#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 1.66 0.44 3.17 1.43 -1.26 -5.13 118.68 118.99 2wcv s LEU 2 Ca 0.00 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 2wcv s LEU 2 Cb 0.00 0.66 -0.08 0.00 0.03 0.00 0.00 46.19 46.80 2wcv s LEU 2 CO 0.00 -0.45 1.13 -0.54 0.23 0.00 0.00 176.35 176.72 2wcv s LYS 3 N -2.05 3.88 0.00 1.70 1.02 -1.26 -3.18 119.74 119.85 2wcv s LYS 3 Ca -0.10 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.58 2wcv s LYS 3 Cb -0.04 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2wcv s LYS 3 CO -0.02 -0.43 0.00 2.41 -0.92 0.00 0.00 175.35 176.39 2wcv n THR 4 N -0.39 0.00 -4.62 2.17 -1.04 -1.26 -4.99 114.28 104.16 2wcv n THR 4 Ca 0.07 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.74 2wcv n THR 4 Cb 0.49 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.87 2wcv n THR 4 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wcv s ILE 5 N -1.40 3.58 -0.04 12.58 1.01 -1.19 -5.07 121.20 130.68 2wcv s ILE 5 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 60.65 59.81 2wcv s ILE 5 Cb 0.00 -2.50 -0.12 0.00 0.01 0.00 0.00 42.46 39.85 2wcv s ILE 5 CO 0.00 0.56 1.81 -0.24 0.00 0.00 0.00 174.94 177.06 2wcv n SER 6 N 2.83 3.34 0.00 3.58 2.88 -1.26 -4.59 113.62 120.41 2wcv n SER 6 Ca -0.18 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2wcv n SER 6 Cb 0.53 -1.38 0.02 0.00 -0.75 0.00 0.00 64.21 62.63 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 5.89 0.01 0.21 -1.46 -0.04 -1.26 -1.31 135.00 137.02 2wcv n PRO 7 Ca 0.21 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 2wcv n PRO 7 Cb 0.29 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.61 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 -8.83 1.53 4.07 -1.98 -3.42 115.31 106.68 2wcv h LEU 8 Ca 0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 2wcv h LEU 8 Cb 0.01 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.67 2wcv h LEU 8 CO 0.00 0.26 0.74 -0.63 -1.08 0.00 0.00 178.44 177.73 2wcv s ILE 9 N -3.49 4.47 0.65 1.22 1.01 -0.43 -5.02 121.20 119.61 2wcv s ILE 9 Ca 0.02 1.32 -0.15 0.00 0.00 0.00 0.00 60.65 61.84 2wcv s ILE 9 Cb 0.09 -4.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2wcv s ILE 9 CO 0.66 -0.65 1.11 -0.94 0.00 0.00 0.00 174.94 175.12 2wcv s SER 10 N 1.97 5.14 0.27 3.58 1.04 -1.26 -4.75 113.70 119.68 2wcv s SER 10 Ca 0.42 2.02 -0.00 0.00 0.48 0.00 0.00 55.95 58.87 2wcv s SER 10 Cb -0.11 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 64.05 2wcv s SER 10 CO 0.21 -1.61 1.72 -0.65 0.98 0.00 0.00 173.24 173.89 2wcv h PRO 11 N 0.11 0.43 -0.55 4.02 0.11 -1.96 0.11 132.00 134.27 2wcv h PRO 11 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2wcv h PRO 11 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2wcv h PRO 11 CO 0.54 0.28 0.18 1.49 -0.21 0.00 0.00 178.00 180.29 2wcv h GLU 12 N 0.44 0.85 -0.58 1.05 4.57 -2.00 -1.85 114.58 117.06 2wcv h GLU 12 Ca 0.49 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.43 2wcv h GLU 12 Cb 0.83 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2wcv h GLU 12 CO -0.46 0.77 0.12 1.25 -1.18 0.00 0.00 179.01 179.50 2wcv h LEU 13 N 0.76 0.90 -0.99 1.64 5.85 -1.55 -1.37 115.31 120.55 2wcv h LEU 13 Ca 0.18 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2wcv h LEU 13 Cb 0.27 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2wcv h LEU 13 CO -0.01 0.92 0.64 0.25 -0.34 0.00 0.00 178.44 179.90 2wcv h LEU 14 N 0.85 1.04 0.30 2.25 5.85 -0.82 -0.03 115.31 124.76 2wcv h LEU 14 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2wcv h LEU 14 Cb 0.39 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2wcv h LEU 14 CO 0.01 0.68 -0.15 0.50 -0.34 0.00 0.00 178.44 179.14 2wcv h LYS 15 N 1.19 -0.39 -0.53 1.25 3.64 -0.99 -2.05 116.57 118.69 2wcv h LYS 15 Ca 0.42 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.92 2wcv h LYS 15 Cb 0.12 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 2wcv h LYS 15 CO -0.16 -0.10 0.10 0.28 -2.27 0.00 0.00 179.45 177.30 2wcv h VAL 16 N -0.69 0.69 -1.00 2.00 2.07 -0.85 0.30 116.25 118.77 2wcv h VAL 16 Ca -0.04 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2wcv h VAL 16 Cb 0.48 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 2wcv h VAL 16 CO 0.07 0.04 0.65 -0.07 0.02 0.00 0.00 177.57 178.28 2wcv h LEU 17 N 0.24 1.06 -0.60 2.57 3.38 -0.97 -1.44 115.31 119.54 2wcv h LEU 17 Ca 0.27 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2wcv h LEU 17 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2wcv h LEU 17 CO -0.36 0.69 -0.16 0.00 0.09 0.00 0.00 178.44 178.70 2wcv h ALA 18 N 1.44 0.80 0.00 1.53 0.00 -0.42 -3.07 119.26 119.53 2wcv h ALA 18 Ca 0.42 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wcv h ALA 18 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wcv h ALA 18 CO -0.16 0.66 -0.22 0.93 0.00 0.00 0.00 179.25 180.46 2wcv h GLU 19 N 0.82 0.00 -6.89 0.00 5.08 -0.32 -3.45 114.58 109.82 2wcv h GLU 19 Ca 0.12 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.95 2wcv h GLU 19 Cb 0.71 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.04 2wcv h GLU 19 CO 0.05 0.22 0.70 -1.64 -1.00 0.00 0.00 179.01 177.34 2wcv s MET 20 N -3.53 4.26 0.19 2.33 -1.94 -0.61 -5.02 119.30 114.98 2wcv s MET 20 Ca 0.02 2.35 0.01 0.00 -1.71 0.00 0.00 55.69 56.35 2wcv s MET 20 Cb 0.09 -3.04 0.01 0.00 2.01 0.00 0.00 34.83 33.90 2wcv s MET 20 CO 0.64 -0.33 0.04 0.41 -0.01 0.00 0.00 175.02 175.78 2wcv n GLY 21 N 0.79 3.67 3.68 -0.03 0.00 -1.26 -5.01 105.19 107.03 2wcv n GLY 21 Ca 0.01 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.48 2.00 0.00 1.61 2.46 -1.26 -1.87 115.29 116.75 2wcv s HIS 22 Ca 0.03 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.49 2wcv s HIS 22 Cb -0.00 -4.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 2wcv s HIS 22 CO 0.02 -4.89 0.00 0.41 -2.47 0.00 0.00 174.74 167.81 2wcv n GLY 23 N 4.27 2.78 3.73 1.59 0.00 -0.60 -5.02 105.19 111.93 2wcv n GLY 23 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2wcv n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wcv n ASP 24 N 0.00 2.54 -4.19 1.61 8.00 -0.78 -4.73 116.55 119.00 2wcv n ASP 24 Ca 0.00 0.99 -0.28 0.00 0.71 0.00 0.00 54.79 56.22 2wcv n ASP 24 Cb 0.00 -1.55 -0.16 0.00 -0.02 0.00 0.00 41.12 39.39 2wcv n ASP 24 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wcv s GLU 25 N -2.73 1.92 0.02 -1.24 2.02 -1.26 -1.83 118.70 115.60 2wcv s GLU 25 Ca 0.70 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 55.04 2wcv s GLU 25 Cb -0.43 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 2wcv s GLU 25 CO 0.51 0.33 -0.18 -1.50 0.02 0.00 0.00 175.26 174.43 2wcv s ILE 26 N -0.14 1.47 -0.16 -1.63 2.07 -0.63 -0.45 121.20 121.73 2wcv s ILE 26 Ca -0.01 -0.98 -0.01 0.00 -1.41 0.00 0.00 60.65 58.25 2wcv s ILE 26 Cb -0.11 -1.26 -0.01 0.00 0.13 0.00 0.00 42.46 41.21 2wcv s ILE 26 CO 0.02 0.25 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.54 2wcv s ILE 27 N -0.65 2.91 -0.45 2.00 1.01 -0.69 -1.01 121.20 124.33 2wcv s ILE 27 Ca 0.06 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 2wcv s ILE 27 Cb -0.08 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.22 2wcv s ILE 27 CO 0.01 0.50 0.33 -0.36 0.00 0.00 0.00 174.94 175.42 2wcv s PHE 28 N 0.78 3.29 0.36 3.97 0.40 -0.25 0.51 117.98 127.04 2wcv s PHE 28 Ca -0.05 -1.20 0.04 0.00 -0.60 0.00 0.00 56.93 55.12 2wcv s PHE 28 Cb -0.15 -3.06 -0.01 0.00 0.51 0.00 0.00 43.02 40.31 2wcv s PHE 28 CO 0.01 -0.82 0.53 -1.54 0.70 0.00 0.00 175.22 174.10 2wcv s SER 29 N 2.36 5.98 0.84 1.36 1.04 -0.45 -1.76 113.70 123.07 2wcv s SER 29 Ca 0.04 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 2wcv s SER 29 Cb -0.24 -1.44 0.11 0.00 0.10 0.00 0.00 66.02 64.56 2wcv s SER 29 CO 0.05 -0.48 1.21 1.51 0.98 0.00 0.00 173.24 176.50 2wcv s ASP 30 N -4.16 4.15 0.23 7.02 1.47 -1.26 -1.60 116.67 122.52 2wcv s ASP 30 Ca 0.45 0.61 0.17 0.00 1.18 0.00 0.00 52.55 54.96 2wcv s ASP 30 Cb -0.10 -0.99 0.88 0.00 -0.34 0.00 0.00 42.92 42.37 2wcv s ASP 30 CO 0.33 -2.11 1.53 0.00 0.68 0.00 0.00 175.17 175.60 2wcv n ALA 31 N -3.41 1.17 0.99 2.11 0.00 0.16 -2.63 120.51 118.91 2wcv n ALA 31 Ca 0.10 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.79 2wcv n ALA 31 Cb 0.61 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.06 0.00 -2.35 0.00 8.25 -1.26 -4.98 115.22 112.81 2wcv n HIS 32 Ca -0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2wcv n HIS 32 Cb 0.07 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.07 3.20 -1.42 4.41 5.36 -1.08 -4.94 117.98 121.45 2wcv s PHE 33 Ca 0.26 1.58 -0.07 0.00 -0.96 0.00 0.00 56.93 57.75 2wcv s PHE 33 Cb 0.20 -3.36 0.04 0.00 -0.34 0.00 0.00 43.02 39.56 2wcv s PHE 33 CO 0.34 -1.11 2.61 -0.35 -1.46 0.00 0.00 175.22 175.25 2wcv n PRO 34 N 0.36 4.24 -0.31 10.12 -0.04 -1.26 -4.76 135.00 143.35 2wcv n PRO 34 Ca 0.03 -2.98 0.04 0.00 -0.04 0.00 0.00 63.50 60.55 2wcv n PRO 34 Cb 0.46 -2.68 0.18 0.00 -0.04 0.00 0.00 33.50 31.42 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 4.72 1.26 0.00 0.55 0.00 -1.95 -2.87 119.26 120.97 2wcv h ALA 35 Ca 0.76 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.70 2wcv h ALA 35 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wcv h ALA 35 CO 1.58 0.14 0.00 0.72 0.00 0.00 0.00 179.25 181.69 2wcv n HIS 36 N -4.70 0.51 0.71 0.00 8.25 -1.26 -3.06 115.22 115.67 2wcv n HIS 36 Ca 0.15 0.18 0.08 0.00 -0.26 0.00 0.00 57.72 57.87 2wcv n HIS 36 Cb 0.29 -0.80 -0.01 0.00 1.12 0.00 0.00 29.99 30.60 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 -1.95 1.56 -0.12 0.41 3.41 -1.09 -4.53 113.62 111.32 2wcv n SER 37 Ca 0.04 -1.28 -0.12 0.00 -0.26 0.00 0.00 58.87 57.24 2wcv n SER 37 Cb 0.26 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 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 1.66 0.79 0.00 4.33 2.86 -1.53 -3.49 114.93 119.56 2wcv h MET 38 Ca 0.00 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2wcv h MET 38 Cb 0.53 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2wcv h MET 38 CO 0.00 1.00 0.00 0.41 1.06 0.00 0.00 176.91 179.38 2wcv n GLY 39 N 0.03 3.51 3.61 8.32 0.00 -1.26 -4.42 105.19 114.98 2wcv n GLY 39 Ca -0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.04 0.58 1.61 0.04 -1.26 -4.96 135.00 130.96 2wcv s PRO 40 Ca 0.00 0.65 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 2wcv s PRO 40 Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2wcv s PRO 40 CO 0.00 -3.09 1.26 1.14 0.04 0.00 0.00 177.00 176.35 2wcv s GLN 41 N -4.78 3.02 -0.03 4.56 -2.07 -1.26 -4.78 119.66 114.33 2wcv s GLN 41 Ca 0.66 1.98 0.07 0.00 -1.82 0.00 0.00 55.36 56.25 2wcv s GLN 41 Cb -0.21 -2.05 -0.02 0.00 -1.09 0.00 0.00 33.01 29.64 2wcv s GLN 41 CO 0.60 -1.21 -0.25 0.08 -1.32 0.00 0.00 175.29 173.20 2wcv s VAL 42 N -1.47 1.99 -0.18 3.63 1.01 -1.26 -1.55 120.40 122.58 2wcv s VAL 42 Ca 0.75 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2wcv s VAL 42 Cb -0.34 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2wcv s VAL 42 CO 0.38 0.56 -0.17 -0.63 0.00 0.00 0.00 175.10 175.24 2wcv s ILE 43 N -0.49 1.91 0.45 2.22 1.01 -0.45 -4.98 121.20 120.87 2wcv s ILE 43 Ca 0.07 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 2wcv s ILE 43 Cb -0.11 -1.76 -0.08 0.00 0.01 0.00 0.00 42.46 40.52 2wcv s ILE 43 CO 0.00 0.47 1.06 -0.13 0.00 0.00 0.00 174.94 176.34 2wcv s ARG 44 N 1.34 3.91 -0.34 2.79 1.81 -1.26 -2.34 118.95 124.87 2wcv s ARG 44 Ca 0.04 1.46 0.15 0.00 -1.72 0.00 0.00 55.73 55.66 2wcv s ARG 44 Cb -0.13 -2.28 0.44 0.00 -0.45 0.00 0.00 34.95 32.53 2wcv s ARG 44 CO -0.12 -0.35 1.16 0.00 -0.68 0.00 0.00 175.30 175.32 2wcv n ALA 45 N -0.62 2.55 -1.76 2.13 0.00 0.39 -4.88 120.51 118.32 2wcv n ALA 45 Ca 0.08 -2.27 -0.40 0.00 0.00 0.00 0.00 53.44 50.84 2wcv n ALA 45 Cb 0.51 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.46 3.38 0.00 0.00 8.00 -1.25 -2.48 116.55 123.75 2wcv n ASP 46 Ca 0.02 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2wcv n ASP 46 Cb 0.83 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 0.56 2.50 3.74 0.44 0.00 -1.26 -4.80 105.19 106.37 2wcv n GLY 47 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 3.85 0.42 0.99 1.43 -1.03 -4.81 118.68 119.53 2wcv s LEU 48 Ca 0.00 0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 2wcv s LEU 48 Cb 0.00 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 2wcv s LEU 48 CO 0.00 0.37 1.00 -0.76 0.23 0.00 0.00 176.35 177.20 2wcv s LEU 49 N -0.83 4.02 0.32 1.79 1.02 -1.26 0.09 118.68 123.83 2wcv s LEU 49 Ca 0.13 1.88 0.01 0.00 0.02 0.00 0.00 54.13 56.17 2wcv s LEU 49 Cb -0.12 -4.38 0.56 0.00 0.02 0.00 0.00 46.19 42.28 2wcv s LEU 49 CO 0.03 -0.49 1.95 0.58 0.02 0.00 0.00 176.35 178.44 2wcv h VAL 50 N 1.98 1.10 -0.46 -1.59 2.07 -1.93 -2.20 116.25 115.21 2wcv h VAL 50 Ca -0.49 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2wcv h VAL 50 Cb 1.20 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2wcv h VAL 50 CO 0.61 0.18 0.24 0.28 0.02 0.00 0.00 177.57 178.91 2wcv h SER 51 N 0.98 0.37 -0.61 0.57 0.02 -1.93 0.18 113.55 113.13 2wcv h SER 51 Ca 0.34 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.34 2wcv h SER 51 Cb 0.10 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2wcv h SER 51 CO -0.11 0.26 0.36 0.44 -1.14 0.00 0.00 176.83 176.64 2wcv h ASP 52 N 0.49 0.58 -0.39 3.07 3.32 -1.79 -0.93 116.42 120.76 2wcv h ASP 52 Ca 0.20 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 2wcv h ASP 52 Cb 0.08 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wcv h ASP 52 CO -0.13 0.40 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.64 2wcv h LEU 53 N 0.71 0.75 -0.59 1.55 -0.00 -1.14 -1.95 115.31 114.63 2wcv h LEU 53 Ca 0.25 -0.36 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2wcv h LEU 53 Cb 0.05 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.46 2wcv h LEU 53 CO -0.12 0.93 0.33 -0.07 -0.00 0.00 0.00 178.44 179.52 2wcv h LEU 54 N 0.55 0.52 -0.65 1.67 4.07 -0.30 -1.45 115.31 119.73 2wcv h LEU 54 Ca 0.10 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 2wcv h LEU 54 Cb 0.59 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2wcv h LEU 54 CO 0.04 0.35 0.01 -0.61 -1.08 0.00 0.00 178.44 177.14 2wcv h GLN 55 N 0.64 1.06 -0.40 1.13 4.15 -1.10 -2.12 115.11 118.49 2wcv h GLN 55 Ca 0.25 -0.33 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 2wcv h GLN 55 Cb 0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2wcv h GLN 55 CO -0.14 1.03 -0.24 0.00 -1.93 0.00 0.00 178.83 177.55 2wcv h ALA 56 N 1.02 0.83 0.00 3.38 0.00 -0.89 -3.32 119.26 120.27 2wcv h ALA 56 Ca 0.17 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2wcv h ALA 56 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2wcv h ALA 56 CO 0.03 0.64 -1.20 -0.84 0.00 0.00 0.00 179.25 177.88 2wcv h ILE 57 N 0.70 0.30 -0.83 0.00 3.07 -1.25 -3.40 117.51 116.10 2wcv h ILE 57 Ca 0.09 -1.58 0.16 0.00 1.55 0.00 0.00 64.86 65.09 2wcv h ILE 57 Cb 0.77 1.83 -0.06 0.00 -0.27 0.00 0.00 36.82 39.08 2wcv h ILE 57 CO 0.06 0.17 0.55 -0.29 -1.05 0.00 0.00 178.15 177.59 2wcv h ILE 58 N 0.00 0.77 0.00 0.16 6.09 -1.48 0.18 117.51 123.23 2wcv h ILE 58 Ca -0.09 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2wcv h ILE 58 Cb 1.33 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.87 2wcv h ILE 58 CO 0.03 0.09 0.00 -0.81 -3.07 0.00 0.00 178.15 174.38 2wcv n PRO 59 N -4.51 0.35 -0.06 2.19 -0.04 -1.26 -3.04 135.00 128.62 2wcv n PRO 59 Ca 0.17 0.06 -0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2wcv n PRO 59 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.28 0.00 -4.44 1.53 4.32 0.37 -4.95 117.00 112.55 2wcv n LEU 60 Ca 0.11 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.67 2wcv n LEU 60 Cb 0.19 0.32 -0.09 0.00 -1.62 0.00 0.00 43.42 42.23 2wcv n LEU 60 CO 0.18 0.32 0.03 0.12 -1.22 0.00 0.00 177.39 176.82 2wcv s PHE 61 N -2.33 3.22 -0.08 -1.77 5.36 0.26 -5.06 117.98 117.58 2wcv s PHE 61 Ca -0.07 -0.67 -0.30 0.00 -0.96 0.00 0.00 56.93 54.94 2wcv s PHE 61 Cb 0.04 -2.91 -0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2wcv s PHE 61 CO 0.54 -0.71 1.04 -2.00 -1.46 0.00 0.00 175.22 172.63 2wcv s GLU 62 N 1.81 4.43 0.49 10.12 2.56 -1.26 -4.77 118.70 132.09 2wcv s GLU 62 Ca 0.07 1.45 -0.20 0.00 0.00 0.00 0.00 54.97 56.29 2wcv s GLU 62 Cb -0.21 -3.53 -0.08 0.00 2.00 0.00 0.00 34.13 32.32 2wcv s GLU 62 CO 0.10 -0.30 1.04 -0.51 -0.56 0.00 0.00 175.26 175.03 2wcv s LEU 63 N 1.87 3.81 0.27 2.70 1.43 -1.26 0.38 118.68 127.89 2wcv s LEU 63 Ca 0.50 1.91 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2wcv s LEU 63 Cb -0.20 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.37 2wcv s LEU 63 CO 0.20 -0.80 1.25 -0.62 0.23 0.00 0.00 176.35 176.61 2wcv s ASP 64 N -2.08 6.95 0.00 2.29 -1.08 0.83 -3.62 116.67 119.97 2wcv s ASP 64 Ca 0.67 2.48 0.12 0.00 -0.52 0.00 0.00 52.55 55.29 2wcv s ASP 64 Cb -0.16 -2.63 0.02 0.00 -1.46 0.00 0.00 42.92 38.69 2wcv s ASP 64 CO 0.21 -0.42 0.75 -1.54 0.52 0.00 0.00 175.17 174.69 2wcv n SER 65 N 1.51 1.52 -0.03 -0.34 3.41 -1.26 -4.27 113.62 114.16 2wcv n SER 65 Ca 0.02 -1.26 0.12 0.00 -0.26 0.00 0.00 58.87 57.48 2wcv n SER 65 Cb 0.43 0.35 0.18 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.03 0.00 -3.56 7.33 4.02 -1.26 -4.97 117.16 118.74 2wcv n TYR 66 Ca 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.87 2wcv n TYR 66 Cb 0.27 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 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 -2.94 -1.72 -0.28 -0.72 0.00 -1.26 -5.10 121.76 109.74 2wcv s ALA 67 Ca 0.12 0.66 -0.34 0.00 0.00 0.00 0.00 51.96 52.40 2wcv s ALA 67 Cb 0.17 0.56 -0.10 0.00 0.00 0.00 0.00 23.12 23.75 2wcv s ALA 67 CO 0.72 -0.80 2.13 -0.35 0.00 0.00 0.00 175.76 177.45 2wcv n PRO 68 N -0.33 1.42 0.00 0.00 -0.04 -1.26 -4.73 135.00 130.06 2wcv n PRO 68 Ca -0.09 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 63.94 2wcv n PRO 68 Cb 0.62 -2.62 0.80 0.00 -0.04 0.00 0.00 33.50 32.26 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 7.92 0.88 -3.65 0.54 -0.04 -1.26 -4.69 135.00 134.70 2wcv n PRO 69 Ca 0.35 -0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 2wcv n PRO 69 Cb 0.28 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.22 1.19 -0.12 1.53 1.43 -1.26 -1.55 118.68 117.69 2wcv s LEU 70 Ca 0.39 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2wcv s LEU 70 Cb 0.21 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 2wcv s LEU 70 CO 0.41 -0.40 -0.07 -0.69 0.23 0.00 0.00 176.35 175.83 2wcv s VAL 71 N 1.90 3.60 0.30 -1.59 1.01 -0.64 -1.38 120.40 123.60 2wcv s VAL 71 Ca 0.07 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.64 2wcv s VAL 71 Cb -0.17 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 2wcv s VAL 71 CO -0.25 0.54 -0.08 -0.32 0.00 0.00 0.00 175.10 174.99 2wcv s MET 72 N -0.04 1.63 -0.13 2.72 1.75 -0.51 0.16 119.30 124.87 2wcv s MET 72 Ca -0.00 -1.82 -0.24 0.00 -1.25 0.00 0.00 55.69 52.37 2wcv s MET 72 Cb -0.13 -1.33 -0.02 0.00 2.84 0.00 0.00 34.83 36.18 2wcv s MET 72 CO 0.03 0.08 0.76 1.41 -0.65 0.00 0.00 175.02 176.65 2wcv s MET 73 N -3.69 4.34 0.02 4.11 1.75 -1.25 -2.00 119.30 122.59 2wcv s MET 73 Ca 0.30 0.92 -0.30 0.00 -1.25 0.00 0.00 55.69 55.36 2wcv s MET 73 Cb 0.03 -3.53 -0.06 0.00 2.84 0.00 0.00 34.83 34.12 2wcv s MET 73 CO 0.13 -0.17 1.31 0.00 -0.65 0.00 0.00 175.02 175.64 2wcv s ALA 74 N 1.61 3.52 -0.20 4.11 0.00 0.82 -4.80 121.76 126.82 2wcv s ALA 74 Ca 0.37 0.87 -0.37 0.00 0.00 0.00 0.00 51.96 52.83 2wcv s ALA 74 Cb -0.17 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 2wcv s ALA 74 CO 0.15 -0.72 1.88 0.00 0.00 0.00 0.00 175.76 177.07 2wcv n ALA 75 N 4.74 0.52 -1.08 0.00 0.00 -1.26 -4.36 120.51 119.07 2wcv n ALA 75 Ca 0.11 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2wcv n ALA 75 Cb 0.45 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 2wcv n ALA 75 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wcv n VAL 76 N 5.27 0.00 -0.96 0.00 0.24 -1.26 -4.52 118.33 117.09 2wcv n VAL 76 Ca 0.27 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.19 2wcv n VAL 76 Cb 0.22 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.30 2wcv n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2wcv n GLU 77 N 2.17 0.00 0.00 7.34 0.00 -1.26 -0.59 120.64 128.29 2wcv n GLU 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 2wcv n GLU 77 Cb -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 31.44 30.56 2wcv n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wcv n GLY 78 N 1.83 2.56 3.86 8.31 0.00 -1.26 -5.06 105.19 115.43 2wcv n GLY 78 Ca 0.16 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 0.58 6.73 -0.16 1.61 -1.08 0.24 -5.08 116.67 119.52 2wcv s ASP 79 Ca 0.00 1.22 -0.03 0.00 -0.52 0.00 0.00 52.55 53.22 2wcv s ASP 79 Cb 0.00 -2.35 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 2wcv s ASP 79 CO 0.00 -0.21 -0.06 -0.89 0.52 0.00 0.00 175.17 174.53 2wcv s THR 80 N -2.01 3.63 0.05 1.71 2.01 -1.26 -4.75 115.64 115.03 2wcv s THR 80 Ca 0.53 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 2wcv s THR 80 Cb -0.10 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2wcv s THR 80 CO 0.19 0.49 0.24 -1.48 -0.69 0.00 0.00 174.62 173.37 2wcv s LEU 81 N 0.49 4.35 -0.20 4.42 2.34 -1.26 -5.05 118.68 123.76 2wcv s LEU 81 Ca -0.05 0.36 -0.29 0.00 0.06 0.00 0.00 54.13 54.21 2wcv s LEU 81 Cb -0.15 -2.92 -0.02 0.00 -0.56 0.00 0.00 46.19 42.54 2wcv s LEU 81 CO 0.03 0.18 1.54 -1.81 -1.06 0.00 0.00 176.35 175.23 2wcv s ASP 82 N -2.31 6.52 0.00 1.48 1.01 -1.26 -4.88 116.67 117.24 2wcv s ASP 82 Ca 0.34 1.65 0.06 0.00 0.71 0.00 0.00 52.55 55.31 2wcv s ASP 82 Cb -0.13 -2.53 0.26 0.00 1.01 0.00 0.00 42.92 41.53 2wcv s ASP 82 CO 0.24 -1.13 1.18 -0.81 0.21 0.00 0.00 175.17 174.86 2wcv n PRO 83 N 7.42 0.01 0.26 8.23 -0.04 -1.26 -1.98 135.00 147.64 2wcv n PRO 83 Ca 0.17 0.38 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 2wcv n PRO 83 Cb 0.45 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.95 2wcv n PRO 83 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wcv h GLU 84 N 0.00 0.00 0.09 0.54 5.08 -1.99 -2.08 114.58 116.22 2wcv h GLU 84 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wcv h GLU 84 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wcv h GLU 84 CO 0.00 0.03 -0.04 0.28 -1.00 0.00 0.00 179.01 178.28 2wcv h VAL 85 N 0.00 0.00 -0.97 3.13 2.07 -1.81 -2.47 116.25 116.20 2wcv h VAL 85 Ca -0.00 -0.20 0.19 0.00 0.82 0.00 0.00 66.70 67.51 2wcv h VAL 85 Cb 0.66 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 2wcv h VAL 85 CO 0.00 0.00 0.57 -0.08 0.02 0.00 0.00 177.57 178.08 2wcv h GLU 86 N -0.32 0.69 0.45 1.57 4.81 -1.73 -1.19 114.58 118.85 2wcv h GLU 86 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2wcv h GLU 86 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2wcv h GLU 86 CO 0.02 0.45 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.29 2wcv h ARG 87 N 0.71 -0.79 -0.93 1.92 2.43 -1.47 0.21 114.38 116.46 2wcv h ARG 87 Ca 0.56 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.89 2wcv h ARG 87 Cb 0.88 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 2wcv h ARG 87 CO -0.39 -0.53 0.56 -0.09 -1.51 0.00 0.00 179.97 178.01 2wcv h ARG 88 N -0.82 0.88 0.67 0.20 2.43 -0.81 -2.04 114.38 114.90 2wcv h ARG 88 Ca -0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2wcv h ARG 88 Cb 0.71 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2wcv h ARG 88 CO -0.02 0.58 -0.32 1.88 -1.51 0.00 0.00 179.97 180.58 2wcv h TYR 89 N 0.91 -0.84 -1.16 2.20 -1.99 -0.86 -1.83 116.97 113.40 2wcv h TYR 89 Ca 0.45 -0.02 0.34 0.00 2.00 0.00 0.00 58.73 61.50 2wcv h TYR 89 Cb 0.43 0.28 -0.10 0.00 2.00 0.00 0.00 36.73 39.34 2wcv h TYR 89 CO -0.03 -0.52 0.75 0.00 -0.00 0.00 0.00 178.16 178.36 2wcv h ARG 90 N -1.05 0.24 -0.24 4.88 3.08 -0.82 0.16 114.38 120.64 2wcv h ARG 90 Ca -0.09 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2wcv h ARG 90 Cb 0.69 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2wcv h ARG 90 CO 0.15 0.16 -0.33 -0.97 -1.07 0.00 0.00 179.97 177.91 2wcv h ASN 91 N 0.25 0.70 -0.31 7.04 -0.73 -1.22 -2.85 115.58 118.46 2wcv h ASN 91 Ca 0.68 -0.51 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2wcv h ASN 91 Cb 1.97 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 40.35 2wcv h ASN 91 CO -0.32 1.07 0.09 0.00 -0.37 0.00 0.00 177.43 177.90 2wcv h ALA 92 N 0.65 1.44 0.00 1.57 0.00 0.14 -1.15 119.26 121.91 2wcv h ALA 92 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wcv h ALA 92 Cb 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wcv h ALA 92 CO 0.08 0.41 0.00 1.28 0.00 0.00 0.00 179.25 181.01 2wcv n LEU 93 N -4.33 0.00 -0.90 0.00 4.77 -0.43 -3.42 117.00 112.68 2wcv n LEU 93 Ca 0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 2wcv n LEU 93 Cb 0.19 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.50 2wcv n LEU 93 CO 0.38 0.00 0.67 -1.20 -1.33 0.00 0.00 177.39 175.91 2wcv n SER 94 N -0.87 2.99 0.23 -1.43 7.64 -0.44 -4.08 113.62 117.67 2wcv n SER 94 Ca 0.17 -3.40 0.18 0.00 1.01 0.00 0.00 58.87 56.83 2wcv n SER 94 Cb 0.08 -0.57 0.87 0.00 -1.01 0.00 0.00 64.21 63.58 2wcv n SER 94 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wcv h LEU 95 N 1.19 0.00 0.00 -3.43 3.38 -1.66 -3.36 115.31 111.42 2wcv h LEU 95 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wcv h LEU 95 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2wcv h LEU 95 CO 0.26 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2wcv n GLN 96 N -3.59 0.00 -4.19 1.13 6.02 -1.26 -5.09 117.38 110.40 2wcv n GLN 96 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.69 2wcv n GLN 96 Cb 0.31 -0.25 -0.08 0.00 1.02 0.00 0.00 30.24 31.24 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 -2.00 3.29 -0.23 -1.58 0.00 -1.26 -5.04 121.76 114.94 2wcv s ALA 97 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 2wcv s ALA 97 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 2wcv s ALA 97 CO 0.00 0.68 2.21 -0.35 0.00 0.00 0.00 175.76 178.30 2wcv n PRO 98 N 0.86 1.82 -1.52 0.00 -0.04 -1.26 -4.16 135.00 130.70 2wcv n PRO 98 Ca -0.12 0.51 -0.57 0.00 -0.04 0.00 0.00 63.50 63.28 2wcv n PRO 98 Cb 0.52 -3.08 -0.07 0.00 -0.04 0.00 0.00 33.50 30.83 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 0.08 -0.41 0.38 0.00 0.02 -1.26 -4.95 135.00 128.86 2wcv s PRO 100 Ca 0.88 0.99 -0.25 0.00 0.02 0.00 0.00 61.00 62.65 2wcv s PRO 100 Cb -1.18 -1.60 -0.09 0.00 0.02 0.00 0.00 34.50 31.65 2wcv s PRO 100 CO 0.54 -3.43 1.08 -0.51 -0.33 0.00 0.00 177.00 174.36 2wcv s ASP 101 N -2.60 6.78 -0.10 2.53 1.01 -1.26 -5.03 116.67 118.01 2wcv s ASP 101 Ca 0.68 2.14 -0.11 0.00 0.71 0.00 0.00 52.55 55.97 2wcv s ASP 101 Cb -0.24 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.04 2wcv s ASP 101 CO 0.63 -0.48 0.26 -0.63 0.21 0.00 0.00 175.17 175.16 2wcv s ILE 102 N -1.52 5.31 0.36 0.77 1.01 -1.26 -4.65 121.20 121.21 2wcv s ILE 102 Ca 0.55 0.48 0.06 0.00 0.00 0.00 0.00 60.65 61.75 2wcv s ILE 102 Cb -0.26 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 2wcv s ILE 102 CO 0.32 0.54 0.50 0.27 0.00 0.00 0.00 174.94 176.57 2wcv s ILE 103 N -0.59 3.87 0.00 2.92 -4.36 -0.48 -4.97 121.20 117.59 2wcv s ILE 103 Ca 0.17 -0.96 0.06 0.00 -0.26 0.00 0.00 60.65 59.66 2wcv s ILE 103 Cb -0.14 -3.34 -0.02 0.00 1.25 0.00 0.00 42.46 40.22 2wcv s ILE 103 CO 0.06 -0.14 -0.19 -0.60 0.24 0.00 0.00 174.94 174.31 2wcv s ARG 104 N -4.24 1.49 0.04 0.37 6.06 -1.26 -1.43 118.95 119.98 2wcv s ARG 104 Ca 0.47 -0.76 -0.01 0.00 -2.50 0.00 0.00 55.73 52.94 2wcv s ARG 104 Cb -0.10 -1.48 -0.03 0.00 0.06 0.00 0.00 34.95 33.40 2wcv s ARG 104 CO 0.32 0.40 -0.03 0.96 -2.50 0.00 0.00 175.30 174.45 2wcv s ILE 105 N -0.56 0.18 0.60 4.11 -4.36 -0.85 -4.82 121.20 115.51 2wcv s ILE 105 Ca 0.07 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 58.86 2wcv s ILE 105 Cb -0.08 -0.98 -0.09 0.00 1.25 0.00 0.00 42.46 42.56 2wcv s ILE 105 CO 0.00 -0.78 0.41 -3.20 0.24 0.00 0.00 174.94 171.61 2wcv n ASN 106 N 0.75 -1.53 0.24 4.36 5.15 -1.26 -0.13 115.26 122.84 2wcv n ASN 106 Ca -0.18 0.68 -0.16 0.00 -0.60 0.00 0.00 54.58 54.32 2wcv n ASN 106 Cb 0.58 -1.13 -0.08 0.00 -0.53 0.00 0.00 39.78 38.63 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 0.05 -0.68 0.00 1.20 2.43 -1.96 0.31 114.38 115.73 2wcv h ARG 107 Ca -0.45 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2wcv h ARG 107 Cb 1.39 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2wcv h ARG 107 CO 0.45 -0.46 0.00 0.74 -1.51 0.00 0.00 179.97 179.19 2wcv h PHE 108 N -0.71 0.00 0.00 2.20 0.04 -1.97 -0.65 116.94 115.85 2wcv h PHE 108 Ca -0.04 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.55 2wcv h PHE 108 Cb 0.61 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 2wcv h PHE 108 CO -0.15 0.00 -1.02 0.00 -0.60 0.00 0.00 178.31 176.55 2wcv h ALA 109 N 2.22 0.55 -0.22 2.45 0.00 -1.75 -2.48 119.26 120.03 2wcv h ALA 109 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 54.91 53.87 2wcv h ALA 109 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wcv h ALA 109 CO 0.00 1.07 -0.61 0.35 0.00 0.00 0.00 179.25 180.06 2wcv h PHE 110 N 0.00 1.03 -0.73 0.00 3.57 0.51 -2.71 116.94 118.61 2wcv h PHE 110 Ca -0.07 -0.41 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 2wcv h PHE 110 Cb 1.67 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 2wcv h PHE 110 CO 0.00 1.23 0.28 1.88 -2.23 0.00 0.00 178.31 179.47 2wcv h TYR 111 N 0.54 1.12 -0.56 0.41 0.99 -1.28 0.59 116.97 118.78 2wcv h TYR 111 Ca -0.01 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 2wcv h TYR 111 Cb 1.23 -0.33 -0.03 0.00 1.00 0.00 0.00 36.73 38.60 2wcv h TYR 111 CO 0.08 0.87 0.20 0.93 -0.00 0.00 0.00 178.16 180.23 2wcv h GLU 112 N 1.06 0.82 0.05 4.88 4.39 -1.40 0.31 114.58 124.69 2wcv h GLU 112 Ca 0.24 -0.14 -0.23 0.00 0.34 0.00 0.00 59.36 59.57 2wcv h GLU 112 Cb 0.22 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2wcv h GLU 112 CO -0.02 0.70 -1.08 -0.09 -1.16 0.00 0.00 179.01 177.36 2wcv h ARG 113 N 0.81 0.14 -0.16 2.33 2.43 -1.11 -3.17 114.38 115.65 2wcv h ARG 113 Ca 0.19 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2wcv h ARG 113 Cb 0.20 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2wcv h ARG 113 CO -0.01 1.08 -0.22 0.00 -1.51 0.00 0.00 179.97 179.31 2wcv h ALA 114 N 0.83 1.34 0.00 2.80 0.00 0.89 -1.78 119.26 123.34 2wcv h ALA 114 Ca -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2wcv h ALA 114 Cb 1.81 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2wcv h ALA 114 CO 0.16 0.45 -0.17 1.96 0.00 0.00 0.00 179.25 181.65 2wcv h GLN 115 N 0.25 0.00 -0.02 0.00 4.20 -0.93 -2.72 115.11 115.89 2wcv h GLN 115 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wcv h GLN 115 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2wcv h GLN 115 CO 0.04 0.17 -0.21 1.63 -0.67 0.00 0.00 178.83 179.78 2wcv n LYS 116 N -4.27 1.68 -0.84 1.46 4.01 -0.87 -4.35 118.16 114.98 2wcv n LYS 116 Ca -0.02 -1.35 -0.32 0.00 -0.51 0.00 0.00 58.31 56.10 2wcv n LYS 116 Cb 0.23 -1.41 0.15 0.00 -0.51 0.00 0.00 35.03 33.50 2wcv n LYS 116 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wcv n ALA 117 N 0.57 -0.62 0.13 7.82 0.00 -0.73 -4.91 120.51 122.77 2wcv n ALA 117 Ca 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 2wcv n ALA 117 Cb 0.48 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 17.85 2wcv n ALA 117 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2wcv h PHE 118 N -1.51 0.00 -2.04 0.00 3.04 -1.09 -3.41 116.94 111.92 2wcv h PHE 118 Ca -0.44 0.00 0.17 0.00 3.98 0.00 0.00 57.97 61.68 2wcv h PHE 118 Cb 1.28 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 39.65 2wcv h PHE 118 CO 0.48 0.66 0.59 0.00 -2.02 0.00 0.00 178.31 178.02 2wcv s ALA 119 N -3.32 -1.88 -0.06 2.41 0.00 -1.24 -4.19 121.76 113.48 2wcv s ALA 119 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.90 2wcv s ALA 119 Cb 0.11 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.60 2wcv s ALA 119 CO 0.76 -0.77 -0.04 0.42 0.00 0.00 0.00 175.76 176.12 2wcv s ILE 120 N -2.94 0.58 -0.41 0.00 1.01 -0.59 -1.71 121.20 117.14 2wcv s ILE 120 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 2wcv s ILE 120 Cb -0.00 -0.63 0.08 0.00 0.01 0.00 0.00 42.46 41.92 2wcv s ILE 120 CO -0.05 0.25 0.24 -0.69 0.00 0.00 0.00 174.94 174.69 2wcv s VAL 121 N 1.17 3.98 -0.26 2.92 1.01 0.18 -1.34 120.40 128.06 2wcv s VAL 121 Ca -0.07 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 2wcv s VAL 121 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2wcv s VAL 121 CO -0.01 -0.53 0.79 -0.51 0.00 0.00 0.00 175.10 174.83 2wcv s ILE 122 N 1.36 4.85 0.16 2.22 2.07 -0.99 -1.34 121.20 129.53 2wcv s ILE 122 Ca 0.03 1.40 0.03 0.00 -1.41 0.00 0.00 60.65 60.70 2wcv s ILE 122 Cb -0.23 -4.10 0.03 0.00 0.13 0.00 0.00 42.46 38.29 2wcv s ILE 122 CO 0.01 -0.10 0.21 0.35 -1.91 0.00 0.00 174.94 173.50 2wcv n THR 123 N 5.32 0.00 0.91 4.00 -2.24 -0.63 -0.46 114.28 121.18 2wcv n THR 123 Ca 0.04 -0.52 0.11 0.00 -2.27 0.00 0.00 64.05 61.40 2wcv n THR 123 Cb 0.48 -0.86 0.31 0.00 -2.10 0.00 0.00 70.33 68.16 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 3.09 0.78 3.69 3.38 0.00 0.11 -2.82 105.19 113.43 2wcv n GLY 124 Ca 0.04 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 0.73 2.57 -0.07 1.61 -0.58 -1.24 -4.68 120.64 118.98 2wcv n GLU 125 Ca 0.17 0.93 0.08 0.00 -0.42 0.00 0.00 57.16 57.92 2wcv n GLU 125 Cb 0.42 -2.79 0.11 0.00 -0.57 0.00 0.00 31.44 28.61 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 5.28 1.67 -2.58 3.49 1.74 -1.26 0.38 116.66 125.39 2wcv n ARG 126 Ca 0.18 -1.69 -0.41 0.00 -0.77 0.00 0.00 57.85 55.17 2wcv n ARG 126 Cb 0.34 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 2wcv n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wcv s ALA 127 N -1.25 3.36 0.55 7.54 0.00 -1.26 -4.98 121.76 125.73 2wcv s ALA 127 Ca 0.23 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 2wcv s ALA 127 Cb 0.15 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 2wcv s ALA 127 CO 0.21 -0.09 1.23 0.15 0.00 0.00 0.00 175.76 177.26 2wcv s LYS 128 N -0.75 3.21 -1.49 0.00 1.02 -1.26 -2.87 119.74 117.60 2wcv s LYS 128 Ca 0.46 1.91 -0.12 0.00 0.02 0.00 0.00 55.97 58.24 2wcv s LYS 128 Cb -0.29 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 2wcv s LYS 128 CO 0.35 -1.04 1.02 0.66 -0.92 0.00 0.00 175.35 175.42 2wcv n TYR 129 N -1.19 -2.41 -0.07 3.18 4.02 -1.26 -4.85 117.16 114.58 2wcv n TYR 129 Ca 0.11 0.93 0.05 0.00 -0.01 0.00 0.00 57.90 58.98 2wcv n TYR 129 Cb 0.48 -4.23 0.25 0.00 -0.02 0.00 0.00 39.34 35.82 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 -1.75 2.20 3.77 2.72 0.00 -1.14 -4.79 105.19 106.21 2wcv n GLY 130 Ca 0.02 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.60 7.40 -0.08 1.61 0.01 -1.26 -4.00 114.94 118.02 2wcv s ASN 131 Ca 0.34 1.66 -0.07 0.00 -0.71 0.00 0.00 52.86 54.09 2wcv s ASN 131 Cb 0.25 -2.51 0.02 0.00 0.41 0.00 0.00 41.25 39.42 2wcv s ASN 131 CO 0.13 0.19 0.21 -0.51 -1.51 0.00 0.00 177.10 175.61 2wcv s ILE 132 N -1.08 -0.01 -0.08 0.60 2.07 -0.72 -3.77 121.20 118.21 2wcv s ILE 132 Ca 0.36 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.65 2wcv s ILE 132 Cb -0.23 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 2wcv s ILE 132 CO 0.27 0.01 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.97 2wcv s LEU 133 N 0.33 2.86 -0.04 8.50 0.20 0.12 -1.10 118.68 129.56 2wcv s LEU 133 Ca -0.02 -0.18 0.06 0.00 0.69 0.00 0.00 54.13 54.68 2wcv s LEU 133 Cb -0.03 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 2wcv s LEU 133 CO -0.01 0.30 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.38 2wcv s LEU 134 N -0.44 2.33 -0.23 -0.68 1.02 -0.18 -1.63 118.68 118.87 2wcv s LEU 134 Ca 0.06 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 53.84 2wcv s LEU 134 Cb -0.12 -1.43 0.03 0.00 0.02 0.00 0.00 46.19 44.69 2wcv s LEU 134 CO 0.02 0.32 -0.11 -0.75 0.02 0.00 0.00 176.35 175.85 2wcv s LYS 135 N -0.59 2.78 0.33 1.70 2.20 -0.59 -1.60 119.74 123.96 2wcv s LYS 135 Ca 0.09 -1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 54.41 2wcv s LYS 135 Cb -0.11 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.25 2wcv s LYS 135 CO 0.00 -0.38 1.30 0.21 -0.36 0.00 0.00 175.35 176.12 2wcv s LYS 136 N 1.28 4.36 0.00 4.03 2.20 -0.76 -0.12 119.74 130.73 2wcv s LYS 136 Ca -0.00 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 2wcv s LYS 136 Cb -0.16 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2wcv s LYS 136 CO -0.07 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2wcv n GLY 137 N 0.81 2.86 3.56 5.54 0.00 0.16 -1.55 105.19 116.56 2wcv n GLY 137 Ca 0.00 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 1.16 4.42 -0.24 1.61 1.01 -1.26 -4.34 120.40 122.75 2wcv s VAL 138 Ca 0.00 0.66 -0.34 0.00 0.00 0.00 0.00 61.98 62.31 2wcv s VAL 138 Cb 0.00 -4.48 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 2wcv s VAL 138 CO 0.00 -0.93 2.07 0.41 0.00 0.00 0.00 175.10 176.65 2wcv n THR 139 N 6.40 0.35 0.46 3.92 -1.04 -1.26 -5.00 114.28 118.12 2wcv n THR 139 Ca 0.05 -0.24 0.04 0.00 -2.04 0.00 0.00 64.05 61.86 2wcv n THR 139 Cb 0.48 -1.87 0.22 0.00 -1.82 0.00 0.00 70.33 67.34 2wcv n THR 139 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62