#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 2.08 0.45 3.17 1.43 -1.26 -5.15 118.68 119.40 2wcv s LEU 2 Ca 0.00 -0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 52.09 2wcv s LEU 2 Cb 0.00 0.48 -0.10 0.00 0.03 0.00 0.00 46.19 46.61 2wcv s LEU 2 CO 0.00 -0.60 1.00 -0.54 0.23 0.00 0.00 176.35 176.44 2wcv s LYS 3 N -3.54 4.04 0.00 1.70 1.02 -1.26 -3.61 119.74 118.09 2wcv s LYS 3 Ca 0.03 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.32 2wcv s LYS 3 Cb 0.05 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2wcv s LYS 3 CO -0.09 -0.21 0.00 0.25 -0.92 0.00 0.00 175.35 174.38 2wcv n THR 4 N -0.65 0.00 -4.98 2.17 -2.24 -1.26 -4.97 114.28 102.35 2wcv n THR 4 Ca 0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 2wcv n THR 4 Cb 0.53 -0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.62 1.71 0.20 2.28 1.01 -1.24 -5.10 121.20 117.44 2wcv s ILE 5 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 2wcv s ILE 5 Cb 0.00 -1.49 -0.15 0.00 0.01 0.00 0.00 42.46 40.83 2wcv s ILE 5 CO 0.00 0.48 1.23 -0.24 0.00 0.00 0.00 174.94 176.41 2wcv n SER 6 N 3.56 1.77 0.10 3.58 2.88 -1.26 -4.60 113.62 119.65 2wcv n SER 6 Ca -0.20 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 2wcv n SER 6 Cb 0.53 -1.28 0.46 0.00 -0.75 0.00 0.00 64.21 63.16 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 1.78 0.19 0.18 -1.46 -0.04 -1.26 -2.87 135.00 131.52 2wcv n PRO 7 Ca 0.14 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 64.05 2wcv n PRO 7 Cb 0.27 -1.80 0.59 0.00 -0.04 0.00 0.00 33.50 32.52 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 -8.73 1.53 4.07 -1.97 -3.41 115.31 106.80 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 0.48 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.09 2wcv h LEU 8 CO 0.00 0.00 0.17 -0.63 -1.08 0.00 0.00 178.44 176.90 2wcv s ILE 9 N -3.47 4.85 0.78 1.22 1.01 -1.14 -5.04 121.20 119.42 2wcv s ILE 9 Ca 0.02 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 2wcv s ILE 9 Cb 0.09 -4.13 0.06 0.00 0.01 0.00 0.00 42.46 38.50 2wcv s ILE 9 CO 0.42 -0.41 1.12 -0.94 0.00 0.00 0.00 174.94 175.13 2wcv s SER 10 N 1.86 4.23 0.26 3.58 1.04 -1.26 -4.78 113.70 118.62 2wcv s SER 10 Ca 0.25 1.99 -0.03 0.00 0.48 0.00 0.00 55.95 58.64 2wcv s SER 10 Cb -0.14 -2.54 0.42 0.00 0.10 0.00 0.00 66.02 63.86 2wcv s SER 10 CO 0.16 -2.22 1.84 -0.65 0.98 0.00 0.00 173.24 173.35 2wcv h PRO 11 N -1.00 0.92 -0.48 4.02 0.11 -1.96 -0.84 132.00 132.77 2wcv h PRO 11 Ca -0.44 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2wcv h PRO 11 Cb 1.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2wcv h PRO 11 CO 0.49 0.61 -0.04 1.49 -0.21 0.00 0.00 178.00 180.34 2wcv h GLU 12 N 0.95 0.83 -0.15 1.05 4.57 -1.99 -1.73 114.58 118.09 2wcv h GLU 12 Ca 0.42 -0.25 -0.15 0.00 -1.18 0.00 0.00 59.36 58.20 2wcv h GLU 12 Cb 0.32 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2wcv h GLU 12 CO -0.22 0.86 -0.54 1.25 -1.18 0.00 0.00 179.01 179.18 2wcv h LEU 13 N 0.76 0.49 -0.48 1.64 5.85 -1.67 -0.86 115.31 121.04 2wcv h LEU 13 Ca 0.14 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wcv h LEU 13 Cb 0.52 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2wcv h LEU 13 CO 0.03 0.93 0.15 0.25 -0.34 0.00 0.00 178.44 179.46 2wcv h LEU 14 N 0.34 0.69 -0.06 2.25 5.85 -0.95 0.63 115.31 124.06 2wcv h LEU 14 Ca 0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2wcv h LEU 14 Cb 1.05 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2wcv h LEU 14 CO 0.09 0.71 0.04 0.50 -0.34 0.00 0.00 178.44 179.44 2wcv h LYS 15 N 0.63 0.07 -0.35 1.25 3.64 -1.10 -1.73 116.57 118.99 2wcv h LYS 15 Ca 0.15 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2wcv h LYS 15 Cb 0.26 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2wcv h LYS 15 CO -0.01 0.07 0.11 0.28 -2.27 0.00 0.00 179.45 177.64 2wcv h VAL 16 N 0.05 0.88 -0.72 2.00 2.07 -0.85 -0.04 116.25 119.65 2wcv h VAL 16 Ca 0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2wcv h VAL 16 Cb 0.02 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2wcv h VAL 16 CO -0.00 0.05 0.36 -0.07 0.02 0.00 0.00 177.57 177.92 2wcv h LEU 17 N 0.25 0.90 -0.66 2.57 3.38 -0.73 -1.73 115.31 119.29 2wcv h LEU 17 Ca 0.16 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2wcv h LEU 17 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2wcv h LEU 17 CO -0.18 0.75 -0.52 0.00 0.09 0.00 0.00 178.44 178.58 2wcv h ALA 18 N 1.39 0.85 0.00 1.53 0.00 -0.75 -3.14 119.26 119.14 2wcv h ALA 18 Ca 0.25 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2wcv h ALA 18 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2wcv h ALA 18 CO -0.04 0.68 -0.56 0.93 0.00 0.00 0.00 179.25 180.26 2wcv h GLU 19 N 0.31 0.00 -6.97 0.00 5.08 -0.54 -3.45 114.58 109.00 2wcv h GLU 19 Ca 0.01 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.84 2wcv h GLU 19 Cb 1.02 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.37 2wcv h GLU 19 CO 0.09 0.56 0.65 -1.64 -1.00 0.00 0.00 179.01 177.67 2wcv s MET 20 N -3.51 3.79 0.15 2.33 -1.94 -0.69 -5.02 119.30 114.41 2wcv s MET 20 Ca -0.00 2.27 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 2wcv s MET 20 Cb 0.12 -2.68 -0.00 0.00 2.01 0.00 0.00 34.83 34.28 2wcv s MET 20 CO 0.74 -0.68 0.00 0.41 -0.01 0.00 0.00 175.02 175.48 2wcv n GLY 21 N 0.62 4.01 3.68 -0.03 0.00 -1.26 -5.02 105.19 107.18 2wcv n GLY 21 Ca 0.05 -2.25 -0.46 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.38 2.40 0.00 1.61 -0.00 -1.25 -1.82 115.22 115.78 2wcv n HIS 22 Ca -0.06 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2wcv n HIS 22 Cb 0.19 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.36 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 3.22 3.75 1.57 0.00 0.05 -4.99 105.19 113.14 2wcv n GLY 23 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.09 5.14 0.01 1.61 1.01 -0.76 -4.63 116.67 117.97 2wcv s ASP 24 Ca 0.00 2.72 0.08 0.00 0.71 0.00 0.00 52.55 56.06 2wcv s ASP 24 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2wcv s ASP 24 CO 0.00 -1.65 -0.26 -1.61 0.21 0.00 0.00 175.17 171.86 2wcv s GLU 25 N -3.02 1.95 -0.02 8.23 2.02 -1.26 -1.26 118.70 125.35 2wcv s GLU 25 Ca 0.74 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.76 2wcv s GLU 25 Cb -0.39 -1.99 -0.00 0.00 0.10 0.00 0.00 34.13 31.84 2wcv s GLU 25 CO 0.45 0.53 -0.10 -1.50 0.02 0.00 0.00 175.26 174.67 2wcv s ILE 26 N -0.69 0.80 -0.12 -1.63 2.07 -0.00 0.60 121.20 122.23 2wcv s ILE 26 Ca 0.11 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.92 2wcv s ILE 26 Cb -0.10 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 2wcv s ILE 26 CO 0.00 0.24 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.60 2wcv s ILE 27 N -0.03 3.93 -0.39 2.00 1.01 -0.70 -0.63 121.20 126.39 2wcv s ILE 27 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 2wcv s ILE 27 Cb -0.06 -2.68 0.09 0.00 0.01 0.00 0.00 42.46 39.82 2wcv s ILE 27 CO 0.00 0.54 0.18 -0.36 0.00 0.00 0.00 174.94 175.30 2wcv s PHE 28 N -0.17 3.46 0.36 3.97 0.40 -0.41 0.32 117.98 125.90 2wcv s PHE 28 Ca 0.03 -2.07 0.03 0.00 -0.60 0.00 0.00 56.93 54.32 2wcv s PHE 28 Cb -0.13 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 2wcv s PHE 28 CO 0.02 -0.91 0.54 -1.54 0.70 0.00 0.00 175.22 174.03 2wcv s SER 29 N 1.79 6.09 0.86 1.36 1.04 -0.41 -1.31 113.70 123.12 2wcv s SER 29 Ca 0.04 0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 2wcv s SER 29 Cb -0.22 -1.67 0.14 0.00 0.10 0.00 0.00 66.02 64.37 2wcv s SER 29 CO -0.02 -0.41 1.21 1.51 0.98 0.00 0.00 173.24 176.51 2wcv s ASP 30 N -4.11 3.84 0.15 7.02 1.47 -1.25 -1.67 116.67 122.11 2wcv s ASP 30 Ca 0.43 0.35 0.15 0.00 1.18 0.00 0.00 52.55 54.65 2wcv s ASP 30 Cb -0.10 -0.63 0.69 0.00 -0.34 0.00 0.00 42.92 42.55 2wcv s ASP 30 CO 0.34 -2.27 1.45 0.00 0.68 0.00 0.00 175.17 175.38 2wcv n ALA 31 N -3.43 1.31 0.64 2.11 0.00 0.80 -2.80 120.51 119.14 2wcv n ALA 31 Ca 0.12 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.74 2wcv n ALA 31 Cb 0.60 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.85 2wcv n ALA 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wcv n HIS 32 N -1.89 0.22 -1.90 0.00 8.25 -1.26 -4.98 115.22 113.66 2wcv n HIS 32 Ca 0.01 0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 2wcv n HIS 32 Cb 0.10 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 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 -3.17 2.78 -1.47 4.41 5.36 -1.12 -4.89 117.98 119.87 2wcv s PHE 33 Ca 0.05 1.14 -0.09 0.00 -0.96 0.00 0.00 56.93 57.06 2wcv s PHE 33 Cb 0.15 -3.93 -0.08 0.00 -0.34 0.00 0.00 43.02 38.82 2wcv s PHE 33 CO 0.80 -2.80 2.96 -0.35 -1.46 0.00 0.00 175.22 174.37 2wcv n PRO 34 N 1.09 3.67 -0.35 10.12 -0.04 -1.26 -4.70 135.00 143.52 2wcv n PRO 34 Ca 0.03 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2wcv n PRO 34 Cb 0.40 -2.72 0.14 0.00 -0.04 0.00 0.00 33.50 31.28 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 4.80 1.28 0.00 0.55 0.00 -1.95 -3.08 119.26 120.86 2wcv h ALA 35 Ca 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.69 2wcv h ALA 35 Cb 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wcv h ALA 35 CO 1.64 0.45 0.00 0.72 0.00 0.00 0.00 179.25 182.06 2wcv n HIS 36 N -4.51 0.46 0.60 0.00 8.25 -1.26 -2.98 115.22 115.78 2wcv n HIS 36 Ca 0.13 0.17 0.07 0.00 -0.26 0.00 0.00 57.72 57.83 2wcv n HIS 36 Cb 0.13 -0.77 0.05 0.00 1.12 0.00 0.00 29.99 30.51 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 -1.91 2.11 -0.09 0.41 3.41 -1.16 -4.56 113.62 111.83 2wcv n SER 37 Ca 0.03 -1.55 -0.14 0.00 -0.26 0.00 0.00 58.87 56.95 2wcv n SER 37 Cb 0.24 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 2.66 0.88 0.00 4.33 4.05 -1.58 -3.49 114.93 121.78 2wcv h MET 38 Ca 0.00 -0.52 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 2wcv h MET 38 Cb 0.58 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 2wcv h MET 38 CO 0.00 1.16 0.00 0.41 0.23 0.00 0.00 176.91 178.71 2wcv n GLY 39 N 0.26 3.21 3.64 1.39 0.00 -1.26 -4.36 105.19 108.06 2wcv n GLY 39 Ca -0.03 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 0.66 0.45 1.61 0.04 -1.26 -4.94 135.00 131.55 2wcv s PRO 40 Ca 0.00 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 2wcv s PRO 40 Cb 0.00 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 2wcv s PRO 40 CO 0.00 -2.75 1.37 0.00 0.04 0.00 0.00 177.00 175.67 2wcv n GLN 41 N -4.28 2.12 -4.97 4.56 10.64 -1.26 -4.73 117.38 119.46 2wcv n GLN 41 Ca 0.08 0.76 -0.32 0.00 -1.83 0.00 0.00 57.00 55.68 2wcv n GLN 41 Cb 0.53 -2.55 -0.15 0.00 -0.86 0.00 0.00 30.24 27.22 2wcv n GLN 41 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2wcv s VAL 42 N -1.20 2.71 -0.14 -0.39 1.01 -1.26 -1.33 120.40 119.81 2wcv s VAL 42 Ca 0.61 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2wcv s VAL 42 Cb -0.47 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 2wcv s VAL 42 CO 0.57 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 175.43 2wcv s ILE 43 N -0.02 2.56 0.02 2.22 1.01 -0.00 -4.98 121.20 122.00 2wcv s ILE 43 Ca -0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2wcv s ILE 43 Cb -0.14 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.21 2wcv s ILE 43 CO 0.04 0.53 0.40 -0.13 0.00 0.00 0.00 174.94 175.78 2wcv s ARG 44 N 0.63 3.85 -0.33 2.79 0.52 -1.26 -1.45 118.95 123.70 2wcv s ARG 44 Ca -0.09 0.32 0.17 0.00 -0.52 0.00 0.00 55.73 55.61 2wcv s ARG 44 Cb -0.16 -3.15 0.45 0.00 0.52 0.00 0.00 34.95 32.62 2wcv s ARG 44 CO 0.03 0.65 0.95 0.00 0.02 0.00 0.00 175.30 176.95 2wcv n ALA 45 N 1.54 3.41 -1.70 2.13 0.00 0.10 -4.91 120.51 121.09 2wcv n ALA 45 Ca -0.12 -3.18 -0.43 0.00 0.00 0.00 0.00 53.44 49.71 2wcv n ALA 45 Cb 0.52 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 2wcv n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wcv n ASP 46 N -0.06 2.94 0.00 0.00 8.00 -1.24 -1.99 116.55 124.20 2wcv n ASP 46 Ca 0.10 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.78 2wcv n ASP 46 Cb 0.81 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 2wcv n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wcv n GLY 47 N 1.39 1.91 3.81 0.44 0.00 -1.26 -4.75 105.19 106.73 2wcv n GLY 47 Ca 0.07 0.00 -0.32 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 3.97 0.22 0.99 1.43 -0.84 -4.76 118.68 119.70 2wcv s LEU 48 Ca 0.00 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 2wcv s LEU 48 Cb 0.00 -2.47 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 2wcv s LEU 48 CO 0.00 0.23 0.66 -0.76 0.23 0.00 0.00 176.35 176.71 2wcv s LEU 49 N -2.07 4.27 0.20 1.79 1.43 -1.26 0.80 118.68 123.84 2wcv s LEU 49 Ca 0.27 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.52 2wcv s LEU 49 Cb -0.12 -3.61 0.20 0.00 0.03 0.00 0.00 46.19 42.69 2wcv s LEU 49 CO 0.19 -0.01 1.82 0.58 0.23 0.00 0.00 176.35 179.16 2wcv h VAL 50 N 2.53 1.02 -0.36 -1.59 2.07 -1.92 -1.82 116.25 116.18 2wcv h VAL 50 Ca -0.48 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2wcv h VAL 50 Cb 1.19 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2wcv h VAL 50 CO 0.66 0.13 0.22 0.77 0.02 0.00 0.00 177.57 179.37 2wcv h SER 51 N 0.73 0.42 0.67 0.57 4.64 -1.94 -0.37 113.55 118.28 2wcv h SER 51 Ca 0.28 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 2wcv h SER 51 Cb 0.10 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2wcv h SER 51 CO -0.14 0.32 -0.48 0.44 -0.87 0.00 0.00 176.83 176.09 2wcv h ASP 52 N 0.49 0.00 0.08 4.97 3.32 -1.73 -2.43 116.42 121.12 2wcv h ASP 52 Ca 0.13 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2wcv h ASP 52 Cb -0.03 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.54 2wcv h ASP 52 CO -0.03 0.48 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.17 2wcv h LEU 53 N 0.00 0.51 -0.75 1.55 -0.00 -0.86 -3.06 115.31 112.70 2wcv h LEU 53 Ca -0.00 -0.86 0.06 0.00 -0.00 0.00 0.00 57.88 57.07 2wcv h LEU 53 Cb 0.95 -0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 41.39 2wcv h LEU 53 CO 0.06 1.32 0.45 -0.07 -0.00 0.00 0.00 178.44 180.20 2wcv h LEU 54 N -0.23 0.68 -1.40 1.67 4.07 -1.06 0.85 115.31 119.89 2wcv h LEU 54 Ca -0.11 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 2wcv h LEU 54 Cb 1.51 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 2wcv h LEU 54 CO 0.14 0.44 -0.28 -0.61 -1.08 0.00 0.00 178.44 177.05 2wcv h GLN 55 N 0.81 0.00 0.07 1.13 4.15 -1.53 0.97 115.11 120.71 2wcv h GLN 55 Ca 0.33 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.49 2wcv h GLN 55 Cb 0.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2wcv h GLN 55 CO -0.18 0.28 -1.30 0.00 -1.93 0.00 0.00 178.83 175.70 2wcv h ALA 56 N 1.72 0.32 0.04 3.38 0.00 -1.14 -3.38 119.26 120.20 2wcv h ALA 56 Ca -0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 54.91 53.57 2wcv h ALA 56 Cb 0.60 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2wcv h ALA 56 CO 0.04 1.19 -1.70 0.82 0.00 0.00 0.00 179.25 179.60 2wcv h ILE 57 N 0.04 0.90 -0.98 0.00 5.03 -0.64 -3.40 117.51 118.45 2wcv h ILE 57 Ca -0.14 -2.69 0.22 0.00 -0.12 0.00 0.00 64.86 62.13 2wcv h ILE 57 Cb 1.92 2.51 -0.09 0.00 -3.03 0.00 0.00 36.82 38.13 2wcv h ILE 57 CO 0.15 0.64 0.63 -0.29 -0.68 0.00 0.00 178.15 178.60 2wcv h ILE 58 N 0.02 0.63 0.00 -0.67 6.09 -0.98 0.22 117.51 122.81 2wcv h ILE 58 Ca -0.29 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 2wcv h ILE 58 Cb 2.00 0.08 0.00 0.00 0.47 0.00 0.00 36.82 39.37 2wcv h ILE 58 CO 0.09 0.09 0.00 -0.81 -3.07 0.00 0.00 178.15 174.46 2wcv n PRO 59 N -4.63 0.08 -0.00 2.19 -0.04 -1.26 -2.97 135.00 128.36 2wcv n PRO 59 Ca 0.23 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.93 2wcv n PRO 59 Cb 0.73 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.41 0.00 -4.56 1.53 4.32 -0.06 -5.00 117.00 111.82 2wcv n LEU 60 Ca 0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.64 2wcv n LEU 60 Cb 0.13 0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 41.85 2wcv n LEU 60 CO 0.11 0.01 -0.06 0.12 -1.22 0.00 0.00 177.39 176.36 2wcv s PHE 61 N -2.16 3.22 -0.15 -1.77 5.36 -0.46 -5.06 117.98 116.96 2wcv s PHE 61 Ca -0.01 0.03 -0.23 0.00 -0.96 0.00 0.00 56.93 55.75 2wcv s PHE 61 Cb 0.02 -2.52 -0.02 0.00 -0.34 0.00 0.00 43.02 40.15 2wcv s PHE 61 CO 0.11 -0.31 0.73 -2.00 -1.46 0.00 0.00 175.22 172.30 2wcv s GLU 62 N 1.87 4.31 0.23 10.12 2.56 -1.26 -4.77 118.70 131.77 2wcv s GLU 62 Ca 0.09 0.85 -0.30 0.00 0.00 0.00 0.00 54.97 55.62 2wcv s GLU 62 Cb -0.17 -3.54 -0.09 0.00 2.00 0.00 0.00 34.13 32.33 2wcv s GLU 62 CO 0.11 -0.20 0.93 -0.51 -0.56 0.00 0.00 175.26 175.03 2wcv s LEU 63 N 1.72 4.65 0.29 2.70 1.43 -1.26 0.61 118.68 128.82 2wcv s LEU 63 Ca 0.35 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 2wcv s LEU 63 Cb -0.17 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.36 2wcv s LEU 63 CO 0.13 0.16 1.48 -0.62 0.23 0.00 0.00 176.35 177.73 2wcv s ASP 64 N -1.17 6.53 0.00 2.29 2.15 -0.06 -4.10 116.67 122.31 2wcv s ASP 64 Ca 0.41 2.82 0.10 0.00 0.43 0.00 0.00 52.55 56.31 2wcv s ASP 64 Cb -0.26 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.73 2wcv s ASP 64 CO 0.32 -0.77 0.65 -1.54 -0.17 0.00 0.00 175.17 173.65 2wcv n SER 65 N 1.76 1.27 0.04 -0.34 3.41 -1.26 -4.08 113.62 114.41 2wcv n SER 65 Ca 0.05 -1.13 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 2wcv n SER 65 Cb 0.39 0.42 0.39 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 -0.17 0.32 -3.53 7.33 4.02 -1.26 -4.91 117.16 118.96 2wcv n TYR 66 Ca 0.04 0.09 -0.09 0.00 -0.01 0.00 0.00 57.90 57.94 2wcv n TYR 66 Cb 0.21 -0.57 -0.02 0.00 -0.02 0.00 0.00 39.34 38.94 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 -3.06 -1.69 -0.21 -0.72 0.00 -1.26 -5.11 121.76 109.70 2wcv s ALA 67 Ca 0.11 0.66 -0.35 0.00 0.00 0.00 0.00 51.96 52.38 2wcv s ALA 67 Cb 0.16 0.62 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 2wcv s ALA 67 CO 0.62 -0.78 1.97 -0.35 0.00 0.00 0.00 175.76 177.23 2wcv n PRO 68 N -0.33 1.64 0.06 0.00 -0.04 -1.26 -4.75 135.00 130.33 2wcv n PRO 68 Ca -0.11 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2wcv n PRO 68 Cb 0.63 -2.53 0.45 0.00 -0.04 0.00 0.00 33.50 32.01 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 7.03 0.16 -3.95 0.54 -0.04 -1.26 -4.80 135.00 132.68 2wcv n PRO 69 Ca 0.29 0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 63.59 2wcv n PRO 69 Cb 0.25 -1.68 -0.17 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.92 1.52 -0.08 1.53 1.43 -1.26 -1.23 118.68 116.67 2wcv s LEU 70 Ca 0.11 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2wcv s LEU 70 Cb 0.15 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2wcv s LEU 70 CO 0.59 -0.11 -0.16 -0.69 0.23 0.00 0.00 176.35 176.22 2wcv s VAL 71 N 1.59 1.42 0.33 -1.59 1.01 -0.57 -1.91 120.40 120.68 2wcv s VAL 71 Ca 0.04 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2wcv s VAL 71 Cb -0.13 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 2wcv s VAL 71 CO -0.09 0.42 -0.06 -0.04 0.00 0.00 0.00 175.10 175.32 2wcv s MET 72 N 0.65 1.75 -0.10 2.72 -1.94 0.67 0.30 119.30 123.34 2wcv s MET 72 Ca -0.14 -1.91 -0.21 0.00 -1.71 0.00 0.00 55.69 51.72 2wcv s MET 72 Cb -0.16 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.14 2wcv s MET 72 CO 0.04 0.07 0.59 1.41 -0.01 0.00 0.00 175.02 177.13 2wcv s MET 73 N -3.67 4.37 0.36 2.03 1.75 -1.25 -1.58 119.30 121.30 2wcv s MET 73 Ca 0.32 0.66 -0.26 0.00 -1.25 0.00 0.00 55.69 55.16 2wcv s MET 73 Cb 0.04 -3.46 -0.09 0.00 2.84 0.00 0.00 34.83 34.16 2wcv s MET 73 CO 0.15 0.07 1.12 0.00 -0.65 0.00 0.00 175.02 175.71 2wcv s ALA 74 N 0.86 3.23 0.56 4.11 0.00 -0.17 -4.83 121.76 125.51 2wcv s ALA 74 Ca 0.31 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 52.95 2wcv s ALA 74 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2wcv s ALA 74 CO 0.14 -0.33 1.31 0.00 0.00 0.00 0.00 175.76 176.87 2wcv s ALA 75 N -1.39 2.71 0.46 0.00 0.00 -1.26 -4.41 121.76 117.87 2wcv s ALA 75 Ca 0.53 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.65 2wcv s ALA 75 Cb -0.29 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 2wcv s ALA 75 CO 0.37 -1.33 0.79 0.14 0.00 0.00 0.00 175.76 175.73 2wcv s VAL 76 N -1.38 4.86 -0.47 0.00 -7.23 -1.26 -4.90 120.40 110.02 2wcv s VAL 76 Ca 0.74 0.37 -0.42 0.00 -1.81 0.00 0.00 61.98 60.86 2wcv s VAL 76 Cb -0.38 -3.82 -0.18 0.00 0.56 0.00 0.00 36.38 32.56 2wcv s VAL 76 CO 0.43 -0.74 1.80 -1.84 -0.31 0.00 0.00 175.10 174.43 2wcv n GLU 77 N -1.93 0.00 0.00 4.82 0.28 -1.26 -0.39 120.64 122.15 2wcv n GLU 77 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2wcv n GLU 77 Cb 0.55 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 32.01 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 5.68 3.07 3.86 -1.84 0.00 -1.26 -5.07 105.19 109.63 2wcv n GLY 78 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.80 6.67 -0.10 1.61 1.01 0.47 -5.08 116.67 120.45 2wcv s ASP 79 Ca 0.00 1.14 0.01 0.00 0.71 0.00 0.00 52.55 54.40 2wcv s ASP 79 Cb 0.00 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2wcv s ASP 79 CO 0.00 -0.22 -0.12 -0.89 0.21 0.00 0.00 175.17 174.15 2wcv s THR 80 N -2.03 3.17 -0.12 -1.27 2.01 -1.26 -4.72 115.64 111.41 2wcv s THR 80 Ca 0.51 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 2wcv s THR 80 Cb -0.10 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2wcv s THR 80 CO 0.22 0.55 0.15 -1.48 -0.69 0.00 0.00 174.62 173.36 2wcv s LEU 81 N -0.06 4.37 -0.40 4.42 2.34 -1.26 -5.05 118.68 123.04 2wcv s LEU 81 Ca -0.02 0.46 -0.29 0.00 0.06 0.00 0.00 54.13 54.34 2wcv s LEU 81 Cb -0.14 -2.09 0.01 0.00 -0.56 0.00 0.00 46.19 43.42 2wcv s LEU 81 CO 0.04 0.38 1.33 -0.62 -1.06 0.00 0.00 176.35 176.43 2wcv s ASP 82 N -0.89 6.46 0.30 1.48 3.68 -1.26 -4.90 116.67 121.54 2wcv s ASP 82 Ca 0.15 0.83 0.21 0.00 2.13 0.00 0.00 52.55 55.87 2wcv s ASP 82 Cb -0.12 -2.54 1.10 0.00 -1.45 0.00 0.00 42.92 39.91 2wcv s ASP 82 CO 0.04 -1.33 1.64 -0.81 0.13 0.00 0.00 175.17 174.84 2wcv n PRO 83 N 7.87 0.14 0.07 4.34 -0.04 -1.26 -2.05 135.00 144.07 2wcv n PRO 83 Ca 0.15 0.60 -0.02 0.00 -0.04 0.00 0.00 63.50 64.19 2wcv n PRO 83 Cb 0.48 -1.93 0.23 0.00 -0.04 0.00 0.00 33.50 32.24 2wcv n PRO 83 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2wcv h GLU 84 N 0.00 0.32 0.26 0.54 4.22 -1.99 -2.74 114.58 115.19 2wcv h GLU 84 Ca 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 2wcv h GLU 84 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wcv h GLU 84 CO 0.00 0.62 -0.12 0.28 -2.18 0.00 0.00 179.01 177.61 2wcv h VAL 85 N 0.28 0.00 -0.39 0.32 2.07 -1.83 -1.92 116.25 114.77 2wcv h VAL 85 Ca 0.03 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2wcv h VAL 85 Cb 0.73 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2wcv h VAL 85 CO 0.06 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.89 2wcv h GLU 86 N -0.39 0.00 -0.12 1.57 4.81 -1.73 -0.98 114.58 117.74 2wcv h GLU 86 Ca -0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2wcv h GLU 86 Cb 0.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2wcv h GLU 86 CO 0.06 0.00 0.01 -0.09 -0.73 0.00 0.00 179.01 178.26 2wcv h ARG 87 N 0.00 0.21 0.00 1.92 2.43 -1.38 -1.96 114.38 115.60 2wcv h ARG 87 Ca 0.19 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2wcv h ARG 87 Cb 0.83 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2wcv h ARG 87 CO -0.00 0.43 0.00 0.07 -1.51 0.00 0.00 179.97 178.96 2wcv h ARG 88 N -0.04 0.00 -0.03 0.20 0.11 -0.40 -2.64 114.38 111.57 2wcv h ARG 88 Ca 0.04 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.04 2wcv h ARG 88 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2wcv h ARG 88 CO 0.00 0.00 -0.28 1.88 0.10 0.00 0.00 179.97 181.67 2wcv h TYR 89 N 0.00 0.35 -0.61 4.08 -1.99 -1.12 -2.25 116.97 115.43 2wcv h TYR 89 Ca 0.00 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 2wcv h TYR 89 Cb 0.76 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.41 2wcv h TYR 89 CO 0.00 0.92 0.22 0.00 -0.00 0.00 0.00 178.16 179.30 2wcv h ARG 90 N -0.32 0.90 -0.16 4.88 3.08 -1.35 -0.89 114.38 120.51 2wcv h ARG 90 Ca -0.03 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2wcv h ARG 90 Cb 0.97 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2wcv h ARG 90 CO 0.06 0.75 0.07 -0.97 -1.07 0.00 0.00 179.97 178.80 2wcv h ASN 91 N 0.88 0.23 -0.76 7.04 -1.24 -1.49 -0.40 115.58 119.84 2wcv h ASN 91 Ca 0.20 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 2wcv h ASN 91 Cb 0.20 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 2wcv h ASN 91 CO -0.02 0.32 0.44 0.00 -1.29 0.00 0.00 177.43 176.88 2wcv h ALA 92 N 0.91 1.31 0.00 1.57 0.00 -1.11 -1.74 119.26 120.21 2wcv h ALA 92 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wcv h ALA 92 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wcv h ALA 92 CO -0.00 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.74 2wcv h LEU 93 N 1.07 0.00 -3.52 0.00 3.38 -0.86 -3.11 115.31 112.28 2wcv h LEU 93 Ca 0.27 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.92 2wcv h LEU 93 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 2wcv h LEU 93 CO -0.05 0.00 0.41 -1.20 0.09 0.00 0.00 178.44 177.70 2wcv n SER 94 N -2.61 3.94 -0.12 -0.43 7.64 -0.19 -4.39 113.62 117.46 2wcv n SER 94 Ca 0.03 -3.19 -0.05 0.00 1.01 0.00 0.00 58.87 56.67 2wcv n SER 94 Cb 0.35 -0.75 0.03 0.00 -1.01 0.00 0.00 64.21 62.82 2wcv n SER 94 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2wcv h LEU 95 N 1.56 -0.07 0.00 -3.43 6.46 -1.59 -3.33 115.31 114.90 2wcv h LEU 95 Ca 0.40 0.08 -0.24 0.00 -0.12 0.00 0.00 57.88 58.00 2wcv h LEU 95 Cb 2.35 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 42.36 2wcv h LEU 95 CO 0.79 -0.00 -1.90 0.00 -0.62 0.00 0.00 178.44 176.72 2wcv n GLN 96 N -5.14 1.09 -3.81 1.25 6.02 -1.26 -5.03 117.38 110.49 2wcv n GLN 96 Ca 0.02 0.05 -0.12 0.00 -0.01 0.00 0.00 57.00 56.94 2wcv n GLN 96 Cb 0.19 -1.32 -0.11 0.00 1.02 0.00 0.00 30.24 30.02 2wcv n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wcv s ALA 97 N -2.31 -0.51 0.35 -1.58 0.00 -1.25 -5.13 121.76 111.32 2wcv s ALA 97 Ca -0.15 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 2wcv s ALA 97 Cb 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 23.12 22.85 2wcv s ALA 97 CO 0.44 -0.15 0.83 -0.35 0.00 0.00 0.00 175.76 176.53 2wcv n PRO 98 N 2.38 1.00 -3.43 0.00 -0.04 -1.26 -4.19 135.00 129.45 2wcv n PRO 98 Ca -0.16 0.35 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 2wcv n PRO 98 Cb 0.57 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2wcv n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wcv n PRO 100 N -0.77 -2.01 -2.29 0.00 -0.02 -1.26 -4.96 135.00 123.69 2wcv n PRO 100 Ca -0.02 -0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 60.56 2wcv n PRO 100 Cb 0.54 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2wcv n PRO 100 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wcv s ASP 101 N -2.26 5.80 -0.12 2.55 1.11 -1.26 -5.00 116.67 117.49 2wcv s ASP 101 Ca 0.65 2.13 -0.06 0.00 0.18 0.00 0.00 52.55 55.45 2wcv s ASP 101 Cb -0.22 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.16 2wcv s ASP 101 CO 0.65 -1.16 0.10 -0.63 1.18 0.00 0.00 175.17 175.31 2wcv s ILE 102 N -1.83 5.17 0.19 0.77 1.01 -1.26 -4.61 121.20 120.64 2wcv s ILE 102 Ca 0.72 0.08 0.06 0.00 0.00 0.00 0.00 60.65 61.51 2wcv s ILE 102 Cb -0.23 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2wcv s ILE 102 CO 0.26 0.59 0.13 -0.63 0.00 0.00 0.00 174.94 175.30 2wcv s ILE 103 N -0.81 4.35 -0.07 2.92 1.01 -0.80 -4.97 121.20 122.82 2wcv s ILE 103 Ca 0.13 -1.23 0.06 0.00 0.00 0.00 0.00 60.65 59.61 2wcv s ILE 103 Cb -0.12 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2wcv s ILE 103 CO 0.03 -0.18 -0.24 -0.13 0.00 0.00 0.00 174.94 174.42 2wcv s ARG 104 N -3.29 2.65 0.15 2.79 1.81 -1.26 -0.24 118.95 121.57 2wcv s ARG 104 Ca 0.31 -0.89 0.07 0.00 -1.72 0.00 0.00 55.73 53.50 2wcv s ARG 104 Cb -0.09 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.16 2wcv s ARG 104 CO 0.23 0.35 -0.14 0.96 -0.68 0.00 0.00 175.30 176.02 2wcv s ILE 105 N -0.08 1.49 0.45 1.52 -4.36 -0.62 -4.81 121.20 114.79 2wcv s ILE 105 Ca -0.06 -1.90 -0.23 0.00 -0.26 0.00 0.00 60.65 58.20 2wcv s ILE 105 Cb -0.14 -1.73 -0.10 0.00 1.25 0.00 0.00 42.46 41.73 2wcv s ILE 105 CO 0.05 -0.47 0.95 -3.20 0.24 0.00 0.00 174.94 172.50 2wcv n ASN 106 N 0.21 0.97 -0.31 4.36 5.15 -1.26 -1.00 115.26 123.37 2wcv n ASN 106 Ca -0.13 0.99 0.11 0.00 -0.60 0.00 0.00 54.58 54.95 2wcv n ASN 106 Cb 0.58 -1.33 0.34 0.00 -0.53 0.00 0.00 39.78 38.83 2wcv n ASN 106 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2wcv h ARG 107 N 1.31 0.75 -0.40 1.20 2.43 -1.93 -0.29 114.38 117.45 2wcv h ARG 107 Ca -0.45 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 2wcv h ARG 107 Cb 1.35 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2wcv h ARG 107 CO 0.55 0.50 -0.05 0.35 -1.51 0.00 0.00 179.97 179.82 2wcv h PHE 108 N 0.78 0.82 0.00 2.20 3.04 -1.97 -2.05 116.94 119.76 2wcv h PHE 108 Ca 0.49 -0.16 -0.05 0.00 3.98 0.00 0.00 57.97 62.24 2wcv h PHE 108 Cb 0.73 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 2wcv h PHE 108 CO -0.00 0.84 -0.22 0.00 -2.02 0.00 0.00 178.31 176.91 2wcv h ALA 109 N 0.86 1.03 -0.12 2.41 0.00 -1.71 -0.99 119.26 120.74 2wcv h ALA 109 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2wcv h ALA 109 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wcv h ALA 109 CO 0.03 0.27 -0.28 0.35 0.00 0.00 0.00 179.25 179.62 2wcv h PHE 110 N 0.00 0.51 -0.53 0.00 3.57 -0.78 -1.94 116.94 117.78 2wcv h PHE 110 Ca -0.00 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 2wcv h PHE 110 Cb 0.73 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2wcv h PHE 110 CO 0.00 0.90 0.19 1.88 -2.23 0.00 0.00 178.31 179.04 2wcv h TYR 111 N -0.02 0.82 -0.19 0.41 0.99 -1.16 0.45 116.97 118.27 2wcv h TYR 111 Ca -0.00 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2wcv h TYR 111 Cb 0.88 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 38.36 2wcv h TYR 111 CO 0.11 0.69 0.09 0.93 -0.00 0.00 0.00 178.16 179.99 2wcv h GLU 112 N 0.72 0.26 0.11 4.88 4.39 -1.18 0.04 114.58 123.79 2wcv h GLU 112 Ca 0.17 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.58 2wcv h GLU 112 Cb 0.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2wcv h GLU 112 CO -0.01 0.20 -1.26 -0.09 -1.16 0.00 0.00 179.01 176.70 2wcv h ARG 113 N 0.27 0.23 0.00 2.33 2.43 -0.56 -3.20 114.38 115.87 2wcv h ARG 113 Ca 0.07 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 2wcv h ARG 113 Cb 0.03 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2wcv h ARG 113 CO -0.01 1.16 -0.29 0.00 -1.51 0.00 0.00 179.97 179.33 2wcv h ALA 114 N 0.64 1.47 0.00 2.80 0.00 0.99 -1.54 119.26 123.61 2wcv h ALA 114 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wcv h ALA 114 Cb 1.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2wcv h ALA 114 CO 0.19 0.36 0.00 1.96 0.00 0.00 0.00 179.25 181.75 2wcv h GLN 115 N 0.00 0.00 -0.01 0.00 4.20 -1.03 -2.65 115.11 115.62 2wcv h GLN 115 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wcv h GLN 115 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2wcv h GLN 115 CO 0.04 0.00 -0.12 1.63 -0.67 0.00 0.00 178.83 179.71 2wcv n LYS 116 N -2.63 1.32 -1.37 1.46 5.02 -0.61 -4.54 118.16 116.81 2wcv n LYS 116 Ca 0.00 -1.01 -0.33 0.00 -2.02 0.00 0.00 58.31 54.95 2wcv n LYS 116 Cb 0.19 -1.21 0.09 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.31 2.13 0.17 7.82 0.00 -1.00 -4.87 121.76 124.70 2wcv s ALA 117 Ca 0.13 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 2wcv s ALA 117 Cb 0.10 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.88 2wcv s ALA 117 CO 0.23 -1.85 1.52 0.35 0.00 0.00 0.00 175.76 176.02 2wcv h PHE 118 N -0.62 1.00 -3.03 0.00 3.04 -0.19 -3.42 116.94 113.73 2wcv h PHE 118 Ca -0.46 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.21 2wcv h PHE 118 Cb 1.27 -0.22 -0.10 0.00 2.56 0.00 0.00 35.95 39.46 2wcv h PHE 118 CO 0.51 1.07 0.20 0.00 -2.02 0.00 0.00 178.31 178.08 2wcv s ALA 119 N -4.40 -1.45 -0.08 2.41 0.00 -1.23 -4.22 121.76 112.78 2wcv s ALA 119 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2wcv s ALA 119 Cb 0.12 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.13 2wcv s ALA 119 CO 0.86 -0.84 -0.05 0.42 0.00 0.00 0.00 175.76 176.15 2wcv s ILE 120 N -3.80 0.75 -0.37 0.00 1.01 -0.44 -1.73 121.20 116.62 2wcv s ILE 120 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2wcv s ILE 120 Cb -0.02 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.72 2wcv s ILE 120 CO -0.07 0.30 0.16 -0.69 0.00 0.00 0.00 174.94 174.64 2wcv s VAL 121 N 1.42 3.86 -0.26 2.92 1.01 0.15 -0.82 120.40 128.68 2wcv s VAL 121 Ca -0.02 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.43 2wcv s VAL 121 Cb -0.13 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2wcv s VAL 121 CO -0.04 -0.34 0.66 -0.51 0.00 0.00 0.00 175.10 174.87 2wcv s ILE 122 N 1.38 4.96 0.28 2.22 2.07 -0.53 -1.29 121.20 130.29 2wcv s ILE 122 Ca 0.01 1.17 0.04 0.00 -1.41 0.00 0.00 60.65 60.46 2wcv s ILE 122 Cb -0.21 -3.97 0.04 0.00 0.13 0.00 0.00 42.46 38.46 2wcv s ILE 122 CO 0.02 -0.00 0.36 0.35 -1.91 0.00 0.00 174.94 173.75 2wcv n THR 123 N 5.22 0.00 1.04 4.00 -2.24 -0.67 0.03 114.28 121.66 2wcv n THR 123 Ca 0.00 -0.96 0.10 0.00 -2.27 0.00 0.00 64.05 60.92 2wcv n THR 123 Cb 0.49 -0.68 0.32 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.60 0.54 3.68 3.38 0.00 0.24 -2.67 105.19 111.96 2wcv n GLY 124 Ca 0.06 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.18 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 0.51 2.42 0.00 1.61 -0.58 -1.20 -4.70 120.64 118.70 2wcv n GLU 125 Ca 0.16 0.88 0.10 0.00 -0.42 0.00 0.00 57.16 57.88 2wcv n GLU 125 Cb 0.36 -2.73 -0.09 0.00 -0.57 0.00 0.00 31.44 28.41 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 5.41 0.03 -2.39 3.49 5.12 -1.26 -0.14 116.66 126.91 2wcv n ARG 126 Ca 0.19 -0.01 -0.35 0.00 -1.93 0.00 0.00 57.85 55.76 2wcv n ARG 126 Cb 0.33 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 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 -3.02 2.80 0.58 7.54 0.00 -1.26 -4.94 121.76 123.46 2wcv s ALA 127 Ca 0.08 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 2wcv s ALA 127 Cb 0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2wcv s ALA 127 CO 0.86 -0.55 1.06 0.15 0.00 0.00 0.00 175.76 177.28 2wcv s LYS 128 N -3.19 3.35 -1.41 0.00 1.02 -1.26 -3.66 119.74 114.58 2wcv s LYS 128 Ca 0.69 1.26 -0.08 0.00 0.02 0.00 0.00 55.97 57.87 2wcv s LYS 128 Cb -0.21 -2.03 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2wcv s LYS 128 CO 0.25 -0.80 0.92 0.66 -0.92 0.00 0.00 175.35 175.46 2wcv n TYR 129 N -1.87 -2.25 -0.60 3.18 4.02 -1.26 -4.80 117.16 113.57 2wcv n TYR 129 Ca 0.09 0.90 0.10 0.00 -0.01 0.00 0.00 57.90 58.98 2wcv n TYR 129 Cb 0.53 -4.34 0.36 0.00 -0.02 0.00 0.00 39.34 35.87 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 -1.67 2.73 3.77 2.72 0.00 -1.24 -4.83 105.19 106.67 2wcv n GLY 130 Ca -0.10 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.92 7.23 -0.05 1.61 0.01 -1.26 -3.94 114.94 117.61 2wcv s ASN 131 Ca 0.51 1.46 -0.03 0.00 -0.71 0.00 0.00 52.86 54.10 2wcv s ASN 131 Cb 0.32 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.56 2wcv s ASN 131 CO 0.26 0.16 0.12 -0.51 -1.51 0.00 0.00 177.10 175.62 2wcv s ILE 132 N -0.77 -0.03 -0.13 0.60 2.07 -0.42 -3.97 121.20 118.56 2wcv s ILE 132 Ca 0.34 0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.64 2wcv s ILE 132 Cb -0.21 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 2wcv s ILE 132 CO 0.23 0.04 0.06 -0.22 -1.91 0.00 0.00 174.94 173.14 2wcv s LEU 133 N 0.68 3.87 -0.06 8.50 0.20 0.15 -1.28 118.68 130.75 2wcv s LEU 133 Ca -0.05 0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.02 2wcv s LEU 133 Cb -0.07 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 2wcv s LEU 133 CO -0.03 0.31 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.38 2wcv s LEU 134 N -0.47 2.38 -0.18 -0.68 1.02 0.20 -1.51 118.68 119.44 2wcv s LEU 134 Ca 0.10 -0.37 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 2wcv s LEU 134 Cb -0.12 -1.46 -0.00 0.00 0.02 0.00 0.00 46.19 44.63 2wcv s LEU 134 CO 0.02 0.29 -0.10 -0.75 0.02 0.00 0.00 176.35 175.82 2wcv s LYS 135 N -0.40 3.30 0.46 1.70 2.20 -0.36 -0.82 119.74 125.82 2wcv s LYS 135 Ca 0.04 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 54.75 2wcv s LYS 135 Cb -0.12 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.32 2wcv s LYS 135 CO 0.02 -0.06 1.03 0.21 -0.36 0.00 0.00 175.35 176.19 2wcv s LYS 136 N 1.05 3.95 0.00 4.03 2.20 -0.39 -0.88 119.74 129.70 2wcv s LYS 136 Ca -0.00 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 2wcv s LYS 136 Cb -0.15 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 2wcv s LYS 136 CO -0.02 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2wcv n GLY 137 N -0.17 3.10 3.31 5.54 0.00 0.20 -0.77 105.19 116.40 2wcv n GLY 137 Ca 0.08 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 3.24 4.11 -0.46 1.61 1.01 -1.26 -3.95 120.40 124.70 2wcv s VAL 138 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 2wcv s VAL 138 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 2wcv s VAL 138 CO 0.00 -0.21 2.35 0.41 0.00 0.00 0.00 175.10 177.65 2wcv n THR 139 N 4.89 0.09 1.45 3.92 -1.04 -1.26 -5.00 114.28 117.34 2wcv n THR 139 Ca -0.12 -0.46 0.12 0.00 -2.04 0.00 0.00 64.05 61.54 2wcv n THR 139 Cb 0.45 -2.10 0.69 0.00 -1.82 0.00 0.00 70.33 67.55 2wcv n THR 139 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62