#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 -3.08 -5.12 0.00 -1.26 -4.90 120.51 106.15 1bld n ALA 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1bld n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -3.74 0.00 0.00 1.02 -1.26 -4.43 120.64 112.24 1bld n GLU 3 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1bld n GLU 3 Cb 0.00 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.00 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 -1.25 -2.73 3.12 0.62 0.00 -1.26 -4.98 105.19 98.71 1bld n GLY 4 Ca -0.08 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.17 -3.44 -1.49 1.61 4.71 -1.26 -4.65 120.64 115.95 1bld n GLU 5 Ca 0.00 -1.02 -0.39 0.00 -0.01 0.00 0.00 57.16 55.75 1bld n GLU 5 Cb 0.00 -1.70 -0.06 0.00 -1.01 0.00 0.00 31.44 28.67 1bld n GLU 5 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1bld n ILE 6 N -5.07 1.95 -3.00 -3.67 -5.35 -1.26 -4.91 119.36 98.05 1bld n ILE 6 Ca 0.09 -1.82 -0.29 0.00 -0.27 0.00 0.00 62.75 60.46 1bld n ILE 6 Cb 0.47 -2.28 -0.02 0.00 -1.74 0.00 0.00 39.64 36.06 1bld n ILE 6 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1bld s THR 7 N 6.82 4.91 -1.63 7.28 -4.23 -1.26 -4.84 115.64 122.68 1bld s THR 7 Ca 0.60 0.27 0.24 0.00 -1.18 0.00 0.00 61.69 61.63 1bld s THR 7 Cb 0.09 -3.77 0.51 0.00 1.34 0.00 0.00 72.50 70.68 1bld s THR 7 CO 0.12 -0.53 1.80 0.35 -0.54 0.00 0.00 174.62 175.82 1bld n THR 8 N -1.42 0.17 -1.43 3.99 -2.24 -1.26 -5.00 114.28 107.09 1bld n THR 8 Ca 0.00 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1bld n THR 8 Cb 0.54 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bld n LEU 9 N -1.19 -1.09 -4.61 3.22 4.32 -1.26 -4.52 117.00 111.88 1bld n LEU 9 Ca 0.14 2.36 -0.47 0.00 -0.02 0.00 0.00 56.01 58.03 1bld n LEU 9 Cb 0.15 -3.02 -0.05 0.00 -1.62 0.00 0.00 43.42 38.89 1bld n LEU 9 CO 0.17 -1.79 1.67 -2.65 -1.22 0.00 0.00 177.39 173.57 1bld n PRO 10 N -3.99 1.97 -1.14 3.23 -0.01 -1.26 -4.90 135.00 128.89 1bld n PRO 10 Ca -0.07 0.65 0.00 0.00 -0.01 0.00 0.00 63.50 64.06 1bld n PRO 10 Cb 0.61 -2.82 0.00 0.00 -0.01 0.00 0.00 33.50 31.29 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld n ALA 11 N 8.86 0.00 -3.18 3.55 0.00 -1.26 -5.11 120.51 123.37 1bld n ALA 11 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1bld n ALA 11 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1bld n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bld n LEU 12 N 0.00 0.12 0.00 0.00 0.00 -1.26 -5.12 117.00 110.74 1bld n LEU 12 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 56.01 51.34 1bld n LEU 12 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 43.42 44.07 1bld n LEU 12 CO 0.00 2.08 0.00 -0.81 0.00 0.00 0.00 177.39 178.66 1bld n PRO 13 N 1.35 -0.39 -0.95 1.96 -0.05 -1.26 -4.73 135.00 130.93 1bld n PRO 13 Ca 0.21 0.00 -0.19 0.00 -0.05 0.00 0.00 63.50 63.47 1bld n PRO 13 Cb 0.54 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.89 1bld n PRO 13 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1bld n GLU 14 N -0.97 2.25 0.00 0.54 1.02 -1.26 -4.56 120.64 117.66 1bld n GLU 14 Ca 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 1bld n GLU 14 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 1bld n GLU 14 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1bld n ASP 15 N 3.05 1.51 -4.64 1.62 -0.08 -1.26 -4.87 116.55 111.88 1bld n ASP 15 Ca 0.48 -1.47 -0.54 0.00 -1.51 0.00 0.00 54.79 51.74 1bld n ASP 15 Cb 0.55 -0.37 -0.07 0.00 2.34 0.00 0.00 41.12 43.58 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bld n GLY 16 N 0.39 0.62 2.43 0.27 0.00 -1.26 -4.89 105.19 102.75 1bld n GLY 16 Ca 0.00 0.80 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 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 3.20 1.64 2.53 -0.02 0.00 -1.26 -4.94 105.19 106.34 1bld n GLY 17 Ca 0.22 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 1.59 7.83 0.00 1.61 3.41 -1.26 -4.61 113.62 122.18 1bld n SER 18 Ca 0.17 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.46 1bld n SER 18 Cb 0.57 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 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 1.16 -2.32 1.99 5.00 0.00 -1.26 -5.01 105.19 104.76 1bld n GLY 19 Ca 0.58 0.80 -0.02 0.00 0.00 0.00 0.00 46.02 47.38 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 -2.11 3.03 -3.84 4.61 0.00 -1.26 -5.03 120.51 115.91 1bld n ALA 20 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 51.71 1bld n ALA 20 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.57 -1.78 -0.68 0.00 -1.74 -1.26 -4.88 117.46 106.54 1bld n PHE 21 Ca -0.13 0.60 -0.29 0.00 -0.56 0.00 0.00 57.45 57.08 1bld n PHE 21 Cb 0.85 -2.63 0.23 0.00 1.52 0.00 0.00 39.48 39.45 1bld n PHE 21 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 1bld s PRO 22 N -5.53 -0.49 -0.22 3.97 0.02 -1.26 -4.83 135.00 126.67 1bld s PRO 22 Ca 0.12 0.85 -0.31 0.00 0.02 0.00 0.00 61.00 61.68 1bld s PRO 22 Cb -0.07 -1.60 -0.08 0.00 0.02 0.00 0.00 34.50 32.77 1bld s PRO 22 CO 0.88 -3.44 2.17 -2.30 -0.33 0.00 0.00 177.00 173.98 1bld n PRO 23 N -4.72 1.82 0.00 5.54 -0.01 -1.26 -4.49 135.00 131.88 1bld n PRO 23 Ca 0.04 0.53 0.00 0.00 -0.01 0.00 0.00 63.50 64.06 1bld n PRO 23 Cb 0.55 -2.97 0.00 0.00 -0.01 0.00 0.00 33.50 31.07 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bld n GLY 24 N 5.77 0.43 0.00 -1.23 0.00 -1.26 -4.95 105.19 103.95 1bld n GLY 24 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1bld n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bld n HIS 25 N 0.00 0.00 0.17 1.61 8.25 -1.26 -4.83 115.22 119.16 1bld n HIS 25 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1bld n HIS 25 Cb 0.16 0.05 0.25 0.00 1.12 0.00 0.00 29.99 31.57 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1bld n PHE 26 N 0.00 0.83 1.78 4.41 3.01 -1.26 -4.10 117.46 122.13 1bld n PHE 26 Ca 0.00 -0.39 0.02 0.00 1.01 0.00 0.00 57.45 58.09 1bld n PHE 26 Cb 0.48 -0.05 0.07 0.00 -0.01 0.00 0.00 39.48 39.98 1bld n PHE 26 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1bld n LYS 27 N 1.03 1.17 -3.75 -1.08 2.85 -1.26 -4.79 118.16 112.33 1bld n LYS 27 Ca 0.19 -0.26 -0.13 0.00 -1.05 0.00 0.00 58.31 57.05 1bld n LYS 27 Cb 0.52 -1.08 -0.09 0.00 -0.65 0.00 0.00 35.03 33.74 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bld s ASP 28 N -1.05 -0.21 1.29 -5.58 1.01 -1.26 -5.14 116.67 105.73 1bld s ASP 28 Ca 0.07 0.12 -0.19 0.00 0.71 0.00 0.00 52.55 53.26 1bld s ASP 28 Cb 0.03 0.33 0.30 0.00 1.01 0.00 0.00 42.92 44.59 1bld s ASP 28 CO 0.05 -0.45 0.71 -2.65 0.21 0.00 0.00 175.17 173.04 1bld n PRO 29 N 1.29 -3.52 -4.14 8.23 -0.01 -1.26 -4.74 135.00 130.86 1bld n PRO 29 Ca -0.21 -1.03 -0.14 0.00 -0.01 0.00 0.00 63.50 62.10 1bld n PRO 29 Cb 0.56 -1.87 -0.07 0.00 -0.01 0.00 0.00 33.50 32.12 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 -4.42 1.64 -0.17 -0.52 1.02 -1.00 -3.26 119.74 113.03 1bld s LYS 30 Ca 0.61 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1bld s LYS 30 Cb -0.14 0.38 0.03 0.00 -0.52 0.00 0.00 37.83 37.58 1bld s LYS 30 CO 0.55 -0.63 -0.11 1.03 -0.92 0.00 0.00 175.35 175.27 1bld s ARG 31 N -3.58 2.04 -0.65 1.68 0.52 -0.37 -3.10 118.95 115.49 1bld s ARG 31 Ca 0.34 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.67 1bld s ARG 31 Cb 0.02 -2.17 0.05 0.00 0.52 0.00 0.00 34.95 33.37 1bld s ARG 31 CO 0.18 -0.33 1.06 -0.51 0.02 0.00 0.00 175.30 175.72 1bld s LEU 32 N 1.49 3.91 -0.30 2.53 1.43 -1.26 -2.00 118.68 124.48 1bld s LEU 32 Ca 0.02 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 1bld s LEU 32 Cb -0.14 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1bld s LEU 32 CO -0.09 -1.50 0.45 -0.47 0.23 0.00 0.00 176.35 174.97 1bld s TYR 33 N 4.55 3.23 -0.70 0.29 5.04 -1.24 -2.61 117.35 125.89 1bld s TYR 33 Ca 0.29 0.34 -0.24 0.00 -2.44 0.00 0.00 57.07 55.03 1bld s TYR 33 Cb -0.13 -2.73 0.06 0.00 0.35 0.00 0.00 41.96 39.52 1bld s TYR 33 CO 0.15 -0.36 1.09 0.00 -1.34 0.00 0.00 175.55 175.09 1bld h LYS 35 N 9.70 0.38 -6.24 0.00 3.64 -1.85 -1.11 116.57 121.10 1bld h LYS 35 Ca -0.26 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.56 1bld h LYS 35 Cb 1.06 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1bld h LYS 35 CO 1.22 0.25 1.23 -0.80 -2.27 0.00 0.00 179.45 179.08 1bld s ASN 36 N -5.57 5.80 0.00 4.20 0.01 -1.26 -2.39 114.94 115.73 1bld s ASN 36 Ca -0.08 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 1bld s ASN 36 Cb 0.23 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1bld s ASN 36 CO 0.79 -1.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.08 1bld n GLY 37 N 5.43 0.75 3.20 0.66 0.00 -1.26 -4.36 105.19 109.62 1bld n GLY 37 Ca 0.18 0.00 -0.18 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 -2.40 -0.70 2.88 -0.02 0.00 -0.50 -5.00 105.19 99.45 1bld n GLY 38 Ca 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.57 -0.08 -0.27 1.61 0.08 -0.74 -4.63 117.98 112.39 1bld s PHE 39 Ca 0.21 0.29 -0.17 0.00 0.12 0.00 0.00 56.93 57.38 1bld s PHE 39 Cb -0.03 -0.10 -0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1bld s PHE 39 CO 0.61 -0.11 0.47 -0.06 -0.10 0.00 0.00 175.22 176.03 1bld s PHE 40 N 0.84 3.25 0.30 0.36 0.40 -0.99 -0.09 117.98 122.05 1bld s PHE 40 Ca -0.07 0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 56.51 1bld s PHE 40 Cb -0.09 -2.68 -0.13 0.00 0.51 0.00 0.00 43.02 40.63 1bld s PHE 40 CO -0.03 -0.28 1.25 -0.11 0.70 0.00 0.00 175.22 176.75 1bld n LEU 41 N 5.48 3.03 -3.68 -0.37 7.94 -1.07 -1.67 117.00 126.65 1bld n LEU 41 Ca -0.06 1.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.91 1bld n LEU 41 Cb 0.50 -1.42 -0.13 0.00 0.53 0.00 0.00 43.42 42.90 1bld n LEU 41 CO 0.39 -0.70 -0.11 -0.60 -1.11 0.00 0.00 177.39 175.27 1bld s ARG 42 N -1.45 0.19 -0.30 1.96 3.52 0.10 -4.61 118.95 118.37 1bld s ARG 42 Ca 0.59 0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 56.73 1bld s ARG 42 Cb -0.62 -0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 32.71 1bld s ARG 42 CO 0.59 -0.24 0.47 0.42 -0.81 0.00 0.00 175.30 175.73 1bld s ILE 43 N 2.02 5.09 0.57 4.11 1.01 -1.26 -2.29 121.20 130.45 1bld s ILE 43 Ca -0.03 0.57 -0.19 0.00 0.00 0.00 0.00 60.65 61.01 1bld s ILE 43 Cb -0.11 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1bld s ILE 43 CO -0.09 -0.00 1.13 -1.00 0.00 0.00 0.00 174.94 174.98 1bld s HIS 44 N 2.26 2.63 0.61 3.97 3.76 -0.42 -4.75 115.29 123.34 1bld s HIS 44 Ca 0.18 1.54 0.33 0.00 -0.15 0.00 0.00 55.06 56.96 1bld s HIS 44 Cb -0.16 -3.29 1.91 0.00 1.11 0.00 0.00 32.58 32.16 1bld s HIS 44 CO 0.11 -1.66 2.23 -1.00 -0.85 0.00 0.00 174.74 173.57 1bld h PRO 45 N 0.96 0.00 0.00 8.40 0.13 -1.95 0.79 132.00 140.34 1bld h PRO 45 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1bld h PRO 45 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bld h PRO 45 CO 0.56 0.00 -0.20 0.38 -0.23 0.00 0.00 178.00 178.51 1bld h ASP 46 N 0.00 0.00 0.00 1.44 3.04 -1.98 -3.47 116.42 115.44 1bld h ASP 46 Ca 0.02 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1bld h ASP 46 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 1bld h ASP 46 CO -0.00 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.84 1bld n GLY 47 N 1.29 1.57 3.54 7.15 0.00 0.27 -4.97 105.19 114.05 1bld n GLY 47 Ca 0.05 -0.45 -0.56 0.00 0.00 0.00 0.00 46.02 45.05 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 0.88 -3.75 1.61 1.74 -1.26 -3.85 116.66 112.03 1bld n ARG 48 Ca 0.00 0.29 -0.35 0.00 -0.77 0.00 0.00 57.85 57.01 1bld n ARG 48 Cb 0.00 -2.10 -0.05 0.00 -1.02 0.00 0.00 32.46 29.29 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bld s VAL 49 N 5.26 5.30 0.00 1.55 1.01 -1.26 -1.31 120.40 130.96 1bld s VAL 49 Ca 1.06 0.26 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1bld s VAL 49 Cb -1.09 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1bld s VAL 49 CO 0.61 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 175.24 1bld n ASP 50 N 1.35 0.00 -3.83 3.32 5.75 -0.97 -4.63 116.55 117.54 1bld n ASP 50 Ca -0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.55 1bld n ASP 50 Cb 0.53 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N -0.01 0.01 -0.08 6.12 0.00 -1.21 -0.72 107.32 111.43 1bld s GLY 51 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 1bld s GLY 51 CO 0.00 -0.51 0.21 -1.34 0.00 0.00 0.00 173.10 171.46 1bld s VAL 52 N -2.97 -0.00 -2.00 1.40 -7.23 -0.67 -4.84 120.40 104.08 1bld s VAL 52 Ca -0.02 0.01 0.09 0.00 -1.81 0.00 0.00 61.98 60.26 1bld s VAL 52 Cb 0.01 -0.30 0.26 0.00 0.56 0.00 0.00 36.38 36.91 1bld s VAL 52 CO -0.06 0.01 1.22 0.54 -0.31 0.00 0.00 175.10 176.49 1bld n ARG 53 N 3.08 0.83 -3.16 4.82 1.74 -1.26 -2.35 116.66 120.36 1bld n ARG 53 Ca -0.14 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.50 1bld n ARG 53 Cb 0.58 -1.17 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 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 -2.00 3.08 0.00 5.56 2.56 -1.26 -4.87 118.70 121.77 1bld s GLU 54 Ca 0.14 -1.09 0.13 0.00 0.00 0.00 0.00 54.97 54.15 1bld s GLU 54 Cb 0.06 -4.16 0.68 0.00 2.00 0.00 0.00 34.13 32.71 1bld s GLU 54 CO 0.11 -1.32 1.45 0.36 -0.56 0.00 0.00 175.26 175.29 1bld n LYS 55 N 6.15 1.13 -0.14 4.30 2.85 -1.26 -3.25 118.16 127.94 1bld n LYS 55 Ca -0.08 -0.19 0.08 0.00 -1.05 0.00 0.00 58.31 57.07 1bld n LYS 55 Cb 0.44 -1.21 0.26 0.00 -0.65 0.00 0.00 35.03 33.87 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 -0.50 1.91 -4.55 -5.58 2.88 -1.26 -4.18 113.62 102.34 1bld n SER 56 Ca 0.10 -1.87 -0.42 0.00 -1.33 0.00 0.00 58.87 55.35 1bld n SER 56 Cb 0.09 -0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.27 6.33 0.00 -3.46 1.01 -1.20 -4.83 116.67 113.25 1bld s ASP 57 Ca 0.29 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.46 1bld s ASP 57 Cb 0.15 -2.29 0.13 0.00 1.01 0.00 0.00 42.92 41.93 1bld s ASP 57 CO 0.22 -0.57 0.51 -0.81 0.21 0.00 0.00 175.17 174.73 1bld n PRO 58 N 5.89 0.09 0.16 8.23 -0.05 -1.26 -1.38 135.00 146.68 1bld n PRO 58 Ca -0.04 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.52 1bld n PRO 58 Cb 0.48 -1.37 0.08 0.00 -0.05 0.00 0.00 33.50 32.65 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1bld h HIS 59 N 0.00 0.00 0.00 0.54 3.86 -1.96 -3.21 115.15 114.38 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 0.05 0.00 0.44 0.86 0.00 0.00 177.93 179.28 1bld n ILE 60 N -2.92 0.00 -2.86 2.45 -5.35 -0.48 -4.40 119.36 105.80 1bld n ILE 60 Ca 0.02 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.06 1bld n ILE 60 Cb 0.56 -0.70 -0.02 0.00 -1.74 0.00 0.00 39.64 37.74 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 3.72 -0.02 6.28 1.02 -1.21 -4.49 119.74 123.03 1bld s LYS 61 Ca 0.28 -1.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.25 1bld s LYS 61 Cb 0.13 -5.05 -0.05 0.00 -0.52 0.00 0.00 37.83 32.34 1bld s LYS 61 CO 0.22 -1.86 0.53 -0.51 -0.92 0.00 0.00 175.35 172.80 1bld s LEU 62 N 2.90 4.41 -0.31 3.17 1.43 -1.18 -2.93 118.68 126.16 1bld s LEU 62 Ca 0.38 1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 54.33 1bld s LEU 62 Cb -0.03 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1bld s LEU 62 CO -0.07 0.14 0.60 -1.58 0.23 0.00 0.00 176.35 175.67 1bld s GLN 63 N -0.25 3.86 0.40 1.70 0.74 0.26 -2.38 119.66 123.98 1bld s GLN 63 Ca 0.28 0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.87 1bld s GLN 63 Cb -0.17 -3.74 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 1bld s GLN 63 CO 0.15 -0.57 0.66 -0.51 -0.55 0.00 0.00 175.29 174.47 1bld s LEU 64 N 2.55 3.85 -0.08 3.68 1.02 -1.26 -0.80 118.68 127.65 1bld s LEU 64 Ca 0.24 0.74 -0.07 0.00 0.02 0.00 0.00 54.13 55.06 1bld s LEU 64 Cb -0.15 -3.64 0.02 0.00 0.02 0.00 0.00 46.19 42.45 1bld s LEU 64 CO 0.12 -0.40 0.20 -1.58 0.02 0.00 0.00 176.35 174.71 1bld s GLN 65 N -4.32 0.22 0.36 1.70 0.74 0.43 -4.94 119.66 113.85 1bld s GLN 65 Ca 0.44 0.30 -0.03 0.00 0.05 0.00 0.00 55.36 56.12 1bld s GLN 65 Cb -0.10 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 1bld s GLN 65 CO 0.38 -0.04 0.61 0.00 -0.55 0.00 0.00 175.29 175.69 1bld s ALA 66 N 0.24 3.60 0.00 1.58 0.00 -1.26 0.58 121.76 126.49 1bld s ALA 66 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1bld s ALA 66 Cb -0.02 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1bld s ALA 66 CO -0.01 0.00 0.00 0.39 0.00 0.00 0.00 175.76 176.14 1bld n GLU 67 N -1.58 0.00 0.00 0.00 -0.58 -0.91 -4.81 120.64 112.77 1bld n GLU 67 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1bld n GLU 67 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bld n GLU 68 N 0.00 2.25 -2.93 3.49 1.02 -1.26 -4.93 120.64 118.29 1bld n GLU 68 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1bld n GLU 68 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1bld n GLU 68 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bld s ARG 69 N 0.72 3.25 0.00 3.49 0.52 -1.26 -3.65 118.95 122.02 1bld s ARG 69 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1bld s ARG 69 Cb 0.00 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.38 1bld s ARG 69 CO 0.00 -1.45 0.00 0.41 0.02 0.00 0.00 175.30 174.28 1bld n GLY 70 N 5.16 1.03 3.79 -3.53 0.00 -1.26 -5.04 105.19 105.34 1bld n GLY 70 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N -2.46 5.01 -0.05 1.61 1.01 -1.24 -3.53 120.40 120.75 1bld s VAL 71 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 1bld s VAL 71 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1bld s VAL 71 CO 0.00 0.49 0.10 0.68 0.00 0.00 0.00 175.10 176.37 1bld s VAL 72 N -0.51 -0.10 -0.14 2.92 -7.23 -1.26 -2.14 120.40 111.96 1bld s VAL 72 Ca 0.26 0.26 -0.15 0.00 -1.81 0.00 0.00 61.98 60.54 1bld s VAL 72 Cb -0.17 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1bld s VAL 72 CO 0.14 0.11 0.35 -0.44 -0.31 0.00 0.00 175.10 174.95 1bld s SER 73 N 1.47 6.53 0.22 4.85 0.01 0.20 -3.39 113.70 123.59 1bld s SER 73 Ca -0.05 0.63 -0.06 0.00 1.31 0.00 0.00 55.95 57.78 1bld s SER 73 Cb -0.12 -2.22 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 1bld s SER 73 CO -0.05 0.09 0.48 -0.63 0.41 0.00 0.00 173.24 173.54 1bld s ILE 74 N 0.38 5.06 -0.07 1.44 1.01 -1.26 -0.43 121.20 127.33 1bld s ILE 74 Ca 0.20 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.83 1bld s ILE 74 Cb -0.14 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.70 1bld s ILE 74 CO 0.06 -0.12 0.34 -0.75 0.00 0.00 0.00 174.94 174.47 1bld s LYS 75 N -3.04 0.57 0.13 2.79 2.20 0.02 -3.95 119.74 118.46 1bld s LYS 75 Ca 0.43 0.13 -0.24 0.00 -0.36 0.00 0.00 55.97 55.93 1bld s LYS 75 Cb -0.11 0.26 -0.07 0.00 -1.51 0.00 0.00 37.83 36.40 1bld s LYS 75 CO 0.26 -0.13 0.74 0.20 -0.36 0.00 0.00 175.35 176.06 1bld s GLY 76 N -0.65 2.86 -0.05 5.54 0.00 -0.17 0.91 107.32 115.76 1bld s GLY 76 Ca -0.07 0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.88 1bld s GLY 76 CO 0.03 0.85 0.31 -2.08 0.00 0.00 0.00 173.10 172.20 1bld h VAL 77 N 3.51 0.00 -0.04 1.40 2.07 -1.85 -1.43 116.25 119.91 1bld h VAL 77 Ca -0.47 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1bld h VAL 77 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1bld h VAL 77 CO 0.66 0.00 -0.26 -1.28 0.02 0.00 0.00 177.57 176.72 1bld h SER 78 N -0.84 0.30 0.26 0.57 0.87 -1.84 -3.11 113.55 109.76 1bld h SER 78 Ca -0.02 -0.68 -0.02 0.00 -1.23 0.00 0.00 61.79 59.83 1bld h SER 78 Cb 0.17 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1bld h SER 78 CO 0.04 0.93 -0.12 0.00 -0.53 0.00 0.00 176.83 177.15 1bld h ALA 79 N 0.38 1.43 -6.31 6.23 0.00 -1.86 -3.46 119.26 115.67 1bld h ALA 79 Ca -0.02 -0.11 -0.46 0.00 0.00 0.00 0.00 54.91 54.32 1bld h ALA 79 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bld h ALA 79 CO 0.05 0.15 -0.86 0.09 0.00 0.00 0.00 179.25 178.68 1bld n ASN 80 N -3.86 -0.79 -3.93 0.00 4.13 -0.54 -4.95 115.26 105.32 1bld n ASN 80 Ca -0.02 -0.92 -0.10 0.00 1.68 0.00 0.00 54.58 55.22 1bld n ASN 80 Cb 0.21 -3.52 -0.10 0.00 -1.54 0.00 0.00 39.78 34.82 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bld s ARG 81 N -6.29 0.39 -0.12 3.52 0.52 -1.24 -4.69 118.95 111.03 1bld s ARG 81 Ca 0.02 -0.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 1bld s ARG 81 Cb -0.01 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 1bld s ARG 81 CO 0.85 -0.08 0.46 0.71 0.02 0.00 0.00 175.30 177.26 1bld s TYR 82 N -1.44 3.51 0.62 -0.53 1.51 0.11 -1.00 117.35 120.13 1bld s TYR 82 Ca -0.15 0.86 -0.18 0.00 -1.01 0.00 0.00 57.07 56.58 1bld s TYR 82 Cb -0.09 -2.53 -0.02 0.00 -0.11 0.00 0.00 41.96 39.21 1bld s TYR 82 CO 0.00 0.18 1.20 -1.17 -1.11 0.00 0.00 175.55 174.65 1bld s LEU 83 N 0.60 3.59 0.18 -1.29 2.96 -1.25 -1.87 118.68 121.59 1bld s LEU 83 Ca 0.25 2.37 -0.11 0.00 -0.22 0.00 0.00 54.13 56.41 1bld s LEU 83 Cb -0.15 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 41.95 1bld s LEU 83 CO 0.10 -1.71 0.36 0.00 -1.32 0.00 0.00 176.35 173.77 1bld s ALA 84 N -1.70 -0.25 -0.04 5.97 0.00 -0.17 -4.41 121.76 121.16 1bld s ALA 84 Ca 0.76 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1bld s ALA 84 Cb -0.30 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 1bld s ALA 84 CO 0.36 -0.71 -0.16 1.41 0.00 0.00 0.00 175.76 176.66 1bld s MET 85 N -3.95 1.70 0.72 0.00 1.75 -1.11 -2.30 119.30 116.11 1bld s MET 85 Ca 0.16 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 1bld s MET 85 Cb 0.02 -1.48 0.13 0.00 2.84 0.00 0.00 34.83 36.34 1bld s MET 85 CO 0.00 0.21 0.99 0.15 -0.65 0.00 0.00 175.02 175.73 1bld s LYS 86 N 0.10 1.67 0.11 4.11 -0.14 -0.55 -4.91 119.74 120.14 1bld s LYS 86 Ca -0.05 -1.19 -0.02 0.00 -1.36 0.00 0.00 55.97 53.36 1bld s LYS 86 Cb -0.12 -2.35 -0.17 0.00 -1.68 0.00 0.00 37.83 33.52 1bld s LYS 86 CO 0.02 -1.45 1.25 0.93 -0.76 0.00 0.00 175.35 175.34 1bld h GLU 87 N -0.50 0.26 0.00 1.68 5.08 -2.01 -3.02 114.58 116.06 1bld h GLU 87 Ca -0.35 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1bld h GLU 87 Cb 1.27 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1bld h GLU 87 CO 0.39 1.11 0.00 -0.40 -1.00 0.00 0.00 179.01 179.11 1bld n ASP 88 N -3.60 0.00 0.00 1.42 5.68 -1.26 -4.79 116.55 114.00 1bld n ASP 88 Ca -0.06 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 1bld n ASP 88 Cb 0.92 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 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 0.14 0.73 3.65 6.12 0.00 -1.14 -4.78 105.19 109.92 1bld n GLY 89 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.62 4.20 -0.07 1.61 0.52 -1.26 -3.38 118.95 119.94 1bld s ARG 90 Ca 0.00 1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 56.29 1bld s ARG 90 Cb 0.00 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 1bld s ARG 90 CO 0.00 -0.69 0.41 -0.51 0.02 0.00 0.00 175.30 174.53 1bld s LEU 91 N 3.28 4.36 0.17 2.53 1.02 -1.26 -1.48 118.68 127.30 1bld s LEU 91 Ca 0.43 0.82 -0.10 0.00 0.02 0.00 0.00 54.13 55.30 1bld s LEU 91 Cb -0.14 -2.58 -0.00 0.00 0.02 0.00 0.00 46.19 43.49 1bld s LEU 91 CO 0.09 0.17 0.32 -1.48 0.02 0.00 0.00 176.35 175.46 1bld s LEU 92 N -0.17 0.85 0.21 1.79 0.05 -0.97 -4.55 118.68 115.88 1bld s LEU 92 Ca 0.23 -0.80 0.05 0.00 0.05 0.00 0.00 54.13 53.66 1bld s LEU 92 Cb -0.15 1.33 -0.04 0.00 -2.05 0.00 0.00 46.19 45.28 1bld s LEU 92 CO 0.10 -0.91 0.22 0.00 -0.55 0.00 0.00 176.35 175.22 1bld s ALA 93 N -3.95 3.70 -0.02 1.48 0.00 -1.25 -1.00 121.76 120.72 1bld s ALA 93 Ca 0.15 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 1bld s ALA 93 Cb 0.03 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.70 1bld s ALA 93 CO -0.01 0.36 0.33 0.45 0.00 0.00 0.00 175.76 176.90 1bld s SER 94 N -3.56 -0.22 0.23 0.00 0.15 -0.78 -4.91 113.70 104.61 1bld s SER 94 Ca 0.33 0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.18 1bld s SER 94 Cb -0.09 0.35 0.22 0.00 -1.71 0.00 0.00 66.02 64.78 1bld s SER 94 CO 0.26 -0.44 1.53 0.11 1.20 0.00 0.00 173.24 175.90 1bld h LYS 95 N 3.92 0.16 -6.09 5.44 1.57 -1.87 0.31 116.57 120.01 1bld h LYS 95 Ca -0.29 -0.12 -0.60 0.00 -1.87 0.00 0.00 60.65 57.77 1bld h LYS 95 Cb 1.18 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1bld h LYS 95 CO 0.39 0.77 -0.19 -1.12 -0.57 0.00 0.00 179.45 178.73 1bld s SER 96 N -6.88 6.78 0.56 0.86 0.01 -1.26 -4.66 113.70 109.11 1bld s SER 96 Ca -0.03 0.95 -0.15 0.00 1.31 0.00 0.00 55.95 58.03 1bld s SER 96 Cb 0.12 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 1bld s SER 96 CO 0.79 0.25 1.01 -0.69 0.41 0.00 0.00 173.24 175.02 1bld s VAL 97 N -1.22 4.50 0.06 3.43 1.01 -1.26 -4.79 120.40 122.13 1bld s VAL 97 Ca 0.28 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 63.23 1bld s VAL 97 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1bld s VAL 97 CO 0.16 -0.82 0.20 0.42 0.00 0.00 0.00 175.10 175.05 1bld s THR 98 N -2.80 0.12 0.55 3.92 -4.23 -1.26 -5.00 115.64 106.94 1bld s THR 98 Ca 0.58 -1.00 0.38 0.00 -1.18 0.00 0.00 61.69 60.47 1bld s THR 98 Cb -0.11 -1.07 0.56 0.00 1.34 0.00 0.00 72.50 73.22 1bld s THR 98 CO 0.40 -0.55 1.77 0.44 -0.54 0.00 0.00 174.62 176.14 1bld h ASP 99 N 3.19 0.00 -1.53 3.99 5.19 -2.01 -0.94 116.42 124.31 1bld h ASP 99 Ca -0.33 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.35 1bld h ASP 99 Cb 1.19 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.52 1bld h ASP 99 CO 0.51 0.00 1.61 -0.62 -3.12 0.00 0.00 179.24 177.62 1bld n GLU 100 N -4.11 4.38 0.00 3.56 1.02 -1.26 -4.11 120.64 120.11 1bld n GLU 100 Ca 0.27 -3.65 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 1bld n GLU 100 Cb 1.30 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 3.37 -0.22 0.00 0.40 -1.26 -4.29 117.98 115.98 1bld s PHE 102 Ca 0.00 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1bld s PHE 102 Cb 0.00 -1.56 0.12 0.00 0.51 0.00 0.00 43.02 42.09 1bld s PHE 102 CO 0.00 0.44 0.35 -0.06 0.70 0.00 0.00 175.22 176.64 1bld s PHE 103 N -2.02 -0.70 0.14 0.36 0.40 -1.22 -3.67 117.98 111.28 1bld s PHE 103 Ca 0.34 0.83 -0.31 0.00 -0.60 0.00 0.00 56.93 57.19 1bld s PHE 103 Cb -0.09 -0.01 -0.11 0.00 0.51 0.00 0.00 43.02 43.32 1bld s PHE 103 CO 0.28 -0.64 1.83 -0.06 0.70 0.00 0.00 175.22 177.33 1bld s PHE 104 N 2.51 2.25 -0.77 0.36 0.08 -0.21 -4.13 117.98 118.06 1bld s PHE 104 Ca 0.09 0.01 -0.17 0.00 0.12 0.00 0.00 56.93 56.98 1bld s PHE 104 Cb -0.15 -4.19 0.16 0.00 -0.57 0.00 0.00 43.02 38.27 1bld s PHE 104 CO -0.14 -4.86 0.84 -2.00 -0.10 0.00 0.00 175.22 168.96 1bld s GLU 105 N 2.49 3.41 -0.17 0.44 2.12 -1.23 -1.34 118.70 124.40 1bld s GLU 105 Ca 0.80 -1.90 -0.20 0.00 0.36 0.00 0.00 54.97 54.04 1bld s GLU 105 Cb -0.47 -4.51 -0.03 0.00 0.26 0.00 0.00 34.13 29.38 1bld s GLU 105 CO 0.36 -1.50 0.59 0.50 -0.54 0.00 0.00 175.26 174.67 1bld s ARG 106 N 1.68 4.25 -0.09 4.30 3.52 -0.70 -4.91 118.95 126.99 1bld s ARG 106 Ca 0.19 0.57 -0.17 0.00 -0.13 0.00 0.00 55.73 56.19 1bld s ARG 106 Cb -0.14 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 1bld s ARG 106 CO -0.04 -0.13 0.44 -1.17 -0.81 0.00 0.00 175.30 173.59 1bld s LEU 107 N 1.56 4.32 0.00 -0.88 2.96 -1.26 -1.22 118.68 124.16 1bld s LEU 107 Ca 0.28 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 1bld s LEU 107 Cb -0.16 -2.64 0.05 0.00 0.50 0.00 0.00 46.19 43.94 1bld s LEU 107 CO 0.11 0.09 0.32 -0.62 -1.32 0.00 0.00 176.35 174.93 1bld n GLU 108 N 3.23 0.47 0.00 1.98 1.02 -1.07 -4.99 120.64 121.27 1bld n GLU 108 Ca -0.09 -0.93 0.12 0.00 -0.02 0.00 0.00 57.16 56.24 1bld n GLU 108 Cb 0.52 -0.20 0.26 0.00 -0.02 0.00 0.00 31.44 32.00 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 -2.93 0.96 -1.62 1.62 7.64 -1.26 -3.87 113.62 114.15 1bld n SER 109 Ca 0.05 -0.76 -0.04 0.00 1.01 0.00 0.00 58.87 59.14 1bld n SER 109 Cb 0.20 0.28 0.22 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.93 3.97 0.00 6.43 4.13 -1.26 -4.84 115.26 122.76 1bld n ASN 110 Ca 0.09 -2.83 0.00 0.00 1.68 0.00 0.00 54.58 53.52 1bld n ASN 110 Cb 0.35 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bld n ASN 111 N -0.00 0.00 -4.71 6.41 3.02 -1.25 -4.91 115.26 113.81 1bld n ASN 111 Ca 0.28 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 1bld n ASN 111 Cb 1.07 -1.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.57 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 -1.44 3.48 0.56 3.10 2.02 -1.26 -4.91 117.35 118.89 1bld s TYR 112 Ca 0.00 0.87 -0.02 0.00 -0.37 0.00 0.00 57.07 57.55 1bld s TYR 112 Cb 0.00 -2.59 0.02 0.00 -0.40 0.00 0.00 41.96 38.99 1bld s TYR 112 CO 0.00 0.10 0.82 -0.80 -1.57 0.00 0.00 175.55 174.10 1bld s ASN 113 N 0.76 5.45 -0.06 2.29 -0.87 -1.04 -2.61 114.94 118.86 1bld s ASN 113 Ca 0.26 0.36 -0.02 0.00 -1.57 0.00 0.00 52.86 51.88 1bld s ASN 113 Cb -0.15 -1.34 0.04 0.00 -0.02 0.00 0.00 41.25 39.78 1bld s ASN 113 CO 0.10 -1.07 0.11 0.42 -2.57 0.00 0.00 177.10 174.09 1bld s THR 114 N -2.85 -0.15 -0.42 1.60 -4.23 -0.36 -2.54 115.64 106.69 1bld s THR 114 Ca 0.54 0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 61.19 1bld s THR 114 Cb -0.10 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.54 1bld s THR 114 CO 0.41 0.14 0.60 -0.31 -0.54 0.00 0.00 174.62 174.92 1bld s TYR 115 N 1.92 3.10 -0.13 3.99 2.02 -1.26 -1.71 117.35 125.26 1bld s TYR 115 Ca 0.00 -0.04 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1bld s TYR 115 Cb -0.12 -3.23 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1bld s TYR 115 CO -0.05 -0.79 0.15 1.03 -1.57 0.00 0.00 175.55 174.32 1bld s ARG 116 N 2.67 3.62 0.87 -0.62 0.52 -0.45 -2.42 118.95 123.14 1bld s ARG 116 Ca 0.21 -0.13 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 1bld s ARG 116 Cb -0.15 -3.24 0.12 0.00 0.52 0.00 0.00 34.95 32.20 1bld s ARG 116 CO 0.17 0.67 1.17 0.45 0.02 0.00 0.00 175.30 177.78 1bld n SER 117 N 2.31 0.66 -0.04 0.23 2.88 -1.06 -1.05 113.62 117.55 1bld n SER 117 Ca -0.19 0.50 -0.03 0.00 -1.33 0.00 0.00 58.87 57.82 1bld n SER 117 Cb 0.54 -1.49 -0.01 0.00 -0.75 0.00 0.00 64.21 62.50 1bld n SER 117 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bld n ARG 118 N -3.76 0.27 -0.09 -1.46 0.63 -1.24 -3.45 116.66 107.56 1bld n ARG 118 Ca 0.13 0.30 -0.06 0.00 -0.92 0.00 0.00 57.85 57.30 1bld n ARG 118 Cb 0.51 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.24 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 -0.56 0.02 -2.50 -0.14 1.63 -1.88 -3.07 116.57 110.08 1bld h LYS 119 Ca 0.00 -0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 59.10 1bld h LYS 119 Cb 0.39 -0.01 -0.35 0.00 -0.60 0.00 0.00 32.23 31.66 1bld h LYS 119 CO 0.00 0.02 0.08 0.66 -3.45 0.00 0.00 179.45 176.75 1bld n TYR 120 N -5.24 3.03 0.00 1.91 4.01 -1.26 -4.85 117.16 114.75 1bld n TYR 120 Ca 0.01 -3.39 0.00 0.00 -0.16 0.00 0.00 57.90 54.36 1bld n TYR 120 Cb 0.18 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 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 0.92 0.00 0.88 -0.72 -2.24 -1.16 -1.86 114.28 110.10 1bld n THR 121 Ca 0.29 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.13 1bld n THR 121 Cb 0.37 -0.72 0.15 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.72 1.88 -3.75 3.42 7.64 -1.26 -4.81 113.62 116.02 1bld n SER 122 Ca 0.00 -2.02 -0.13 0.00 1.01 0.00 0.00 58.87 57.73 1bld n SER 122 Cb 0.00 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 1bld n SER 122 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bld s TRP 123 N -1.55 -0.35 0.11 1.43 0.51 -0.78 -4.89 118.94 113.42 1bld s TRP 123 Ca 0.23 0.82 0.05 0.00 -2.12 0.00 0.00 56.10 55.09 1bld s TRP 123 Cb 0.12 0.13 -0.04 0.00 -0.81 0.00 0.00 33.47 32.87 1bld s TRP 123 CO 0.15 -0.22 -0.00 0.71 -0.51 0.00 0.00 176.95 177.08 1bld s TYR 124 N -0.07 2.96 0.14 -1.98 1.51 -1.26 -2.56 117.35 116.08 1bld s TYR 124 Ca -0.02 -0.05 -0.31 0.00 -1.01 0.00 0.00 57.07 55.68 1bld s TYR 124 Cb -0.03 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.23 1bld s TYR 124 CO 0.01 0.48 1.36 0.08 -1.11 0.00 0.00 175.55 176.38 1bld s VAL 125 N -1.38 3.28 0.25 0.71 1.01 -1.02 -4.81 120.40 118.45 1bld s VAL 125 Ca 0.26 0.95 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 1bld s VAL 125 Cb -0.11 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1bld s VAL 125 CO 0.18 0.09 0.36 0.00 0.00 0.00 0.00 175.10 175.73 1bld s ALA 126 N 0.81 0.43 0.21 5.51 0.00 -1.26 -4.57 121.76 122.90 1bld s ALA 126 Ca 0.62 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1bld s ALA 126 Cb -0.37 1.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1bld s ALA 126 CO 0.33 -0.75 -0.00 -0.51 0.00 0.00 0.00 175.76 174.82 1bld s LEU 127 N -3.11 2.17 0.00 0.00 1.43 -1.26 -3.75 118.68 114.16 1bld s LEU 127 Ca 0.30 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1bld s LEU 127 Cb 0.02 -0.21 0.04 0.00 0.03 0.00 0.00 46.19 46.06 1bld s LEU 127 CO 0.12 -0.52 0.27 0.29 0.23 0.00 0.00 176.35 176.74 1bld n LYS 128 N -0.37 0.47 0.02 1.70 5.02 0.61 -4.62 118.16 121.00 1bld n LYS 128 Ca -0.05 -0.77 0.11 0.00 -2.02 0.00 0.00 58.31 55.57 1bld n LYS 128 Cb 0.64 -0.17 0.08 0.00 -0.02 0.00 0.00 35.03 35.55 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N -1.50 0.20 -0.27 1.97 1.85 -1.26 -3.81 116.66 113.84 1bld n ARG 129 Ca 0.05 0.01 0.08 0.00 -1.00 0.00 0.00 57.85 56.99 1bld n ARG 129 Cb 0.17 -1.58 0.23 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.84 0.70 -0.77 8.89 5.66 -1.26 -4.87 114.28 120.78 1bld n THR 130 Ca 0.03 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1bld n THR 130 Cb 0.41 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 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 1.34 0.72 3.96 1.09 0.00 -1.25 -5.04 105.19 106.01 1bld n GLY 131 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.23 2.85 -0.26 1.61 -1.52 -1.26 -3.36 119.66 117.49 1bld s GLN 132 Ca 0.00 -0.54 -0.18 0.00 -1.95 0.00 0.00 55.36 52.69 1bld s GLN 132 Cb 0.00 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 30.26 1bld s GLN 132 CO 0.00 -0.49 0.50 1.52 -0.25 0.00 0.00 175.29 176.57 1bld s TYR 133 N -2.68 3.27 0.14 0.91 1.13 -1.26 -0.28 117.35 118.57 1bld s TYR 133 Ca 0.52 0.61 -0.31 0.00 -1.41 0.00 0.00 57.07 56.49 1bld s TYR 133 Cb -0.10 -2.70 -0.08 0.00 -1.10 0.00 0.00 41.96 37.98 1bld s TYR 133 CO 0.39 -0.27 1.34 0.21 -2.51 0.00 0.00 175.55 174.71 1bld s LYS 134 N 2.25 4.36 0.18 -3.49 2.20 -1.25 -4.83 119.74 119.16 1bld s LYS 134 Ca 0.21 2.03 -0.32 0.00 -0.36 0.00 0.00 55.97 57.53 1bld s LYS 134 Cb -0.16 -3.24 -0.16 0.00 -1.51 0.00 0.00 37.83 32.77 1bld s LYS 134 CO 0.09 -0.35 1.08 -0.11 -0.36 0.00 0.00 175.35 175.71 1bld n LEU 135 N 3.45 1.26 0.00 5.43 7.94 -1.26 -4.72 117.00 129.11 1bld n LEU 135 Ca 0.09 1.15 0.02 0.00 -1.11 0.00 0.00 56.01 56.16 1bld n LEU 135 Cb 0.43 -1.19 0.11 0.00 0.53 0.00 0.00 43.42 43.29 1bld n LEU 135 CO 0.58 -1.48 0.30 0.61 -1.11 0.00 0.00 177.39 176.28 1bld n GLY 136 N 1.87 -0.16 0.13 -3.96 0.00 -1.22 -1.83 105.19 100.03 1bld n GLY 136 Ca 0.15 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.86 1.93 0.00 1.61 3.41 -1.26 -3.98 113.62 114.47 1bld n SER 137 Ca 0.03 0.16 0.15 0.00 -0.26 0.00 0.00 58.87 58.95 1bld n SER 137 Cb 0.01 -0.66 0.78 0.00 -0.26 0.00 0.00 64.21 64.08 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 -3.38 0.50 -2.67 4.33 5.02 -0.76 -4.82 118.16 116.38 1bld n LYS 138 Ca -0.33 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.63 1bld n LYS 138 Cb 1.04 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.50 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 -2.50 4.05 0.00 -0.18 -4.23 -1.21 -5.01 115.64 106.56 1bld s THR 139 Ca 0.31 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 1bld s THR 139 Cb 0.20 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1bld s THR 139 CO 0.45 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1bld n GLY 140 N -0.36 -1.00 3.58 3.99 0.00 -1.26 -4.72 105.19 105.42 1bld n GLY 140 Ca 0.08 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -2.00 0.01 0.00 1.61 0.01 -1.26 -3.15 135.00 130.22 1bld s PRO 141 Ca 0.00 1.18 0.00 0.00 0.01 0.00 0.00 61.00 62.19 1bld s PRO 141 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 34.50 32.87 1bld s PRO 141 CO 0.00 -3.20 0.00 0.41 0.01 0.00 0.00 177.00 174.22 1bld n GLY 142 N 0.49 1.60 3.73 0.52 0.00 -1.26 -4.96 105.19 105.31 1bld n GLY 142 Ca 0.07 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 4.33 0.00 1.61 1.11 -1.19 -4.88 119.66 120.64 1bld s GLN 143 Ca 0.00 2.12 0.29 0.00 0.01 0.00 0.00 55.36 57.78 1bld s GLN 143 Cb 0.00 -3.20 1.18 0.00 -1.01 0.00 0.00 33.01 29.98 1bld s GLN 143 CO 0.00 -0.38 1.83 1.63 0.01 0.00 0.00 175.29 178.38 1bld n LYS 144 N 3.21 0.63 0.00 2.91 4.01 -1.26 -3.75 118.16 123.91 1bld n LYS 144 Ca 0.09 -0.22 0.01 0.00 -0.51 0.00 0.00 58.31 57.67 1bld n LYS 144 Cb 0.42 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.48 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bld n ALA 145 N -0.99 1.51 0.13 7.82 0.00 -1.26 -0.51 120.51 127.20 1bld n ALA 145 Ca 0.14 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1bld n ALA 145 Cb 0.29 -1.02 0.25 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.04 0.63 -3.16 0.00 -5.35 -1.25 -4.21 119.36 104.99 1bld n ILE 146 Ca 0.01 -0.82 -0.43 0.00 -0.27 0.00 0.00 62.75 61.24 1bld n ILE 146 Cb 0.00 0.87 -0.07 0.00 -1.74 0.00 0.00 39.64 38.70 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 -1.37 4.59 0.38 7.28 1.43 0.33 -4.35 118.68 126.98 1bld s LEU 147 Ca 0.42 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1bld s LEU 147 Cb 0.24 -2.65 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 1bld s LEU 147 CO 0.32 -0.73 -0.02 -0.36 0.23 0.00 0.00 176.35 175.79 1bld s PHE 148 N 2.66 2.48 -0.40 0.29 0.40 -1.05 -3.17 117.98 119.18 1bld s PHE 148 Ca 0.20 -0.60 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1bld s PHE 148 Cb -0.15 -1.63 0.25 0.00 0.51 0.00 0.00 43.02 41.99 1bld s PHE 148 CO 0.18 0.49 0.56 -0.11 0.70 0.00 0.00 175.22 177.04 1bld n LEU 149 N -0.92 -0.29 -4.58 -0.37 7.94 -0.73 -2.50 117.00 115.55 1bld n LEU 149 Ca -0.05 -4.48 -0.40 0.00 -1.11 0.00 0.00 56.01 49.97 1bld n LEU 149 Cb 0.65 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 45.24 1bld n LEU 149 CO 0.47 2.05 1.85 -2.84 -1.11 0.00 0.00 177.39 177.81 1bld s PRO 150 N -0.87 2.76 -0.09 1.96 0.02 -1.26 -3.72 135.00 133.81 1bld s PRO 150 Ca 0.34 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.93 1bld s PRO 150 Cb 0.17 -4.42 -0.04 0.00 0.02 0.00 0.00 34.50 30.23 1bld s PRO 150 CO -0.13 -2.52 0.16 -1.64 -0.33 0.00 0.00 177.00 172.54 1bld s MET 151 N 6.96 3.46 1.09 5.54 -1.94 -0.85 -4.87 119.30 128.70 1bld s MET 151 Ca 0.94 -0.15 -0.15 0.00 -1.71 0.00 0.00 55.69 54.61 1bld s MET 151 Cb -0.25 -3.17 0.23 0.00 2.01 0.00 0.00 34.83 33.66 1bld s MET 151 CO 0.31 0.75 1.10 0.45 -0.01 0.00 0.00 175.02 177.62 1bld s SER 152 N -1.26 1.84 -0.41 3.03 0.15 -1.26 -1.24 113.70 114.55 1bld s SER 152 Ca 0.19 0.91 0.09 0.00 0.70 0.00 0.00 55.95 57.83 1bld s SER 152 Cb -0.12 -1.38 0.29 0.00 -1.71 0.00 0.00 66.02 63.09 1bld s SER 152 CO 0.08 -3.58 0.74 0.00 1.20 0.00 0.00 173.24 171.68 1bld n ALA 153 N -4.44 1.11 -0.68 5.45 0.00 -1.20 -4.55 120.51 116.20 1bld n ALA 153 Ca 0.09 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1bld n ALA 153 Cb 0.58 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.97 0.00 0.00 0.00 5.02 -1.26 -4.76 118.16 118.13 1bld n LYS 154 Ca 0.18 0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.64 1bld n LYS 154 Cb 0.61 -0.76 0.08 0.00 -0.02 0.00 0.00 35.03 34.94 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31