#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 0.36 0.60 3.17 1.02 -1.26 -5.14 118.68 117.43 2wcv s LEU 2 Ca 0.00 0.45 -0.16 0.00 0.02 0.00 0.00 54.13 54.43 2wcv s LEU 2 Cb 0.00 1.63 -0.03 0.00 0.02 0.00 0.00 46.19 47.81 2wcv s LEU 2 CO 0.00 -0.41 1.09 -0.54 0.02 0.00 0.00 176.35 176.51 2wcv s LYS 3 N -0.88 3.17 0.00 1.70 1.02 -1.26 -3.38 119.74 120.11 2wcv s LYS 3 Ca -0.09 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.25 2wcv s LYS 3 Cb -0.04 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2wcv s LYS 3 CO 0.05 -0.95 0.00 0.25 -0.92 0.00 0.00 175.35 173.77 2wcv n THR 4 N -1.97 0.00 -4.67 2.17 -2.24 -1.26 -4.96 114.28 101.34 2wcv n THR 4 Ca 0.10 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.65 2wcv n THR 4 Cb 0.52 -0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 68.00 2wcv n THR 4 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wcv s ILE 5 N -1.38 1.28 0.17 2.28 1.01 -1.22 -5.11 121.20 118.23 2wcv s ILE 5 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.55 2wcv s ILE 5 Cb 0.00 -1.08 -0.11 0.00 0.01 0.00 0.00 42.46 41.28 2wcv s ILE 5 CO 0.00 0.28 1.66 -0.55 0.00 0.00 0.00 174.94 176.33 2wcv s SER 6 N -0.58 6.50 0.00 3.58 0.15 -1.26 -4.64 113.70 117.44 2wcv s SER 6 Ca 0.06 2.71 0.27 0.00 0.70 0.00 0.00 55.95 59.68 2wcv s SER 6 Cb -0.07 -2.59 1.46 0.00 -1.71 0.00 0.00 66.02 63.11 2wcv s SER 6 CO -0.00 -0.90 1.92 -0.81 1.20 0.00 0.00 173.24 174.65 2wcv n PRO 7 N 4.30 0.60 0.16 5.44 -0.04 -1.26 -2.60 135.00 141.60 2wcv n PRO 7 Ca 0.15 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2wcv n PRO 7 Cb 0.37 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.65 2wcv n PRO 7 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wcv h LEU 8 N 0.00 0.00 -8.82 1.53 4.07 -1.99 -3.42 115.31 106.68 2wcv h LEU 8 Ca 0.00 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.33 2wcv h LEU 8 Cb 0.13 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.73 2wcv h LEU 8 CO 0.00 0.00 0.04 -0.63 -1.08 0.00 0.00 178.44 176.77 2wcv s ILE 9 N -3.17 4.97 0.69 1.22 1.01 -1.07 -5.03 121.20 119.82 2wcv s ILE 9 Ca 0.09 0.58 -0.14 0.00 0.00 0.00 0.00 60.65 61.17 2wcv s ILE 9 Cb 0.09 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2wcv s ILE 9 CO 0.62 -0.19 1.12 -0.94 0.00 0.00 0.00 174.94 175.56 2wcv s SER 10 N 1.72 4.86 0.39 3.58 1.04 -1.26 -4.78 113.70 119.25 2wcv s SER 10 Ca 0.22 2.05 0.11 0.00 0.48 0.00 0.00 55.95 58.80 2wcv s SER 10 Cb -0.15 -2.56 0.90 0.00 0.10 0.00 0.00 66.02 64.32 2wcv s SER 10 CO 0.13 -1.80 1.92 1.55 0.98 0.00 0.00 173.24 176.02 2wcv h PRO 11 N -0.16 0.56 -0.39 4.02 0.13 -1.96 0.25 132.00 134.45 2wcv h PRO 11 Ca -0.47 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 2wcv h PRO 11 Cb 1.25 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2wcv h PRO 11 CO 0.53 0.37 -0.20 1.49 -0.23 0.00 0.00 178.00 179.96 2wcv h GLU 12 N 0.58 0.76 -0.07 0.86 4.57 -1.99 -0.33 114.58 118.96 2wcv h GLU 12 Ca 0.37 -0.29 -0.15 0.00 -1.18 0.00 0.00 59.36 58.10 2wcv h GLU 12 Cb 0.62 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2wcv h GLU 12 CO -0.13 0.90 -0.64 1.25 -1.18 0.00 0.00 179.01 179.21 2wcv h LEU 13 N 0.67 0.30 -0.92 1.64 5.85 -1.59 -0.88 115.31 120.38 2wcv h LEU 13 Ca 0.10 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2wcv h LEU 13 Cb 0.70 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2wcv h LEU 13 CO 0.05 0.86 0.09 0.25 -0.34 0.00 0.00 178.44 179.35 2wcv h LEU 14 N 0.19 0.84 -0.18 2.25 5.85 -0.60 0.10 115.31 123.75 2wcv h LEU 14 Ca -0.01 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2wcv h LEU 14 Cb 1.16 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2wcv h LEU 14 CO 0.10 0.85 -0.12 0.50 -0.34 0.00 0.00 178.44 179.43 2wcv h LYS 15 N 0.84 0.41 -0.17 1.25 3.64 -0.75 -2.42 116.57 119.36 2wcv h LYS 15 Ca 0.17 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2wcv h LYS 15 Cb 0.38 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2wcv h LYS 15 CO 0.01 0.73 0.05 0.28 -2.27 0.00 0.00 179.45 178.25 2wcv h VAL 16 N 0.08 0.96 -0.74 2.00 2.07 -0.79 -0.54 116.25 119.28 2wcv h VAL 16 Ca 0.04 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2wcv h VAL 16 Cb 0.63 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2wcv h VAL 16 CO 0.03 0.02 0.46 -0.07 0.02 0.00 0.00 177.57 178.04 2wcv h LEU 17 N 0.13 0.75 -0.96 2.57 3.38 -0.82 -1.56 115.31 118.79 2wcv h LEU 17 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2wcv h LEU 17 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2wcv h LEU 17 CO -0.08 0.51 -0.20 0.00 0.09 0.00 0.00 178.44 178.76 2wcv h ALA 18 N 1.33 1.12 -0.03 1.53 0.00 -0.99 -3.08 119.26 119.14 2wcv h ALA 18 Ca 0.30 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2wcv h ALA 18 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wcv h ALA 18 CO -0.13 0.55 -0.79 0.93 0.00 0.00 0.00 179.25 179.82 2wcv h GLU 19 N 0.46 0.26 -6.68 0.00 5.08 -0.67 -3.46 114.58 109.58 2wcv h GLU 19 Ca 0.07 -0.24 -0.58 0.00 -1.00 0.00 0.00 59.36 57.62 2wcv h GLU 19 Cb 0.62 0.06 0.12 0.00 0.50 0.00 0.00 28.75 30.04 2wcv h GLU 19 CO 0.04 0.92 0.35 -1.33 -1.00 0.00 0.00 179.01 177.99 2wcv n MET 20 N -3.75 1.77 -2.02 2.33 2.81 -0.63 -5.00 117.12 112.62 2wcv n MET 20 Ca -0.04 0.62 -0.02 0.00 -1.81 0.00 0.00 57.70 56.46 2wcv n MET 20 Cb 0.74 -2.18 -0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 0.96 3.77 3.70 3.03 0.00 -1.26 -5.01 105.19 110.38 2wcv n GLY 21 Ca 0.07 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2wcv n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wcv s HIS 22 N -0.82 2.42 0.00 1.61 2.46 -1.26 -1.67 115.29 118.03 2wcv s HIS 22 Ca 0.01 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.71 2wcv s HIS 22 Cb -0.00 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.34 2wcv s HIS 22 CO 0.01 -4.44 0.00 0.41 -2.47 0.00 0.00 174.74 168.25 2wcv n GLY 23 N 4.10 2.06 3.77 1.59 0.00 0.13 -5.00 105.19 111.84 2wcv n GLY 23 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.90 6.22 -0.03 1.61 1.01 -0.67 -4.69 116.67 118.22 2wcv s ASP 24 Ca 0.00 2.54 0.07 0.00 0.71 0.00 0.00 52.55 55.87 2wcv s ASP 24 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2wcv s ASP 24 CO 0.00 -0.90 -0.25 -1.61 0.21 0.00 0.00 175.17 172.62 2wcv s GLU 25 N -2.40 2.13 0.02 8.23 2.02 -1.26 -1.02 118.70 126.41 2wcv s GLU 25 Ca 0.60 -0.90 0.04 0.00 0.02 0.00 0.00 54.97 54.73 2wcv s GLU 25 Cb -0.35 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 2wcv s GLU 25 CO 0.44 0.51 -0.13 -1.50 0.02 0.00 0.00 175.26 174.60 2wcv s ILE 26 N -0.50 0.99 -0.09 -1.63 2.07 -0.58 0.16 121.20 121.62 2wcv s ILE 26 Ca 0.07 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 2wcv s ILE 26 Cb -0.10 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 2wcv s ILE 26 CO -0.00 0.11 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.43 2wcv s ILE 27 N -0.60 3.56 -0.36 2.00 1.01 -0.69 -1.31 121.20 124.81 2wcv s ILE 27 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2wcv s ILE 27 Cb -0.06 -2.48 0.08 0.00 0.01 0.00 0.00 42.46 40.01 2wcv s ILE 27 CO 0.00 0.57 0.13 -0.36 0.00 0.00 0.00 174.94 175.27 2wcv s PHE 28 N -0.40 3.44 0.28 3.97 0.40 -0.38 0.64 117.98 125.94 2wcv s PHE 28 Ca 0.05 -2.11 0.06 0.00 -0.60 0.00 0.00 56.93 54.33 2wcv s PHE 28 Cb -0.12 -2.74 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 2wcv s PHE 28 CO 0.02 -0.89 0.40 -1.54 0.70 0.00 0.00 175.22 173.91 2wcv s SER 29 N 1.59 6.14 0.83 1.36 1.04 0.16 -1.76 113.70 123.06 2wcv s SER 29 Ca 0.03 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 2wcv s SER 29 Cb -0.21 -1.59 0.10 0.00 0.10 0.00 0.00 66.02 64.41 2wcv s SER 29 CO -0.02 -0.21 1.18 1.51 0.98 0.00 0.00 173.24 176.68 2wcv s ASP 30 N -4.05 4.27 0.38 7.02 1.47 -1.26 -1.53 116.67 122.98 2wcv s ASP 30 Ca 0.38 0.77 0.26 0.00 1.18 0.00 0.00 52.55 55.14 2wcv s ASP 30 Cb -0.09 -1.24 1.37 0.00 -0.34 0.00 0.00 42.92 42.62 2wcv s ASP 30 CO 0.30 -2.05 1.80 0.00 0.68 0.00 0.00 175.17 175.90 2wcv h ALA 31 N -1.16 1.00 -0.03 2.11 0.00 -0.22 -2.62 119.26 118.34 2wcv h ALA 31 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wcv h ALA 31 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wcv h ALA 31 CO 0.63 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.60 2wcv n HIS 32 N -2.43 0.00 -2.25 0.00 8.25 -1.26 -4.96 115.22 112.57 2wcv n HIS 32 Ca -0.01 -0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2wcv n HIS 32 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.00 3.30 -0.89 4.41 5.36 -0.99 -4.89 117.98 122.29 2wcv s PHE 33 Ca 0.29 1.21 -0.07 0.00 -0.96 0.00 0.00 56.93 57.41 2wcv s PHE 33 Cb 0.20 -3.57 -0.10 0.00 -0.34 0.00 0.00 43.02 39.21 2wcv s PHE 33 CO 0.30 -1.80 2.55 -0.35 -1.46 0.00 0.00 175.22 174.46 2wcv n PRO 34 N 2.95 2.41 -0.25 10.12 -0.04 -1.26 -4.66 135.00 144.27 2wcv n PRO 34 Ca 0.07 -1.49 0.02 0.00 -0.04 0.00 0.00 63.50 62.07 2wcv n PRO 34 Cb 0.43 -2.40 0.15 0.00 -0.04 0.00 0.00 33.50 31.64 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 5.26 0.99 0.00 0.55 0.00 -1.94 -2.83 119.26 121.30 2wcv h ALA 35 Ca 0.52 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2wcv h ALA 35 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wcv h ALA 35 CO 1.25 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 181.12 2wcv n HIS 36 N -4.91 0.00 0.08 0.00 8.25 -1.26 -2.98 115.22 114.40 2wcv n HIS 36 Ca 0.12 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.63 2wcv n HIS 36 Cb 0.31 -0.24 0.09 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.24 2.38 0.12 0.41 3.41 -1.07 -4.60 113.62 113.03 2wcv n SER 37 Ca 0.11 -1.74 -0.22 0.00 -0.26 0.00 0.00 58.87 56.75 2wcv n SER 37 Cb 0.15 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 2wcv n SER 37 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2wcv h MET 38 N 1.81 0.54 0.00 4.33 2.86 -1.60 -3.50 114.93 119.37 2wcv h MET 38 Ca 0.00 -0.82 0.00 0.00 -2.06 0.00 0.00 59.70 56.82 2wcv h MET 38 Cb 0.57 0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2wcv h MET 38 CO 0.00 1.38 0.00 0.41 1.06 0.00 0.00 176.91 179.76 2wcv n GLY 39 N 1.52 3.17 3.58 8.32 0.00 -1.26 -4.25 105.19 116.27 2wcv n GLY 39 Ca -0.14 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2wcv n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wcv s PRO 40 N 0.00 0.00 0.43 1.61 0.04 -1.26 -4.93 135.00 130.89 2wcv s PRO 40 Ca 0.00 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 2wcv s PRO 40 Cb 0.00 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 2wcv s PRO 40 CO 0.00 -3.17 1.42 0.94 0.04 0.00 0.00 177.00 176.23 2wcv n GLN 41 N -4.56 2.30 -5.03 4.56 7.27 -1.26 -4.75 117.38 115.91 2wcv n GLN 41 Ca 0.06 0.81 -0.32 0.00 0.07 0.00 0.00 57.00 57.63 2wcv n GLN 41 Cb 0.54 -2.60 -0.15 0.00 2.41 0.00 0.00 30.24 30.44 2wcv n GLN 41 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wcv s VAL 42 N -1.18 2.66 -0.16 1.69 1.01 -1.26 -1.11 120.40 122.06 2wcv s VAL 42 Ca 0.59 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2wcv s VAL 42 Cb -0.46 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2wcv s VAL 42 CO 0.59 0.57 -0.19 -0.63 0.00 0.00 0.00 175.10 175.45 2wcv s ILE 43 N -0.42 1.91 0.28 2.22 1.01 -0.05 -4.96 121.20 121.19 2wcv s ILE 43 Ca 0.04 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 2wcv s ILE 43 Cb -0.12 -1.73 -0.09 0.00 0.01 0.00 0.00 42.46 40.52 2wcv s ILE 43 CO 0.02 0.52 0.94 -0.13 0.00 0.00 0.00 174.94 176.28 2wcv s ARG 44 N 1.26 4.70 -0.37 2.79 1.81 -1.26 -1.80 118.95 126.08 2wcv s ARG 44 Ca 0.03 1.39 0.13 0.00 -1.72 0.00 0.00 55.73 55.56 2wcv s ARG 44 Cb -0.13 -3.01 0.40 0.00 -0.45 0.00 0.00 34.95 31.75 2wcv s ARG 44 CO -0.10 0.39 1.03 0.00 -0.68 0.00 0.00 175.30 175.94 2wcv n ALA 45 N 0.97 2.00 -0.34 2.13 0.00 0.00 -4.92 120.51 120.36 2wcv n ALA 45 Ca 0.00 -2.49 0.16 0.00 0.00 0.00 0.00 53.44 51.11 2wcv n ALA 45 Cb 0.49 -0.98 0.38 0.00 0.00 0.00 0.00 19.45 19.33 2wcv n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wcv h ASP 46 N 2.74 0.68 -0.13 0.00 3.32 -1.85 -2.33 116.42 118.86 2wcv h ASP 46 Ca -0.10 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wcv h ASP 46 Cb 1.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2wcv h ASP 46 CO 0.30 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 2wcv n GLY 47 N -1.35 -0.13 3.64 2.75 0.00 -1.26 -2.87 105.19 105.97 2wcv n GLY 47 Ca 0.25 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.46 3.11 0.23 0.99 1.43 -0.89 -4.86 118.68 117.23 2wcv s LEU 48 Ca 0.28 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2wcv s LEU 48 Cb 0.14 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2wcv s LEU 48 CO 0.22 -0.10 0.41 -0.76 0.23 0.00 0.00 176.35 176.35 2wcv s LEU 49 N -3.70 4.20 0.23 1.79 1.02 -1.26 0.83 118.68 121.79 2wcv s LEU 49 Ca 0.33 0.37 -0.08 0.00 0.02 0.00 0.00 54.13 54.77 2wcv s LEU 49 Cb -0.04 -3.15 0.22 0.00 0.02 0.00 0.00 46.19 43.23 2wcv s LEU 49 CO 0.20 -0.09 1.89 0.58 0.02 0.00 0.00 176.35 178.95 2wcv h VAL 50 N 1.37 1.18 0.00 -1.59 2.07 -1.91 -0.68 116.25 116.69 2wcv h VAL 50 Ca -0.49 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2wcv h VAL 50 Cb 1.20 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2wcv h VAL 50 CO 0.66 0.20 -0.10 0.77 0.02 0.00 0.00 177.57 179.12 2wcv h SER 51 N 1.10 0.00 -0.05 0.57 4.64 -1.94 0.14 113.55 118.01 2wcv h SER 51 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 2wcv h SER 51 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2wcv h SER 51 CO -0.09 0.10 -0.05 0.44 -0.87 0.00 0.00 176.83 176.36 2wcv h ASP 52 N 0.00 0.13 -0.11 4.97 3.32 -1.52 -2.75 116.42 120.47 2wcv h ASP 52 Ca -0.00 -0.48 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 2wcv h ASP 52 Cb 0.30 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2wcv h ASP 52 CO 0.01 0.58 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.66 2wcv h LEU 53 N -0.32 0.67 -0.46 1.55 -0.00 -1.08 -2.55 115.31 113.12 2wcv h LEU 53 Ca 0.01 -0.30 0.02 0.00 -0.00 0.00 0.00 57.88 57.61 2wcv h LEU 53 Cb 0.54 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2wcv h LEU 53 CO 0.01 0.99 0.27 -0.07 -0.00 0.00 0.00 178.44 179.64 2wcv h LEU 54 N 0.52 0.44 -0.48 1.67 3.38 -1.01 -1.26 115.31 118.57 2wcv h LEU 54 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2wcv h LEU 54 Cb 0.90 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2wcv h LEU 54 CO 0.08 0.31 -0.61 -0.61 0.09 0.00 0.00 178.44 177.70 2wcv h GLN 55 N 0.55 0.50 -0.62 1.13 4.15 -1.47 -2.43 115.11 116.93 2wcv h GLN 55 Ca 0.18 -0.35 -0.09 0.00 0.77 0.00 0.00 58.65 59.17 2wcv h GLN 55 Cb 0.01 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2wcv h GLN 55 CO -0.08 0.96 0.05 0.00 -1.93 0.00 0.00 178.83 177.83 2wcv h ALA 56 N 0.96 0.91 0.05 3.38 0.00 -1.18 -3.27 119.26 120.11 2wcv h ALA 56 Ca -0.01 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 2wcv h ALA 56 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2wcv h ALA 56 CO 0.11 0.66 -1.16 0.82 0.00 0.00 0.00 179.25 179.68 2wcv h ILE 57 N 0.98 1.56 -0.78 0.00 5.03 -1.24 -3.38 117.51 119.67 2wcv h ILE 57 Ca 0.18 -3.22 0.19 0.00 -0.12 0.00 0.00 64.86 61.90 2wcv h ILE 57 Cb 0.49 2.85 -0.04 0.00 -3.03 0.00 0.00 36.82 37.09 2wcv h ILE 57 CO 0.02 0.91 0.54 -0.29 -0.68 0.00 0.00 178.15 178.65 2wcv h ILE 58 N 0.03 0.69 0.00 -0.67 6.09 -1.48 0.55 117.51 122.71 2wcv h ILE 58 Ca -0.08 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2wcv h ILE 58 Cb 1.87 0.45 0.00 0.00 0.47 0.00 0.00 36.82 39.61 2wcv h ILE 58 CO 0.15 0.04 0.00 -0.81 -3.07 0.00 0.00 178.15 174.46 2wcv n PRO 59 N -4.41 0.23 -0.05 2.19 -0.04 -1.26 -3.37 135.00 128.29 2wcv n PRO 59 Ca 0.16 0.08 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2wcv n PRO 59 Cb 0.70 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 2wcv n PRO 59 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wcv n LEU 60 N -1.35 0.09 -4.32 1.53 4.32 0.03 -4.95 117.00 112.34 2wcv n LEU 60 Ca 0.09 -0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.64 2wcv n LEU 60 Cb 0.21 0.22 -0.07 0.00 -1.62 0.00 0.00 43.42 42.15 2wcv n LEU 60 CO 0.19 0.25 0.03 0.12 -1.22 0.00 0.00 177.39 176.76 2wcv s PHE 61 N -2.24 3.29 0.19 -1.77 5.36 -0.29 -5.07 117.98 117.45 2wcv s PHE 61 Ca -0.05 -1.26 -0.30 0.00 -0.96 0.00 0.00 56.93 54.36 2wcv s PHE 61 Cb 0.03 -3.35 -0.08 0.00 -0.34 0.00 0.00 43.02 39.28 2wcv s PHE 61 CO 0.39 -0.89 1.13 -2.00 -1.46 0.00 0.00 175.22 172.39 2wcv s GLU 62 N 1.56 4.56 0.20 10.12 2.56 -1.26 -4.70 118.70 131.73 2wcv s GLU 62 Ca 0.04 1.77 -0.15 0.00 0.00 0.00 0.00 54.97 56.63 2wcv s GLU 62 Cb -0.26 -3.26 -0.07 0.00 2.00 0.00 0.00 34.13 32.54 2wcv s GLU 62 CO 0.04 0.03 0.61 -0.51 -0.56 0.00 0.00 175.26 174.87 2wcv s LEU 63 N -0.42 4.28 0.24 2.70 1.43 -1.26 -1.18 118.68 124.46 2wcv s LEU 63 Ca 0.50 1.15 -0.31 0.00 -1.03 0.00 0.00 54.13 54.43 2wcv s LEU 63 Cb -0.31 -3.50 -0.13 0.00 0.03 0.00 0.00 46.19 42.29 2wcv s LEU 63 CO 0.36 0.02 1.48 -0.67 0.23 0.00 0.00 176.35 177.77 2wcv n ASP 64 N 0.50 3.03 -0.42 2.29 -0.08 0.39 -4.07 116.55 118.19 2wcv n ASP 64 Ca -0.03 1.13 0.04 0.00 -1.51 0.00 0.00 54.79 54.43 2wcv n ASP 64 Cb 0.52 -1.46 0.08 0.00 2.34 0.00 0.00 41.12 42.60 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 2.40 2.27 -0.00 1.67 3.41 -1.26 -4.28 113.62 117.83 2wcv n SER 65 Ca 0.12 -1.72 0.09 0.00 -0.26 0.00 0.00 58.87 57.10 2wcv n SER 65 Cb 0.32 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.36 0.00 -3.77 7.33 4.02 -1.26 -5.02 117.16 118.83 2wcv n TYR 66 Ca 0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.90 2wcv n TYR 66 Cb 0.31 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.58 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 -2.84 -1.42 -0.19 -0.72 0.00 -1.26 -5.10 121.76 110.23 2wcv s ALA 67 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 51.96 51.65 2wcv s ALA 67 Cb 0.14 0.77 -0.11 0.00 0.00 0.00 0.00 23.12 23.92 2wcv s ALA 67 CO 0.78 -1.00 1.99 -2.30 0.00 0.00 0.00 175.76 175.24 2wcv n PRO 68 N -0.44 1.77 0.00 0.00 -0.02 -1.26 -4.77 135.00 130.27 2wcv n PRO 68 Ca -0.06 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 2wcv n PRO 68 Cb 0.60 -2.62 0.31 0.00 -0.02 0.00 0.00 33.50 31.77 2wcv n PRO 68 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wcv n PRO 69 N 7.21 0.23 -3.83 0.52 -0.04 -1.26 -4.77 135.00 133.06 2wcv n PRO 69 Ca 0.29 -0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 2wcv n PRO 69 Cb 0.28 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.86 0.76 -0.06 1.53 1.43 -1.26 -0.95 118.68 117.26 2wcv s LEU 70 Ca 0.15 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2wcv s LEU 70 Cb 0.18 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.91 2wcv s LEU 70 CO 0.64 -0.17 -0.09 -0.69 0.23 0.00 0.00 176.35 176.27 2wcv s VAL 71 N 1.83 0.95 0.53 -1.59 1.01 0.01 -2.50 120.40 120.63 2wcv s VAL 71 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2wcv s VAL 71 Cb -0.12 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.36 2wcv s VAL 71 CO -0.05 0.32 0.11 -0.04 0.00 0.00 0.00 175.10 175.44 2wcv s MET 72 N 0.85 2.22 -0.15 2.72 -1.94 -0.25 0.06 119.30 122.82 2wcv s MET 72 Ca -0.11 -2.33 -0.10 0.00 -1.71 0.00 0.00 55.69 51.44 2wcv s MET 72 Cb -0.15 -1.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.97 2wcv s MET 72 CO 0.01 -0.46 0.19 1.41 -0.01 0.00 0.00 175.02 176.16 2wcv s MET 73 N -4.00 3.96 0.27 2.03 1.75 -1.26 -2.25 119.30 119.80 2wcv s MET 73 Ca 0.11 -0.08 -0.29 0.00 -1.25 0.00 0.00 55.69 54.18 2wcv s MET 73 Cb -0.00 -3.34 -0.09 0.00 2.84 0.00 0.00 34.83 34.24 2wcv s MET 73 CO 0.07 0.46 0.95 0.00 -0.65 0.00 0.00 175.02 175.85 2wcv s ALA 74 N -0.13 3.30 0.36 4.11 0.00 -0.75 -4.80 121.76 123.85 2wcv s ALA 74 Ca 0.13 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 2wcv s ALA 74 Cb -0.12 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2wcv s ALA 74 CO 0.02 0.17 1.41 0.00 0.00 0.00 0.00 175.76 177.36 2wcv s ALA 75 N -1.31 3.53 0.46 0.00 0.00 -1.26 -4.38 121.76 118.81 2wcv s ALA 75 Ca 0.44 1.43 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 2wcv s ALA 75 Cb -0.24 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.25 2wcv s ALA 75 CO 0.30 -0.88 1.15 0.14 0.00 0.00 0.00 175.76 176.47 2wcv s VAL 76 N -1.13 3.18 0.23 0.00 -7.23 -1.26 -4.90 120.40 109.28 2wcv s VAL 76 Ca 0.51 0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 61.25 2wcv s VAL 76 Cb -0.43 -3.43 -0.14 0.00 0.56 0.00 0.00 36.38 32.93 2wcv s VAL 76 CO 0.58 -0.02 1.19 1.21 -0.31 0.00 0.00 175.10 177.75 2wcv n GLU 77 N -0.52 1.50 -0.92 4.82 2.13 -1.26 -1.22 120.64 125.17 2wcv n GLU 77 Ca 0.07 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2wcv n GLU 77 Cb 0.48 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.16 2wcv n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wcv n GLY 78 N 1.74 0.47 3.09 8.31 0.00 -1.26 -5.03 105.19 112.51 2wcv n GLY 78 Ca 0.12 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 2wcv n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wcv s ASP 79 N -2.58 0.57 0.08 1.61 3.68 -0.35 -5.17 116.67 114.50 2wcv s ASP 79 Ca 0.00 -0.95 0.03 0.00 2.13 0.00 0.00 52.55 53.76 2wcv s ASP 79 Cb 0.00 0.17 -0.03 0.00 -1.45 0.00 0.00 42.92 41.61 2wcv s ASP 79 CO 0.00 -0.55 -0.09 0.42 0.13 0.00 0.00 175.17 175.08 2wcv s THR 80 N -3.61 0.82 0.56 1.71 -4.23 -1.26 -4.64 115.64 104.98 2wcv s THR 80 Ca 0.05 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 2wcv s THR 80 Cb 0.06 -1.17 -0.00 0.00 1.34 0.00 0.00 72.50 72.72 2wcv s THR 80 CO -0.08 -0.52 0.86 -0.76 -0.54 0.00 0.00 174.62 173.58 2wcv s LEU 81 N -2.23 3.34 -0.39 4.79 1.43 -1.26 -5.02 118.68 119.35 2wcv s LEU 81 Ca 0.01 0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 2wcv s LEU 81 Cb -0.04 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2wcv s LEU 81 CO -0.00 -0.94 0.35 -0.62 0.23 0.00 0.00 176.35 175.37 2wcv s ASP 82 N -4.26 6.14 0.47 2.29 2.15 -1.26 -4.96 116.67 117.24 2wcv s ASP 82 Ca 0.52 -0.59 0.24 0.00 0.43 0.00 0.00 52.55 53.15 2wcv s ASP 82 Cb -0.10 -2.18 1.27 0.00 -0.30 0.00 0.00 42.92 41.60 2wcv s ASP 82 CO 0.45 -0.43 1.85 1.55 -0.17 0.00 0.00 175.17 178.42 2wcv h PRO 83 N 8.60 0.22 0.00 4.34 0.13 -1.99 -2.44 132.00 140.86 2wcv h PRO 83 Ca -0.28 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2wcv h PRO 83 Cb 1.13 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2wcv h PRO 83 CO 0.72 0.14 -0.14 1.49 -0.23 0.00 0.00 178.00 179.99 2wcv h GLU 84 N 0.22 0.00 0.62 0.86 4.81 -2.01 -3.32 114.58 115.77 2wcv h GLU 84 Ca 0.48 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 2wcv h GLU 84 Cb 1.50 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.88 2wcv h GLU 84 CO -0.12 0.14 -0.30 0.28 -0.73 0.00 0.00 179.01 178.28 2wcv h VAL 85 N 0.00 0.00 -0.98 0.32 2.07 -1.83 -2.67 116.25 113.17 2wcv h VAL 85 Ca -0.00 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2wcv h VAL 85 Cb 0.30 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.00 2wcv h VAL 85 CO 0.02 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.14 2wcv h GLU 86 N -1.13 1.02 -0.59 1.57 4.81 -1.76 -0.99 114.58 117.50 2wcv h GLU 86 Ca -0.09 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 2wcv h GLU 86 Cb 0.64 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2wcv h GLU 86 CO 0.14 0.67 0.04 0.00 -0.73 0.00 0.00 179.01 179.13 2wcv h ARG 87 N 1.05 1.00 -0.35 1.92 3.08 -1.66 -1.10 114.38 118.32 2wcv h ARG 87 Ca 0.45 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2wcv h ARG 87 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2wcv h ARG 87 CO -0.22 0.96 -0.26 -0.09 -1.07 0.00 0.00 179.97 179.29 2wcv h ARG 88 N 0.93 0.73 -0.51 0.04 2.43 -0.97 -1.83 114.38 115.19 2wcv h ARG 88 Ca 0.18 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.91 2wcv h ARG 88 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2wcv h ARG 88 CO 0.02 0.91 -0.17 1.88 -1.51 0.00 0.00 179.97 181.10 2wcv h TYR 89 N 0.63 1.14 -0.16 2.20 -1.99 -0.89 -1.45 116.97 116.45 2wcv h TYR 89 Ca 0.08 -0.26 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 2wcv h TYR 89 Cb 0.77 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 2wcv h TYR 89 CO 0.04 1.09 0.08 0.00 -0.00 0.00 0.00 178.16 179.37 2wcv h ARG 90 N 0.88 0.23 -0.68 4.88 3.08 -1.07 -1.43 114.38 120.27 2wcv h ARG 90 Ca 0.12 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.25 2wcv h ARG 90 Cb 0.75 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 2wcv h ARG 90 CO 0.06 0.24 0.27 -0.91 -1.07 0.00 0.00 179.97 178.57 2wcv h ASN 91 N 0.15 0.28 -0.37 7.04 2.35 -1.15 -1.88 115.58 122.01 2wcv h ASN 91 Ca 0.06 0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2wcv h ASN 91 Cb 0.09 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2wcv h ASN 91 CO -0.01 0.15 0.02 0.00 -1.65 0.00 0.00 177.43 175.94 2wcv h ALA 92 N 1.47 1.18 -0.24 -0.83 0.00 -0.86 -2.94 119.26 117.03 2wcv h ALA 92 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wcv h ALA 92 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wcv h ALA 92 CO -0.34 0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2wcv n LEU 93 N -4.24 2.68 -4.74 0.00 4.77 -0.58 -3.91 117.00 110.98 2wcv n LEU 93 Ca 0.02 -1.35 -0.35 0.00 -0.03 0.00 0.00 56.01 54.30 2wcv n LEU 93 Cb 0.28 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 2wcv n LEU 93 CO 0.41 0.40 -0.27 -0.94 -1.33 0.00 0.00 177.39 175.66 2wcv s SER 94 N -0.43 5.55 0.00 -1.43 1.04 -1.11 -4.26 113.70 113.06 2wcv s SER 94 Ca 0.22 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2wcv s SER 94 Cb 0.16 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2wcv s SER 94 CO 0.08 0.37 0.00 0.00 0.98 0.00 0.00 173.24 174.67 2wcv n ALA 97 N 1.98 -0.78 -1.62 5.32 0.00 -1.26 -4.88 120.51 119.27 2wcv n ALA 97 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2wcv n ALA 97 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 2wcv n ALA 97 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wcv s PRO 98 N 0.00 3.13 -0.15 0.00 0.04 -1.26 -4.98 135.00 131.77 2wcv s PRO 98 Ca 0.00 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 2wcv s PRO 98 Cb 0.00 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2wcv s PRO 98 CO 0.00 -0.98 1.19 0.00 0.04 0.00 0.00 177.00 177.25 2wcv n PRO 100 N 6.19 -0.96 -1.55 0.00 -0.02 -1.26 -4.93 135.00 132.47 2wcv n PRO 100 Ca 0.13 -0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 2wcv n PRO 100 Cb 0.46 -1.93 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 2wcv n PRO 100 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wcv s ASP 101 N -2.11 4.72 -0.08 2.55 2.15 -1.26 -4.99 116.67 117.65 2wcv s ASP 101 Ca 0.60 2.03 0.01 0.00 0.43 0.00 0.00 52.55 55.61 2wcv s ASP 101 Cb -0.19 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 2wcv s ASP 101 CO 0.65 -1.89 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.05 2wcv s ILE 102 N -2.41 3.59 0.10 4.11 1.01 -1.26 -4.49 121.20 121.86 2wcv s ILE 102 Ca 0.67 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.91 2wcv s ILE 102 Cb -0.21 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2wcv s ILE 102 CO 0.46 0.58 -0.26 0.27 0.00 0.00 0.00 174.94 175.98 2wcv s ILE 103 N -0.58 2.25 0.05 2.92 -4.36 -1.04 -4.99 121.20 115.46 2wcv s ILE 103 Ca 0.09 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 2wcv s ILE 103 Cb -0.12 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2wcv s ILE 103 CO 0.02 0.17 0.13 -0.13 0.24 0.00 0.00 174.94 175.37 2wcv s ARG 104 N -1.82 3.14 -0.04 0.37 1.81 -1.26 -1.08 118.95 120.07 2wcv s ARG 104 Ca 0.13 -0.55 -0.06 0.00 -1.72 0.00 0.00 55.73 53.53 2wcv s ARG 104 Cb -0.10 -2.88 0.01 0.00 -0.45 0.00 0.00 34.95 31.53 2wcv s ARG 104 CO 0.05 0.60 0.15 0.96 -0.68 0.00 0.00 175.30 176.38 2wcv s ILE 105 N -1.40 0.03 0.93 1.52 -4.36 -0.95 -4.85 121.20 112.11 2wcv s ILE 105 Ca 0.30 -0.24 -0.14 0.00 -0.26 0.00 0.00 60.65 60.32 2wcv s ILE 105 Cb -0.12 -0.30 0.00 0.00 1.25 0.00 0.00 42.46 43.29 2wcv s ILE 105 CO 0.23 -0.13 0.27 -0.46 0.24 0.00 0.00 174.94 175.09 2wcv n ASN 106 N 2.46 -2.47 0.06 4.36 2.04 -1.26 -1.81 115.26 118.64 2wcv n ASN 106 Ca -0.16 0.34 0.18 0.00 -0.44 0.00 0.00 54.58 54.51 2wcv n ASN 106 Cb 0.58 -1.15 0.70 0.00 -2.53 0.00 0.00 39.78 37.38 2wcv n ASN 106 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2wcv h ARG 107 N -1.34 0.00 -0.10 -3.83 2.43 -1.95 -1.43 114.38 108.17 2wcv h ARG 107 Ca -0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.71 2wcv h ARG 107 Cb 1.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2wcv h ARG 107 CO 0.34 0.00 -0.04 0.35 -1.51 0.00 0.00 179.97 179.10 2wcv h PHE 108 N 0.00 0.23 -0.03 2.20 3.04 -1.97 -1.53 116.94 118.88 2wcv h PHE 108 Ca 0.20 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.99 2wcv h PHE 108 Cb 0.85 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 2wcv h PHE 108 CO 0.00 0.55 -0.49 0.00 -2.02 0.00 0.00 178.31 176.35 2wcv h ALA 109 N 0.64 1.13 -0.14 2.41 0.00 -1.73 -0.65 119.26 120.92 2wcv h ALA 109 Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2wcv h ALA 109 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wcv h ALA 109 CO 0.01 0.63 -0.26 0.35 0.00 0.00 0.00 179.25 179.98 2wcv h PHE 110 N 0.05 0.53 -0.25 0.00 3.57 -1.27 -2.33 116.94 117.25 2wcv h PHE 110 Ca -0.00 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 2wcv h PHE 110 Cb 0.89 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2wcv h PHE 110 CO 0.00 0.88 -0.24 1.88 -2.23 0.00 0.00 178.31 178.60 2wcv h TYR 111 N 0.03 0.53 -0.47 0.41 0.99 -1.18 0.12 116.97 117.40 2wcv h TYR 111 Ca 0.01 -0.11 -0.08 0.00 2.00 0.00 0.00 58.73 60.55 2wcv h TYR 111 Cb 0.84 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 38.42 2wcv h TYR 111 CO 0.10 0.68 -0.02 1.49 -0.00 0.00 0.00 178.16 180.41 2wcv h GLU 112 N 0.42 0.78 0.03 4.88 4.81 -1.07 -0.85 114.58 123.58 2wcv h GLU 112 Ca 0.06 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.86 2wcv h GLU 112 Cb 0.65 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2wcv h GLU 112 CO 0.05 0.80 -0.97 0.00 -0.73 0.00 0.00 179.01 178.16 2wcv h ARG 113 N 0.73 0.18 -0.82 1.92 3.08 -1.00 -3.12 114.38 115.36 2wcv h ARG 113 Ca 0.14 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2wcv h ARG 113 Cb 0.47 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2wcv h ARG 113 CO 0.02 1.01 0.43 0.00 -1.07 0.00 0.00 179.97 180.36 2wcv h ALA 114 N 0.90 1.21 -0.03 0.04 0.00 -0.36 -0.11 119.26 120.91 2wcv h ALA 114 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2wcv h ALA 114 Cb 1.64 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wcv h ALA 114 CO 0.15 0.62 0.03 1.96 0.00 0.00 0.00 179.25 182.01 2wcv h GLN 115 N 1.15 0.00 -0.31 0.00 4.20 -1.10 -2.50 115.11 116.54 2wcv h GLN 115 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2wcv h GLN 115 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2wcv h GLN 115 CO -0.04 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.75 2wcv n LYS 116 N -4.23 2.51 -1.25 1.46 5.02 -0.42 -4.30 118.16 116.96 2wcv n LYS 116 Ca -0.02 -1.95 -0.30 0.00 -2.02 0.00 0.00 58.31 54.02 2wcv n LYS 116 Cb 0.12 -1.28 0.12 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.00 1.85 0.21 7.82 0.00 -0.19 -4.94 121.76 125.51 2wcv s ALA 117 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2wcv s ALA 117 Cb 0.12 -3.22 0.16 0.00 0.00 0.00 0.00 23.12 20.19 2wcv s ALA 117 CO 0.17 -2.10 1.51 0.35 0.00 0.00 0.00 175.76 175.69 2wcv h PHE 118 N -1.36 0.50 -2.24 0.00 3.04 -0.62 -3.42 116.94 112.83 2wcv h PHE 118 Ca -0.47 -0.19 0.16 0.00 3.98 0.00 0.00 57.97 61.45 2wcv h PHE 118 Cb 1.26 -0.09 -0.12 0.00 2.56 0.00 0.00 35.95 39.57 2wcv h PHE 118 CO 0.48 0.90 0.52 0.00 -2.02 0.00 0.00 178.31 178.19 2wcv s ALA 119 N -3.81 -1.77 -0.07 2.41 0.00 -1.24 -4.30 121.76 112.98 2wcv s ALA 119 Ca -0.06 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2wcv s ALA 119 Cb 0.11 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2wcv s ALA 119 CO 0.82 -0.89 -0.02 0.42 0.00 0.00 0.00 175.76 176.09 2wcv s ILE 120 N -3.14 0.53 -0.38 0.00 1.01 -0.27 -1.70 121.20 117.25 2wcv s ILE 120 Ca 0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2wcv s ILE 120 Cb -0.01 -0.63 0.05 0.00 0.01 0.00 0.00 42.46 41.88 2wcv s ILE 120 CO -0.03 0.27 0.21 -0.69 0.00 0.00 0.00 174.94 174.70 2wcv s VAL 121 N 1.70 4.37 -0.17 2.92 1.01 0.21 -0.87 120.40 129.56 2wcv s VAL 121 Ca 0.02 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 2wcv s VAL 121 Cb -0.13 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2wcv s VAL 121 CO -0.05 -0.32 0.55 -0.51 0.00 0.00 0.00 175.10 174.78 2wcv s ILE 122 N 1.49 5.10 0.20 2.22 2.07 -0.74 -0.67 121.20 130.88 2wcv s ILE 122 Ca 0.02 1.05 0.02 0.00 -1.41 0.00 0.00 60.65 60.33 2wcv s ILE 122 Cb -0.20 -3.88 0.02 0.00 0.13 0.00 0.00 42.46 38.53 2wcv s ILE 122 CO 0.05 0.20 0.18 0.35 -1.91 0.00 0.00 174.94 173.81 2wcv n THR 123 N 4.30 0.00 -0.00 4.00 -2.24 -0.58 -0.82 114.28 118.94 2wcv n THR 123 Ca -0.04 -0.77 0.07 0.00 -2.27 0.00 0.00 64.05 61.04 2wcv n THR 123 Cb 0.51 -0.44 0.26 0.00 -2.10 0.00 0.00 70.33 68.56 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 2.58 1.98 3.67 3.38 0.00 0.24 -2.62 105.19 114.43 2wcv n GLY 124 Ca 0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2wcv n GLY 124 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wcv s GLU 125 N -1.72 4.14 0.12 1.61 2.56 -1.13 -4.71 118.70 119.57 2wcv s GLU 125 Ca 0.38 2.61 0.23 0.00 0.00 0.00 0.00 54.97 58.18 2wcv s GLU 125 Cb 0.24 -3.93 -0.01 0.00 2.00 0.00 0.00 34.13 32.43 2wcv s GLU 125 CO 0.19 -0.91 0.98 0.54 -0.56 0.00 0.00 175.26 175.50 2wcv n ARG 126 N 6.77 0.50 -1.12 4.30 5.12 -1.26 -0.06 116.66 130.92 2wcv n ARG 126 Ca 0.19 0.04 -0.33 0.00 -1.93 0.00 0.00 57.85 55.82 2wcv n ARG 126 Cb 0.40 -1.71 0.12 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 -3.33 1.86 0.38 7.54 0.00 -1.26 -4.94 121.76 122.01 2wcv s ALA 127 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 2wcv s ALA 127 Cb 0.12 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2wcv s ALA 127 CO 0.80 -2.25 0.81 0.15 0.00 0.00 0.00 175.76 175.28 2wcv s LYS 128 N -4.26 4.00 -1.47 0.00 1.02 -1.26 -3.90 119.74 113.88 2wcv s LYS 128 Ca 0.71 0.75 -0.05 0.00 0.02 0.00 0.00 55.97 57.40 2wcv s LYS 128 Cb -0.26 -2.34 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2wcv s LYS 128 CO 0.51 0.04 0.58 0.66 -0.92 0.00 0.00 175.35 176.23 2wcv n TYR 129 N -0.71 -1.77 -0.52 3.18 4.02 -1.26 -4.67 117.16 115.43 2wcv n TYR 129 Ca 0.04 0.79 0.08 0.00 -0.01 0.00 0.00 57.90 58.80 2wcv n TYR 129 Cb 0.54 -3.68 0.35 0.00 -0.02 0.00 0.00 39.34 36.53 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 -1.79 2.60 3.77 2.72 0.00 -1.25 -4.82 105.19 106.42 2wcv n GLY 130 Ca -0.19 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.84 7.23 -0.02 1.61 0.01 -1.26 -4.07 114.94 117.60 2wcv s ASN 131 Ca 0.49 1.46 -0.01 0.00 -0.71 0.00 0.00 52.86 54.09 2wcv s ASN 131 Cb 0.32 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.54 2wcv s ASN 131 CO 0.22 0.13 0.05 -0.51 -1.51 0.00 0.00 177.10 175.48 2wcv s ILE 132 N -0.63 -0.01 -0.20 0.60 2.07 -0.72 -4.03 121.20 118.27 2wcv s ILE 132 Ca 0.35 0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.59 2wcv s ILE 132 Cb -0.21 -0.08 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 2wcv s ILE 132 CO 0.23 0.02 -0.01 -0.22 -1.91 0.00 0.00 174.94 173.05 2wcv s LEU 133 N 0.27 3.20 -0.09 8.50 0.20 0.11 -1.24 118.68 129.63 2wcv s LEU 133 Ca -0.02 -0.22 -0.02 0.00 0.69 0.00 0.00 54.13 54.55 2wcv s LEU 133 Cb -0.03 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2wcv s LEU 133 CO -0.01 0.06 0.01 -0.76 -0.29 0.00 0.00 176.35 175.36 2wcv s LEU 134 N 1.02 3.59 -0.17 -0.68 1.02 -0.43 -0.81 118.68 122.23 2wcv s LEU 134 Ca 0.02 0.14 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 2wcv s LEU 134 Cb -0.14 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 2wcv s LEU 134 CO 0.01 0.36 -0.12 -0.75 0.02 0.00 0.00 176.35 175.88 2wcv s LYS 135 N -0.79 3.30 0.34 1.70 2.20 -0.13 -1.52 119.74 124.84 2wcv s LYS 135 Ca 0.12 -0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 54.77 2wcv s LYS 135 Cb -0.11 -2.74 -0.09 0.00 -1.51 0.00 0.00 37.83 33.38 2wcv s LYS 135 CO 0.02 -0.01 1.03 0.21 -0.36 0.00 0.00 175.35 176.24 2wcv s LYS 136 N 0.91 4.42 0.00 4.03 2.20 -0.19 -0.46 119.74 130.65 2wcv s LYS 136 Ca -0.03 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 2wcv s LYS 136 Cb -0.15 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 2wcv s LYS 136 CO -0.01 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 2wcv n GLY 137 N 0.66 2.50 3.49 5.54 0.00 -0.32 -0.69 105.19 116.37 2wcv n GLY 137 Ca 0.02 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 3.55 4.87 0.00 1.61 1.01 -1.26 -4.03 120.40 126.14 2wcv s VAL 138 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2wcv s VAL 138 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 2wcv s VAL 138 CO 0.00 0.10 1.73 -0.89 0.00 0.00 0.00 175.10 176.04 2wcv s THR 139 N 1.67 3.30 -2.05 3.92 2.01 -1.26 -4.94 115.64 118.28 2wcv s THR 139 Ca 0.06 0.48 0.32 0.00 0.31 0.00 0.00 61.69 62.85 2wcv s THR 139 Cb -0.17 -3.31 0.88 0.00 0.01 0.00 0.00 72.50 69.91 2wcv s THR 139 CO 0.08 -0.03 2.19 -0.81 -0.69 0.00 0.00 174.62 175.35