#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld n ALA 2 N 0.00 0.00 -0.57 3.04 0.00 -1.26 -5.12 120.51 116.60 1bld n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bld n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bld n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bld n GLU 3 N 0.00 0.00 -1.90 0.00 1.02 -1.26 -4.57 120.64 113.93 1bld n GLU 3 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1bld n GLU 3 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 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 0.08 0.00 0.62 0.00 -1.26 -4.87 105.19 99.76 1bld n GLY 4 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.59 0.00 -2.44 1.61 1.02 -1.26 -4.80 120.64 112.18 1bld n GLU 5 Ca 0.12 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.86 1bld n GLU 5 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.82 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bld s ILE 6 N 0.00 3.41 1.05 -3.67 1.01 -1.26 -4.99 121.20 116.75 1bld s ILE 6 Ca 0.00 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.91 1bld s ILE 6 Cb 0.00 -3.88 0.17 0.00 0.01 0.00 0.00 42.46 38.76 1bld s ILE 6 CO 0.00 0.31 0.74 1.07 0.00 0.00 0.00 174.94 177.06 1bld n THR 7 N 1.04 0.00 0.00 2.92 5.66 -1.26 -5.01 114.28 117.63 1bld n THR 7 Ca -0.01 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1bld n THR 7 Cb 0.45 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1bld n THR 7 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1bld n THR 8 N -4.42 0.00 -3.22 1.09 5.66 -1.26 -5.03 114.28 107.11 1bld n THR 8 Ca 0.06 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.88 1bld n THR 8 Cb 0.55 -0.69 0.01 0.00 -1.55 0.00 0.00 70.33 68.66 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bld n LEU 9 N -1.07 -5.32 0.00 1.09 4.77 -1.26 -4.96 117.00 110.25 1bld n LEU 9 Ca 0.00 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1bld n LEU 9 Cb 0.00 -2.62 0.14 0.00 -2.33 0.00 0.00 43.42 38.61 1bld n LEU 9 CO 0.00 -1.06 0.27 -0.81 -1.33 0.00 0.00 177.39 174.46 1bld n PRO 10 N -0.91 -2.67 -3.02 3.23 -0.05 -1.26 -4.60 135.00 125.72 1bld n PRO 10 Ca -0.03 -0.86 -0.14 0.00 -0.05 0.00 0.00 63.50 62.42 1bld n PRO 10 Cb 0.57 -0.92 0.01 0.00 -0.05 0.00 0.00 33.50 33.12 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bld n ALA 11 N -4.18 -2.82 0.00 0.55 0.00 -1.26 -4.87 120.51 107.92 1bld n ALA 11 Ca -0.11 0.87 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1bld n ALA 11 Cb 0.31 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 0.00 -4.66 0.00 4.77 -1.26 -5.10 117.00 110.26 1bld n LEU 12 Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1bld n LEU 12 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1bld n LEU 12 CO 0.50 0.00 1.41 -2.16 -1.33 0.00 0.00 177.39 175.81 1bld s PRO 13 N 0.00 4.18 -0.17 3.23 0.05 -1.26 -3.98 135.00 137.05 1bld s PRO 13 Ca 0.00 2.29 -0.03 0.00 0.05 0.00 0.00 61.00 63.31 1bld s PRO 13 Cb 0.00 -3.96 0.00 0.00 0.05 0.00 0.00 34.50 30.59 1bld s PRO 13 CO 0.00 -0.85 0.07 -1.91 0.05 0.00 0.00 177.00 174.36 1bld n GLU 14 N 6.98 -1.72 -3.10 4.56 4.07 -1.26 -4.84 120.64 125.33 1bld n GLU 14 Ca 0.18 1.66 -0.45 0.00 -0.06 0.00 0.00 57.16 58.48 1bld n GLU 14 Cb 0.42 -2.96 -0.03 0.00 -0.06 0.00 0.00 31.44 28.81 1bld n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1bld s ASP 15 N -1.35 6.62 0.00 4.31 1.01 -1.26 -4.20 116.67 121.80 1bld s ASP 15 Ca 0.04 -2.21 0.00 0.00 0.71 0.00 0.00 52.55 51.09 1bld s ASP 15 Cb -0.01 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1bld s ASP 15 CO 0.39 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.50 1bld n GLY 16 N 4.88 0.75 2.69 0.21 0.00 -1.26 -5.03 105.19 107.42 1bld n GLY 16 Ca 0.16 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.25 1.47 2.36 -0.02 0.00 -1.26 -4.98 105.19 102.51 1bld n GLY 17 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.45 -0.34 0.00 1.61 3.41 -1.26 -4.91 113.62 111.68 1bld n SER 18 Ca 0.01 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1bld n SER 18 Cb 0.84 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.67 1.78 0.65 5.00 0.00 -1.26 -4.40 105.19 107.62 1bld n GLY 19 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.00 2.20 -3.46 4.61 0.00 -1.26 -4.80 120.51 114.80 1bld n ALA 20 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1bld n ALA 20 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.49 1bld n ALA 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bld n PHE 21 N 0.26 -2.28 -1.10 0.00 3.72 -1.26 -4.78 117.46 112.01 1bld n PHE 21 Ca 0.00 0.73 -0.32 0.00 -0.05 0.00 0.00 57.45 57.81 1bld n PHE 21 Cb 0.25 -3.68 0.12 0.00 -0.94 0.00 0.00 39.48 35.23 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1bld s PRO 22 N -4.88 1.78 -0.44 -1.08 0.04 -1.26 -4.86 135.00 124.30 1bld s PRO 22 Ca 0.33 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1bld s PRO 22 Cb -0.09 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1bld s PRO 22 CO 0.81 -2.04 2.18 -1.25 0.04 0.00 0.00 177.00 176.74 1bld s PRO 23 N -4.57 2.56 0.00 0.56 0.04 -1.26 -4.63 135.00 127.70 1bld s PRO 23 Ca 0.66 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1bld s PRO 23 Cb -0.22 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1bld s PRO 23 CO 0.54 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1bld n GLY 24 N 5.82 -0.32 2.85 0.56 0.00 -1.26 -4.98 105.19 107.86 1bld n GLY 24 Ca 0.30 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.77 2.49 -0.13 1.61 8.25 -1.26 -4.52 115.22 120.89 1bld n HIS 25 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 57.72 54.82 1bld n HIS 25 Cb 0.00 -1.20 0.00 0.00 1.12 0.00 0.00 29.99 29.91 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 0.76 0.00 -0.60 4.41 3.01 -1.26 -4.64 117.46 119.14 1bld n PHE 26 Ca 0.34 -0.21 -0.04 0.00 1.01 0.00 0.00 57.45 58.55 1bld n PHE 26 Cb 0.31 -0.02 0.25 0.00 -0.01 0.00 0.00 39.48 40.01 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1bld n LYS 27 N -0.21 3.29 -3.81 -1.08 4.01 -1.26 -4.66 118.16 114.43 1bld n LYS 27 Ca 0.00 -2.45 -0.12 0.00 -0.51 0.00 0.00 58.31 55.24 1bld n LYS 27 Cb 0.15 -2.04 -0.09 0.00 -0.51 0.00 0.00 35.03 32.55 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bld s ASP 28 N -0.69 -0.06 1.13 4.39 1.01 -1.26 -5.13 116.67 116.07 1bld s ASP 28 Ca 0.44 -0.18 -0.14 0.00 0.71 0.00 0.00 52.55 53.38 1bld s ASP 28 Cb 0.35 0.29 0.22 0.00 1.01 0.00 0.00 42.92 44.79 1bld s ASP 28 CO 0.11 -0.49 0.76 -0.81 0.21 0.00 0.00 175.17 174.95 1bld n PRO 29 N 1.01 -1.96 -3.76 8.23 -0.04 -1.26 -4.53 135.00 132.68 1bld n PRO 29 Ca -0.20 -0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 62.59 1bld n PRO 29 Cb 0.57 -2.07 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 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 -4.16 0.20 -0.22 0.54 1.02 -0.86 -3.16 119.74 113.09 1bld s LYS 30 Ca 0.65 0.42 -0.25 0.00 0.02 0.00 0.00 55.97 56.81 1bld s LYS 30 Cb -0.22 -0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.03 1bld s LYS 30 CO 0.65 -0.12 0.82 1.03 -0.92 0.00 0.00 175.35 176.81 1bld s ARG 31 N 0.85 4.21 -0.80 1.68 0.52 -0.69 -3.88 118.95 120.83 1bld s ARG 31 Ca -0.06 0.94 -0.23 0.00 -0.52 0.00 0.00 55.73 55.86 1bld s ARG 31 Cb -0.07 -3.63 0.07 0.00 0.52 0.00 0.00 34.95 31.84 1bld s ARG 31 CO -0.05 -0.46 1.17 -0.51 0.02 0.00 0.00 175.30 175.46 1bld s LEU 32 N 2.65 4.07 -0.35 2.53 1.43 -1.26 -1.27 118.68 126.47 1bld s LEU 32 Ca 0.35 -1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 1bld s LEU 32 Cb -0.16 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1bld s LEU 32 CO 0.09 -1.47 0.59 -0.47 0.23 0.00 0.00 176.35 175.32 1bld s TYR 33 N 4.35 3.17 -0.12 0.29 5.04 -1.24 -2.35 117.35 126.49 1bld s TYR 33 Ca 0.32 0.31 -0.28 0.00 -2.44 0.00 0.00 57.07 54.98 1bld s TYR 33 Cb -0.09 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.16 1bld s TYR 33 CO 0.03 -0.58 0.93 0.00 -1.34 0.00 0.00 175.55 174.59 1bld n LYS 35 N 5.01 0.26 -2.88 0.00 4.81 -1.22 -2.31 118.16 121.83 1bld n LYS 35 Ca 0.07 0.24 -0.43 0.00 -0.87 0.00 0.00 58.31 57.31 1bld n LYS 35 Cb 0.49 -1.82 -0.03 0.00 0.02 0.00 0.00 35.03 33.69 1bld n LYS 35 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1bld s ASN 36 N -4.54 6.50 0.00 3.14 0.01 -1.26 -3.73 114.94 115.07 1bld s ASN 36 Ca 0.10 -1.73 0.00 0.00 -0.71 0.00 0.00 52.86 50.52 1bld s ASN 36 Cb 0.12 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1bld s ASN 36 CO 0.58 -1.20 0.00 0.61 -1.51 0.00 0.00 177.10 175.58 1bld n GLY 37 N 5.59 0.75 3.19 0.66 0.00 -1.26 -4.58 105.19 109.53 1bld n GLY 37 Ca 0.18 0.00 -0.20 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 -2.17 -0.76 2.91 -0.02 0.00 -1.11 -5.00 105.19 99.04 1bld n GLY 38 Ca 0.00 0.91 -0.13 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.71 -0.12 -0.14 1.61 0.08 -0.98 -4.71 117.98 112.01 1bld s PHE 39 Ca 0.24 0.36 -0.16 0.00 0.12 0.00 0.00 56.93 57.48 1bld s PHE 39 Cb -0.04 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 1bld s PHE 39 CO 0.68 -0.12 0.41 -0.06 -0.10 0.00 0.00 175.22 176.03 1bld s PHE 40 N 0.83 3.48 0.51 0.36 0.40 -0.86 -0.73 117.98 121.96 1bld s PHE 40 Ca -0.06 0.76 -0.22 0.00 -0.60 0.00 0.00 56.93 56.80 1bld s PHE 40 Cb -0.09 -2.48 -0.06 0.00 0.51 0.00 0.00 43.02 40.90 1bld s PHE 40 CO -0.04 0.17 1.27 -1.17 0.70 0.00 0.00 175.22 176.14 1bld s LEU 41 N 0.67 3.92 0.07 -0.37 2.96 -0.99 -0.46 118.68 124.48 1bld s LEU 41 Ca 0.22 2.54 -0.07 0.00 -0.22 0.00 0.00 54.13 56.60 1bld s LEU 41 Cb -0.14 -4.27 -0.01 0.00 0.50 0.00 0.00 46.19 42.27 1bld s LEU 41 CO 0.08 -1.27 0.15 -0.60 -1.32 0.00 0.00 176.35 173.38 1bld s ARG 42 N -2.82 0.77 -0.25 1.98 3.52 -0.29 -4.65 118.95 117.21 1bld s ARG 42 Ca 0.68 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1bld s ARG 42 Cb -0.35 0.31 0.08 0.00 -1.56 0.00 0.00 34.95 33.43 1bld s ARG 42 CO 0.41 -0.22 0.06 0.42 -0.81 0.00 0.00 175.30 175.16 1bld s ILE 43 N -3.65 0.67 0.59 4.11 1.01 -1.26 -2.21 121.20 120.46 1bld s ILE 43 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 1bld s ILE 43 Cb 0.04 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1bld s ILE 43 CO -0.10 -0.44 1.17 -1.00 0.00 0.00 0.00 174.94 174.57 1bld s HIS 44 N 1.76 2.48 0.61 3.97 3.76 -0.91 -4.63 115.29 122.32 1bld s HIS 44 Ca 0.04 1.53 0.31 0.00 -0.15 0.00 0.00 55.06 56.80 1bld s HIS 44 Cb -0.17 -3.40 1.79 0.00 1.11 0.00 0.00 32.58 31.91 1bld s HIS 44 CO -0.18 -1.99 2.13 -1.35 -0.85 0.00 0.00 174.74 172.51 1bld h PRO 45 N 0.87 0.00 0.00 8.40 0.10 -1.91 0.26 132.00 139.72 1bld h PRO 45 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.60 1bld h PRO 45 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.38 1bld h PRO 45 CO 0.55 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.25 1bld n ASP 46 N -3.58 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 110.49 1bld n ASP 46 Ca 0.00 -0.54 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 1bld n ASP 46 Cb 0.27 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 47 N 0.54 2.77 3.69 6.12 0.00 0.90 -4.91 105.19 114.31 1bld n GLY 47 Ca 0.16 -0.12 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 1.75 -3.54 1.61 5.12 -1.26 -2.63 116.66 117.71 1bld n ARG 48 Ca 0.00 0.64 -0.31 0.00 -1.93 0.00 0.00 57.85 56.25 1bld n ARG 48 Cb 0.00 -2.42 -0.05 0.00 -1.16 0.00 0.00 32.46 28.83 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 3.92 5.06 -0.22 1.55 1.01 -1.26 -2.14 120.40 128.31 1bld s VAL 49 Ca 0.95 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1bld s VAL 49 Cb -0.85 -3.63 0.16 0.00 0.00 0.00 0.00 36.38 32.06 1bld s VAL 49 CO 0.58 -0.04 1.20 1.51 0.00 0.00 0.00 175.10 178.35 1bld s ASP 50 N -2.47 -0.18 0.27 3.32 -4.77 -0.94 -4.61 116.67 107.29 1bld s ASP 50 Ca 0.44 0.17 -0.03 0.00 -3.30 0.00 0.00 52.55 49.83 1bld s ASP 50 Cb -0.12 0.15 -0.05 0.00 -1.09 0.00 0.00 42.92 41.82 1bld s ASP 50 CO 0.24 -0.18 0.51 -0.83 0.70 0.00 0.00 175.17 175.60 1bld s GLY 51 N -1.21 1.78 -0.09 2.12 0.00 0.14 -1.14 107.32 108.91 1bld s GLY 51 Ca 0.05 -0.68 -0.08 0.00 0.00 0.00 0.00 44.72 44.01 1bld s GLY 51 CO -0.04 -0.59 0.25 -1.34 0.00 0.00 0.00 173.10 171.38 1bld s VAL 52 N -2.05 -0.00 -1.29 1.40 -7.23 0.39 -4.54 120.40 107.07 1bld s VAL 52 Ca 0.42 0.01 0.17 0.00 -1.81 0.00 0.00 61.98 60.77 1bld s VAL 52 Cb -0.11 -0.35 0.25 0.00 0.56 0.00 0.00 36.38 36.73 1bld s VAL 52 CO 0.30 0.00 1.52 0.54 -0.31 0.00 0.00 175.10 177.16 1bld n ARG 53 N 3.01 0.17 -2.59 4.82 1.74 -1.26 -2.03 116.66 120.50 1bld n ARG 53 Ca -0.13 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1bld n ARG 53 Cb 0.58 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 1bld n ARG 53 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1bld s GLU 54 N -2.71 3.26 0.00 5.56 2.56 -1.26 -4.81 118.70 121.30 1bld s GLU 54 Ca 0.14 -0.49 0.13 0.00 0.00 0.00 0.00 54.97 54.75 1bld s GLU 54 Cb 0.11 -4.41 0.54 0.00 2.00 0.00 0.00 34.13 32.38 1bld s GLU 54 CO 0.28 -2.12 1.38 0.36 -0.56 0.00 0.00 175.26 174.60 1bld n LYS 55 N 9.06 1.40 0.09 4.30 2.85 -1.26 -3.42 118.16 131.17 1bld n LYS 55 Ca 0.08 -0.62 0.11 0.00 -1.05 0.00 0.00 58.31 56.84 1bld n LYS 55 Cb 0.49 -1.24 -0.02 0.00 -0.65 0.00 0.00 35.03 33.60 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 -0.09 0.74 -4.64 -5.58 2.88 -1.26 -4.37 113.62 101.31 1bld n SER 56 Ca 0.11 0.29 -0.42 0.00 -1.33 0.00 0.00 58.87 57.51 1bld n SER 56 Cb 0.18 0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 64.25 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bld s ASP 57 N -5.26 6.21 0.00 -3.46 1.01 -1.22 -4.71 116.67 109.23 1bld s ASP 57 Ca -0.02 2.14 0.02 0.00 0.71 0.00 0.00 52.55 55.40 1bld s ASP 57 Cb 0.10 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.63 1bld s ASP 57 CO 0.81 -1.32 0.60 -2.65 0.21 0.00 0.00 175.17 172.81 1bld n PRO 58 N 7.83 0.07 0.00 8.23 -0.02 -1.26 -1.64 135.00 148.21 1bld n PRO 58 Ca 0.22 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1bld n PRO 58 Cb 0.43 -1.48 0.65 0.00 -0.02 0.00 0.00 33.50 33.08 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 -0.98 0.00 1.26 6.00 8.25 -1.26 -2.76 115.22 125.73 1bld n HIS 59 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1bld n HIS 59 Cb 0.01 -0.33 0.28 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.33 0.26 -2.92 1.59 -5.35 -0.65 -4.17 119.36 106.79 1bld n ILE 60 Ca 0.11 -0.32 -0.44 0.00 -0.27 0.00 0.00 62.75 61.83 1bld n ILE 60 Cb 0.23 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 1bld n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bld s LYS 61 N -1.74 3.73 -0.04 6.28 -0.14 -1.11 -4.40 119.74 122.31 1bld s LYS 61 Ca 0.26 -1.96 -0.17 0.00 -1.36 0.00 0.00 55.97 52.73 1bld s LYS 61 Cb 0.13 -4.97 -0.05 0.00 -1.68 0.00 0.00 37.83 31.26 1bld s LYS 61 CO 0.20 -1.78 0.47 -0.51 -0.76 0.00 0.00 175.35 172.97 1bld s LEU 62 N 2.46 4.39 -0.54 3.17 1.43 -1.25 -3.10 118.68 125.24 1bld s LEU 62 Ca 0.36 0.96 -0.22 0.00 -1.03 0.00 0.00 54.13 54.19 1bld s LEU 62 Cb -0.04 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.53 1bld s LEU 62 CO -0.07 0.16 0.81 -1.58 0.23 0.00 0.00 176.35 175.90 1bld s GLN 63 N -0.28 3.23 0.31 1.70 2.00 0.24 -2.03 119.66 124.83 1bld s GLN 63 Ca 0.26 -0.55 -0.09 0.00 -2.00 0.00 0.00 55.36 52.98 1bld s GLN 63 Cb -0.17 -4.08 -0.06 0.00 0.80 0.00 0.00 33.01 29.50 1bld s GLN 63 CO 0.13 -1.39 0.63 -0.51 -0.50 0.00 0.00 175.29 173.65 1bld s LEU 64 N 3.39 4.03 -0.07 3.68 1.02 -1.26 -1.36 118.68 128.11 1bld s LEU 64 Ca 0.24 0.93 -0.05 0.00 0.02 0.00 0.00 54.13 55.26 1bld s LEU 64 Cb -0.16 -3.75 0.02 0.00 0.02 0.00 0.00 46.19 42.33 1bld s LEU 64 CO 0.16 -0.22 0.17 -1.58 0.02 0.00 0.00 176.35 174.90 1bld s GLN 65 N -3.38 0.18 -0.20 1.70 0.74 -0.17 -4.78 119.66 113.75 1bld s GLN 65 Ca 0.48 0.28 -0.22 0.00 0.05 0.00 0.00 55.36 55.94 1bld s GLN 65 Cb -0.11 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.03 1bld s GLN 65 CO 0.27 -0.05 0.69 0.00 -0.55 0.00 0.00 175.29 175.65 1bld s ALA 66 N 0.32 3.55 0.00 1.58 0.00 -1.26 0.41 121.76 126.36 1bld s ALA 66 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1bld s ALA 66 Cb -0.03 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1bld s ALA 66 CO -0.01 -0.63 0.00 -1.91 0.00 0.00 0.00 175.76 173.21 1bld n GLU 67 N 5.22 0.00 0.00 0.00 4.07 -0.99 -4.90 120.64 124.03 1bld n GLU 67 Ca 0.01 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1bld n GLU 67 Cb 0.49 -0.29 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 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 -1.67 0.00 0.00 5.31 1.02 -1.25 -5.00 120.64 119.05 1bld n GLU 68 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1bld n GLU 68 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1bld n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bld n ARG 69 N 0.00 0.00 -0.12 3.49 1.74 -1.26 -4.59 116.66 115.93 1bld n ARG 69 Ca 0.00 0.06 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1bld n ARG 69 Cb 0.00 -0.35 0.32 0.00 -1.02 0.00 0.00 32.46 31.40 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 2.22 0.58 3.82 -0.13 0.00 -1.26 -4.87 105.19 105.54 1bld n GLY 70 Ca 0.00 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N -1.70 4.80 -0.04 1.61 1.01 -1.26 -2.87 120.40 121.96 1bld s VAL 71 Ca 0.32 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 1bld s VAL 71 Cb 0.17 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1bld s VAL 71 CO 0.25 0.54 0.07 0.68 0.00 0.00 0.00 175.10 176.65 1bld s VAL 72 N -1.13 -0.08 -0.24 2.92 -7.23 -1.26 -2.35 120.40 111.03 1bld s VAL 72 Ca 0.28 0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 60.53 1bld s VAL 72 Cb -0.19 -0.14 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1bld s VAL 72 CO 0.18 0.11 0.55 -0.44 -0.31 0.00 0.00 175.10 175.18 1bld s SER 73 N 1.40 6.51 0.11 4.85 0.01 0.17 -4.30 113.70 122.45 1bld s SER 73 Ca -0.05 0.61 -0.12 0.00 1.31 0.00 0.00 55.95 57.70 1bld s SER 73 Cb -0.12 -2.30 -0.06 0.00 0.21 0.00 0.00 66.02 63.74 1bld s SER 73 CO -0.04 -0.28 0.47 -0.63 0.41 0.00 0.00 173.24 173.17 1bld s ILE 74 N 2.18 4.98 -0.06 1.44 1.01 -1.26 -1.00 121.20 128.49 1bld s ILE 74 Ca 0.23 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 1bld s ILE 74 Cb -0.16 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1bld s ILE 74 CO 0.09 0.26 0.23 -0.75 0.00 0.00 0.00 174.94 174.78 1bld s LYS 75 N -1.95 0.39 0.17 2.79 2.20 -0.46 -4.08 119.74 118.80 1bld s LYS 75 Ca 0.35 0.09 -0.25 0.00 -0.36 0.00 0.00 55.97 55.80 1bld s LYS 75 Cb -0.14 0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 36.28 1bld s LYS 75 CO 0.19 -0.08 0.78 0.20 -0.36 0.00 0.00 175.35 176.07 1bld s GLY 76 N -0.44 2.92 -0.11 5.54 0.00 -0.61 0.81 107.32 115.44 1bld s GLY 76 Ca -0.05 0.36 -0.05 0.00 0.00 0.00 0.00 44.72 44.97 1bld s GLY 76 CO 0.01 0.87 0.13 -2.08 0.00 0.00 0.00 173.10 172.03 1bld h VAL 77 N 3.32 0.32 0.15 1.40 2.07 -1.89 -2.90 116.25 118.72 1bld h VAL 77 Ca -0.47 -1.24 -0.23 0.00 0.82 0.00 0.00 66.70 65.58 1bld h VAL 77 Cb 1.21 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1bld h VAL 77 CO 0.66 0.11 -1.05 -1.28 0.02 0.00 0.00 177.57 176.03 1bld h SER 78 N -1.00 0.49 0.12 0.57 0.87 -1.88 -3.25 113.55 109.47 1bld h SER 78 Ca -0.00 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.63 1bld h SER 78 Cb 0.18 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1bld h SER 78 CO -0.00 1.49 -0.04 0.00 -0.53 0.00 0.00 176.83 177.75 1bld h ALA 79 N 0.06 1.44 -6.27 6.23 0.00 -1.82 -3.46 119.26 115.44 1bld h ALA 79 Ca -0.20 -0.04 -0.45 0.00 0.00 0.00 0.00 54.91 54.22 1bld h ALA 79 Cb 1.74 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.53 1bld h ALA 79 CO 0.14 0.05 -0.86 0.09 0.00 0.00 0.00 179.25 178.67 1bld n ASN 80 N -3.78 -1.13 -3.78 0.00 3.02 -1.09 -4.92 115.26 103.57 1bld n ASN 80 Ca -0.03 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1bld n ASN 80 Cb 0.14 -3.59 -0.09 0.00 -0.61 0.00 0.00 39.78 35.63 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 -6.21 0.61 -0.13 3.52 0.52 -1.25 -4.52 118.95 111.48 1bld s ARG 81 Ca 0.04 -0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 1bld s ARG 81 Cb -0.01 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1bld s ARG 81 CO 0.85 -0.16 0.42 0.71 0.02 0.00 0.00 175.30 177.14 1bld s TYR 82 N -1.24 3.49 0.45 -0.53 1.51 0.62 -1.57 117.35 120.07 1bld s TYR 82 Ca -0.13 0.79 -0.25 0.00 -1.01 0.00 0.00 57.07 56.47 1bld s TYR 82 Cb -0.05 -2.49 -0.09 0.00 -0.11 0.00 0.00 41.96 39.22 1bld s TYR 82 CO 0.03 0.18 1.41 -0.11 -1.11 0.00 0.00 175.55 175.96 1bld n LEU 83 N 3.69 4.97 -3.74 -1.29 7.94 -1.26 -1.85 117.00 125.47 1bld n LEU 83 Ca -0.08 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 55.82 1bld n LEU 83 Cb 0.52 -1.59 -0.12 0.00 0.53 0.00 0.00 43.42 42.76 1bld n LEU 83 CO 0.42 -0.21 -0.06 0.00 -1.11 0.00 0.00 177.39 176.44 1bld s ALA 84 N -1.19 -0.72 0.12 1.96 0.00 0.24 -4.44 121.76 117.73 1bld s ALA 84 Ca 0.61 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 1bld s ALA 84 Cb -0.46 -0.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 1bld s ALA 84 CO 0.58 -0.19 0.47 1.41 0.00 0.00 0.00 175.76 178.02 1bld s MET 85 N 0.92 3.85 0.54 0.00 1.75 -1.16 -1.86 119.30 123.34 1bld s MET 85 Ca -0.06 0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1bld s MET 85 Cb -0.07 -2.94 0.11 0.00 2.84 0.00 0.00 34.83 34.76 1bld s MET 85 CO -0.06 0.51 0.75 1.63 -0.65 0.00 0.00 175.02 177.19 1bld n LYS 86 N 0.77 0.11 0.13 4.11 4.76 -0.71 -4.95 118.16 122.38 1bld n LYS 86 Ca -0.06 -2.08 -0.24 0.00 -2.87 0.00 0.00 58.31 53.06 1bld n LYS 86 Cb 0.52 -0.48 -0.15 0.00 -1.84 0.00 0.00 35.03 33.08 1bld n LYS 86 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1bld h GLU 87 N 0.00 0.54 -0.27 1.97 4.39 -1.99 -3.30 114.58 115.92 1bld h GLU 87 Ca -0.25 -0.88 -0.15 0.00 0.34 0.00 0.00 59.36 58.42 1bld h GLU 87 Cb 0.93 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1bld h GLU 87 CO 0.27 1.42 -0.43 0.38 -1.16 0.00 0.00 179.01 179.49 1bld h ASP 88 N 0.12 0.72 0.00 1.42 3.04 -2.03 -3.46 116.42 116.23 1bld h ASP 88 Ca -0.24 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 1bld h ASP 88 Cb 2.09 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 40.17 1bld h ASP 88 CO 0.26 1.05 0.00 0.61 -2.04 0.00 0.00 179.24 179.13 1bld n GLY 89 N 0.09 -0.56 3.65 7.15 0.00 -1.24 -4.59 105.19 109.68 1bld n GLY 89 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.19 -0.06 1.61 0.52 -1.26 -3.71 118.95 120.23 1bld s ARG 90 Ca 0.00 1.52 -0.16 0.00 -0.52 0.00 0.00 55.73 56.57 1bld s ARG 90 Cb 0.00 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 1bld s ARG 90 CO 0.00 -0.76 0.43 -0.51 0.02 0.00 0.00 175.30 174.48 1bld s LEU 91 N 3.58 4.37 0.34 2.53 1.02 -1.26 -1.74 118.68 127.51 1bld s LEU 91 Ca 0.52 0.87 -0.04 0.00 0.02 0.00 0.00 54.13 55.50 1bld s LEU 91 Cb -0.19 -2.62 0.01 0.00 0.02 0.00 0.00 46.19 43.40 1bld s LEU 91 CO 0.14 0.17 0.50 -1.48 0.02 0.00 0.00 176.35 175.70 1bld s LEU 92 N -0.22 0.90 0.23 1.79 0.05 -0.78 -4.19 118.68 116.45 1bld s LEU 92 Ca 0.24 -1.43 0.09 0.00 0.05 0.00 0.00 54.13 53.08 1bld s LEU 92 Cb -0.16 1.59 -0.04 0.00 -2.05 0.00 0.00 46.19 45.53 1bld s LEU 92 CO 0.11 -1.32 0.01 0.00 -0.55 0.00 0.00 176.35 174.60 1bld s ALA 93 N -3.04 3.19 -0.14 1.48 0.00 -1.08 -0.59 121.76 121.58 1bld s ALA 93 Ca 0.29 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1bld s ALA 93 Cb -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.28 1bld s ALA 93 CO 0.19 0.34 0.36 -1.54 0.00 0.00 0.00 175.76 175.11 1bld s SER 94 N -3.43 -0.41 0.14 0.00 1.04 -0.77 -4.82 113.70 105.45 1bld s SER 94 Ca 0.30 0.76 -0.19 0.00 0.48 0.00 0.00 55.95 57.30 1bld s SER 94 Cb -0.07 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1bld s SER 94 CO 0.20 -0.16 1.69 0.11 0.98 0.00 0.00 173.24 176.06 1bld h LYS 95 N 6.45 0.00 -6.14 4.02 1.57 -1.88 0.18 116.57 120.76 1bld h LYS 95 Ca -0.33 -0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.90 1bld h LYS 95 Cb 1.18 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 1bld h LYS 95 CO 0.30 0.00 0.15 -1.12 -0.57 0.00 0.00 179.45 178.22 1bld s SER 96 N -5.21 7.09 0.52 0.86 0.01 -1.26 -4.44 113.70 111.28 1bld s SER 96 Ca -0.14 1.32 -0.06 0.00 1.31 0.00 0.00 55.95 58.38 1bld s SER 96 Cb 0.11 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1bld s SER 96 CO 0.69 -0.13 0.85 0.54 0.41 0.00 0.00 173.24 175.60 1bld s VAL 97 N 0.74 4.76 0.11 3.43 0.11 -1.26 -4.82 120.40 123.46 1bld s VAL 97 Ca 0.41 0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1bld s VAL 97 Cb -0.19 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1bld s VAL 97 CO 0.21 -0.88 0.14 0.35 -3.33 0.00 0.00 175.10 171.59 1bld n THR 98 N -2.39 0.00 0.42 5.04 -2.24 -1.26 -5.00 114.28 108.84 1bld n THR 98 Ca 0.02 -0.58 0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1bld n THR 98 Cb 0.55 0.34 0.42 0.00 -2.10 0.00 0.00 70.33 69.55 1bld n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bld n ASP 99 N -2.06 0.43 -2.80 3.42 5.68 -1.26 -3.18 116.55 116.77 1bld n ASP 99 Ca 0.00 0.61 -0.35 0.00 -0.50 0.00 0.00 54.79 54.56 1bld n ASP 99 Cb 0.18 -0.70 -0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1bld n ASP 99 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1bld n GLU 100 N -1.98 2.80 0.00 0.11 1.02 -1.26 -4.08 120.64 117.26 1bld n GLU 100 Ca 0.02 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 1bld n GLU 100 Cb 0.20 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bld s PHE 102 N 0.00 3.48 -0.20 0.00 0.08 -1.26 -4.57 117.98 115.52 1bld s PHE 102 Ca 0.00 0.44 -0.05 0.00 0.12 0.00 0.00 56.93 57.44 1bld s PHE 102 Cb 0.00 -1.92 0.10 0.00 -0.57 0.00 0.00 43.02 40.63 1bld s PHE 102 CO 0.00 0.39 0.36 -0.06 -0.10 0.00 0.00 175.22 175.81 1bld s PHE 103 N -1.79 -0.69 0.71 0.36 0.40 -1.26 -3.56 117.98 112.14 1bld s PHE 103 Ca 0.40 1.07 -0.16 0.00 -0.60 0.00 0.00 56.93 57.64 1bld s PHE 103 Cb -0.11 0.09 0.01 0.00 0.51 0.00 0.00 43.02 43.51 1bld s PHE 103 CO 0.27 -0.55 1.07 1.19 0.70 0.00 0.00 175.22 177.91 1bld n PHE 104 N 5.37 1.04 -4.90 0.36 3.72 0.29 -4.25 117.46 119.09 1bld n PHE 104 Ca -0.06 0.40 -0.26 0.00 -0.05 0.00 0.00 57.45 57.48 1bld n PHE 104 Cb 0.50 -2.13 -0.16 0.00 -0.94 0.00 0.00 39.48 36.75 1bld n PHE 104 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1bld s GLU 105 N -3.40 1.72 -0.05 -1.08 2.12 -1.14 -0.86 118.70 116.01 1bld s GLU 105 Ca 0.76 -0.65 -0.03 0.00 0.36 0.00 0.00 54.97 55.40 1bld s GLU 105 Cb -0.35 -1.56 0.02 0.00 0.26 0.00 0.00 34.13 32.51 1bld s GLU 105 CO 0.48 0.32 0.11 0.50 -0.54 0.00 0.00 175.26 176.13 1bld s ARG 106 N -0.18 0.09 -0.21 4.30 3.52 -0.85 -4.95 118.95 120.67 1bld s ARG 106 Ca 0.01 0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.76 1bld s ARG 106 Cb -0.10 -0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.16 1bld s ARG 106 CO 0.01 -0.10 0.14 -1.17 -0.81 0.00 0.00 175.30 173.37 1bld s LEU 107 N 0.66 4.17 0.71 -0.88 2.96 -1.26 -0.22 118.68 124.81 1bld s LEU 107 Ca -0.05 0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1bld s LEU 107 Cb -0.07 -2.09 0.08 0.00 0.50 0.00 0.00 46.19 44.61 1bld s LEU 107 CO -0.03 0.15 1.02 -1.61 -1.32 0.00 0.00 176.35 174.55 1bld s GLU 108 N 0.56 2.05 0.00 1.98 2.02 -1.19 -4.93 118.70 119.19 1bld s GLU 108 Ca 0.08 -0.40 0.25 0.00 0.02 0.00 0.00 54.97 54.91 1bld s GLU 108 Cb -0.12 -2.19 1.27 0.00 0.10 0.00 0.00 34.13 33.20 1bld s GLU 108 CO -0.00 -1.31 1.83 0.45 0.02 0.00 0.00 175.26 176.25 1bld n SER 109 N -2.93 0.00 -1.35 -0.19 2.88 -1.26 -2.78 113.62 107.99 1bld n SER 109 Ca 0.09 -0.15 0.05 0.00 -1.33 0.00 0.00 58.87 57.54 1bld n SER 109 Cb 0.60 -0.25 0.27 0.00 -0.75 0.00 0.00 64.21 64.08 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bld n ASN 110 N -1.25 3.93 -2.87 -3.46 3.02 -1.26 -4.92 115.26 108.45 1bld n ASN 110 Ca 0.13 -2.51 -0.10 0.00 -0.03 0.00 0.00 54.58 52.07 1bld n ASN 110 Cb 0.18 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.54 -5.88 -1.42 6.41 4.13 -1.12 -5.04 115.26 112.88 1bld n ASN 111 Ca 0.19 -0.48 -0.03 0.00 1.68 0.00 0.00 54.58 55.93 1bld n ASN 111 Cb 0.80 -4.30 -0.01 0.00 -1.54 0.00 0.00 39.78 34.73 1bld n ASN 111 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1bld n TYR 112 N -2.67 -0.41 -3.53 3.10 4.01 -1.26 -4.95 117.16 111.45 1bld n TYR 112 Ca -0.05 -0.51 -0.13 0.00 -0.16 0.00 0.00 57.90 57.05 1bld n TYR 112 Cb 0.58 0.09 -0.11 0.00 -0.31 0.00 0.00 39.34 39.58 1bld n TYR 112 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1bld s ASN 113 N -1.45 0.58 -0.22 7.72 0.01 -0.95 -3.15 114.94 117.48 1bld s ASN 113 Ca 0.07 0.30 -0.15 0.00 -0.71 0.00 0.00 52.86 52.36 1bld s ASN 113 Cb 0.00 0.77 -0.04 0.00 0.41 0.00 0.00 41.25 42.39 1bld s ASN 113 CO 0.05 -0.28 0.36 0.42 -1.51 0.00 0.00 177.10 176.14 1bld s THR 114 N 2.44 5.21 -0.44 1.60 -4.23 0.69 -2.84 115.64 118.07 1bld s THR 114 Ca 0.05 0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 61.00 1bld s THR 114 Cb -0.14 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.04 1bld s THR 114 CO -0.12 0.24 0.47 -0.31 -0.54 0.00 0.00 174.62 174.36 1bld s TYR 115 N 1.45 3.15 0.06 3.99 2.02 -1.26 -2.00 117.35 124.76 1bld s TYR 115 Ca 0.17 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1bld s TYR 115 Cb -0.15 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.35 1bld s TYR 115 CO 0.08 -0.76 0.28 0.50 -1.57 0.00 0.00 175.55 174.08 1bld s ARG 116 N 2.21 3.55 0.61 -0.62 3.52 -0.04 -1.65 118.95 126.54 1bld s ARG 116 Ca 0.13 -0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.43 1bld s ARG 116 Cb -0.18 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1bld s ARG 116 CO 0.13 0.59 1.03 0.45 -0.81 0.00 0.00 175.30 176.69 1bld s SER 117 N -2.12 6.14 0.00 -2.12 0.15 -1.07 0.10 113.70 114.79 1bld s SER 117 Ca 0.33 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1bld s SER 117 Cb -0.13 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1bld s SER 117 CO 0.22 -0.93 0.00 -1.14 1.20 0.00 0.00 173.24 172.59 1bld n ARG 118 N -2.59 0.00 -0.34 5.44 0.63 -1.23 -3.53 116.66 115.04 1bld n ARG 118 Ca 0.06 0.03 0.28 0.00 -0.92 0.00 0.00 57.85 57.30 1bld n ARG 118 Cb 0.54 -0.27 0.58 0.00 0.45 0.00 0.00 32.46 33.76 1bld n ARG 118 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1bld h LYS 119 N 0.00 0.25 -2.38 -0.14 3.64 -1.86 -1.79 116.57 114.28 1bld h LYS 119 Ca 0.00 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.69 1bld h LYS 119 Cb 0.00 -0.06 -0.36 0.00 -0.41 0.00 0.00 32.23 31.40 1bld h LYS 119 CO 0.00 0.17 -0.02 0.66 -2.27 0.00 0.00 179.45 177.98 1bld n TYR 120 N -4.53 3.32 0.41 1.91 4.01 -1.26 -4.83 117.16 116.19 1bld n TYR 120 Ca 0.27 -3.49 0.02 0.00 -0.16 0.00 0.00 57.90 54.54 1bld n TYR 120 Cb 1.04 -0.80 0.13 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.46 0.00 0.28 -0.72 -2.24 -0.68 -1.75 114.28 109.64 1bld n THR 121 Ca 0.33 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 1bld n THR 121 Cb 0.36 -0.73 0.23 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.84 2.96 -3.63 3.42 7.64 -1.26 -4.89 113.62 117.03 1bld n SER 122 Ca 0.03 -2.11 -0.10 0.00 1.01 0.00 0.00 58.87 57.70 1bld n SER 122 Cb 0.02 -0.39 -0.04 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 -1.48 -0.23 0.37 1.43 0.51 -0.72 -4.93 118.94 113.89 1bld s TRP 123 Ca 0.34 -0.07 0.05 0.00 -2.12 0.00 0.00 56.10 54.31 1bld s TRP 123 Cb 0.19 0.34 -0.07 0.00 -0.81 0.00 0.00 33.47 33.12 1bld s TRP 123 CO 0.21 -0.78 0.03 0.71 -0.51 0.00 0.00 176.95 176.61 1bld s TYR 124 N -3.81 2.25 -0.21 -1.98 1.51 -1.26 -2.60 117.35 111.25 1bld s TYR 124 Ca 0.04 -0.81 -0.22 0.00 -1.01 0.00 0.00 57.07 55.08 1bld s TYR 124 Cb 0.01 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1bld s TYR 124 CO -0.10 0.24 0.69 0.08 -1.11 0.00 0.00 175.55 175.35 1bld s VAL 125 N -2.99 4.97 -0.11 0.71 1.01 -0.66 -4.76 120.40 118.56 1bld s VAL 125 Ca 0.36 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1bld s VAL 125 Cb 0.09 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1bld s VAL 125 CO 0.17 0.06 0.47 0.00 0.00 0.00 0.00 175.10 175.80 1bld s ALA 126 N 2.16 -1.18 0.51 5.51 0.00 -1.26 -4.60 121.76 122.89 1bld s ALA 126 Ca 0.31 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1bld s ALA 126 Cb -0.16 -0.42 0.08 0.00 0.00 0.00 0.00 23.12 22.62 1bld s ALA 126 CO 0.10 -0.26 0.59 1.28 0.00 0.00 0.00 175.76 177.47 1bld n LEU 127 N 2.07 0.00 0.00 0.00 4.77 -1.26 -2.98 117.00 119.60 1bld n LEU 127 Ca -0.17 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 1bld n LEU 127 Cb 0.57 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1bld n LEU 127 CO 0.16 -0.74 0.00 0.29 -1.33 0.00 0.00 177.39 175.77 1bld n LYS 128 N -2.03 0.00 0.00 3.23 5.02 -0.33 -4.34 118.16 119.71 1bld n LYS 128 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1bld n LYS 128 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 0.00 -0.03 1.97 1.85 -1.26 -4.83 116.66 114.36 1bld n ARG 129 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 1bld n ARG 129 Cb 0.00 -0.30 0.02 0.00 -1.05 0.00 0.00 32.46 31.14 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 -1.02 0.07 -0.37 8.89 5.66 -1.26 -4.78 114.28 121.47 1bld n THR 130 Ca 0.00 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1bld n THR 130 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.55 0.81 3.96 1.09 0.00 -1.26 -4.97 105.19 105.37 1bld n GLY 131 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 2.86 -0.25 1.61 -1.52 -1.26 0.24 119.66 120.70 1bld s GLN 132 Ca 0.00 -0.66 -0.20 0.00 -1.95 0.00 0.00 55.36 52.55 1bld s GLN 132 Cb 0.00 -2.56 -0.02 0.00 -0.22 0.00 0.00 33.01 30.21 1bld s GLN 132 CO 0.00 -0.42 0.61 1.52 -0.25 0.00 0.00 175.29 176.75 1bld s TYR 133 N -2.60 3.29 0.29 0.91 1.13 -1.26 -1.19 117.35 117.92 1bld s TYR 133 Ca 0.52 0.81 -0.29 0.00 -1.41 0.00 0.00 57.07 56.69 1bld s TYR 133 Cb -0.10 -2.82 -0.10 0.00 -1.10 0.00 0.00 41.96 37.84 1bld s TYR 133 CO 0.37 -0.30 1.24 0.21 -2.51 0.00 0.00 175.55 174.56 1bld s LYS 134 N 2.40 4.46 0.42 -3.49 2.20 -1.16 -4.75 119.74 119.82 1bld s LYS 134 Ca 0.26 2.05 -0.26 0.00 -0.36 0.00 0.00 55.97 57.66 1bld s LYS 134 Cb -0.16 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 32.94 1bld s LYS 134 CO 0.09 -0.06 1.39 -0.11 -0.36 0.00 0.00 175.35 176.29 1bld n LEU 135 N 1.23 4.64 0.00 5.43 7.94 -1.26 -4.79 117.00 130.18 1bld n LEU 135 Ca 0.01 1.14 0.03 0.00 -1.11 0.00 0.00 56.01 56.08 1bld n LEU 135 Cb 0.43 -1.57 0.15 0.00 0.53 0.00 0.00 43.42 42.96 1bld n LEU 135 CO 0.57 -0.25 0.34 0.61 -1.11 0.00 0.00 177.39 177.55 1bld n GLY 136 N 0.63 -0.32 0.10 -3.96 0.00 -1.24 -1.96 105.19 98.44 1bld n GLY 136 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.74 0.94 0.07 1.61 3.41 -1.26 -4.16 113.62 113.48 1bld n SER 137 Ca 0.04 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 1bld n SER 137 Cb 0.02 0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1bld n SER 137 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1bld h LYS 138 N 0.01 0.00 -7.32 4.33 1.57 -1.75 -3.47 116.57 109.94 1bld h LYS 138 Ca -0.40 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.88 1bld h LYS 138 Cb 2.07 0.00 0.13 0.00 0.08 0.00 0.00 32.23 34.51 1bld h LYS 138 CO 0.06 0.00 0.30 0.95 -0.57 0.00 0.00 179.45 180.19 1bld s THR 139 N -3.25 3.15 0.00 -0.16 -4.23 -1.16 -5.00 115.64 105.00 1bld s THR 139 Ca 0.03 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1bld s THR 139 Cb 0.12 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1bld s THR 139 CO 0.76 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1bld n GLY 140 N -1.21 -0.40 3.31 3.99 0.00 -1.26 -4.74 105.19 104.88 1bld n GLY 140 Ca 0.08 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -1.83 -2.86 0.00 1.61 0.04 -1.26 -3.26 135.00 127.44 1bld s PRO 141 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1bld s PRO 141 Cb 0.00 -1.38 0.00 0.00 0.04 0.00 0.00 34.50 33.16 1bld s PRO 141 CO 0.00 -4.83 0.00 0.41 0.04 0.00 0.00 177.00 172.62 1bld n GLY 142 N 1.30 1.33 3.70 0.56 0.00 -1.26 -4.90 105.19 105.92 1bld n GLY 142 Ca 0.12 0.00 -0.40 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 0.00 4.37 0.00 1.61 -0.21 -1.20 -4.92 119.66 119.31 1bld s GLN 143 Ca 0.00 0.78 0.23 0.00 0.02 0.00 0.00 55.36 56.39 1bld s GLN 143 Cb 0.00 -3.48 1.29 0.00 1.00 0.00 0.00 33.01 31.81 1bld s GLN 143 CO 0.00 -0.02 1.77 1.63 -2.12 0.00 0.00 175.29 176.55 1bld n LYS 144 N 4.15 0.54 0.00 2.91 5.02 -1.26 -3.35 118.16 126.17 1bld n LYS 144 Ca -0.02 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1bld n LYS 144 Cb 0.51 -1.50 0.00 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 -1.14 1.29 0.75 7.82 0.00 -1.26 -0.12 120.51 127.85 1bld n ALA 145 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1bld n ALA 145 Cb 0.13 -0.96 0.23 0.00 0.00 0.00 0.00 19.45 18.85 1bld n ALA 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bld n ILE 146 N -1.13 0.27 -3.08 0.00 -5.35 -1.21 -4.43 119.36 104.43 1bld n ILE 146 Ca 0.00 -0.57 -0.43 0.00 -0.27 0.00 0.00 62.75 61.48 1bld n ILE 146 Cb 0.01 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 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 -1.69 4.45 0.32 7.28 1.43 0.82 -3.87 118.68 127.43 1bld s LEU 147 Ca 0.35 -0.30 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1bld s LEU 147 Cb 0.21 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1bld s LEU 147 CO 0.31 -0.81 -0.01 -0.36 0.23 0.00 0.00 176.35 175.70 1bld s PHE 148 N 2.92 2.54 -0.40 0.29 0.40 -1.13 -3.38 117.98 119.22 1bld s PHE 148 Ca 0.24 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1bld s PHE 148 Cb -0.14 -1.40 0.23 0.00 0.51 0.00 0.00 43.02 42.22 1bld s PHE 148 CO 0.20 0.52 0.49 -0.11 0.70 0.00 0.00 175.22 177.02 1bld n LEU 149 N -0.91 -0.12 -4.63 -0.37 7.94 -0.79 -2.23 117.00 115.88 1bld n LEU 149 Ca -0.05 -4.55 -0.42 0.00 -1.11 0.00 0.00 56.01 49.88 1bld n LEU 149 Cb 0.62 0.63 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.42 2.02 1.71 -2.84 -1.11 0.00 0.00 177.39 177.59 1bld s PRO 150 N -0.81 3.65 -0.25 1.96 0.02 -1.26 -3.58 135.00 134.72 1bld s PRO 150 Ca 0.34 2.30 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 1bld s PRO 150 Cb 0.14 -4.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.36 1bld s PRO 150 CO -0.13 -1.51 0.30 -1.64 -0.33 0.00 0.00 177.00 173.69 1bld s MET 151 N 5.36 4.04 0.31 5.54 -1.94 -0.40 -4.89 119.30 127.32 1bld s MET 151 Ca 0.93 -0.06 -0.29 0.00 -1.71 0.00 0.00 55.69 54.56 1bld s MET 151 Cb -0.37 -3.61 -0.10 0.00 2.01 0.00 0.00 34.83 32.75 1bld s MET 151 CO 0.38 -0.15 1.22 0.45 -0.01 0.00 0.00 175.02 176.91 1bld s SER 152 N 1.45 6.98 -1.04 3.03 0.15 -1.26 -1.71 113.70 121.30 1bld s SER 152 Ca 0.13 2.51 -0.07 0.00 0.70 0.00 0.00 55.95 59.22 1bld s SER 152 Cb -0.15 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 1bld s SER 152 CO 0.09 -0.37 2.89 0.00 1.20 0.00 0.00 173.24 177.04 1bld n ALA 153 N 1.00 6.94 -1.00 5.45 0.00 -1.19 -4.74 120.51 126.98 1bld n ALA 153 Ca -0.00 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1bld n ALA 153 Cb 0.43 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 2.37 0.00 0.00 0.00 5.02 -1.26 -4.96 118.16 119.33 1bld n LYS 154 Ca 0.62 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 1bld n LYS 154 Cb 0.42 -0.66 0.42 0.00 -0.02 0.00 0.00 35.03 35.19 1bld n LYS 154 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33