#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld n ALA 2 N 0.00 0.00 -0.55 3.04 0.00 -1.26 -4.86 120.51 116.88 1bld n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bld n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bld n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bld n GLU 3 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -4.59 120.64 114.21 1bld n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1bld n GLU 3 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bld n GLY 4 N 0.00 -1.51 0.00 0.62 0.00 -1.26 -4.84 105.19 98.19 1bld n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bld n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bld n GLU 5 N 0.00 0.89 -1.56 1.61 0.00 -1.25 -4.70 120.64 115.61 1bld n GLU 5 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 1bld n GLU 5 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.33 1bld n GLU 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1bld n ILE 6 N -0.90 0.00 -0.83 3.84 5.41 -1.26 -4.51 119.36 121.11 1bld n ILE 6 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1bld n ILE 6 Cb 0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 1bld n ILE 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1bld n THR 7 N 8.97 -2.90 -2.72 1.39 -1.04 -1.26 -4.98 114.28 111.74 1bld n THR 7 Ca 0.41 1.16 -0.08 0.00 -2.04 0.00 0.00 64.05 63.50 1bld n THR 7 Cb 0.46 -1.64 0.10 0.00 -1.82 0.00 0.00 70.33 67.44 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bld n THR 8 N -1.18 0.09 -3.39 12.58 -1.04 -1.26 -4.94 114.28 115.14 1bld n THR 8 Ca 0.00 -1.76 -0.30 0.00 -2.04 0.00 0.00 64.05 59.95 1bld n THR 8 Cb 0.05 1.04 -0.04 0.00 -1.82 0.00 0.00 70.33 69.56 1bld n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1bld s LEU 9 N -2.96 4.12 0.96 -4.42 1.43 -1.26 -5.05 118.68 111.50 1bld s LEU 9 Ca 0.23 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 1bld s LEU 9 Cb 0.38 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 43.11 1bld s LEU 9 CO -0.07 -0.12 0.76 -2.65 0.23 0.00 0.00 176.35 174.49 1bld n PRO 10 N -0.49 -0.61 -3.88 1.29 -0.01 -1.26 -4.91 135.00 125.13 1bld n PRO 10 Ca -0.01 -0.13 -0.00 0.00 -0.01 0.00 0.00 63.50 63.36 1bld n PRO 10 Cb 0.53 -2.10 0.01 0.00 -0.01 0.00 0.00 33.50 31.93 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 -2.50 -2.05 -0.43 3.55 0.00 -1.26 -5.09 121.76 113.99 1bld s ALA 11 Ca 0.62 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1bld s ALA 11 Cb -0.22 0.76 0.26 0.00 0.00 0.00 0.00 23.12 23.92 1bld s ALA 11 CO 0.63 -1.10 0.70 -0.11 0.00 0.00 0.00 175.76 175.88 1bld n LEU 12 N -0.74 -1.02 0.00 0.00 0.00 -1.26 -5.13 117.00 108.84 1bld n LEU 12 Ca -0.01 -4.17 0.00 0.00 0.00 0.00 0.00 56.01 51.83 1bld n LEU 12 Cb 0.60 0.73 0.00 0.00 0.00 0.00 0.00 43.42 44.75 1bld n LEU 12 CO 0.17 2.06 0.00 -0.81 0.00 0.00 0.00 177.39 178.81 1bld n PRO 13 N 1.35 -0.65 -0.96 1.96 -0.04 -1.26 -4.75 135.00 130.65 1bld n PRO 13 Ca 0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 1bld n PRO 13 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 1bld n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bld n GLU 14 N -1.16 2.27 -0.55 0.54 1.02 -1.26 -4.62 120.64 116.88 1bld n GLU 14 Ca 0.00 -1.27 -0.01 0.00 -0.02 0.00 0.00 57.16 55.86 1bld n GLU 14 Cb 0.00 -2.21 -0.01 0.00 -0.02 0.00 0.00 31.44 29.20 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bld n ASP 15 N 3.01 5.37 0.00 1.62 9.92 -1.26 -3.32 116.55 131.89 1bld n ASP 15 Ca 0.49 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 52.31 1bld n ASP 15 Cb 0.58 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bld n GLY 16 N 1.56 0.00 0.07 0.44 0.00 -1.26 -5.03 105.19 100.97 1bld n GLY 16 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1bld n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bld h GLY 17 N 0.00 0.00 -5.00 -0.02 0.00 -1.92 -3.46 103.07 92.66 1bld h GLY 17 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1bld h GLY 17 CO 0.00 0.00 -0.24 1.44 0.00 0.00 0.00 176.54 177.74 1bld n SER 18 N -4.62 -2.03 0.00 0.19 7.64 -1.26 -5.11 113.62 108.43 1bld n SER 18 Ca -0.11 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1bld n SER 18 Cb 0.32 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bld n GLY 19 N 1.63 2.61 0.00 0.23 0.00 -1.26 -5.09 105.19 103.32 1bld n GLY 19 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.11 -0.10 4.61 0.00 -1.26 -4.76 120.51 120.11 1bld n ALA 20 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1bld n ALA 20 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1bld n ALA 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bld n PHE 21 N -1.46 0.70 -0.94 0.00 3.72 -1.26 -4.93 117.46 113.30 1bld n PHE 21 Ca 0.00 0.26 -0.29 0.00 -0.05 0.00 0.00 57.45 57.37 1bld n PHE 21 Cb 0.00 -1.08 0.19 0.00 -0.94 0.00 0.00 39.48 37.66 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1bld s PRO 22 N -2.45 0.16 0.00 -1.08 0.05 -1.26 -5.01 135.00 125.42 1bld s PRO 22 Ca -0.31 0.75 0.00 0.00 0.05 0.00 0.00 61.00 61.49 1bld s PRO 22 Cb 0.09 -1.69 0.00 0.00 0.05 0.00 0.00 34.50 32.95 1bld s PRO 22 CO 0.59 -2.97 0.00 -2.30 0.05 0.00 0.00 177.00 172.37 1bld n PRO 23 N -4.38 -1.34 0.00 0.56 -0.01 -1.26 -3.95 135.00 124.63 1bld n PRO 23 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.54 1bld n PRO 23 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.04 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bld n GLY 24 N 0.00 1.80 2.65 -1.23 0.00 -1.26 -4.76 105.19 102.39 1bld n GLY 24 Ca 0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1bld n GLY 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bld n HIS 25 N 0.00 2.66 -1.00 1.61 -0.00 -1.25 -4.25 115.22 112.98 1bld n HIS 25 Ca 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 57.72 55.06 1bld n HIS 25 Cb 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.53 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1bld n PHE 26 N 0.93 0.00 -1.20 1.57 3.01 -1.26 -4.87 117.46 115.64 1bld n PHE 26 Ca 0.49 -0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.76 1bld n PHE 26 Cb 0.27 -0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.65 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1bld n LYS 27 N -0.00 2.12 -3.14 -1.08 5.02 -1.26 -4.59 118.16 115.23 1bld n LYS 27 Ca 0.00 -1.62 0.03 0.00 -2.02 0.00 0.00 58.31 54.69 1bld n LYS 27 Cb 0.37 -1.99 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s ASP 28 N 1.09 -1.37 -0.07 4.39 1.01 -1.26 -5.10 116.67 115.36 1bld s ASP 28 Ca 0.57 -0.27 -0.30 0.00 0.71 0.00 0.00 52.55 53.26 1bld s ASP 28 Cb 0.33 1.79 -0.08 0.00 1.01 0.00 0.00 42.92 45.97 1bld s ASP 28 CO -0.11 -0.20 2.05 -2.65 0.21 0.00 0.00 175.17 174.47 1bld n PRO 29 N 4.81 2.45 -3.62 8.23 -0.02 -1.26 -4.60 135.00 140.98 1bld n PRO 29 Ca 0.08 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 1bld n PRO 29 Cb 0.56 -3.02 -0.06 0.00 -0.02 0.00 0.00 33.50 30.97 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bld s LYS 30 N 5.07 3.74 0.03 -0.52 3.01 -1.26 -3.79 119.74 126.02 1bld s LYS 30 Ca 0.94 0.16 -0.22 0.00 -1.01 0.00 0.00 55.97 55.84 1bld s LYS 30 Cb -0.45 -3.09 -0.06 0.00 -1.01 0.00 0.00 37.83 33.22 1bld s LYS 30 CO 0.41 0.63 0.65 1.03 0.51 0.00 0.00 175.35 178.59 1bld s ARG 31 N -1.58 4.37 -0.23 1.68 0.52 -0.98 -4.40 118.95 118.33 1bld s ARG 31 Ca 0.28 0.86 -0.25 0.00 -0.52 0.00 0.00 55.73 56.09 1bld s ARG 31 Cb -0.14 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 1bld s ARG 31 CO 0.15 0.39 0.86 -0.51 0.02 0.00 0.00 175.30 176.21 1bld s LEU 32 N -0.34 4.10 -0.37 2.53 1.43 -1.26 -2.18 118.68 122.59 1bld s LEU 32 Ca 0.33 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.47 1bld s LEU 32 Cb -0.19 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1bld s LEU 32 CO 0.20 -0.52 0.15 -0.47 0.23 0.00 0.00 176.35 175.94 1bld s TYR 33 N 2.78 3.32 -0.61 0.29 5.04 -1.24 -2.40 117.35 124.52 1bld s TYR 33 Ca 0.37 -1.59 -0.27 0.00 -2.44 0.00 0.00 57.07 53.13 1bld s TYR 33 Cb -0.15 -2.56 0.01 0.00 0.35 0.00 0.00 41.96 39.61 1bld s TYR 33 CO 0.08 -0.79 1.43 0.00 -1.34 0.00 0.00 175.55 174.93 1bld h LYS 35 N 11.26 0.05 -6.06 0.00 3.11 -1.86 -1.16 116.57 121.90 1bld h LYS 35 Ca -0.27 -0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.03 1bld h LYS 35 Cb 1.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 1bld h LYS 35 CO 1.21 0.04 1.37 -0.80 -2.81 0.00 0.00 179.45 178.45 1bld s ASN 36 N -4.75 5.44 0.00 4.20 0.02 -1.26 -2.31 114.94 116.28 1bld s ASN 36 Ca -0.06 0.99 0.00 0.00 -1.02 0.00 0.00 52.86 52.77 1bld s ASN 36 Cb 0.25 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 39.00 1bld s ASN 36 CO 0.83 -2.12 0.00 0.61 0.02 0.00 0.00 177.10 176.44 1bld n GLY 37 N 5.62 0.31 3.07 0.66 0.00 -1.26 -4.02 105.19 109.57 1bld n GLY 37 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.35 -1.27 3.11 -0.02 0.00 -0.49 -5.00 105.19 100.17 1bld n GLY 38 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.84 2.02 -0.37 1.61 0.08 -0.92 -4.59 117.98 113.97 1bld s PHE 39 Ca 0.20 -0.84 -0.21 0.00 0.12 0.00 0.00 56.93 56.20 1bld s PHE 39 Cb -0.04 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 1bld s PHE 39 CO 0.69 -0.39 0.66 -0.06 -0.10 0.00 0.00 175.22 176.02 1bld s PHE 40 N 0.63 3.13 0.33 0.36 0.08 0.85 -1.10 117.98 122.26 1bld s PHE 40 Ca -0.14 0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.98 1bld s PHE 40 Cb -0.16 -3.21 -0.13 0.00 -0.57 0.00 0.00 43.02 38.94 1bld s PHE 40 CO 0.04 -0.68 0.88 -0.11 -0.10 0.00 0.00 175.22 175.26 1bld n LEU 41 N 6.14 1.34 -3.49 -0.37 7.94 -1.01 -1.54 117.00 126.01 1bld n LEU 41 Ca -0.00 1.10 -0.14 0.00 -1.11 0.00 0.00 56.01 55.85 1bld n LEU 41 Cb 0.48 -1.24 -0.11 0.00 0.53 0.00 0.00 43.42 43.08 1bld n LEU 41 CO 0.50 -1.82 -0.14 -0.60 -1.11 0.00 0.00 177.39 174.22 1bld s ARG 42 N -1.59 0.23 -0.39 1.96 3.52 -0.33 -4.56 118.95 117.78 1bld s ARG 42 Ca 0.61 0.44 -0.21 0.00 -0.13 0.00 0.00 55.73 56.44 1bld s ARG 42 Cb -0.68 -0.69 0.01 0.00 -1.56 0.00 0.00 34.95 32.03 1bld s ARG 42 CO 0.59 -0.56 0.69 0.42 -0.81 0.00 0.00 175.30 175.63 1bld s ILE 43 N 2.42 4.80 0.53 4.11 1.01 -1.26 -2.31 121.20 130.51 1bld s ILE 43 Ca 0.07 0.51 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 1bld s ILE 43 Cb -0.15 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1bld s ILE 43 CO -0.12 -0.47 1.05 -1.00 0.00 0.00 0.00 174.94 174.39 1bld s HIS 44 N 2.92 2.97 0.58 3.97 3.76 -0.95 -4.66 115.29 123.88 1bld s HIS 44 Ca 0.26 1.55 0.27 0.00 -0.15 0.00 0.00 55.06 56.99 1bld s HIS 44 Cb -0.14 -3.06 1.60 0.00 1.11 0.00 0.00 32.58 32.10 1bld s HIS 44 CO 0.18 -0.99 2.10 -1.35 -0.85 0.00 0.00 174.74 173.82 1bld h PRO 45 N 1.08 0.00 0.00 8.40 0.10 -1.90 0.31 132.00 139.98 1bld h PRO 45 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1bld h PRO 45 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.32 1bld h PRO 45 CO 0.58 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.28 1bld n ASP 46 N -3.93 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 110.15 1bld n ASP 46 Ca 0.02 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.51 1bld n ASP 46 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 0.54 2.57 3.58 6.12 0.00 0.11 -4.93 105.19 113.17 1bld n GLY 47 Ca 0.18 -0.24 -0.53 0.00 0.00 0.00 0.00 46.02 45.43 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 1.30 -3.58 1.61 1.74 -1.26 -3.72 116.66 112.76 1bld n ARG 48 Ca 0.00 0.43 -0.34 0.00 -0.77 0.00 0.00 57.85 57.17 1bld n ARG 48 Cb 0.00 -2.37 -0.05 0.00 -1.02 0.00 0.00 32.46 29.02 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bld s VAL 49 N 5.44 5.09 -0.19 1.55 1.01 -1.26 -2.23 120.40 129.82 1bld s VAL 49 Ca 1.03 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 1bld s VAL 49 Cb -0.91 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 31.96 1bld s VAL 49 CO 0.55 0.23 1.02 1.51 0.00 0.00 0.00 175.10 178.41 1bld s ASP 50 N -1.89 -0.37 0.23 3.32 1.47 -0.98 -4.43 116.67 114.03 1bld s ASP 50 Ca 0.35 0.47 -0.07 0.00 1.18 0.00 0.00 52.55 54.48 1bld s ASP 50 Cb -0.14 0.39 -0.06 0.00 -0.34 0.00 0.00 42.92 42.77 1bld s ASP 50 CO 0.19 -0.30 0.52 -0.83 0.68 0.00 0.00 175.17 175.43 1bld s GLY 51 N -0.86 2.13 0.03 2.12 0.00 0.48 -1.19 107.32 110.03 1bld s GLY 51 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 44.72 44.20 1bld s GLY 51 CO -0.00 -0.31 0.19 -1.34 0.00 0.00 0.00 173.10 171.64 1bld s VAL 52 N -1.87 0.10 -2.39 1.40 -7.23 -0.59 -4.60 120.40 105.21 1bld s VAL 52 Ca 0.45 -0.82 0.28 0.00 -1.81 0.00 0.00 61.98 60.07 1bld s VAL 52 Cb -0.11 -0.78 0.52 0.00 0.56 0.00 0.00 36.38 36.56 1bld s VAL 52 CO 0.25 -0.45 1.73 0.54 -0.31 0.00 0.00 175.10 176.85 1bld n ARG 53 N 0.91 1.54 -2.57 4.82 1.74 -1.26 -0.10 116.66 121.73 1bld n ARG 53 Ca -0.20 -0.89 -0.41 0.00 -0.77 0.00 0.00 57.85 55.58 1bld n ARG 53 Cb 0.58 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bld s GLU 54 N -2.07 3.67 0.00 5.56 2.02 -1.26 -4.77 118.70 121.85 1bld s GLU 54 Ca 0.36 -1.31 0.14 0.00 0.02 0.00 0.00 54.97 54.18 1bld s GLU 54 Cb 0.21 -5.38 0.70 0.00 0.10 0.00 0.00 34.13 29.76 1bld s GLU 54 CO 0.36 -2.21 1.34 0.36 0.02 0.00 0.00 175.26 175.14 1bld n LYS 55 N 8.73 0.22 -0.28 1.61 2.85 -1.26 -2.39 118.16 127.63 1bld n LYS 55 Ca 0.36 0.14 -0.00 0.00 -1.05 0.00 0.00 58.31 57.75 1bld n LYS 55 Cb 0.50 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.48 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bld n SER 56 N -1.25 2.57 -4.16 -5.58 3.41 -1.26 -3.97 113.62 103.38 1bld n SER 56 Ca 0.07 -2.31 -0.38 0.00 -0.26 0.00 0.00 58.87 55.98 1bld n SER 56 Cb 0.10 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -0.07 5.47 0.00 4.04 1.01 -1.01 -4.93 116.67 121.19 1bld s ASP 57 Ca 0.16 -1.99 0.02 0.00 0.71 0.00 0.00 52.55 51.45 1bld s ASP 57 Cb 0.12 -1.91 0.10 0.00 1.01 0.00 0.00 42.92 42.24 1bld s ASP 57 CO 0.04 -0.61 0.44 -2.65 0.21 0.00 0.00 175.17 172.59 1bld n PRO 58 N 4.73 0.08 0.00 8.23 -0.02 -1.26 -1.57 135.00 145.19 1bld n PRO 58 Ca -0.05 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.58 1bld n PRO 58 Cb 0.41 -1.32 0.63 0.00 -0.02 0.00 0.00 33.50 33.20 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bld n HIS 59 N -0.82 0.00 1.46 6.00 8.25 -1.26 -3.25 115.22 125.60 1bld n HIS 59 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1bld n HIS 59 Cb 0.01 -0.18 0.50 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.97 0.08 -2.40 1.59 -5.35 -0.61 -4.08 119.36 107.62 1bld n ILE 60 Ca 0.15 -0.26 -0.40 0.00 -0.27 0.00 0.00 62.75 61.97 1bld n ILE 60 Cb 0.27 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.48 1bld n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bld s LYS 61 N -1.92 3.05 -0.15 6.28 1.02 -1.20 -4.67 119.74 122.15 1bld s LYS 61 Ca 0.36 0.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.32 1bld s LYS 61 Cb 0.19 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.23 1bld s LYS 61 CO 0.30 -2.28 0.11 -0.51 -0.92 0.00 0.00 175.35 172.05 1bld s LEU 62 N 6.65 4.16 -0.50 3.17 1.43 -1.26 -2.67 118.68 129.66 1bld s LEU 62 Ca 0.45 0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1bld s LEU 62 Cb -0.09 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1bld s LEU 62 CO 0.17 0.30 0.77 -1.58 0.23 0.00 0.00 176.35 176.24 1bld s GLN 63 N -0.35 3.28 0.34 1.70 0.74 0.63 -4.02 119.66 121.98 1bld s GLN 63 Ca 0.11 -0.41 -0.14 0.00 0.05 0.00 0.00 55.36 54.96 1bld s GLN 63 Cb -0.12 -4.02 -0.09 0.00 1.10 0.00 0.00 33.01 29.88 1bld s GLN 63 CO 0.01 -1.26 0.74 -0.51 -0.55 0.00 0.00 175.29 173.73 1bld s LEU 64 N 3.27 4.03 -0.15 3.68 1.02 -1.26 -1.44 118.68 127.82 1bld s LEU 64 Ca 0.25 1.26 -0.09 0.00 0.02 0.00 0.00 54.13 55.56 1bld s LEU 64 Cb -0.14 -4.07 0.05 0.00 0.02 0.00 0.00 46.19 42.04 1bld s LEU 64 CO 0.18 -0.24 0.36 -1.58 0.02 0.00 0.00 176.35 175.10 1bld s GLN 65 N -3.12 0.36 -0.03 1.70 0.74 -0.84 -4.97 119.66 113.51 1bld s GLN 65 Ca 0.54 0.65 -0.18 0.00 0.05 0.00 0.00 55.36 56.42 1bld s GLN 65 Cb -0.10 0.02 -0.05 0.00 1.10 0.00 0.00 33.01 33.98 1bld s GLN 65 CO 0.19 -0.13 0.49 0.00 -0.55 0.00 0.00 175.29 175.30 1bld s ALA 66 N 1.02 3.56 -0.24 1.58 0.00 -1.26 -0.68 121.76 125.74 1bld s ALA 66 Ca -0.07 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1bld s ALA 66 Cb -0.07 -2.58 -0.18 0.00 0.00 0.00 0.00 23.12 20.29 1bld s ALA 66 CO -0.08 0.24 -0.17 -1.91 0.00 0.00 0.00 175.76 173.83 1bld n GLU 67 N 2.64 0.66 0.00 0.00 4.07 -1.03 -4.94 120.64 122.04 1bld n GLU 67 Ca -0.10 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1bld n GLU 67 Cb 0.52 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.39 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1bld n GLU 68 N -3.15 0.00 0.00 5.31 1.02 -1.20 -5.05 120.64 117.57 1bld n GLU 68 Ca -0.42 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 1bld n GLU 68 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.42 1bld n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bld n ARG 69 N 0.00 0.00 0.00 3.49 5.12 -1.26 -4.60 116.66 119.41 1bld n ARG 69 Ca 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.96 1bld n ARG 69 Cb 0.00 0.00 0.24 0.00 -1.16 0.00 0.00 32.46 31.54 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bld n GLY 70 N 5.00 -0.68 3.72 -0.13 0.00 -1.26 -4.71 105.19 107.13 1bld n GLY 70 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 5.13 0.18 1.61 1.01 -1.26 -3.03 120.40 122.04 1bld s VAL 71 Ca 0.12 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 1bld s VAL 71 Cb 0.06 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1bld s VAL 71 CO 0.09 0.29 0.09 0.68 0.00 0.00 0.00 175.10 176.26 1bld s VAL 72 N 0.71 0.16 -0.08 2.92 -7.23 -1.26 -2.45 120.40 113.17 1bld s VAL 72 Ca 0.30 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1bld s VAL 72 Cb -0.16 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.47 1bld s VAL 72 CO 0.13 -0.18 0.13 -0.44 -0.31 0.00 0.00 175.10 174.44 1bld s SER 73 N -3.15 0.96 0.27 4.85 0.01 0.15 -3.19 113.70 113.59 1bld s SER 73 Ca 0.33 0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.71 1bld s SER 73 Cb 0.07 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 1bld s SER 73 CO 0.08 -0.26 0.57 -0.63 0.41 0.00 0.00 173.24 173.42 1bld s ILE 74 N 2.26 4.96 -0.17 1.44 1.01 -1.26 -1.99 121.20 127.45 1bld s ILE 74 Ca 0.04 0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1bld s ILE 74 Cb -0.12 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.75 1bld s ILE 74 CO -0.06 -0.21 0.31 -0.75 0.00 0.00 0.00 174.94 174.24 1bld s LYS 75 N -3.21 0.22 0.24 2.79 2.20 -0.52 -3.92 119.74 117.53 1bld s LYS 75 Ca 0.46 0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 56.51 1bld s LYS 75 Cb -0.11 -0.09 -0.12 0.00 -1.51 0.00 0.00 37.83 36.00 1bld s LYS 75 CO 0.26 -0.35 1.67 0.41 -0.36 0.00 0.00 175.35 176.98 1bld n GLY 76 N 5.36 1.44 0.05 5.54 0.00 0.01 -0.27 105.19 117.32 1bld n GLY 76 Ca -0.06 0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 1bld n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bld h VAL 77 N 3.61 0.00 -0.21 1.61 2.07 -1.84 0.11 116.25 121.60 1bld h VAL 77 Ca -0.45 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 1bld h VAL 77 Cb 1.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1bld h VAL 77 CO 0.89 0.00 -0.33 0.77 0.02 0.00 0.00 177.57 178.93 1bld h SER 78 N -0.98 0.44 1.52 0.57 4.64 -1.87 -2.73 113.55 115.15 1bld h SER 78 Ca 0.00 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 1bld h SER 78 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1bld h SER 78 CO 0.00 0.75 -0.49 0.00 -0.87 0.00 0.00 176.83 176.22 1bld h ALA 79 N 1.28 0.77 -6.20 5.18 0.00 -1.83 -3.48 119.26 114.98 1bld h ALA 79 Ca 0.05 -0.21 -0.43 0.00 0.00 0.00 0.00 54.91 54.32 1bld h ALA 79 Cb 0.76 0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.61 1bld h ALA 79 CO 0.06 0.26 -0.90 0.09 0.00 0.00 0.00 179.25 178.76 1bld n ASN 80 N -3.02 -3.23 -3.82 0.00 3.02 0.36 -4.90 115.26 103.66 1bld n ASN 80 Ca 0.01 -0.94 -0.12 0.00 -0.03 0.00 0.00 54.58 53.50 1bld n ASN 80 Cb 0.62 -3.61 -0.09 0.00 -0.61 0.00 0.00 39.78 36.09 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bld s ARG 81 N -6.00 0.55 -0.15 3.52 0.52 -1.19 -4.49 118.95 111.71 1bld s ARG 81 Ca 0.25 -0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 55.04 1bld s ARG 81 Cb -0.08 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1bld s ARG 81 CO 0.85 -0.14 0.35 0.71 0.02 0.00 0.00 175.30 177.08 1bld s TYR 82 N -1.26 3.46 0.34 -0.53 1.51 0.17 -0.81 117.35 120.24 1bld s TYR 82 Ca -0.13 0.67 -0.29 0.00 -1.01 0.00 0.00 57.07 56.31 1bld s TYR 82 Cb -0.06 -2.41 -0.10 0.00 -0.11 0.00 0.00 41.96 39.27 1bld s TYR 82 CO 0.03 0.20 1.36 -1.17 -1.11 0.00 0.00 175.55 174.86 1bld s LEU 83 N 0.58 4.40 -0.14 -1.29 2.96 -1.25 -2.37 118.68 121.56 1bld s LEU 83 Ca 0.19 2.79 -0.09 0.00 -0.22 0.00 0.00 54.13 56.79 1bld s LEU 83 Cb -0.14 -3.65 0.05 0.00 0.50 0.00 0.00 46.19 42.95 1bld s LEU 83 CO 0.06 -0.64 0.35 0.00 -1.32 0.00 0.00 176.35 174.80 1bld s ALA 84 N -1.06 -0.88 -0.14 5.97 0.00 -0.23 -4.38 121.76 121.04 1bld s ALA 84 Ca 0.51 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 1bld s ALA 84 Cb -0.42 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1bld s ALA 84 CO 0.55 -0.22 0.25 1.41 0.00 0.00 0.00 175.76 177.76 1bld s MET 85 N 0.97 4.06 0.81 0.00 1.75 -1.24 -2.02 119.30 123.64 1bld s MET 85 Ca -0.06 0.04 -0.11 0.00 -1.25 0.00 0.00 55.69 54.30 1bld s MET 85 Cb -0.07 -3.36 0.08 0.00 2.84 0.00 0.00 34.83 34.32 1bld s MET 85 CO -0.07 0.40 1.09 0.15 -0.65 0.00 0.00 175.02 175.94 1bld s LYS 86 N 0.00 1.96 0.00 4.11 -0.14 -0.73 -4.88 119.74 120.06 1bld s LYS 86 Ca 0.16 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.50 1bld s LYS 86 Cb -0.13 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 1bld s LYS 86 CO 0.04 -1.73 0.70 0.39 -0.76 0.00 0.00 175.35 173.99 1bld n GLU 87 N -3.52 0.94 0.00 1.68 1.02 -1.26 -3.40 120.64 116.09 1bld n GLU 87 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1bld n GLU 87 Cb 0.56 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bld n ASP 88 N 0.28 1.49 0.00 1.62 5.68 -1.26 -5.04 116.55 119.31 1bld n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1bld n ASP 88 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 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 2.42 0.30 3.64 6.12 0.00 -1.22 -4.32 105.19 112.12 1bld n GLY 89 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.02 -0.11 1.61 0.52 -1.26 -1.93 118.95 121.79 1bld s ARG 90 Ca 0.00 1.13 -0.17 0.00 -0.52 0.00 0.00 55.73 56.17 1bld s ARG 90 Cb 0.00 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1bld s ARG 90 CO 0.00 -0.98 0.44 -0.51 0.02 0.00 0.00 175.30 174.27 1bld s LEU 91 N 3.89 4.29 0.00 2.53 1.02 -1.26 -1.77 118.68 127.38 1bld s LEU 91 Ca 0.49 0.78 0.00 0.00 0.02 0.00 0.00 54.13 55.42 1bld s LEU 91 Cb -0.14 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1bld s LEU 91 CO 0.18 0.05 0.09 0.00 0.02 0.00 0.00 176.35 176.69 1bld n LEU 92 N 3.47 0.00 -3.97 1.79 -0.00 -0.85 -4.47 117.00 112.97 1bld n LEU 92 Ca -0.09 -0.55 -0.09 0.00 -0.00 0.00 0.00 56.01 55.28 1bld n LEU 92 Cb 0.52 0.45 -0.11 0.00 -0.00 0.00 0.00 43.42 44.28 1bld n LEU 92 CO 0.42 -0.12 -0.31 0.00 -0.00 0.00 0.00 177.39 177.38 1bld s ALA 93 N -1.89 0.06 0.01 1.47 0.00 -1.24 -1.07 121.76 119.11 1bld s ALA 93 Ca 0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1bld s ALA 93 Cb -0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1bld s ALA 93 CO 0.04 -0.20 0.15 0.45 0.00 0.00 0.00 175.76 176.20 1bld s SER 94 N -1.65 0.03 0.46 0.00 0.15 -1.00 -4.72 113.70 106.97 1bld s SER 94 Ca -0.13 -0.26 0.17 0.00 0.70 0.00 0.00 55.95 56.44 1bld s SER 94 Cb -0.07 0.23 1.10 0.00 -1.71 0.00 0.00 66.02 65.57 1bld s SER 94 CO -0.02 -0.42 2.01 0.11 1.20 0.00 0.00 173.24 176.12 1bld h LYS 95 N 4.04 0.00 -5.59 5.44 1.57 -1.89 0.52 116.57 120.66 1bld h LYS 95 Ca -0.31 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.88 1bld h LYS 95 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.40 1bld h LYS 95 CO 0.43 0.17 -0.14 -1.12 -0.57 0.00 0.00 179.45 178.22 1bld s SER 96 N -6.82 6.57 0.30 0.86 0.01 -1.26 -4.67 113.70 108.70 1bld s SER 96 Ca -0.04 0.68 -0.03 0.00 1.31 0.00 0.00 55.95 57.87 1bld s SER 96 Cb 0.15 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 1bld s SER 96 CO 0.67 -0.06 0.55 0.54 0.41 0.00 0.00 173.24 175.36 1bld s VAL 97 N 1.04 5.05 0.00 3.43 0.11 -1.26 -4.81 120.40 123.96 1bld s VAL 97 Ca 0.23 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1bld s VAL 97 Cb -0.15 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1bld s VAL 97 CO 0.09 -0.39 0.00 0.35 -3.33 0.00 0.00 175.10 171.82 1bld n THR 98 N -1.19 0.00 0.30 5.04 -2.24 -1.26 -5.01 114.28 109.93 1bld n THR 98 Ca -0.03 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 1bld n THR 98 Cb 0.54 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.55 1bld n THR 98 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1bld h ASP 99 N 0.00 0.00 -1.33 3.42 2.03 -2.02 -3.15 116.42 115.38 1bld h ASP 99 Ca 0.00 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.66 1bld h ASP 99 Cb 0.00 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.32 1bld h ASP 99 CO 0.00 0.00 1.17 -0.62 -1.03 0.00 0.00 179.24 178.76 1bld n GLU 100 N -3.00 3.43 0.00 4.15 4.71 -1.26 -4.00 120.64 124.68 1bld n GLU 100 Ca -0.00 -3.07 0.00 0.00 -0.01 0.00 0.00 57.16 54.08 1bld n GLU 100 Cb 0.25 -2.34 0.00 0.00 -1.01 0.00 0.00 31.44 28.33 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bld s PHE 102 N 0.00 3.49 -0.26 0.00 0.08 -1.26 -4.44 117.98 115.59 1bld s PHE 102 Ca 0.00 0.45 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 1bld s PHE 102 Cb 0.00 -1.96 0.14 0.00 -0.57 0.00 0.00 43.02 40.63 1bld s PHE 102 CO 0.00 0.22 0.35 -0.06 -0.10 0.00 0.00 175.22 175.63 1bld s PHE 103 N -2.10 -0.73 -0.43 0.36 0.08 -1.19 -3.76 117.98 110.21 1bld s PHE 103 Ca 0.41 0.43 -0.27 0.00 0.12 0.00 0.00 56.93 57.61 1bld s PHE 103 Cb -0.10 -0.17 -0.07 0.00 -0.57 0.00 0.00 43.02 42.10 1bld s PHE 103 CO 0.32 -0.81 2.36 1.19 -0.10 0.00 0.00 175.22 178.18 1bld n PHE 104 N 5.35 1.55 -2.83 0.36 3.72 0.27 -4.08 117.46 121.80 1bld n PHE 104 Ca -0.02 0.07 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 1bld n PHE 104 Cb 0.49 -2.65 -0.03 0.00 -0.94 0.00 0.00 39.48 36.35 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 7.65 3.38 -0.15 -1.08 2.12 -1.17 -1.51 118.70 127.94 1bld s GLU 105 Ca 1.02 -1.21 -0.20 0.00 0.36 0.00 0.00 54.97 54.93 1bld s GLU 105 Cb -0.32 -4.66 -0.03 0.00 0.26 0.00 0.00 34.13 29.38 1bld s GLU 105 CO 0.31 -1.87 0.58 0.50 -0.54 0.00 0.00 175.26 174.24 1bld s ARG 106 N 3.73 4.29 -0.04 4.30 3.52 -0.64 -4.88 118.95 129.23 1bld s ARG 106 Ca 0.30 0.58 -0.21 0.00 -0.13 0.00 0.00 55.73 56.27 1bld s ARG 106 Cb -0.09 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1bld s ARG 106 CO -0.00 -0.04 0.62 -1.17 -0.81 0.00 0.00 175.30 173.90 1bld s LEU 107 N 1.25 4.36 0.00 -0.88 2.96 -1.26 -1.50 118.68 123.61 1bld s LEU 107 Ca 0.29 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1bld s LEU 107 Cb -0.16 -2.96 0.13 0.00 0.50 0.00 0.00 46.19 43.70 1bld s LEU 107 CO 0.12 -0.00 0.89 -0.62 -1.32 0.00 0.00 176.35 175.42 1bld n GLU 108 N 3.28 0.05 0.02 1.98 1.02 -0.85 -4.99 120.64 121.14 1bld n GLU 108 Ca -0.05 -2.56 0.12 0.00 -0.02 0.00 0.00 57.16 54.66 1bld n GLU 108 Cb 0.51 -0.55 0.24 0.00 -0.02 0.00 0.00 31.44 31.62 1bld n GLU 108 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1bld n SER 109 N -2.84 0.52 -1.53 1.62 3.41 -1.26 -3.81 113.62 109.73 1bld n SER 109 Ca 0.15 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 1bld n SER 109 Cb 0.54 0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.80 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bld n ASN 110 N -1.67 3.35 0.00 4.04 3.02 -1.26 -4.80 115.26 117.94 1bld n ASN 110 Ca 0.05 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1bld n ASN 110 Cb 0.37 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bld n ASN 111 N -0.21 0.00 -4.73 6.41 3.02 -1.25 -4.90 115.26 113.60 1bld n ASN 111 Ca 0.27 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.45 1bld n ASN 111 Cb 1.01 -2.38 -0.07 0.00 -0.61 0.00 0.00 39.78 37.74 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bld s TYR 112 N -1.06 3.47 0.56 3.10 2.02 -1.26 -4.89 117.35 119.28 1bld s TYR 112 Ca 0.00 0.64 0.01 0.00 -0.37 0.00 0.00 57.07 57.35 1bld s TYR 112 Cb 0.00 -2.37 0.03 0.00 -0.40 0.00 0.00 41.96 39.22 1bld s TYR 112 CO 0.00 0.23 0.79 -0.80 -1.57 0.00 0.00 175.55 174.19 1bld s ASN 113 N 0.48 5.25 -0.07 2.29 -0.87 -0.77 -2.01 114.94 119.25 1bld s ASN 113 Ca 0.18 0.01 -0.03 0.00 -1.57 0.00 0.00 52.86 51.45 1bld s ASN 113 Cb -0.13 -0.88 0.04 0.00 -0.02 0.00 0.00 41.25 40.26 1bld s ASN 113 CO 0.05 -1.16 0.13 0.42 -2.57 0.00 0.00 177.10 173.96 1bld s THR 114 N -2.78 -0.21 -0.64 1.60 -4.23 -0.56 -1.94 115.64 106.88 1bld s THR 114 Ca 0.57 0.37 -0.20 0.00 -1.18 0.00 0.00 61.69 61.26 1bld s THR 114 Cb -0.10 -0.25 0.10 0.00 1.34 0.00 0.00 72.50 73.59 1bld s THR 114 CO 0.39 0.15 0.79 -0.31 -0.54 0.00 0.00 174.62 175.10 1bld s TYR 115 N 2.21 2.96 0.09 3.99 2.02 -1.26 -1.62 117.35 125.74 1bld s TYR 115 Ca 0.03 -0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 1bld s TYR 115 Cb -0.12 -4.09 -0.06 0.00 -0.40 0.00 0.00 41.96 37.29 1bld s TYR 115 CO -0.05 -1.38 0.43 0.50 -1.57 0.00 0.00 175.55 173.48 1bld s ARG 116 N 2.90 3.80 0.64 -0.62 3.52 -0.57 -2.44 118.95 126.18 1bld s ARG 116 Ca 0.15 0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.83 1bld s ARG 116 Cb -0.21 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1bld s ARG 116 CO 0.06 0.54 1.08 0.45 -0.81 0.00 0.00 175.30 176.62 1bld s SER 117 N -1.76 5.37 0.00 -2.12 0.15 -1.03 -0.57 113.70 113.74 1bld s SER 117 Ca 0.34 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.87 1bld s SER 117 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1bld s SER 117 CO 0.18 -1.45 0.00 -1.14 1.20 0.00 0.00 173.24 172.03 1bld n ARG 118 N -2.38 0.00 0.00 5.44 0.63 -1.25 -2.83 116.66 116.27 1bld n ARG 118 Ca 0.09 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1bld n ARG 118 Cb 0.52 -0.37 0.00 0.00 0.45 0.00 0.00 32.46 33.06 1bld n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bld n LYS 119 N -1.56 0.00 -3.18 -0.14 4.81 -1.26 -1.71 118.16 115.11 1bld n LYS 119 Ca 0.00 0.29 -0.18 0.00 -0.87 0.00 0.00 58.31 57.54 1bld n LYS 119 Cb 0.00 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.31 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bld n TYR 120 N -1.28 0.06 0.10 5.64 4.01 -1.26 -4.91 117.16 119.52 1bld n TYR 120 Ca 0.00 -3.76 0.01 0.00 -0.16 0.00 0.00 57.90 53.99 1bld n TYR 120 Cb 0.21 -0.37 0.05 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.38 0.00 0.70 -0.72 -2.24 -0.69 -1.32 114.28 110.38 1bld n THR 121 Ca 0.24 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.08 1bld n THR 121 Cb 0.65 -0.96 0.18 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.98 2.20 -3.68 3.42 7.64 -1.26 -4.85 113.62 116.11 1bld n SER 122 Ca 0.01 -2.03 -0.14 0.00 1.01 0.00 0.00 58.87 57.72 1bld n SER 122 Cb 0.01 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.51 -0.56 0.42 1.43 0.51 -0.44 -4.86 118.94 113.94 1bld s TRP 123 Ca 0.26 1.28 0.08 0.00 -2.12 0.00 0.00 56.10 55.61 1bld s TRP 123 Cb 0.14 0.22 -0.01 0.00 -0.81 0.00 0.00 33.47 33.01 1bld s TRP 123 CO 0.17 -0.34 0.42 0.71 -0.51 0.00 0.00 176.95 177.40 1bld s TYR 124 N -0.07 2.71 -1.26 -1.98 1.51 -1.26 -2.48 117.35 114.52 1bld s TYR 124 Ca -0.03 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.47 1bld s TYR 124 Cb -0.03 -2.21 0.18 0.00 -0.11 0.00 0.00 41.96 39.79 1bld s TYR 124 CO 0.02 -0.19 1.84 0.28 -1.11 0.00 0.00 175.55 176.39 1bld n VAL 125 N -1.61 4.47 -3.55 0.71 0.31 -1.02 -4.78 118.33 112.86 1bld n VAL 125 Ca 0.04 -4.58 -0.37 0.00 -0.01 0.00 0.00 64.34 59.43 1bld n VAL 125 Cb 0.61 -2.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.16 1bld n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bld s ALA 126 N -0.02 3.72 0.67 3.52 0.00 -1.26 -4.88 121.76 123.50 1bld s ALA 126 Ca 0.39 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1bld s ALA 126 Cb 0.09 -2.32 0.12 0.00 0.00 0.00 0.00 23.12 21.01 1bld s ALA 126 CO 0.02 0.52 0.93 -0.51 0.00 0.00 0.00 175.76 176.71 1bld s LEU 127 N -1.33 2.98 0.00 0.00 1.43 -1.26 -3.35 118.68 117.15 1bld s LEU 127 Ca 0.26 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1bld s LEU 127 Cb -0.15 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1bld s LEU 127 CO 0.14 -1.71 0.17 0.29 0.23 0.00 0.00 176.35 175.47 1bld n LYS 128 N -2.61 0.51 0.01 1.70 5.02 0.53 -4.49 118.16 118.83 1bld n LYS 128 Ca 0.17 -0.47 0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1bld n LYS 128 Cb 0.61 -0.11 0.08 0.00 -0.02 0.00 0.00 35.03 35.59 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 -1.32 0.11 -0.07 1.97 1.85 -1.26 -3.82 116.66 114.12 1bld n ARG 129 Ca 0.03 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.00 1bld n ARG 129 Cb 0.10 -1.54 0.31 0.00 -1.05 0.00 0.00 32.46 30.28 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 -1.68 0.18 -0.33 8.89 5.66 -1.26 -4.89 114.28 120.85 1bld n THR 130 Ca 0.04 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1bld n THR 130 Cb 0.37 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 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 1.29 0.67 3.95 1.09 0.00 -1.25 -5.00 105.19 105.94 1bld n GLY 131 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.67 2.20 -0.25 1.61 -0.21 -1.26 -0.38 119.66 120.70 1bld s GLN 132 Ca 0.00 -0.52 -0.20 0.00 0.02 0.00 0.00 55.36 54.66 1bld s GLN 132 Cb 0.00 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 1bld s GLN 132 CO 0.00 -1.13 0.63 1.52 -2.12 0.00 0.00 175.29 174.19 1bld s TYR 133 N -3.10 3.29 0.30 0.91 1.13 -1.26 -0.34 117.35 118.27 1bld s TYR 133 Ca 0.60 0.83 -0.29 0.00 -1.41 0.00 0.00 57.07 56.80 1bld s TYR 133 Cb -0.10 -2.84 -0.10 0.00 -1.10 0.00 0.00 41.96 37.83 1bld s TYR 133 CO 0.43 -0.31 1.22 0.21 -2.51 0.00 0.00 175.55 174.60 1bld s LYS 134 N 2.43 4.47 -0.10 -3.49 2.20 -1.21 -4.77 119.74 119.27 1bld s LYS 134 Ca 0.26 2.04 -0.39 0.00 -0.36 0.00 0.00 55.97 57.52 1bld s LYS 134 Cb -0.16 -3.13 -0.16 0.00 -1.51 0.00 0.00 37.83 32.87 1bld s LYS 134 CO 0.09 -0.04 1.53 -0.11 -0.36 0.00 0.00 175.35 176.46 1bld n LEU 135 N 1.17 1.94 0.22 5.43 7.94 -1.26 -4.73 117.00 127.71 1bld n LEU 135 Ca 0.00 1.10 0.11 0.00 -1.11 0.00 0.00 56.01 56.11 1bld n LEU 135 Cb 0.43 -1.15 0.58 0.00 0.53 0.00 0.00 43.42 43.81 1bld n LEU 135 CO 0.57 -0.77 0.91 1.23 -1.11 0.00 0.00 177.39 178.22 1bld h GLY 136 N 5.79 0.00 0.99 -3.96 0.00 -1.68 0.50 103.07 104.71 1bld h GLY 136 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1bld h GLY 136 CO 0.87 0.00 -1.04 -1.14 0.00 0.00 0.00 176.54 175.22 1bld n SER 137 N -2.37 0.85 0.01 0.19 3.41 -1.26 -3.79 113.62 110.66 1bld n SER 137 Ca -0.01 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1bld n SER 137 Cb 0.26 0.43 0.22 0.00 -0.26 0.00 0.00 64.21 64.87 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 -2.69 0.06 -1.12 4.33 5.02 0.17 -4.91 118.16 119.02 1bld n LYS 138 Ca -0.01 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1bld n LYS 138 Cb 0.57 -1.53 0.22 0.00 -0.02 0.00 0.00 35.03 34.27 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bld s THR 139 N -3.04 1.74 0.00 -0.18 -4.23 -0.98 -4.99 115.64 103.97 1bld s THR 139 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1bld s THR 139 Cb 0.17 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1bld s THR 139 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1bld n GLY 140 N -1.03 0.17 3.46 3.99 0.00 -1.26 -4.79 105.19 105.72 1bld n GLY 140 Ca 0.10 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.46 -1.31 0.00 1.61 0.04 -1.26 -3.78 135.00 128.85 1bld s PRO 141 Ca 0.00 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1bld s PRO 141 Cb 0.00 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1bld s PRO 141 CO 0.00 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.50 1bld n GLY 142 N 0.90 2.34 3.73 0.56 0.00 -1.26 -4.98 105.19 106.48 1bld n GLY 142 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 4.56 0.00 1.61 -1.52 -1.25 -4.90 119.66 118.17 1bld s GLN 143 Ca 0.00 1.73 0.19 0.00 -1.95 0.00 0.00 55.36 55.33 1bld s GLN 143 Cb 0.00 -3.29 0.98 0.00 -0.22 0.00 0.00 33.01 30.48 1bld s GLN 143 CO 0.00 0.01 1.65 1.63 -0.25 0.00 0.00 175.29 178.33 1bld n LYS 144 N 2.61 1.21 0.00 2.91 5.02 -1.26 -3.80 118.16 124.85 1bld n LYS 144 Ca 0.04 -0.31 0.01 0.00 -2.02 0.00 0.00 58.31 56.02 1bld n LYS 144 Cb 0.46 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.47 1.38 1.01 7.82 0.00 -1.26 -0.36 120.51 128.64 1bld n ALA 145 Ca 0.14 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1bld n ALA 145 Cb 0.14 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.19 0.00 -2.63 0.00 -5.35 -1.25 -4.37 119.36 104.56 1bld n ILE 146 Ca 0.01 -0.01 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 1bld n ILE 146 Cb 0.01 0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 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 -2.96 3.75 0.30 7.28 1.43 0.51 -4.23 118.68 124.76 1bld s LEU 147 Ca 0.11 -1.40 -0.02 0.00 -1.03 0.00 0.00 54.13 51.79 1bld s LEU 147 Cb 0.17 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1bld s LEU 147 CO 0.74 -1.48 0.52 -0.36 0.23 0.00 0.00 176.35 176.01 1bld s PHE 148 N 4.66 3.49 -0.42 0.29 0.40 -0.82 -3.01 117.98 122.58 1bld s PHE 148 Ca 0.42 0.45 0.07 0.00 -0.60 0.00 0.00 56.93 57.26 1bld s PHE 148 Cb -0.02 -1.96 0.23 0.00 0.51 0.00 0.00 43.02 41.78 1bld s PHE 148 CO -0.06 0.18 0.51 -0.11 0.70 0.00 0.00 175.22 176.44 1bld n LEU 149 N -1.31 0.38 -4.63 -0.37 7.94 -0.78 -1.84 117.00 116.39 1bld n LEU 149 Ca -0.04 -4.70 -0.43 0.00 -1.11 0.00 0.00 56.01 49.74 1bld n LEU 149 Cb 0.55 0.50 -0.03 0.00 0.53 0.00 0.00 43.42 44.97 1bld n LEU 149 CO 0.49 2.03 1.69 -2.84 -1.11 0.00 0.00 177.39 177.64 1bld s PRO 150 N -1.07 3.65 -0.17 1.96 0.02 -1.26 -3.64 135.00 134.50 1bld s PRO 150 Ca 0.35 2.25 -0.12 0.00 0.02 0.00 0.00 61.00 63.49 1bld s PRO 150 Cb 0.14 -4.24 -0.05 0.00 0.02 0.00 0.00 34.50 30.37 1bld s PRO 150 CO -0.12 -1.51 0.24 -1.64 -0.33 0.00 0.00 177.00 173.64 1bld s MET 151 N 5.34 4.20 0.42 5.54 -1.94 -0.93 -4.89 119.30 127.04 1bld s MET 151 Ca 0.92 -0.00 -0.25 0.00 -1.71 0.00 0.00 55.69 54.65 1bld s MET 151 Cb -0.36 -3.41 -0.08 0.00 2.01 0.00 0.00 34.83 32.98 1bld s MET 151 CO 0.37 0.28 1.22 0.45 -0.01 0.00 0.00 175.02 177.34 1bld s SER 152 N 0.36 6.30 -0.65 3.03 0.15 -1.26 -2.33 113.70 119.30 1bld s SER 152 Ca 0.14 2.45 -0.06 0.00 0.70 0.00 0.00 55.95 59.18 1bld s SER 152 Cb -0.12 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.50 1bld s SER 152 CO 0.02 -0.84 3.04 0.00 1.20 0.00 0.00 173.24 176.66 1bld n ALA 153 N -0.10 6.69 -0.74 5.45 0.00 -1.25 -4.61 120.51 125.94 1bld n ALA 153 Ca 0.05 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1bld n ALA 153 Cb 0.46 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 2.04 0.00 0.00 0.00 4.76 -1.26 -4.98 118.16 118.72 1bld n LYS 154 Ca 0.54 0.13 0.14 0.00 -2.87 0.00 0.00 58.31 56.25 1bld n LYS 154 Cb 0.57 -0.62 0.55 0.00 -1.84 0.00 0.00 35.03 33.69 1bld n LYS 154 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48