#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 -3.42 -1.60 3.17 0.00 -1.26 -4.87 120.51 112.54 1bld n ALA 2 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1bld n ALA 2 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.60 0.00 -1.28 0.00 -0.58 -1.26 -5.07 120.64 108.86 1bld n GLU 3 Ca -0.01 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.90 1bld n GLU 3 Cb 0.64 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.45 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 3.98 -2.37 0.11 0.62 0.00 -1.26 -4.51 105.19 101.75 1bld n GLY 4 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1bld n GLY 4 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bld h GLU 5 N -1.22 0.24 -4.32 1.61 4.39 -1.80 -3.43 114.58 110.06 1bld h GLU 5 Ca -0.05 -0.22 -0.23 0.00 0.34 0.00 0.00 59.36 59.20 1bld h GLU 5 Cb 1.19 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.77 1bld h GLU 5 CO 0.03 0.90 -0.41 0.96 -1.16 0.00 0.00 179.01 179.33 1bld s ILE 6 N -3.39 0.00 1.33 3.13 -4.36 -1.26 -5.11 121.20 111.53 1bld s ILE 6 Ca -0.15 -1.79 -0.18 0.00 -0.26 0.00 0.00 60.65 58.27 1bld s ILE 6 Cb 0.02 -2.45 0.34 0.00 1.25 0.00 0.00 42.46 41.62 1bld s ILE 6 CO 0.75 0.00 0.91 0.35 0.24 0.00 0.00 174.94 177.20 1bld n THR 7 N -0.39 0.00 -2.98 8.37 -2.24 -1.26 -4.42 114.28 111.36 1bld n THR 7 Ca 0.02 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.52 1bld n THR 7 Cb 0.64 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.88 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bld n THR 8 N -5.40 -5.65 -0.02 4.28 -1.04 -1.26 -4.90 114.28 100.29 1bld n THR 8 Ca 0.07 1.02 -0.15 0.00 -2.04 0.00 0.00 64.05 62.94 1bld n THR 8 Cb 0.57 -4.32 -0.11 0.00 -1.82 0.00 0.00 70.33 64.64 1bld n THR 8 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1bld h LEU 9 N 3.80 0.26 -8.41 -4.42 -0.00 -2.01 -3.41 115.31 101.13 1bld h LEU 9 Ca -0.07 -0.76 -0.38 0.00 -0.00 0.00 0.00 57.88 56.67 1bld h LEU 9 Cb 0.59 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1bld h LEU 9 CO 0.03 0.99 1.07 -2.16 -0.00 0.00 0.00 178.44 178.37 1bld s PRO 10 N -3.17 2.42 -0.75 1.13 0.05 -1.26 -4.83 135.00 128.59 1bld s PRO 10 Ca -0.15 0.43 0.00 0.00 0.05 0.00 0.00 61.00 61.32 1bld s PRO 10 Cb 0.01 -4.67 0.37 0.00 0.05 0.00 0.00 34.50 30.26 1bld s PRO 10 CO 0.75 -3.19 1.75 0.00 0.05 0.00 0.00 177.00 176.36 1bld n ALA 11 N 14.19 6.07 -1.32 8.56 0.00 -1.26 -5.01 120.51 141.74 1bld n ALA 11 Ca 0.32 -4.23 -0.43 0.00 0.00 0.00 0.00 53.44 49.10 1bld n ALA 11 Cb 0.50 -1.61 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 1bld n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bld n LEU 12 N -0.48 0.39 -4.57 0.00 4.77 -1.26 -4.71 117.00 111.14 1bld n LEU 12 Ca 0.49 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 56.54 1bld n LEU 12 Cb 0.35 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1bld n LEU 12 CO 0.46 -0.68 1.32 -2.16 -1.33 0.00 0.00 177.39 175.01 1bld s PRO 13 N 7.52 2.15 -0.44 3.23 0.04 -1.26 -4.19 135.00 142.05 1bld s PRO 13 Ca 1.21 -0.39 -0.33 0.00 0.04 0.00 0.00 61.00 61.53 1bld s PRO 13 Cb -1.22 -5.04 0.05 0.00 0.04 0.00 0.00 34.50 28.32 1bld s PRO 13 CO 0.50 -4.06 0.64 0.39 0.04 0.00 0.00 177.00 174.50 1bld n GLU 14 N 8.60 -2.03 0.00 4.56 -0.58 -1.26 -4.68 120.64 125.25 1bld n GLU 14 Ca 0.43 1.60 0.02 0.00 -0.42 0.00 0.00 57.16 58.79 1bld n GLU 14 Cb 0.46 -2.94 0.13 0.00 -0.57 0.00 0.00 31.44 28.52 1bld n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1bld n ASP 15 N -0.18 0.00 0.09 1.62 2.03 -1.26 -1.71 116.55 117.14 1bld n ASP 15 Ca -0.03 -0.16 -0.15 0.00 0.52 0.00 0.00 54.79 54.97 1bld n ASP 15 Cb 0.62 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.89 1bld n ASP 15 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1bld h GLY 16 N 0.76 0.26 -5.08 0.27 0.00 -1.96 -3.43 103.07 93.89 1bld h GLY 16 Ca 0.00 -0.66 -0.56 0.00 0.00 0.00 0.00 47.33 46.11 1bld h GLY 16 CO 0.00 0.58 0.90 -0.32 0.00 0.00 0.00 176.54 177.70 1bld s GLY 17 N -4.75 1.71 0.00 4.60 0.00 -0.69 -4.92 107.32 103.28 1bld s GLY 17 Ca -0.05 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1bld s GLY 17 CO 0.87 2.55 0.00 -1.14 0.00 0.00 0.00 173.10 175.38 1bld n SER 18 N 6.36 0.00 0.05 1.64 3.41 -1.26 -5.05 113.62 118.77 1bld n SER 18 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1bld n SER 18 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.42 0.00 5.00 0.00 -1.26 -5.11 105.19 103.40 1bld n GLY 19 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.77 0.45 -3.03 4.61 0.00 -1.26 -5.05 120.51 113.46 1bld n ALA 20 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1bld n ALA 20 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bld n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bld n PHE 21 N -0.87 -1.03 -1.75 0.00 -0.00 -1.26 -4.69 117.46 107.86 1bld n PHE 21 Ca 0.00 -3.15 -0.43 0.00 -0.00 0.00 0.00 57.45 53.87 1bld n PHE 21 Cb 0.00 0.30 -0.03 0.00 -0.00 0.00 0.00 39.48 39.75 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1bld s PRO 22 N -1.22 3.53 -0.62 -7.13 0.04 -1.26 -4.88 135.00 123.46 1bld s PRO 22 Ca 0.34 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 1bld s PRO 22 Cb 0.29 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1bld s PRO 22 CO -0.10 -1.64 2.10 -1.25 0.04 0.00 0.00 177.00 176.16 1bld s PRO 23 N 5.49 2.35 -0.28 0.56 0.04 -1.26 -4.54 135.00 137.35 1bld s PRO 23 Ca 0.90 0.77 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1bld s PRO 23 Cb -0.33 -4.56 0.11 0.00 0.04 0.00 0.00 34.50 29.76 1bld s PRO 23 CO 0.36 -3.13 1.04 0.41 0.04 0.00 0.00 177.00 175.71 1bld n GLY 24 N 6.02 -0.36 2.69 0.56 0.00 -1.26 -5.02 105.19 107.82 1bld n GLY 24 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.51 -1.84 -0.89 1.61 8.25 -1.26 -4.91 115.22 115.67 1bld n HIS 25 Ca -0.20 -1.95 0.00 0.00 -0.26 0.00 0.00 57.72 55.31 1bld n HIS 25 Cb 0.66 1.32 0.00 0.00 1.12 0.00 0.00 29.99 33.10 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 -0.84 0.00 0.02 4.41 3.72 -1.26 -4.82 117.46 118.70 1bld n PHE 26 Ca -0.06 -0.03 -0.17 0.00 -0.05 0.00 0.00 57.45 57.14 1bld n PHE 26 Cb 0.85 -0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.25 1bld n PHE 26 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1bld h LYS 27 N 0.00 0.21 -6.54 -1.08 1.79 -1.91 -3.45 116.57 105.59 1bld h LYS 27 Ca 0.00 -0.35 -0.65 0.00 -2.18 0.00 0.00 60.65 57.47 1bld h LYS 27 Cb 0.72 0.13 -0.16 0.00 -1.58 0.00 0.00 32.23 31.35 1bld h LYS 27 CO 0.00 1.02 -0.75 -0.51 -1.08 0.00 0.00 179.45 178.13 1bld s ASP 28 N -6.82 4.14 1.14 0.86 1.11 -1.26 -5.10 116.67 110.74 1bld s ASP 28 Ca -0.13 -0.56 -0.15 0.00 0.18 0.00 0.00 52.55 51.89 1bld s ASP 28 Cb 0.07 -0.67 0.20 0.00 1.07 0.00 0.00 42.92 43.59 1bld s ASP 28 CO 0.82 0.13 0.60 -2.65 1.18 0.00 0.00 175.17 175.25 1bld n PRO 29 N 0.33 -1.98 -3.95 8.23 -0.01 -1.26 -4.69 135.00 131.67 1bld n PRO 29 Ca -0.12 -0.55 -0.13 0.00 -0.01 0.00 0.00 63.50 62.68 1bld n PRO 29 Cb 0.54 -1.98 -0.14 0.00 -0.01 0.00 0.00 33.50 31.91 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 -4.00 0.12 -0.26 -0.52 1.02 -0.81 -2.26 119.74 113.04 1bld s LYS 30 Ca 0.63 -0.05 -0.19 0.00 0.02 0.00 0.00 55.97 56.39 1bld s LYS 30 Cb -0.20 -0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 1bld s LYS 30 CO 0.65 0.03 0.55 1.03 -0.92 0.00 0.00 175.35 176.69 1bld s ARG 31 N -0.02 4.08 -0.65 1.68 0.52 -0.94 -3.66 118.95 119.98 1bld s ARG 31 Ca 0.00 0.39 -0.25 0.00 -0.52 0.00 0.00 55.73 55.36 1bld s ARG 31 Cb -0.01 -3.65 0.05 0.00 0.52 0.00 0.00 34.95 31.86 1bld s ARG 31 CO -0.00 -0.37 1.07 -0.51 0.02 0.00 0.00 175.30 175.51 1bld s LEU 32 N 2.36 3.88 -0.33 2.53 1.43 -1.26 -2.41 118.68 124.87 1bld s LEU 32 Ca 0.23 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 1bld s LEU 32 Cb -0.16 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1bld s LEU 32 CO 0.09 -1.51 0.42 -0.47 0.23 0.00 0.00 176.35 175.12 1bld s TYR 33 N 4.59 3.20 -0.44 0.29 5.04 -1.25 -2.39 117.35 126.40 1bld s TYR 33 Ca 0.30 0.12 -0.28 0.00 -2.44 0.00 0.00 57.07 54.76 1bld s TYR 33 Cb -0.12 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.46 1bld s TYR 33 CO 0.15 -0.44 1.09 0.00 -1.34 0.00 0.00 175.55 175.01 1bld h LYS 35 N 8.99 0.05 -6.50 0.00 3.64 -1.84 -2.09 116.57 118.82 1bld h LYS 35 Ca -0.23 -0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.60 1bld h LYS 35 Cb 1.06 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 1bld h LYS 35 CO 1.09 0.03 1.03 -0.80 -2.27 0.00 0.00 179.45 178.54 1bld s ASN 36 N -6.89 6.31 0.00 4.20 0.02 -1.26 -3.13 114.94 114.18 1bld s ASN 36 Ca -0.05 0.13 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 1bld s ASN 36 Cb 0.18 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.89 1bld s ASN 36 CO 0.69 -1.60 0.00 0.61 0.02 0.00 0.00 177.10 176.82 1bld n GLY 37 N 5.16 0.77 3.15 0.66 0.00 -1.26 -4.44 105.19 109.22 1bld n GLY 37 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.43 -0.92 2.92 -0.02 0.00 -0.83 -5.00 105.19 98.92 1bld n GLY 38 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.42 -0.11 -0.22 1.61 0.08 -0.93 -4.73 117.98 112.26 1bld s PHE 39 Ca 0.13 0.33 -0.16 0.00 0.12 0.00 0.00 56.93 57.35 1bld s PHE 39 Cb -0.02 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 1bld s PHE 39 CO 0.46 -0.10 0.42 -0.06 -0.10 0.00 0.00 175.22 175.84 1bld s PHE 40 N 0.66 3.34 0.41 0.36 0.40 -0.86 -0.20 117.98 122.09 1bld s PHE 40 Ca -0.05 0.60 -0.26 0.00 -0.60 0.00 0.00 56.93 56.62 1bld s PHE 40 Cb -0.07 -2.56 -0.10 0.00 0.51 0.00 0.00 43.02 40.80 1bld s PHE 40 CO -0.03 -0.08 1.35 -0.11 0.70 0.00 0.00 175.22 177.05 1bld n LEU 41 N 4.74 4.34 -3.62 -0.37 7.94 -1.00 -1.23 117.00 127.80 1bld n LEU 41 Ca -0.08 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 55.83 1bld n LEU 41 Cb 0.51 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.79 1bld n LEU 41 CO 0.40 -0.38 -0.13 -0.60 -1.11 0.00 0.00 177.39 175.57 1bld s ARG 42 N -2.20 0.18 -0.42 1.96 3.52 -0.54 -4.65 118.95 116.79 1bld s ARG 42 Ca 0.59 0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 56.67 1bld s ARG 42 Cb -0.50 -0.20 0.02 0.00 -1.56 0.00 0.00 34.95 32.71 1bld s ARG 42 CO 0.59 -0.36 0.58 0.42 -0.81 0.00 0.00 175.30 175.72 1bld s ILE 43 N 2.43 4.91 0.56 4.11 1.01 -1.26 -2.49 121.20 130.47 1bld s ILE 43 Ca 0.03 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 1bld s ILE 43 Cb -0.13 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1bld s ILE 43 CO -0.10 -0.50 1.09 -1.00 0.00 0.00 0.00 174.94 174.43 1bld s HIS 44 N 2.60 2.79 0.56 3.97 3.76 -0.85 -4.70 115.29 123.42 1bld s HIS 44 Ca 0.20 1.55 0.25 0.00 -0.15 0.00 0.00 55.06 56.90 1bld s HIS 44 Cb -0.15 -3.16 1.50 0.00 1.11 0.00 0.00 32.58 31.88 1bld s HIS 44 CO 0.17 -1.34 2.09 -1.35 -0.85 0.00 0.00 174.74 173.45 1bld h PRO 45 N 0.92 0.00 0.00 8.40 0.10 -1.91 0.30 132.00 139.81 1bld h PRO 45 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1bld h PRO 45 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.34 1bld h PRO 45 CO 0.57 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.27 1bld n ASP 46 N -4.13 0.00 0.00 -2.05 5.68 -1.26 -4.83 116.55 109.95 1bld n ASP 46 Ca 0.03 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1bld n ASP 46 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 0.48 2.83 3.54 6.12 0.00 0.10 -4.94 105.19 113.33 1bld n GLY 47 Ca 0.17 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.08 0.91 -3.50 1.61 5.12 -1.26 -3.60 116.66 115.87 1bld n ARG 48 Ca 0.00 0.30 -0.37 0.00 -1.93 0.00 0.00 57.85 55.85 1bld n ARG 48 Cb 0.00 -2.12 -0.07 0.00 -1.16 0.00 0.00 32.46 29.11 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 5.31 5.29 -0.12 1.55 1.01 -1.26 -2.01 120.40 130.17 1bld s VAL 49 Ca 1.06 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1bld s VAL 49 Cb -1.07 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 31.76 1bld s VAL 49 CO 0.60 0.38 0.91 1.51 0.00 0.00 0.00 175.10 178.50 1bld s ASP 50 N 0.51 -0.44 0.35 3.32 1.47 -1.04 -4.16 116.67 116.68 1bld s ASP 50 Ca 0.18 0.44 -0.01 0.00 1.18 0.00 0.00 52.55 54.33 1bld s ASP 50 Cb -0.13 0.37 -0.04 0.00 -0.34 0.00 0.00 42.92 42.78 1bld s ASP 50 CO 0.05 -0.44 0.58 -0.83 0.68 0.00 0.00 175.17 175.21 1bld s GLY 51 N -1.27 1.46 -0.01 2.12 0.00 0.60 -1.46 107.32 108.76 1bld s GLY 51 Ca -0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.81 1bld s GLY 51 CO 0.03 -0.70 0.19 -1.34 0.00 0.00 0.00 173.10 171.28 1bld s VAL 52 N -2.33 0.07 -1.02 1.40 -7.23 -0.36 -4.55 120.40 106.37 1bld s VAL 52 Ca 0.42 -0.54 0.24 0.00 -1.81 0.00 0.00 61.98 60.29 1bld s VAL 52 Cb -0.10 -0.46 0.21 0.00 0.56 0.00 0.00 36.38 36.59 1bld s VAL 52 CO 0.36 -0.30 1.79 0.54 -0.31 0.00 0.00 175.10 177.18 1bld n ARG 53 N 1.60 0.01 -2.19 4.82 1.74 -1.26 -2.04 116.66 119.35 1bld n ARG 53 Ca -0.21 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.63 1bld n ARG 53 Cb 0.56 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.98 2.85 0.00 5.56 8.01 -1.26 -4.72 118.70 126.16 1bld s GLU 54 Ca 0.12 -0.97 0.13 0.00 0.01 0.00 0.00 54.97 54.26 1bld s GLU 54 Cb 0.16 -5.24 0.75 0.00 -4.31 0.00 0.00 34.13 25.49 1bld s GLU 54 CO 0.44 -3.32 1.18 0.36 0.01 0.00 0.00 175.26 173.94 1bld n LYS 55 N 8.57 0.52 0.07 1.61 2.85 -1.26 -2.06 118.16 128.47 1bld n LYS 55 Ca 0.42 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.79 1bld n LYS 55 Cb 0.47 -1.37 -0.05 0.00 -0.65 0.00 0.00 35.03 33.42 1bld n LYS 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bld n SER 56 N -0.87 0.61 -4.46 -5.58 2.88 -1.26 -3.76 113.62 101.18 1bld n SER 56 Ca 0.09 0.24 -0.52 0.00 -1.33 0.00 0.00 58.87 57.35 1bld n SER 56 Cb 0.04 0.87 -0.07 0.00 -0.75 0.00 0.00 64.21 64.30 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 -2.57 2.07 0.00 -3.46 8.00 -0.87 -4.54 116.55 115.18 1bld n ASP 57 Ca -0.02 0.51 0.01 0.00 0.71 0.00 0.00 54.79 56.01 1bld n ASP 57 Cb 0.58 -1.22 0.08 0.00 -0.02 0.00 0.00 41.12 40.53 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 7.85 0.18 0.03 -0.24 -0.05 -1.26 -1.40 135.00 140.11 1bld n PRO 58 Ca 0.41 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.97 1bld n PRO 58 Cb 0.20 -1.23 0.01 0.00 -0.05 0.00 0.00 33.50 32.43 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 0.27 1.23 0.54 8.25 -1.26 -3.97 115.22 119.55 1bld n HIS 59 Ca 0.02 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1bld n HIS 59 Cb 0.01 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 30.70 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 -1.98 0.00 -2.99 1.59 -5.35 -0.49 -4.46 119.36 105.68 1bld n ILE 60 Ca 0.02 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.05 1bld n ILE 60 Cb 0.44 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.11 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 -2.00 3.70 -0.02 6.28 -0.14 -1.25 -4.55 119.74 121.76 1bld s LYS 61 Ca 0.01 -2.03 -0.19 0.00 -1.36 0.00 0.00 55.97 52.39 1bld s LYS 61 Cb 0.00 -4.87 -0.05 0.00 -1.68 0.00 0.00 37.83 31.23 1bld s LYS 61 CO 0.01 -1.70 0.54 -0.51 -0.76 0.00 0.00 175.35 172.93 1bld s LEU 62 N 2.07 4.40 -0.42 3.17 1.43 -1.24 -3.41 118.68 124.67 1bld s LEU 62 Ca 0.33 1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 1bld s LEU 62 Cb -0.05 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.36 1bld s LEU 62 CO -0.08 0.12 0.51 -1.58 0.23 0.00 0.00 176.35 175.55 1bld s GLN 63 N -0.21 3.18 0.04 1.70 0.74 0.21 -1.92 119.66 123.40 1bld s GLN 63 Ca 0.29 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 55.00 1bld s GLN 63 Cb -0.17 -3.96 -0.05 0.00 1.10 0.00 0.00 33.01 29.93 1bld s GLN 63 CO 0.15 -0.89 0.35 -0.51 -0.55 0.00 0.00 175.29 173.84 1bld s LEU 64 N 2.37 4.36 -0.04 3.68 1.02 -1.26 -1.37 118.68 127.44 1bld s LEU 64 Ca 0.16 0.71 0.03 0.00 0.02 0.00 0.00 54.13 55.04 1bld s LEU 64 Cb -0.16 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.22 1bld s LEU 64 CO 0.15 0.21 -0.12 -1.58 0.02 0.00 0.00 176.35 175.04 1bld s GLN 65 N -1.79 1.34 -0.22 1.70 2.00 0.01 -4.65 119.66 118.04 1bld s GLN 65 Ca 0.30 -0.40 -0.21 0.00 -2.00 0.00 0.00 55.36 53.05 1bld s GLN 65 Cb -0.14 -1.18 -0.02 0.00 0.80 0.00 0.00 33.01 32.47 1bld s GLN 65 CO 0.17 0.12 0.65 0.00 -0.50 0.00 0.00 175.29 175.73 1bld s ALA 66 N 0.28 3.58 0.00 1.58 0.00 -1.26 -0.05 121.76 125.89 1bld s ALA 66 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1bld s ALA 66 Cb -0.11 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1bld s ALA 66 CO 0.02 -0.69 0.00 -1.91 0.00 0.00 0.00 175.76 173.18 1bld n GLU 67 N 5.39 0.00 -3.64 0.00 2.13 -0.98 -4.95 120.64 118.60 1bld n GLU 67 Ca -0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1bld n GLU 67 Cb 0.49 -0.03 -0.05 0.00 0.27 0.00 0.00 31.44 32.13 1bld n GLU 67 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1bld s GLU 68 N 0.00 3.65 -0.90 5.31 2.02 -1.24 -4.94 118.70 122.60 1bld s GLU 68 Ca 0.00 -0.02 -0.24 0.00 0.02 0.00 0.00 54.97 54.73 1bld s GLU 68 Cb 0.00 -2.84 -0.19 0.00 0.10 0.00 0.00 34.13 31.20 1bld s GLU 68 CO 0.00 0.46 2.16 0.54 0.02 0.00 0.00 175.26 178.43 1bld n ARG 69 N 0.13 0.26 0.00 1.61 1.74 -1.26 -0.24 116.66 118.89 1bld n ARG 69 Ca -0.02 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 1bld n ARG 69 Cb 0.52 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.45 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bld n GLY 70 N 6.25 -0.70 2.96 -0.13 0.00 -1.26 -5.14 105.19 107.17 1bld n GLY 70 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.18 -0.02 1.61 1.01 0.67 -4.23 120.40 119.62 1bld s VAL 71 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1bld s VAL 71 Cb 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1bld s VAL 71 CO 0.00 -0.25 0.00 0.68 0.00 0.00 0.00 175.10 175.54 1bld s VAL 72 N -0.82 0.08 -0.18 2.92 -7.23 -1.26 -2.32 120.40 111.60 1bld s VAL 72 Ca -0.08 0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 1bld s VAL 72 Cb -0.06 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 1bld s VAL 72 CO -0.00 0.08 0.38 -0.44 -0.31 0.00 0.00 175.10 174.81 1bld s SER 73 N 0.63 6.46 0.08 4.85 0.01 0.93 -3.51 113.70 123.15 1bld s SER 73 Ca -0.06 0.54 -0.11 0.00 1.31 0.00 0.00 55.95 57.63 1bld s SER 73 Cb -0.08 -2.22 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 1bld s SER 73 CO -0.01 -0.02 0.43 -0.63 0.41 0.00 0.00 173.24 173.41 1bld s ILE 74 N 1.01 5.05 -0.06 1.44 1.01 -1.26 -0.81 121.20 127.58 1bld s ILE 74 Ca 0.19 0.56 -0.09 0.00 0.00 0.00 0.00 60.65 61.31 1bld s ILE 74 Cb -0.14 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1bld s ILE 74 CO 0.07 0.31 0.22 -0.75 0.00 0.00 0.00 174.94 174.80 1bld s LYS 75 N -1.82 0.37 -0.05 2.79 2.20 -0.47 -3.89 119.74 118.88 1bld s LYS 75 Ca 0.33 0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.87 1bld s LYS 75 Cb -0.14 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.29 1bld s LYS 75 CO 0.18 -0.07 0.44 0.20 -0.36 0.00 0.00 175.35 175.73 1bld s GLY 76 N -0.40 2.44 0.00 5.54 0.00 -0.28 0.66 107.32 115.29 1bld s GLY 76 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1bld s GLY 76 CO 0.01 0.42 0.09 -0.62 0.00 0.00 0.00 173.10 173.00 1bld n VAL 77 N 2.62 0.00 -0.28 1.40 0.31 -1.22 -0.40 118.33 120.76 1bld n VAL 77 Ca -0.11 0.21 0.09 0.00 -0.01 0.00 0.00 64.34 64.53 1bld n VAL 77 Cb 0.52 -0.47 0.25 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.21 0.56 4.52 0.87 -1.88 0.73 113.55 118.57 1bld h SER 78 Ca 0.00 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1bld h SER 78 Cb 0.00 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1bld h SER 78 CO 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 176.83 176.01 1bld h ALA 79 N 1.65 1.20 -6.39 6.23 0.00 -1.84 -3.47 119.26 116.64 1bld h ALA 79 Ca 0.49 -0.27 -0.48 0.00 0.00 0.00 0.00 54.91 54.65 1bld h ALA 79 Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1bld h ALA 79 CO -0.51 0.37 -0.87 0.09 0.00 0.00 0.00 179.25 178.33 1bld n ASN 80 N -3.74 -0.56 -3.83 0.00 3.02 0.25 -4.92 115.26 105.50 1bld n ASN 80 Ca -0.01 -0.96 -0.12 0.00 -0.03 0.00 0.00 54.58 53.46 1bld n ASN 80 Cb 0.40 -3.30 -0.10 0.00 -0.61 0.00 0.00 39.78 36.17 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 -6.41 0.45 -0.14 3.52 0.52 -1.18 -4.66 118.95 111.05 1bld s ARG 81 Ca 0.01 -0.16 -0.20 0.00 -0.52 0.00 0.00 55.73 54.86 1bld s ARG 81 Cb -0.00 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1bld s ARG 81 CO 0.87 -0.10 0.57 0.71 0.02 0.00 0.00 175.30 177.37 1bld s TYR 82 N -0.94 3.47 0.49 -0.53 1.51 0.12 -1.12 117.35 120.34 1bld s TYR 82 Ca -0.10 0.96 -0.23 0.00 -1.01 0.00 0.00 57.07 56.68 1bld s TYR 82 Cb -0.05 -2.69 -0.08 0.00 -0.11 0.00 0.00 41.96 39.03 1bld s TYR 82 CO 0.02 0.01 1.22 -0.11 -1.11 0.00 0.00 175.55 175.58 1bld n LEU 83 N 4.25 4.24 -4.11 -1.29 7.94 -1.25 -2.09 117.00 124.69 1bld n LEU 83 Ca -0.04 1.02 -0.11 0.00 -1.11 0.00 0.00 56.01 55.77 1bld n LEU 83 Cb 0.51 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.89 1bld n LEU 83 CO 0.44 -0.91 -0.05 0.00 -1.11 0.00 0.00 177.39 175.75 1bld s ALA 84 N -1.28 0.56 -0.07 1.96 0.00 0.01 -4.26 121.76 118.68 1bld s ALA 84 Ca 0.66 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1bld s ALA 84 Cb -0.47 1.25 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1bld s ALA 84 CO 0.54 -0.71 0.16 1.41 0.00 0.00 0.00 175.76 177.16 1bld s MET 85 N -4.08 0.14 0.00 0.00 1.75 -1.26 -1.94 119.30 113.91 1bld s MET 85 Ca 0.32 0.31 0.00 0.00 -1.25 0.00 0.00 55.69 55.07 1bld s MET 85 Cb 0.04 -0.05 0.00 0.00 2.84 0.00 0.00 34.83 37.66 1bld s MET 85 CO 0.11 -0.10 0.00 1.63 -0.65 0.00 0.00 175.02 176.01 1bld n LYS 86 N 3.65 -0.49 0.01 4.11 4.76 -0.54 -4.86 118.16 124.80 1bld n LYS 86 Ca -0.20 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.36 1bld n LYS 86 Cb 0.55 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.90 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 -1.23 0.07 -0.05 1.97 -0.00 -1.26 -4.16 120.64 115.99 1bld n GLU 87 Ca 0.00 0.01 -0.21 0.00 -0.00 0.00 0.00 57.16 56.95 1bld n GLU 87 Cb 0.00 -1.53 -0.13 0.00 -0.00 0.00 0.00 31.44 29.78 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1bld n ASP 88 N -1.63 2.04 0.00 -1.84 5.68 -1.26 -4.99 116.55 114.56 1bld n ASP 88 Ca 0.05 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 1bld n ASP 88 Cb 0.36 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 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 1.89 0.33 3.70 6.12 0.00 -1.26 -4.25 105.19 111.72 1bld n GLY 89 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 4.25 -0.08 1.61 0.52 -1.26 -3.60 118.95 120.39 1bld s ARG 90 Ca 0.00 2.20 -0.16 0.00 -0.52 0.00 0.00 55.73 57.25 1bld s ARG 90 Cb 0.00 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 1bld s ARG 90 CO 0.00 -0.59 0.40 -0.51 0.02 0.00 0.00 175.30 174.62 1bld s LEU 91 N 1.83 4.36 -0.09 2.53 1.02 -1.26 -1.47 118.68 125.60 1bld s LEU 91 Ca 0.69 0.81 -0.14 0.00 0.02 0.00 0.00 54.13 55.51 1bld s LEU 91 Cb -0.38 -2.57 0.03 0.00 0.02 0.00 0.00 46.19 43.29 1bld s LEU 91 CO 0.30 0.17 0.35 -1.48 0.02 0.00 0.00 176.35 175.71 1bld s LEU 92 N -0.17 0.68 0.21 1.79 0.05 -0.82 -4.28 118.68 116.14 1bld s LEU 92 Ca 0.23 0.50 0.05 0.00 0.05 0.00 0.00 54.13 54.95 1bld s LEU 92 Cb -0.15 1.28 -0.03 0.00 -2.05 0.00 0.00 46.19 45.23 1bld s LEU 92 CO 0.10 -0.25 0.31 0.00 -0.55 0.00 0.00 176.35 175.96 1bld s ALA 93 N -0.38 3.88 0.11 1.48 0.00 -1.24 -0.81 121.76 124.80 1bld s ALA 93 Ca -0.05 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1bld s ALA 93 Cb -0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 1bld s ALA 93 CO 0.02 0.33 0.18 -1.12 0.00 0.00 0.00 175.76 175.17 1bld s SER 94 N -3.73 0.16 -0.03 0.00 0.01 -0.89 -4.80 113.70 104.43 1bld s SER 94 Ca 0.34 -0.80 -0.23 0.00 1.31 0.00 0.00 55.95 56.57 1bld s SER 94 Cb -0.09 0.34 -0.21 0.00 0.21 0.00 0.00 66.02 66.27 1bld s SER 94 CO 0.28 -0.76 1.12 0.11 0.41 0.00 0.00 173.24 174.40 1bld h LYS 95 N 2.75 0.21 -6.45 12.44 1.79 -1.88 0.34 116.57 125.77 1bld h LYS 95 Ca -0.33 -0.18 -0.54 0.00 -2.18 0.00 0.00 60.65 57.42 1bld h LYS 95 Cb 1.20 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 1bld h LYS 95 CO 0.56 0.85 0.14 -1.12 -1.08 0.00 0.00 179.45 178.80 1bld s SER 96 N -6.24 7.32 0.36 0.86 0.01 -1.26 -4.51 113.70 110.23 1bld s SER 96 Ca -0.15 1.56 -0.13 0.00 1.31 0.00 0.00 55.95 58.54 1bld s SER 96 Cb 0.02 -2.47 -0.08 0.00 0.21 0.00 0.00 66.02 63.70 1bld s SER 96 CO 0.74 0.20 0.74 0.54 0.41 0.00 0.00 173.24 175.87 1bld s VAL 97 N -1.03 4.74 0.00 3.43 0.11 -1.26 -4.83 120.40 121.57 1bld s VAL 97 Ca 0.35 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 1bld s VAL 97 Cb -0.22 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1bld s VAL 97 CO 0.25 -0.33 0.00 0.35 -3.33 0.00 0.00 175.10 172.03 1bld n THR 98 N -0.78 0.00 0.01 5.04 -2.24 -1.26 -5.04 114.28 110.01 1bld n THR 98 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1bld n THR 98 Cb 0.53 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1bld n THR 98 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bld h ASP 99 N 0.00 -0.41 -0.46 3.42 3.32 -2.01 -3.21 116.42 117.07 1bld h ASP 99 Ca 0.00 0.08 -0.54 0.00 0.02 0.00 0.00 57.03 56.59 1bld h ASP 99 Cb 0.00 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1bld h ASP 99 CO 0.00 -0.18 1.86 -0.62 -1.72 0.00 0.00 179.24 178.59 1bld n GLU 100 N -5.27 2.22 0.00 3.56 1.02 -1.26 -3.69 120.64 117.21 1bld n GLU 100 Ca -0.03 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1bld n GLU 100 Cb 0.19 -3.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.14 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 -1.00 3.50 -0.10 0.00 0.40 -1.24 -4.20 117.98 115.33 1bld s PHE 102 Ca 0.00 1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 57.39 1bld s PHE 102 Cb 0.00 -2.51 0.05 0.00 0.51 0.00 0.00 43.02 41.07 1bld s PHE 102 CO 0.00 -0.24 0.21 -0.06 0.70 0.00 0.00 175.22 175.83 1bld s PHE 103 N -2.55 -0.28 0.03 0.36 0.40 -1.23 -3.74 117.98 110.97 1bld s PHE 103 Ca 0.52 0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 57.30 1bld s PHE 103 Cb -0.10 -0.11 -0.09 0.00 0.51 0.00 0.00 43.02 43.22 1bld s PHE 103 CO 0.36 -0.28 1.98 -0.06 0.70 0.00 0.00 175.22 177.91 1bld s PHE 104 N 2.03 1.27 0.07 0.36 0.08 -0.09 -4.06 117.98 117.63 1bld s PHE 104 Ca -0.01 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 1bld s PHE 104 Cb -0.12 -4.25 -0.05 0.00 -0.57 0.00 0.00 43.02 38.04 1bld s PHE 104 CO -0.07 -5.58 0.33 -2.00 -0.10 0.00 0.00 175.22 167.80 1bld s GLU 105 N 4.50 3.64 -0.11 0.44 2.12 -1.26 -0.51 118.70 127.52 1bld s GLU 105 Ca 0.89 -0.02 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 1bld s GLU 105 Cb -0.43 -2.99 0.06 0.00 0.26 0.00 0.00 34.13 31.03 1bld s GLU 105 CO 0.42 0.57 0.19 0.50 -0.54 0.00 0.00 175.26 176.40 1bld s ARG 106 N -2.07 0.07 -0.26 4.30 3.00 -0.97 -4.93 118.95 118.09 1bld s ARG 106 Ca 0.33 0.56 -0.19 0.00 -1.00 0.00 0.00 55.73 55.43 1bld s ARG 106 Cb -0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 34.95 34.47 1bld s ARG 106 CO 0.19 -0.34 0.57 -1.17 0.00 0.00 0.00 175.30 174.55 1bld s LEU 107 N 2.32 4.06 0.00 -0.88 2.96 -1.26 -0.36 118.68 125.52 1bld s LEU 107 Ca 0.03 0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 54.44 1bld s LEU 107 Cb -0.12 -2.75 0.17 0.00 0.50 0.00 0.00 46.19 43.99 1bld s LEU 107 CO -0.07 -0.33 1.07 -0.62 -1.32 0.00 0.00 176.35 175.08 1bld n GLU 108 N 5.63 -0.72 0.03 1.98 1.02 -0.75 -4.96 120.64 122.88 1bld n GLU 108 Ca -0.02 -2.08 0.12 0.00 -0.02 0.00 0.00 57.16 55.16 1bld n GLU 108 Cb 0.49 -0.98 0.31 0.00 -0.02 0.00 0.00 31.44 31.25 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 -3.43 0.50 -1.01 1.62 7.64 -1.26 -3.49 113.62 114.19 1bld n SER 109 Ca 0.15 0.11 0.04 0.00 1.01 0.00 0.00 58.87 60.18 1bld n SER 109 Cb 0.52 -0.04 0.18 0.00 -1.01 0.00 0.00 64.21 63.87 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bld n ASN 110 N -1.78 2.85 -2.80 6.43 3.02 -1.26 -4.89 115.26 116.83 1bld n ASN 110 Ca 0.05 -2.31 -0.11 0.00 -0.03 0.00 0.00 54.58 52.18 1bld n ASN 110 Cb 0.38 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.37 -4.68 -3.69 6.41 5.03 -1.23 -5.04 115.26 112.44 1bld n ASN 111 Ca 0.13 -0.51 -0.14 0.00 0.87 0.00 0.00 54.58 54.93 1bld n ASN 111 Cb 0.58 -3.98 -0.14 0.00 -1.02 0.00 0.00 39.78 35.22 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 -3.28 -0.31 -0.19 3.10 2.02 -1.26 -4.88 117.35 112.56 1bld s TYR 112 Ca 0.26 0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 57.54 1bld s TYR 112 Cb -0.03 -0.08 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1bld s TYR 112 CO 0.55 -0.28 0.59 -0.80 -1.57 0.00 0.00 175.55 174.03 1bld s ASN 113 N 1.98 6.67 0.44 2.29 0.02 -0.77 -1.81 114.94 123.77 1bld s ASN 113 Ca -0.02 0.80 0.05 0.00 -1.02 0.00 0.00 52.86 52.68 1bld s ASN 113 Cb -0.12 -2.33 0.01 0.00 0.02 0.00 0.00 41.25 38.84 1bld s ASN 113 CO -0.07 -0.22 0.61 0.42 0.02 0.00 0.00 177.10 177.86 1bld s THR 114 N 1.68 3.17 -0.23 1.60 -4.23 0.52 -2.98 115.64 115.16 1bld s THR 114 Ca 0.28 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1bld s THR 114 Cb -0.16 -3.10 0.10 0.00 1.34 0.00 0.00 72.50 70.68 1bld s THR 114 CO 0.11 -0.05 0.19 -0.31 -0.54 0.00 0.00 174.62 174.02 1bld s TYR 115 N -2.44 -0.11 -0.11 3.99 2.02 -1.26 -2.28 117.35 117.17 1bld s TYR 115 Ca 0.53 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 1bld s TYR 115 Cb -0.10 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1bld s TYR 115 CO 0.34 -0.70 0.32 1.03 -1.57 0.00 0.00 175.55 174.97 1bld s ARG 116 N 2.25 4.04 0.19 -0.62 0.52 0.33 -2.39 118.95 123.29 1bld s ARG 116 Ca 0.07 0.18 -0.31 0.00 -0.52 0.00 0.00 55.73 55.15 1bld s ARG 116 Cb -0.15 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 31.88 1bld s ARG 116 CO -0.21 0.44 1.56 0.45 0.02 0.00 0.00 175.30 177.56 1bld s SER 117 N -0.18 6.57 -0.00 0.23 0.15 -1.03 -0.92 113.70 118.52 1bld s SER 117 Ca 0.19 2.67 -0.00 0.00 0.70 0.00 0.00 55.95 59.51 1bld s SER 117 Cb -0.14 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1bld s SER 117 CO 0.07 -0.82 0.54 -0.09 1.20 0.00 0.00 173.24 174.15 1bld h ARG 118 N 6.29 -0.01 0.00 5.44 2.43 -1.92 0.59 114.38 127.20 1bld h ARG 118 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1bld h ARG 118 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1bld h ARG 118 CO 0.88 -0.01 0.21 1.17 -1.51 0.00 0.00 179.97 180.71 1bld n LYS 119 N -2.04 0.00 -3.04 0.20 4.81 -1.26 -2.46 118.16 114.38 1bld n LYS 119 Ca -0.00 0.29 -0.18 0.00 -0.87 0.00 0.00 58.31 57.55 1bld n LYS 119 Cb 0.00 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.32 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 -1.29 -1.39 0.59 5.64 4.01 -1.11 -4.93 117.16 118.67 1bld n TYR 120 Ca -0.00 -2.94 0.02 0.00 -0.16 0.00 0.00 57.90 54.82 1bld n TYR 120 Cb 0.21 0.32 0.14 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.42 0.00 0.27 -0.72 -2.24 0.18 -1.79 114.28 111.40 1bld n THR 121 Ca 0.17 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 1bld n THR 121 Cb 0.57 -0.60 0.25 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.75 2.97 -3.70 3.42 7.64 -1.26 -4.87 113.62 117.06 1bld n SER 122 Ca 0.04 -1.98 -0.13 0.00 1.01 0.00 0.00 58.87 57.80 1bld n SER 122 Cb 0.02 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.29 -0.58 0.18 1.43 0.51 -0.74 -4.94 118.94 113.50 1bld s TRP 123 Ca 0.37 1.39 0.03 0.00 -2.12 0.00 0.00 56.10 55.77 1bld s TRP 123 Cb 0.20 0.21 -0.03 0.00 -0.81 0.00 0.00 33.47 33.03 1bld s TRP 123 CO 0.26 -0.28 0.30 0.71 -0.51 0.00 0.00 176.95 177.43 1bld s TYR 124 N 0.37 3.46 -0.04 -1.98 1.51 -1.26 -2.46 117.35 116.95 1bld s TYR 124 Ca -0.01 0.07 -0.28 0.00 -1.01 0.00 0.00 57.07 55.84 1bld s TYR 124 Cb -0.04 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1bld s TYR 124 CO -0.01 0.49 0.90 0.08 -1.11 0.00 0.00 175.55 175.91 1bld s VAL 125 N -1.81 4.91 -0.05 0.71 1.01 -1.00 -4.81 120.40 119.36 1bld s VAL 125 Ca 0.34 1.87 -0.23 0.00 0.00 0.00 0.00 61.98 63.96 1bld s VAL 125 Cb -0.10 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1bld s VAL 125 CO 0.28 0.15 0.51 0.00 0.00 0.00 0.00 175.10 176.05 1bld s ALA 126 N 1.16 -1.30 0.53 5.51 0.00 -1.26 -4.70 121.76 121.69 1bld s ALA 126 Ca 0.47 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.41 1bld s ALA 126 Cb -0.20 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1bld s ALA 126 CO 0.23 -0.31 0.66 -0.51 0.00 0.00 0.00 175.76 175.83 1bld s LEU 127 N -1.14 3.17 0.00 0.00 1.43 -1.26 -2.73 118.68 118.14 1bld s LEU 127 Ca -0.11 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1bld s LEU 127 Cb -0.03 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1bld s LEU 127 CO 0.07 -1.14 0.00 0.29 0.23 0.00 0.00 176.35 175.80 1bld n LYS 128 N -2.04 1.21 0.01 1.70 5.02 -0.50 -4.49 118.16 119.06 1bld n LYS 128 Ca 0.11 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.51 1bld n LYS 128 Cb 0.61 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.69 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 -0.74 0.08 -0.00 1.97 1.85 -1.26 -3.85 116.66 114.70 1bld n ARG 129 Ca 0.00 -0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.98 1bld n ARG 129 Cb 0.00 -1.52 0.46 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.62 0.01 -0.24 8.89 5.66 -1.26 -4.89 114.28 120.82 1bld n THR 130 Ca 0.04 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1bld n THR 130 Cb 0.36 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 1.20 0.74 3.95 1.09 0.00 -1.25 -5.02 105.19 105.91 1bld n GLY 131 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 1.28 -0.26 1.61 1.11 -1.26 -0.29 119.66 121.18 1bld s GLN 132 Ca 0.00 -0.61 -0.17 0.00 0.01 0.00 0.00 55.36 54.58 1bld s GLN 132 Cb 0.00 -2.07 -0.03 0.00 -1.01 0.00 0.00 33.01 29.90 1bld s GLN 132 CO 0.00 -1.87 0.49 1.52 0.01 0.00 0.00 175.29 175.44 1bld s TYR 133 N -3.52 3.27 0.22 0.91 1.13 -1.26 -1.41 117.35 116.69 1bld s TYR 133 Ca 0.69 0.61 -0.30 0.00 -1.41 0.00 0.00 57.07 56.66 1bld s TYR 133 Cb -0.06 -2.69 -0.09 0.00 -1.10 0.00 0.00 41.96 38.02 1bld s TYR 133 CO 0.49 -0.26 1.24 0.21 -2.51 0.00 0.00 175.55 174.72 1bld s LYS 134 N 2.21 4.45 1.02 -3.49 2.20 -1.11 -4.77 119.74 120.26 1bld s LYS 134 Ca 0.20 1.98 -0.18 0.00 -0.36 0.00 0.00 55.97 57.62 1bld s LYS 134 Cb -0.16 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1bld s LYS 134 CO 0.09 -0.12 -0.25 -0.11 -0.36 0.00 0.00 175.35 174.60 1bld n LEU 135 N 2.16 -2.43 -0.52 5.43 7.94 -1.26 -4.74 117.00 123.58 1bld n LEU 135 Ca 0.04 0.12 0.13 0.00 -1.11 0.00 0.00 56.01 55.19 1bld n LEU 135 Cb 0.44 -0.94 0.35 0.00 0.53 0.00 0.00 43.42 43.79 1bld n LEU 135 CO 0.57 -3.81 0.71 0.61 -1.11 0.00 0.00 177.39 174.35 1bld n GLY 136 N 2.35 0.06 0.04 -3.96 0.00 -1.24 -3.94 105.19 98.51 1bld n GLY 136 Ca 0.02 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 0.20 0.23 -0.25 1.61 3.41 -1.26 -4.08 113.62 113.48 1bld n SER 137 Ca 0.15 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 1bld n SER 137 Cb 0.42 1.51 0.39 0.00 -0.26 0.00 0.00 64.21 66.27 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 -2.41 0.85 -2.29 4.33 5.02 -1.25 -4.89 118.16 117.51 1bld n LYS 138 Ca -0.05 -0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 55.43 1bld n LYS 138 Cb 0.61 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.49 4.49 0.00 -0.18 -4.23 -1.26 -5.03 115.64 106.94 1bld s THR 139 Ca 0.25 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1bld s THR 139 Cb 0.19 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1bld s THR 139 CO 0.51 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1bld n GLY 140 N -1.69 -0.78 3.48 3.99 0.00 -1.26 -4.72 105.19 104.21 1bld n GLY 140 Ca 0.07 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.04 0.00 1.61 0.04 -1.26 -2.99 135.00 129.36 1bld s PRO 141 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1bld s PRO 141 Cb 0.00 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1bld s PRO 141 CO 0.00 -3.80 0.00 0.41 0.04 0.00 0.00 177.00 173.65 1bld n GLY 142 N 0.84 2.46 3.52 0.56 0.00 -1.26 -4.93 105.19 106.39 1bld n GLY 142 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 3.33 0.00 1.61 -0.21 -1.16 -4.88 119.66 118.35 1bld s GLN 143 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 55.36 55.16 1bld s GLN 143 Cb 0.00 -3.96 0.37 0.00 1.00 0.00 0.00 33.01 30.42 1bld s GLN 143 CO 0.00 -1.10 0.77 1.63 -2.12 0.00 0.00 175.29 174.48 1bld n LYS 144 N 6.53 0.25 0.00 2.91 5.02 -1.26 -2.63 118.16 128.98 1bld n LYS 144 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1bld n LYS 144 Cb 0.48 -1.38 0.16 0.00 -0.02 0.00 0.00 35.03 34.27 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 -0.88 1.38 0.73 7.82 0.00 -1.26 -0.97 120.51 127.33 1bld n ALA 145 Ca 0.05 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1bld n ALA 145 Cb 0.02 -1.12 0.28 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 -1.46 0.39 -3.13 0.00 -5.35 -1.08 -4.66 119.36 104.07 1bld n ILE 146 Ca 0.02 -0.56 -0.45 0.00 -0.27 0.00 0.00 62.75 61.49 1bld n ILE 146 Cb 0.08 0.64 -0.01 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.46 5.80 0.51 7.28 1.43 -0.14 -4.21 118.68 127.88 1bld s LEU 147 Ca 0.35 -2.77 0.03 0.00 -1.03 0.00 0.00 54.13 50.70 1bld s LEU 147 Cb 0.20 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1bld s LEU 147 CO 0.28 -0.69 0.72 -0.36 0.23 0.00 0.00 176.35 176.53 1bld s PHE 148 N 0.89 2.87 -0.39 0.29 0.40 -1.16 -2.88 117.98 117.99 1bld s PHE 148 Ca 0.31 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1bld s PHE 148 Cb -0.07 -2.64 0.25 0.00 0.51 0.00 0.00 43.02 41.07 1bld s PHE 148 CO -0.07 -0.73 0.53 -0.11 0.70 0.00 0.00 175.22 175.53 1bld n LEU 149 N -2.21 0.03 -4.57 -0.37 7.94 -0.74 -1.84 117.00 115.24 1bld n LEU 149 Ca 0.08 -4.63 -0.39 0.00 -1.11 0.00 0.00 56.01 49.96 1bld n LEU 149 Cb 0.59 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.44 2.06 1.84 -2.84 -1.11 0.00 0.00 177.39 177.77 1bld s PRO 150 N -1.06 2.64 -0.20 1.96 0.02 -1.26 -3.78 135.00 133.31 1bld s PRO 150 Ca 0.35 1.44 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 1bld s PRO 150 Cb 0.17 -4.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.20 1bld s PRO 150 CO -0.12 -2.68 0.36 -1.64 -0.33 0.00 0.00 177.00 172.60 1bld s MET 151 N 7.18 4.17 0.16 5.54 -1.94 -1.01 -4.87 119.30 128.53 1bld s MET 151 Ca 0.91 0.14 -0.30 0.00 -1.71 0.00 0.00 55.69 54.72 1bld s MET 151 Cb -0.21 -3.53 -0.08 0.00 2.01 0.00 0.00 34.83 33.02 1bld s MET 151 CO 0.29 -0.01 1.32 0.45 -0.01 0.00 0.00 175.02 177.06 1bld s SER 152 N 1.01 6.90 -1.05 3.03 0.15 -1.26 -2.21 113.70 120.27 1bld s SER 152 Ca 0.18 2.33 -0.04 0.00 0.70 0.00 0.00 55.95 59.11 1bld s SER 152 Cb -0.14 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.70 1bld s SER 152 CO 0.07 -0.55 2.41 0.00 1.20 0.00 0.00 173.24 176.37 1bld n ALA 153 N 3.16 6.63 0.38 5.45 0.00 -0.96 -4.63 120.51 130.55 1bld n ALA 153 Ca 0.08 -3.88 -0.15 0.00 0.00 0.00 0.00 53.44 49.49 1bld n ALA 153 Cb 0.43 -2.52 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 1bld n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bld h LYS 154 N 4.08 -0.95 0.00 0.00 1.57 -1.91 -3.45 116.57 115.91 1bld h LYS 154 Ca 0.60 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 1bld h LYS 154 Cb 0.40 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1bld h LYS 154 CO 1.29 -0.63 0.00 0.45 -0.57 0.00 0.00 179.45 179.98