#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 3.63 0.00 3.04 0.00 -1.26 -5.08 121.76 122.09 1bld s ALA 2 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1bld s ALA 2 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1bld s ALA 2 CO 0.00 0.52 0.00 0.39 0.00 0.00 0.00 175.76 176.67 1bld n GLU 3 N 0.53 0.48 -0.89 0.00 -0.58 -1.26 -5.02 120.64 113.90 1bld n GLU 3 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1bld n GLU 3 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 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 4.56 -4.08 0.17 0.62 0.00 -1.26 -4.87 105.19 100.32 1bld n GLY 4 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 1bld n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bld h GLU 5 N 1.32 -0.40 -6.75 1.61 4.22 -1.95 -3.43 114.58 109.20 1bld h GLU 5 Ca 0.00 0.03 -0.50 0.00 0.08 0.00 0.00 59.36 58.97 1bld h GLU 5 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1bld h GLU 5 CO 0.00 -0.26 0.39 0.42 -2.18 0.00 0.00 179.01 177.37 1bld s ILE 6 N -3.52 3.92 0.97 2.32 1.09 -1.26 -5.00 121.20 119.72 1bld s ILE 6 Ca -0.06 1.91 -0.13 0.00 -1.10 0.00 0.00 60.65 61.27 1bld s ILE 6 Cb 0.01 -4.22 0.04 0.00 -1.06 0.00 0.00 42.46 37.22 1bld s ILE 6 CO 0.18 0.45 0.33 0.35 -0.10 0.00 0.00 174.94 176.15 1bld n THR 7 N 1.49 0.00 0.03 2.92 -2.24 -1.26 -4.94 114.28 110.28 1bld n THR 7 Ca -0.01 -0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1bld n THR 7 Cb 0.46 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 1bld n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bld h THR 8 N -1.59 0.00 -3.42 4.28 1.03 -1.94 -3.50 112.91 107.78 1bld h THR 8 Ca -0.44 -0.84 0.24 0.00 -0.01 0.00 0.00 66.41 65.37 1bld h THR 8 Cb 1.29 0.00 -0.14 0.00 -1.07 0.00 0.00 68.15 68.23 1bld h THR 8 CO 0.34 0.00 -1.12 0.18 -0.01 0.00 0.00 175.52 174.91 1bld n LEU 9 N -4.79 -1.10 -4.27 0.00 4.32 -1.26 -4.84 117.00 105.05 1bld n LEU 9 Ca -0.02 2.34 -0.28 0.00 -0.02 0.00 0.00 56.01 58.02 1bld n LEU 9 Cb 0.07 -2.99 0.25 0.00 -1.62 0.00 0.00 43.42 39.12 1bld n LEU 9 CO 0.05 -1.68 0.20 -2.65 -1.22 0.00 0.00 177.39 172.10 1bld n PRO 10 N -3.86 -3.27 -0.69 3.23 -0.01 -1.26 -5.02 135.00 124.12 1bld n PRO 10 Ca -0.07 -0.95 -0.07 0.00 -0.01 0.00 0.00 63.50 62.40 1bld n PRO 10 Cb 0.59 -1.90 0.04 0.00 -0.01 0.00 0.00 33.50 32.23 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld n ALA 11 N -5.16 -0.23 -3.37 3.55 0.00 -1.26 -4.64 120.51 109.39 1bld n ALA 11 Ca 0.07 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 1bld n ALA 11 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1bld n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bld n LEU 12 N 0.00 -4.73 -4.42 0.00 0.00 -1.26 -4.95 117.00 101.65 1bld n LEU 12 Ca 0.04 -0.48 -0.30 0.00 0.00 0.00 0.00 56.01 55.27 1bld n LEU 12 Cb 0.14 -2.64 0.27 0.00 0.00 0.00 0.00 43.42 41.19 1bld n LEU 12 CO 0.10 -0.44 0.49 -2.16 0.00 0.00 0.00 177.39 175.38 1bld s PRO 13 N -3.95 -2.18 -1.37 1.96 0.05 -1.26 -3.94 135.00 124.31 1bld s PRO 13 Ca 0.05 0.14 -0.04 0.00 0.05 0.00 0.00 61.00 61.19 1bld s PRO 13 Cb -0.01 -1.46 0.00 0.00 0.05 0.00 0.00 34.50 33.07 1bld s PRO 13 CO 0.81 -4.39 0.45 -1.91 0.05 0.00 0.00 177.00 172.01 1bld n GLU 14 N -5.28 -2.71 -2.13 4.56 0.00 -1.26 -4.78 120.64 109.04 1bld n GLU 14 Ca 0.12 0.37 -0.34 0.00 0.00 0.00 0.00 57.16 57.31 1bld n GLU 14 Cb 0.59 -4.31 -0.04 0.00 0.00 0.00 0.00 31.44 27.68 1bld n GLU 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1bld s ASP 15 N -4.22 5.40 -0.35 4.31 1.11 -1.25 -4.60 116.67 117.07 1bld s ASP 15 Ca 0.09 -0.32 0.05 0.00 0.18 0.00 0.00 52.55 52.55 1bld s ASP 15 Cb -0.04 -2.55 0.30 0.00 1.07 0.00 0.00 42.92 41.71 1bld s ASP 15 CO 0.90 -2.41 1.31 0.61 1.18 0.00 0.00 175.17 176.75 1bld n GLY 16 N 6.27 -0.87 1.39 0.21 0.00 -1.26 -5.14 105.19 105.79 1bld n GLY 16 Ca 0.28 0.55 0.16 0.00 0.00 0.00 0.00 46.02 47.02 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 0.31 -2.97 0.00 -0.02 0.00 -1.26 -5.04 105.19 96.21 1bld n GLY 17 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.29 0.00 0.00 1.61 3.41 -1.26 -5.08 113.62 108.01 1bld n SER 18 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1bld n SER 18 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.00 -3.41 2.62 5.00 0.00 -1.26 -4.57 105.19 103.56 1bld n GLY 19 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld s ALA 20 N -2.78 -0.52 -0.83 4.61 0.00 -1.26 -4.99 121.76 115.99 1bld s ALA 20 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1bld s ALA 20 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.94 1bld s ALA 20 CO 0.00 -2.12 0.54 1.97 0.00 0.00 0.00 175.76 176.15 1bld n PHE 21 N 3.04 -1.53 -0.76 0.00 -1.74 -1.26 -4.88 117.46 110.32 1bld n PHE 21 Ca 0.22 0.47 -0.29 0.00 -0.56 0.00 0.00 57.45 57.30 1bld n PHE 21 Cb 0.52 -2.36 0.22 0.00 1.52 0.00 0.00 39.48 39.38 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 -5.49 -0.26 -0.44 3.97 0.05 -1.26 -4.81 135.00 126.76 1bld s PRO 22 Ca 0.15 0.82 -0.27 0.00 0.05 0.00 0.00 61.00 61.75 1bld s PRO 22 Cb -0.08 -1.63 -0.07 0.00 0.05 0.00 0.00 34.50 32.76 1bld s PRO 22 CO 0.80 -3.28 2.37 -0.35 0.05 0.00 0.00 177.00 176.60 1bld n PRO 23 N -4.60 1.23 0.00 0.56 -0.04 -1.26 -4.10 135.00 126.79 1bld n PRO 23 Ca 0.05 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1bld n PRO 23 Cb 0.55 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 6.00 0.00 0.34 0.55 0.00 -1.26 -5.04 105.19 105.78 1bld n GLY 24 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1bld n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bld n HIS 25 N 0.00 0.00 -1.46 1.61 8.25 -1.26 -4.90 115.22 117.46 1bld n HIS 25 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1bld n HIS 25 Cb 0.00 0.17 0.19 0.00 1.12 0.00 0.00 29.99 31.47 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1bld n PHE 26 N 0.00 0.00 0.39 4.41 3.72 -1.26 -4.65 117.46 120.07 1bld n PHE 26 Ca 0.00 -1.36 0.08 0.00 -0.05 0.00 0.00 57.45 56.12 1bld n PHE 26 Cb 0.53 -0.22 0.22 0.00 -0.94 0.00 0.00 39.48 39.06 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bld n LYS 27 N -1.20 2.24 -3.73 -1.08 4.76 -1.26 -4.79 118.16 113.11 1bld n LYS 27 Ca 0.18 -1.78 -0.14 0.00 -2.87 0.00 0.00 58.31 53.70 1bld n LYS 27 Cb 0.68 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.36 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bld s ASP 28 N -0.96 -0.26 0.93 4.39 1.11 -1.26 -5.12 116.67 115.50 1bld s ASP 28 Ca 0.33 0.18 -0.11 0.00 0.18 0.00 0.00 52.55 53.13 1bld s ASP 28 Cb 0.18 0.35 0.11 0.00 1.07 0.00 0.00 42.92 44.62 1bld s ASP 28 CO 0.21 -0.47 0.86 -2.65 1.18 0.00 0.00 175.17 174.30 1bld n PRO 29 N 1.23 -0.42 -4.63 8.23 -0.01 -1.26 -4.66 135.00 133.47 1bld n PRO 29 Ca -0.21 -0.07 -0.29 0.00 -0.01 0.00 0.00 63.50 62.93 1bld n PRO 29 Cb 0.56 -2.18 -0.09 0.00 -0.01 0.00 0.00 33.50 31.78 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 -4.25 2.00 -0.17 -0.52 -0.14 -0.66 -2.80 119.74 113.19 1bld s LYS 30 Ca 0.63 -2.20 -0.04 0.00 -1.36 0.00 0.00 55.97 53.01 1bld s LYS 30 Cb -0.22 -1.35 0.06 0.00 -1.68 0.00 0.00 37.83 34.63 1bld s LYS 30 CO 0.62 -0.24 0.05 1.03 -0.76 0.00 0.00 175.35 176.05 1bld s ARG 31 N -3.80 0.40 -0.67 1.68 0.52 -0.99 -3.34 118.95 112.75 1bld s ARG 31 Ca 0.23 -0.24 -0.25 0.00 -0.52 0.00 0.00 55.73 54.95 1bld s ARG 31 Cb 0.06 -1.89 0.05 0.00 0.52 0.00 0.00 34.95 33.68 1bld s ARG 31 CO 0.12 -0.62 1.10 -0.51 0.02 0.00 0.00 175.30 175.40 1bld s LEU 32 N 1.98 3.80 -0.34 2.53 1.43 -1.26 -1.13 118.68 125.69 1bld s LEU 32 Ca 0.01 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1bld s LEU 32 Cb -0.16 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1bld s LEU 32 CO -0.08 -1.57 0.44 -0.47 0.23 0.00 0.00 176.35 174.90 1bld s TYR 33 N 4.77 3.20 -0.43 0.29 5.04 -1.20 -2.07 117.35 126.95 1bld s TYR 33 Ca 0.30 0.13 -0.29 0.00 -2.44 0.00 0.00 57.07 54.77 1bld s TYR 33 Cb -0.12 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.43 1bld s TYR 33 CO 0.14 -0.46 1.19 0.00 -1.34 0.00 0.00 175.55 175.08 1bld h LYS 35 N 9.30 0.00 -5.47 0.00 3.11 -1.86 -2.11 116.57 119.54 1bld h LYS 35 Ca -0.24 0.00 -0.63 0.00 -2.81 0.00 0.00 60.65 56.98 1bld h LYS 35 Cb 1.07 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.16 1bld h LYS 35 CO 1.10 0.00 0.52 -0.80 -2.81 0.00 0.00 179.45 177.47 1bld s ASN 36 N -5.42 6.20 0.00 4.20 0.01 -1.26 -3.68 114.94 114.99 1bld s ASN 36 Ca -0.02 -0.91 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1bld s ASN 36 Cb 0.11 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1bld s ASN 36 CO 0.47 -1.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.28 1bld n GLY 37 N 5.30 0.76 3.21 0.66 0.00 -1.26 -4.50 105.19 109.35 1bld n GLY 37 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.30 -0.69 2.88 -0.02 0.00 -0.84 -5.00 105.19 99.22 1bld n GLY 38 Ca 0.00 0.76 -0.14 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.55 -0.09 -0.24 1.61 0.08 -0.95 -4.61 117.98 112.24 1bld s PHE 39 Ca 0.20 0.33 -0.18 0.00 0.12 0.00 0.00 56.93 57.41 1bld s PHE 39 Cb -0.03 -0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 1bld s PHE 39 CO 0.60 -0.13 0.49 -0.06 -0.10 0.00 0.00 175.22 176.02 1bld s PHE 40 N 1.00 3.31 0.46 0.36 0.40 -0.80 -0.18 117.98 122.54 1bld s PHE 40 Ca -0.08 0.66 -0.23 0.00 -0.60 0.00 0.00 56.93 56.68 1bld s PHE 40 Cb -0.11 -2.67 -0.09 0.00 0.51 0.00 0.00 43.02 40.66 1bld s PHE 40 CO -0.04 -0.19 0.97 -0.11 0.70 0.00 0.00 175.22 176.55 1bld n LEU 41 N 5.17 2.70 -3.80 -0.37 7.94 -0.88 -1.72 117.00 126.04 1bld n LEU 41 Ca -0.05 0.97 -0.10 0.00 -1.11 0.00 0.00 56.01 55.73 1bld n LEU 41 Cb 0.50 -1.35 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1bld n LEU 41 CO 0.40 -1.65 -0.03 -0.60 -1.11 0.00 0.00 177.39 174.41 1bld s ARG 42 N -2.16 0.87 -0.06 1.96 3.52 -0.32 -4.63 118.95 118.13 1bld s ARG 42 Ca 0.66 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1bld s ARG 42 Cb -0.52 0.37 0.03 0.00 -1.56 0.00 0.00 34.95 33.26 1bld s ARG 42 CO 0.55 -0.29 0.00 0.42 -0.81 0.00 0.00 175.30 175.17 1bld s ILE 43 N -3.58 0.31 0.27 4.11 1.01 -1.26 -2.49 121.20 119.57 1bld s ILE 43 Ca 0.02 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 1bld s ILE 43 Cb 0.03 -0.44 -0.08 0.00 0.01 0.00 0.00 42.46 41.98 1bld s ILE 43 CO -0.10 0.22 0.65 -1.00 0.00 0.00 0.00 174.94 174.71 1bld s HIS 44 N 1.65 3.41 0.62 3.97 3.76 -0.70 -4.73 115.29 123.27 1bld s HIS 44 Ca -0.00 1.06 0.33 0.00 -0.15 0.00 0.00 55.06 56.30 1bld s HIS 44 Cb -0.13 -2.41 1.87 0.00 1.11 0.00 0.00 32.58 33.02 1bld s HIS 44 CO -0.03 0.19 2.18 -1.00 -0.85 0.00 0.00 174.74 175.22 1bld h PRO 45 N 2.45 0.00 0.00 8.40 0.13 -1.88 0.56 132.00 141.66 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bld h PRO 45 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1bld n ASP 46 N -3.56 0.00 0.00 1.44 5.75 -1.26 -4.83 116.55 114.09 1bld n ASP 46 Ca -0.01 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 1bld n ASP 46 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bld n GLY 47 N 0.37 2.62 3.39 6.12 0.00 0.19 -5.02 105.19 112.86 1bld n GLY 47 Ca 0.11 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 0.26 -4.02 1.61 1.74 -1.26 -3.64 116.66 111.35 1bld n ARG 48 Ca 0.00 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.07 1bld n ARG 48 Cb 0.00 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 29.73 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 -1.90 0.26 0.00 1.55 1.01 -1.26 -1.71 120.40 118.35 1bld s VAL 49 Ca 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1bld s VAL 49 Cb -0.38 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1bld s VAL 49 CO 0.61 -0.15 0.00 -0.90 0.00 0.00 0.00 175.10 174.66 1bld n ASP 50 N 2.39 0.98 -3.92 3.32 5.75 -1.04 -4.66 116.55 119.37 1bld n ASP 50 Ca -0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.52 1bld n ASP 50 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.24 -0.10 6.12 0.00 -1.26 -1.18 107.32 111.14 1bld s GLY 51 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 1bld s GLY 51 CO 0.00 -0.90 0.26 -1.34 0.00 0.00 0.00 173.10 171.12 1bld s VAL 52 N -3.89 -0.01 -2.05 1.40 -7.23 -0.70 -4.84 120.40 103.08 1bld s VAL 52 Ca 0.08 0.02 0.16 0.00 -1.81 0.00 0.00 61.98 60.43 1bld s VAL 52 Cb 0.05 -0.37 0.42 0.00 0.56 0.00 0.00 36.38 37.04 1bld s VAL 52 CO -0.08 0.01 1.55 0.54 -0.31 0.00 0.00 175.10 176.80 1bld n ARG 53 N 3.15 1.17 -2.72 4.82 1.74 -1.26 -1.91 116.66 121.66 1bld n ARG 53 Ca -0.15 -0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.24 1bld n ARG 53 Cb 0.57 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 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 -1.94 3.44 -0.13 5.56 0.41 -1.26 -4.88 118.70 119.91 1bld s GLU 54 Ca 0.24 0.03 -0.00 0.00 -0.41 0.00 0.00 54.97 54.83 1bld s GLU 54 Cb 0.12 -4.02 0.10 0.00 -1.78 0.00 0.00 34.13 28.55 1bld s GLU 54 CO 0.19 -1.53 1.88 0.36 -0.49 0.00 0.00 175.26 175.67 1bld n LYS 55 N 7.84 1.32 -0.38 1.61 2.85 -1.26 -3.39 118.16 126.75 1bld n LYS 55 Ca 0.05 -0.65 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 1bld n LYS 55 Cb 0.48 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 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 0.89 0.00 -4.47 -5.58 3.41 -1.26 -4.14 113.62 102.47 1bld n SER 56 Ca 0.13 -1.68 -0.43 0.00 -0.26 0.00 0.00 58.87 56.63 1bld n SER 56 Cb 0.56 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.68 6.13 0.00 4.04 1.01 -1.22 -4.91 116.67 121.05 1bld s ASP 57 Ca 0.00 -0.83 0.02 0.00 0.71 0.00 0.00 52.55 52.45 1bld s ASP 57 Cb 0.00 -2.18 0.10 0.00 1.01 0.00 0.00 42.92 41.85 1bld s ASP 57 CO 0.00 -0.48 0.52 -2.65 0.21 0.00 0.00 175.17 172.77 1bld n PRO 58 N 5.27 0.06 0.07 8.23 -0.02 -1.26 -1.36 135.00 146.00 1bld n PRO 58 Ca -0.10 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1bld n PRO 58 Cb 0.47 -1.42 0.45 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.92 0.63 1.58 6.00 8.25 -1.26 -2.91 115.22 126.58 1bld n HIS 59 Ca 0.01 0.18 0.14 0.00 -0.26 0.00 0.00 57.72 57.80 1bld n HIS 59 Cb 0.01 -0.79 0.62 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.02 0.00 -2.32 1.59 -5.35 -0.46 -4.12 119.36 106.67 1bld n ILE 60 Ca 0.06 -0.16 -0.35 0.00 -0.27 0.00 0.00 62.75 62.03 1bld n ILE 60 Cb 0.40 0.20 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.10 3.15 -0.07 6.28 -0.14 -1.15 -4.67 119.74 121.04 1bld s LYS 61 Ca 0.38 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.84 1bld s LYS 61 Cb 0.21 -5.27 -0.04 0.00 -1.68 0.00 0.00 37.83 31.05 1bld s LYS 61 CO 0.37 -2.84 0.55 -0.51 -0.76 0.00 0.00 175.35 172.17 1bld s LEU 62 N 7.40 4.33 -0.58 3.17 1.43 -1.21 -2.87 118.68 130.35 1bld s LEU 62 Ca 0.58 0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.46 1bld s LEU 62 Cb -0.02 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.43 1bld s LEU 62 CO -0.02 0.01 0.84 -1.58 0.23 0.00 0.00 176.35 175.84 1bld s GLN 63 N 0.39 3.17 0.31 1.70 0.74 0.14 -1.65 119.66 124.46 1bld s GLN 63 Ca 0.30 -0.75 -0.15 0.00 0.05 0.00 0.00 55.36 54.81 1bld s GLN 63 Cb -0.17 -4.15 -0.09 0.00 1.10 0.00 0.00 33.01 29.70 1bld s GLN 63 CO 0.14 -1.54 0.72 -0.51 -0.55 0.00 0.00 175.29 173.55 1bld s LEU 64 N 3.50 4.09 -0.06 3.68 1.02 -1.26 -1.31 118.68 128.34 1bld s LEU 64 Ca 0.21 1.26 -0.05 0.00 0.02 0.00 0.00 54.13 55.57 1bld s LEU 64 Cb -0.17 -4.02 0.02 0.00 0.02 0.00 0.00 46.19 42.04 1bld s LEU 64 CO 0.13 -0.18 0.14 -1.10 0.02 0.00 0.00 176.35 175.36 1bld s GLN 65 N -2.91 0.16 -0.42 1.70 -0.21 -0.21 -4.81 119.66 112.97 1bld s GLN 65 Ca 0.53 0.22 -0.23 0.00 0.02 0.00 0.00 55.36 55.90 1bld s GLN 65 Cb -0.11 0.06 0.02 0.00 1.00 0.00 0.00 33.01 33.98 1bld s GLN 65 CO 0.18 -0.03 0.76 0.00 -2.12 0.00 0.00 175.29 174.07 1bld s ALA 66 N 0.18 3.35 0.00 6.09 0.00 -1.26 -0.06 121.76 130.05 1bld s ALA 66 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1bld s ALA 66 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1bld s ALA 66 CO -0.00 -1.73 0.00 0.39 0.00 0.00 0.00 175.76 174.42 1bld n GLU 67 N 6.53 0.00 -2.18 0.00 -0.58 -0.94 -4.95 120.64 118.52 1bld n GLU 67 Ca 0.02 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.48 1bld n GLU 67 Cb 0.48 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.53 1bld n GLU 67 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1bld s GLU 68 N 0.10 0.72 -0.42 3.49 2.02 -1.23 -4.96 118.70 118.43 1bld s GLU 68 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 1bld s GLU 68 Cb 0.00 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 32.25 1bld s GLU 68 CO 0.00 -2.26 1.32 1.03 0.02 0.00 0.00 175.26 175.37 1bld s ARG 69 N -5.70 3.66 0.00 1.61 0.52 -1.26 -2.84 118.95 114.95 1bld s ARG 69 Ca 0.74 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1bld s ARG 69 Cb -0.03 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.47 1bld s ARG 69 CO 0.51 -1.46 0.00 0.41 0.02 0.00 0.00 175.30 174.78 1bld n GLY 70 N 4.91 0.95 2.69 -3.53 0.00 -1.26 -5.04 105.19 103.91 1bld n GLY 70 Ca 0.15 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.28 -0.17 1.61 1.01 -1.13 -4.49 120.40 114.94 1bld s VAL 71 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1bld s VAL 71 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1bld s VAL 71 CO 0.00 -0.59 0.45 0.68 0.00 0.00 0.00 175.10 175.64 1bld s VAL 72 N 1.97 5.17 -0.16 2.92 -7.23 -1.26 -2.23 120.40 119.59 1bld s VAL 72 Ca 0.12 0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 60.98 1bld s VAL 72 Cb -0.15 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 1bld s VAL 72 CO -0.23 0.26 0.38 -0.44 -0.31 0.00 0.00 175.10 174.76 1bld s SER 73 N 0.92 6.52 0.14 4.85 0.01 0.91 -3.99 113.70 123.05 1bld s SER 73 Ca 0.23 0.61 -0.10 0.00 1.31 0.00 0.00 55.95 58.00 1bld s SER 73 Cb -0.15 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 1bld s SER 73 CO 0.09 0.03 0.46 -0.63 0.41 0.00 0.00 173.24 173.60 1bld s ILE 74 N 0.70 5.02 -0.14 1.44 1.01 -1.26 -1.04 121.20 126.93 1bld s ILE 74 Ca 0.20 0.48 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1bld s ILE 74 Cb -0.14 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.74 1bld s ILE 74 CO 0.07 0.16 0.24 -0.75 0.00 0.00 0.00 174.94 174.66 1bld s LYS 75 N -2.23 0.14 0.33 2.79 2.36 -0.43 -3.97 119.74 118.73 1bld s LYS 75 Ca 0.38 0.60 -0.29 0.00 -2.55 0.00 0.00 55.97 54.11 1bld s LYS 75 Cb -0.13 -0.33 -0.11 0.00 -1.05 0.00 0.00 37.83 36.20 1bld s LYS 75 CO 0.20 -0.38 1.53 0.20 1.55 0.00 0.00 175.35 178.45 1bld s GLY 76 N 2.38 2.52 0.00 5.54 0.00 0.26 0.28 107.32 118.31 1bld s GLY 76 Ca 0.03 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1bld s GLY 76 CO -0.09 2.39 0.00 -0.62 0.00 0.00 0.00 173.10 174.78 1bld n VAL 77 N 1.37 0.00 -0.09 1.40 0.31 -1.14 -1.73 118.33 118.45 1bld n VAL 77 Ca 0.05 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.43 1bld n VAL 77 Cb 0.38 -0.00 0.40 0.00 -0.91 0.00 0.00 33.84 33.71 1bld n VAL 77 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bld h SER 78 N 0.00 0.55 0.91 4.52 0.02 -1.84 0.14 113.55 117.85 1bld h SER 78 Ca 0.00 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1bld h SER 78 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1bld h SER 78 CO 0.00 0.38 -0.37 0.00 -1.14 0.00 0.00 176.83 175.69 1bld h ALA 79 N 1.67 0.97 -6.24 3.77 0.00 -1.85 -3.47 119.26 114.11 1bld h ALA 79 Ca 0.24 -0.34 -0.44 0.00 0.00 0.00 0.00 54.91 54.36 1bld h ALA 79 Cb 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1bld h ALA 79 CO -0.06 0.47 -0.88 0.09 0.00 0.00 0.00 179.25 178.86 1bld n ASN 80 N -3.49 -2.02 -3.79 0.00 3.02 0.04 -4.85 115.26 104.17 1bld n ASN 80 Ca -0.00 -0.93 -0.13 0.00 -0.03 0.00 0.00 54.58 53.50 1bld n ASN 80 Cb 0.52 -3.59 -0.11 0.00 -0.61 0.00 0.00 39.78 36.00 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 -6.12 0.41 -0.15 3.52 0.52 -1.22 -4.58 118.95 111.33 1bld s ARG 81 Ca 0.13 0.16 -0.20 0.00 -0.52 0.00 0.00 55.73 55.30 1bld s ARG 81 Cb -0.04 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 1bld s ARG 81 CO 0.85 -0.08 0.58 0.71 0.02 0.00 0.00 175.30 177.38 1bld s TYR 82 N -0.35 3.45 0.58 -0.53 1.51 0.17 -0.57 117.35 121.61 1bld s TYR 82 Ca -0.05 0.95 -0.21 0.00 -1.01 0.00 0.00 57.07 56.76 1bld s TYR 82 Cb -0.03 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 1bld s TYR 82 CO 0.01 -0.01 1.34 -0.11 -1.11 0.00 0.00 175.55 175.68 1bld n LEU 83 N 4.35 5.74 -4.09 -1.29 7.94 -1.25 -2.39 117.00 126.01 1bld n LEU 83 Ca -0.04 0.93 -0.10 0.00 -1.11 0.00 0.00 56.01 55.69 1bld n LEU 83 Cb 0.51 -1.57 -0.07 0.00 0.53 0.00 0.00 43.42 42.81 1bld n LEU 83 CO 0.44 -0.70 -0.01 0.00 -1.11 0.00 0.00 177.39 176.01 1bld s ALA 84 N -1.32 0.40 -0.02 1.96 0.00 0.43 -4.41 121.76 118.80 1bld s ALA 84 Ca 0.75 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1bld s ALA 84 Cb -0.40 1.21 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1bld s ALA 84 CO 0.46 -0.74 0.03 1.41 0.00 0.00 0.00 175.76 176.93 1bld s MET 85 N -4.07 -0.04 0.00 0.00 1.75 -1.13 -2.45 119.30 113.35 1bld s MET 85 Ca 0.30 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.95 1bld s MET 85 Cb 0.03 -0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.42 1bld s MET 85 CO 0.11 -0.19 0.00 1.63 -0.65 0.00 0.00 175.02 175.92 1bld n LYS 86 N 4.31 -0.68 0.05 4.11 4.76 -0.86 -4.93 118.16 124.93 1bld n LYS 86 Ca -0.25 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.30 1bld n LYS 86 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1bld n LYS 86 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1bld n GLU 87 N -1.34 0.47 0.06 1.97 0.28 -1.26 -4.19 120.64 116.62 1bld n GLU 87 Ca 0.00 0.03 -0.23 0.00 -0.16 0.00 0.00 57.16 56.80 1bld n GLU 87 Cb 0.00 -1.68 -0.15 0.00 1.43 0.00 0.00 31.44 31.04 1bld n GLU 87 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1bld h ASP 88 N 0.00 0.57 0.00 -1.84 3.04 -2.00 -3.48 116.42 112.71 1bld h ASP 88 Ca 0.00 -0.92 0.00 0.00 -3.24 0.00 0.00 57.03 52.87 1bld h ASP 88 Cb 0.87 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1bld h ASP 88 CO 0.00 1.75 0.00 0.61 -2.04 0.00 0.00 179.24 179.56 1bld n GLY 89 N 1.84 -0.02 3.69 7.15 0.00 -1.26 -4.59 105.19 112.00 1bld n GLY 89 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 4.30 -0.02 1.61 0.52 -1.26 -3.20 118.95 120.90 1bld s ARG 90 Ca 0.00 1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 57.03 1bld s ARG 90 Cb 0.00 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 1bld s ARG 90 CO 0.00 -0.53 0.42 -0.51 0.02 0.00 0.00 175.30 174.70 1bld s LEU 91 N 2.08 4.45 0.00 2.53 1.02 -1.26 -2.02 118.68 125.47 1bld s LEU 91 Ca 0.64 0.94 -0.02 0.00 0.02 0.00 0.00 54.13 55.71 1bld s LEU 91 Cb -0.32 -2.60 0.01 0.00 0.02 0.00 0.00 46.19 43.29 1bld s LEU 91 CO 0.27 0.28 0.36 0.00 0.02 0.00 0.00 176.35 177.28 1bld n LEU 92 N 2.09 0.00 -3.97 1.79 -0.00 -1.03 -4.66 117.00 111.22 1bld n LEU 92 Ca -0.13 -1.92 -0.08 0.00 -0.00 0.00 0.00 56.01 53.87 1bld n LEU 92 Cb 0.52 1.84 -0.09 0.00 -0.00 0.00 0.00 43.42 45.69 1bld n LEU 92 CO 0.38 -0.46 -0.25 0.00 -0.00 0.00 0.00 177.39 177.06 1bld s ALA 93 N -2.31 0.10 0.22 1.47 0.00 -1.24 -0.43 121.76 119.58 1bld s ALA 93 Ca 0.19 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1bld s ALA 93 Cb -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1bld s ALA 93 CO 0.13 -0.36 0.29 -1.12 0.00 0.00 0.00 175.76 174.71 1bld s SER 94 N -2.47 0.06 0.01 0.00 0.01 -1.00 -4.80 113.70 105.50 1bld s SER 94 Ca -0.00 -1.18 -0.19 0.00 1.31 0.00 0.00 55.95 55.89 1bld s SER 94 Cb 0.02 0.48 -0.27 0.00 0.21 0.00 0.00 66.02 66.46 1bld s SER 94 CO -0.07 -0.98 1.05 0.11 0.41 0.00 0.00 173.24 173.75 1bld h LYS 95 N 2.44 0.46 -6.31 12.44 1.79 -1.89 0.49 116.57 126.00 1bld h LYS 95 Ca -0.31 -0.60 -0.56 0.00 -2.18 0.00 0.00 60.65 57.00 1bld h LYS 95 Cb 1.25 0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 32.05 1bld h LYS 95 CO 0.45 1.24 -0.05 -1.54 -1.08 0.00 0.00 179.45 178.47 1bld s SER 96 N -7.04 6.94 -0.31 0.86 1.04 -1.26 -4.46 113.70 109.47 1bld s SER 96 Ca -0.12 1.19 -0.25 0.00 0.48 0.00 0.00 55.95 57.25 1bld s SER 96 Cb 0.03 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1bld s SER 96 CO 0.86 0.17 0.85 0.54 0.98 0.00 0.00 173.24 176.64 1bld s VAL 97 N -1.33 4.73 0.66 5.02 0.11 -1.26 -4.74 120.40 123.59 1bld s VAL 97 Ca 0.35 1.30 0.05 0.00 -2.93 0.00 0.00 61.98 60.74 1bld s VAL 97 Cb -0.17 -4.20 0.11 0.00 -1.53 0.00 0.00 36.38 30.59 1bld s VAL 97 CO 0.19 -0.30 0.91 0.42 -3.33 0.00 0.00 175.10 172.99 1bld s THR 98 N 3.10 2.09 0.48 5.04 -4.23 -1.26 -4.96 115.64 115.90 1bld s THR 98 Ca 0.35 -0.80 0.34 0.00 -1.18 0.00 0.00 61.69 60.40 1bld s THR 98 Cb -0.14 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.78 1bld s THR 98 CO 0.13 0.00 2.19 0.44 -0.54 0.00 0.00 174.62 176.84 1bld h ASP 99 N -0.21 0.00 -1.49 3.99 5.19 -2.01 -2.94 116.42 118.95 1bld h ASP 99 Ca -0.32 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.41 1bld h ASP 99 Cb 1.28 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.59 1bld h ASP 99 CO 0.39 0.04 1.22 -0.62 -3.12 0.00 0.00 179.24 177.16 1bld n GLU 100 N -3.44 3.65 0.00 3.56 4.71 -1.26 -4.08 120.64 123.79 1bld n GLU 100 Ca -0.02 -3.32 0.00 0.00 -0.01 0.00 0.00 57.16 53.81 1bld n GLU 100 Cb 0.17 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 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 -0.01 3.48 -0.14 0.00 0.08 -1.26 -4.42 117.98 115.71 1bld s PHE 102 Ca 0.00 0.51 -0.05 0.00 0.12 0.00 0.00 56.93 57.51 1bld s PHE 102 Cb 0.00 -1.98 0.07 0.00 -0.57 0.00 0.00 43.02 40.53 1bld s PHE 102 CO 0.00 0.33 0.29 -0.06 -0.10 0.00 0.00 175.22 175.68 1bld s PHE 103 N -1.87 -0.49 0.76 0.36 0.40 -1.26 -3.90 117.98 111.98 1bld s PHE 103 Ca 0.41 1.07 -0.15 0.00 -0.60 0.00 0.00 56.93 57.67 1bld s PHE 103 Cb -0.11 0.03 0.05 0.00 0.51 0.00 0.00 43.02 43.50 1bld s PHE 103 CO 0.28 -0.38 1.22 1.19 0.70 0.00 0.00 175.22 178.23 1bld n PHE 104 N 5.34 1.42 -3.87 0.36 3.72 -0.31 -4.08 117.46 120.05 1bld n PHE 104 Ca -0.07 0.41 -0.30 0.00 -0.05 0.00 0.00 57.45 57.44 1bld n PHE 104 Cb 0.50 -2.15 -0.15 0.00 -0.94 0.00 0.00 39.48 36.74 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 -3.88 1.27 -0.32 -1.08 2.12 -1.26 -1.91 118.70 113.65 1bld s GLU 105 Ca 0.76 -1.74 -0.21 0.00 0.36 0.00 0.00 54.97 54.15 1bld s GLU 105 Cb -0.32 -2.70 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 1bld s GLU 105 CO 0.48 -1.01 0.65 0.50 -0.54 0.00 0.00 175.26 175.34 1bld s ARG 106 N 0.90 3.86 -0.40 4.30 6.06 -0.18 -4.88 118.95 128.60 1bld s ARG 106 Ca 0.12 0.28 -0.21 0.00 -2.50 0.00 0.00 55.73 53.42 1bld s ARG 106 Cb -0.20 -3.75 0.01 0.00 0.06 0.00 0.00 34.95 31.08 1bld s ARG 106 CO -0.11 -0.62 0.66 -1.17 -2.50 0.00 0.00 175.30 171.55 1bld s LEU 107 N 2.68 4.35 0.67 -0.88 2.96 -1.26 -0.51 118.68 126.68 1bld s LEU 107 Ca 0.26 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1bld s LEU 107 Cb -0.15 -2.79 0.04 0.00 0.50 0.00 0.00 46.19 43.80 1bld s LEU 107 CO 0.13 -0.71 0.99 -1.61 -1.32 0.00 0.00 176.35 173.83 1bld s GLU 108 N 2.83 2.49 -1.49 1.98 0.41 -1.16 -4.94 118.70 118.82 1bld s GLU 108 Ca 0.24 -0.08 -0.12 0.00 -0.41 0.00 0.00 54.97 54.60 1bld s GLU 108 Cb -0.14 -2.18 0.02 0.00 -1.78 0.00 0.00 34.13 30.05 1bld s GLU 108 CO 0.17 -1.06 2.43 0.45 -0.49 0.00 0.00 175.26 176.77 1bld n SER 109 N -2.84 5.73 -0.52 -0.19 2.88 -1.26 -3.76 113.62 113.66 1bld n SER 109 Ca 0.07 -2.80 -0.02 0.00 -1.33 0.00 0.00 58.87 54.79 1bld n SER 109 Cb 0.59 -1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.44 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1bld n ASN 110 N 4.86 -0.26 0.00 -3.46 2.04 -1.26 -4.95 115.26 112.22 1bld n ASN 110 Ca 0.60 -0.89 0.00 0.00 -0.44 0.00 0.00 54.58 53.85 1bld n ASN 110 Cb 0.33 0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1bld n ASN 111 N 0.00 0.00 -4.60 0.53 5.03 -1.25 -4.90 115.26 110.07 1bld n ASN 111 Ca -0.07 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 54.99 1bld n ASN 111 Cb 0.40 -1.48 -0.10 0.00 -1.02 0.00 0.00 39.78 37.59 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1bld s TYR 112 N -1.40 3.23 0.55 3.10 2.02 -1.26 -4.81 117.35 118.78 1bld s TYR 112 Ca 0.00 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1bld s TYR 112 Cb 0.00 -2.45 0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1bld s TYR 112 CO 0.00 -0.18 0.78 -0.80 -1.57 0.00 0.00 175.55 173.78 1bld s ASN 113 N 1.70 5.26 -0.08 2.29 -0.87 -1.09 -2.97 114.94 119.19 1bld s ASN 113 Ca 0.10 -0.02 -0.01 0.00 -1.57 0.00 0.00 52.86 51.37 1bld s ASN 113 Cb -0.16 -0.86 0.03 0.00 -0.02 0.00 0.00 41.25 40.24 1bld s ASN 113 CO 0.10 -1.15 -0.02 0.42 -2.57 0.00 0.00 177.10 173.88 1bld s THR 114 N -2.77 0.54 -0.51 1.60 -4.23 0.33 -2.96 115.64 107.64 1bld s THR 114 Ca 0.57 -0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.89 1bld s THR 114 Cb -0.10 -0.64 0.06 0.00 1.34 0.00 0.00 72.50 73.16 1bld s THR 114 CO 0.38 0.28 0.63 -0.31 -0.54 0.00 0.00 174.62 175.06 1bld s TYR 115 N 1.74 3.05 0.10 3.99 2.02 -1.26 -1.02 117.35 125.97 1bld s TYR 115 Ca 0.02 -0.59 -0.08 0.00 -0.37 0.00 0.00 57.07 56.06 1bld s TYR 115 Cb -0.13 -3.57 -0.06 0.00 -0.40 0.00 0.00 41.96 37.81 1bld s TYR 115 CO -0.05 -1.05 0.39 0.50 -1.57 0.00 0.00 175.55 173.77 1bld s ARG 116 N 2.60 3.69 0.67 -0.62 3.52 -0.80 -2.42 118.95 125.60 1bld s ARG 116 Ca 0.14 0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.68 1bld s ARG 116 Cb -0.20 -2.93 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1bld s ARG 116 CO 0.11 0.52 1.06 0.45 -0.81 0.00 0.00 175.30 176.64 1bld s SER 117 N -2.03 5.39 0.00 -2.12 0.15 -1.06 -1.16 113.70 112.88 1bld s SER 117 Ca 0.36 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1bld s SER 117 Cb -0.13 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1bld s SER 117 CO 0.20 -1.43 0.00 -1.14 1.20 0.00 0.00 173.24 172.07 1bld n ARG 118 N -2.82 0.00 0.00 5.44 0.63 -1.25 -2.96 116.66 115.70 1bld n ARG 118 Ca 0.08 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1bld n ARG 118 Cb 0.53 -0.38 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 -1.69 0.00 -3.12 -0.14 3.00 -1.26 -1.94 118.16 113.01 1bld n LYS 119 Ca 0.00 0.28 -0.18 0.00 -0.00 0.00 0.00 58.31 58.41 1bld n LYS 119 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.29 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bld n TYR 120 N -1.28 -0.47 0.33 5.64 4.01 -1.26 -4.92 117.16 119.20 1bld n TYR 120 Ca 0.00 -3.47 0.02 0.00 -0.16 0.00 0.00 57.90 54.29 1bld n TYR 120 Cb 0.21 -0.10 0.11 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.72 0.00 0.54 -0.72 -2.24 -0.82 -1.71 114.28 110.06 1bld n THR 121 Ca 0.21 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1bld n THR 121 Cb 0.62 -0.78 0.19 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.86 2.49 -3.66 3.42 7.64 -1.26 -4.85 113.62 116.53 1bld n SER 122 Ca 0.03 -2.10 -0.15 0.00 1.01 0.00 0.00 58.87 57.66 1bld n SER 122 Cb 0.01 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.55 -0.51 0.39 1.43 0.51 -0.69 -4.94 118.94 113.57 1bld s TRP 123 Ca 0.28 1.07 0.08 0.00 -2.12 0.00 0.00 56.10 55.40 1bld s TRP 123 Cb 0.16 0.23 -0.04 0.00 -0.81 0.00 0.00 33.47 33.02 1bld s TRP 123 CO 0.17 -0.40 0.25 0.71 -0.51 0.00 0.00 176.95 177.17 1bld s TYR 124 N -0.53 2.70 -0.11 -1.98 1.51 -1.26 -2.56 117.35 115.12 1bld s TYR 124 Ca -0.06 -0.47 -0.17 0.00 -1.01 0.00 0.00 57.07 55.36 1bld s TYR 124 Cb -0.03 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.84 1bld s TYR 124 CO 0.04 0.12 0.43 0.08 -1.11 0.00 0.00 175.55 175.11 1bld s VAL 125 N -2.48 5.19 0.09 0.71 1.01 -1.02 -4.84 120.40 119.07 1bld s VAL 125 Ca 0.43 0.85 -0.00 0.00 0.00 0.00 0.00 61.98 63.26 1bld s VAL 125 Cb -0.01 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1bld s VAL 125 CO 0.25 0.37 0.13 0.00 0.00 0.00 0.00 175.10 175.85 1bld n ALA 126 N 3.39 -0.08 -2.93 5.51 0.00 -1.26 -4.60 120.51 120.54 1bld n ALA 126 Ca -0.09 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 1bld n ALA 126 Cb 0.52 0.35 -0.11 0.00 0.00 0.00 0.00 19.45 20.20 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 2.24 0.00 0.00 1.43 -1.26 -4.11 118.68 116.98 1bld s LEU 127 Ca 0.08 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1bld s LEU 127 Cb -0.00 -0.00 0.00 0.00 0.03 0.00 0.00 46.19 46.22 1bld s LEU 127 CO 0.06 -0.26 0.00 0.29 0.23 0.00 0.00 176.35 176.67 1bld n LYS 128 N 1.58 0.00 0.00 1.70 4.76 0.86 -4.64 118.16 122.41 1bld n LYS 128 Ca -0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1bld n LYS 128 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1bld n ARG 129 N 0.00 0.00 -0.61 1.97 1.85 -1.26 -4.93 116.66 113.68 1bld n ARG 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1bld n ARG 129 Cb 0.00 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 31.64 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 -0.20 1.88 -1.36 8.89 5.66 -1.26 -4.81 114.28 123.09 1bld n THR 130 Ca 0.00 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 60.05 1bld n THR 130 Cb 0.00 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 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 0.20 0.94 3.14 1.09 0.00 -1.26 -5.09 105.19 104.21 1bld n GLY 131 Ca 0.22 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.68 0.76 -0.26 1.61 -1.52 -1.26 -4.57 119.66 111.75 1bld s GLN 132 Ca 0.00 -1.24 -0.15 0.00 -1.95 0.00 0.00 55.36 52.01 1bld s GLN 132 Cb 0.00 -0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.59 1bld s GLN 132 CO 0.00 -0.02 0.40 1.52 -0.25 0.00 0.00 175.29 176.94 1bld s TYR 133 N -3.37 3.26 0.22 0.91 1.13 -1.26 -0.10 117.35 118.13 1bld s TYR 133 Ca 0.08 0.47 -0.30 0.00 -1.41 0.00 0.00 57.07 55.91 1bld s TYR 133 Cb 0.04 -2.59 -0.09 0.00 -1.10 0.00 0.00 41.96 38.22 1bld s TYR 133 CO -0.05 -0.22 1.29 0.21 -2.51 0.00 0.00 175.55 174.28 1bld s LYS 134 N 2.04 4.40 0.85 -3.49 2.20 -1.26 -4.73 119.74 119.76 1bld s LYS 134 Ca 0.16 2.05 -0.13 0.00 -0.36 0.00 0.00 55.97 57.70 1bld s LYS 134 Cb -0.16 -3.18 0.08 0.00 -1.51 0.00 0.00 37.83 33.06 1bld s LYS 134 CO 0.10 -0.21 1.01 -0.11 -0.36 0.00 0.00 175.35 175.78 1bld n LEU 135 N 2.37 3.16 -0.61 5.43 7.94 -1.26 -4.79 117.00 129.24 1bld n LEU 135 Ca 0.05 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1bld n LEU 135 Cb 0.43 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 42.95 1bld n LEU 135 CO 0.58 -2.22 0.30 0.61 -1.11 0.00 0.00 177.39 175.54 1bld n GLY 136 N 0.71 1.56 0.08 -3.96 0.00 -1.20 -3.76 105.19 98.63 1bld n GLY 136 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.12 1.78 0.00 1.61 3.41 -1.26 -4.39 113.62 114.90 1bld n SER 137 Ca 0.00 0.35 0.09 0.00 -0.26 0.00 0.00 58.87 59.05 1bld n SER 137 Cb 0.30 -0.74 0.42 0.00 -0.26 0.00 0.00 64.21 63.92 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 -4.34 0.15 -2.28 4.33 5.02 -1.25 -4.76 118.16 115.03 1bld n LYS 138 Ca -0.12 0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1bld n LYS 138 Cb 0.45 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.75 3.16 0.00 -0.18 -4.23 -1.25 -4.98 115.64 105.41 1bld s THR 139 Ca 0.13 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1bld s THR 139 Cb 0.12 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1bld s THR 139 CO 0.29 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1bld n GLY 140 N 0.39 -0.98 3.41 3.99 0.00 -1.26 -4.71 105.19 106.04 1bld n GLY 140 Ca 0.08 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -2.00 -1.76 0.00 1.61 0.02 -1.26 -3.28 135.00 128.33 1bld s PRO 141 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.62 1bld s PRO 141 Cb 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 33.04 1bld s PRO 141 CO 0.00 -4.22 0.00 0.41 -0.33 0.00 0.00 177.00 172.86 1bld n GLY 142 N 1.11 1.12 3.74 0.52 0.00 -1.26 -4.94 105.19 105.47 1bld n GLY 142 Ca 0.05 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.48 0.00 1.61 -0.21 -1.21 -4.90 119.66 119.43 1bld s GLN 143 Ca 0.00 1.89 0.29 0.00 0.02 0.00 0.00 55.36 57.55 1bld s GLN 143 Cb 0.00 -3.24 1.22 0.00 1.00 0.00 0.00 33.01 31.99 1bld s GLN 143 CO 0.00 -0.11 1.85 1.63 -2.12 0.00 0.00 175.29 176.54 1bld n LYS 144 N 2.61 0.79 0.00 2.91 5.02 -1.26 -3.73 118.16 124.49 1bld n LYS 144 Ca 0.05 -0.29 0.01 0.00 -2.02 0.00 0.00 58.31 56.06 1bld n LYS 144 Cb 0.45 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.86 1.41 1.03 7.82 0.00 -1.26 -0.38 120.51 128.27 1bld n ALA 145 Ca 0.15 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1bld n ALA 145 Cb 0.28 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.64 0.00 -5.35 -1.24 -4.10 119.36 104.84 1bld n ILE 146 Ca 0.01 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 1bld n ILE 146 Cb 0.01 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 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 3.72 0.27 7.28 1.43 0.49 -4.44 118.68 125.11 1bld s LEU 147 Ca 0.22 -1.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.17 1bld s LEU 147 Cb 0.19 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1bld s LEU 147 CO 0.48 -1.53 0.41 -0.36 0.23 0.00 0.00 176.35 175.57 1bld s PHE 148 N 4.77 3.39 -0.49 0.29 0.40 -1.16 -3.20 117.98 121.97 1bld s PHE 148 Ca 0.38 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.76 1bld s PHE 148 Cb -0.05 -1.70 0.20 0.00 0.51 0.00 0.00 43.02 41.99 1bld s PHE 148 CO -0.01 0.31 0.48 -0.11 0.70 0.00 0.00 175.22 176.59 1bld n LEU 149 N -1.51 0.98 -4.61 -0.37 7.94 -0.75 -2.67 117.00 116.01 1bld n LEU 149 Ca -0.07 -4.78 -0.43 0.00 -1.11 0.00 0.00 56.01 49.63 1bld n LEU 149 Cb 0.57 0.15 -0.03 0.00 0.53 0.00 0.00 43.42 44.64 1bld n LEU 149 CO 0.45 1.93 1.78 -2.84 -1.11 0.00 0.00 177.39 177.60 1bld s PRO 150 N -0.95 3.26 -0.35 1.96 0.02 -1.26 -3.26 135.00 134.42 1bld s PRO 150 Ca 0.33 2.00 -0.16 0.00 0.02 0.00 0.00 61.00 63.20 1bld s PRO 150 Cb 0.08 -4.33 -0.01 0.00 0.02 0.00 0.00 34.50 30.26 1bld s PRO 150 CO -0.14 -1.96 0.40 -1.64 -0.33 0.00 0.00 177.00 173.33 1bld s MET 151 N 6.07 3.55 0.08 5.54 -1.94 -0.28 -4.84 119.30 127.49 1bld s MET 151 Ca 0.96 -0.38 -0.31 0.00 -1.71 0.00 0.00 55.69 54.26 1bld s MET 151 Cb -0.32 -3.81 -0.07 0.00 2.01 0.00 0.00 34.83 32.63 1bld s MET 151 CO 0.35 -0.56 1.36 0.45 -0.01 0.00 0.00 175.02 176.61 1bld s SER 152 N 1.74 6.87 -1.01 3.03 0.15 -1.26 -2.36 113.70 120.86 1bld s SER 152 Ca 0.13 2.24 -0.06 0.00 0.70 0.00 0.00 55.95 58.95 1bld s SER 152 Cb -0.16 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1bld s SER 152 CO 0.12 -0.64 2.82 0.00 1.20 0.00 0.00 173.24 176.75 1bld n ALA 153 N 4.22 6.88 -0.39 5.45 0.00 -1.12 -4.69 120.51 130.86 1bld n ALA 153 Ca 0.11 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1bld n ALA 153 Cb 0.43 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 2.17 0.00 0.00 0.00 5.02 -1.26 -4.83 118.16 119.26 1bld n LYS 154 Ca 0.61 0.31 0.02 0.00 -2.02 0.00 0.00 58.31 57.23 1bld n LYS 154 Cb 0.41 -1.14 0.14 0.00 -0.02 0.00 0.00 35.03 34.43 1bld n LYS 154 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33