#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcv s LEU 2 N 0.00 2.01 0.51 3.17 1.43 -1.26 -5.15 118.68 119.40 2wcv s LEU 2 Ca 0.00 -1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 51.82 2wcv s LEU 2 Cb 0.00 0.32 -0.07 0.00 0.03 0.00 0.00 46.19 46.46 2wcv s LEU 2 CO 0.00 -0.68 1.03 -0.54 0.23 0.00 0.00 176.35 176.39 2wcv s LYS 3 N -3.99 3.72 0.00 1.70 1.02 -1.26 -3.76 119.74 117.17 2wcv s LYS 3 Ca 0.17 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.43 2wcv s LYS 3 Cb 0.07 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2wcv s LYS 3 CO -0.03 -0.49 0.00 0.25 -0.92 0.00 0.00 175.35 174.16 2wcv n THR 4 N -1.26 0.00 -5.05 2.17 -2.24 -1.26 -4.96 114.28 101.68 2wcv n THR 4 Ca 0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 2wcv n THR 4 Cb 0.53 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 2wcv n THR 4 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2wcv s ILE 5 N -1.86 2.32 0.12 2.28 -5.25 -1.25 -5.09 121.20 112.48 2wcv s ILE 5 Ca 0.00 -1.15 -0.33 0.00 -0.99 0.00 0.00 60.65 58.18 2wcv s ILE 5 Cb 0.00 -1.87 -0.13 0.00 2.95 0.00 0.00 42.46 43.41 2wcv s ILE 5 CO 0.00 0.49 1.68 -0.24 -1.79 0.00 0.00 174.94 175.08 2wcv n SER 6 N 2.11 3.36 0.00 4.36 2.88 -1.26 -4.62 113.62 120.45 2wcv n SER 6 Ca -0.16 1.05 0.07 0.00 -1.33 0.00 0.00 58.87 58.50 2wcv n SER 6 Cb 0.52 -1.44 0.35 0.00 -0.75 0.00 0.00 64.21 62.88 2wcv n SER 6 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wcv n PRO 7 N 4.33 0.12 0.11 -1.46 -0.04 -1.26 -2.09 135.00 134.71 2wcv n PRO 7 Ca 0.18 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2wcv n PRO 7 Cb 0.30 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.71 2wcv n PRO 7 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wcv n LEU 8 N -1.38 0.74 -4.55 1.53 4.32 -1.26 -4.61 117.00 111.78 2wcv n LEU 8 Ca 0.05 0.61 -0.43 0.00 -0.02 0.00 0.00 56.01 56.23 2wcv n LEU 8 Cb 0.14 -0.43 -0.06 0.00 -1.62 0.00 0.00 43.42 41.46 2wcv n LEU 8 CO 0.12 -0.34 0.54 -0.63 -1.22 0.00 0.00 177.39 175.87 2wcv s ILE 9 N -3.19 4.68 0.68 -0.08 1.01 -0.89 -5.03 121.20 118.38 2wcv s ILE 9 Ca 0.08 0.48 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 2wcv s ILE 9 Cb 0.11 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.30 2wcv s ILE 9 CO 0.51 -0.65 1.20 -0.94 0.00 0.00 0.00 174.94 175.05 2wcv s SER 10 N 2.07 4.64 0.29 3.58 1.04 -1.26 -4.76 113.70 119.30 2wcv s SER 10 Ca 0.29 2.33 0.03 0.00 0.48 0.00 0.00 55.95 59.08 2wcv s SER 10 Cb -0.12 -2.59 0.64 0.00 0.10 0.00 0.00 66.02 64.04 2wcv s SER 10 CO 0.21 -1.96 1.79 -0.65 0.98 0.00 0.00 173.24 173.61 2wcv h PRO 11 N 0.14 0.76 -0.63 4.02 0.11 -1.96 -0.79 132.00 133.66 2wcv h PRO 11 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2wcv h PRO 11 Cb 1.29 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2wcv h PRO 11 CO 0.52 0.50 0.24 1.49 -0.21 0.00 0.00 178.00 180.54 2wcv h GLU 12 N 0.79 0.94 -0.46 1.05 4.57 -2.00 -2.12 114.58 117.35 2wcv h GLU 12 Ca 0.53 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 58.43 2wcv h GLU 12 Cb 0.73 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2wcv h GLU 12 CO -0.35 0.81 -0.12 1.25 -1.18 0.00 0.00 179.01 179.42 2wcv h LEU 13 N 0.88 0.83 -0.58 1.64 5.85 -1.65 -0.53 115.31 121.74 2wcv h LEU 13 Ca 0.21 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2wcv h LEU 13 Cb 0.23 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2wcv h LEU 13 CO -0.01 0.96 0.29 -0.07 -0.34 0.00 0.00 178.44 179.26 2wcv h LEU 14 N 0.75 0.39 -0.34 2.25 3.38 -0.82 0.10 115.31 121.02 2wcv h LEU 14 Ca 0.12 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2wcv h LEU 14 Cb 0.62 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2wcv h LEU 14 CO 0.04 0.25 0.06 0.50 0.09 0.00 0.00 178.44 179.38 2wcv h LYS 15 N 0.53 0.56 -0.44 1.13 3.64 -1.02 -1.99 116.57 118.98 2wcv h LYS 15 Ca 0.27 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2wcv h LYS 15 Cb 0.21 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2wcv h LYS 15 CO -0.20 0.64 0.23 0.28 -2.27 0.00 0.00 179.45 178.13 2wcv h VAL 16 N 0.40 1.17 -0.72 2.00 2.07 -0.51 0.11 116.25 120.76 2wcv h VAL 16 Ca 0.10 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2wcv h VAL 16 Cb 0.35 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2wcv h VAL 16 CO 0.01 0.18 0.45 -0.07 0.02 0.00 0.00 177.57 178.15 2wcv h LEU 17 N 0.58 0.86 -1.01 2.57 3.38 -0.76 -1.53 115.31 119.40 2wcv h LEU 17 Ca 0.15 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2wcv h LEU 17 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2wcv h LEU 17 CO -0.02 0.66 -0.42 0.00 0.09 0.00 0.00 178.44 178.75 2wcv h ALA 18 N 1.24 1.07 0.00 1.53 0.00 -1.01 -3.02 119.26 119.07 2wcv h ALA 18 Ca 0.26 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2wcv h ALA 18 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wcv h ALA 18 CO -0.05 0.52 -0.80 0.93 0.00 0.00 0.00 179.25 179.85 2wcv h GLU 19 N 0.00 0.00 -6.93 0.00 5.08 -0.21 -3.46 114.58 109.06 2wcv h GLU 19 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.80 2wcv h GLU 19 Cb 0.87 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.24 2wcv h GLU 19 CO 0.05 0.80 0.64 -1.33 -1.00 0.00 0.00 179.01 178.17 2wcv n MET 20 N -3.47 2.16 -3.36 2.33 2.81 -0.63 -5.03 117.12 111.93 2wcv n MET 20 Ca -0.00 0.77 -0.18 0.00 -1.81 0.00 0.00 57.70 56.48 2wcv n MET 20 Cb 0.80 -2.55 -0.03 0.00 -0.71 0.00 0.00 33.22 30.73 2wcv n MET 20 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wcv n GLY 21 N 0.65 3.65 3.68 3.03 0.00 -1.26 -5.01 105.19 109.92 2wcv n GLY 21 Ca 0.06 -2.29 -0.46 0.00 0.00 0.00 0.00 46.02 43.33 2wcv n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wcv n HIS 22 N -0.82 2.40 0.00 1.61 -0.00 -1.26 -1.42 115.22 115.74 2wcv n HIS 22 Ca -0.10 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 57.98 2wcv n HIS 22 Cb 0.36 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.53 2wcv n HIS 22 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wcv n GLY 23 N 4.36 2.13 3.77 1.57 0.00 0.83 -5.00 105.19 112.86 2wcv n GLY 23 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2wcv n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wcv s ASP 24 N -1.77 6.26 -0.06 1.61 1.01 -0.50 -4.69 116.67 118.53 2wcv s ASP 24 Ca 0.00 2.67 0.04 0.00 0.71 0.00 0.00 52.55 55.97 2wcv s ASP 24 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2wcv s ASP 24 CO 0.00 -0.88 -0.18 -1.61 0.21 0.00 0.00 175.17 172.71 2wcv s GLU 25 N -2.27 2.63 -0.02 8.23 2.02 -1.26 -1.67 118.70 126.36 2wcv s GLU 25 Ca 0.57 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.84 2wcv s GLU 25 Cb -0.38 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 2wcv s GLU 25 CO 0.49 0.48 -0.16 -1.50 0.02 0.00 0.00 175.26 174.60 2wcv s ILE 26 N -0.39 1.29 -0.16 -1.63 2.07 -0.31 0.03 121.20 122.10 2wcv s ILE 26 Ca 0.04 -0.67 -0.04 0.00 -1.41 0.00 0.00 60.65 58.57 2wcv s ILE 26 Cb -0.12 -1.08 -0.03 0.00 0.13 0.00 0.00 42.46 41.36 2wcv s ILE 26 CO 0.02 0.37 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.75 2wcv s ILE 27 N -0.21 3.85 -0.47 2.00 1.01 -0.93 -0.59 121.20 125.86 2wcv s ILE 27 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 2wcv s ILE 27 Cb -0.08 -2.69 0.11 0.00 0.01 0.00 0.00 42.46 39.81 2wcv s ILE 27 CO 0.00 0.49 0.34 -0.36 0.00 0.00 0.00 174.94 175.41 2wcv s PHE 28 N 0.46 3.40 0.42 3.97 0.40 -0.10 -0.07 117.98 126.46 2wcv s PHE 28 Ca -0.04 -1.76 -0.01 0.00 -0.60 0.00 0.00 56.93 54.53 2wcv s PHE 28 Cb -0.14 -3.41 -0.02 0.00 0.51 0.00 0.00 43.02 39.96 2wcv s PHE 28 CO 0.03 -0.97 0.65 -1.54 0.70 0.00 0.00 175.22 174.09 2wcv s SER 29 N 2.63 6.06 0.71 1.36 1.04 -0.79 -1.92 113.70 122.79 2wcv s SER 29 Ca 0.05 0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.84 2wcv s SER 29 Cb -0.26 -1.82 0.05 0.00 0.10 0.00 0.00 66.02 64.09 2wcv s SER 29 CO 0.00 -0.54 1.05 1.51 0.98 0.00 0.00 173.24 176.24 2wcv s ASP 30 N -4.14 5.00 0.34 7.02 1.47 -1.26 -1.44 116.67 123.66 2wcv s ASP 30 Ca 0.45 0.72 0.19 0.00 1.18 0.00 0.00 52.55 55.10 2wcv s ASP 30 Cb -0.10 -1.43 1.04 0.00 -0.34 0.00 0.00 42.92 42.10 2wcv s ASP 30 CO 0.38 -1.53 1.55 0.00 0.68 0.00 0.00 175.17 176.25 2wcv h ALA 31 N -0.65 1.08 0.00 2.11 0.00 0.42 -2.54 119.26 119.68 2wcv h ALA 31 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wcv h ALA 31 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wcv h ALA 31 CO 0.63 -0.08 -0.81 0.72 0.00 0.00 0.00 179.25 179.70 2wcv n HIS 32 N -2.21 0.06 -2.11 0.00 8.25 -1.26 -4.98 115.22 112.96 2wcv n HIS 32 Ca -0.01 0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 2wcv n HIS 32 Cb 0.15 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 2wcv n HIS 32 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wcv s PHE 33 N -3.05 3.05 -1.53 4.41 5.36 -0.96 -4.91 117.98 120.36 2wcv s PHE 33 Ca 0.08 1.37 -0.10 0.00 -0.96 0.00 0.00 56.93 57.33 2wcv s PHE 33 Cb 0.16 -3.69 -0.02 0.00 -0.34 0.00 0.00 43.02 39.14 2wcv s PHE 33 CO 0.79 -1.93 2.70 -0.35 -1.46 0.00 0.00 175.22 174.96 2wcv n PRO 34 N 1.01 3.78 -0.15 10.12 -0.04 -1.26 -4.73 135.00 143.72 2wcv n PRO 34 Ca 0.01 -2.58 -0.07 0.00 -0.04 0.00 0.00 63.50 60.81 2wcv n PRO 34 Cb 0.42 -2.84 0.02 0.00 -0.04 0.00 0.00 33.50 31.06 2wcv n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wcv h ALA 35 N 5.09 0.59 0.00 0.55 0.00 -1.95 -3.11 119.26 120.42 2wcv h ALA 35 Ca 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2wcv h ALA 35 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wcv h ALA 35 CO 1.73 0.03 0.00 0.72 0.00 0.00 0.00 179.25 181.73 2wcv n HIS 36 N -4.77 0.57 -0.05 0.00 8.25 -1.26 -2.43 115.22 115.52 2wcv n HIS 36 Ca 0.02 0.23 0.06 0.00 -0.26 0.00 0.00 57.72 57.77 2wcv n HIS 36 Cb 0.03 -0.87 0.14 0.00 1.12 0.00 0.00 29.99 30.40 2wcv n HIS 36 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2wcv n SER 37 N -2.03 2.75 0.09 0.41 3.41 -1.18 -4.51 113.62 112.57 2wcv n SER 37 Ca 0.02 -1.90 -0.15 0.00 -0.26 0.00 0.00 58.87 56.58 2wcv n SER 37 Cb 0.19 -0.19 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2wcv n SER 37 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2wcv h MET 38 N 2.11 0.24 0.00 4.33 4.05 -1.47 -3.49 114.93 120.70 2wcv h MET 38 Ca 0.00 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 2wcv h MET 38 Cb 0.69 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2wcv h MET 38 CO 0.00 1.17 0.00 0.41 0.23 0.00 0.00 176.91 178.72 2wcv n GLY 39 N 1.55 3.48 3.61 1.39 0.00 -1.26 -4.44 105.19 109.51 2wcv n GLY 39 Ca -0.10 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2wcv n GLY 39 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wcv s PRO 40 N 0.00 0.29 0.46 1.61 0.02 -1.26 -4.94 135.00 131.18 2wcv s PRO 40 Ca 0.00 1.25 -0.24 0.00 0.02 0.00 0.00 61.00 62.02 2wcv s PRO 40 Cb 0.00 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.78 2wcv s PRO 40 CO 0.00 -3.03 1.31 1.14 -0.33 0.00 0.00 177.00 176.09 2wcv s GLN 41 N -4.59 3.66 -0.07 5.54 -2.07 -1.26 -4.77 119.66 116.10 2wcv s GLN 41 Ca 0.67 2.15 0.03 0.00 -1.82 0.00 0.00 55.36 56.39 2wcv s GLN 41 Cb -0.23 -2.54 -0.02 0.00 -1.09 0.00 0.00 33.01 29.12 2wcv s GLN 41 CO 0.60 -0.74 -0.15 0.08 -1.32 0.00 0.00 175.29 173.77 2wcv s VAL 42 N -1.32 2.99 -0.14 3.63 1.01 -1.26 -1.31 120.40 124.01 2wcv s VAL 42 Ca 0.63 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2wcv s VAL 42 Cb -0.38 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2wcv s VAL 42 CO 0.47 0.57 -0.20 -0.63 0.00 0.00 0.00 175.10 175.31 2wcv s ILE 43 N -0.44 1.93 0.15 2.22 1.01 -0.32 -4.97 121.20 120.79 2wcv s ILE 43 Ca 0.05 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 2wcv s ILE 43 Cb -0.12 -1.72 -0.07 0.00 0.01 0.00 0.00 42.46 40.55 2wcv s ILE 43 CO 0.02 0.53 0.83 -0.13 0.00 0.00 0.00 174.94 176.18 2wcv s ARG 44 N 0.89 4.63 -0.34 2.79 1.81 -1.26 -1.72 118.95 125.75 2wcv s ARG 44 Ca -0.06 1.24 0.16 0.00 -1.72 0.00 0.00 55.73 55.36 2wcv s ARG 44 Cb -0.15 -3.30 0.44 0.00 -0.45 0.00 0.00 34.95 31.49 2wcv s ARG 44 CO -0.03 0.46 1.00 0.00 -0.68 0.00 0.00 175.30 176.05 2wcv n ALA 45 N 1.97 3.00 -1.77 2.13 0.00 0.02 -4.92 120.51 120.94 2wcv n ALA 45 Ca -0.03 -2.86 -0.40 0.00 0.00 0.00 0.00 53.44 50.14 2wcv n ALA 45 Cb 0.49 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.00 2wcv n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wcv s ASP 46 N -2.80 6.04 0.00 0.00 1.01 -1.25 -2.72 116.67 116.96 2wcv s ASP 46 Ca 0.27 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.43 2wcv s ASP 46 Cb 0.44 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.72 2wcv s ASP 46 CO 0.01 -1.06 0.00 0.61 0.21 0.00 0.00 175.17 174.95 2wcv n GLY 47 N 0.58 3.11 3.91 0.21 0.00 -1.26 -4.77 105.19 106.95 2wcv n GLY 47 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2wcv n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wcv s LEU 48 N 0.00 4.13 0.30 0.99 1.43 -1.10 -4.74 118.68 119.69 2wcv s LEU 48 Ca 0.00 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2wcv s LEU 48 Cb 0.00 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 2wcv s LEU 48 CO 0.00 -0.12 0.55 -0.76 0.23 0.00 0.00 176.35 176.26 2wcv s LEU 49 N -3.32 4.04 0.32 1.79 1.43 -1.26 0.12 118.68 121.79 2wcv s LEU 49 Ca 0.43 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2wcv s LEU 49 Cb -0.11 -3.49 0.53 0.00 0.03 0.00 0.00 46.19 43.15 2wcv s LEU 49 CO 0.28 -0.22 1.87 0.58 0.23 0.00 0.00 176.35 179.09 2wcv h VAL 50 N 1.21 1.20 -0.35 -1.59 2.07 -1.93 -2.21 116.25 114.65 2wcv h VAL 50 Ca -0.48 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 2wcv h VAL 50 Cb 1.20 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2wcv h VAL 50 CO 0.65 0.27 -0.11 0.77 0.02 0.00 0.00 177.57 179.18 2wcv h SER 51 N 0.66 0.59 -0.70 0.57 4.64 -1.94 -0.29 113.55 117.08 2wcv h SER 51 Ca 0.15 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2wcv h SER 51 Cb 0.27 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 2wcv h SER 51 CO -0.00 0.73 0.27 0.44 -0.87 0.00 0.00 176.83 177.40 2wcv h ASP 52 N 0.56 0.98 0.17 4.97 3.32 -1.80 -2.37 116.42 122.24 2wcv h ASP 52 Ca 0.10 -0.18 -0.20 0.00 0.02 0.00 0.00 57.03 56.78 2wcv h ASP 52 Cb 0.52 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2wcv h ASP 52 CO 0.03 0.89 -0.77 -0.07 -1.72 0.00 0.00 179.24 177.60 2wcv h LEU 53 N 1.01 0.60 -0.20 1.55 3.38 -1.15 -2.95 115.31 117.55 2wcv h LEU 53 Ca 0.23 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2wcv h LEU 53 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2wcv h LEU 53 CO -0.02 1.17 0.09 -0.07 0.09 0.00 0.00 178.44 179.70 2wcv h LEU 54 N 0.34 0.27 -0.72 1.67 3.38 -0.90 -1.37 115.31 117.99 2wcv h LEU 54 Ca -0.04 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2wcv h LEU 54 Cb 1.36 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 2wcv h LEU 54 CO 0.14 0.34 0.43 1.56 0.09 0.00 0.00 178.44 181.01 2wcv h GLN 55 N 0.19 0.80 -0.82 1.13 4.20 -1.49 -0.93 115.11 118.18 2wcv h GLN 55 Ca 0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2wcv h GLN 55 Cb 0.15 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2wcv h GLN 55 CO -0.01 0.53 0.36 0.00 -0.67 0.00 0.00 178.83 179.04 2wcv h ALA 56 N 1.33 1.06 0.00 3.87 0.00 -1.30 -3.27 119.26 120.95 2wcv h ALA 56 Ca 0.30 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2wcv h ALA 56 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2wcv h ALA 56 CO -0.14 0.66 -1.36 0.44 0.00 0.00 0.00 179.25 178.85 2wcv n ILE 57 N -4.30 0.84 -0.31 0.00 -5.35 -0.54 -4.40 119.36 105.30 2wcv n ILE 57 Ca 0.08 -0.62 0.10 0.00 -0.27 0.00 0.00 62.75 62.04 2wcv n ILE 57 Cb 0.16 -0.49 0.27 0.00 -1.74 0.00 0.00 39.64 37.84 2wcv n ILE 57 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2wcv h ILE 58 N 0.00 0.63 0.00 7.28 1.08 -1.23 0.11 117.51 125.38 2wcv h ILE 58 Ca -0.10 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2wcv h ILE 58 Cb 1.32 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 2wcv h ILE 58 CO 0.02 0.10 0.00 1.55 -0.69 0.00 0.00 178.15 179.13 2wcv h PRO 59 N 0.55 0.00 0.00 2.37 0.13 -1.77 -3.05 132.00 130.23 2wcv h PRO 59 Ca 0.51 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.51 2wcv h PRO 59 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 2wcv h PRO 59 CO -0.43 0.00 -1.88 1.28 -0.23 0.00 0.00 178.00 176.74 2wcv n LEU 60 N -2.64 0.00 -4.52 1.56 4.77 0.21 -4.95 117.00 111.43 2wcv n LEU 60 Ca -0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 2wcv n LEU 60 Cb 0.15 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2wcv n LEU 60 CO 0.19 0.18 -0.13 0.12 -1.33 0.00 0.00 177.39 176.42 2wcv s PHE 61 N -2.75 3.23 -0.13 -1.77 5.36 -0.11 -5.08 117.98 116.73 2wcv s PHE 61 Ca -0.07 -0.27 -0.25 0.00 -0.96 0.00 0.00 56.93 55.39 2wcv s PHE 61 Cb 0.07 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 40.26 2wcv s PHE 61 CO 0.64 -0.38 0.79 -2.00 -1.46 0.00 0.00 175.22 172.81 2wcv s GLU 62 N 1.71 4.35 0.25 10.12 2.56 -1.26 -4.78 118.70 131.65 2wcv s GLU 62 Ca 0.06 0.98 -0.30 0.00 0.00 0.00 0.00 54.97 55.71 2wcv s GLU 62 Cb -0.17 -3.53 -0.09 0.00 2.00 0.00 0.00 34.13 32.34 2wcv s GLU 62 CO 0.10 -0.18 0.99 -0.51 -0.56 0.00 0.00 175.26 175.10 2wcv s LEU 63 N 1.64 4.61 0.26 2.70 1.43 -1.26 0.58 118.68 128.64 2wcv s LEU 63 Ca 0.39 2.04 -0.31 0.00 -1.03 0.00 0.00 54.13 55.22 2wcv s LEU 63 Cb -0.17 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.31 2wcv s LEU 63 CO 0.15 0.05 1.52 -0.67 0.23 0.00 0.00 176.35 177.63 2wcv n ASP 64 N 1.46 3.32 -0.19 2.29 -0.08 -0.23 -3.95 116.55 119.17 2wcv n ASP 64 Ca -0.01 1.14 0.05 0.00 -1.51 0.00 0.00 54.79 54.45 2wcv n ASP 64 Cb 0.46 -1.51 -0.02 0.00 2.34 0.00 0.00 41.12 42.40 2wcv n ASP 64 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2wcv n SER 65 N 2.34 1.11 -0.57 1.67 3.41 -1.26 -4.16 113.62 116.16 2wcv n SER 65 Ca 0.11 -1.05 0.13 0.00 -0.26 0.00 0.00 58.87 57.79 2wcv n SER 65 Cb 0.34 0.60 0.28 0.00 -0.26 0.00 0.00 64.21 65.16 2wcv n SER 65 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wcv n TYR 66 N -0.48 0.00 -3.56 7.33 4.02 -1.26 -4.95 117.16 118.27 2wcv n TYR 66 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 2wcv n TYR 66 Cb 0.22 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 2wcv n TYR 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wcv s ALA 67 N -2.19 -1.92 -0.24 -0.72 0.00 -1.26 -5.11 121.76 110.32 2wcv s ALA 67 Ca 0.29 1.42 -0.39 0.00 0.00 0.00 0.00 51.96 53.27 2wcv s ALA 67 Cb 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 23.12 22.84 2wcv s ALA 67 CO 0.41 -0.45 1.74 -0.35 0.00 0.00 0.00 175.76 177.11 2wcv n PRO 68 N 0.34 1.26 0.00 0.00 -0.04 -1.26 -4.69 135.00 130.61 2wcv n PRO 68 Ca -0.08 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 2wcv n PRO 68 Cb 0.59 -2.16 0.41 0.00 -0.04 0.00 0.00 33.50 32.30 2wcv n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2wcv n PRO 69 N 5.38 0.07 -3.79 0.54 -0.04 -1.26 -4.77 135.00 131.12 2wcv n PRO 69 Ca 0.26 -0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.43 2wcv n PRO 69 Cb 0.15 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.94 2wcv n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wcv s LEU 70 N -2.95 0.98 -0.07 1.53 1.43 -1.26 -0.29 118.68 118.05 2wcv s LEU 70 Ca 0.14 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2wcv s LEU 70 Cb 0.18 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.80 2wcv s LEU 70 CO 0.62 -0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 176.11 2wcv s VAL 71 N 1.86 1.62 0.33 -1.59 1.01 -0.14 -1.30 120.40 122.19 2wcv s VAL 71 Ca 0.03 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2wcv s VAL 71 Cb -0.14 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2wcv s VAL 71 CO -0.07 0.46 -0.08 -0.04 0.00 0.00 0.00 175.10 175.37 2wcv s MET 72 N 0.35 1.77 -0.08 2.72 -1.94 0.19 0.54 119.30 122.85 2wcv s MET 72 Ca -0.13 -1.91 -0.20 0.00 -1.71 0.00 0.00 55.69 51.73 2wcv s MET 72 Cb -0.16 -1.58 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 2wcv s MET 72 CO 0.05 0.11 0.55 1.41 -0.01 0.00 0.00 175.02 177.13 2wcv s MET 73 N -3.64 4.34 0.25 2.03 1.75 -1.26 -1.45 119.30 121.32 2wcv s MET 73 Ca 0.32 0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 55.07 2wcv s MET 73 Cb 0.03 -3.41 -0.09 0.00 2.84 0.00 0.00 34.83 34.20 2wcv s MET 73 CO 0.16 0.20 0.97 0.00 -0.65 0.00 0.00 175.02 175.70 2wcv s ALA 74 N 0.43 3.35 0.40 4.11 0.00 0.01 -4.82 121.76 125.24 2wcv s ALA 74 Ca 0.30 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 2wcv s ALA 74 Cb -0.16 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 2wcv s ALA 74 CO 0.14 0.13 1.29 0.00 0.00 0.00 0.00 175.76 177.32 2wcv n ALA 75 N 1.37 1.39 -1.75 0.00 0.00 -1.26 -4.30 120.51 115.96 2wcv n ALA 75 Ca -0.02 0.29 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 2wcv n ALA 75 Cb 0.47 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.67 2wcv n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wcv s VAL 76 N -1.17 2.44 0.12 0.00 -7.23 -1.26 -4.84 120.40 108.46 2wcv s VAL 76 Ca 0.59 0.30 -0.35 0.00 -1.81 0.00 0.00 61.98 60.71 2wcv s VAL 76 Cb -0.52 -3.14 -0.16 0.00 0.56 0.00 0.00 36.38 33.13 2wcv s VAL 76 CO 0.59 -0.03 1.39 -1.84 -0.31 0.00 0.00 175.10 174.90 2wcv n GLU 77 N -1.21 1.46 0.00 4.82 0.28 -1.26 -1.33 120.64 123.40 2wcv n GLU 77 Ca 0.11 0.52 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2wcv n GLU 77 Cb 0.47 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.15 2wcv n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wcv n GLY 78 N 2.70 3.06 3.72 -1.84 0.00 -1.26 -5.06 105.19 106.51 2wcv n GLY 78 Ca 0.17 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2wcv n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wcv s ASP 79 N 0.00 3.61 -0.04 1.61 -0.00 -0.44 -5.07 116.67 116.34 2wcv s ASP 79 Ca 0.00 1.64 0.01 0.00 -0.00 0.00 0.00 52.55 54.20 2wcv s ASP 79 Cb 0.00 -2.31 0.02 0.00 -0.00 0.00 0.00 42.92 40.63 2wcv s ASP 79 CO 0.00 -2.57 -0.05 -0.89 -0.00 0.00 0.00 175.17 171.66 2wcv s THR 80 N -2.88 0.54 0.66 -1.27 2.01 -1.26 -4.77 115.64 108.67 2wcv s THR 80 Ca 0.63 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.31 2wcv s THR 80 Cb -0.18 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2wcv s THR 80 CO 0.57 0.21 1.17 -0.76 -0.69 0.00 0.00 174.62 175.12 2wcv s LEU 81 N 0.71 3.46 -0.49 4.42 1.43 -1.26 -4.99 118.68 121.96 2wcv s LEU 81 Ca -0.09 2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 2wcv s LEU 81 Cb -0.13 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.61 2wcv s LEU 81 CO 0.00 -1.80 0.42 -0.62 0.23 0.00 0.00 176.35 174.58 2wcv s ASP 82 N -2.10 6.15 0.55 2.29 2.15 -1.26 -4.96 116.67 119.49 2wcv s ASP 82 Ca 0.72 -1.46 0.33 0.00 0.43 0.00 0.00 52.55 52.57 2wcv s ASP 82 Cb -0.26 -2.19 1.48 0.00 -0.30 0.00 0.00 42.92 41.66 2wcv s ASP 82 CO 0.39 -0.70 1.83 1.55 -0.17 0.00 0.00 175.17 178.07 2wcv h PRO 83 N 8.79 0.00 -0.27 4.34 0.13 -2.01 -2.17 132.00 140.80 2wcv h PRO 83 Ca -0.29 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2wcv h PRO 83 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2wcv h PRO 83 CO 0.92 0.00 0.03 1.05 -0.23 0.00 0.00 178.00 179.78 2wcv h GLU 84 N 0.00 0.40 0.63 0.86 -0.00 -2.00 -2.62 114.58 111.85 2wcv h GLU 84 Ca 0.44 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.71 2wcv h GLU 84 Cb 1.87 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 30.54 2wcv h GLU 84 CO -0.00 0.40 -0.49 0.28 -0.00 0.00 0.00 179.01 179.19 2wcv h VAL 85 N 0.39 0.02 -0.71 -1.06 2.07 -1.81 -2.41 116.25 112.75 2wcv h VAL 85 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2wcv h VAL 85 Cb 0.21 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2wcv h VAL 85 CO 0.00 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 177.95 2wcv h GLU 86 N -1.09 0.96 -0.25 1.57 4.81 -1.72 -2.43 114.58 116.44 2wcv h GLU 86 Ca -0.08 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2wcv h GLU 86 Cb 0.91 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 2wcv h GLU 86 CO 0.01 0.66 -0.01 0.00 -0.73 0.00 0.00 179.01 178.94 2wcv h ARG 87 N 0.98 0.06 0.00 1.92 3.08 -1.17 -0.58 114.38 118.66 2wcv h ARG 87 Ca 0.26 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2wcv h ARG 87 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2wcv h ARG 87 CO -0.05 0.04 -0.63 0.07 -1.07 0.00 0.00 179.97 178.33 2wcv h ARG 88 N 0.06 0.00 -0.70 0.04 0.11 -1.30 -2.26 114.38 110.32 2wcv h ARG 88 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2wcv h ARG 88 Cb 0.16 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 2wcv h ARG 88 CO -0.21 0.63 0.45 1.88 0.10 0.00 0.00 179.97 182.82 2wcv h TYR 89 N 0.00 0.90 -0.80 4.08 -1.99 -1.00 0.44 116.97 118.59 2wcv h TYR 89 Ca -0.01 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 2wcv h TYR 89 Cb 1.25 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 39.64 2wcv h TYR 89 CO 0.00 0.58 0.39 0.00 -0.00 0.00 0.00 178.16 179.14 2wcv h ARG 90 N 0.95 1.15 -0.25 4.88 3.08 -0.92 0.20 114.38 123.47 2wcv h ARG 90 Ca 0.26 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2wcv h ARG 90 Cb -0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2wcv h ARG 90 CO -0.05 0.89 -0.26 -0.91 -1.07 0.00 0.00 179.97 178.56 2wcv h ASN 91 N 1.14 0.49 -0.07 7.04 2.35 -0.66 0.41 115.58 126.28 2wcv h ASN 91 Ca 0.28 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2wcv h ASN 91 Cb 0.11 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2wcv h ASN 91 CO -0.04 0.75 -0.06 0.00 -1.65 0.00 0.00 177.43 176.43 2wcv h ALA 92 N 1.29 0.10 0.00 -0.83 0.00 0.38 -2.82 119.26 117.38 2wcv h ALA 92 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wcv h ALA 92 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wcv h ALA 92 CO 0.05 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2wcv n LEU 93 N -4.73 0.00 -1.67 0.00 4.77 0.01 -3.83 117.00 111.55 2wcv n LEU 93 Ca -0.07 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2wcv n LEU 93 Cb 0.29 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2wcv n LEU 93 CO 0.36 -0.13 -0.17 -1.20 -1.33 0.00 0.00 177.39 174.92 2wcv n SER 94 N -1.37 -4.40 -4.77 -1.43 7.64 -0.19 -4.97 113.62 104.13 2wcv n SER 94 Ca 0.07 -0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.54 2wcv n SER 94 Cb 0.18 -3.54 -0.02 0.00 -1.01 0.00 0.00 64.21 59.82 2wcv n SER 94 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wcv s LEU 95 N -4.16 4.22 -0.27 -3.43 1.43 0.13 -5.00 118.68 111.59 2wcv s LEU 95 Ca 0.01 2.40 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 2wcv s LEU 95 Cb -0.01 -3.98 0.18 0.00 0.03 0.00 0.00 46.19 42.41 2wcv s LEU 95 CO 0.02 -0.68 1.30 -1.58 0.23 0.00 0.00 176.35 175.63 2wcv s GLN 96 N -2.24 0.18 0.25 1.70 2.00 -1.26 -4.74 119.66 115.54 2wcv s GLN 96 Ca 0.56 0.08 -0.14 0.00 -2.00 0.00 0.00 55.36 53.86 2wcv s GLN 96 Cb -0.32 0.08 -0.10 0.00 0.80 0.00 0.00 33.01 33.47 2wcv s GLN 96 CO 0.41 -0.05 0.07 0.00 -0.50 0.00 0.00 175.29 175.22 2wcv n ALA 97 N 0.84 -2.39 0.41 1.58 0.00 -1.26 -3.73 120.51 115.96 2wcv n ALA 97 Ca -0.04 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2wcv n ALA 97 Cb 0.58 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.10 2wcv n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wcv n PRO 98 N 0.84 0.39 -3.66 0.00 -0.04 -1.26 -5.01 135.00 126.27 2wcv n PRO 98 Ca 0.07 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2wcv n PRO 98 Cb 0.25 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 2wcv n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wcv s PRO 100 N -2.84 0.81 0.26 0.00 0.02 -1.26 -4.77 135.00 127.23 2wcv s PRO 100 Ca 0.12 0.23 0.03 0.00 0.02 0.00 0.00 61.00 61.41 2wcv s PRO 100 Cb 0.01 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 2wcv s PRO 100 CO -0.02 -2.41 0.03 0.34 -0.33 0.00 0.00 177.00 174.62 2wcv s ASP 101 N -4.01 1.83 0.00 2.53 2.15 -1.26 -4.61 116.67 113.31 2wcv s ASP 101 Ca 0.65 -1.30 -0.12 0.00 0.43 0.00 0.00 52.55 52.21 2wcv s ASP 101 Cb -0.14 0.02 -0.05 0.00 -0.30 0.00 0.00 42.92 42.44 2wcv s ASP 101 CO 0.54 -0.58 0.36 -0.63 -0.17 0.00 0.00 175.17 174.69 2wcv s ILE 102 N -3.46 5.12 0.17 4.11 1.01 -1.26 -4.34 121.20 122.55 2wcv s ILE 102 Ca 0.33 0.64 0.10 0.00 0.00 0.00 0.00 60.65 61.71 2wcv s ILE 102 Cb 0.07 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2wcv s ILE 102 CO 0.12 0.51 -0.15 -0.63 0.00 0.00 0.00 174.94 174.78 2wcv s ILE 103 N -1.15 2.88 -0.11 2.92 1.01 -0.42 -4.99 121.20 121.34 2wcv s ILE 103 Ca 0.25 -1.73 0.03 0.00 0.00 0.00 0.00 60.65 59.19 2wcv s ILE 103 Cb -0.15 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 2wcv s ILE 103 CO 0.13 -0.07 -0.20 -0.13 0.00 0.00 0.00 174.94 174.67 2wcv s ARG 104 N -2.64 3.15 0.11 2.79 1.81 -1.26 0.56 118.95 123.47 2wcv s ARG 104 Ca 0.22 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.49 2wcv s ARG 104 Cb -0.09 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.96 2wcv s ARG 104 CO 0.13 0.18 -0.18 0.96 -0.68 0.00 0.00 175.30 175.70 2wcv s ILE 105 N 0.38 1.57 0.93 1.52 -4.36 -0.53 -4.82 121.20 115.90 2wcv s ILE 105 Ca -0.16 -1.58 -0.12 0.00 -0.26 0.00 0.00 60.65 58.54 2wcv s ILE 105 Cb -0.17 -1.51 0.08 0.00 1.25 0.00 0.00 42.46 42.11 2wcv s ILE 105 CO 0.07 -0.17 0.71 -0.46 0.24 0.00 0.00 174.94 175.33 2wcv n ASN 106 N 0.94 -1.09 -0.20 4.36 0.23 -1.26 -0.81 115.26 117.43 2wcv n ASN 106 Ca -0.18 0.37 0.03 0.00 -0.53 0.00 0.00 54.58 54.27 2wcv n ASN 106 Cb 0.55 -1.32 0.30 0.00 -2.08 0.00 0.00 39.78 37.22 2wcv n ASN 106 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2wcv h ARG 107 N -1.66 0.87 0.65 -3.83 2.43 -1.93 -1.84 114.38 109.07 2wcv h ARG 107 Ca -0.43 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 2wcv h ARG 107 Cb 1.28 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2wcv h ARG 107 CO 0.37 0.57 -0.41 0.74 -1.51 0.00 0.00 179.97 179.73 2wcv h PHE 108 N 0.89 -1.09 0.00 2.20 0.04 -1.97 -1.80 116.94 115.22 2wcv h PHE 108 Ca 0.29 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 2wcv h PHE 108 Cb 0.05 0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2wcv h PHE 108 CO -0.00 -0.62 -0.05 0.00 -0.60 0.00 0.00 178.31 177.04 2wcv h ALA 109 N -0.76 1.50 -0.05 2.45 0.00 -1.87 -1.56 119.26 118.97 2wcv h ALA 109 Ca -0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2wcv h ALA 109 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2wcv h ALA 109 CO 0.07 0.07 -0.32 0.35 0.00 0.00 0.00 179.25 179.42 2wcv h PHE 110 N 0.00 0.41 -0.35 0.00 3.57 -0.96 -2.39 116.94 117.22 2wcv h PHE 110 Ca -0.00 -0.19 -0.10 0.00 3.53 0.00 0.00 57.97 61.21 2wcv h PHE 110 Cb 0.13 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2wcv h PHE 110 CO 0.00 0.94 -0.18 1.88 -2.23 0.00 0.00 178.31 178.71 2wcv h TYR 111 N -0.23 0.74 -0.55 0.41 0.99 -1.02 0.18 116.97 117.49 2wcv h TYR 111 Ca -0.03 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.52 2wcv h TYR 111 Cb 0.99 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 38.51 2wcv h TYR 111 CO 0.14 0.80 0.22 0.93 -0.00 0.00 0.00 178.16 180.25 2wcv h GLU 112 N 0.59 0.82 -0.56 4.88 5.08 -1.34 0.19 114.58 124.24 2wcv h GLU 112 Ca 0.09 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2wcv h GLU 112 Cb 0.64 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2wcv h GLU 112 CO 0.05 0.72 0.00 -0.09 -1.00 0.00 0.00 179.01 178.69 2wcv h ARG 113 N 0.75 0.99 -0.34 2.33 2.43 -1.15 -2.30 114.38 117.08 2wcv h ARG 113 Ca 0.18 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2wcv h ARG 113 Cb 0.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2wcv h ARG 113 CO -0.01 0.99 0.09 0.00 -1.51 0.00 0.00 179.97 179.53 2wcv h ALA 114 N 0.97 1.53 -0.60 2.80 0.00 -0.14 -0.63 119.26 123.18 2wcv h ALA 114 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wcv h ALA 114 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2wcv h ALA 114 CO 0.03 0.36 0.27 1.96 0.00 0.00 0.00 179.25 181.87 2wcv h GLN 115 N 0.49 0.85 -0.13 0.00 4.20 -0.06 -2.65 115.11 117.80 2wcv h GLN 115 Ca 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wcv h GLN 115 Cb 0.17 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2wcv h GLN 115 CO -0.01 0.67 0.00 1.63 -0.67 0.00 0.00 178.83 180.46 2wcv n LYS 116 N -4.35 2.02 -0.89 1.46 5.02 -0.50 -4.30 118.16 116.62 2wcv n LYS 116 Ca 0.05 -1.51 -0.30 0.00 -2.02 0.00 0.00 58.31 54.53 2wcv n LYS 116 Cb 0.14 -1.46 0.16 0.00 -0.02 0.00 0.00 35.03 33.85 2wcv n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wcv s ALA 117 N -1.84 1.31 0.14 7.82 0.00 -0.36 -4.93 121.76 123.89 2wcv s ALA 117 Ca 0.34 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 2wcv s ALA 117 Cb 0.20 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 2wcv s ALA 117 CO 0.30 -2.66 1.32 0.35 0.00 0.00 0.00 175.76 175.07 2wcv h PHE 118 N -1.79 0.55 -2.41 0.00 3.04 -0.73 -3.42 116.94 112.18 2wcv h PHE 118 Ca -0.48 -0.30 0.12 0.00 3.98 0.00 0.00 57.97 61.29 2wcv h PHE 118 Cb 1.27 -0.06 -0.12 0.00 2.56 0.00 0.00 35.95 39.60 2wcv h PHE 118 CO 0.46 1.11 0.45 0.00 -2.02 0.00 0.00 178.31 178.31 2wcv s ALA 119 N -3.27 -1.72 -0.11 2.41 0.00 -1.25 -4.25 121.76 113.58 2wcv s ALA 119 Ca -0.05 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 2wcv s ALA 119 Cb 0.09 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.81 2wcv s ALA 119 CO 0.86 -0.83 -0.01 0.42 0.00 0.00 0.00 175.76 176.20 2wcv s ILE 120 N -3.28 0.56 -0.55 0.00 1.01 -0.42 -2.19 121.20 116.33 2wcv s ILE 120 Ca 0.07 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 2wcv s ILE 120 Cb -0.01 -0.76 0.13 0.00 0.01 0.00 0.00 42.46 41.83 2wcv s ILE 120 CO -0.05 0.18 0.49 -0.69 0.00 0.00 0.00 174.94 174.87 2wcv s VAL 121 N 1.88 5.02 -0.32 2.92 1.01 0.90 -1.17 120.40 130.64 2wcv s VAL 121 Ca 0.04 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 2wcv s VAL 121 Cb -0.13 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2wcv s VAL 121 CO -0.06 -0.86 1.06 -0.51 0.00 0.00 0.00 175.10 174.72 2wcv s ILE 122 N 1.44 4.53 0.25 2.22 2.07 -0.70 -1.88 121.20 129.13 2wcv s ILE 122 Ca 0.05 1.69 0.03 0.00 -1.41 0.00 0.00 60.65 61.01 2wcv s ILE 122 Cb -0.28 -4.40 0.04 0.00 0.13 0.00 0.00 42.46 37.96 2wcv s ILE 122 CO 0.01 -0.47 0.35 0.35 -1.91 0.00 0.00 174.94 173.27 2wcv n THR 123 N 5.86 0.00 1.38 4.00 -2.24 -0.52 -0.80 114.28 121.97 2wcv n THR 123 Ca 0.11 -0.74 0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2wcv n THR 123 Cb 0.47 -0.92 0.46 0.00 -2.10 0.00 0.00 70.33 68.25 2wcv n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wcv n GLY 124 N 2.06 0.15 3.68 3.38 0.00 0.31 -2.85 105.19 111.92 2wcv n GLY 124 Ca 0.07 -0.45 -0.50 0.00 0.00 0.00 0.00 46.02 45.13 2wcv n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wcv n GLU 125 N 0.28 1.87 -0.00 1.61 -0.58 -1.17 -4.59 120.64 118.06 2wcv n GLU 125 Ca 0.18 0.68 0.09 0.00 -0.42 0.00 0.00 57.16 57.69 2wcv n GLU 125 Cb 0.36 -2.46 -0.11 0.00 -0.57 0.00 0.00 31.44 28.65 2wcv n GLU 125 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wcv n ARG 126 N 5.50 0.69 -2.15 3.49 5.12 -1.26 0.69 116.66 128.74 2wcv n ARG 126 Ca 0.22 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.71 2wcv n ARG 126 Cb 0.25 -1.41 -0.02 0.00 -1.16 0.00 0.00 32.46 30.12 2wcv n ARG 126 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wcv s ALA 127 N -2.87 3.47 0.72 7.54 0.00 -1.26 -4.96 121.76 124.40 2wcv s ALA 127 Ca 0.05 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2wcv s ALA 127 Cb 0.14 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2wcv s ALA 127 CO 0.79 -0.60 1.15 0.15 0.00 0.00 0.00 175.76 177.25 2wcv s LYS 128 N -1.79 2.36 -1.53 0.00 1.02 -1.26 -3.30 119.74 115.24 2wcv s LYS 128 Ca 0.49 1.53 -0.07 0.00 0.02 0.00 0.00 55.97 57.94 2wcv s LYS 128 Cb -0.39 -1.88 0.06 0.00 -0.52 0.00 0.00 37.83 35.10 2wcv s LYS 128 CO 0.51 -1.62 0.53 0.66 -0.92 0.00 0.00 175.35 174.51 2wcv n TYR 129 N -2.76 -1.66 1.08 3.18 4.02 -1.26 -4.84 117.16 114.91 2wcv n TYR 129 Ca 0.12 0.76 0.12 0.00 -0.01 0.00 0.00 57.90 58.89 2wcv n TYR 129 Cb 0.51 -3.38 0.27 0.00 -0.02 0.00 0.00 39.34 36.73 2wcv n TYR 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wcv n GLY 130 N -1.82 0.72 3.77 2.72 0.00 -1.21 -4.82 105.19 104.56 2wcv n GLY 130 Ca -0.17 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 2wcv n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wcv s ASN 131 N -1.89 6.57 -0.13 1.61 0.01 -1.26 -4.45 114.94 115.41 2wcv s ASN 131 Ca 0.33 2.56 -0.08 0.00 -0.71 0.00 0.00 52.86 54.96 2wcv s ASN 131 Cb 0.20 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 39.28 2wcv s ASN 131 CO 0.31 -0.66 0.32 -0.51 -1.51 0.00 0.00 177.10 175.05 2wcv s ILE 132 N -1.26 -0.03 -0.13 0.60 2.07 -0.81 -4.06 121.20 117.59 2wcv s ILE 132 Ca 0.54 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.82 2wcv s ILE 132 Cb -0.36 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 2wcv s ILE 132 CO 0.47 0.04 0.08 -0.22 -1.91 0.00 0.00 174.94 173.40 2wcv s LEU 133 N 1.11 4.00 -0.10 8.50 0.20 0.19 -0.92 118.68 131.66 2wcv s LEU 133 Ca -0.08 0.27 0.04 0.00 0.69 0.00 0.00 54.13 55.05 2wcv s LEU 133 Cb -0.08 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 2wcv s LEU 133 CO -0.08 0.34 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.33 2wcv s LEU 134 N -0.61 2.04 -0.18 -0.68 1.02 0.24 -0.97 118.68 119.53 2wcv s LEU 134 Ca 0.11 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.69 2wcv s LEU 134 Cb -0.12 -1.34 -0.03 0.00 0.02 0.00 0.00 46.19 44.72 2wcv s LEU 134 CO 0.02 0.14 -0.01 -0.75 0.02 0.00 0.00 176.35 175.77 2wcv s LYS 135 N 0.43 3.67 0.23 1.70 2.20 0.60 -1.16 119.74 127.40 2wcv s LYS 135 Ca -0.17 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 2wcv s LYS 135 Cb -0.17 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 2wcv s LYS 135 CO 0.07 0.14 0.94 0.21 -0.36 0.00 0.00 175.35 176.35 2wcv s LYS 136 N 0.66 4.84 0.00 4.03 2.20 -0.67 -1.07 119.74 129.73 2wcv s LYS 136 Ca -0.01 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 2wcv s LYS 136 Cb -0.14 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2wcv s LYS 136 CO 0.02 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 2wcv n GLY 137 N 1.57 2.09 3.63 5.54 0.00 0.20 -0.12 105.19 118.10 2wcv n GLY 137 Ca -0.02 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 2wcv n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wcv s VAL 138 N 2.62 5.20 -0.07 1.61 1.01 -1.26 -4.19 120.40 125.32 2wcv s VAL 138 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 2wcv s VAL 138 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2wcv s VAL 138 CO 0.00 0.20 1.35 -0.89 0.00 0.00 0.00 175.10 175.76 2wcv s THR 139 N 1.76 3.99 -2.23 3.92 2.01 -1.26 -4.96 115.64 118.87 2wcv s THR 139 Ca 0.15 1.29 0.30 0.00 0.31 0.00 0.00 61.69 63.74 2wcv s THR 139 Cb -0.15 -3.83 0.74 0.00 0.01 0.00 0.00 72.50 69.27 2wcv s THR 139 CO 0.09 -0.05 2.00 -0.81 -0.69 0.00 0.00 174.62 175.16