#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 -2.43 0.00 3.04 0.00 -1.26 -5.06 121.76 116.05 1bld s ALA 2 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1bld s ALA 2 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1bld s ALA 2 CO 0.00 -0.32 0.00 0.39 0.00 0.00 0.00 175.76 175.83 1bld n GLU 3 N 3.36 0.00 0.00 0.00 1.02 -1.26 -4.36 120.64 119.40 1bld n GLU 3 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1bld n GLU 3 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bld n GLY 4 N 0.00 -0.37 0.77 0.62 0.00 -1.26 -4.99 105.19 99.96 1bld n GLY 4 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 1bld n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bld n GLU 5 N -0.35 -1.56 -2.08 1.61 4.71 -1.26 -4.62 120.64 117.09 1bld n GLU 5 Ca 0.00 -0.27 -0.28 0.00 -0.01 0.00 0.00 57.16 56.59 1bld n GLU 5 Cb 0.00 -0.42 -0.06 0.00 -1.01 0.00 0.00 31.44 29.95 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1bld s ILE 6 N -1.08 3.55 -0.23 -3.67 -1.09 -1.26 -4.35 121.20 113.07 1bld s ILE 6 Ca 0.13 -0.89 -0.06 0.00 -2.23 0.00 0.00 60.65 57.59 1bld s ILE 6 Cb -0.02 -4.53 0.01 0.00 -1.58 0.00 0.00 42.46 36.33 1bld s ILE 6 CO 0.11 -1.02 0.14 0.41 -1.23 0.00 0.00 174.94 173.34 1bld n THR 7 N 7.77 -7.59 -2.85 2.92 -1.04 -1.26 -4.88 114.28 107.35 1bld n THR 7 Ca 0.44 1.09 -0.41 0.00 -2.04 0.00 0.00 64.05 63.13 1bld n THR 7 Cb 0.47 -5.25 -0.04 0.00 -1.82 0.00 0.00 70.33 63.69 1bld n THR 7 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1bld s THR 8 N -1.51 4.93 0.08 12.58 -1.32 -1.26 -5.00 115.64 124.14 1bld s THR 8 Ca 0.07 1.78 -0.26 0.00 -1.21 0.00 0.00 61.69 62.07 1bld s THR 8 Cb -0.01 -4.19 0.08 0.00 -1.51 0.00 0.00 72.50 66.87 1bld s THR 8 CO 0.51 0.16 0.74 -1.48 -2.21 0.00 0.00 174.62 172.34 1bld s LEU 9 N 1.20 -0.47 0.51 9.08 2.34 -1.26 -5.08 118.68 125.00 1bld s LEU 9 Ca 0.45 -0.01 -0.23 0.00 0.06 0.00 0.00 54.13 54.39 1bld s LEU 9 Cb -0.19 2.33 -0.07 0.00 -0.56 0.00 0.00 46.19 47.70 1bld s LEU 9 CO 0.21 -0.81 1.32 -0.81 -1.06 0.00 0.00 176.35 175.20 1bld n PRO 10 N -0.32 1.76 -3.60 1.48 -0.04 -1.26 -5.00 135.00 128.03 1bld n PRO 10 Ca -0.13 0.64 -0.29 0.00 -0.04 0.00 0.00 63.50 63.68 1bld n PRO 10 Cb 0.63 -2.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.46 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bld s ALA 11 N -1.27 1.51 -0.03 0.55 0.00 -1.26 -4.99 121.76 116.26 1bld s ALA 11 Ca 0.68 -2.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 1bld s ALA 11 Cb -0.44 -1.72 -0.22 0.00 0.00 0.00 0.00 23.12 20.74 1bld s ALA 11 CO 0.52 -2.02 1.10 -0.07 0.00 0.00 0.00 175.76 175.29 1bld h LEU 12 N 7.08 0.23 -8.43 0.00 4.07 -1.99 -3.41 115.31 112.85 1bld h LEU 12 Ca -0.01 -0.70 -0.40 0.00 0.08 0.00 0.00 57.88 56.85 1bld h LEU 12 Cb 0.96 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 1bld h LEU 12 CO 0.39 0.90 1.13 -2.16 -1.08 0.00 0.00 178.44 177.62 1bld s PRO 13 N -3.41 2.43 -0.25 1.13 0.05 -1.26 -4.52 135.00 129.17 1bld s PRO 13 Ca -0.16 0.50 0.03 0.00 0.05 0.00 0.00 61.00 61.43 1bld s PRO 13 Cb 0.02 -4.63 0.13 0.00 0.05 0.00 0.00 34.50 30.06 1bld s PRO 13 CO 0.74 -3.14 1.01 -0.85 0.05 0.00 0.00 177.00 174.80 1bld n GLU 14 N 9.04 0.40 -0.01 4.56 0.28 -1.26 -4.98 120.64 128.68 1bld n GLU 14 Ca 0.30 -0.72 0.08 0.00 -0.16 0.00 0.00 57.16 56.67 1bld n GLU 14 Cb 0.50 0.04 -0.13 0.00 1.43 0.00 0.00 31.44 33.29 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1bld n ASP 15 N -0.52 1.17 -1.14 -1.84 8.00 -1.26 -4.95 116.55 116.01 1bld n ASP 15 Ca -0.16 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.23 1bld n ASP 15 Cb 0.66 1.73 -0.03 0.00 -0.02 0.00 0.00 41.12 43.46 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bld n GLY 16 N 1.55 0.63 0.00 0.44 0.00 -1.26 -4.44 105.19 102.10 1bld n GLY 16 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.11 0.66 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.68 1bld n GLY 17 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1bld n GLY 17 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bld n SER 18 N 0.00 0.00 -3.10 1.61 2.88 -1.26 -4.96 113.62 108.79 1bld n SER 18 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1bld n SER 18 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bld n GLY 19 N 5.00 5.85 0.00 0.46 0.00 -1.26 -4.85 105.19 110.39 1bld n GLY 19 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N -0.29 0.00 -2.65 4.61 0.00 -1.26 -4.90 120.51 116.02 1bld n ALA 20 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 1bld n ALA 20 Cb 0.35 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.89 1bld n ALA 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bld n PHE 21 N 0.00 -0.12 -0.91 0.00 1.16 -1.26 -4.93 117.46 111.40 1bld n PHE 21 Ca 0.00 -0.55 -0.29 0.00 -1.87 0.00 0.00 57.45 54.75 1bld n PHE 21 Cb 0.00 1.03 0.20 0.00 -1.61 0.00 0.00 39.48 39.10 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1bld s PRO 22 N 0.02 0.06 0.27 3.97 0.04 -1.26 -5.01 135.00 133.09 1bld s PRO 22 Ca 0.25 0.75 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1bld s PRO 22 Cb 0.21 -1.68 0.07 0.00 0.04 0.00 0.00 34.50 33.14 1bld s PRO 22 CO -0.07 -3.04 0.15 -0.35 0.04 0.00 0.00 177.00 173.73 1bld n PRO 23 N -4.43 -2.14 -3.17 0.56 -0.04 -1.26 -4.53 135.00 119.99 1bld n PRO 23 Ca 0.05 -0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.05 1bld n PRO 23 Cb 0.55 -0.35 0.02 0.00 -0.04 0.00 0.00 33.50 33.69 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 -0.96 -0.73 0.00 0.55 0.00 -1.26 -4.87 105.19 97.92 1bld n GLY 24 Ca 0.02 1.15 0.00 0.00 0.00 0.00 0.00 46.02 47.19 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 -0.46 0.00 -0.26 1.61 -0.00 -1.26 -4.91 115.22 109.94 1bld n HIS 25 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1bld n HIS 25 Cb 0.56 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.61 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 -0.34 1.28 0.89 1.57 3.72 -1.26 -4.19 117.46 119.12 1bld n PHE 26 Ca 0.00 -1.34 0.05 0.00 -0.05 0.00 0.00 57.45 56.11 1bld n PHE 26 Cb 0.00 -0.67 0.15 0.00 -0.94 0.00 0.00 39.48 38.02 1bld n PHE 26 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1bld n LYS 27 N 0.09 1.82 -3.71 -1.08 0.00 -1.26 -4.74 118.16 109.28 1bld n LYS 27 Ca 0.25 -1.24 -0.14 0.00 0.00 0.00 0.00 58.31 57.17 1bld n LYS 27 Cb 0.82 -1.28 -0.08 0.00 0.00 0.00 0.00 35.03 34.49 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bld s ASP 28 N -0.99 -0.30 0.93 3.14 1.01 -1.26 -5.15 116.67 114.06 1bld s ASP 28 Ca 0.23 0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.63 1bld s ASP 28 Cb 0.12 0.38 0.12 0.00 1.01 0.00 0.00 42.92 44.55 1bld s ASP 28 CO 0.15 -0.47 0.97 -0.81 0.21 0.00 0.00 175.17 175.22 1bld n PRO 29 N 1.26 -0.44 -3.85 8.23 -0.04 -1.26 -4.65 135.00 134.25 1bld n PRO 29 Ca -0.21 -0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.06 1bld n PRO 29 Cb 0.56 -2.25 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bld s LYS 30 N -4.39 0.01 -0.10 0.54 1.02 -1.14 -1.62 119.74 114.06 1bld s LYS 30 Ca 0.65 0.05 -0.21 0.00 0.02 0.00 0.00 55.97 56.47 1bld s LYS 30 Cb -0.23 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1bld s LYS 30 CO 0.60 -0.03 0.62 1.03 -0.92 0.00 0.00 175.35 176.66 1bld s ARG 31 N 0.18 4.38 -0.58 1.68 0.52 -0.56 -3.98 118.95 120.59 1bld s ARG 31 Ca -0.01 0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 55.71 1bld s ARG 31 Cb -0.02 -3.46 0.09 0.00 0.52 0.00 0.00 34.95 32.08 1bld s ARG 31 CO -0.01 0.05 0.72 -0.51 0.02 0.00 0.00 175.30 175.57 1bld s LEU 32 N 0.91 5.20 -0.25 2.53 1.43 -1.26 -1.54 118.68 125.69 1bld s LEU 32 Ca 0.33 -1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 1bld s LEU 32 Cb -0.17 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1bld s LEU 32 CO 0.14 -1.11 0.39 -0.47 0.23 0.00 0.00 176.35 175.54 1bld s TYR 33 N 2.82 3.29 -0.55 0.29 5.04 -1.24 -2.54 117.35 124.46 1bld s TYR 33 Ca 0.13 0.49 -0.23 0.00 -2.44 0.00 0.00 57.07 55.02 1bld s TYR 33 Cb -0.22 -2.56 0.05 0.00 0.35 0.00 0.00 41.96 39.57 1bld s TYR 33 CO 0.08 -0.16 0.86 0.00 -1.34 0.00 0.00 175.55 174.99 1bld h LYS 35 N 9.25 0.00 -5.80 0.00 3.11 -1.87 -1.91 116.57 119.36 1bld h LYS 35 Ca -0.27 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 56.96 1bld h LYS 35 Cb 1.08 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.18 1bld h LYS 35 CO 1.07 0.00 0.58 -0.80 -2.81 0.00 0.00 179.45 177.49 1bld s ASN 36 N -3.98 6.30 0.00 4.20 -0.87 -1.26 -3.68 114.94 115.65 1bld s ASN 36 Ca -0.02 -0.48 0.00 0.00 -1.57 0.00 0.00 52.86 50.78 1bld s ASN 36 Cb 0.06 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1bld s ASN 36 CO 0.19 -1.30 0.00 0.61 -2.57 0.00 0.00 177.10 174.04 1bld n GLY 37 N 5.17 0.58 2.95 0.66 0.00 -1.26 -4.29 105.19 109.00 1bld n GLY 37 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.03 -2.25 3.02 -0.02 0.00 -0.76 -5.00 105.19 98.15 1bld n GLY 38 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.38 -0.28 -0.22 1.61 0.08 -0.92 -4.63 117.98 112.25 1bld s PHE 39 Ca 0.01 0.68 -0.17 0.00 0.12 0.00 0.00 56.93 57.58 1bld s PHE 39 Cb -0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.43 1bld s PHE 39 CO 0.44 -0.21 0.44 -0.06 -0.10 0.00 0.00 175.22 175.74 1bld s PHE 40 N 1.15 3.35 0.30 0.36 0.40 0.41 -0.56 117.98 123.39 1bld s PHE 40 Ca -0.09 0.64 -0.30 0.00 -0.60 0.00 0.00 56.93 56.58 1bld s PHE 40 Cb -0.10 -2.59 -0.12 0.00 0.51 0.00 0.00 43.02 40.72 1bld s PHE 40 CO -0.07 -0.09 1.48 -0.11 0.70 0.00 0.00 175.22 177.13 1bld n LEU 41 N 4.77 3.94 -3.63 -0.37 7.94 -1.05 -1.08 117.00 127.52 1bld n LEU 41 Ca -0.07 1.17 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 1bld n LEU 41 Cb 0.51 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.79 1bld n LEU 41 CO 0.40 -0.13 -0.16 -0.60 -1.11 0.00 0.00 177.39 175.79 1bld s ARG 42 N -0.94 0.14 -0.18 1.96 3.52 -0.55 -4.61 118.95 118.29 1bld s ARG 42 Ca 0.62 0.62 -0.17 0.00 -0.13 0.00 0.00 55.73 56.66 1bld s ARG 42 Cb -0.55 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 1bld s ARG 42 CO 0.53 -0.36 0.47 0.42 -0.81 0.00 0.00 175.30 175.55 1bld s ILE 43 N 2.38 5.16 0.33 4.11 1.01 -1.26 -2.39 121.20 130.55 1bld s ILE 43 Ca 0.03 0.87 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 1bld s ILE 43 Cb -0.13 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 1bld s ILE 43 CO -0.09 0.25 0.70 -1.00 0.00 0.00 0.00 174.94 174.80 1bld s HIS 44 N 1.22 3.42 0.58 3.97 3.76 -0.78 -4.76 115.29 122.71 1bld s HIS 44 Ca 0.23 1.05 0.27 0.00 -0.15 0.00 0.00 55.06 56.46 1bld s HIS 44 Cb -0.15 -2.42 1.58 0.00 1.11 0.00 0.00 32.58 32.71 1bld s HIS 44 CO 0.09 0.06 2.08 -1.35 -0.85 0.00 0.00 174.74 174.78 1bld h PRO 45 N 1.92 0.00 0.00 8.40 0.10 -1.89 0.32 132.00 140.84 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1bld h PRO 45 CO 0.66 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.36 1bld n ASP 46 N -3.94 0.00 0.00 -2.05 5.68 -1.26 -4.82 116.55 110.15 1bld n ASP 46 Ca 0.03 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1bld n ASP 46 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 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 0.45 2.97 3.61 6.12 0.00 0.11 -4.97 105.19 113.49 1bld n GLY 47 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.98 2.13 -3.73 1.61 5.12 -1.26 -3.71 116.66 115.83 1bld n ARG 48 Ca 0.00 0.70 -0.36 0.00 -1.93 0.00 0.00 57.85 56.26 1bld n ARG 48 Cb 0.00 -2.94 -0.06 0.00 -1.16 0.00 0.00 32.46 28.31 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 6.21 5.30 -0.17 1.55 1.01 -1.26 -1.86 120.40 131.18 1bld s VAL 49 Ca 0.97 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1bld s VAL 49 Cb -0.52 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.45 1bld s VAL 49 CO 0.43 0.49 1.08 1.51 0.00 0.00 0.00 175.10 178.61 1bld s ASP 50 N -1.36 -0.28 0.31 3.32 1.47 -1.00 -4.40 116.67 114.73 1bld s ASP 50 Ca 0.23 0.25 -0.05 0.00 1.18 0.00 0.00 52.55 54.16 1bld s ASP 50 Cb -0.14 0.24 -0.05 0.00 -0.34 0.00 0.00 42.92 42.63 1bld s ASP 50 CO 0.12 -0.29 0.58 -0.83 0.68 0.00 0.00 175.17 175.42 1bld s GLY 51 N -1.32 1.81 0.04 2.12 0.00 -0.02 -1.48 107.32 108.48 1bld s GLY 51 Ca 0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 44.72 44.09 1bld s GLY 51 CO -0.02 -0.45 0.19 -1.34 0.00 0.00 0.00 173.10 171.48 1bld s VAL 52 N -2.15 0.11 -2.06 1.40 -7.23 -0.24 -4.54 120.40 105.70 1bld s VAL 52 Ca 0.44 -0.93 0.15 0.00 -1.81 0.00 0.00 61.98 59.84 1bld s VAL 52 Cb -0.11 -0.93 0.41 0.00 0.56 0.00 0.00 36.38 36.31 1bld s VAL 52 CO 0.31 -0.51 1.36 0.54 -0.31 0.00 0.00 175.10 176.49 1bld n ARG 53 N 0.65 2.04 -3.09 4.82 1.74 -1.26 -0.44 116.66 121.12 1bld n ARG 53 Ca -0.19 -1.60 -0.44 0.00 -0.77 0.00 0.00 57.85 54.85 1bld n ARG 53 Cb 0.59 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.45 3.09 0.00 5.56 2.02 -1.26 -4.86 118.70 121.80 1bld s GLU 54 Ca 0.31 -1.08 0.29 0.00 0.02 0.00 0.00 54.97 54.52 1bld s GLU 54 Cb 0.16 -4.20 1.31 0.00 0.10 0.00 0.00 34.13 31.51 1bld s GLU 54 CO 0.22 -1.46 1.91 0.36 0.02 0.00 0.00 175.26 176.31 1bld n LYS 55 N 6.47 0.62 0.00 1.61 2.85 -1.26 -3.45 118.16 124.99 1bld n LYS 55 Ca -0.07 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1bld n LYS 55 Cb 0.44 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 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 -1.05 0.34 -4.29 -5.58 3.41 -1.26 -4.16 113.62 101.03 1bld n SER 56 Ca 0.14 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.47 1bld n SER 56 Cb 0.26 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1bld n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bld s ASP 57 N -0.71 5.72 0.00 4.04 2.15 -1.22 -4.90 116.67 121.75 1bld s ASP 57 Ca 0.00 -1.47 0.03 0.00 0.43 0.00 0.00 52.55 51.53 1bld s ASP 57 Cb 0.00 -2.02 0.16 0.00 -0.30 0.00 0.00 42.92 40.76 1bld s ASP 57 CO 0.00 -0.55 0.60 -2.65 -0.17 0.00 0.00 175.17 172.40 1bld n PRO 58 N 4.96 0.09 0.15 4.34 -0.02 -1.26 -1.67 135.00 141.59 1bld n PRO 58 Ca -0.10 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.40 1bld n PRO 58 Cb 0.43 -1.45 0.14 0.00 -0.02 0.00 0.00 33.50 32.60 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bld h HIS 59 N 0.00 0.00 0.00 6.00 3.86 -1.95 -2.88 115.15 120.18 1bld h HIS 59 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bld h HIS 59 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bld h HIS 59 CO 0.00 0.54 0.00 0.44 0.86 0.00 0.00 177.93 179.77 1bld n ILE 60 N -3.42 0.76 -2.36 2.45 -5.35 -0.67 -4.36 119.36 106.41 1bld n ILE 60 Ca 0.00 0.19 -0.36 0.00 -0.27 0.00 0.00 62.75 62.32 1bld n ILE 60 Cb 0.67 -1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.53 3.23 -0.02 6.28 1.02 -1.09 -4.61 119.74 122.02 1bld s LYS 61 Ca 0.08 -1.02 -0.19 0.00 0.02 0.00 0.00 55.97 54.86 1bld s LYS 61 Cb 0.06 -5.29 -0.05 0.00 -0.52 0.00 0.00 37.83 32.03 1bld s LYS 61 CO 0.13 -2.75 0.55 -0.51 -0.92 0.00 0.00 175.35 171.85 1bld s LEU 62 N 7.01 4.41 -0.36 3.17 1.43 -1.26 -3.74 118.68 129.34 1bld s LEU 62 Ca 0.57 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.54 1bld s LEU 62 Cb -0.01 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.37 1bld s LEU 62 CO -0.02 0.13 0.69 -1.58 0.23 0.00 0.00 176.35 175.79 1bld s GLN 63 N -0.25 3.68 0.37 1.70 0.74 0.14 -2.90 119.66 123.13 1bld s GLN 63 Ca 0.29 0.12 -0.12 0.00 0.05 0.00 0.00 55.36 55.70 1bld s GLN 63 Cb -0.18 -3.82 -0.07 0.00 1.10 0.00 0.00 33.01 30.05 1bld s GLN 63 CO 0.16 -0.79 0.74 -0.51 -0.55 0.00 0.00 175.29 174.33 1bld s LEU 64 N 2.85 3.93 -0.08 3.68 1.02 -1.26 -1.18 118.68 127.64 1bld s LEU 64 Ca 0.27 1.15 -0.04 0.00 0.02 0.00 0.00 54.13 55.52 1bld s LEU 64 Cb -0.14 -3.99 0.04 0.00 0.02 0.00 0.00 46.19 42.11 1bld s LEU 64 CO 0.16 -0.31 0.18 -1.58 0.02 0.00 0.00 176.35 174.81 1bld s GLN 65 N -3.52 0.15 -0.26 1.70 0.74 0.80 -4.82 119.66 114.46 1bld s GLN 65 Ca 0.52 0.40 -0.21 0.00 0.05 0.00 0.00 55.36 56.11 1bld s GLN 65 Cb -0.10 -0.11 -0.02 0.00 1.10 0.00 0.00 33.01 33.88 1bld s GLN 65 CO 0.26 -0.14 0.66 0.00 -0.55 0.00 0.00 175.29 175.53 1bld s ALA 66 N 1.00 3.61 0.00 1.58 0.00 -1.26 0.48 121.76 127.17 1bld s ALA 66 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1bld s ALA 66 Cb -0.09 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1bld s ALA 66 CO -0.06 -0.85 0.00 -1.91 0.00 0.00 0.00 175.76 172.94 1bld n GLU 67 N 5.78 0.00 0.00 0.00 4.07 -0.92 -4.95 120.64 124.61 1bld n GLU 67 Ca 0.00 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1bld n GLU 67 Cb 0.49 -0.50 0.00 0.00 -0.06 0.00 0.00 31.44 31.37 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 -1.97 3.49 -0.01 5.31 1.02 -1.06 -4.99 120.64 122.43 1bld n GLU 68 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1bld n GLU 68 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1bld n GLU 68 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1bld n ARG 69 N 0.00 0.64 0.00 3.49 0.00 -1.26 -4.53 116.66 115.00 1bld n ARG 69 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1bld n ARG 69 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bld n GLY 70 N 1.49 0.94 3.46 5.14 0.00 -1.26 -4.95 105.19 110.00 1bld n GLY 70 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.39 4.75 0.75 1.61 1.01 -1.26 -3.02 120.40 123.86 1bld s VAL 71 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1bld s VAL 71 Cb 0.00 -4.37 0.13 0.00 0.00 0.00 0.00 36.38 32.14 1bld s VAL 71 CO 0.00 -0.91 1.04 0.68 0.00 0.00 0.00 175.10 175.91 1bld s VAL 72 N 2.95 2.13 -0.13 2.92 -7.23 -1.16 -2.17 120.40 117.70 1bld s VAL 72 Ca 0.18 -0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1bld s VAL 72 Cb -0.18 -2.62 0.07 0.00 0.56 0.00 0.00 36.38 34.20 1bld s VAL 72 CO 0.13 0.00 0.23 -0.44 -0.31 0.00 0.00 175.10 174.71 1bld s SER 73 N -4.75 0.60 0.23 4.85 0.01 0.18 -3.70 113.70 111.12 1bld s SER 73 Ca 0.67 0.41 -0.11 0.00 1.31 0.00 0.00 55.95 58.23 1bld s SER 73 Cb -0.05 0.56 -0.07 0.00 0.21 0.00 0.00 66.02 66.66 1bld s SER 73 CO 0.45 -0.25 0.58 -0.63 0.41 0.00 0.00 173.24 173.80 1bld s ILE 74 N 2.38 4.89 -0.05 1.44 1.01 -1.26 -0.14 121.20 129.46 1bld s ILE 74 Ca 0.03 0.59 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 1bld s ILE 74 Cb -0.13 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1bld s ILE 74 CO -0.08 -0.04 0.22 -0.75 0.00 0.00 0.00 174.94 174.29 1bld s LYS 75 N -2.72 0.40 -0.03 2.79 2.20 -0.32 -4.08 119.74 117.97 1bld s LYS 75 Ca 0.47 0.05 -0.20 0.00 -0.36 0.00 0.00 55.97 55.92 1bld s LYS 75 Cb -0.12 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 1bld s LYS 75 CO 0.20 -0.08 0.57 0.20 -0.36 0.00 0.00 175.35 175.89 1bld s GLY 76 N -0.53 2.56 0.00 5.54 0.00 -0.48 0.23 107.32 114.64 1bld s GLY 76 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1bld s GLY 76 CO 0.01 0.77 0.06 -0.62 0.00 0.00 0.00 173.10 173.33 1bld n VAL 77 N 2.99 0.00 0.28 1.40 0.31 -1.25 -0.78 118.33 121.28 1bld n VAL 77 Ca -0.07 0.34 0.13 0.00 -0.01 0.00 0.00 64.34 64.73 1bld n VAL 77 Cb 0.51 -0.90 0.80 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.00 1.14 4.52 0.87 -1.88 -1.09 113.55 117.11 1bld h SER 78 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1bld h SER 78 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1bld h SER 78 CO 0.00 0.05 -0.90 0.00 -0.53 0.00 0.00 176.83 175.46 1bld h ALA 79 N 1.95 0.60 -6.29 6.23 0.00 -1.86 -3.48 119.26 116.41 1bld h ALA 79 Ca -0.00 -0.71 -0.46 0.00 0.00 0.00 0.00 54.91 53.74 1bld h ALA 79 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bld h ALA 79 CO 0.01 0.89 -0.86 0.09 0.00 0.00 0.00 179.25 179.38 1bld n ASN 80 N -3.16 -0.71 -3.79 0.00 3.02 0.04 -4.88 115.26 105.78 1bld n ASN 80 Ca -0.02 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.49 1bld n ASN 80 Cb 0.82 -3.56 -0.10 0.00 -0.61 0.00 0.00 39.78 36.34 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 -6.26 0.52 -0.09 3.52 0.52 -1.22 -4.46 118.95 111.47 1bld s ARG 81 Ca 0.00 -0.07 -0.15 0.00 -0.52 0.00 0.00 55.73 54.99 1bld s ARG 81 Cb -0.00 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.65 1bld s ARG 81 CO 0.85 -0.12 0.36 0.71 0.02 0.00 0.00 175.30 177.12 1bld s TYR 82 N -0.90 3.58 0.43 -0.53 1.51 0.59 -1.39 117.35 120.64 1bld s TYR 82 Ca -0.10 0.80 -0.25 0.00 -1.01 0.00 0.00 57.07 56.51 1bld s TYR 82 Cb -0.05 -2.34 -0.08 0.00 -0.11 0.00 0.00 41.96 39.38 1bld s TYR 82 CO 0.02 0.41 1.31 -1.17 -1.11 0.00 0.00 175.55 175.01 1bld s LEU 83 N -0.16 4.14 -0.14 -1.29 2.96 -1.26 -2.03 118.68 120.90 1bld s LEU 83 Ca 0.21 2.66 -0.09 0.00 -0.22 0.00 0.00 54.13 56.69 1bld s LEU 83 Cb -0.15 -3.99 0.04 0.00 0.50 0.00 0.00 46.19 42.60 1bld s LEU 83 CO 0.09 -0.98 0.34 0.00 -1.32 0.00 0.00 176.35 174.47 1bld s ALA 84 N -1.29 -0.84 -0.08 5.97 0.00 0.20 -4.39 121.76 121.33 1bld s ALA 84 Ca 0.60 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1bld s ALA 84 Cb -0.38 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1bld s ALA 84 CO 0.48 -0.20 0.23 1.41 0.00 0.00 0.00 175.76 177.68 1bld s MET 85 N 0.85 3.65 0.65 0.00 1.75 -1.16 -1.98 119.30 123.05 1bld s MET 85 Ca -0.05 0.06 -0.00 0.00 -1.25 0.00 0.00 55.69 54.44 1bld s MET 85 Cb -0.06 -3.22 0.08 0.00 2.84 0.00 0.00 34.83 34.47 1bld s MET 85 CO -0.06 0.72 0.90 0.15 -0.65 0.00 0.00 175.02 176.07 1bld s LYS 86 N -0.95 2.09 0.25 4.11 -0.14 -1.15 -4.93 119.74 119.03 1bld s LYS 86 Ca 0.18 -0.92 0.13 0.00 -1.36 0.00 0.00 55.97 54.00 1bld s LYS 86 Cb -0.14 -2.39 0.14 0.00 -1.68 0.00 0.00 37.83 33.77 1bld s LYS 86 CO 0.07 -1.11 1.47 1.05 -0.76 0.00 0.00 175.35 176.07 1bld h GLU 87 N -0.27 0.00 -0.01 1.68 4.11 -1.99 -3.30 114.58 114.81 1bld h GLU 87 Ca -0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.02 1bld h GLU 87 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1bld h GLU 87 CO 0.47 0.63 -0.05 0.38 0.07 0.00 0.00 179.01 180.51 1bld h ASP 88 N 0.00 0.06 0.00 3.06 2.03 -1.99 -3.48 116.42 116.10 1bld h ASP 88 Ca -0.01 -0.66 0.00 0.00 -0.73 0.00 0.00 57.03 55.64 1bld h ASP 88 Cb 1.37 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 1bld h ASP 88 CO 0.08 0.71 0.00 0.61 -1.03 0.00 0.00 179.24 179.61 1bld n GLY 89 N 0.69 0.47 3.68 7.15 0.00 -1.24 -4.70 105.19 111.24 1bld n GLY 89 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.28 -0.02 1.61 0.52 -1.26 -2.57 118.95 121.51 1bld s ARG 90 Ca 0.00 1.84 -0.16 0.00 -0.52 0.00 0.00 55.73 56.89 1bld s ARG 90 Cb 0.00 -3.65 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1bld s ARG 90 CO 0.00 -0.59 0.45 -0.51 0.02 0.00 0.00 175.30 174.67 1bld s LEU 91 N 2.73 4.43 0.00 2.53 1.02 -1.26 -2.91 118.68 125.22 1bld s LEU 91 Ca 0.61 0.96 -0.00 0.00 0.02 0.00 0.00 54.13 55.71 1bld s LEU 91 Cb -0.28 -2.66 0.00 0.00 0.02 0.00 0.00 46.19 43.28 1bld s LEU 91 CO 0.23 0.23 0.12 0.00 0.02 0.00 0.00 176.35 176.95 1bld n LEU 92 N 2.33 0.00 -4.02 1.79 -0.00 -0.84 -4.39 117.00 111.87 1bld n LEU 92 Ca -0.12 -0.72 -0.08 0.00 -0.00 0.00 0.00 56.01 55.09 1bld n LEU 92 Cb 0.52 0.62 -0.10 0.00 -0.00 0.00 0.00 43.42 44.46 1bld n LEU 92 CO 0.40 -0.16 -0.32 0.00 -0.00 0.00 0.00 177.39 177.31 1bld s ALA 93 N -1.91 0.27 0.03 1.47 0.00 -1.24 -0.63 121.76 119.74 1bld s ALA 93 Ca 0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 1bld s ALA 93 Cb -0.00 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1bld s ALA 93 CO 0.05 -0.32 0.17 -1.12 0.00 0.00 0.00 175.76 174.54 1bld s SER 94 N -2.43 0.05 0.35 0.00 0.01 -0.86 -4.81 113.70 106.01 1bld s SER 94 Ca -0.01 -0.34 0.13 0.00 1.31 0.00 0.00 55.95 57.04 1bld s SER 94 Cb 0.02 0.26 0.65 0.00 0.21 0.00 0.00 66.02 67.16 1bld s SER 94 CO -0.07 -0.50 1.78 0.11 0.41 0.00 0.00 173.24 174.97 1bld h LYS 95 N 3.69 0.00 -6.47 12.44 1.57 -1.89 0.17 116.57 126.08 1bld h LYS 95 Ca -0.32 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.93 1bld h LYS 95 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1bld h LYS 95 CO 0.46 0.42 -0.06 -1.54 -0.57 0.00 0.00 179.45 178.17 1bld s SER 96 N -6.88 6.73 0.19 0.86 1.04 -1.26 -4.70 113.70 109.68 1bld s SER 96 Ca -0.02 1.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.38 1bld s SER 96 Cb 0.14 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.91 1bld s SER 96 CO 0.73 -0.04 0.49 -0.69 0.98 0.00 0.00 173.24 174.71 1bld s VAL 97 N -1.74 5.01 0.06 5.02 1.01 -1.26 -4.72 120.40 123.78 1bld s VAL 97 Ca 0.46 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.71 1bld s VAL 97 Cb -0.12 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1bld s VAL 97 CO 0.20 -0.01 0.18 0.42 0.00 0.00 0.00 175.10 175.89 1bld s THR 98 N -1.73 0.13 0.37 3.92 -4.23 -1.26 -4.99 115.64 107.84 1bld s THR 98 Ca 0.44 -1.06 0.20 0.00 -1.18 0.00 0.00 61.69 60.08 1bld s THR 98 Cb -0.12 -1.13 0.20 0.00 1.34 0.00 0.00 72.50 72.79 1bld s THR 98 CO 0.22 -0.59 1.55 -0.78 -0.54 0.00 0.00 174.62 174.48 1bld h ASP 99 N 3.12 0.00 -0.95 3.99 3.58 -2.01 -0.75 116.42 123.39 1bld h ASP 99 Ca -0.33 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.62 1bld h ASP 99 Cb 1.19 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.05 1bld h ASP 99 CO 0.53 0.00 0.56 -0.62 -2.88 0.00 0.00 179.24 176.82 1bld n GLU 100 N -2.46 2.28 0.00 0.28 4.71 -1.26 -3.87 120.64 120.32 1bld n GLU 100 Ca -0.01 -2.36 0.00 0.00 -0.01 0.00 0.00 57.16 54.78 1bld n GLU 100 Cb 0.41 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 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 3.45 -0.12 0.00 0.08 -1.25 -4.61 117.98 115.53 1bld s PHE 102 Ca 0.00 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 1bld s PHE 102 Cb 0.00 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1bld s PHE 102 CO 0.00 0.44 0.34 -0.06 -0.10 0.00 0.00 175.22 175.84 1bld s PHE 103 N -1.97 -0.36 -0.14 0.36 0.40 -1.24 -3.18 117.98 111.86 1bld s PHE 103 Ca 0.34 0.87 -0.24 0.00 -0.60 0.00 0.00 56.93 57.30 1bld s PHE 103 Cb -0.09 0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.54 1bld s PHE 103 CO 0.29 -0.19 0.77 -0.06 0.70 0.00 0.00 175.22 176.73 1bld s PHE 104 N 0.10 3.47 -0.02 0.36 0.08 -0.78 -3.00 117.98 118.18 1bld s PHE 104 Ca -0.01 1.23 -0.19 0.00 0.12 0.00 0.00 56.93 58.08 1bld s PHE 104 Cb -0.03 -2.93 -0.05 0.00 -0.57 0.00 0.00 43.02 39.44 1bld s PHE 104 CO 0.01 -0.13 0.54 -2.00 -0.10 0.00 0.00 175.22 173.53 1bld s GLU 105 N 1.70 4.25 -0.04 0.44 2.12 -1.17 -1.43 118.70 124.56 1bld s GLU 105 Ca 0.37 0.62 -0.02 0.00 0.36 0.00 0.00 54.97 56.31 1bld s GLU 105 Cb -0.17 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 30.92 1bld s GLU 105 CO 0.14 0.39 0.08 0.50 -0.54 0.00 0.00 175.26 175.84 1bld s ARG 106 N -0.22 -0.01 -0.19 4.30 3.52 -0.77 -5.00 118.95 120.58 1bld s ARG 106 Ca 0.29 0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 56.04 1bld s ARG 106 Cb -0.17 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 1bld s ARG 106 CO 0.15 -0.23 0.48 -1.17 -0.81 0.00 0.00 175.30 173.72 1bld s LEU 107 N 1.55 4.17 0.00 -0.88 0.20 -1.26 -0.80 118.68 121.67 1bld s LEU 107 Ca -0.04 0.65 -0.01 0.00 0.69 0.00 0.00 54.13 55.42 1bld s LEU 107 Cb -0.12 -2.65 0.06 0.00 -0.43 0.00 0.00 46.19 43.05 1bld s LEU 107 CO -0.04 -0.12 0.42 -0.62 -0.29 0.00 0.00 176.35 175.70 1bld n GLU 108 N 4.51 0.21 -2.34 1.98 1.02 -1.09 -4.97 120.64 119.96 1bld n GLU 108 Ca -0.06 -1.05 -0.41 0.00 -0.02 0.00 0.00 57.16 55.62 1bld n GLU 108 Cb 0.51 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 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 -3.02 6.98 -0.56 1.62 7.64 -1.26 -4.13 113.62 120.90 1bld n SER 109 Ca 0.07 -3.28 -0.02 0.00 1.01 0.00 0.00 58.87 56.64 1bld n SER 109 Cb 0.23 -1.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.07 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bld n ASN 110 N 1.82 -0.31 0.00 6.43 0.23 -1.26 -4.95 115.26 117.22 1bld n ASN 110 Ca 0.49 -0.85 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 1bld n ASN 110 Cb 0.29 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1bld n ASN 111 N 0.00 0.00 -4.79 0.53 3.02 -1.26 -4.91 115.26 107.85 1bld n ASN 111 Ca -0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.09 1bld n ASN 111 Cb 0.40 -1.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.05 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 -1.38 3.62 0.45 3.10 2.02 -1.26 -4.93 117.35 118.98 1bld s TYR 112 Ca 0.00 0.88 0.03 0.00 -0.37 0.00 0.00 57.07 57.61 1bld s TYR 112 Cb 0.00 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.22 1bld s TYR 112 CO 0.00 0.46 0.64 -0.80 -1.57 0.00 0.00 175.55 174.28 1bld s ASN 113 N -0.40 5.72 -0.04 2.29 0.01 -1.05 -2.65 114.94 118.81 1bld s ASN 113 Ca 0.23 0.04 -0.02 0.00 -0.71 0.00 0.00 52.86 52.40 1bld s ASN 113 Cb -0.15 -1.23 0.03 0.00 0.41 0.00 0.00 41.25 40.31 1bld s ASN 113 CO 0.11 -0.75 0.06 0.42 -1.51 0.00 0.00 177.10 175.42 1bld s THR 114 N -2.50 -0.09 -0.32 1.60 -4.23 0.02 -2.92 115.64 107.20 1bld s THR 114 Ca 0.50 0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 61.29 1bld s THR 114 Cb -0.10 -0.17 -0.03 0.00 1.34 0.00 0.00 72.50 73.54 1bld s THR 114 CO 0.36 0.18 0.28 -0.31 -0.54 0.00 0.00 174.62 174.58 1bld s TYR 115 N 2.16 3.22 0.36 3.99 2.02 -1.26 -1.85 117.35 125.99 1bld s TYR 115 Ca 0.05 -0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 1bld s TYR 115 Cb -0.12 -2.51 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1bld s TYR 115 CO -0.03 -0.31 0.55 0.50 -1.57 0.00 0.00 175.55 174.69 1bld s ARG 116 N 1.85 3.35 0.67 -0.62 3.52 -0.52 -2.60 118.95 124.60 1bld s ARG 116 Ca 0.09 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 1bld s ARG 116 Cb -0.17 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.54 1bld s ARG 116 CO 0.11 0.07 1.05 0.45 -0.81 0.00 0.00 175.30 176.17 1bld s SER 117 N -4.09 5.67 -0.08 -2.12 0.15 -0.99 -1.86 113.70 110.39 1bld s SER 117 Ca 0.42 1.56 -0.00 0.00 0.70 0.00 0.00 55.95 58.63 1bld s SER 117 Cb -0.10 -2.49 -0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1bld s SER 117 CO 0.35 -1.25 -0.01 -0.09 1.20 0.00 0.00 173.24 173.45 1bld h ARG 118 N -0.54 0.00 0.14 5.44 9.65 -1.89 -3.33 114.38 123.84 1bld h ARG 118 Ca -0.44 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.13 1bld h ARG 118 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1bld h ARG 118 CO 0.58 0.00 -1.50 -0.22 2.80 0.00 0.00 179.97 181.63 1bld h LYS 119 N -0.82 0.30 -2.04 0.20 3.64 -1.87 -3.33 116.57 112.65 1bld h LYS 119 Ca 0.00 -0.51 -0.47 0.00 -1.27 0.00 0.00 60.65 58.40 1bld h LYS 119 Cb 0.03 0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 31.88 1bld h LYS 119 CO 0.00 1.18 0.41 0.66 -2.27 0.00 0.00 179.45 179.44 1bld n TYR 120 N -3.50 1.45 0.14 1.91 4.01 -1.26 -4.65 117.16 115.25 1bld n TYR 120 Ca -0.16 -1.93 0.04 0.00 -0.16 0.00 0.00 57.90 55.69 1bld n TYR 120 Cb 1.05 -1.44 0.23 0.00 -0.31 0.00 0.00 39.34 38.87 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 1.13 0.53 0.23 -0.72 -2.24 -1.25 0.12 114.28 112.08 1bld n THR 121 Ca 0.49 0.70 0.04 0.00 -2.27 0.00 0.00 64.05 63.01 1bld n THR 121 Cb 0.58 -1.70 0.20 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.85 3.06 -3.68 3.42 7.64 -1.26 -4.82 113.62 116.13 1bld n SER 122 Ca -0.01 -2.36 -0.14 0.00 1.01 0.00 0.00 58.87 57.38 1bld n SER 122 Cb 0.40 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.80 -0.57 0.41 1.43 0.51 0.32 -4.98 118.94 114.26 1bld s TRP 123 Ca 0.27 1.36 0.07 0.00 -2.12 0.00 0.00 56.10 55.68 1bld s TRP 123 Cb 0.19 0.21 -0.04 0.00 -0.81 0.00 0.00 33.47 33.02 1bld s TRP 123 CO 0.10 -0.32 0.23 0.71 -0.51 0.00 0.00 176.95 177.17 1bld s TYR 124 N 0.08 2.64 0.02 -1.98 1.51 -1.26 -2.33 117.35 116.02 1bld s TYR 124 Ca -0.02 -0.56 -0.25 0.00 -1.01 0.00 0.00 57.07 55.23 1bld s TYR 124 Cb -0.04 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1bld s TYR 124 CO 0.02 0.10 0.77 0.08 -1.11 0.00 0.00 175.55 175.41 1bld s VAL 125 N -2.57 4.81 0.05 0.71 1.01 -1.07 -4.86 120.40 118.48 1bld s VAL 125 Ca 0.43 1.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 1bld s VAL 125 Cb 0.02 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.33 1bld s VAL 125 CO 0.24 0.32 0.47 0.00 0.00 0.00 0.00 175.10 176.14 1bld s ALA 126 N 0.22 -1.19 0.45 5.51 0.00 -1.26 -4.53 121.76 120.96 1bld s ALA 126 Ca 0.39 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.88 1bld s ALA 126 Cb -0.20 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1bld s ALA 126 CO 0.22 -0.49 0.14 -0.51 0.00 0.00 0.00 175.76 175.13 1bld s LEU 127 N -2.00 2.86 0.00 0.00 1.43 -1.26 -3.02 118.68 116.69 1bld s LEU 127 Ca -0.05 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1bld s LEU 127 Cb -0.01 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1bld s LEU 127 CO -0.02 -0.66 0.00 0.29 0.23 0.00 0.00 176.35 176.19 1bld n LYS 128 N -1.26 0.58 0.03 1.70 5.02 0.44 -4.51 118.16 120.17 1bld n LYS 128 Ca -0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1bld n LYS 128 Cb 0.65 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.62 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 -0.92 0.45 -0.07 1.97 1.85 -1.26 -3.91 116.66 114.75 1bld n ARG 129 Ca 0.00 -0.03 0.11 0.00 -1.00 0.00 0.00 57.85 56.94 1bld n ARG 129 Cb 0.00 -1.62 0.37 0.00 -1.05 0.00 0.00 32.46 30.16 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 -2.18 0.19 -0.36 8.89 5.66 -1.26 -4.88 114.28 120.34 1bld n THR 130 Ca 0.00 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1bld n THR 130 Cb 0.49 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 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 1.19 0.72 3.91 1.09 0.00 -1.25 -5.01 105.19 105.84 1bld n GLY 131 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.64 3.09 -0.21 1.61 -1.52 -1.26 -0.84 119.66 119.89 1bld s GLN 132 Ca 0.00 0.06 -0.29 0.00 -1.95 0.00 0.00 55.36 53.18 1bld s GLN 132 Cb 0.00 -2.29 0.01 0.00 -0.22 0.00 0.00 33.01 30.50 1bld s GLN 132 CO 0.00 -0.57 1.07 1.52 -0.25 0.00 0.00 175.29 177.06 1bld s TYR 133 N -2.93 3.27 0.06 0.91 1.13 -1.26 -0.42 117.35 118.11 1bld s TYR 133 Ca 0.52 1.40 -0.31 0.00 -1.41 0.00 0.00 57.07 57.28 1bld s TYR 133 Cb -0.10 -3.30 -0.06 0.00 -1.10 0.00 0.00 41.96 37.39 1bld s TYR 133 CO 0.45 -0.66 1.30 0.21 -2.51 0.00 0.00 175.55 174.33 1bld s LYS 134 N 3.19 4.36 0.29 -3.49 2.20 -1.17 -4.73 119.74 120.39 1bld s LYS 134 Ca 0.46 1.89 -0.27 0.00 -0.36 0.00 0.00 55.97 57.69 1bld s LYS 134 Cb -0.16 -3.38 -0.14 0.00 -1.51 0.00 0.00 37.83 32.64 1bld s LYS 134 CO 0.08 -0.39 0.87 -0.11 -0.36 0.00 0.00 175.35 175.44 1bld n LEU 135 N 4.32 1.08 -0.62 5.43 7.94 -1.26 -4.74 117.00 129.15 1bld n LEU 135 Ca 0.11 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 1bld n LEU 135 Cb 0.45 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1bld n LEU 135 CO 0.57 -1.84 0.22 0.61 -1.11 0.00 0.00 177.39 175.83 1bld n GLY 136 N 1.42 1.13 0.02 -3.96 0.00 -1.06 -2.63 105.19 100.10 1bld n GLY 136 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.27 3.77 -0.04 1.61 3.41 -1.26 -4.56 113.62 116.82 1bld n SER 137 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1bld n SER 137 Cb 0.22 0.79 0.27 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.05 0.12 -2.04 4.33 5.02 -1.08 -4.90 118.16 117.56 1bld n LYS 138 Ca -0.06 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.82 1bld n LYS 138 Cb 0.52 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.93 3.23 -3.45 -0.18 -4.23 -1.24 -4.99 115.64 101.85 1bld s THR 139 Ca 0.13 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1bld s THR 139 Cb 0.18 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1bld s THR 139 CO 0.67 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1bld n GLY 140 N -0.17 -2.29 3.73 3.99 0.00 -1.26 -4.79 105.19 104.40 1bld n GLY 140 Ca 0.11 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.95 2.35 0.00 1.61 0.02 -1.26 -2.72 135.00 133.05 1bld s PRO 141 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1bld s PRO 141 Cb 0.00 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1bld s PRO 141 CO 0.00 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 1bld n GLY 142 N 0.70 2.90 3.63 0.52 0.00 -1.26 -5.00 105.19 106.69 1bld n GLY 142 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.11 4.14 0.00 1.61 -1.52 -1.10 -4.90 119.66 117.78 1bld s GLN 143 Ca 0.00 0.78 0.21 0.00 -1.95 0.00 0.00 55.36 54.40 1bld s GLN 143 Cb 0.00 -3.65 1.14 0.00 -0.22 0.00 0.00 33.01 30.28 1bld s GLN 143 CO 0.00 -0.49 1.66 1.63 -0.25 0.00 0.00 175.29 177.83 1bld n LYS 144 N 5.92 0.44 0.00 2.91 5.02 -1.26 -3.19 118.16 128.00 1bld n LYS 144 Ca 0.03 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.38 1bld n LYS 144 Cb 0.48 -1.50 0.03 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 -1.17 1.36 0.84 7.82 0.00 -1.26 -0.39 120.51 127.71 1bld n ALA 145 Ca 0.12 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1bld n ALA 145 Cb 0.13 -1.02 0.26 0.00 0.00 0.00 0.00 19.45 18.82 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 0.24 -3.16 0.00 -5.35 -1.19 -4.17 119.36 104.54 1bld n ILE 146 Ca 0.01 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.52 1bld n ILE 146 Cb 0.01 0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 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 -1.70 4.59 0.32 7.28 1.43 0.48 -4.37 118.68 126.70 1bld s LEU 147 Ca 0.34 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1bld s LEU 147 Cb 0.21 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 1bld s LEU 147 CO 0.30 -0.73 -0.09 -0.36 0.23 0.00 0.00 176.35 175.70 1bld s PHE 148 N 2.65 2.43 -0.42 0.29 0.40 -1.15 -3.50 117.98 118.67 1bld s PHE 148 Ca 0.20 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1bld s PHE 148 Cb -0.15 -1.28 0.23 0.00 0.51 0.00 0.00 43.02 42.33 1bld s PHE 148 CO 0.18 0.60 0.50 -0.11 0.70 0.00 0.00 175.22 177.09 1bld n LEU 149 N -0.79 0.41 -4.59 -0.37 7.94 -0.78 -2.54 117.00 116.28 1bld n LEU 149 Ca -0.05 -4.70 -0.42 0.00 -1.11 0.00 0.00 56.01 49.73 1bld n LEU 149 Cb 0.62 0.47 -0.03 0.00 0.53 0.00 0.00 43.42 45.01 1bld n LEU 149 CO 0.42 2.02 1.78 -2.84 -1.11 0.00 0.00 177.39 177.66 1bld s PRO 150 N -1.04 3.00 -0.20 1.96 0.02 -1.26 -3.59 135.00 133.89 1bld s PRO 150 Ca 0.35 1.71 -0.13 0.00 0.02 0.00 0.00 61.00 62.95 1bld s PRO 150 Cb 0.14 -4.36 -0.05 0.00 0.02 0.00 0.00 34.50 30.25 1bld s PRO 150 CO -0.12 -2.26 0.26 -1.64 -0.33 0.00 0.00 177.00 172.91 1bld s MET 151 N 6.50 4.18 0.48 5.54 -1.94 -0.59 -4.91 119.30 128.57 1bld s MET 151 Ca 0.93 -0.02 -0.22 0.00 -1.71 0.00 0.00 55.69 54.67 1bld s MET 151 Cb -0.27 -3.48 -0.07 0.00 2.01 0.00 0.00 34.83 33.02 1bld s MET 151 CO 0.33 0.14 1.14 0.45 -0.01 0.00 0.00 175.02 177.07 1bld s SER 152 N 0.73 6.06 -1.20 3.03 0.15 -1.26 -1.50 113.70 119.71 1bld s SER 152 Ca 0.13 2.24 -0.06 0.00 0.70 0.00 0.00 55.95 58.96 1bld s SER 152 Cb -0.13 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1bld s SER 152 CO 0.04 -0.99 2.56 0.00 1.20 0.00 0.00 173.24 176.05 1bld n ALA 153 N -0.74 6.85 0.13 5.45 0.00 -0.64 -4.74 120.51 126.82 1bld n ALA 153 Ca 0.09 -3.80 -0.08 0.00 0.00 0.00 0.00 53.44 49.65 1bld n ALA 153 Cb 0.49 -2.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 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 4.37 -0.44 0.00 0.00 1.57 -1.91 -3.47 116.57 116.71 1bld h LYS 154 Ca 0.67 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 1bld h LYS 154 Cb 0.40 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1bld h LYS 154 CO 1.39 -0.29 0.00 -1.13 -0.57 0.00 0.00 179.45 178.85