0.80 0.00 0.00 33.01 30.65 2w2w s GLN 8 CO 0.00 0.35 1.35 -1.14 -0.50 0.00 0.00 175.29 175.36 2w2w s GLN 9 N 0.19 0.13 0.00 1.67 -0.44 -1.26 -1.90 119.66 118.05 2w2w s GLN 9 Ca 0.08 0.11 0.00 0.00 -2.50 0.00 0.00 55.36 53.04 2w2w s GLN 9 Cb -0.11 0.06 0.00 0.00 -1.64 0.00 0.00 33.01 31.32 2w2w s GLN 9 CO -0.01 -0.03 0.00 0.41 0.50 0.00 0.00 175.29 176.17 2w2w n GLY 10 N 1.27 -1.27 3.82 2.59 0.00 -0.77 -5.02 105.19 105.81 2w2w n GLY 10 Ca -0.07 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.43 4.20 0.06 1.61 -1.05 -1.26 -1.24 118.70 120.59 2w2w s GLU 11 Ca 0.00 0.93 -0.05 0.00 -0.15 0.00 0.00 54.97 55.70 2w2w s GLU 11 Cb 0.00 -2.49 -0.02 0.00 -0.44 0.00 0.00 34.13 31.18 2w2w s GLU 11 CO 0.00 0.16 0.07 -0.51 0.95 0.00 0.00 175.26 175.94 2w2w s LEU 12 N -2.73 1.97 0.06 1.83 1.43 -0.09 -4.91 118.68 116.24 2w2w s LEU 12 Ca 0.54 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2w2w s LEU 12 Cb -0.12 0.59 -0.06 0.00 0.03 0.00 0.00 46.19 46.63 2w2w s LEU 12 CO 0.18 -0.64 0.42 -0.31 0.23 0.00 0.00 176.35 176.23 2w2w s TYR 13 N -3.74 3.63 0.03 0.29 1.51 0.11 -0.99 117.35 118.19 2w2w s TYR 13 Ca 0.05 0.89 0.06 0.00 -1.01 0.00 0.00 57.07 57.06 2w2w s TYR 13 Cb 0.06 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2w2w s TYR 13 CO -0.10 0.55 -0.19 -1.64 -1.11 0.00 0.00 175.55 173.06 2w2w s MET 14 N -1.66 1.34 -0.35 -0.62 -1.94 0.09 -1.51 119.30 114.65 2w2w s MET 14 Ca 0.31 -0.83 -0.19 0.00 -1.71 0.00 0.00 55.69 53.27 2w2w s MET 14 Cb -0.15 -1.39 -0.00 0.00 2.01 0.00 0.00 34.83 35.30 2w2w s MET 14 CO 0.17 0.36 0.58 -0.46 -0.01 0.00 0.00 175.02 175.66 2w2w s TRP 15 N -0.70 3.17 -0.48 -0.03 -0.00 -0.77 -1.22 118.94 118.92 2w2w s TRP 15 Ca 0.06 0.30 -0.20 0.00 -0.00 0.00 0.00 56.10 56.27 2w2w s TRP 15 Cb -0.08 -3.04 0.04 0.00 -0.00 0.00 0.00 33.47 30.39 2w2w s TRP 15 CO 0.01 -0.58 0.63 0.34 -0.00 0.00 0.00 176.95 177.35 2w2w s ASP 16 N 1.76 6.26 0.00 5.86 2.15 -0.96 -4.75 116.67 127.00 2w2w s ASP 16 Ca 0.22 -0.65 0.11 0.00 0.43 0.00 0.00 52.55 52.67 2w2w s ASP 16 Cb -0.15 -2.30 0.64 0.00 -0.30 0.00 0.00 42.92 40.81 2w2w s ASP 16 CO 0.14 -0.84 1.17 -1.54 -0.17 0.00 0.00 175.17 173.93 2w2w n SER 17 N 6.22 0.00 0.00 -0.34 3.41 -1.26 -1.59 113.62 120.06 2w2w n SER 17 Ca -0.04 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2w2w n SER 17 Cb 0.47 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.11 0.00 0.88 -1.33 -0.00 -1.26 -4.35 119.36 112.19 2w2w n ILE 18 Ca 0.07 0.49 0.07 0.00 -0.00 0.00 0.00 62.75 63.39 2w2w n ILE 18 Cb 0.06 -1.48 0.43 0.00 -0.00 0.00 0.00 39.64 38.64 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 -2.30 0.00 -3.99 4.38 10.43 -1.23 -4.85 116.55 118.99 2w2w n ASP 19 Ca 0.00 -0.32 -0.27 0.00 2.57 0.00 0.00 54.79 56.76 2w2w n ASP 19 Cb 0.00 -0.08 -0.02 0.00 1.84 0.00 0.00 41.12 42.87 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 -1.08 -3.51 -3.96 -1.24 1.13 -0.62 -4.97 117.38 103.13 2w2w n GLN 20 Ca 0.10 0.42 -0.08 0.00 -1.94 0.00 0.00 57.00 55.50 2w2w n GLN 20 Cb 0.07 -4.73 -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 -6.60 0.65 0.18 -1.09 -0.14 -1.21 -5.02 119.74 106.51 2w2w s LYS 21 Ca 0.18 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.64 2w2w s LYS 21 Cb -0.10 0.25 -0.08 0.00 -1.68 0.00 0.00 37.83 36.22 2w2w s LYS 21 CO 0.89 -0.16 0.70 -1.58 -0.76 0.00 0.00 175.35 174.43 2w2w s TRP 22 N -3.30 3.73 0.09 3.18 0.52 -1.26 -2.26 118.94 119.64 2w2w s TRP 22 Ca 0.01 1.40 0.06 0.00 0.02 0.00 0.00 56.10 57.59 2w2w s TRP 22 Cb 0.03 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 2w2w s TRP 22 CO -0.08 0.42 -0.17 0.95 0.02 0.00 0.00 176.95 178.10 2w2w s THR 23 N -1.37 1.35 -0.23 2.01 -4.23 -0.35 -4.93 115.64 107.89 2w2w s THR 23 Ca 0.39 -1.42 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 2w2w s THR 23 Cb -0.18 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2w2w s THR 23 CO 0.22 -0.18 0.57 -0.13 -0.54 0.00 0.00 174.62 174.56 2w2w s ARG 24 N -1.87 4.15 0.03 3.99 0.52 -1.26 -0.73 118.95 123.77 2w2w s ARG 24 Ca 0.02 0.48 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 2w2w s ARG 24 Cb -0.10 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 2w2w s ARG 24 CO 0.03 -0.28 -0.14 -1.01 0.02 0.00 0.00 175.30 173.92 2w2w s HIS 25 N 2.08 1.22 -0.13 -0.53 3.76 -0.16 -1.34 115.29 120.19 2w2w s HIS 25 Ca 0.25 -0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 54.62 2w2w s HIS 25 Cb -0.16 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 2w2w s HIS 25 CO 0.09 0.02 0.68 0.12 -0.85 0.00 0.00 174.74 174.80 2w2w s PHE 26 N -0.71 3.48 0.17 1.40 5.36 -1.26 -0.91 117.98 125.51 2w2w s PHE 26 Ca 0.02 1.12 0.08 0.00 -0.96 0.00 0.00 56.93 57.19 2w2w s PHE 26 Cb -0.07 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.75 2w2w s PHE 26 CO 0.01 -0.04 -0.17 0.00 -1.46 0.00 0.00 175.22 173.56 2w2w s ALA 28 N -2.35 -0.70 -0.20 0.00 0.00 -0.58 -1.85 121.76 116.08 2w2w s ALA 28 Ca 0.17 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2w2w s ALA 28 Cb -0.04 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.33 2w2w s ALA 28 CO 0.06 -0.34 -0.14 0.42 0.00 0.00 0.00 175.76 175.76 2w2w s ILE 29 N -2.03 1.88 -0.02 0.00 1.01 -0.80 -0.69 121.20 120.56 2w2w s ILE 29 Ca -0.09 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 59.50 2w2w s ILE 29 Cb -0.03 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2w2w s ILE 29 CO -0.00 0.25 -0.14 0.00 0.00 0.00 0.00 174.94 175.05 2w2w s ALA 30 N 1.31 1.22 0.00 9.38 0.00 -0.84 -4.30 121.76 128.53 2w2w s ALA 30 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2w2w s ALA 30 Cb -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2w2w s ALA 30 CO -0.09 0.28 0.00 -0.25 0.00 0.00 0.00 175.76 175.70 2w2w n ASP 31 N 2.82 0.00 -1.08 0.00 10.43 -1.26 -0.49 116.55 126.98 2w2w n ASP 31 Ca -0.15 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.18 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 11.62 3.99 -2.66 2.24 0.00 -1.26 -5.03 120.51 129.41 2w2w n ALA 32 Ca 0.00 -3.40 -0.29 0.00 0.00 0.00 0.00 53.44 49.75 2w2w n ALA 32 Cb 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.22 2.07 -0.22 0.00 0.00 0.36 -0.98 119.74 117.75 2w2w s LYS 33 Ca 0.41 -0.78 -0.02 0.00 0.00 0.00 0.00 55.97 55.58 2w2w s LYS 33 Cb 0.38 -1.84 0.01 0.00 0.00 0.00 0.00 37.83 36.38 2w2w s LYS 33 CO -0.04 0.38 -0.08 -1.17 0.00 0.00 0.00 175.35 174.44 2w2w s LEU 34 N -0.23 2.81 -0.03 2.77 0.20 0.05 -1.99 118.68 122.25 2w2w s LEU 34 Ca 0.01 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.27 2w2w s LEU 34 Cb -0.11 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2w2w s LEU 34 CO 0.02 -0.04 0.01 -0.94 -0.29 0.00 0.00 176.35 175.11 2w2w s SER 35 N 1.41 5.24 -0.02 3.68 1.04 0.13 -0.62 113.70 124.55 2w2w s SER 35 Ca 0.04 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.55 2w2w s SER 35 Cb -0.15 -1.42 0.02 0.00 0.10 0.00 0.00 66.02 64.57 2w2w s SER 35 CO -0.06 0.31 -0.02 0.72 0.98 0.00 0.00 173.24 175.18 2w2w s PHE 36 N -1.03 0.36 0.62 5.02 -0.12 -0.84 -1.53 117.98 120.45 2w2w s PHE 36 Ca 0.18 -0.04 -0.06 0.00 -0.05 0.00 0.00 56.93 56.95 2w2w s PHE 36 Cb -0.12 -0.36 0.13 0.00 -0.63 0.00 0.00 43.02 42.05 2w2w s PHE 36 CO 0.08 -0.09 0.84 -1.13 -0.05 0.00 0.00 175.22 174.87 2w2w n SER 37 N 3.72 0.48 -4.88 1.98 3.41 -0.78 -2.03 113.62 115.52 2w2w n SER 37 Ca -0.22 -1.56 -0.29 0.00 -0.26 0.00 0.00 58.87 56.54 2w2w n SER 37 Cb 0.53 -0.60 0.08 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 -4.20 4.74 -0.46 4.04 1.01 -0.86 -4.62 116.67 116.33 2w2w s ASP 38 Ca 0.51 0.94 -0.35 0.00 0.71 0.00 0.00 52.55 54.35 2w2w s ASP 38 Cb -0.02 -1.55 -0.13 0.00 1.01 0.00 0.00 42.92 42.22 2w2w s ASP 38 CO 0.35 -1.77 2.26 -0.67 0.21 0.00 0.00 175.17 175.55 2w2w n ASP 39 N -3.25 1.73 0.00 0.27 -0.08 -1.26 -4.65 116.55 109.31 2w2w n ASP 39 Ca 0.07 0.34 0.09 0.00 -1.51 0.00 0.00 54.79 53.78 2w2w n ASP 39 Cb 0.59 -1.20 0.49 0.00 2.34 0.00 0.00 41.12 43.35 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 7.20 0.25 -0.01 5.18 -5.35 -0.45 -1.63 119.36 124.55 2w2w n ILE 40 Ca 0.46 0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.94 2w2w n ILE 40 Cb 0.19 -0.77 -0.12 0.00 -1.74 0.00 0.00 39.64 37.20 2w2w n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2w2w n GLU 41 N -1.14 0.63 0.15 6.28 1.02 -1.26 -4.39 120.64 121.93 2w2w n GLU 41 Ca 0.11 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 2w2w n GLU 41 Cb 0.10 -1.78 0.17 0.00 -0.02 0.00 0.00 31.44 29.91 2w2w n GLU 41 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2w2w h GLN 42 N 0.00 0.00 -0.39 3.49 4.20 -1.68 -3.31 115.11 117.42 2w2w h GLN 42 Ca -0.26 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.34 2w2w h GLN 42 Cb 1.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 2w2w h GLN 42 CO 0.07 0.00 -0.22 1.79 -0.67 0.00 0.00 178.83 179.80 2w2w h THR 43 N 0.00 1.27 -0.06 -0.54 1.35 -1.76 -3.45 112.91 109.72 2w2w h THR 43 Ca 0.00 -1.33 -0.60 0.00 -0.55 0.00 0.00 66.41 63.92 2w2w h THR 43 Cb 0.92 1.20 0.05 0.00 -1.73 0.00 0.00 68.15 68.60 2w2w h THR 43 CO 0.00 0.45 2.05 0.23 -0.25 0.00 0.00 175.52 177.99 2w2w n MET 44 N -4.11 1.35 -3.04 4.72 2.81 -1.25 -4.52 117.12 113.08 2w2w n MET 44 Ca 0.00 -1.83 -0.16 0.00 -1.81 0.00 0.00 57.70 53.90 2w2w n MET 44 Cb 0.43 -2.98 -0.00 0.00 -0.71 0.00 0.00 33.22 29.96 2w2w n MET 44 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2w2w n PRO 49 N 7.26 0.91 0.00 0.03 -0.02 -1.26 -5.07 135.00 136.85 2w2w n PRO 49 Ca 0.49 -2.86 0.00 0.00 -2.02 0.00 0.00 63.50 59.10 2w2w n PRO 49 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2w2w n PRO 49 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2w2w n LEU 50 N 0.66 0.00 0.00 2.45 -0.00 -1.26 -5.19 117.00 113.66 2w2w n LEU 50 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 2w2w n LEU 50 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 2w2w n LEU 50 CO 0.15 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.15 2w2w n GLY 51 N 0.90 -1.96 3.49 1.47 0.00 -1.26 -5.03 105.19 102.80 2w2w n GLY 51 Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 2w2w n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w2w s SER 52 N -1.41 4.11 -0.06 1.61 0.15 -1.26 -5.00 113.70 111.84 2w2w s SER 52 Ca 0.00 -0.21 0.12 0.00 0.70 0.00 0.00 55.95 56.56 2w2w s SER 52 Cb 0.00 -0.87 0.43 0.00 -1.71 0.00 0.00 66.02 63.88 2w2w s SER 52 CO 0.00 0.33 1.30 -0.11 1.20 0.00 0.00 173.24 175.96 2w2w n LEU 53 N 2.12 2.97 -2.71 3.45 0.00 -1.26 -2.02 117.00 119.55 2w2w n LEU 53 Ca -0.17 -1.50 -0.08 0.00 0.00 0.00 0.00 56.01 54.27 2w2w n LEU 53 Cb 0.52 -0.42 0.10 0.00 0.00 0.00 0.00 43.42 43.62 2w2w n LEU 53 CO 0.26 0.55 0.45 0.00 0.00 0.00 0.00 177.39 178.65 2w2w n ARG 55 N -0.05 0.03 -3.52 0.00 1.74 -0.86 -4.75 116.66 109.24 2w2w n ARG 55 Ca -0.00 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2w2w n ARG 55 Cb 0.76 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.93 -0.47 -0.02 -0.13 0.00 -1.07 -5.04 107.32 97.66 2w2w s GLY 56 Ca 0.07 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.18 2w2w s GLY 56 CO 0.23 0.78 -0.00 -0.42 0.00 0.00 0.00 173.10 173.69 2w2w s ILE 57 N -1.79 0.17 -0.09 0.90 1.01 -1.26 -1.99 121.20 118.14 2w2w s ILE 57 Ca -0.04 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2w2w s ILE 57 Cb -0.00 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 2w2w s ILE 57 CO 0.02 0.12 -0.12 -0.76 0.00 0.00 0.00 174.94 174.20 2w2w s LEU 58 N 0.80 2.84 -0.56 2.97 1.43 0.21 -4.94 118.68 121.42 2w2w s LEU 58 Ca -0.08 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 2w2w s LEU 58 Cb -0.11 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.55 2w2w s LEU 58 CO -0.01 0.26 0.82 -0.62 0.23 0.00 0.00 176.35 177.03 2w2w s ASP 59 N -0.23 6.25 0.55 2.29 -1.08 -1.26 -0.77 116.67 122.42 2w2w s ASP 59 Ca 0.01 -0.75 0.22 0.00 -0.52 0.00 0.00 52.55 51.51 2w2w s ASP 59 Cb -0.13 -2.37 1.51 0.00 -1.46 0.00 0.00 42.92 40.46 2w2w s ASP 59 CO 0.03 -1.15 2.18 -0.07 0.52 0.00 0.00 175.17 176.69 2w2w h LEU 60 N 10.54 0.00 -2.04 -1.34 3.38 -1.42 -0.30 115.31 124.12 2w2w h LEU 60 Ca -0.27 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.80 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 1.07 0.02 0.27 0.78 0.09 0.00 0.00 178.44 180.66 2w2w h ASN 61 N 0.00 0.00 0.55 -0.43 2.35 -1.90 -0.45 115.58 115.70 2w2w h ASN 61 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2w2w h ASN 61 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2w2w h ASN 61 CO 0.00 0.00 -0.64 0.35 -1.65 0.00 0.00 177.43 175.50 2w2w n THR 62 N -4.28 0.11 -3.95 2.81 -2.24 -0.13 -4.95 114.28 101.65 2w2w n THR 62 Ca 0.05 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 2w2w n THR 62 Cb 0.45 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.07 2.65 0.10 4.78 1.51 -0.18 -1.00 117.35 122.14 2w2w s TYR 63 Ca 0.09 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2w2w s TYR 63 Cb 0.16 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2w2w s TYR 63 CO 0.73 0.11 -0.11 -0.80 -1.11 0.00 0.00 175.55 174.36 2w2w s ASN 64 N -3.97 1.60 -0.22 2.29 0.02 0.22 -4.84 114.94 110.05 2w2w s ASN 64 Ca 0.43 -0.82 -0.04 0.00 -1.02 0.00 0.00 52.86 51.42 2w2w s ASN 64 Cb 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 41.25 41.26 2w2w s ASN 64 CO 0.24 -0.23 -0.05 0.68 0.02 0.00 0.00 177.10 177.76 2w2w s VAL 65 N -2.38 3.28 0.10 1.60 -7.23 -1.26 -0.94 120.40 113.58 2w2w s VAL 65 Ca 0.07 -0.54 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 2w2w s VAL 65 Cb -0.03 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2w2w s VAL 65 CO 0.01 0.42 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.42 2w2w s VAL 66 N 1.46 3.37 0.10 1.32 1.01 -0.44 -4.96 120.40 122.26 2w2w s VAL 66 Ca 0.06 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.78 2w2w s VAL 66 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2w2w s VAL 66 CO -0.04 0.11 0.21 -0.75 0.00 0.00 0.00 175.10 174.63 2w2w s LYS 67 N -2.21 3.32 -0.47 2.72 2.20 -1.26 -0.58 119.74 123.45 2w2w s LYS 67 Ca 0.21 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 2w2w s LYS 67 Cb -0.11 -2.94 0.12 0.00 -1.51 0.00 0.00 37.83 33.39 2w2w s LYS 67 CO 0.14 0.56 0.30 0.00 -0.36 0.00 0.00 175.35 175.99 2w2w s ALA 68 N -1.59 3.33 0.11 3.13 0.00 -1.08 -4.94 121.76 120.71 2w2w s ALA 68 Ca 0.34 -2.67 -0.33 0.00 0.00 0.00 0.00 51.96 49.30 2w2w s ALA 68 Cb -0.12 -2.63 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 2w2w s ALA 68 CO 0.27 -1.90 1.57 -1.35 0.00 0.00 0.00 175.76 174.35 2w2w h PRO 69 N 8.03 -0.68 0.00 0.00 0.11 -1.95 -0.54 132.00 136.98 2w2w h PRO 69 Ca -0.14 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2w2w h PRO 69 Cb 1.04 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2w2w h PRO 69 CO 0.76 -0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 2w2w n GLN 70 N -5.48 0.05 0.00 1.05 0.00 -1.26 -4.98 117.38 106.76 2w2w n GLN 70 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 57.00 57.35 2w2w n GLN 70 Cb 0.40 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.02 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 -0.73 -1.72 3.60 2.61 0.00 -0.21 -4.96 105.19 103.77 2w2w n GLY 71 Ca 0.01 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.67 -1.53 1.61 2.20 -1.02 -4.92 119.74 116.75 2w2w s LYS 72 Ca 0.00 0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 56.06 2w2w s LYS 72 Cb 0.00 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.67 2w2w s LYS 72 CO 0.00 -0.15 0.24 0.09 -0.36 0.00 0.00 175.35 175.17 2w2w n ASN 73 N 1.65 0.06 -0.46 1.43 3.02 -1.26 -1.23 115.26 118.47 2w2w n ASN 73 Ca -0.13 -1.16 -0.06 0.00 -0.03 0.00 0.00 54.58 53.20 2w2w n ASN 73 Cb 0.56 -2.21 -0.03 0.00 -0.61 0.00 0.00 39.78 37.50 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 -4.48 -1.18 -4.55 3.52 6.02 -1.26 -5.00 117.38 110.46 2w2w n GLN 74 Ca -0.27 0.62 -0.34 0.00 -0.01 0.00 0.00 57.00 57.00 2w2w n GLN 74 Cb 0.67 -4.66 -0.12 0.00 1.02 0.00 0.00 30.24 27.15 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 -2.13 3.27 0.12 -1.09 -0.14 -0.36 -5.05 119.74 114.35 2w2w s LYS 75 Ca 0.00 -0.56 -0.07 0.00 -1.36 0.00 0.00 55.97 53.98 2w2w s LYS 75 Cb 0.00 -2.74 -0.12 0.00 -1.68 0.00 0.00 37.83 33.29 2w2w s LYS 75 CO 0.00 0.40 1.29 0.77 -0.76 0.00 0.00 175.35 177.05 2w2w h SER 76 N 6.13 0.64 -3.73 2.83 0.02 -1.88 -2.70 113.55 114.86 2w2w h SER 76 Ca -0.37 -0.50 -0.65 0.00 -0.84 0.00 0.00 61.79 59.43 2w2w h SER 76 Cb 1.19 -0.19 -0.38 0.00 0.14 0.00 0.00 62.40 63.15 2w2w h SER 76 CO 0.58 1.30 -0.77 -0.36 -1.14 0.00 0.00 176.83 176.43 2w2w s PHE 77 N -3.33 3.15 0.05 3.45 0.08 -1.26 -4.35 117.98 115.76 2w2w s PHE 77 Ca -0.07 -2.38 0.02 0.00 0.12 0.00 0.00 56.93 54.62 2w2w s PHE 77 Cb 0.08 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2w2w s PHE 77 CO 0.88 -0.88 -0.08 0.14 -0.10 0.00 0.00 175.22 175.19 2w2w s VAL 78 N 1.13 0.54 0.19 -0.44 -7.23 -1.26 -1.31 120.40 112.02 2w2w s VAL 78 Ca -0.01 -1.14 0.10 0.00 -1.81 0.00 0.00 61.98 59.11 2w2w s VAL 78 Cb -0.19 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2w2w s VAL 78 CO -0.07 -0.42 -0.20 0.72 -0.31 0.00 0.00 175.10 174.82 2w2w s PHE 79 N -1.56 2.00 -0.05 2.82 -0.71 -0.83 -2.63 117.98 117.02 2w2w s PHE 79 Ca -0.08 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 55.42 2w2w s PHE 79 Cb -0.09 -0.97 -0.00 0.00 -1.21 0.00 0.00 43.02 40.75 2w2w s PHE 79 CO -0.00 0.44 -0.17 0.42 -1.34 0.00 0.00 175.22 174.57 2w2w s ILE 80 N -2.11 1.42 -0.64 -4.49 1.01 0.25 -1.81 121.20 114.83 2w2w s ILE 80 Ca 0.20 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 2w2w s ILE 80 Cb -0.06 -1.23 0.14 0.00 0.01 0.00 0.00 42.46 41.32 2w2w s ILE 80 CO 0.09 0.41 0.66 -0.76 0.00 0.00 0.00 174.94 175.34 2w2w s LEU 81 N 0.12 5.94 -0.17 2.97 1.02 -0.28 -1.33 118.68 126.95 2w2w s LEU 81 Ca -0.06 -1.85 -0.08 0.00 0.02 0.00 0.00 54.13 52.16 2w2w s LEU 81 Cb -0.12 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.79 2w2w s LEU 81 CO 0.03 -0.91 0.11 -1.83 0.02 0.00 0.00 176.35 173.77 2w2w s GLU 82 N 1.79 3.88 0.49 1.70 -1.05 -0.12 -1.97 118.70 123.43 2w2w s GLU 82 Ca 0.11 -0.23 -0.20 0.00 -0.15 0.00 0.00 54.97 54.50 2w2w s GLU 82 Cb -0.23 -3.28 -0.08 0.00 -0.44 0.00 0.00 34.13 30.10 2w2w s GLU 82 CO 0.01 0.45 1.04 -2.14 0.95 0.00 0.00 175.26 175.57 2w2w s PRO 83 N -0.09 3.78 0.00 -4.83 0.02 -1.26 -0.61 135.00 132.01 2w2w s PRO 83 Ca 0.09 1.34 0.21 0.00 0.02 0.00 0.00 61.00 62.66 2w2w s PRO 83 Cb -0.12 -2.09 0.99 0.00 0.02 0.00 0.00 34.50 33.30 2w2w s PRO 83 CO 0.00 -0.45 1.67 1.63 -0.33 0.00 0.00 177.00 179.52 2w2w n LYS 84 N -1.04 1.35 -5.10 5.54 4.76 -0.17 -4.77 118.16 118.73 2w2w n LYS 84 Ca 0.09 -0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 54.68 2w2w n LYS 84 Cb 0.53 -1.36 -0.16 0.00 -1.84 0.00 0.00 35.03 32.20 2w2w n LYS 84 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2w2w s GLN 85 N -1.91 3.12 0.00 1.97 0.00 -1.26 -5.13 119.66 116.45 2w2w s GLN 85 Ca 0.31 -0.84 0.00 0.00 -0.00 0.00 0.00 55.36 54.83 2w2w s GLN 85 Cb 0.16 -2.37 0.00 0.00 0.00 0.00 0.00 33.01 30.79 2w2w s GLN 85 CO 0.25 0.18 0.04 0.00 0.00 0.00 0.00 175.29 175.76 2w2w n GLN 86 N 3.55 0.00 -3.87 9.60 -0.00 -1.26 -5.12 117.38 120.28 2w2w n GLN 86 Ca -0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.60 2w2w n GLN 86 Cb 0.53 -0.12 -0.02 0.00 -0.00 0.00 0.00 30.24 30.63 2w2w n GLN 86 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2w2w s PRO 89 N 0.30 3.44 0.30 2.61 0.02 -1.26 -5.01 135.00 135.39 2w2w s PRO 89 Ca 0.00 -0.71 -0.27 0.00 0.02 0.00 0.00 61.00 60.04 2w2w s PRO 89 Cb 0.00 -2.86 -0.10 0.00 0.02 0.00 0.00 34.50 31.57 2w2w s PRO 89 CO 0.00 0.38 0.95 -2.14 -0.33 0.00 0.00 177.00 175.86 2w2w s PRO 90 N -4.03 4.66 -0.23 5.54 0.02 -1.26 -4.64 135.00 135.06 2w2w s PRO 90 Ca 0.35 1.39 -0.09 0.00 0.02 0.00 0.00 61.00 62.67 2w2w s PRO 90 Cb -0.09 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 2w2w s PRO 90 CO 0.30 0.35 0.12 0.08 -0.33 0.00 0.00 177.00 177.51 2w2w s VAL 91 N -1.47 5.01 -0.27 3.83 1.01 -0.83 -4.99 120.40 122.70 2w2w s VAL 91 Ca 0.47 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 2w2w s VAL 91 Cb -0.21 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2w2w s VAL 91 CO 0.27 0.37 0.04 -1.61 0.00 0.00 0.00 175.10 174.17 2w2w s GLU 92 N 1.00 3.14 0.21 2.72 2.02 -1.26 -1.12 118.70 125.41 2w2w s GLU 92 Ca 0.06 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.30 2w2w s GLU 92 Cb -0.14 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2w2w s GLU 92 CO 0.04 -0.38 0.17 -0.06 0.02 0.00 0.00 175.26 175.05 2w2w s PHE 93 N 1.48 3.13 -0.01 1.61 0.40 -0.75 -1.84 117.98 122.00 2w2w s PHE 93 Ca 0.03 -0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.10 2w2w s PHE 93 Cb -0.16 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.95 2w2w s PHE 93 CO 0.01 0.52 0.43 0.00 0.70 0.00 0.00 175.22 176.88 2w2w s ALA 94 N -1.95 -1.10 0.28 5.36 0.00 -0.57 -1.97 121.76 121.80 2w2w s ALA 94 Ca 0.32 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2w2w s ALA 94 Cb -0.09 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 2w2w s ALA 94 CO 0.24 -0.34 0.00 0.95 0.00 0.00 0.00 175.76 176.61 2w2w s THR 95 N -1.62 1.25 -0.08 0.00 -4.23 -0.43 0.09 115.64 110.63 2w2w s THR 95 Ca -0.11 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.20 2w2w s THR 95 Cb -0.03 -2.54 -0.13 0.00 1.34 0.00 0.00 72.50 71.15 2w2w s THR 95 CO 0.04 -0.20 0.59 0.44 -0.54 0.00 0.00 174.62 174.95 2w2w h ASP 96 N 2.29 -0.14 -2.83 3.99 3.32 -1.93 -3.39 116.42 117.74 2w2w h ASP 96 Ca -0.40 -0.33 -0.64 0.00 0.02 0.00 0.00 57.03 55.69 2w2w h ASP 96 Cb 1.23 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.77 2w2w h ASP 96 CO 0.67 0.47 -0.45 -0.54 -1.72 0.00 0.00 179.24 177.67 2w2w s LYS 97 N -2.69 3.49 0.30 3.56 -0.14 -1.26 -4.89 119.74 118.11 2w2w s LYS 97 Ca -0.10 -0.22 -0.00 0.00 -1.36 0.00 0.00 55.97 54.29 2w2w s LYS 97 Cb -0.00 -3.09 0.50 0.00 -1.68 0.00 0.00 37.83 33.56 2w2w s LYS 97 CO 0.36 0.67 1.93 -0.24 -0.76 0.00 0.00 175.35 177.31 2w2w h VAL 98 N 2.97 1.11 -0.98 3.17 3.04 -1.98 -2.44 116.25 121.15 2w2w h VAL 98 Ca -0.50 -0.36 0.05 0.00 -1.01 0.00 0.00 66.70 64.88 2w2w h VAL 98 Cb 1.19 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.29 30.37 2w2w h VAL 98 CO 0.67 0.19 0.64 1.05 -1.01 0.00 0.00 177.57 179.12 2w2w h GLU 99 N 1.06 1.16 -0.00 4.17 9.09 -2.00 -2.31 114.58 125.75 2w2w h GLU 99 Ca 0.36 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.70 2w2w h GLU 99 Cb 0.10 -0.26 -0.00 0.00 -1.65 0.00 0.00 28.75 26.94 2w2w h GLU 99 CO -0.12 0.77 0.00 0.93 0.05 0.00 0.00 179.01 180.64 2w2w h GLU 100 N 1.20 0.01 -0.63 1.06 5.08 -1.86 -2.88 114.58 116.56 2w2w h GLU 100 Ca 0.41 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.88 2w2w h GLU 100 Cb 0.09 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 2w2w h GLU 100 CO -0.14 0.13 -0.31 1.25 -1.00 0.00 0.00 179.01 178.94 2w2w h LEU 101 N -0.12 -1.09 -1.75 1.33 5.85 -1.30 0.26 115.31 118.49 2w2w h LEU 101 Ca 0.00 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2w2w h LEU 101 Cb 0.13 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2w2w h LEU 101 CO -0.00 -0.29 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.48 2w2w h PHE 102 N -0.13 0.07 0.62 1.25 0.05 -1.27 -1.33 116.94 116.20 2w2w h PHE 102 Ca 0.25 -0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.01 2w2w h PHE 102 Cb 0.55 -0.02 0.01 0.00 2.00 0.00 0.00 35.95 38.48 2w2w h PHE 102 CO -0.64 0.14 -0.30 0.93 -0.18 0.00 0.00 178.31 178.26 2w2w h GLU 103 N 0.07 -0.81 0.00 1.51 5.08 -0.81 0.17 114.58 119.79 2w2w h GLU 103 Ca 0.02 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2w2w h GLU 103 Cb 0.17 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2w2w h GLU 103 CO 0.01 -0.51 0.28 -1.49 -1.00 0.00 0.00 179.01 176.30 2w2w h TRP 104 N -1.17 0.00 0.02 4.33 4.06 -0.98 0.56 115.95 122.77 2w2w h TRP 104 Ca -0.09 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.65 2w2w h TRP 104 Cb 0.67 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 2w2w h TRP 104 CO 0.00 0.00 -1.18 0.35 -3.56 0.00 0.00 178.44 174.05 2w2w h PHE 105 N 0.00 0.06 0.38 0.49 3.57 -0.95 -3.25 116.94 117.25 2w2w h PHE 105 Ca 0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2w2w h PHE 105 Cb 0.55 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2w2w h PHE 105 CO 0.00 1.46 -0.31 1.96 -2.23 0.00 0.00 178.31 179.20 2w2w h GLN 106 N -0.89 -0.67 -0.44 1.11 1.08 0.30 -1.77 115.11 113.83 2w2w h GLN 106 Ca -0.31 0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.02 2w2w h GLN 106 Cb 1.35 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.85 2w2w h GLN 106 CO -0.15 -0.44 -0.06 0.77 -0.95 0.00 0.00 178.83 178.00 2w2w h SER 107 N -0.69 -0.30 -0.42 1.46 0.02 -0.77 0.99 113.55 113.84 2w2w h SER 107 Ca -0.03 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2w2w h SER 107 Cb 0.60 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2w2w h SER 107 CO -0.01 -0.11 -0.03 0.40 -1.14 0.00 0.00 176.83 175.94 2w2w h ILE 108 N 0.05 1.25 0.04 3.27 2.04 -1.55 -2.99 117.51 119.62 2w2w h ILE 108 Ca 0.22 -1.08 -0.22 0.00 1.00 0.00 0.00 64.86 64.78 2w2w h ILE 108 Cb 0.33 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2w2w h ILE 108 CO -0.41 0.38 -1.01 -0.09 0.00 0.00 0.00 178.15 177.02 2w2w h ARG 109 N 0.77 0.14 -0.14 2.37 2.43 -0.69 -1.63 114.38 117.63 2w2w h ARG 109 Ca 0.14 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2w2w h ARG 109 Cb 0.51 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2w2w h ARG 109 CO 0.03 1.03 0.00 0.39 -1.51 0.00 0.00 179.97 179.91 2w2w n GLU 110 N -3.52 0.29 0.00 0.20 1.02 0.29 -1.83 120.64 117.08 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 0.90 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.09 0.00 1.01 -3.67 5.41 -0.99 -4.75 119.36 116.28 2w2w n ILE 111 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.88 2w2w n ILE 111 Cb 0.03 -0.17 0.52 0.00 -0.71 0.00 0.00 39.64 39.31 2w2w n ILE 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2w2w n THR 112 N -0.98 0.00 0.28 1.39 -2.24 -0.65 -4.87 114.28 107.20 2w2w n THR 112 Ca 0.00 -0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2w2w n THR 112 Cb 0.10 -0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2w2w n THR 112 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29