#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld s ALA 2 N 0.00 3.47 -0.70 3.04 0.00 -1.26 -4.99 121.76 121.32 1bld s ALA 2 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 1bld s ALA 2 Cb 0.00 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.77 1bld s ALA 2 CO 0.00 -1.42 0.89 -1.21 0.00 0.00 0.00 175.76 174.02 1bld s GLU 3 N 3.27 3.22 0.60 0.00 2.02 -1.26 -4.91 118.70 121.64 1bld s GLU 3 Ca 0.36 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 54.04 1bld s GLU 3 Cb -0.13 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 29.70 1bld s GLU 3 CO 0.16 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.17 1bld n GLY 4 N 5.27 -3.27 0.00 -1.39 0.00 -1.26 -4.89 105.19 99.65 1bld n GLY 4 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.13 0.00 -3.23 1.61 1.02 -1.26 -4.82 120.64 109.83 1bld n GLU 5 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 1bld n GLU 5 Cb 0.64 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.99 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 4.98 0.35 -3.67 1.09 -1.26 -5.04 121.20 117.64 1bld s ILE 6 Ca 0.00 -0.45 -0.29 0.00 -1.10 0.00 0.00 60.65 58.82 1bld s ILE 6 Cb 0.00 -4.19 -0.11 0.00 -1.06 0.00 0.00 42.46 37.10 1bld s ILE 6 CO 0.00 -0.64 1.45 0.42 -0.10 0.00 0.00 174.94 176.07 1bld s THR 7 N 2.39 2.26 0.05 2.92 -4.23 -1.26 -5.01 115.64 112.76 1bld s THR 7 Ca 0.14 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1bld s THR 7 Cb -0.19 -3.16 -0.00 0.00 1.34 0.00 0.00 72.50 70.49 1bld s THR 7 CO 0.13 0.06 0.16 0.28 -0.54 0.00 0.00 174.62 174.71 1bld s THR 8 N -0.91 0.13 -0.46 3.99 -1.32 -1.26 -4.95 115.64 110.86 1bld s THR 8 Ca 0.54 -1.05 -0.04 0.00 -1.21 0.00 0.00 61.69 59.92 1bld s THR 8 Cb -0.45 -1.05 0.12 0.00 -1.51 0.00 0.00 72.50 69.62 1bld s THR 8 CO 0.57 -0.58 0.27 -0.76 -2.21 0.00 0.00 174.62 171.92 1bld s LEU 9 N -2.34 5.34 -0.09 9.08 2.01 -1.26 -5.06 118.68 126.36 1bld s LEU 9 Ca -0.02 -2.17 -0.29 0.00 0.01 0.00 0.00 54.13 51.66 1bld s LEU 9 Cb 0.01 -1.87 -0.07 0.00 0.01 0.00 0.00 46.19 44.28 1bld s LEU 9 CO -0.06 -0.54 2.03 -2.84 1.01 0.00 0.00 176.35 175.95 1bld s PRO 10 N 0.95 3.71 -0.41 1.29 0.02 -1.26 -4.82 135.00 134.48 1bld s PRO 10 Ca 0.09 2.27 0.09 0.00 0.02 0.00 0.00 61.00 63.48 1bld s PRO 10 Cb -0.23 -4.23 0.38 0.00 0.02 0.00 0.00 34.50 30.44 1bld s PRO 10 CO -0.04 -1.45 1.29 0.00 -0.33 0.00 0.00 177.00 176.48 1bld n ALA 11 N 9.27 0.91 -3.31 -1.55 0.00 -1.26 -5.01 120.51 119.56 1bld n ALA 11 Ca 0.24 -1.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.17 1bld n ALA 11 Cb 0.43 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.38 -5.18 -4.73 0.00 0.00 -1.26 -4.92 117.00 100.53 1bld n LEU 12 Ca -0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 56.01 55.27 1bld n LEU 12 Cb 0.82 -2.81 0.10 0.00 0.00 0.00 0.00 43.42 41.53 1bld n LEU 12 CO -0.04 -0.55 0.74 -2.16 0.00 0.00 0.00 177.39 175.38 1bld s PRO 13 N -3.80 2.04 -0.16 1.96 0.05 -1.26 -4.33 135.00 129.49 1bld s PRO 13 Ca 0.06 1.52 -0.00 0.00 0.05 0.00 0.00 61.00 62.63 1bld s PRO 13 Cb -0.02 -1.85 0.00 0.00 0.05 0.00 0.00 34.50 32.69 1bld s PRO 13 CO 0.80 -1.86 0.00 0.39 0.05 0.00 0.00 177.00 176.37 1bld n GLU 14 N -3.17 -1.98 -0.95 4.56 4.71 -1.26 -4.68 120.64 117.87 1bld n GLU 14 Ca 0.12 1.84 -0.17 0.00 -0.01 0.00 0.00 57.16 58.93 1bld n GLU 14 Cb 0.52 -3.29 -0.11 0.00 -1.01 0.00 0.00 31.44 27.54 1bld n GLU 14 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1bld n ASP 15 N 0.99 5.49 -0.26 1.62 -0.08 -1.26 -4.55 116.55 118.50 1bld n ASP 15 Ca -0.00 -2.40 0.01 0.00 -1.51 0.00 0.00 54.79 50.89 1bld n ASP 15 Cb 0.24 -1.30 0.14 0.00 2.34 0.00 0.00 41.12 42.54 1bld n ASP 15 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1bld h GLY 16 N 5.79 1.11 -4.17 0.27 0.00 -1.93 -3.48 103.07 100.65 1bld h GLY 16 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1bld h GLY 16 CO 0.68 0.11 -0.90 0.61 0.00 0.00 0.00 176.54 177.04 1bld n GLY 17 N -1.30 -5.32 1.79 4.60 0.00 -1.26 -4.93 105.19 98.76 1bld n GLY 17 Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1bld n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bld n SER 18 N 1.79 -2.08 -0.06 1.61 7.64 -1.26 -5.00 113.62 116.26 1bld n SER 18 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1bld n SER 18 Cb 0.00 -2.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bld n GLY 19 N 0.60 -0.27 0.00 0.23 0.00 -1.26 -5.06 105.19 99.42 1bld n GLY 19 Ca -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.15 0.73 -0.10 4.61 0.00 -1.26 -4.90 120.51 119.74 1bld n ALA 20 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 1bld n ALA 20 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1bld n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bld n PHE 21 N 0.00 0.47 -0.88 0.00 7.35 -1.26 -4.97 117.46 118.17 1bld n PHE 21 Ca 0.00 0.16 -0.29 0.00 -0.76 0.00 0.00 57.45 56.56 1bld n PHE 21 Cb 0.43 -1.05 0.20 0.00 0.35 0.00 0.00 39.48 39.41 1bld n PHE 21 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1bld s PRO 22 N -2.48 0.04 1.19 -7.13 0.02 -1.26 -4.90 135.00 120.46 1bld s PRO 22 Ca -0.33 0.78 -0.16 0.00 0.02 0.00 0.00 61.00 61.32 1bld s PRO 22 Cb 0.10 -1.67 0.23 0.00 0.02 0.00 0.00 34.50 33.18 1bld s PRO 22 CO 0.59 -3.07 0.61 -2.30 -0.33 0.00 0.00 177.00 172.50 1bld n PRO 23 N -4.45 -2.39 0.00 5.54 -0.01 -1.26 -4.88 135.00 127.55 1bld n PRO 23 Ca 0.05 -0.68 0.00 0.00 -0.01 0.00 0.00 63.50 62.86 1bld n PRO 23 Cb 0.55 -1.96 0.00 0.00 -0.01 0.00 0.00 33.50 32.08 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 1.50 0.01 0.88 -1.23 0.00 -1.26 -4.98 105.19 100.12 1bld n GLY 24 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N 0.00 -0.08 0.52 1.61 1.44 -1.26 -4.97 115.22 112.48 1bld n HIS 25 Ca 0.00 -0.11 0.03 0.00 -2.01 0.00 0.00 57.72 55.63 1bld n HIS 25 Cb 0.00 0.40 0.15 0.00 0.12 0.00 0.00 29.99 30.65 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bld n PHE 26 N -0.06 0.67 -1.17 -1.40 3.01 -1.26 -4.23 117.46 113.02 1bld n PHE 26 Ca -0.03 -0.25 -0.26 0.00 1.01 0.00 0.00 57.45 57.92 1bld n PHE 26 Cb 0.38 -0.18 0.05 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.26 2.26 -3.74 -1.08 2.85 -1.26 -4.53 118.16 112.91 1bld n LYS 27 Ca 0.10 -2.43 -0.13 0.00 -1.05 0.00 0.00 58.31 54.81 1bld n LYS 27 Cb 0.50 -1.96 -0.08 0.00 -0.65 0.00 0.00 35.03 32.84 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 -0.69 -0.19 0.83 -5.58 1.01 -1.26 -5.12 116.67 105.67 1bld s ASP 28 Ca 0.48 0.00 -0.13 0.00 0.71 0.00 0.00 52.55 53.61 1bld s ASP 28 Cb 0.37 0.34 0.08 0.00 1.01 0.00 0.00 42.92 44.72 1bld s ASP 28 CO -0.05 -0.53 1.06 -0.81 0.21 0.00 0.00 175.17 175.06 1bld n PRO 29 N 0.96 0.05 -3.80 8.23 -0.04 -1.26 -4.45 135.00 134.69 1bld n PRO 29 Ca -0.20 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 1bld n PRO 29 Cb 0.57 -2.32 -0.15 0.00 -0.04 0.00 0.00 33.50 31.56 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 -4.03 0.02 -0.05 0.54 1.02 -1.07 -2.71 119.74 113.46 1bld s LYS 30 Ca 0.70 0.18 -0.19 0.00 0.02 0.00 0.00 55.97 56.68 1bld s LYS 30 Cb -0.28 -0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 36.85 1bld s LYS 30 CO 0.54 -0.11 0.52 1.03 -0.92 0.00 0.00 175.35 176.41 1bld s ARG 31 N 0.70 4.26 -0.18 1.68 0.52 -1.16 -4.07 118.95 120.70 1bld s ARG 31 Ca -0.06 0.57 -0.16 0.00 -0.52 0.00 0.00 55.73 55.56 1bld s ARG 31 Cb -0.08 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1bld s ARG 31 CO -0.02 0.34 0.42 -0.51 0.02 0.00 0.00 175.30 175.55 1bld s LEU 32 N -0.02 4.18 -0.21 2.53 1.43 -1.26 -2.21 118.68 123.13 1bld s LEU 32 Ca 0.28 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1bld s LEU 32 Cb -0.17 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1bld s LEU 32 CO 0.14 -0.06 -0.10 -0.47 0.23 0.00 0.00 176.35 176.08 1bld s TYR 33 N 1.17 2.91 -0.49 0.29 5.04 -1.25 -3.06 117.35 121.96 1bld s TYR 33 Ca 0.21 -1.26 -0.19 0.00 -2.44 0.00 0.00 57.07 53.38 1bld s TYR 33 Cb -0.15 -2.03 0.05 0.00 0.35 0.00 0.00 41.96 40.18 1bld s TYR 33 CO 0.08 -0.66 0.62 0.00 -1.34 0.00 0.00 175.55 174.25 1bld h LYS 35 N 8.96 0.27 -6.03 0.00 3.64 -1.85 -0.69 116.57 120.87 1bld h LYS 35 Ca -0.27 -0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.57 1bld h LYS 35 Cb 1.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1bld h LYS 35 CO 0.94 0.18 1.36 -0.80 -2.27 0.00 0.00 179.45 178.86 1bld s ASN 36 N -5.16 5.37 0.00 4.20 0.02 -1.26 -1.99 114.94 116.11 1bld s ASN 36 Ca -0.08 0.75 0.00 0.00 -1.02 0.00 0.00 52.86 52.52 1bld s ASN 36 Cb 0.25 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 39.00 1bld s ASN 36 CO 0.80 -2.22 0.00 0.61 0.02 0.00 0.00 177.10 176.31 1bld n GLY 37 N 5.65 0.64 3.91 0.66 0.00 -1.26 -3.86 105.19 110.93 1bld n GLY 37 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.19 -0.58 3.83 -0.02 0.00 -0.33 -4.93 105.19 100.97 1bld n GLY 38 Ca 0.00 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.75 3.44 -0.41 1.61 0.08 -0.82 -4.78 117.98 113.35 1bld s PHE 39 Ca 0.25 0.35 -0.15 0.00 0.12 0.00 0.00 56.93 57.50 1bld s PHE 39 Cb -0.11 -1.84 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1bld s PHE 39 CO 0.90 0.63 0.30 -0.06 -0.10 0.00 0.00 175.22 176.89 1bld s PHE 40 N -1.13 3.24 0.40 0.36 0.40 -0.74 -0.19 117.98 120.31 1bld s PHE 40 Ca 0.20 -0.58 -0.23 0.00 -0.60 0.00 0.00 56.93 55.72 1bld s PHE 40 Cb -0.12 -2.59 -0.13 0.00 0.51 0.00 0.00 43.02 40.70 1bld s PHE 40 CO 0.10 -0.58 0.63 -0.11 0.70 0.00 0.00 175.22 175.96 1bld n LEU 41 N 5.16 0.34 -3.94 -0.37 7.94 -1.17 -2.52 117.00 122.44 1bld n LEU 41 Ca -0.11 0.96 -0.09 0.00 -1.11 0.00 0.00 56.01 55.66 1bld n LEU 41 Cb 0.47 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 43.18 1bld n LEU 41 CO 0.41 -2.62 -0.22 -0.60 -1.11 0.00 0.00 177.39 173.25 1bld s ARG 42 N -1.59 0.60 -0.05 1.96 3.52 -1.02 -4.69 118.95 117.67 1bld s ARG 42 Ca 0.63 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 55.46 1bld s ARG 42 Cb -0.62 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.01 1bld s ARG 42 CO 0.58 -0.15 -0.12 0.42 -0.81 0.00 0.00 175.30 175.22 1bld s ILE 43 N -2.75 1.12 0.18 4.11 1.01 -1.26 -2.54 121.20 121.07 1bld s ILE 43 Ca -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1bld s ILE 43 Cb -0.00 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 1bld s ILE 43 CO -0.05 0.35 0.46 -1.00 0.00 0.00 0.00 174.94 174.69 1bld s HIS 44 N 0.48 3.46 0.64 3.97 3.76 -1.00 -4.80 115.29 121.80 1bld s HIS 44 Ca -0.11 0.72 0.37 0.00 -0.15 0.00 0.00 55.06 55.89 1bld s HIS 44 Cb -0.14 -2.14 2.06 0.00 1.11 0.00 0.00 32.58 33.47 1bld s HIS 44 CO 0.03 0.36 2.22 -1.00 -0.85 0.00 0.00 174.74 175.50 1bld h PRO 45 N 2.75 0.00 0.00 8.40 0.13 -1.88 0.60 132.00 141.99 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bld h PRO 45 CO 0.71 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.08 1bld n ASP 46 N -3.28 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 114.30 1bld n ASP 46 Ca -0.02 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 1bld n ASP 46 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.37 2.11 3.23 6.12 0.00 0.20 -4.96 105.19 112.26 1bld n GLY 47 Ca 0.09 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.59 -4.02 1.61 1.74 -1.26 -2.77 116.66 111.37 1bld n ARG 48 Ca 0.00 -0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 1bld n ARG 48 Cb 0.00 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.21 0.32 0.00 1.55 1.01 -1.26 -2.39 120.40 117.42 1bld s VAL 49 Ca 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1bld s VAL 49 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1bld s VAL 49 CO 0.70 -0.34 0.00 -0.90 0.00 0.00 0.00 175.10 174.56 1bld n ASP 50 N 1.80 0.00 -3.72 3.32 5.75 -1.05 -4.53 116.55 118.12 1bld n ASP 50 Ca -0.21 -0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.42 1bld n ASP 50 Cb 0.56 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.50 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N -0.00 0.01 0.02 6.12 0.00 0.49 -2.43 107.32 111.52 1bld s GLY 51 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 45.28 1bld s GLY 51 CO 0.00 1.21 0.06 -1.34 0.00 0.00 0.00 173.10 173.03 1bld s VAL 52 N 1.57 0.11 -0.22 1.40 -7.23 -1.05 -4.27 120.40 110.72 1bld s VAL 52 Ca -0.05 -0.93 0.21 0.00 -1.81 0.00 0.00 61.98 59.40 1bld s VAL 52 Cb -0.12 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 1bld s VAL 52 CO -0.06 -0.51 1.04 0.03 -0.31 0.00 0.00 175.10 175.29 1bld h ARG 53 N 4.18 0.00 -5.11 4.82 3.08 -1.86 -1.97 114.38 117.52 1bld h ARG 53 Ca -0.32 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.39 1bld h ARG 53 Cb 1.19 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.16 1bld h ARG 53 CO 0.45 0.08 1.60 0.39 -1.07 0.00 0.00 179.97 181.42 1bld n GLU 54 N -2.78 0.18 -0.00 0.04 1.02 -1.26 -4.65 120.64 113.19 1bld n GLU 54 Ca -0.02 -0.14 0.14 0.00 -0.02 0.00 0.00 57.16 57.11 1bld n GLU 54 Cb 0.62 -1.77 0.78 0.00 -0.02 0.00 0.00 31.44 31.05 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bld n LYS 55 N 7.07 1.09 -0.08 3.49 2.85 -1.26 -3.08 118.16 128.24 1bld n LYS 55 Ca 0.62 -0.13 0.10 0.00 -1.05 0.00 0.00 58.31 57.84 1bld n LYS 55 Cb 0.19 -1.44 0.36 0.00 -0.65 0.00 0.00 35.03 33.50 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bld n SER 56 N -0.79 1.45 -4.47 -5.58 3.41 -1.26 -4.03 113.62 102.36 1bld n SER 56 Ca 0.20 -1.71 -0.43 0.00 -0.26 0.00 0.00 58.87 56.67 1bld n SER 56 Cb 0.13 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -1.49 6.13 0.00 4.04 1.01 -1.18 -4.91 116.67 120.27 1bld s ASP 57 Ca 0.30 -0.82 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1bld s ASP 57 Cb 0.16 -2.17 0.11 0.00 1.01 0.00 0.00 42.92 42.03 1bld s ASP 57 CO 0.24 -0.47 0.47 -2.65 0.21 0.00 0.00 175.17 172.97 1bld n PRO 58 N 5.25 0.09 0.08 8.23 -0.02 -1.26 -2.00 135.00 145.37 1bld n PRO 58 Ca -0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1bld n PRO 58 Cb 0.47 -1.34 0.02 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.35 0.00 6.00 3.86 -1.92 -2.79 115.15 120.65 1bld h HIS 59 Ca 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1bld h HIS 59 Cb 0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1bld h HIS 59 CO 0.00 0.95 0.00 0.44 0.86 0.00 0.00 177.93 180.18 1bld n ILE 60 N -3.73 0.00 -2.41 2.45 -5.35 -0.84 -4.35 119.36 105.12 1bld n ILE 60 Ca -0.04 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.05 1bld n ILE 60 Cb 0.76 -0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 37.85 1bld n ILE 60 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1bld s LYS 61 N -2.00 3.12 -0.19 6.28 2.47 -1.05 -4.70 119.74 123.67 1bld s LYS 61 Ca 0.21 -0.29 -0.09 0.00 -1.56 0.00 0.00 55.97 54.24 1bld s LYS 61 Cb 0.10 -4.58 -0.05 0.00 -1.46 0.00 0.00 37.83 31.84 1bld s LYS 61 CO 0.16 -2.39 0.13 -0.51 0.16 0.00 0.00 175.35 172.90 1bld s LEU 62 N 6.60 4.24 -0.45 5.43 1.43 -1.26 -2.86 118.68 131.81 1bld s LEU 62 Ca 0.47 0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 53.62 1bld s LEU 62 Cb -0.07 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1bld s LEU 62 CO 0.09 0.22 0.73 -1.58 0.23 0.00 0.00 176.35 176.03 1bld s GLN 63 N 0.12 3.33 0.20 1.70 2.00 0.23 -2.59 119.66 124.65 1bld s GLN 63 Ca 0.09 -0.27 -0.08 0.00 -2.00 0.00 0.00 55.36 53.11 1bld s GLN 63 Cb -0.11 -3.96 -0.07 0.00 0.80 0.00 0.00 33.01 29.67 1bld s GLN 63 CO -0.01 -1.10 0.48 -0.51 -0.50 0.00 0.00 175.29 173.65 1bld s LEU 64 N 3.10 4.20 -0.12 3.68 1.02 -1.26 -1.53 118.68 127.77 1bld s LEU 64 Ca 0.26 0.79 -0.10 0.00 0.02 0.00 0.00 54.13 55.10 1bld s LEU 64 Cb -0.13 -3.54 0.04 0.00 0.02 0.00 0.00 46.19 42.57 1bld s LEU 64 CO 0.20 -0.03 0.31 -1.58 0.02 0.00 0.00 176.35 175.28 1bld s GLN 65 N -2.76 0.35 0.62 1.70 0.74 -0.88 -4.65 119.66 114.78 1bld s GLN 65 Ca 0.45 0.48 -0.11 0.00 0.05 0.00 0.00 55.36 56.23 1bld s GLN 65 Cb -0.12 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 1bld s GLN 65 CO 0.22 -0.07 1.03 0.00 -0.55 0.00 0.00 175.29 175.93 1bld s ALA 66 N 0.41 3.09 0.00 1.58 0.00 -1.26 -0.45 121.76 125.14 1bld s ALA 66 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1bld s ALA 66 Cb -0.04 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1bld s ALA 66 CO -0.02 -0.71 0.00 -1.91 0.00 0.00 0.00 175.76 173.13 1bld n GLU 67 N -2.76 0.00 0.00 0.00 4.07 -0.95 -4.76 120.64 116.25 1bld n GLU 67 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1bld n GLU 67 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 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 -0.51 3.37 -2.91 5.31 1.02 -1.25 -4.95 120.64 120.70 1bld n GLU 68 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 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 2.26 4.02 0.00 3.49 1.81 -1.26 -3.61 118.95 125.66 1bld s ARG 69 Ca 0.00 0.69 0.00 0.00 -1.72 0.00 0.00 55.73 54.70 1bld s ARG 69 Cb 0.00 -3.71 0.00 0.00 -0.45 0.00 0.00 34.95 30.79 1bld s ARG 69 CO 0.00 -0.66 0.00 0.41 -0.68 0.00 0.00 175.30 174.37 1bld n GLY 70 N 4.09 0.88 3.82 -3.53 0.00 -1.26 -4.96 105.19 104.23 1bld n GLY 70 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 4.98 -0.03 1.61 1.01 -1.24 -3.18 120.40 121.08 1bld s VAL 71 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 1bld s VAL 71 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1bld s VAL 71 CO 0.00 0.56 0.06 0.68 0.00 0.00 0.00 175.10 176.40 1bld s VAL 72 N -0.97 -0.07 -0.29 2.92 -7.23 -1.26 -2.23 120.40 111.27 1bld s VAL 72 Ca 0.25 0.25 -0.16 0.00 -1.81 0.00 0.00 61.98 60.50 1bld s VAL 72 Cb -0.17 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 1bld s VAL 72 CO 0.14 0.10 0.44 -0.44 -0.31 0.00 0.00 175.10 175.03 1bld s SER 73 N 1.30 6.31 0.20 4.85 0.01 0.41 -3.90 113.70 122.88 1bld s SER 73 Ca -0.07 0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.33 1bld s SER 73 Cb -0.13 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1bld s SER 73 CO -0.04 -0.28 0.57 -0.63 0.41 0.00 0.00 173.24 173.27 1bld s ILE 74 N 2.20 4.87 -0.04 1.44 1.01 -1.26 -2.08 121.20 127.33 1bld s ILE 74 Ca 0.17 0.69 -0.08 0.00 0.00 0.00 0.00 60.65 61.43 1bld s ILE 74 Cb -0.16 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1bld s ILE 74 CO 0.10 0.07 0.19 -0.75 0.00 0.00 0.00 174.94 174.56 1bld s LYS 75 N -2.42 0.36 -0.08 2.79 2.20 -0.58 -4.10 119.74 117.91 1bld s LYS 75 Ca 0.43 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.90 1bld s LYS 75 Cb -0.13 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1bld s LYS 75 CO 0.20 -0.07 0.41 0.20 -0.36 0.00 0.00 175.35 175.72 1bld s GLY 76 N -0.51 2.39 0.00 5.54 0.00 -0.03 0.77 107.32 115.47 1bld s GLY 76 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1bld s GLY 76 CO 0.01 0.43 0.02 -0.62 0.00 0.00 0.00 173.10 172.94 1bld n VAL 77 N 2.88 0.00 -0.03 1.40 0.31 -1.14 0.52 118.33 122.28 1bld n VAL 77 Ca -0.11 0.14 0.24 0.00 -0.01 0.00 0.00 64.34 64.60 1bld n VAL 77 Cb 0.52 -0.38 0.71 0.00 -0.91 0.00 0.00 33.84 33.78 1bld n VAL 77 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bld h SER 78 N 0.00 0.00 0.73 4.52 0.02 -1.81 0.52 113.55 117.53 1bld h SER 78 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1bld h SER 78 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1bld h SER 78 CO 0.00 0.00 -1.38 0.00 -1.14 0.00 0.00 176.83 174.31 1bld h ALA 79 N 1.43 0.65 -6.33 3.77 0.00 -1.87 -3.46 119.26 113.45 1bld h ALA 79 Ca 0.30 -0.80 -0.47 0.00 0.00 0.00 0.00 54.91 53.95 1bld h ALA 79 Cb 1.47 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1bld h ALA 79 CO -0.00 0.86 -0.85 0.09 0.00 0.00 0.00 179.25 179.35 1bld n ASN 80 N -2.88 -1.31 -3.84 0.00 4.13 0.18 -4.89 115.26 106.65 1bld n ASN 80 Ca -0.09 -0.91 -0.12 0.00 1.68 0.00 0.00 54.58 55.15 1bld n ASN 80 Cb 0.82 -3.53 -0.09 0.00 -1.54 0.00 0.00 39.78 35.44 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 -6.35 0.57 -0.17 3.52 0.52 -1.15 -4.54 118.95 111.34 1bld s ARG 81 Ca 0.12 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 1bld s ARG 81 Cb -0.06 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1bld s ARG 81 CO 0.85 -0.15 0.36 0.71 0.02 0.00 0.00 175.30 177.10 1bld s TYR 82 N -1.56 3.42 0.57 -0.53 1.51 0.58 -0.85 117.35 120.49 1bld s TYR 82 Ca -0.13 0.63 -0.20 0.00 -1.01 0.00 0.00 57.07 56.36 1bld s TYR 82 Cb -0.06 -2.45 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 1bld s TYR 82 CO 0.01 0.11 1.16 -0.11 -1.11 0.00 0.00 175.55 175.62 1bld n LEU 83 N 4.01 4.63 -4.06 -1.29 7.94 -1.26 -2.31 117.00 124.66 1bld n LEU 83 Ca -0.10 0.89 -0.10 0.00 -1.11 0.00 0.00 56.01 55.59 1bld n LEU 83 Cb 0.51 -1.48 -0.08 0.00 0.53 0.00 0.00 43.42 42.91 1bld n LEU 83 CO 0.40 -1.23 -0.05 0.00 -1.11 0.00 0.00 177.39 175.40 1bld s ALA 84 N -1.39 0.34 0.00 1.96 0.00 0.10 -4.40 121.76 118.38 1bld s ALA 84 Ca 0.74 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1bld s ALA 84 Cb -0.42 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1bld s ALA 84 CO 0.48 -0.67 -0.08 1.41 0.00 0.00 0.00 175.76 176.89 1bld s MET 85 N -4.04 0.62 0.39 0.00 1.75 -1.22 -2.51 119.30 114.28 1bld s MET 85 Ca 0.25 -0.33 -0.01 0.00 -1.25 0.00 0.00 55.69 54.35 1bld s MET 85 Cb 0.04 -0.58 -0.03 0.00 2.84 0.00 0.00 34.83 37.10 1bld s MET 85 CO 0.06 0.16 0.61 0.15 -0.65 0.00 0.00 175.02 175.35 1bld s LYS 86 N -0.34 3.42 0.48 4.11 -0.14 -0.81 -4.97 119.74 121.49 1bld s LYS 86 Ca 0.02 -0.26 0.17 0.00 -1.36 0.00 0.00 55.97 54.53 1bld s LYS 86 Cb -0.04 -2.59 1.15 0.00 -1.68 0.00 0.00 37.83 34.68 1bld s LYS 86 CO -0.00 0.01 2.06 0.93 -0.76 0.00 0.00 175.35 177.58 1bld h GLU 87 N 0.59 0.00 0.04 1.68 5.08 -2.01 -2.70 114.58 117.26 1bld h GLU 87 Ca -0.49 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 1bld h GLU 87 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1bld h GLU 87 CO 0.61 0.12 -0.53 0.38 -1.00 0.00 0.00 179.01 178.58 1bld h ASP 88 N 0.00 0.40 0.00 1.42 2.03 -2.02 -3.48 116.42 114.77 1bld h ASP 88 Ca -0.00 -0.83 0.00 0.00 -0.73 0.00 0.00 57.03 55.46 1bld h ASP 88 Cb 0.21 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1bld h ASP 88 CO 0.02 1.19 0.00 0.61 -1.03 0.00 0.00 179.24 180.03 1bld n GLY 89 N 1.27 0.01 3.66 7.15 0.00 -1.02 -3.72 105.19 112.54 1bld n GLY 89 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 4.16 -0.05 1.61 1.81 -1.26 -2.77 118.95 122.45 1bld s ARG 90 Ca 0.00 2.39 -0.20 0.00 -1.72 0.00 0.00 55.73 56.20 1bld s ARG 90 Cb 0.00 -4.06 -0.05 0.00 -0.45 0.00 0.00 34.95 30.39 1bld s ARG 90 CO 0.00 -0.89 0.55 -0.51 -0.68 0.00 0.00 175.30 173.77 1bld s LEU 91 N 4.21 4.36 0.00 2.53 1.02 -1.26 -1.92 118.68 127.61 1bld s LEU 91 Ca 0.80 1.03 -0.02 0.00 0.02 0.00 0.00 54.13 55.96 1bld s LEU 91 Cb -0.38 -2.84 0.01 0.00 0.02 0.00 0.00 46.19 43.01 1bld s LEU 91 CO 0.35 0.06 0.29 0.00 0.02 0.00 0.00 176.35 177.07 1bld n LEU 92 N 3.10 0.00 -3.89 1.79 -0.00 -1.04 -4.46 117.00 112.50 1bld n LEU 92 Ca -0.07 -1.55 -0.11 0.00 -0.00 0.00 0.00 56.01 54.28 1bld n LEU 92 Cb 0.51 1.50 -0.10 0.00 -0.00 0.00 0.00 43.42 45.33 1bld n LEU 92 CO 0.43 -0.38 -0.20 0.00 -0.00 0.00 0.00 177.39 177.25 1bld s ALA 93 N -2.15 -0.24 0.06 1.47 0.00 -1.11 0.02 121.76 119.80 1bld s ALA 93 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 1bld s ALA 93 Cb -0.01 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1bld s ALA 93 CO 0.11 -0.22 0.19 0.45 0.00 0.00 0.00 175.76 176.29 1bld s SER 94 N -1.49 0.07 0.44 0.00 0.15 -0.98 -4.70 113.70 107.19 1bld s SER 94 Ca -0.14 -0.47 0.29 0.00 0.70 0.00 0.00 55.95 56.33 1bld s SER 94 Cb -0.07 0.30 1.00 0.00 -1.71 0.00 0.00 66.02 65.54 1bld s SER 94 CO 0.01 -0.61 1.83 0.11 1.20 0.00 0.00 173.24 175.77 1bld h LYS 95 N 3.24 0.00 -5.26 5.44 1.57 -1.89 0.16 116.57 119.83 1bld h LYS 95 Ca -0.33 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.80 1bld h LYS 95 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 1bld h LYS 95 CO 0.51 0.00 -0.00 -1.54 -0.57 0.00 0.00 179.45 177.85 1bld s SER 96 N -5.45 6.31 0.22 0.86 1.04 -1.26 -4.76 113.70 110.66 1bld s SER 96 Ca 0.04 -0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.06 1bld s SER 96 Cb 0.08 -2.28 -0.08 0.00 0.10 0.00 0.00 66.02 63.84 1bld s SER 96 CO 0.55 -0.59 0.79 0.54 0.98 0.00 0.00 173.24 175.51 1bld s VAL 97 N 2.51 4.41 0.00 5.02 0.11 -1.26 -4.89 120.40 126.30 1bld s VAL 97 Ca 0.20 1.56 0.00 0.00 -2.93 0.00 0.00 61.98 60.81 1bld s VAL 97 Cb -0.15 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.69 1bld s VAL 97 CO 0.15 0.33 0.00 0.35 -3.33 0.00 0.00 175.10 172.60 1bld n THR 98 N 1.06 0.00 0.36 5.04 -2.24 -1.26 -5.00 114.28 112.24 1bld n THR 98 Ca -0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 1bld n THR 98 Cb 0.50 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.24 1bld n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bld n ASP 99 N -0.76 0.67 -2.20 3.42 9.92 -1.26 -2.77 116.55 123.58 1bld n ASP 99 Ca 0.00 0.68 -0.26 0.00 -0.53 0.00 0.00 54.79 54.68 1bld n ASP 99 Cb 0.00 -0.82 0.04 0.00 -0.64 0.00 0.00 41.12 39.70 1bld n ASP 99 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bld n GLU 100 N -2.26 2.26 0.00 -1.24 1.02 -1.26 -3.90 120.64 115.26 1bld n GLU 100 Ca 0.02 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 1bld n GLU 100 Cb 0.20 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 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 3.47 -0.22 0.00 0.08 -1.25 -4.43 117.98 115.62 1bld s PHE 102 Ca 0.00 0.59 -0.04 0.00 0.12 0.00 0.00 56.93 57.61 1bld s PHE 102 Cb 0.00 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.53 1bld s PHE 102 CO 0.00 0.35 0.35 -0.06 -0.10 0.00 0.00 175.22 175.77 1bld s PHE 103 N -1.79 -0.72 0.87 0.36 0.40 -1.25 -3.67 117.98 112.18 1bld s PHE 103 Ca 0.42 0.84 -0.13 0.00 -0.60 0.00 0.00 56.93 57.46 1bld s PHE 103 Cb -0.12 -0.00 0.05 0.00 0.51 0.00 0.00 43.02 43.46 1bld s PHE 103 CO 0.26 -0.65 0.71 1.19 0.70 0.00 0.00 175.22 177.43 1bld n PHE 104 N 5.36 -0.39 -3.86 0.36 3.72 0.28 -4.12 117.46 118.81 1bld n PHE 104 Ca -0.05 0.32 -0.30 0.00 -0.05 0.00 0.00 57.45 57.37 1bld n PHE 104 Cb 0.50 -1.91 -0.14 0.00 -0.94 0.00 0.00 39.48 36.98 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 -3.70 1.36 -0.47 -1.08 2.12 -1.19 -1.81 118.70 113.92 1bld s GLU 105 Ca 0.64 -1.88 -0.22 0.00 0.36 0.00 0.00 54.97 53.86 1bld s GLU 105 Cb -0.26 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.44 1bld s GLU 105 CO 0.60 -1.04 0.75 0.50 -0.54 0.00 0.00 175.26 175.53 1bld s ARG 106 N 0.67 3.31 -0.30 4.30 3.52 -0.22 -4.91 118.95 125.32 1bld s ARG 106 Ca 0.14 -0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.22 1bld s ARG 106 Cb -0.22 -3.99 -0.02 0.00 -1.56 0.00 0.00 34.95 29.17 1bld s ARG 106 CO -0.08 -1.17 0.52 -1.17 -0.81 0.00 0.00 175.30 172.60 1bld s LEU 107 N 3.17 4.16 0.00 -0.88 2.96 -1.26 -1.08 118.68 125.75 1bld s LEU 107 Ca 0.26 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 1bld s LEU 107 Cb -0.14 -2.65 0.11 0.00 0.50 0.00 0.00 46.19 44.01 1bld s LEU 107 CO 0.19 -0.38 0.69 -0.62 -1.32 0.00 0.00 176.35 174.91 1bld n GLU 108 N 5.66 -0.37 0.00 1.98 1.02 -0.88 -4.97 120.64 123.08 1bld n GLU 108 Ca -0.04 -1.33 0.13 0.00 -0.02 0.00 0.00 57.16 55.91 1bld n GLU 108 Cb 0.49 -0.62 0.39 0.00 -0.02 0.00 0.00 31.44 31.68 1bld n GLU 108 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bld n SER 109 N -3.28 1.71 -1.60 1.62 2.88 -1.26 -3.98 113.62 109.71 1bld n SER 109 Ca 0.09 -1.47 -0.09 0.00 -1.33 0.00 0.00 58.87 56.07 1bld n SER 109 Cb 0.33 0.05 0.14 0.00 -0.75 0.00 0.00 64.21 63.98 1bld n SER 109 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bld n ASN 110 N 0.22 3.51 0.00 -3.46 5.15 -1.26 -4.82 115.26 114.59 1bld n ASN 110 Ca 0.16 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.32 1bld n ASN 110 Cb 0.40 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bld n ASN 111 N -0.24 0.00 -4.92 1.20 4.13 -1.26 -4.92 115.26 109.25 1bld n ASN 111 Ca 0.30 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.29 1bld n ASN 111 Cb 1.08 -1.91 -0.02 0.00 -1.54 0.00 0.00 39.78 37.39 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bld s TYR 112 N -1.26 3.49 0.31 3.10 2.02 -1.26 -4.88 117.35 118.86 1bld s TYR 112 Ca 0.00 0.45 0.07 0.00 -0.37 0.00 0.00 57.07 57.23 1bld s TYR 112 Cb 0.00 -1.96 -0.06 0.00 -0.40 0.00 0.00 41.96 39.54 1bld s TYR 112 CO 0.00 0.21 -0.06 -0.80 -1.57 0.00 0.00 175.55 173.33 1bld s ASN 113 N -3.47 3.08 -0.05 2.29 -0.87 -0.30 -2.06 114.94 113.55 1bld s ASN 113 Ca 0.41 -1.21 -0.02 0.00 -1.57 0.00 0.00 52.86 50.46 1bld s ASN 113 Cb -0.10 -0.23 0.03 0.00 -0.02 0.00 0.00 41.25 40.93 1bld s ASN 113 CO 0.32 -0.32 0.09 0.42 -2.57 0.00 0.00 177.10 175.03 1bld s THR 114 N -2.90 -0.15 -0.49 1.60 -4.23 -0.24 -1.51 115.64 107.72 1bld s THR 114 Ca 0.31 0.41 -0.22 0.00 -1.18 0.00 0.00 61.69 61.01 1bld s THR 114 Cb 0.04 -0.19 0.04 0.00 1.34 0.00 0.00 72.50 73.72 1bld s THR 114 CO 0.14 0.17 0.76 -0.31 -0.54 0.00 0.00 174.62 174.84 1bld s TYR 115 N 2.19 2.96 -0.16 3.99 2.02 -1.26 -1.05 117.35 126.04 1bld s TYR 115 Ca 0.04 -0.10 -0.10 0.00 -0.37 0.00 0.00 57.07 56.55 1bld s TYR 115 Cb -0.12 -3.68 -0.05 0.00 -0.40 0.00 0.00 41.96 37.71 1bld s TYR 115 CO -0.04 -1.08 0.17 0.50 -1.57 0.00 0.00 175.55 173.54 1bld s ARG 116 N 3.22 3.95 0.95 -0.62 3.52 -0.75 -2.45 118.95 126.77 1bld s ARG 116 Ca 0.25 -0.11 -0.11 0.00 -0.13 0.00 0.00 55.73 55.63 1bld s ARG 116 Cb -0.14 -3.34 0.16 0.00 -1.56 0.00 0.00 34.95 30.07 1bld s ARG 116 CO 0.18 0.46 1.12 0.45 -0.81 0.00 0.00 175.30 176.70 1bld s SER 117 N -0.13 2.68 0.00 -2.12 0.15 -1.03 0.99 113.70 114.24 1bld s SER 117 Ca 0.12 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1bld s SER 117 Cb -0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1bld s SER 117 CO 0.02 -3.23 0.00 -1.14 1.20 0.00 0.00 173.24 170.09 1bld n ARG 118 N -4.31 0.00 0.06 5.44 0.63 -1.24 -3.27 116.66 113.97 1bld n ARG 118 Ca 0.10 0.01 0.02 0.00 -0.92 0.00 0.00 57.85 57.06 1bld n ARG 118 Cb 0.53 -0.16 0.12 0.00 0.45 0.00 0.00 32.46 33.39 1bld n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bld n LYS 119 N -1.37 0.03 -2.70 -0.14 4.81 -1.26 -0.62 118.16 116.91 1bld n LYS 119 Ca 0.00 0.37 -0.19 0.00 -0.87 0.00 0.00 58.31 57.62 1bld n LYS 119 Cb 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bld n TYR 120 N -1.54 2.22 0.07 5.64 4.01 -1.26 -4.88 117.16 121.42 1bld n TYR 120 Ca -0.00 -3.19 0.03 0.00 -0.16 0.00 0.00 57.90 54.58 1bld n TYR 120 Cb 0.29 -0.29 0.17 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.19 0.99 -0.30 -0.72 -2.24 0.21 0.19 114.28 112.22 1bld n THR 121 Ca 0.25 0.61 0.04 0.00 -2.27 0.00 0.00 64.05 62.68 1bld n THR 121 Cb 0.69 -1.61 0.27 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.66 4.20 -3.69 3.42 7.64 -1.26 -4.83 113.62 117.44 1bld n SER 122 Ca -0.00 -2.66 -0.10 0.00 1.01 0.00 0.00 58.87 57.11 1bld n SER 122 Cb 0.23 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.20 -0.63 0.38 1.43 0.51 0.13 -5.01 118.94 113.55 1bld s TRP 123 Ca 0.37 1.35 0.08 0.00 -2.12 0.00 0.00 56.10 55.78 1bld s TRP 123 Cb 0.29 0.29 -0.01 0.00 -0.81 0.00 0.00 33.47 33.22 1bld s TRP 123 CO 0.11 -0.35 0.42 0.71 -0.51 0.00 0.00 176.95 177.32 1bld s TYR 124 N 1.33 2.85 0.24 -1.98 1.51 -1.26 -2.45 117.35 117.59 1bld s TYR 124 Ca -0.09 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 1bld s TYR 124 Cb -0.08 -2.10 -0.08 0.00 -0.11 0.00 0.00 41.96 39.60 1bld s TYR 124 CO -0.12 -0.10 0.63 0.08 -1.11 0.00 0.00 175.55 174.93 1bld s VAL 125 N -2.35 4.79 0.30 0.71 1.01 -1.03 -4.70 120.40 119.13 1bld s VAL 125 Ca 0.47 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 1bld s VAL 125 Cb -0.06 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1bld s VAL 125 CO 0.29 -0.01 0.51 0.00 0.00 0.00 0.00 175.10 175.89 1bld n ALA 126 N 0.10 -0.78 -2.61 5.51 0.00 -1.26 -4.43 120.51 117.03 1bld n ALA 126 Ca -0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 53.44 52.12 1bld n ALA 126 Cb 0.52 0.96 -0.08 0.00 0.00 0.00 0.00 19.45 20.86 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 0.88 0.68 0.00 1.43 -1.26 -4.19 118.68 116.22 1bld s LEU 127 Ca 0.19 -1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 1bld s LEU 127 Cb -0.02 0.97 0.09 0.00 0.03 0.00 0.00 46.19 47.26 1bld s LEU 127 CO 0.14 -1.00 0.96 -0.54 0.23 0.00 0.00 176.35 176.14 1bld s LYS 128 N -3.97 1.96 -0.03 1.70 -0.14 -0.51 -4.50 119.74 114.25 1bld s LYS 128 Ca 0.33 -0.81 0.15 0.00 -1.36 0.00 0.00 55.97 54.28 1bld s LYS 128 Cb 0.03 -2.31 0.47 0.00 -1.68 0.00 0.00 37.83 34.35 1bld s LYS 128 CO 0.13 -1.26 1.38 2.89 -0.76 0.00 0.00 175.35 177.72 1bld n ARG 129 N -2.77 2.45 0.00 1.68 1.85 -1.26 -3.78 116.66 114.83 1bld n ARG 129 Ca 0.12 -1.91 0.00 0.00 -1.00 0.00 0.00 57.85 55.05 1bld n ARG 129 Cb 0.60 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1bld n THR 130 N 0.91 0.41 -0.24 8.89 5.66 -1.26 -4.97 114.28 123.69 1bld n THR 130 Ca 0.18 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1bld n THR 130 Cb 0.52 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 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 -0.21 0.63 3.94 1.09 0.00 -1.25 -4.95 105.19 104.44 1bld n GLY 131 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.76 1.77 -0.26 1.61 -1.52 -1.26 0.18 119.66 119.42 1bld s GLN 132 Ca 0.00 -0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 52.83 1bld s GLN 132 Cb 0.00 -2.12 -0.03 0.00 -0.22 0.00 0.00 33.01 30.64 1bld s GLN 132 CO 0.00 -1.54 0.46 1.52 -0.25 0.00 0.00 175.29 175.48 1bld s TYR 133 N -3.38 3.27 0.14 0.91 1.13 -1.26 -1.42 117.35 116.73 1bld s TYR 133 Ca 0.64 0.56 -0.30 0.00 -1.41 0.00 0.00 57.07 56.56 1bld s TYR 133 Cb -0.08 -2.65 -0.07 0.00 -1.10 0.00 0.00 41.96 38.05 1bld s TYR 133 CO 0.47 -0.24 1.22 0.21 -2.51 0.00 0.00 175.55 174.70 1bld s LYS 134 N 2.13 4.45 0.91 -3.49 2.20 -1.26 -4.77 119.74 119.91 1bld s LYS 134 Ca 0.19 1.87 -0.15 0.00 -0.36 0.00 0.00 55.97 57.52 1bld s LYS 134 Cb -0.16 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1bld s LYS 134 CO 0.09 -0.19 0.02 -0.11 -0.36 0.00 0.00 175.35 174.80 1bld n LEU 135 N 3.14 -2.07 0.14 5.43 7.94 -1.26 -4.81 117.00 125.50 1bld n LEU 135 Ca 0.07 0.34 -0.23 0.00 -1.11 0.00 0.00 56.01 55.07 1bld n LEU 135 Cb 0.45 -1.05 -0.15 0.00 0.53 0.00 0.00 43.42 43.20 1bld n LEU 135 CO 0.56 -4.38 -0.18 1.23 -1.11 0.00 0.00 177.39 173.51 1bld h GLY 136 N -1.13 0.58 2.00 -3.96 0.00 -1.74 -3.17 103.07 95.65 1bld h GLY 136 Ca -0.44 -1.44 0.00 0.00 0.00 0.00 0.00 47.33 45.45 1bld h GLY 136 CO 0.32 1.26 0.00 1.48 0.00 0.00 0.00 176.54 179.60 1bld h SER 137 N 0.15 0.00 0.24 0.19 4.64 -1.87 -1.34 113.55 115.57 1bld h SER 137 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1bld h SER 137 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1bld h SER 137 CO 0.26 0.00 -0.25 0.29 -0.87 0.00 0.00 176.83 176.26 1bld n LYS 138 N -2.35 0.83 -1.51 4.77 5.02 -1.20 -4.90 118.16 118.81 1bld n LYS 138 Ca 0.01 -0.48 -0.30 0.00 -2.02 0.00 0.00 58.31 55.52 1bld n LYS 138 Cb 0.19 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 2.84 0.00 -0.18 -4.23 -0.51 -5.00 115.64 106.07 1bld s THR 139 Ca 0.24 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1bld s THR 139 Cb 0.19 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1bld s THR 139 CO 0.52 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1bld n GLY 140 N -2.00 0.70 3.50 3.99 0.00 -1.26 -4.84 105.19 105.27 1bld n GLY 140 Ca 0.07 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.27 -0.86 0.00 1.61 0.04 -1.26 -3.61 135.00 129.65 1bld s PRO 141 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1bld s PRO 141 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1bld s PRO 141 CO 0.00 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 173.75 1bld n GLY 142 N 0.80 2.39 3.72 0.56 0.00 -1.26 -4.98 105.19 106.43 1bld n GLY 142 Ca 0.03 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 4.55 0.00 1.61 -1.52 -1.24 -4.92 119.66 118.14 1bld s GLN 143 Ca 0.00 1.26 0.29 0.00 -1.95 0.00 0.00 55.36 54.96 1bld s GLN 143 Cb 0.00 -3.43 1.35 0.00 -0.22 0.00 0.00 33.01 30.72 1bld s GLN 143 CO 0.00 0.07 1.92 1.63 -0.25 0.00 0.00 175.29 178.66 1bld n LYS 144 N 3.51 1.08 0.00 2.91 5.02 -1.26 -3.80 118.16 125.61 1bld n LYS 144 Ca 0.02 -0.40 0.01 0.00 -2.02 0.00 0.00 58.31 55.93 1bld n LYS 144 Cb 0.51 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.08 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bld n ALA 145 N -0.61 1.56 0.96 7.82 0.00 -1.26 -0.53 120.51 128.45 1bld n ALA 145 Ca 0.18 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1bld n ALA 145 Cb 0.25 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.01 0.02 -2.83 0.00 -5.35 -1.25 -4.37 119.36 104.58 1bld n ILE 146 Ca 0.01 -0.02 -0.43 0.00 -0.27 0.00 0.00 62.75 62.04 1bld n ILE 146 Cb 0.01 0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 38.37 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 -3.09 4.57 0.44 7.28 1.43 0.31 -4.21 118.68 125.42 1bld s LEU 147 Ca 0.09 -1.74 0.05 0.00 -1.03 0.00 0.00 54.13 51.50 1bld s LEU 147 Cb 0.17 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.95 1bld s LEU 147 CO 0.77 -1.23 0.62 -0.36 0.23 0.00 0.00 176.35 176.37 1bld s PHE 148 N 3.45 2.93 -0.41 0.29 0.40 -0.57 -3.20 117.98 120.87 1bld s PHE 148 Ca 0.34 -0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.57 1bld s PHE 148 Cb -0.05 -2.40 0.24 0.00 0.51 0.00 0.00 43.02 41.32 1bld s PHE 148 CO -0.07 -0.46 0.59 -0.11 0.70 0.00 0.00 175.22 175.88 1bld n LEU 149 N -1.97 -0.52 -4.62 -0.37 7.94 -0.71 -1.15 117.00 115.60 1bld n LEU 149 Ca 0.06 -4.38 -0.43 0.00 -1.11 0.00 0.00 56.01 50.15 1bld n LEU 149 Cb 0.59 0.68 -0.03 0.00 0.53 0.00 0.00 43.42 45.19 1bld n LEU 149 CO 0.42 2.05 1.68 -2.84 -1.11 0.00 0.00 177.39 177.59 1bld s PRO 150 N -0.73 3.48 -0.34 1.96 0.02 -1.26 -3.89 135.00 134.24 1bld s PRO 150 Ca 0.34 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 63.25 1bld s PRO 150 Cb 0.18 -4.25 -0.02 0.00 0.02 0.00 0.00 34.50 30.43 1bld s PRO 150 CO -0.14 -1.70 0.32 -1.64 -0.33 0.00 0.00 177.00 173.50 1bld s MET 151 N 5.60 3.57 0.78 5.54 -1.94 -0.94 -4.92 119.30 126.98 1bld s MET 151 Ca 0.91 -0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 54.29 1bld s MET 151 Cb -0.33 -3.80 0.06 0.00 2.01 0.00 0.00 34.83 32.78 1bld s MET 151 CO 0.35 -0.48 1.14 0.45 -0.01 0.00 0.00 175.02 176.48 1bld s SER 152 N 1.73 4.11 -1.00 3.03 0.15 -1.26 -2.97 113.70 117.48 1bld s SER 152 Ca 0.10 2.11 -0.07 0.00 0.70 0.00 0.00 55.95 58.79 1bld s SER 152 Cb -0.17 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1bld s SER 152 CO 0.11 -2.31 2.89 0.00 1.20 0.00 0.00 173.24 175.14 1bld n ALA 153 N -3.26 6.91 0.28 5.45 0.00 -1.10 -4.68 120.51 124.11 1bld n ALA 153 Ca 0.11 -3.27 -0.17 0.00 0.00 0.00 0.00 53.44 50.11 1bld n ALA 153 Cb 0.52 -2.76 -0.09 0.00 0.00 0.00 0.00 19.45 17.12 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 4.12 -0.85 0.00 0.00 1.79 -1.91 -3.49 116.57 116.23 1bld h LYS 154 Ca 0.60 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1bld h LYS 154 Cb 0.61 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1bld h LYS 154 CO 1.22 -0.57 0.00 0.45 -1.08 0.00 0.00 179.45 179.47