#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 -2.97 -5.12 0.00 -1.26 -5.09 120.51 106.07 1bld n ALA 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 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 -2.26 -2.37 -1.47 0.00 4.71 -1.26 -4.73 120.64 113.25 1bld n GLU 3 Ca 0.00 2.03 -0.40 0.00 -0.01 0.00 0.00 57.16 58.79 1bld n GLU 3 Cb 0.00 -4.24 -0.02 0.00 -1.01 0.00 0.00 31.44 26.18 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bld n GLY 4 N 0.34 4.18 4.80 0.62 0.00 -1.26 -4.92 105.19 108.94 1bld n GLY 4 Ca 0.03 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.58 1bld n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bld n GLU 5 N 5.02 -0.42 -1.56 1.61 4.07 -1.26 -4.51 120.64 123.59 1bld n GLU 5 Ca 0.63 0.27 -0.43 0.00 -0.06 0.00 0.00 57.16 57.57 1bld n GLU 5 Cb 0.31 -0.51 -0.00 0.00 -0.06 0.00 0.00 31.44 31.18 1bld n GLU 5 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1bld n ILE 6 N -1.24 2.09 -1.70 6.31 -0.00 -1.26 -4.71 119.36 118.85 1bld n ILE 6 Ca 0.00 -0.50 -0.58 0.00 -0.00 0.00 0.00 62.75 61.67 1bld n ILE 6 Cb 0.09 -0.92 -0.07 0.00 -0.00 0.00 0.00 39.64 38.75 1bld n ILE 6 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1bld n THR 7 N -0.20 0.24 -1.69 1.39 5.66 -1.26 -4.79 114.28 113.63 1bld n THR 7 Ca 0.10 -0.04 -0.44 0.00 -3.05 0.00 0.00 64.05 60.62 1bld n THR 7 Cb 0.35 -1.09 -0.04 0.00 -1.55 0.00 0.00 70.33 68.00 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 4.22 0.19 -3.30 1.09 5.66 -1.26 -4.94 114.28 115.93 1bld n THR 8 Ca 0.26 -0.03 -0.41 0.00 -3.05 0.00 0.00 64.05 60.82 1bld n THR 8 Cb 0.12 -1.88 -0.08 0.00 -1.55 0.00 0.00 70.33 66.94 1bld n THR 8 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1bld s LEU 9 N 1.94 4.26 0.00 1.09 2.01 -1.26 -5.06 118.68 121.64 1bld s LEU 9 Ca 0.81 0.08 -0.21 0.00 0.01 0.00 0.00 54.13 54.82 1bld s LEU 9 Cb -0.57 -2.52 0.33 0.00 0.01 0.00 0.00 46.19 43.43 1bld s LEU 9 CO 0.38 -0.37 0.74 -2.65 1.01 0.00 0.00 176.35 175.46 1bld n PRO 10 N 5.56 -4.50 -0.95 1.29 -0.02 -1.26 -4.54 135.00 130.58 1bld n PRO 10 Ca -0.06 -1.24 -0.17 0.00 -2.02 0.00 0.00 63.50 60.00 1bld n PRO 10 Cb 0.49 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bld n ALA 11 N -5.44 5.99 -0.07 3.55 0.00 -1.26 -4.29 120.51 118.99 1bld n ALA 11 Ca -0.17 -2.02 -0.22 0.00 0.00 0.00 0.00 53.44 51.04 1bld n ALA 11 Cb 0.51 -2.58 -0.12 0.00 0.00 0.00 0.00 19.45 17.26 1bld n ALA 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bld h LEU 12 N 5.77 0.11 -8.16 0.00 3.38 -1.97 -3.42 115.31 111.03 1bld h LEU 12 Ca 0.34 -0.63 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 1bld h LEU 12 Cb 1.02 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1bld h LEU 12 CO 0.67 1.58 0.75 -2.16 0.09 0.00 0.00 178.44 179.37 1bld s PRO 13 N -2.41 2.41 -0.34 1.13 0.05 -1.26 -4.43 135.00 130.14 1bld s PRO 13 Ca -0.27 -0.48 0.04 0.00 0.05 0.00 0.00 61.00 60.34 1bld s PRO 13 Cb 0.06 -5.09 0.20 0.00 0.05 0.00 0.00 34.50 29.72 1bld s PRO 13 CO 0.64 -3.71 1.20 -1.91 0.05 0.00 0.00 177.00 173.27 1bld n GLU 14 N 8.67 0.41 0.30 4.56 4.07 -1.26 -4.98 120.64 132.41 1bld n GLU 14 Ca 0.42 -0.99 0.17 0.00 -0.06 0.00 0.00 57.16 56.70 1bld n GLU 14 Cb 0.47 -0.13 0.99 0.00 -0.06 0.00 0.00 31.44 32.70 1bld n GLU 14 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1bld h ASP 15 N 1.68 0.00 -0.32 4.31 1.82 -1.97 0.23 116.42 122.17 1bld h ASP 15 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1bld h ASP 15 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1bld h ASP 15 CO -0.11 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.13 1bld n GLY 16 N -1.27 1.02 0.52 -0.78 0.00 -1.26 -4.10 105.19 99.32 1bld n GLY 16 Ca -0.03 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 1.29 1.14 2.48 -0.02 0.00 0.82 -4.38 105.19 106.53 1bld n GLY 17 Ca 0.17 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.02 7.79 0.00 1.61 3.41 -1.26 -4.53 113.62 120.62 1bld n SER 18 Ca 0.03 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1bld n SER 18 Cb 0.28 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 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 1.55 -0.44 0.30 5.00 0.00 -1.26 -5.13 105.19 105.20 1bld n GLY 19 Ca 0.60 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.03 0.00 -3.12 4.61 0.00 -1.26 -5.04 120.51 113.67 1bld n ALA 20 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1bld n ALA 20 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.15 -0.77 -1.85 0.00 3.72 -1.26 -5.06 117.46 111.09 1bld n PHE 21 Ca 0.00 -3.31 -0.43 0.00 -0.05 0.00 0.00 57.45 53.66 1bld n PHE 21 Cb 0.00 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.03 3.64 -0.52 -1.08 0.05 -1.26 -4.89 135.00 129.90 1bld s PRO 22 Ca 0.35 1.97 -0.26 0.00 0.05 0.00 0.00 61.00 63.11 1bld s PRO 22 Cb 0.20 -4.18 -0.06 0.00 0.05 0.00 0.00 34.50 30.51 1bld s PRO 22 CO -0.12 -1.51 2.28 -1.25 0.05 0.00 0.00 177.00 176.45 1bld s PRO 23 N 5.21 2.21 0.00 0.56 0.05 -1.26 -3.94 135.00 137.83 1bld s PRO 23 Ca 0.85 1.20 0.00 0.00 0.05 0.00 0.00 61.00 63.10 1bld s PRO 23 Cb -0.31 -4.54 0.00 0.00 0.05 0.00 0.00 34.50 29.70 1bld s PRO 23 CO 0.34 -3.17 0.00 0.41 0.05 0.00 0.00 177.00 174.63 1bld n GLY 24 N 5.94 0.00 2.56 0.56 0.00 -1.26 -5.07 105.19 107.92 1bld n GLY 24 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 1bld n GLY 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bld n HIS 25 N 0.00 -0.30 -2.60 1.61 -0.00 -1.25 -4.90 115.22 107.77 1bld n HIS 25 Ca 0.00 -2.79 0.03 0.00 -0.00 0.00 0.00 57.72 54.95 1bld n HIS 25 Cb 0.00 0.25 0.03 0.00 -0.00 0.00 0.00 29.99 30.27 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1bld n PHE 26 N -0.04 0.39 -0.42 1.57 3.01 -1.26 -4.84 117.46 115.87 1bld n PHE 26 Ca 0.10 -1.02 0.06 0.00 1.01 0.00 0.00 57.45 57.60 1bld n PHE 26 Cb 0.77 -0.16 0.31 0.00 -0.01 0.00 0.00 39.48 40.39 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 0.14 3.90 -3.73 -1.08 5.02 -1.26 -4.85 118.16 116.29 1bld n LYS 27 Ca 0.06 -2.43 -0.14 0.00 -2.02 0.00 0.00 58.31 53.78 1bld n LYS 27 Cb 1.03 -2.04 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s ASP 28 N -0.64 -0.26 0.78 4.39 1.11 -1.26 -5.08 116.67 115.71 1bld s ASP 28 Ca 0.42 0.21 -0.14 0.00 0.18 0.00 0.00 52.55 53.22 1bld s ASP 28 Cb 0.31 0.37 0.06 0.00 1.07 0.00 0.00 42.92 44.73 1bld s ASP 28 CO 0.14 -0.44 1.14 -0.81 1.18 0.00 0.00 175.17 176.37 1bld n PRO 29 N 1.34 0.31 -4.24 8.23 -0.04 -1.26 -4.66 135.00 134.68 1bld n PRO 29 Ca -0.21 0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 1bld n PRO 29 Cb 0.56 -2.39 -0.17 0.00 -0.04 0.00 0.00 33.50 31.47 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 -3.88 2.29 -0.27 0.54 -0.14 -0.91 -2.37 119.74 114.99 1bld s LYS 30 Ca 0.74 -0.57 -0.25 0.00 -1.36 0.00 0.00 55.97 54.53 1bld s LYS 30 Cb -0.31 -2.02 -0.00 0.00 -1.68 0.00 0.00 37.83 33.82 1bld s LYS 30 CO 0.50 -0.15 0.84 1.03 -0.76 0.00 0.00 175.35 176.82 1bld s ARG 31 N 1.24 4.09 -0.63 1.68 0.52 -0.97 -4.22 118.95 120.67 1bld s ARG 31 Ca -0.01 0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 55.79 1bld s ARG 31 Cb -0.14 -3.68 0.05 0.00 0.52 0.00 0.00 34.95 31.69 1bld s ARG 31 CO -0.06 -0.62 1.05 -0.51 0.02 0.00 0.00 175.30 175.18 1bld s LEU 32 N 2.97 3.92 -0.23 2.53 1.43 -1.26 -2.38 118.68 125.66 1bld s LEU 32 Ca 0.35 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 1bld s LEU 32 Cb -0.15 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1bld s LEU 32 CO 0.10 -1.45 0.35 -0.47 0.23 0.00 0.00 176.35 175.11 1bld s TYR 33 N 4.47 3.32 -0.30 0.29 5.04 -1.24 -2.25 117.35 126.67 1bld s TYR 33 Ca 0.30 0.48 -0.19 0.00 -2.44 0.00 0.00 57.07 55.22 1bld s TYR 33 Cb -0.12 -2.50 -0.01 0.00 0.35 0.00 0.00 41.96 39.68 1bld s TYR 33 CO 0.16 -0.07 0.56 0.00 -1.34 0.00 0.00 175.55 174.86 1bld n LYS 35 N 5.74 0.16 -2.71 0.00 0.00 -1.17 -2.24 118.16 117.93 1bld n LYS 35 Ca -0.03 0.54 -0.42 0.00 0.00 0.00 0.00 58.31 58.40 1bld n LYS 35 Cb 0.49 -1.92 -0.03 0.00 0.00 0.00 0.00 35.03 33.57 1bld n LYS 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1bld s ASN 36 N -4.12 6.35 0.00 3.14 -0.87 -1.26 -3.58 114.94 114.60 1bld s ASN 36 Ca 0.01 -0.22 0.00 0.00 -1.57 0.00 0.00 52.86 51.07 1bld s ASN 36 Cb 0.07 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 1bld s ASN 36 CO 0.28 -1.40 0.00 0.61 -2.57 0.00 0.00 177.10 174.02 1bld n GLY 37 N 5.13 0.50 3.23 0.66 0.00 -1.26 -4.02 105.19 109.43 1bld n GLY 37 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.84 -0.95 3.10 -0.02 0.00 -1.01 -5.00 105.19 99.48 1bld n GLY 38 Ca 0.00 0.92 -0.26 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.51 1.70 -0.30 1.61 0.08 -0.95 -4.64 117.98 112.96 1bld s PHE 39 Ca 0.17 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.50 1bld s PHE 39 Cb -0.03 -1.17 -0.02 0.00 -0.57 0.00 0.00 43.02 41.22 1bld s PHE 39 CO 0.81 -0.23 0.44 -0.06 -0.10 0.00 0.00 175.22 176.08 1bld s PHE 40 N 0.28 3.22 0.23 0.36 0.40 -0.98 -0.90 117.98 120.59 1bld s PHE 40 Ca -0.09 0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.26 1bld s PHE 40 Cb -0.14 -2.71 -0.15 0.00 0.51 0.00 0.00 43.02 40.53 1bld s PHE 40 CO 0.03 -0.36 1.05 -0.11 0.70 0.00 0.00 175.22 176.54 1bld n LEU 41 N 5.49 1.50 -3.66 -0.37 7.94 -0.96 -1.77 117.00 125.17 1bld n LEU 41 Ca -0.07 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 55.87 1bld n LEU 41 Cb 0.50 -1.24 -0.12 0.00 0.53 0.00 0.00 43.42 43.09 1bld n LEU 41 CO 0.40 -1.45 -0.09 -0.60 -1.11 0.00 0.00 177.39 174.54 1bld s ARG 42 N -1.00 0.19 -0.37 1.96 3.52 0.35 -4.69 118.95 118.92 1bld s ARG 42 Ca 0.65 0.82 -0.18 0.00 -0.13 0.00 0.00 55.73 56.89 1bld s ARG 42 Cb -0.78 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 1bld s ARG 42 CO 0.56 -0.28 0.52 0.42 -0.81 0.00 0.00 175.30 175.71 1bld s ILE 43 N 2.47 5.00 0.46 4.11 1.01 -1.26 -2.49 121.20 130.51 1bld s ILE 43 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 1bld s ILE 43 Cb -0.12 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 1bld s ILE 43 CO -0.10 -0.28 1.02 -1.00 0.00 0.00 0.00 174.94 174.58 1bld s HIS 44 N 2.41 3.11 0.61 3.97 3.76 -0.96 -4.81 115.29 123.38 1bld s HIS 44 Ca 0.18 1.60 0.32 0.00 -0.15 0.00 0.00 55.06 57.01 1bld s HIS 44 Cb -0.15 -3.02 1.88 0.00 1.11 0.00 0.00 32.58 32.39 1bld s HIS 44 CO 0.14 -0.63 2.21 -1.00 -0.85 0.00 0.00 174.74 174.61 1bld h PRO 45 N 1.77 0.00 0.00 8.40 0.13 -1.95 0.11 132.00 140.46 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bld h PRO 45 CO 0.60 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 1bld n ASP 46 N -3.63 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 113.95 1bld n ASP 46 Ca -0.01 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 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 0.44 2.57 3.54 6.12 0.00 0.39 -4.98 105.19 113.27 1bld n GLY 47 Ca 0.14 -0.19 -0.55 0.00 0.00 0.00 0.00 46.02 45.42 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 0.98 -3.48 1.61 5.12 -1.26 -4.07 116.66 115.55 1bld n ARG 48 Ca 0.00 0.32 -0.38 0.00 -1.93 0.00 0.00 57.85 55.86 1bld n ARG 48 Cb 0.00 -2.17 -0.08 0.00 -1.16 0.00 0.00 32.46 29.05 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bld s VAL 49 N 5.37 5.26 0.00 1.55 1.01 -1.26 -2.26 120.40 130.07 1bld s VAL 49 Ca 1.06 0.52 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1bld s VAL 49 Cb -1.04 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1bld s VAL 49 CO 0.59 0.28 0.00 -0.90 0.00 0.00 0.00 175.10 175.07 1bld n ASP 50 N 4.43 0.00 -3.98 3.32 5.75 -1.04 -4.41 116.55 120.62 1bld n ASP 50 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.59 1bld n ASP 50 Cb 0.51 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.52 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 0.37 -0.07 6.12 0.00 -1.17 -0.49 107.32 112.07 1bld s GLY 51 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 1bld s GLY 51 CO 0.00 -1.03 0.25 -1.34 0.00 0.00 0.00 173.10 170.98 1bld s VAL 52 N -3.92 0.02 -2.00 1.40 -7.23 -0.73 -4.86 120.40 103.08 1bld s VAL 52 Ca 0.09 -0.15 0.23 0.00 -1.81 0.00 0.00 61.98 60.35 1bld s VAL 52 Cb 0.06 -0.41 0.66 0.00 0.56 0.00 0.00 36.38 37.25 1bld s VAL 52 CO -0.08 -0.08 1.81 0.54 -0.31 0.00 0.00 175.10 176.98 1bld n ARG 53 N 2.52 0.85 -2.85 4.82 1.74 -1.26 -2.32 116.66 120.16 1bld n ARG 53 Ca -0.15 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.49 1bld n ARG 53 Cb 0.58 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bld s GLU 54 N -2.00 3.89 -0.77 5.56 2.02 -1.26 -4.87 118.70 121.27 1bld s GLU 54 Ca 0.35 -2.13 -0.08 0.00 0.02 0.00 0.00 54.97 53.13 1bld s GLU 54 Cb 0.16 -5.12 -0.17 0.00 0.10 0.00 0.00 34.13 29.10 1bld s GLU 54 CO 0.27 -1.88 3.15 0.36 0.02 0.00 0.00 175.26 177.18 1bld n LYS 55 N 6.61 2.69 0.00 1.61 2.85 -1.26 -3.47 118.16 127.19 1bld n LYS 55 Ca 0.35 -1.52 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 1bld n LYS 55 Cb 0.46 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 1bld n LYS 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1bld n SER 56 N 3.10 0.00 -4.83 -5.58 7.64 -1.26 -4.75 113.62 107.94 1bld n SER 56 Ca 0.58 -1.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.08 1bld n SER 56 Cb 0.54 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bld s ASP 57 N 0.00 6.73 0.00 6.43 1.01 -1.23 -4.74 116.67 124.87 1bld s ASP 57 Ca 0.00 0.87 0.02 0.00 0.71 0.00 0.00 52.55 54.15 1bld s ASP 57 Cb 0.00 -2.22 0.11 0.00 1.01 0.00 0.00 42.92 41.82 1bld s ASP 57 CO 0.00 0.31 0.67 -0.81 0.21 0.00 0.00 175.17 175.55 1bld n PRO 58 N 2.03 0.05 0.15 8.23 -0.04 -1.26 -1.49 135.00 142.67 1bld n PRO 58 Ca -0.14 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1bld n PRO 58 Cb 0.53 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bld h HIS 59 N 0.00 0.00 0.00 0.54 3.86 -1.95 -3.20 115.15 114.41 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 0.21 0.00 0.44 0.86 0.00 0.00 177.93 179.44 1bld n ILE 60 N -3.02 0.00 -3.17 2.45 -5.35 -0.56 -4.45 119.36 105.26 1bld n ILE 60 Ca 0.01 0.00 -0.45 0.00 -0.27 0.00 0.00 62.75 62.03 1bld n ILE 60 Cb 0.63 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.30 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 3.76 -0.05 6.28 1.02 -1.21 -4.55 119.74 122.99 1bld s LYS 61 Ca 0.08 -2.40 -0.17 0.00 0.02 0.00 0.00 55.97 53.51 1bld s LYS 61 Cb 0.04 -4.66 -0.05 0.00 -0.52 0.00 0.00 37.83 32.63 1bld s LYS 61 CO 0.06 -1.48 0.45 -0.51 -0.92 0.00 0.00 175.35 172.96 1bld s LEU 62 N 0.82 4.39 -0.44 3.17 1.43 -1.26 -3.83 118.68 122.95 1bld s LEU 62 Ca 0.27 0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 54.08 1bld s LEU 62 Cb -0.08 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.52 1bld s LEU 62 CO -0.08 0.17 0.60 -1.58 0.23 0.00 0.00 176.35 175.69 1bld s GLN 63 N -0.29 3.22 0.31 1.70 0.74 0.17 -2.14 119.66 123.37 1bld s GLN 63 Ca 0.25 -0.50 -0.06 0.00 0.05 0.00 0.00 55.36 55.09 1bld s GLN 63 Cb -0.16 -3.97 -0.06 0.00 1.10 0.00 0.00 33.01 29.93 1bld s GLN 63 CO 0.12 -1.00 0.60 -0.51 -0.55 0.00 0.00 175.29 173.96 1bld s LEU 64 N 2.66 4.01 0.00 3.68 1.02 -1.26 -0.90 118.68 127.90 1bld s LEU 64 Ca 0.20 0.82 0.00 0.00 0.02 0.00 0.00 54.13 55.17 1bld s LEU 64 Cb -0.15 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.41 1bld s LEU 64 CO 0.17 -0.23 -0.02 -1.10 0.02 0.00 0.00 176.35 175.19 1bld s GLN 65 N -3.58 0.16 0.23 1.70 -0.21 0.95 -4.89 119.66 114.01 1bld s GLN 65 Ca 0.46 -0.17 -0.20 0.00 0.02 0.00 0.00 55.36 55.46 1bld s GLN 65 Cb -0.11 -0.08 -0.08 0.00 1.00 0.00 0.00 33.01 33.74 1bld s GLN 65 CO 0.30 0.02 0.75 0.00 -2.12 0.00 0.00 175.29 174.23 1bld s ALA 66 N -0.32 3.40 -0.04 6.09 0.00 -1.26 0.08 121.76 129.71 1bld s ALA 66 Ca -0.03 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1bld s ALA 66 Cb -0.02 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.25 1bld s ALA 66 CO -0.00 0.31 0.15 -2.00 0.00 0.00 0.00 175.76 174.22 1bld s GLU 67 N -1.94 0.28 1.16 0.00 2.56 -0.32 -4.83 118.70 115.62 1bld s GLU 67 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.97 55.40 1bld s GLU 67 Cb -0.17 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.09 1bld s GLU 67 CO 0.21 -0.05 0.00 0.39 -0.56 0.00 0.00 175.26 175.25 1bld n GLU 68 N 2.47 0.00 0.00 4.30 -0.58 -1.26 -3.22 120.64 122.35 1bld n GLU 68 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1bld n GLU 68 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 1bld n GLU 68 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1bld n ARG 69 N 0.00 0.00 -0.03 3.49 0.63 -1.26 -4.91 116.66 114.58 1bld n ARG 69 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1bld n ARG 69 Cb 0.00 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.01 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bld n GLY 70 N 0.00 -0.69 3.40 5.14 0.00 -1.26 -4.65 105.19 107.14 1bld n GLY 70 Ca 0.00 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.92 4.74 -0.19 1.61 1.01 -1.20 -3.01 120.40 121.45 1bld s VAL 71 Ca 0.08 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1bld s VAL 71 Cb 0.04 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1bld s VAL 71 CO 0.06 -1.27 0.39 0.68 0.00 0.00 0.00 175.10 174.96 1bld s VAL 72 N 2.85 5.21 -0.15 2.92 -7.23 -1.25 -1.18 120.40 121.58 1bld s VAL 72 Ca 0.18 0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 60.90 1bld s VAL 72 Cb -0.18 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 1bld s VAL 72 CO 0.03 0.27 0.35 -0.44 -0.31 0.00 0.00 175.10 175.01 1bld s SER 73 N 0.95 6.51 0.16 4.85 0.01 0.11 -3.96 113.70 122.34 1bld s SER 73 Ca 0.19 0.60 -0.06 0.00 1.31 0.00 0.00 55.95 58.00 1bld s SER 73 Cb -0.15 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 1bld s SER 73 CO 0.08 0.07 0.41 -0.63 0.41 0.00 0.00 173.24 173.58 1bld s ILE 74 N 0.50 5.12 -0.13 1.44 1.01 -1.26 -0.03 121.20 127.84 1bld s ILE 74 Ca 0.19 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 1bld s ILE 74 Cb -0.14 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.76 1bld s ILE 74 CO 0.06 0.01 0.32 -0.75 0.00 0.00 0.00 174.94 174.58 1bld s LYS 75 N -2.71 0.29 0.11 2.79 2.36 -0.07 -4.09 119.74 118.43 1bld s LYS 75 Ca 0.42 0.64 -0.28 0.00 -2.55 0.00 0.00 55.97 54.21 1bld s LYS 75 Cb -0.12 -0.07 -0.06 0.00 -1.05 0.00 0.00 37.83 36.53 1bld s LYS 75 CO 0.24 -0.16 0.89 0.20 1.55 0.00 0.00 175.35 178.07 1bld s GLY 76 N 1.30 2.95 0.00 5.54 0.00 -0.37 0.42 107.32 117.16 1bld s GLY 76 Ca -0.09 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1bld s GLY 76 CO -0.10 1.27 0.00 -0.62 0.00 0.00 0.00 173.10 173.64 1bld n VAL 77 N 2.53 0.00 -0.09 1.40 0.31 -1.25 -1.74 118.33 119.48 1bld n VAL 77 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1bld n VAL 77 Cb 0.49 -0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.36 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 -1.45 -0.07 4.52 0.87 -1.85 0.70 113.55 116.26 1bld h SER 78 Ca 0.00 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1bld h SER 78 Cb 0.00 0.62 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1bld h SER 78 CO 0.00 -0.39 0.08 0.00 -0.53 0.00 0.00 176.83 175.99 1bld h ALA 79 N 0.29 1.68 -6.35 6.23 0.00 -1.87 -3.45 119.26 115.77 1bld h ALA 79 Ca 0.11 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.54 1bld h ALA 79 Cb 0.60 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1bld h ALA 79 CO -0.53 -0.12 -0.82 0.09 0.00 0.00 0.00 179.25 177.87 1bld n ASN 80 N -3.89 -2.37 -4.03 0.00 4.13 0.24 -4.96 115.26 104.38 1bld n ASN 80 Ca -0.01 -0.88 -0.12 0.00 1.68 0.00 0.00 54.58 55.24 1bld n ASN 80 Cb 0.18 -3.56 -0.12 0.00 -1.54 0.00 0.00 39.78 34.74 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 -6.46 0.45 -0.10 3.52 0.52 -1.19 -4.71 118.95 110.98 1bld s ARG 81 Ca 0.31 -0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 54.69 1bld s ARG 81 Cb -0.16 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 1bld s ARG 81 CO 0.85 0.03 0.51 0.71 0.02 0.00 0.00 175.30 177.43 1bld s TYR 82 N -1.22 3.54 0.31 -0.53 1.51 0.20 -1.23 117.35 119.93 1bld s TYR 82 Ca -0.10 0.96 -0.29 0.00 -1.01 0.00 0.00 57.07 56.63 1bld s TYR 82 Cb -0.09 -2.58 -0.11 0.00 -0.11 0.00 0.00 41.96 39.08 1bld s TYR 82 CO 0.00 0.19 1.42 -1.17 -1.11 0.00 0.00 175.55 174.89 1bld s LEU 83 N 0.50 4.38 -0.08 -1.29 2.96 -1.26 -2.17 118.68 121.72 1bld s LEU 83 Ca 0.28 2.81 -0.14 0.00 -0.22 0.00 0.00 54.13 56.85 1bld s LEU 83 Cb -0.16 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 42.92 1bld s LEU 83 CO 0.12 -0.71 0.34 0.00 -1.32 0.00 0.00 176.35 174.78 1bld s ALA 84 N -0.68 -0.86 -0.02 5.97 0.00 -0.96 -4.41 121.76 120.80 1bld s ALA 84 Ca 0.54 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 1bld s ALA 84 Cb -0.43 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1bld s ALA 84 CO 0.52 -0.21 0.23 1.41 0.00 0.00 0.00 175.76 177.71 1bld s MET 85 N -0.51 3.54 0.83 0.00 1.75 -1.25 -2.17 119.30 121.49 1bld s MET 85 Ca -0.06 -0.13 -0.11 0.00 -1.25 0.00 0.00 55.69 54.14 1bld s MET 85 Cb -0.04 -3.10 0.13 0.00 2.84 0.00 0.00 34.83 34.66 1bld s MET 85 CO 0.02 0.67 1.17 0.15 -0.65 0.00 0.00 175.02 176.39 1bld s LYS 86 N -1.68 1.46 0.27 4.11 -0.14 -0.59 -4.95 119.74 118.22 1bld s LYS 86 Ca 0.26 -0.35 0.26 0.00 -1.36 0.00 0.00 55.97 54.77 1bld s LYS 86 Cb -0.13 -2.01 0.76 0.00 -1.68 0.00 0.00 37.83 34.77 1bld s LYS 86 CO 0.15 -1.81 1.75 0.93 -0.76 0.00 0.00 175.35 175.60 1bld h GLU 87 N -1.11 0.00 0.07 1.68 5.08 -1.99 -3.29 114.58 115.02 1bld h GLU 87 Ca -0.44 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.57 1bld h GLU 87 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1bld h GLU 87 CO 0.50 0.00 -2.04 -0.40 -1.00 0.00 0.00 179.01 176.08 1bld n ASP 88 N -2.44 2.04 0.00 1.42 5.68 -1.26 -4.99 116.55 117.00 1bld n ASP 88 Ca 0.05 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1bld n ASP 88 Cb 0.42 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N 1.90 0.24 3.69 6.12 0.00 -1.24 -4.76 105.19 111.14 1bld n GLY 89 Ca -0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 4.36 0.04 1.61 0.52 -1.26 -3.64 118.95 120.57 1bld s ARG 90 Ca 0.00 1.69 -0.15 0.00 -0.52 0.00 0.00 55.73 56.76 1bld s ARG 90 Cb 0.00 -3.53 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 1bld s ARG 90 CO 0.00 -0.42 0.44 -0.51 0.02 0.00 0.00 175.30 174.83 1bld s LEU 91 N 2.05 4.45 0.00 2.53 1.02 -1.26 -1.55 118.68 125.92 1bld s LEU 91 Ca 0.56 0.99 0.00 0.00 0.02 0.00 0.00 54.13 55.70 1bld s LEU 91 Cb -0.26 -2.75 -0.00 0.00 0.02 0.00 0.00 46.19 43.21 1bld s LEU 91 CO 0.23 0.28 0.06 0.00 0.02 0.00 0.00 176.35 176.94 1bld n LEU 92 N 1.57 0.00 -3.73 1.79 -0.00 -0.92 -4.33 117.00 111.38 1bld n LEU 92 Ca -0.12 -0.40 -0.25 0.00 -0.00 0.00 0.00 56.01 55.24 1bld n LEU 92 Cb 0.52 0.31 -0.17 0.00 -0.00 0.00 0.00 43.42 44.08 1bld n LEU 92 CO 0.39 -0.08 -0.37 0.00 -0.00 0.00 0.00 177.39 177.33 1bld s ALA 93 N -1.86 0.76 0.46 1.47 0.00 -1.26 -2.27 121.76 119.07 1bld s ALA 93 Ca 0.04 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.71 1bld s ALA 93 Cb -0.00 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1bld s ALA 93 CO 0.03 -0.83 0.63 -1.54 0.00 0.00 0.00 175.76 174.04 1bld s SER 94 N 1.96 5.55 -0.10 0.00 1.04 -0.92 -4.78 113.70 116.44 1bld s SER 94 Ca 0.02 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 1bld s SER 94 Cb -0.15 -0.70 -0.26 0.00 0.10 0.00 0.00 66.02 65.01 1bld s SER 94 CO -0.07 -0.87 0.46 0.11 0.98 0.00 0.00 173.24 173.86 1bld h LYS 95 N 0.48 0.24 -6.57 4.02 6.56 -1.87 0.57 116.57 120.00 1bld h LYS 95 Ca -0.40 -0.42 -0.48 0.00 -1.06 0.00 0.00 60.65 58.29 1bld h LYS 95 Cb 1.28 0.15 0.01 0.00 -0.57 0.00 0.00 32.23 33.11 1bld h LYS 95 CO 0.47 1.12 -0.15 -1.54 -2.06 0.00 0.00 179.45 177.29 1bld s SER 96 N -6.94 6.30 0.17 0.86 1.04 -1.26 -4.51 113.70 109.36 1bld s SER 96 Ca -0.19 0.53 -0.08 0.00 0.48 0.00 0.00 55.95 56.69 1bld s SER 96 Cb 0.07 -2.07 -0.06 0.00 0.10 0.00 0.00 66.02 64.06 1bld s SER 96 CO 0.79 -0.33 0.46 -0.69 0.98 0.00 0.00 173.24 174.46 1bld s VAL 97 N -2.36 5.04 0.26 5.02 1.01 -1.26 -4.71 120.40 123.39 1bld s VAL 97 Ca 0.41 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 1bld s VAL 97 Cb -0.10 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1bld s VAL 97 CO 0.37 0.03 0.37 0.42 0.00 0.00 0.00 175.10 176.29 1bld s THR 98 N -1.68 0.00 0.42 3.92 -4.23 -1.26 -5.01 115.64 107.79 1bld s THR 98 Ca 0.43 -1.64 0.22 0.00 -1.18 0.00 0.00 61.69 59.51 1bld s THR 98 Cb -0.12 -2.41 0.42 0.00 1.34 0.00 0.00 72.50 71.73 1bld s THR 98 CO 0.22 0.00 1.75 -0.78 -0.54 0.00 0.00 174.62 175.27 1bld h ASP 99 N 2.32 0.38 -1.18 3.99 3.58 -2.03 -2.35 116.42 121.13 1bld h ASP 99 Ca -0.29 0.08 -0.75 0.00 0.42 0.00 0.00 57.03 56.49 1bld h ASP 99 Cb 1.25 0.03 -0.13 0.00 1.72 0.00 0.00 39.33 42.19 1bld h ASP 99 CO 0.41 0.04 2.27 -0.62 -2.88 0.00 0.00 179.24 178.46 1bld n GLU 100 N -4.60 3.84 -0.26 0.28 1.02 -1.26 -4.09 120.64 115.57 1bld n GLU 100 Ca 0.27 -3.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1bld n GLU 100 Cb 0.99 -2.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 1.88 -0.10 0.00 0.40 -1.26 -4.45 117.98 114.45 1bld s PHE 102 Ca 0.00 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 55.81 1bld s PHE 102 Cb 0.00 -0.88 0.05 0.00 0.51 0.00 0.00 43.02 42.70 1bld s PHE 102 CO 0.00 0.43 0.20 -0.06 0.70 0.00 0.00 175.22 176.48 1bld s PHE 103 N -2.56 -0.26 -0.35 0.36 0.40 -1.25 -3.76 117.98 110.55 1bld s PHE 103 Ca 0.22 0.71 -0.28 0.00 -0.60 0.00 0.00 56.93 56.98 1bld s PHE 103 Cb -0.03 -0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.35 1bld s PHE 103 CO 0.08 -0.27 1.77 -0.06 0.70 0.00 0.00 175.22 177.44 1bld s PHE 104 N 2.02 1.85 0.33 0.36 0.08 0.06 -3.90 117.98 118.78 1bld s PHE 104 Ca -0.01 0.63 -0.15 0.00 0.12 0.00 0.00 56.93 57.52 1bld s PHE 104 Cb -0.12 -4.14 -0.09 0.00 -0.57 0.00 0.00 43.02 38.10 1bld s PHE 104 CO -0.07 -2.85 0.74 -2.00 -0.10 0.00 0.00 175.22 170.94 1bld s GLU 105 N 5.65 4.00 -0.30 0.44 2.12 -1.16 -1.12 118.70 128.32 1bld s GLU 105 Ca 0.78 0.67 -0.00 0.00 0.36 0.00 0.00 54.97 56.78 1bld s GLU 105 Cb -0.21 -2.42 0.14 0.00 0.26 0.00 0.00 34.13 31.89 1bld s GLU 105 CO 0.33 0.14 0.29 0.50 -0.54 0.00 0.00 175.26 175.98 1bld s ARG 106 N -3.03 0.36 0.20 4.30 3.52 -0.88 -4.93 118.95 118.49 1bld s ARG 106 Ca 0.54 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 55.52 1bld s ARG 106 Cb -0.10 -0.73 -0.10 0.00 -1.56 0.00 0.00 34.95 32.46 1bld s ARG 106 CO 0.18 -1.06 1.53 -1.17 -0.81 0.00 0.00 175.30 173.98 1bld s LEU 107 N 2.17 4.37 0.00 -0.88 0.20 -1.26 -3.32 118.68 119.96 1bld s LEU 107 Ca 0.11 2.66 0.00 0.00 0.69 0.00 0.00 54.13 57.59 1bld s LEU 107 Cb -0.15 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1bld s LEU 107 CO -0.28 -0.80 0.00 -0.62 -0.29 0.00 0.00 176.35 174.36 1bld n GLU 108 N 3.34 1.27 0.04 1.98 -0.58 -1.06 -4.99 120.64 120.64 1bld n GLU 108 Ca 0.11 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.95 1bld n GLU 108 Cb 0.39 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.17 1bld n GLU 108 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1bld n SER 109 N -2.05 0.46 -0.81 1.62 7.64 -1.26 -4.06 113.62 115.16 1bld n SER 109 Ca 0.00 0.18 -0.00 0.00 1.01 0.00 0.00 58.87 60.06 1bld n SER 109 Cb 0.00 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bld n ASN 110 N -2.52 2.21 0.00 6.43 2.04 -1.26 -4.77 115.26 117.39 1bld n ASN 110 Ca -0.04 -2.02 0.00 0.00 -0.44 0.00 0.00 54.58 52.09 1bld n ASN 110 Cb 0.61 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1bld n ASN 111 N 0.29 0.00 -4.77 0.53 4.13 -1.26 -4.92 115.26 109.26 1bld n ASN 111 Ca 0.01 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.88 1bld n ASN 111 Cb 0.41 -1.49 -0.06 0.00 -1.54 0.00 0.00 39.78 37.10 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 -1.33 3.69 0.52 3.10 2.02 -1.26 -4.86 117.35 119.22 1bld s TYR 112 Ca 0.00 1.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.86 1bld s TYR 112 Cb 0.00 -2.54 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 1bld s TYR 112 CO 0.00 0.40 0.74 -0.80 -1.57 0.00 0.00 175.55 174.32 1bld s ASN 113 N -0.34 5.42 -0.08 2.29 0.02 0.68 -2.56 114.94 120.37 1bld s ASN 113 Ca 0.29 0.02 -0.03 0.00 -1.02 0.00 0.00 52.86 52.12 1bld s ASN 113 Cb -0.18 -1.00 0.05 0.00 0.02 0.00 0.00 41.25 40.14 1bld s ASN 113 CO 0.16 -1.02 0.16 0.42 0.02 0.00 0.00 177.10 176.84 1bld s THR 114 N -2.69 -0.21 -0.35 1.60 -4.23 -1.21 -1.13 115.64 107.42 1bld s THR 114 Ca 0.55 0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 61.19 1bld s THR 114 Cb -0.10 -0.29 -0.00 0.00 1.34 0.00 0.00 72.50 73.44 1bld s THR 114 CO 0.38 0.13 0.49 -0.31 -0.54 0.00 0.00 174.62 174.77 1bld s TYR 115 N 2.00 3.18 -0.04 3.99 2.02 -1.26 -2.08 117.35 125.16 1bld s TYR 115 Ca -0.00 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.77 1bld s TYR 115 Cb -0.12 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1bld s TYR 115 CO -0.06 -0.53 0.23 0.50 -1.57 0.00 0.00 175.55 174.12 1bld s ARG 116 N 2.34 3.55 0.77 -0.62 3.52 -0.28 -2.54 118.95 125.69 1bld s ARG 116 Ca 0.18 -0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.60 1bld s ARG 116 Cb -0.16 -3.14 0.06 0.00 -1.56 0.00 0.00 34.95 30.16 1bld s ARG 116 CO 0.13 0.70 1.11 0.45 -0.81 0.00 0.00 175.30 176.88 1bld s SER 117 N -1.41 4.33 0.00 -2.12 0.15 -1.03 -0.76 113.70 112.86 1bld s SER 117 Ca 0.23 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.82 1bld s SER 117 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1bld s SER 117 CO 0.12 -2.15 0.00 -1.14 1.20 0.00 0.00 173.24 171.26 1bld n ARG 118 N -3.39 0.00 0.00 5.44 0.63 -1.25 -3.20 116.66 114.89 1bld n ARG 118 Ca 0.10 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1bld n ARG 118 Cb 0.52 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.93 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 -2.10 0.00 -3.17 -0.14 4.81 -1.26 -2.17 118.16 114.13 1bld n LYS 119 Ca 0.00 0.36 -0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1bld n LYS 119 Cb 0.00 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 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 -1.36 -0.00 0.00 5.64 4.01 -1.26 -4.91 117.16 119.28 1bld n TYR 120 Ca 0.00 -3.72 0.00 0.00 -0.16 0.00 0.00 57.90 54.02 1bld n TYR 120 Cb 0.13 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 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 0.37 0.21 0.80 -0.72 -2.24 -0.92 -0.94 114.28 110.84 1bld n THR 121 Ca 0.24 0.06 0.06 0.00 -2.27 0.00 0.00 64.05 62.13 1bld n THR 121 Cb 0.65 -1.06 0.16 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.02 2.02 -3.68 3.42 7.64 -1.26 -4.84 113.62 115.90 1bld n SER 122 Ca 0.00 -2.01 -0.14 0.00 1.01 0.00 0.00 58.87 57.73 1bld n SER 122 Cb 0.00 -0.26 -0.08 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 -1.52 -0.56 0.41 1.43 0.51 -0.11 -4.98 118.94 114.13 1bld s TRP 123 Ca 0.25 1.27 0.08 0.00 -2.12 0.00 0.00 56.10 55.58 1bld s TRP 123 Cb 0.13 0.22 -0.02 0.00 -0.81 0.00 0.00 33.47 32.99 1bld s TRP 123 CO 0.17 -0.34 0.38 0.71 -0.51 0.00 0.00 176.95 177.36 1bld s TYR 124 N -0.10 2.73 -0.02 -1.98 1.51 -1.26 -2.47 117.35 115.75 1bld s TYR 124 Ca -0.03 -0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 55.35 1bld s TYR 124 Cb -0.03 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1bld s TYR 124 CO 0.02 -0.12 0.57 0.08 -1.11 0.00 0.00 175.55 174.99 1bld s VAL 125 N -2.46 4.96 0.12 0.71 1.01 -1.05 -4.78 120.40 118.91 1bld s VAL 125 Ca 0.48 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 1bld s VAL 125 Cb -0.04 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 1bld s VAL 125 CO 0.28 0.41 0.24 0.00 0.00 0.00 0.00 175.10 176.03 1bld s ALA 126 N -0.11 -0.17 0.27 5.51 0.00 -1.26 -4.57 121.76 121.42 1bld s ALA 126 Ca 0.30 -0.69 0.10 0.00 0.00 0.00 0.00 51.96 51.67 1bld s ALA 126 Cb -0.18 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1bld s ALA 126 CO 0.16 -0.58 -0.16 -0.51 0.00 0.00 0.00 175.76 174.68 1bld s LEU 127 N -2.90 2.60 0.00 0.00 1.43 -1.26 -2.74 118.68 115.81 1bld s LEU 127 Ca 0.10 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1bld s LEU 127 Cb 0.04 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1bld s LEU 127 CO -0.06 -0.08 0.00 0.29 0.23 0.00 0.00 176.35 176.72 1bld n LYS 128 N -0.59 0.29 -0.04 1.70 5.02 0.36 -4.64 118.16 120.27 1bld n LYS 128 Ca -0.06 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.15 1bld n LYS 128 Cb 0.61 -0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.48 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 -1.01 0.64 0.00 1.97 1.85 -1.26 -3.82 116.66 115.04 1bld n ARG 129 Ca 0.00 0.22 0.09 0.00 -1.00 0.00 0.00 57.85 57.17 1bld n ARG 129 Cb 0.00 -1.73 0.55 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 -2.97 0.00 -0.42 8.89 5.66 -1.26 -4.78 114.28 119.40 1bld n THR 130 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1bld n THR 130 Cb 1.06 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.34 0.75 3.93 1.09 0.00 -1.25 -5.06 105.19 105.00 1bld n GLY 131 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.58 2.43 -0.26 1.61 -1.52 -1.26 -3.06 119.66 117.01 1bld s GLN 132 Ca 0.00 -0.26 -0.18 0.00 -1.95 0.00 0.00 55.36 52.97 1bld s GLN 132 Cb 0.00 -2.24 -0.03 0.00 -0.22 0.00 0.00 33.01 30.52 1bld s GLN 132 CO 0.00 -1.03 0.52 1.52 -0.25 0.00 0.00 175.29 176.05 1bld s TYR 133 N -3.12 3.27 0.22 0.91 1.13 -1.26 -0.49 117.35 118.02 1bld s TYR 133 Ca 0.58 0.65 -0.30 0.00 -1.41 0.00 0.00 57.07 56.59 1bld s TYR 133 Cb -0.11 -2.72 -0.09 0.00 -1.10 0.00 0.00 41.96 37.94 1bld s TYR 133 CO 0.44 -0.28 1.28 0.21 -2.51 0.00 0.00 175.55 174.69 1bld s LYS 134 N 2.29 4.42 0.97 -3.49 2.20 -1.11 -4.78 119.74 120.24 1bld s LYS 134 Ca 0.21 2.04 -0.15 0.00 -0.36 0.00 0.00 55.97 57.72 1bld s LYS 134 Cb -0.16 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1bld s LYS 134 CO 0.09 -0.19 -0.09 -0.11 -0.36 0.00 0.00 175.35 174.69 1bld n LEU 135 N 2.22 -2.52 -1.03 5.43 7.94 -1.26 -4.67 117.00 123.11 1bld n LEU 135 Ca 0.04 0.25 0.04 0.00 -1.11 0.00 0.00 56.01 55.24 1bld n LEU 135 Cb 0.43 -1.02 0.19 0.00 0.53 0.00 0.00 43.42 43.55 1bld n LEU 135 CO 0.57 -4.51 0.58 0.61 -1.11 0.00 0.00 177.39 173.54 1bld n GLY 136 N 2.30 1.75 0.02 -3.96 0.00 -1.24 -3.78 105.19 100.28 1bld n GLY 136 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 0.39 3.77 -0.18 1.61 3.41 -1.26 -4.55 113.62 116.81 1bld n SER 137 Ca 0.13 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.88 1bld n SER 137 Cb 0.59 0.76 0.48 0.00 -0.26 0.00 0.00 64.21 65.79 1bld n SER 137 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bld n LYS 138 N -2.07 0.76 -1.26 4.33 5.02 -1.25 -4.89 118.16 118.80 1bld n LYS 138 Ca -0.07 -0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 55.56 1bld n LYS 138 Cb 0.54 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 34.21 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 2.48 0.00 -0.18 -4.23 -1.26 -5.01 115.64 104.95 1bld s THR 139 Ca 0.26 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1bld s THR 139 Cb 0.20 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1bld s THR 139 CO 0.50 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1bld n GLY 140 N -1.30 -0.27 3.55 3.99 0.00 -1.26 -4.81 105.19 105.09 1bld n GLY 140 Ca 0.06 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.73 -0.33 0.00 1.61 0.04 -1.26 -3.64 135.00 129.69 1bld s PRO 141 Ca 0.00 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1bld s PRO 141 Cb 0.00 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1bld s PRO 141 CO 0.00 -3.39 0.00 0.41 0.04 0.00 0.00 177.00 174.06 1bld n GLY 142 N 0.61 2.32 3.73 0.56 0.00 -1.26 -4.98 105.19 106.17 1bld n GLY 142 Ca 0.06 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 4.40 0.00 1.61 -0.21 -1.24 -4.89 119.66 119.34 1bld s GLN 143 Ca 0.00 2.01 0.21 0.00 0.02 0.00 0.00 55.36 57.60 1bld s GLN 143 Cb 0.00 -3.21 0.97 0.00 1.00 0.00 0.00 33.01 31.76 1bld s GLN 143 CO 0.00 -0.24 1.66 1.63 -2.12 0.00 0.00 175.29 176.22 1bld n LYS 144 N 2.78 1.38 0.00 2.91 5.02 -1.26 -3.86 118.16 125.14 1bld n LYS 144 Ca 0.06 -0.57 0.02 0.00 -2.02 0.00 0.00 58.31 55.80 1bld n LYS 144 Cb 0.43 -1.36 0.11 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.22 1.46 1.17 7.82 0.00 -1.26 -0.66 120.51 128.82 1bld n ALA 145 Ca 0.16 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1bld n ALA 145 Cb 0.21 -1.07 0.24 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.21 0.00 -2.79 0.00 -5.35 -1.25 -4.39 119.36 104.38 1bld n ILE 146 Ca 0.02 -0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 61.88 1bld n ILE 146 Cb 0.03 0.75 -0.04 0.00 -1.74 0.00 0.00 39.64 38.64 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 -2.44 3.95 0.31 7.28 1.43 0.17 -4.10 118.68 125.29 1bld s LEU 147 Ca 0.23 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1bld s LEU 147 Cb 0.19 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1bld s LEU 147 CO 0.52 -1.18 -0.00 -0.36 0.23 0.00 0.00 176.35 175.55 1bld s PHE 148 N 4.01 2.58 -0.39 0.29 0.40 -0.28 -3.05 117.98 121.54 1bld s PHE 148 Ca 0.36 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.41 1bld s PHE 148 Cb -0.10 -1.35 0.24 0.00 0.51 0.00 0.00 43.02 42.31 1bld s PHE 148 CO 0.24 0.53 0.50 -0.11 0.70 0.00 0.00 175.22 177.09 1bld n LEU 149 N -0.92 0.05 -4.58 -0.37 7.94 -0.67 -0.23 117.00 118.22 1bld n LEU 149 Ca -0.05 -4.63 -0.40 0.00 -1.11 0.00 0.00 56.01 49.82 1bld n LEU 149 Cb 0.61 0.63 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.42 2.04 1.82 -2.84 -1.11 0.00 0.00 177.39 177.72 1bld s PRO 150 N -1.01 2.73 -0.20 1.96 0.02 -1.26 -3.68 135.00 133.57 1bld s PRO 150 Ca 0.35 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 62.77 1bld s PRO 150 Cb 0.16 -4.42 -0.05 0.00 0.02 0.00 0.00 34.50 30.21 1bld s PRO 150 CO -0.12 -2.56 0.12 -1.64 -0.33 0.00 0.00 177.00 172.47 1bld s MET 151 N 7.00 4.13 -0.08 5.54 -1.94 -1.00 -4.87 119.30 128.07 1bld s MET 151 Ca 0.91 -0.25 -0.30 0.00 -1.71 0.00 0.00 55.69 54.34 1bld s MET 151 Cb -0.23 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 1bld s MET 151 CO 0.30 0.25 1.49 0.45 -0.01 0.00 0.00 175.02 177.49 1bld s SER 152 N 0.50 6.79 -1.20 3.03 0.15 -1.26 -2.28 113.70 119.42 1bld s SER 152 Ca 0.07 2.04 -0.04 0.00 0.70 0.00 0.00 55.95 58.72 1bld s SER 152 Cb -0.12 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.85 1bld s SER 152 CO -0.00 -0.84 2.17 0.00 1.20 0.00 0.00 173.24 175.77 1bld n ALA 153 N 6.70 6.53 -1.00 5.45 0.00 -1.00 -4.64 120.51 132.55 1bld n ALA 153 Ca 0.16 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1bld n ALA 153 Cb 0.44 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 1.01 0.00 0.00 0.00 5.02 -1.26 -4.74 118.16 118.18 1bld n LYS 154 Ca 0.56 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.99 1bld n LYS 154 Cb 0.25 -0.44 0.41 0.00 -0.02 0.00 0.00 35.03 35.24 1bld n LYS 154 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75