#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld s ALA 2 N 0.00 -1.30 0.59 3.04 0.00 -1.26 -5.16 121.76 117.67 1bld s ALA 2 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1bld s ALA 2 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1bld s ALA 2 CO 0.00 -0.60 0.00 0.39 0.00 0.00 0.00 175.76 175.55 1bld n GLU 3 N 4.97 0.42 -2.88 0.00 4.71 -1.26 -4.82 120.64 121.78 1bld n GLU 3 Ca -0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 56.99 1bld n GLU 3 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.94 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bld n GLY 4 N 5.00 -2.58 0.00 0.62 0.00 -1.25 -4.95 105.19 102.04 1bld n GLY 4 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1bld n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bld n GLU 5 N 1.61 0.00 -1.77 1.61 -0.58 -0.92 -4.90 120.64 115.69 1bld n GLU 5 Ca -0.13 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.45 1bld n GLU 5 Cb 0.30 -0.05 0.09 0.00 -0.57 0.00 0.00 31.44 31.22 1bld n GLU 5 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1bld n ILE 6 N 0.00 0.00 -0.77 -3.67 -5.35 -1.26 -5.07 119.36 103.24 1bld n ILE 6 Ca 0.00 -0.96 -0.30 0.00 -0.27 0.00 0.00 62.75 61.21 1bld n ILE 6 Cb 0.00 -1.19 0.26 0.00 -1.74 0.00 0.00 39.64 36.97 1bld n ILE 6 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1bld s THR 7 N -2.20 1.40 0.00 7.28 -4.23 -1.26 -5.04 115.64 111.59 1bld s THR 7 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1bld s THR 7 Cb -0.02 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1bld s THR 7 CO 0.31 0.00 0.00 1.07 -0.54 0.00 0.00 174.62 175.46 1bld n THR 8 N -5.18 0.00 -1.62 3.99 5.66 -1.26 -5.11 114.28 110.77 1bld n THR 8 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1bld n THR 8 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bld n LEU 9 N 0.00 -1.79 0.00 1.09 4.77 -1.26 -4.88 117.00 114.93 1bld n LEU 9 Ca 0.00 2.96 -0.09 0.00 -0.03 0.00 0.00 56.01 58.86 1bld n LEU 9 Cb 0.00 -3.25 0.08 0.00 -2.33 0.00 0.00 43.42 37.93 1bld n LEU 9 CO 0.00 -0.69 0.10 -2.65 -1.33 0.00 0.00 177.39 172.82 1bld n PRO 10 N -2.44 -2.06 -1.32 3.23 -0.01 -1.26 -4.91 135.00 126.24 1bld n PRO 10 Ca 0.00 -0.42 -0.33 0.00 -0.01 0.00 0.00 63.50 62.75 1bld n PRO 10 Cb 0.44 -0.61 0.10 0.00 -0.01 0.00 0.00 33.50 33.42 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld s ALA 11 N -2.03 2.08 0.00 3.55 0.00 -1.26 -4.82 121.76 119.28 1bld s ALA 11 Ca 0.19 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1bld s ALA 11 Cb -0.03 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1bld s ALA 11 CO 0.16 -1.92 0.00 1.28 0.00 0.00 0.00 175.76 175.28 1bld n LEU 12 N -3.10 0.00 -4.76 0.00 4.77 -1.26 -5.13 117.00 107.51 1bld n LEU 12 Ca 0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.71 1bld n LEU 12 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1bld n LEU 12 CO 0.49 0.00 0.95 -2.16 -1.33 0.00 0.00 177.39 175.34 1bld s PRO 13 N 0.00 3.64 -0.65 3.23 0.05 -1.26 -3.78 135.00 136.24 1bld s PRO 13 Ca 0.00 2.12 -0.12 0.00 0.05 0.00 0.00 61.00 63.05 1bld s PRO 13 Cb 0.00 -2.52 0.02 0.00 0.05 0.00 0.00 34.50 32.05 1bld s PRO 13 CO 0.00 -0.75 0.64 0.39 0.05 0.00 0.00 177.00 177.33 1bld n GLU 14 N -0.39 -1.73 0.03 4.56 1.02 -1.26 -4.89 120.64 117.98 1bld n GLU 14 Ca 0.07 1.37 -0.05 0.00 -0.02 0.00 0.00 57.16 58.53 1bld n GLU 14 Cb 0.45 -3.86 -0.10 0.00 -0.02 0.00 0.00 31.44 27.90 1bld n GLU 14 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bld h ASP 15 N 0.87 0.00 0.00 1.62 3.32 -2.02 -3.49 116.42 116.73 1bld h ASP 15 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1bld h ASP 15 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1bld h ASP 15 CO 0.29 0.83 0.00 0.61 -1.72 0.00 0.00 179.24 179.25 1bld n GLY 16 N 1.42 2.97 0.03 2.75 0.00 -1.26 -4.63 105.19 106.47 1bld n GLY 16 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1bld n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 17 N 0.00 0.24 2.69 -0.02 0.00 -1.26 -4.98 105.19 101.86 1bld n GLY 17 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 1bld n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 18 N -1.51 0.52 -3.65 1.61 3.41 -1.26 -4.98 113.62 107.75 1bld n SER 18 Ca 0.00 -2.55 -0.37 0.00 -0.26 0.00 0.00 58.87 55.69 1bld n SER 18 Cb 0.00 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bld n GLY 19 N -0.31 5.39 0.00 5.00 0.00 -1.26 -4.93 105.19 109.07 1bld n GLY 19 Ca 0.05 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.38 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N 0.68 -0.01 -2.88 4.61 0.00 -1.26 -4.58 120.51 117.07 1bld n ALA 20 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1bld n ALA 20 Cb 0.34 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.00 1bld n ALA 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bld n PHE 21 N -0.97 -2.32 -0.68 0.00 -1.74 -1.26 -5.14 117.46 105.36 1bld n PHE 21 Ca 0.00 -2.39 -0.29 0.00 -0.56 0.00 0.00 57.45 54.21 1bld n PHE 21 Cb 0.00 1.00 0.22 0.00 1.52 0.00 0.00 39.48 42.23 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1bld s PRO 22 N -0.06 -0.38 1.28 3.97 0.05 -1.26 -4.89 135.00 133.70 1bld s PRO 22 Ca 0.31 0.90 -0.18 0.00 0.05 0.00 0.00 61.00 62.08 1bld s PRO 22 Cb 0.24 -1.61 0.31 0.00 0.05 0.00 0.00 34.50 33.48 1bld s PRO 22 CO -0.17 -3.38 0.81 -0.35 0.05 0.00 0.00 177.00 173.96 1bld n PRO 23 N -4.68 -3.34 -0.66 0.56 -0.04 -1.26 -2.69 135.00 122.89 1bld n PRO 23 Ca 0.05 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1bld n PRO 23 Cb 0.54 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bld n GLY 24 N 1.56 0.01 0.12 0.55 0.00 -1.26 -4.70 105.19 101.46 1bld n GLY 24 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1bld n GLY 24 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1bld h HIS 25 N 0.00 0.00 -0.65 1.61 6.17 -1.85 -3.31 115.15 117.12 1bld h HIS 25 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 60.37 60.73 1bld h HIS 25 Cb 0.31 0.00 -0.20 0.00 2.52 0.00 0.00 27.41 30.04 1bld h HIS 25 CO 0.19 0.31 0.45 1.19 0.71 0.00 0.00 177.93 180.78 1bld n PHE 26 N -2.89 2.02 0.15 5.26 3.72 -1.26 -4.30 117.46 120.15 1bld n PHE 26 Ca -0.03 -1.50 0.01 0.00 -0.05 0.00 0.00 57.45 55.88 1bld n PHE 26 Cb 0.69 -0.76 0.19 0.00 -0.94 0.00 0.00 39.48 38.66 1bld n PHE 26 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1bld h LYS 27 N 0.77 0.00 -6.54 -1.08 3.64 -1.90 -3.45 116.57 108.02 1bld h LYS 27 Ca 0.41 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 59.15 1bld h LYS 27 Cb 2.06 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.72 1bld h LYS 27 CO 0.76 0.57 -0.75 -0.51 -2.27 0.00 0.00 179.45 177.25 1bld s ASP 28 N -6.69 4.14 1.11 4.20 1.11 -1.26 -5.10 116.67 114.18 1bld s ASP 28 Ca -0.00 -0.56 -0.14 0.00 0.18 0.00 0.00 52.55 52.02 1bld s ASP 28 Cb 0.12 -0.67 0.19 0.00 1.07 0.00 0.00 42.92 43.62 1bld s ASP 28 CO 0.74 0.13 0.62 -2.65 1.18 0.00 0.00 175.17 175.20 1bld n PRO 29 N 0.34 -1.73 -3.74 8.23 -0.01 -1.26 -4.72 135.00 132.11 1bld n PRO 29 Ca -0.12 -0.47 -0.16 0.00 -0.01 0.00 0.00 63.50 62.73 1bld n PRO 29 Cb 0.54 -2.00 -0.16 0.00 -0.01 0.00 0.00 33.50 31.87 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1bld s LYS 30 N -4.02 -0.03 -0.16 -0.52 1.02 -1.15 -1.77 119.74 113.12 1bld s LYS 30 Ca 0.63 0.28 -0.23 0.00 0.02 0.00 0.00 55.97 56.67 1bld s LYS 30 Cb -0.20 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1bld s LYS 30 CO 0.65 -0.22 0.72 1.03 -0.92 0.00 0.00 175.35 176.62 1bld s ARG 31 N 1.43 4.29 -0.65 1.68 0.52 -0.96 -4.36 118.95 120.91 1bld s ARG 31 Ca -0.05 0.83 -0.25 0.00 -0.52 0.00 0.00 55.73 55.74 1bld s ARG 31 Cb -0.13 -3.55 0.05 0.00 0.52 0.00 0.00 34.95 31.85 1bld s ARG 31 CO -0.04 -0.21 1.06 -0.51 0.02 0.00 0.00 175.30 175.63 1bld s LEU 32 N 1.76 3.90 -0.26 2.53 1.43 -1.26 -2.35 118.68 124.42 1bld s LEU 32 Ca 0.34 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.70 1bld s LEU 32 Cb -0.16 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1bld s LEU 32 CO 0.13 -1.50 0.41 -0.47 0.23 0.00 0.00 176.35 175.15 1bld s TYR 33 N 4.57 3.26 -0.33 0.29 5.04 -1.23 -2.08 117.35 126.86 1bld s TYR 33 Ca 0.30 0.47 -0.25 0.00 -2.44 0.00 0.00 57.07 55.15 1bld s TYR 33 Cb -0.13 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.59 1bld s TYR 33 CO 0.15 -0.23 0.87 0.00 -1.34 0.00 0.00 175.55 175.00 1bld n LYS 35 N 6.46 0.15 -2.98 0.00 0.00 -1.16 -2.30 118.16 118.33 1bld n LYS 35 Ca 0.06 0.49 -0.43 0.00 0.00 0.00 0.00 58.31 58.43 1bld n LYS 35 Cb 0.48 -1.86 -0.05 0.00 0.00 0.00 0.00 35.03 33.59 1bld n LYS 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1bld s ASN 36 N -4.04 6.28 0.00 3.14 0.02 -1.26 -3.83 114.94 115.24 1bld s ASN 36 Ca 0.02 -0.65 0.00 0.00 -1.02 0.00 0.00 52.86 51.21 1bld s ASN 36 Cb 0.08 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.98 1bld s ASN 36 CO 0.30 -1.09 0.00 0.61 0.02 0.00 0.00 177.10 176.94 1bld n GLY 37 N 5.16 0.69 3.12 0.66 0.00 -1.26 -4.31 105.19 109.25 1bld n GLY 37 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1bld n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 38 N -2.33 -1.08 2.84 -0.02 0.00 -1.00 -5.01 105.19 98.59 1bld n GLY 38 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 1bld n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bld s PHE 39 N -1.68 -0.01 -0.11 1.61 0.08 -0.97 -4.68 117.98 112.20 1bld s PHE 39 Ca 0.19 0.13 -0.14 0.00 0.12 0.00 0.00 56.93 57.23 1bld s PHE 39 Cb -0.03 -0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1bld s PHE 39 CO 0.63 -0.06 0.33 -0.06 -0.10 0.00 0.00 175.22 175.96 1bld s PHE 40 N 0.59 3.54 0.41 0.36 0.40 -0.97 -0.12 117.98 122.19 1bld s PHE 40 Ca -0.05 0.72 -0.26 0.00 -0.60 0.00 0.00 56.93 56.75 1bld s PHE 40 Cb -0.07 -2.32 -0.08 0.00 0.51 0.00 0.00 43.02 41.06 1bld s PHE 40 CO -0.02 0.37 1.25 -1.17 0.70 0.00 0.00 175.22 176.35 1bld s LEU 41 N -0.02 4.20 -0.24 -0.37 2.96 -0.89 -1.40 118.68 122.93 1bld s LEU 41 Ca 0.19 2.53 -0.11 0.00 -0.22 0.00 0.00 54.13 56.53 1bld s LEU 41 Cb -0.14 -3.95 0.09 0.00 0.50 0.00 0.00 46.19 42.69 1bld s LEU 41 CO 0.07 -0.79 0.54 -0.60 -1.32 0.00 0.00 176.35 174.25 1bld s ARG 42 N -2.27 0.50 -0.18 1.98 3.52 -0.88 -4.70 118.95 116.93 1bld s ARG 42 Ca 0.57 1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 57.14 1bld s ARG 42 Cb -0.35 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1bld s ARG 42 CO 0.45 -0.19 0.40 0.42 -0.81 0.00 0.00 175.30 175.56 1bld s ILE 43 N 2.13 5.22 0.34 4.11 1.01 -1.26 -2.52 121.20 130.23 1bld s ILE 43 Ca -0.07 0.73 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 1bld s ILE 43 Cb -0.09 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 1bld s ILE 43 CO -0.16 0.29 0.82 -1.00 0.00 0.00 0.00 174.94 174.88 1bld s HIS 44 N 1.01 3.41 0.65 3.97 3.76 -0.80 -4.84 115.29 122.46 1bld s HIS 44 Ca 0.20 1.40 0.40 0.00 -0.15 0.00 0.00 55.06 56.92 1bld s HIS 44 Cb -0.14 -2.67 2.24 0.00 1.11 0.00 0.00 32.58 33.11 1bld s HIS 44 CO 0.08 0.07 2.31 -1.00 -0.85 0.00 0.00 174.74 175.34 1bld h PRO 45 N 2.37 0.00 0.00 8.40 0.13 -1.95 -0.46 132.00 140.50 1bld h PRO 45 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bld h PRO 45 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1bld n ASP 46 N -3.22 0.00 0.00 1.44 5.68 -1.26 -4.82 116.55 114.37 1bld n ASP 46 Ca -0.03 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1bld n ASP 46 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 47 N 0.29 1.97 3.38 6.12 0.00 -0.18 -5.00 105.19 111.77 1bld n GLY 47 Ca 0.04 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 -0.56 -3.92 1.61 5.12 -1.26 -2.53 116.66 115.12 1bld n ARG 48 Ca 0.00 -0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 55.67 1bld n ARG 48 Cb 0.00 -1.80 -0.14 0.00 -1.16 0.00 0.00 32.46 29.36 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bld s VAL 49 N -2.35 0.08 0.00 1.55 1.01 -1.26 -1.91 120.40 117.51 1bld s VAL 49 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1bld s VAL 49 Cb -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1bld s VAL 49 CO 0.68 -0.05 0.00 -0.90 0.00 0.00 0.00 175.10 174.83 1bld n ASP 50 N 2.86 0.11 -3.87 3.32 5.75 -1.05 -4.30 116.55 119.37 1bld n ASP 50 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.55 1bld n ASP 50 Cb 0.59 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N 0.00 0.09 -0.08 6.12 0.00 0.79 -2.08 107.32 112.16 1bld s GLY 51 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.22 1bld s GLY 51 CO 0.00 -0.60 0.20 -1.34 0.00 0.00 0.00 173.10 171.36 1bld s VAL 52 N -2.86 -0.00 -0.47 1.40 -7.23 -0.49 -4.75 120.40 105.99 1bld s VAL 52 Ca -0.03 0.01 0.25 0.00 -1.81 0.00 0.00 61.98 60.41 1bld s VAL 52 Cb 0.00 -0.29 0.32 0.00 0.56 0.00 0.00 36.38 36.98 1bld s VAL 52 CO -0.06 0.01 1.72 0.03 -0.31 0.00 0.00 175.10 176.49 1bld h ARG 53 N 5.95 0.00 -6.00 4.82 3.08 -1.87 -2.58 114.38 117.79 1bld h ARG 53 Ca -0.27 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.18 1bld h ARG 53 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1bld h ARG 53 CO 0.38 0.00 1.47 -1.91 -1.07 0.00 0.00 179.97 178.84 1bld n GLU 54 N -2.74 1.83 -0.49 0.04 4.07 -1.26 -4.80 120.64 117.29 1bld n GLU 54 Ca 0.04 0.51 -0.07 0.00 -0.06 0.00 0.00 57.16 57.58 1bld n GLU 54 Cb 0.44 -3.08 0.03 0.00 -0.06 0.00 0.00 31.44 28.78 1bld n GLU 54 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1bld n LYS 55 N 8.58 1.36 0.00 5.31 4.01 -1.26 -3.43 118.16 132.73 1bld n LYS 55 Ca 0.32 -0.78 0.00 0.00 -0.51 0.00 0.00 58.31 57.33 1bld n LYS 55 Cb 0.40 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.62 1bld n LYS 55 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1bld n SER 56 N 0.46 2.59 -4.37 4.39 2.88 -1.26 -2.17 113.62 116.15 1bld n SER 56 Ca 0.15 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.16 1bld n SER 56 Cb 0.68 0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 64.55 1bld n SER 56 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1bld n ASP 57 N -0.80 1.36 0.00 -3.46 8.00 -1.22 -4.69 116.55 115.74 1bld n ASP 57 Ca 0.00 0.47 0.01 0.00 0.71 0.00 0.00 54.79 55.99 1bld n ASP 57 Cb 0.01 -1.08 0.08 0.00 -0.02 0.00 0.00 41.12 40.11 1bld n ASP 57 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1bld n PRO 58 N 7.95 0.19 0.03 -0.24 -0.05 -1.26 -1.40 135.00 140.23 1bld n PRO 58 Ca 0.49 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 64.06 1bld n PRO 58 Cb 0.10 -1.23 0.01 0.00 -0.05 0.00 0.00 33.50 32.33 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bld n HIS 59 N -0.73 0.31 0.77 0.54 8.25 -1.26 -3.91 115.22 119.19 1bld n HIS 59 Ca 0.02 0.09 0.08 0.00 -0.26 0.00 0.00 57.72 57.65 1bld n HIS 59 Cb 0.01 -0.49 0.40 0.00 1.12 0.00 0.00 29.99 31.03 1bld n HIS 59 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bld n ILE 60 N -2.05 0.47 -2.37 1.59 -5.35 -0.49 -4.34 119.36 106.82 1bld n ILE 60 Ca 0.01 0.12 -0.39 0.00 -0.27 0.00 0.00 62.75 62.22 1bld n ILE 60 Cb 0.46 -0.87 -0.02 0.00 -1.74 0.00 0.00 39.64 37.47 1bld n ILE 60 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1bld n LYS 61 N -1.24 2.71 -3.26 6.28 5.02 -1.25 -4.60 118.16 121.82 1bld n LYS 61 Ca 0.08 -3.00 -0.39 0.00 -2.02 0.00 0.00 58.31 52.99 1bld n LYS 61 Cb 0.11 -3.55 -0.06 0.00 -0.02 0.00 0.00 35.03 31.52 1bld n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s LEU 62 N 6.00 4.41 -0.44 -0.35 1.43 -1.26 -3.29 118.68 125.18 1bld s LEU 62 Ca 0.58 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.54 1bld s LEU 62 Cb 0.03 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.44 1bld s LEU 62 CO 0.09 0.12 0.72 -1.58 0.23 0.00 0.00 176.35 175.93 1bld s GLN 63 N -0.22 3.38 0.45 1.70 0.74 0.22 -2.95 119.66 122.98 1bld s GLN 63 Ca 0.29 -0.19 -0.06 0.00 0.05 0.00 0.00 55.36 55.46 1bld s GLN 63 Cb -0.18 -3.93 -0.04 0.00 1.10 0.00 0.00 33.01 29.96 1bld s GLN 63 CO 0.16 -1.05 0.76 -0.51 -0.55 0.00 0.00 175.29 174.10 1bld s LEU 64 N 3.07 3.70 0.29 3.68 1.02 -1.26 -1.19 118.68 127.98 1bld s LEU 64 Ca 0.27 0.92 0.03 0.00 0.02 0.00 0.00 54.13 55.37 1bld s LEU 64 Cb -0.13 -3.86 -0.03 0.00 0.02 0.00 0.00 46.19 42.19 1bld s LEU 64 CO 0.21 -0.52 0.27 -1.10 0.02 0.00 0.00 176.35 175.22 1bld s GLN 65 N -4.54 1.61 0.01 1.70 -1.52 0.47 -4.89 119.66 112.51 1bld s GLN 65 Ca 0.47 -1.86 0.03 0.00 -1.95 0.00 0.00 55.36 52.06 1bld s GLN 65 Cb -0.10 0.33 -0.01 0.00 -0.22 0.00 0.00 33.01 33.00 1bld s GLN 65 CO 0.42 -0.59 -0.10 0.00 -0.25 0.00 0.00 175.29 174.76 1bld s ALA 66 N -3.61 0.83 -0.06 6.09 0.00 -1.26 -2.48 121.76 121.26 1bld s ALA 66 Ca 0.39 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 1bld s ALA 66 Cb 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1bld s ALA 66 CO 0.22 0.17 0.21 -2.00 0.00 0.00 0.00 175.76 174.37 1bld s GLU 67 N -0.53 0.34 4.33 0.00 2.56 -1.03 -4.89 118.70 119.48 1bld s GLU 67 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.97 55.10 1bld s GLU 67 Cb -0.05 0.16 0.00 0.00 2.00 0.00 0.00 34.13 36.24 1bld s GLU 67 CO 0.00 -0.06 0.00 0.39 -0.56 0.00 0.00 175.26 175.03 1bld n GLU 68 N 2.49 0.00 -3.76 4.30 1.02 -1.26 -4.06 120.64 119.36 1bld n GLU 68 Ca -0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.86 1bld n GLU 68 Cb 0.58 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.88 1bld n GLU 68 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1bld s ARG 69 N 0.00 0.31 -0.02 3.49 3.03 -1.26 -4.82 118.95 119.68 1bld s ARG 69 Ca 0.00 0.44 0.00 0.00 2.03 0.00 0.00 55.73 58.20 1bld s ARG 69 Cb 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 34.95 34.02 1bld s ARG 69 CO 0.00 -0.07 0.00 0.41 -1.13 0.00 0.00 175.30 174.51 1bld n GLY 70 N 3.22 0.37 2.95 3.88 0.00 -1.26 -4.98 105.19 109.36 1bld n GLY 70 Ca -0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N -1.73 0.03 0.25 1.61 1.01 -1.26 -3.58 120.40 116.74 1bld s VAL 71 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1bld s VAL 71 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1bld s VAL 71 CO 0.00 -0.16 0.17 1.33 0.00 0.00 0.00 175.10 176.44 1bld n VAL 72 N 2.55 0.00 -3.73 2.92 0.24 -1.26 -2.48 118.33 116.57 1bld n VAL 72 Ca -0.16 -1.69 -0.16 0.00 -2.04 0.00 0.00 64.34 60.29 1bld n VAL 72 Cb 0.58 0.77 -0.16 0.00 -1.47 0.00 0.00 33.84 33.56 1bld n VAL 72 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1bld s SER 73 N -2.67 0.35 0.12 -1.34 0.01 -1.04 -4.09 113.70 105.04 1bld s SER 73 Ca 0.23 0.17 -0.06 0.00 1.31 0.00 0.00 55.95 57.61 1bld s SER 73 Cb 0.01 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.23 1bld s SER 73 CO 0.17 -0.18 0.37 -0.63 0.41 0.00 0.00 173.24 173.38 1bld s ILE 74 N 1.53 5.17 -0.09 1.44 1.01 -1.26 -0.40 121.20 128.59 1bld s ILE 74 Ca -0.04 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1bld s ILE 74 Cb -0.12 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1bld s ILE 74 CO -0.04 0.10 0.23 -0.75 0.00 0.00 0.00 174.94 174.48 1bld s LYS 75 N -2.47 0.24 0.11 2.79 2.20 -0.34 -3.92 119.74 118.36 1bld s LYS 75 Ca 0.39 0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 56.12 1bld s LYS 75 Cb -0.12 0.05 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 1bld s LYS 75 CO 0.23 -0.07 0.81 0.20 -0.36 0.00 0.00 175.35 176.16 1bld s GLY 76 N 0.49 2.89 0.00 5.54 0.00 -0.23 0.69 107.32 116.71 1bld s GLY 76 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1bld s GLY 76 CO -0.03 1.08 0.05 -0.62 0.00 0.00 0.00 173.10 173.59 1bld n VAL 77 N 2.29 0.00 -0.16 1.40 0.31 -1.21 -1.24 118.33 119.74 1bld n VAL 77 Ca -0.03 0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.42 1bld n VAL 77 Cb 0.49 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 -1.02 -0.21 4.52 0.87 -1.87 0.82 113.55 116.66 1bld h SER 78 Ca 0.00 0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1bld h SER 78 Cb 0.00 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1bld h SER 78 CO 0.00 -0.30 0.17 0.00 -0.53 0.00 0.00 176.83 176.17 1bld h ALA 79 N 0.96 2.07 -6.37 6.23 0.00 -1.89 -3.45 119.26 116.82 1bld h ALA 79 Ca 0.21 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.63 1bld h ALA 79 Cb 0.53 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1bld h ALA 79 CO -0.59 -0.28 -0.82 0.09 0.00 0.00 0.00 179.25 177.65 1bld n ASN 80 N -4.25 -2.45 -3.99 0.00 4.13 0.29 -4.96 115.26 104.02 1bld n ASN 80 Ca 0.02 -0.89 -0.13 0.00 1.68 0.00 0.00 54.58 55.26 1bld n ASN 80 Cb 0.31 -3.53 -0.13 0.00 -1.54 0.00 0.00 39.78 34.90 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bld s ARG 81 N -6.49 0.39 -0.11 3.52 0.52 -1.20 -4.73 118.95 110.84 1bld s ARG 81 Ca 0.33 -0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 54.88 1bld s ARG 81 Cb -0.17 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 1bld s ARG 81 CO 0.86 0.04 0.56 0.71 0.02 0.00 0.00 175.30 177.49 1bld s TYR 82 N -0.83 3.52 0.64 -0.53 1.51 0.23 -1.07 117.35 120.81 1bld s TYR 82 Ca -0.06 1.01 -0.18 0.00 -1.01 0.00 0.00 57.07 56.83 1bld s TYR 82 Cb -0.06 -2.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1bld s TYR 82 CO -0.00 0.11 1.11 -0.11 -1.11 0.00 0.00 175.55 175.56 1bld n LEU 83 N 3.83 4.80 -4.06 -1.29 7.94 -1.25 -1.61 117.00 125.36 1bld n LEU 83 Ca -0.05 0.80 -0.10 0.00 -1.11 0.00 0.00 56.01 55.56 1bld n LEU 83 Cb 0.51 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.91 1bld n LEU 83 CO 0.44 -1.49 -0.14 0.00 -1.11 0.00 0.00 177.39 175.09 1bld s ALA 84 N -1.48 0.43 -0.04 1.96 0.00 0.83 -4.52 121.76 118.94 1bld s ALA 84 Ca 0.79 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1bld s ALA 84 Cb -0.39 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.66 1bld s ALA 84 CO 0.44 -0.58 0.01 1.41 0.00 0.00 0.00 175.76 177.03 1bld s MET 85 N -4.02 0.34 0.23 0.00 1.75 -0.99 -2.46 119.30 114.15 1bld s MET 85 Ca 0.22 0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 54.76 1bld s MET 85 Cb 0.05 -0.59 0.05 0.00 2.84 0.00 0.00 34.83 37.18 1bld s MET 85 CO 0.02 -0.19 0.32 1.63 -0.65 0.00 0.00 175.02 176.15 1bld n LYS 86 N 4.45 0.33 0.00 4.11 4.76 -1.03 -4.90 118.16 125.88 1bld n LYS 86 Ca -0.20 -0.83 -0.07 0.00 -2.87 0.00 0.00 58.31 54.33 1bld n LYS 86 Cb 0.50 -0.23 -0.13 0.00 -1.84 0.00 0.00 35.03 33.34 1bld n LYS 86 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1bld h GLU 87 N 0.00 0.00 0.00 1.97 4.11 -2.02 -3.27 114.58 115.37 1bld h GLU 87 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1bld h GLU 87 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1bld h GLU 87 CO 0.11 0.57 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 1bld n ASP 88 N -3.09 0.00 0.00 3.06 5.68 -1.26 -4.77 116.55 116.17 1bld n ASP 88 Ca -0.12 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1bld n ASP 88 Cb 1.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N -0.01 0.54 3.60 6.12 0.00 -1.23 -4.72 105.19 109.49 1bld n GLY 89 Ca 0.10 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1bld n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 90 N -0.63 3.90 0.02 1.61 0.52 -1.26 -3.51 118.95 119.60 1bld s ARG 90 Ca 0.00 0.24 -0.19 0.00 -0.52 0.00 0.00 55.73 55.26 1bld s ARG 90 Cb 0.00 -3.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 1bld s ARG 90 CO 0.00 -0.53 0.54 -0.51 0.02 0.00 0.00 175.30 174.82 1bld s LEU 91 N 2.51 4.46 0.34 2.53 1.02 -1.26 -2.45 118.68 125.82 1bld s LEU 91 Ca 0.23 1.14 -0.06 0.00 0.02 0.00 0.00 54.13 55.46 1bld s LEU 91 Cb -0.15 -2.83 0.01 0.00 0.02 0.00 0.00 46.19 43.23 1bld s LEU 91 CO 0.11 0.20 0.52 -1.48 0.02 0.00 0.00 176.35 175.72 1bld s LEU 92 N -0.63 0.79 0.33 1.79 0.05 -1.03 -4.46 118.68 115.52 1bld s LEU 92 Ca 0.28 -1.37 0.08 0.00 0.05 0.00 0.00 54.13 53.17 1bld s LEU 92 Cb -0.18 1.69 -0.04 0.00 -2.05 0.00 0.00 46.19 45.61 1bld s LEU 92 CO 0.17 -1.33 0.17 0.00 -0.55 0.00 0.00 176.35 174.80 1bld s ALA 93 N -3.06 3.57 0.09 1.48 0.00 -1.05 -0.12 121.76 122.66 1bld s ALA 93 Ca 0.27 -1.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 1bld s ALA 93 Cb -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1bld s ALA 93 CO 0.18 0.05 0.27 -1.12 0.00 0.00 0.00 175.76 175.13 1bld s SER 94 N -3.87 -0.02 0.00 0.00 0.01 -0.63 -4.86 113.70 104.32 1bld s SER 94 Ca 0.38 -0.48 0.28 0.00 1.31 0.00 0.00 55.95 57.44 1bld s SER 94 Cb -0.04 0.38 1.16 0.00 0.21 0.00 0.00 66.02 67.73 1bld s SER 94 CO 0.23 -0.74 1.80 0.29 0.41 0.00 0.00 173.24 175.24 1bld n LYS 95 N 0.00 1.48 -3.70 12.44 5.02 -1.26 0.75 118.16 132.89 1bld n LYS 95 Ca -0.16 -0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 55.18 1bld n LYS 95 Cb 0.62 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.98 1bld n LYS 95 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bld s SER 96 N -2.05 0.65 0.70 4.39 0.01 -1.26 -4.83 113.70 111.32 1bld s SER 96 Ca 0.38 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.63 1bld s SER 96 Cb 0.21 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.45 1bld s SER 96 CO 0.36 -0.21 1.17 0.54 0.41 0.00 0.00 173.24 175.51 1bld s VAL 97 N 1.79 2.64 0.22 3.43 0.11 -1.26 -4.85 120.40 122.48 1bld s VAL 97 Ca -0.01 0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 59.23 1bld s VAL 97 Cb -0.12 -2.85 -0.00 0.00 -1.53 0.00 0.00 36.38 31.87 1bld s VAL 97 CO -0.04 -0.17 0.43 0.42 -3.33 0.00 0.00 175.10 172.41 1bld s THR 98 N -2.11 0.02 0.61 5.04 -4.23 -1.26 -4.99 115.64 108.71 1bld s THR 98 Ca 0.72 -1.35 0.26 0.00 -1.18 0.00 0.00 61.69 60.14 1bld s THR 98 Cb -0.26 -2.07 0.35 0.00 1.34 0.00 0.00 72.50 71.86 1bld s THR 98 CO 0.44 -0.07 1.64 -2.24 -0.54 0.00 0.00 174.62 173.84 1bld h ASP 99 N 2.32 0.00 -1.34 3.99 3.04 -2.01 0.48 116.42 122.89 1bld h ASP 99 Ca -0.28 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 52.93 1bld h ASP 99 Cb 1.25 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.33 1bld h ASP 99 CO 0.39 0.00 0.62 -0.62 -2.04 0.00 0.00 179.24 177.59 1bld n GLU 100 N -3.35 2.50 0.00 4.15 1.02 -1.26 -3.97 120.64 119.72 1bld n GLU 100 Ca 0.11 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 1bld n GLU 100 Cb 0.94 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bld s PHE 102 N 0.00 3.48 -0.22 0.00 0.08 -1.25 -4.53 117.98 115.53 1bld s PHE 102 Ca 0.00 0.22 -0.04 0.00 0.12 0.00 0.00 56.93 57.23 1bld s PHE 102 Cb 0.00 -1.76 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 1bld s PHE 102 CO 0.00 0.34 0.35 -0.06 -0.10 0.00 0.00 175.22 175.75 1bld s PHE 103 N -2.01 -0.69 0.59 0.36 0.08 -1.26 -3.41 117.98 111.64 1bld s PHE 103 Ca 0.37 0.88 -0.19 0.00 0.12 0.00 0.00 56.93 58.11 1bld s PHE 103 Cb -0.10 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.30 1bld s PHE 103 CO 0.31 -0.62 0.97 1.19 -0.10 0.00 0.00 175.22 176.97 1bld n PHE 104 N 5.36 0.85 -3.84 0.36 3.72 0.42 -4.22 117.46 120.10 1bld n PHE 104 Ca -0.05 0.44 -0.30 0.00 -0.05 0.00 0.00 57.45 57.49 1bld n PHE 104 Cb 0.50 -2.15 -0.14 0.00 -0.94 0.00 0.00 39.48 36.75 1bld n PHE 104 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1bld s GLU 105 N -2.69 1.52 -0.26 -1.08 2.12 -1.23 0.02 118.70 117.10 1bld s GLU 105 Ca 0.75 -2.14 -0.19 0.00 0.36 0.00 0.00 54.97 53.75 1bld s GLU 105 Cb -0.43 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1bld s GLU 105 CO 0.48 -1.10 0.55 0.50 -0.54 0.00 0.00 175.26 175.15 1bld s ARG 106 N 0.29 4.09 -0.10 4.30 3.52 -0.71 -4.86 118.95 125.48 1bld s ARG 106 Ca 0.16 0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 55.89 1bld s ARG 106 Cb -0.24 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 1bld s ARG 106 CO -0.03 -0.36 0.89 -1.17 -0.81 0.00 0.00 175.30 173.81 1bld s LEU 107 N 2.34 4.26 0.00 -0.88 0.20 -1.26 -1.84 118.68 121.50 1bld s LEU 107 Ca 0.23 1.37 -0.06 0.00 0.69 0.00 0.00 54.13 56.37 1bld s LEU 107 Cb -0.16 -3.36 0.13 0.00 -0.43 0.00 0.00 46.19 42.37 1bld s LEU 107 CO 0.09 -0.33 0.85 -0.62 -0.29 0.00 0.00 176.35 176.04 1bld n GLU 108 N 4.64 -0.38 -1.98 1.98 1.02 -0.91 -4.96 120.64 120.05 1bld n GLU 108 Ca 0.05 -1.79 -0.37 0.00 -0.02 0.00 0.00 57.16 55.03 1bld n GLU 108 Cb 0.50 -0.72 -0.01 0.00 -0.02 0.00 0.00 31.44 31.19 1bld n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1bld n SER 109 N -3.24 7.41 -1.07 1.62 7.64 -1.26 -4.13 113.62 120.58 1bld n SER 109 Ca 0.12 -3.37 -0.04 0.00 1.01 0.00 0.00 58.87 56.59 1bld n SER 109 Cb 0.43 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bld n ASN 110 N 0.82 -0.76 0.00 6.43 6.94 -1.26 -4.95 115.26 122.48 1bld n ASN 110 Ca 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 1bld n ASN 110 Cb 0.33 0.25 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1bld n ASN 111 N -0.16 0.00 -4.70 0.53 4.13 -1.26 -4.91 115.26 108.89 1bld n ASN 111 Ca -0.19 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.69 1bld n ASN 111 Cb 0.60 -1.87 -0.06 0.00 -1.54 0.00 0.00 39.78 36.91 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bld s TYR 112 N -1.25 3.46 0.49 3.10 2.02 -1.26 -4.94 117.35 118.97 1bld s TYR 112 Ca 0.00 0.87 0.01 0.00 -0.37 0.00 0.00 57.07 57.59 1bld s TYR 112 Cb 0.00 -2.62 0.01 0.00 -0.40 0.00 0.00 41.96 38.95 1bld s TYR 112 CO 0.00 0.05 0.71 -0.80 -1.57 0.00 0.00 175.55 173.94 1bld s ASN 113 N 0.85 5.57 -0.06 2.29 0.01 -1.17 -2.13 114.94 120.30 1bld s ASN 113 Ca 0.26 0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.51 1bld s ASN 113 Cb -0.15 -1.19 0.03 0.00 0.41 0.00 0.00 41.25 40.35 1bld s ASN 113 CO 0.11 -0.90 0.01 0.42 -1.51 0.00 0.00 177.10 175.23 1bld s THR 114 N -2.63 0.31 -0.54 1.60 -4.23 -0.77 -2.77 115.64 106.62 1bld s THR 114 Ca 0.53 0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.99 1bld s THR 114 Cb -0.10 -0.47 0.06 0.00 1.34 0.00 0.00 72.50 73.33 1bld s THR 114 CO 0.38 0.24 0.70 -0.31 -0.54 0.00 0.00 174.62 175.10 1bld s TYR 115 N 1.94 2.98 0.01 3.99 2.02 -1.26 -1.73 117.35 125.30 1bld s TYR 115 Ca 0.04 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 56.15 1bld s TYR 115 Cb -0.12 -3.75 -0.04 0.00 -0.40 0.00 0.00 41.96 37.65 1bld s TYR 115 CO -0.05 -1.16 0.24 1.03 -1.57 0.00 0.00 175.55 174.04 1bld s ARG 116 N 2.91 3.52 0.92 -0.62 0.52 0.10 -2.56 118.95 123.75 1bld s ARG 116 Ca 0.17 -0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 55.09 1bld s ARG 116 Cb -0.19 -3.07 0.15 0.00 0.52 0.00 0.00 34.95 32.36 1bld s ARG 116 CO 0.12 0.64 1.12 0.45 0.02 0.00 0.00 175.30 177.65 1bld s SER 117 N -1.88 2.98 -0.11 0.23 0.15 -1.07 0.16 113.70 114.16 1bld s SER 117 Ca 0.29 2.02 -0.05 0.00 0.70 0.00 0.00 55.95 58.90 1bld s SER 117 Cb -0.13 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1bld s SER 117 CO 0.18 -3.04 -0.10 -0.09 1.20 0.00 0.00 173.24 171.39 1bld h ARG 118 N -1.82 0.00 -0.08 5.44 2.43 -1.92 -3.33 114.38 115.10 1bld h ARG 118 Ca -0.46 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 1bld h ARG 118 Cb 1.27 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1bld h ARG 118 CO 0.45 0.00 -0.45 -0.22 -1.51 0.00 0.00 179.97 178.23 1bld h LYS 119 N -0.83 0.45 -2.42 0.20 3.64 -1.88 -3.29 116.57 112.44 1bld h LYS 119 Ca 0.00 -0.38 -0.72 0.00 -1.27 0.00 0.00 60.65 58.29 1bld h LYS 119 Cb 0.30 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 32.03 1bld h LYS 119 CO 0.00 1.01 1.76 0.66 -2.27 0.00 0.00 179.45 180.61 1bld n TYR 120 N -4.29 2.48 0.00 1.91 4.01 -1.26 -4.70 117.16 115.31 1bld n TYR 120 Ca -0.08 -2.60 0.00 0.00 -0.16 0.00 0.00 57.90 55.05 1bld n TYR 120 Cb 0.58 -1.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.00 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 1.13 0.05 0.71 -0.72 -2.24 -1.24 -1.13 114.28 110.84 1bld n THR 121 Ca 0.57 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 62.42 1bld n THR 121 Cb 0.30 -1.01 0.17 0.00 -2.10 0.00 0.00 70.33 67.68 1bld n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bld n SER 122 N -0.97 2.19 -3.62 3.42 7.64 -1.26 -4.85 113.62 116.17 1bld n SER 122 Ca 0.00 -2.08 -0.14 0.00 1.01 0.00 0.00 58.87 57.65 1bld n SER 122 Cb 0.00 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 1bld n SER 122 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bld s TRP 123 N -1.58 -0.39 0.31 1.43 0.51 -0.28 -4.96 118.94 113.99 1bld s TRP 123 Ca 0.25 0.53 0.10 0.00 -2.12 0.00 0.00 56.10 54.85 1bld s TRP 123 Cb 0.14 0.28 -0.06 0.00 -0.81 0.00 0.00 33.47 33.02 1bld s TRP 123 CO 0.15 -0.56 -0.13 0.71 -0.51 0.00 0.00 176.95 176.61 1bld s TYR 124 N -1.91 2.31 -0.05 -1.98 1.51 -1.26 -2.61 117.35 113.36 1bld s TYR 124 Ca -0.08 -0.46 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 1bld s TYR 124 Cb -0.02 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1bld s TYR 124 CO 0.02 0.60 0.78 0.08 -1.11 0.00 0.00 175.55 175.92 1bld s VAL 125 N -2.62 4.99 -0.13 0.71 1.01 -1.06 -4.83 120.40 118.47 1bld s VAL 125 Ca 0.31 1.63 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 1bld s VAL 125 Cb 0.00 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1bld s VAL 125 CO 0.15 0.23 0.49 0.00 0.00 0.00 0.00 175.10 175.97 1bld s ALA 126 N 0.85 -1.22 0.46 5.51 0.00 -1.26 -4.66 121.76 121.44 1bld s ALA 126 Ca 0.42 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1bld s ALA 126 Cb -0.19 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1bld s ALA 126 CO 0.21 -0.26 0.65 -0.51 0.00 0.00 0.00 175.76 175.85 1bld s LEU 127 N -0.27 3.58 0.00 0.00 1.43 -1.26 -0.74 118.68 121.41 1bld s LEU 127 Ca -0.04 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1bld s LEU 127 Cb -0.03 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1bld s LEU 127 CO 0.03 -0.82 0.00 0.29 0.23 0.00 0.00 176.35 176.07 1bld n LYS 128 N -2.04 1.41 0.00 1.70 5.02 -0.13 -4.62 118.16 119.49 1bld n LYS 128 Ca 0.05 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.46 1bld n LYS 128 Cb 0.59 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.92 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N -0.57 0.01 0.00 1.97 1.85 -1.26 -3.49 116.66 115.16 1bld n ARG 129 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 1bld n ARG 129 Cb 0.00 -1.51 0.30 0.00 -1.05 0.00 0.00 32.46 30.21 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1bld n THR 130 N -1.52 0.00 -1.22 8.89 5.66 -1.26 -4.92 114.28 119.91 1bld n THR 130 Ca 0.06 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1bld n THR 130 Cb 0.34 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1bld n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bld n GLY 131 N 1.35 1.05 3.70 1.09 0.00 -1.23 -4.95 105.19 106.20 1bld n GLY 131 Ca 0.12 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1bld n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 132 N -2.70 2.10 -0.25 1.61 -1.52 -1.26 -0.15 119.66 117.50 1bld s GLN 132 Ca 0.00 -2.30 -0.23 0.00 -1.95 0.00 0.00 55.36 50.88 1bld s GLN 132 Cb 0.00 -1.44 -0.01 0.00 -0.22 0.00 0.00 33.01 31.34 1bld s GLN 132 CO 0.00 -0.30 0.74 1.52 -0.25 0.00 0.00 175.29 177.00 1bld s TYR 133 N -2.89 3.30 0.13 0.91 1.13 -1.26 -0.96 117.35 117.71 1bld s TYR 133 Ca 0.14 1.00 -0.31 0.00 -1.41 0.00 0.00 57.07 56.50 1bld s TYR 133 Cb 0.04 -2.96 -0.07 0.00 -1.10 0.00 0.00 41.96 37.87 1bld s TYR 133 CO 0.08 -0.36 1.28 0.21 -2.51 0.00 0.00 175.55 174.24 1bld s LYS 134 N 2.68 4.40 0.32 -3.49 2.20 0.08 -4.81 119.74 121.13 1bld s LYS 134 Ca 0.31 1.94 -0.28 0.00 -0.36 0.00 0.00 55.97 57.59 1bld s LYS 134 Cb -0.15 -3.26 -0.13 0.00 -1.51 0.00 0.00 37.83 32.77 1bld s LYS 134 CO 0.08 -0.28 1.10 -0.11 -0.36 0.00 0.00 175.35 175.77 1bld n LEU 135 N 3.41 2.45 0.00 5.43 7.94 -1.26 -4.68 117.00 130.29 1bld n LEU 135 Ca 0.08 1.17 0.02 0.00 -1.11 0.00 0.00 56.01 56.17 1bld n LEU 135 Cb 0.44 -1.36 0.13 0.00 0.53 0.00 0.00 43.42 43.16 1bld n LEU 135 CO 0.57 -1.12 0.31 0.61 -1.11 0.00 0.00 177.39 176.65 1bld n GLY 136 N 1.07 -0.23 0.11 -3.96 0.00 -1.23 -1.81 105.19 99.14 1bld n GLY 136 Ca 0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1bld n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 137 N -0.80 1.36 0.01 1.61 3.41 -1.26 -4.08 113.62 113.87 1bld n SER 137 Ca 0.03 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1bld n SER 137 Cb 0.01 -0.30 0.23 0.00 -0.26 0.00 0.00 64.21 63.89 1bld n SER 137 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bld n LYS 138 N -3.20 0.05 -2.27 4.33 4.76 -0.75 -4.89 118.16 116.18 1bld n LYS 138 Ca -0.26 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 54.81 1bld n LYS 138 Cb 1.06 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 32.71 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1bld s THR 139 N -3.03 3.12 0.00 -0.18 -4.23 -1.14 -4.97 115.64 105.21 1bld s THR 139 Ca 0.10 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 1bld s THR 139 Cb 0.17 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1bld s THR 139 CO 0.71 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1bld n GLY 140 N 0.52 -0.73 3.54 3.99 0.00 -1.26 -4.76 105.19 106.49 1bld n GLY 140 Ca 0.06 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -2.00 -0.44 0.00 1.61 0.04 -1.26 -3.59 135.00 129.37 1bld s PRO 141 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1bld s PRO 141 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1bld s PRO 141 CO 0.00 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 173.98 1bld n GLY 142 N 0.71 2.45 3.73 0.56 0.00 -1.26 -4.98 105.19 106.39 1bld n GLY 142 Ca 0.06 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1bld n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 143 N 0.00 4.69 0.00 1.61 -0.21 -1.24 -4.91 119.66 119.60 1bld s GLN 143 Ca 0.00 1.42 0.08 0.00 0.02 0.00 0.00 55.36 56.88 1bld s GLN 143 Cb 0.00 -3.37 0.26 0.00 1.00 0.00 0.00 33.01 30.90 1bld s GLN 143 CO 0.00 0.25 1.20 1.63 -2.12 0.00 0.00 175.29 176.24 1bld n LYS 144 N 2.68 1.43 0.00 2.91 5.02 -1.26 -3.91 118.16 125.02 1bld n LYS 144 Ca 0.02 -0.66 0.04 0.00 -2.02 0.00 0.00 58.31 55.68 1bld n LYS 144 Cb 0.49 -1.17 0.22 0.00 -0.02 0.00 0.00 35.03 34.55 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bld n ALA 145 N 0.02 1.68 1.10 7.82 0.00 -1.26 -0.96 120.51 128.91 1bld n ALA 145 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1bld n ALA 145 Cb 0.16 -1.13 0.15 0.00 0.00 0.00 0.00 19.45 18.63 1bld n ALA 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bld n ILE 146 N -1.13 0.00 -2.82 0.00 -5.35 -1.25 -4.40 119.36 104.41 1bld n ILE 146 Ca 0.05 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 61.81 1bld n ILE 146 Cb 0.04 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 1bld n ILE 146 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bld s LEU 147 N -2.32 4.56 0.43 7.28 1.43 -0.13 -4.31 118.68 125.62 1bld s LEU 147 Ca 0.24 -1.71 0.03 0.00 -1.03 0.00 0.00 54.13 51.65 1bld s LEU 147 Cb 0.19 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 1bld s LEU 147 CO 0.47 -1.24 0.62 -0.36 0.23 0.00 0.00 176.35 176.07 1bld s PHE 148 N 3.48 3.13 -0.40 0.29 0.40 -1.11 -2.96 117.98 120.81 1bld s PHE 148 Ca 0.34 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1bld s PHE 148 Cb -0.06 -2.27 0.25 0.00 0.51 0.00 0.00 43.02 41.45 1bld s PHE 148 CO -0.06 -0.31 0.55 -0.11 0.70 0.00 0.00 175.22 175.98 1bld n LEU 149 N -1.97 -0.15 -4.57 -0.37 7.94 -0.63 -3.04 117.00 114.21 1bld n LEU 149 Ca 0.02 -4.55 -0.40 0.00 -1.11 0.00 0.00 56.01 49.97 1bld n LEU 149 Cb 0.58 0.65 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.45 2.05 1.81 -2.84 -1.11 0.00 0.00 177.39 177.76 1bld s PRO 150 N -0.95 2.72 -0.08 1.96 0.02 -1.26 -3.58 135.00 133.83 1bld s PRO 150 Ca 0.35 1.47 -0.13 0.00 0.02 0.00 0.00 61.00 62.70 1bld s PRO 150 Cb 0.17 -4.42 -0.05 0.00 0.02 0.00 0.00 34.50 30.22 1bld s PRO 150 CO -0.13 -2.58 0.33 -1.64 -0.33 0.00 0.00 177.00 172.66 1bld s MET 151 N 7.01 3.96 0.11 5.54 -1.94 -0.99 -4.88 119.30 128.12 1bld s MET 151 Ca 0.90 0.22 -0.31 0.00 -1.71 0.00 0.00 55.69 54.79 1bld s MET 151 Cb -0.22 -3.29 -0.08 0.00 2.01 0.00 0.00 34.83 33.25 1bld s MET 151 CO 0.29 0.53 1.35 0.45 -0.01 0.00 0.00 175.02 177.63 1bld s SER 152 N -0.48 6.88 -1.21 3.03 0.15 -1.26 -2.26 113.70 118.55 1bld s SER 152 Ca 0.20 2.28 -0.04 0.00 0.70 0.00 0.00 55.95 59.09 1bld s SER 152 Cb -0.15 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 61.76 1bld s SER 152 CO 0.09 -0.61 2.21 0.00 1.20 0.00 0.00 173.24 176.13 1bld n ALA 153 N 3.83 6.57 -1.00 5.45 0.00 -0.73 -4.85 120.51 129.78 1bld n ALA 153 Ca 0.11 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1bld n ALA 153 Cb 0.43 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1bld n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bld n LYS 154 N 1.11 0.00 0.00 0.00 5.02 -1.26 -4.69 118.16 118.33 1bld n LYS 154 Ca 0.57 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 1bld n LYS 154 Cb 0.26 -0.43 0.50 0.00 -0.02 0.00 0.00 35.03 35.34 1bld n LYS 154 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75