#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h n SER 2 N 0.00 -6.01 -4.83 1.61 2.88 -1.26 -4.97 113.62 101.05 1x0h n SER 2 Ca 0.00 -0.21 -0.32 0.00 -1.33 0.00 0.00 58.87 57.01 1x0h n SER 2 Cb 0.00 -4.87 0.02 0.00 -0.75 0.00 0.00 64.21 58.60 1x0h n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x0h s SER 3 N -2.54 5.87 0.00 -3.46 0.01 -1.26 -4.92 113.70 107.40 1x0h s SER 3 Ca 0.22 1.61 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1x0h s SER 3 Cb -0.10 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1x0h s SER 3 CO 0.27 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1x0h n GLY 4 N -1.84 -2.22 0.18 3.44 0.00 -1.26 -4.99 105.19 98.50 1x0h n GLY 4 Ca 0.07 0.76 -0.21 0.00 0.00 0.00 0.00 46.02 46.65 1x0h n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x0h h SER 5 N 0.00 0.87 -2.82 1.61 0.87 -2.04 -3.41 113.55 108.63 1x0h h SER 5 Ca 0.00 -0.77 -0.67 0.00 -1.23 0.00 0.00 61.79 59.12 1x0h h SER 5 Cb 0.00 -0.27 -0.17 0.00 -0.44 0.00 0.00 62.40 61.52 1x0h h SER 5 CO 0.00 1.54 0.30 -0.55 -0.53 0.00 0.00 176.83 177.59 1x0h s SER 6 N -7.30 6.18 0.00 6.23 0.15 -1.26 -5.04 113.70 112.67 1x0h s SER 6 Ca -0.10 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1x0h s SER 6 Cb 0.06 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1x0h s SER 6 CO 0.92 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1x0h n GLY 7 N 5.29 -2.77 3.00 9.45 0.00 -1.26 -4.92 105.19 113.98 1x0h n GLY 7 Ca -0.07 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1x0h n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x0h s ILE 8 N 0.00 0.81 0.56 -0.61 -4.36 -1.26 -5.00 121.20 111.34 1x0h s ILE 8 Ca 0.00 -0.37 0.06 0.00 -0.26 0.00 0.00 60.65 60.08 1x0h s ILE 8 Cb 0.00 -0.73 0.06 0.00 1.25 0.00 0.00 42.46 43.04 1x0h s ILE 8 CO 0.00 0.26 0.47 -1.54 0.24 0.00 0.00 174.94 174.37 1x0h n SER 9 N 3.33 2.71 -4.42 4.36 3.41 -1.26 -4.67 113.62 117.09 1x0h n SER 9 Ca -0.19 -2.88 -0.37 0.00 -0.26 0.00 0.00 58.87 55.17 1x0h n SER 9 Cb 0.54 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1x0h n SER 9 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x0h s LEU 10 N 0.00 3.80 -0.46 1.04 1.43 -0.86 -4.99 118.68 118.64 1x0h s LEU 10 Ca 0.36 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1x0h s LEU 10 Cb -0.03 -1.94 0.10 0.00 0.03 0.00 0.00 46.19 44.35 1x0h s LEU 10 CO 0.23 -0.14 0.35 -0.54 0.23 0.00 0.00 176.35 176.48 1x0h s LYS 11 N 1.59 2.70 -0.04 1.70 -0.14 -1.26 -2.75 119.74 121.54 1x0h s LYS 11 Ca 0.05 -1.57 0.02 0.00 -1.36 0.00 0.00 55.97 53.11 1x0h s LYS 11 Cb -0.16 -3.98 0.01 0.00 -1.68 0.00 0.00 37.83 32.02 1x0h s LYS 11 CO 0.04 -1.10 -0.07 0.71 -0.76 0.00 0.00 175.35 174.17 1x0h s TYR 12 N 1.48 0.92 0.49 3.18 2.02 -1.24 -5.04 117.35 119.17 1x0h s TYR 12 Ca 0.04 -0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1x0h s TYR 12 Cb -0.25 -0.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.56 1x0h s TYR 12 CO 0.02 -0.17 0.78 0.95 -1.57 0.00 0.00 175.55 175.57 1x0h s THR 13 N 0.59 4.51 0.48 -0.71 -4.23 -1.26 -1.47 115.64 113.55 1x0h s THR 13 Ca -0.09 0.02 0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1x0h s THR 13 Cb -0.12 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.27 1x0h s THR 13 CO 0.01 -0.67 2.12 0.00 -0.54 0.00 0.00 174.62 175.53 1x0h h ALA 14 N 0.18 1.90 -0.48 3.99 0.00 -1.18 -1.51 119.26 122.17 1x0h h ALA 14 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1x0h h ALA 14 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x0h h ALA 14 CO 0.61 0.09 0.24 0.00 0.00 0.00 0.00 179.25 180.19 1x0h h ALA 15 N 1.91 1.54 -0.02 0.00 0.00 -1.78 0.13 119.26 121.03 1x0h h ALA 15 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1x0h h ALA 15 Cb -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1x0h h ALA 15 CO -0.01 0.38 -0.46 0.00 0.00 0.00 0.00 179.25 179.16 1x0h h ARG 16 N 0.66 0.35 -0.68 0.00 2.47 -1.61 -2.84 114.38 112.73 1x0h h ARG 16 Ca 0.17 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1x0h h ARG 16 Cb 0.05 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1x0h h ARG 16 CO -0.03 1.02 0.30 -0.07 0.56 0.00 0.00 179.97 181.75 1x0h h LEU 17 N -0.18 0.89 -0.72 3.04 3.38 -1.22 -1.93 115.31 118.57 1x0h h LEU 17 Ca -0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1x0h h LEU 17 Cb 1.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1x0h h LEU 17 CO 0.09 0.78 0.06 -0.74 0.09 0.00 0.00 178.44 178.72 1x0h h HIS 18 N 0.97 1.12 -0.09 1.13 2.76 -1.03 0.79 115.15 120.79 1x0h h HIS 18 Ca 0.23 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 1x0h h HIS 18 Cb 0.14 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 1x0h h HIS 18 CO 0.01 0.96 -0.36 0.93 -1.30 0.00 0.00 177.93 178.17 1x0h h GLU 19 N 0.97 0.19 0.01 5.26 4.39 -1.20 -2.89 114.58 121.31 1x0h h GLU 19 Ca 0.18 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.58 1x0h h GLU 19 Cb 0.48 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1x0h h GLU 19 CO 0.02 0.54 -1.08 0.87 -1.16 0.00 0.00 179.01 178.20 1x0h h LYS 20 N 0.17 0.03 0.00 2.33 1.57 -1.02 -3.48 116.57 116.17 1x0h h LYS 20 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x0h h LYS 20 Cb 0.72 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1x0h h LYS 20 CO 0.05 0.98 0.00 0.41 -0.57 0.00 0.00 179.45 180.33 1x0h n GLY 21 N 1.38 1.96 0.16 3.86 0.00 0.14 -5.01 105.19 107.68 1x0h n GLY 21 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1x0h n GLY 21 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x0h h VAL 22 N 0.00 0.00 -3.06 1.61 2.07 -1.48 -3.41 116.25 111.98 1x0h h VAL 22 Ca 0.00 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.97 1x0h h VAL 22 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1x0h h VAL 22 CO 0.00 0.00 0.72 -0.22 0.02 0.00 0.00 177.57 178.09 1x0h s LEU 23 N -6.20 4.27 0.00 2.57 2.96 -1.10 -0.50 118.68 120.68 1x0h s LEU 23 Ca -0.06 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 1x0h s LEU 23 Cb 0.01 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1x0h s LEU 23 CO 0.19 -0.60 0.00 0.18 -1.32 0.00 0.00 176.35 174.79 1x0h n LEU 24 N 5.33 0.29 -4.10 -0.68 4.77 -0.71 -4.15 117.00 117.75 1x0h n LEU 24 Ca 0.11 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.17 1x0h n LEU 24 Cb 0.46 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1x0h n LEU 24 CO 0.55 -0.41 0.15 -1.61 -1.33 0.00 0.00 177.39 174.74 1x0h s GLU 25 N -0.83 1.99 -0.12 3.23 2.02 -1.21 -5.03 118.70 118.75 1x0h s GLU 25 Ca 0.00 -1.83 -0.05 0.00 0.02 0.00 0.00 54.97 53.11 1x0h s GLU 25 Cb 0.00 0.45 0.06 0.00 0.10 0.00 0.00 34.13 34.74 1x0h s GLU 25 CO 0.00 -0.83 0.25 0.42 0.02 0.00 0.00 175.26 175.12 1x0h s ILE 26 N -2.88 -0.39 -1.33 -1.63 1.01 -1.26 -0.40 121.20 114.32 1x0h s ILE 26 Ca 0.31 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.14 1x0h s ILE 26 Cb -0.01 -0.42 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 1x0h s ILE 26 CO 0.22 0.12 2.48 -0.62 0.00 0.00 0.00 174.94 177.14 1x0h n GLU 27 N 5.35 2.89 0.03 2.79 1.02 -0.94 -3.53 120.64 128.24 1x0h n GLU 27 Ca -0.06 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 1x0h n GLU 27 Cb 0.50 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x0h n ASP 28 N 4.73 -0.52 -4.93 1.62 2.03 -1.26 -4.83 116.55 113.39 1x0h n ASP 28 Ca 0.61 0.37 -0.20 0.00 0.52 0.00 0.00 54.79 56.09 1x0h n ASP 28 Cb 0.26 0.77 -0.01 0.00 -0.72 0.00 0.00 41.12 41.42 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x0h s LEU 29 N -5.45 3.34 0.51 -2.67 1.43 -1.23 -5.14 118.68 109.47 1x0h s LEU 29 Ca 0.00 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1x0h s LEU 29 Cb 0.00 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1x0h s LEU 29 CO 0.00 -0.81 0.48 -1.10 0.23 0.00 0.00 176.35 175.15 1x0h s GLN 30 N -4.26 2.35 0.51 1.70 1.11 -1.26 -4.57 119.66 115.24 1x0h s GLN 30 Ca 0.50 -1.80 0.15 0.00 0.01 0.00 0.00 55.36 54.22 1x0h s GLN 30 Cb -0.05 -2.29 1.24 0.00 -1.01 0.00 0.00 33.01 30.89 1x0h s GLN 30 CO 0.30 -0.54 2.14 0.28 0.01 0.00 0.00 175.29 177.48 1x0h h VAL 31 N 0.72 1.00 0.00 1.09 2.07 -2.00 -0.99 116.25 118.15 1x0h h VAL 31 Ca -0.37 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1x0h h VAL 31 Cb 1.29 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1x0h h VAL 31 CO 0.54 0.01 -0.60 -0.55 0.02 0.00 0.00 177.57 176.98 1x0h h ASN 32 N 0.05 0.00 1.29 0.57 -1.07 -2.03 -2.98 115.58 111.41 1x0h h ASN 32 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.33 1x0h h ASN 32 Cb 0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.25 1x0h h ASN 32 CO -0.00 0.60 -0.27 1.56 0.07 0.00 0.00 177.43 179.39 1x0h h GLN 33 N 0.00 0.00 -1.12 4.14 4.20 -1.57 -3.23 115.11 117.54 1x0h h GLN 33 Ca -0.01 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.03 1x0h h GLN 33 Cb 1.11 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1x0h h GLN 33 CO 0.08 0.27 0.87 0.74 -0.67 0.00 0.00 178.83 180.12 1x0h h PHE 34 N 0.00 0.00 -0.04 2.96 -1.00 -1.32 0.99 116.94 118.53 1x0h h PHE 34 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1x0h h PHE 34 Cb 0.99 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.55 1x0h h PHE 34 CO 0.00 0.00 0.02 -0.22 -1.61 0.00 0.00 178.31 176.50 1x0h h LYS 35 N 0.00 0.04 -0.23 1.51 3.11 -1.76 -2.74 116.57 116.50 1x0h h LYS 35 Ca 0.53 -0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 58.22 1x0h h LYS 35 Cb 2.27 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.48 1x0h h LYS 35 CO -0.01 0.02 -0.46 -2.95 -2.81 0.00 0.00 179.45 173.25 1x0h h ASN 36 N 0.04 0.64 -3.66 4.20 7.08 -1.07 -3.45 115.58 119.36 1x0h h ASN 36 Ca 0.02 -0.31 -0.54 0.00 -3.08 0.00 0.00 56.30 52.39 1x0h h ASN 36 Cb 0.01 -0.18 0.10 0.00 -2.08 0.00 0.00 38.32 36.16 1x0h h ASN 36 CO -0.01 1.01 0.84 -0.69 -2.08 0.00 0.00 177.43 176.49 1x0h s VAL 37 N -4.17 2.00 -0.05 6.14 1.01 -0.88 -4.98 120.40 119.48 1x0h s VAL 37 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1x0h s VAL 37 Cb 0.12 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1x0h s VAL 37 CO 0.84 0.00 0.13 -0.51 0.00 0.00 0.00 175.10 175.56 1x0h s ILE 38 N -0.61 0.00 -0.26 2.22 2.07 -1.26 -2.37 121.20 120.99 1x0h s ILE 38 Ca 0.58 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.84 1x0h s ILE 38 Cb -0.48 -0.19 0.06 0.00 0.13 0.00 0.00 42.46 41.99 1x0h s ILE 38 CO 0.57 -0.00 -0.10 -0.36 -1.91 0.00 0.00 174.94 173.14 1x0h s PHE 39 N 0.07 3.17 -0.21 3.50 0.08 -0.54 -2.77 117.98 121.28 1x0h s PHE 39 Ca -0.00 -2.28 -0.19 0.00 0.12 0.00 0.00 56.93 54.59 1x0h s PHE 39 Cb -0.01 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1x0h s PHE 39 CO 0.00 -0.87 0.54 -2.00 -0.10 0.00 0.00 175.22 172.79 1x0h s GLU 40 N 1.13 4.17 -0.22 0.44 2.12 0.07 -3.67 118.70 122.75 1x0h s GLU 40 Ca -0.08 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1x0h s GLU 40 Cb -0.20 -3.58 0.04 0.00 0.26 0.00 0.00 34.13 30.66 1x0h s GLU 40 CO -0.05 -0.20 -0.14 0.42 -0.54 0.00 0.00 175.26 174.75 1x0h s ILE 41 N 1.79 2.05 -0.37 -3.70 1.01 -1.11 -0.15 121.20 120.72 1x0h s ILE 41 Ca 0.24 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 1x0h s ILE 41 Cb -0.15 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1x0h s ILE 41 CO 0.10 0.18 0.46 -0.44 0.00 0.00 0.00 174.94 175.24 1x0h s SER 42 N 1.21 6.26 1.15 3.58 0.01 0.11 -2.03 113.70 123.98 1x0h s SER 42 Ca -0.03 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 56.85 1x0h s SER 42 Cb -0.17 -2.24 0.21 0.00 0.21 0.00 0.00 66.02 64.02 1x0h s SER 42 CO -0.08 -0.48 0.56 -2.65 0.41 0.00 0.00 173.24 171.00 1x0h n PRO 43 N 5.65 -2.08 -4.11 12.44 -0.02 -1.26 -2.89 135.00 142.73 1x0h n PRO 43 Ca -0.06 -0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 60.72 1x0h n PRO 43 Cb 0.49 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.91 1x0h n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1x0h s THR 44 N -2.33 0.54 0.35 3.45 -4.23 -1.26 -4.81 115.64 107.35 1x0h s THR 44 Ca 0.63 -1.52 0.09 0.00 -1.18 0.00 0.00 61.69 59.71 1x0h s THR 44 Cb -0.19 -1.15 0.10 0.00 1.34 0.00 0.00 72.50 72.60 1x0h s THR 44 CO 0.66 -0.67 1.82 -0.08 -0.54 0.00 0.00 174.62 175.80 1x0h h GLU 45 N 3.69 0.21 -6.57 3.99 4.57 -1.97 -3.43 114.58 115.08 1x0h h GLU 45 Ca -0.35 -0.07 -0.52 0.00 -1.18 0.00 0.00 59.36 57.24 1x0h h GLU 45 Cb 1.18 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 1x0h h GLU 45 CO 0.54 0.47 0.04 -1.21 -1.18 0.00 0.00 179.01 177.67 1x0h s GLU 46 N -4.43 4.05 0.13 1.92 8.01 -1.26 -5.07 118.70 122.05 1x0h s GLU 46 Ca -0.05 0.65 -0.13 0.00 0.01 0.00 0.00 54.97 55.45 1x0h s GLU 46 Cb 0.14 -2.69 -0.07 0.00 -4.31 0.00 0.00 34.13 27.21 1x0h s GLU 46 CO 0.75 0.31 0.51 0.54 0.01 0.00 0.00 175.26 177.38 1x0h s VAL 47 N -1.72 4.91 0.00 2.63 0.11 -1.26 -4.24 120.40 120.83 1x0h s VAL 47 Ca 0.47 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.28 1x0h s VAL 47 Cb -0.13 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1x0h s VAL 47 CO 0.19 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1x0h n GLY 48 N 0.88 3.10 3.85 6.54 0.00 -1.26 -5.03 105.19 113.27 1x0h n GLY 48 Ca -0.06 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1x0h n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0h s ASP 49 N 0.00 6.48 0.14 1.61 -1.08 -1.26 -2.93 116.67 119.62 1x0h s ASP 49 Ca 0.00 0.57 0.05 0.00 -0.52 0.00 0.00 52.55 52.65 1x0h s ASP 49 Cb 0.00 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 1x0h s ASP 49 CO 0.00 0.36 -0.12 -0.36 0.52 0.00 0.00 175.17 175.56 1x0h s PHE 50 N -0.86 1.36 -0.36 -5.34 0.08 -1.14 -4.58 117.98 107.15 1x0h s PHE 50 Ca 0.17 -0.64 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 1x0h s PHE 50 Cb -0.13 -0.69 0.07 0.00 -0.57 0.00 0.00 43.02 41.69 1x0h s PHE 50 CO 0.06 0.14 0.12 -2.00 -0.10 0.00 0.00 175.22 173.44 1x0h s GLU 51 N -3.18 2.39 -0.04 0.44 2.12 -1.14 -2.82 118.70 116.46 1x0h s GLU 51 Ca 0.13 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 54.04 1x0h s GLU 51 Cb -0.02 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1x0h s GLU 51 CO 0.02 -0.80 -0.02 0.08 -0.54 0.00 0.00 175.26 174.00 1x0h s VAL 52 N 1.29 4.09 -0.20 3.70 1.01 -0.78 0.04 120.40 129.55 1x0h s VAL 52 Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1x0h s VAL 52 Cb -0.21 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.52 1x0h s VAL 52 CO -0.00 0.50 0.38 -0.75 0.00 0.00 0.00 175.10 175.23 1x0h s LYS 53 N -1.16 0.31 -0.36 2.72 2.47 0.79 -0.56 119.74 123.94 1x0h s LYS 53 Ca 0.16 0.82 -0.21 0.00 -1.56 0.00 0.00 55.97 55.18 1x0h s LYS 53 Cb -0.11 -0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.25 1x0h s LYS 53 CO 0.05 -0.39 0.65 0.00 0.16 0.00 0.00 175.35 175.82 1x0h s ALA 54 N 2.56 3.45 -0.65 3.13 0.00 -1.26 -0.75 121.76 128.25 1x0h s ALA 54 Ca 0.04 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 1x0h s ALA 54 Cb -0.13 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1x0h s ALA 54 CO -0.13 -1.36 1.71 0.15 0.00 0.00 0.00 175.76 176.13 1x0h s LYS 55 N 2.74 2.78 0.01 0.00 1.02 -1.11 -3.87 119.74 121.31 1x0h s LYS 55 Ca 0.25 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1x0h s LYS 55 Cb -0.14 -4.33 0.00 0.00 -0.52 0.00 0.00 37.83 32.83 1x0h s LYS 55 CO 0.15 -2.58 0.00 0.34 -0.92 0.00 0.00 175.35 172.34 1x0h n PHE 56 N 11.86 -0.93 -0.02 3.18 -0.00 -1.26 -4.56 117.46 125.73 1x0h n PHE 56 Ca 0.16 0.05 -0.03 0.00 -0.00 0.00 0.00 57.45 57.63 1x0h n PHE 56 Cb 0.51 0.28 -0.02 0.00 -0.00 0.00 0.00 39.48 40.26 1x0h n PHE 56 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 1x0h n MET 57 N -1.99 0.09 -1.90 -4.13 1.56 -1.26 -4.78 117.12 104.72 1x0h n MET 57 Ca 0.00 0.02 -0.40 0.00 -0.27 0.00 0.00 57.70 57.06 1x0h n MET 57 Cb 0.00 -1.01 -0.01 0.00 2.15 0.00 0.00 33.22 34.35 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1x0h n GLY 58 N 3.23 5.08 2.15 -5.12 0.00 -1.25 -4.63 105.19 104.65 1x0h n GLY 58 Ca -0.07 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 1x0h n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x0h n VAL 59 N 2.00 3.11 -1.70 1.61 0.24 -1.26 -4.53 118.33 117.79 1x0h n VAL 59 Ca 0.65 -1.92 -0.01 0.00 -2.04 0.00 0.00 64.34 61.01 1x0h n VAL 59 Cb 0.24 -0.63 0.01 0.00 -1.47 0.00 0.00 33.84 31.99 1x0h n VAL 59 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1x0h n GLN 60 N -0.96 0.31 0.05 7.34 7.27 -1.26 -5.01 117.38 125.11 1x0h n GLN 60 Ca 0.55 -0.09 -0.20 0.00 0.07 0.00 0.00 57.00 57.34 1x0h n GLN 60 Cb 1.42 -0.04 -0.10 0.00 2.41 0.00 0.00 30.24 33.93 1x0h n GLN 60 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 1x0h h MET 61 N 0.00 0.68 -6.35 3.69 -1.53 -2.02 -3.44 114.93 105.96 1x0h h MET 61 Ca -0.01 -0.75 -0.54 0.00 -3.44 0.00 0.00 59.70 54.96 1x0h h MET 61 Cb 0.04 0.22 0.01 0.00 -0.55 0.00 0.00 31.60 31.31 1x0h h MET 61 CO 0.01 1.32 1.05 -1.21 0.14 0.00 0.00 176.91 178.22 1x0h s GLU 62 N -3.29 4.19 0.08 0.39 2.02 -1.26 -4.99 118.70 115.83 1x0h s GLU 62 Ca -0.10 2.26 -0.08 0.00 0.02 0.00 0.00 54.97 57.08 1x0h s GLU 62 Cb 0.07 -3.82 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1x0h s GLU 62 CO 0.92 -0.79 0.36 0.95 0.02 0.00 0.00 175.26 176.72 1x0h s THR 63 N 3.42 5.17 -0.45 3.63 -4.23 -1.26 -4.98 115.64 116.94 1x0h s THR 63 Ca 0.74 0.26 -0.27 0.00 -1.18 0.00 0.00 61.69 61.24 1x0h s THR 63 Cb -0.36 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 1x0h s THR 63 CO 0.31 0.24 1.94 0.12 -0.54 0.00 0.00 174.62 176.70 1x0h s PHE 64 N -1.44 1.60 -0.29 3.99 5.36 0.27 -4.89 117.98 122.59 1x0h s PHE 64 Ca 0.34 0.82 -0.29 0.00 -0.96 0.00 0.00 56.93 56.83 1x0h s PHE 64 Cb -0.13 -4.02 0.01 0.00 -0.34 0.00 0.00 43.02 38.54 1x0h s PHE 64 CO 0.19 -2.73 1.15 1.41 -1.46 0.00 0.00 175.22 173.78 1x0h s MET 65 N 6.59 4.06 -0.39 10.12 -2.45 -1.26 -1.86 119.30 134.11 1x0h s MET 65 Ca 0.79 1.21 -0.03 0.00 -1.25 0.00 0.00 55.69 56.42 1x0h s MET 65 Cb -0.19 -3.77 0.10 0.00 1.25 0.00 0.00 34.83 32.22 1x0h s MET 65 CO 0.28 -0.91 0.17 -1.17 1.05 0.00 0.00 175.02 174.44 1x0h s LEU 66 N 3.79 5.03 1.02 4.11 2.96 -1.13 -5.03 118.68 129.44 1x0h s LEU 66 Ca 0.49 -1.89 -0.14 0.00 -0.22 0.00 0.00 54.13 52.37 1x0h s LEU 66 Cb -0.15 -1.81 0.20 0.00 0.50 0.00 0.00 46.19 44.93 1x0h s LEU 66 CO 0.17 -0.49 1.12 -1.00 -1.32 0.00 0.00 176.35 174.82 1x0h s HIS 67 N 1.17 1.82 -0.21 5.38 3.76 -1.26 -2.87 115.29 123.08 1x0h s HIS 67 Ca 0.06 0.80 0.16 0.00 -0.15 0.00 0.00 55.06 55.93 1x0h s HIS 67 Cb -0.22 -3.39 -0.24 0.00 1.11 0.00 0.00 32.58 29.84 1x0h s HIS 67 CO -0.03 -2.99 0.03 0.98 -0.85 0.00 0.00 174.74 171.88 1x0h n TYR 68 N -4.19 0.00 0.15 1.40 9.36 -1.15 -4.08 117.16 118.66 1x0h n TYR 68 Ca 0.08 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.33 1x0h n TYR 68 Cb 0.58 -1.00 0.44 0.00 -0.63 0.00 0.00 39.34 38.73 1x0h n TYR 68 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1x0h h GLN 69 N 0.00 0.16 -0.07 2.98 7.50 -1.95 -2.35 115.11 121.39 1x0h h GLN 69 Ca -0.55 -0.03 -0.24 0.00 0.50 0.00 0.00 58.65 58.33 1x0h h GLN 69 Cb 2.20 -0.02 0.02 0.00 0.05 0.00 0.00 27.48 29.72 1x0h h GLN 69 CO 0.01 0.29 -0.88 -0.44 -1.50 0.00 0.00 178.83 176.31 1x0h h ASP 70 N 0.16 0.89 0.18 1.46 5.19 -1.99 -2.54 116.42 119.77 1x0h h ASP 70 Ca 0.03 -0.69 -0.01 0.00 -0.62 0.00 0.00 57.03 55.74 1x0h h ASP 70 Cb 0.32 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1x0h h ASP 70 CO 0.02 1.45 -0.08 -0.07 -3.12 0.00 0.00 179.24 177.44 1x0h h LEU 71 N 0.41 -0.20 -1.55 1.55 3.38 -1.63 -2.47 115.31 114.81 1x0h h LEU 71 Ca -0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1x0h h LEU 71 Cb 1.53 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1x0h h LEU 71 CO 0.18 -0.13 -0.13 -0.07 0.09 0.00 0.00 178.44 178.38 1x0h h LEU 72 N -0.24 0.12 -1.51 1.67 3.38 -1.53 -2.18 115.31 115.02 1x0h h LEU 72 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1x0h h LEU 72 Cb 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1x0h h LEU 72 CO 0.04 0.27 0.12 -0.61 0.09 0.00 0.00 178.44 178.35 1x0h h GLN 73 N 0.13 0.44 -0.33 1.13 -0.00 -1.00 -1.58 115.11 113.91 1x0h h GLN 73 Ca 0.03 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 1x0h h GLN 73 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1x0h h GLN 73 CO 0.02 0.38 0.06 -0.07 0.00 0.00 0.00 178.83 179.22 1x0h h LEU 74 N 0.45 0.51 -1.09 -2.39 3.38 -1.06 -0.64 115.31 114.47 1x0h h LEU 74 Ca 0.11 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1x0h h LEU 74 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1x0h h LEU 74 CO -0.01 0.62 -0.38 1.56 0.09 0.00 0.00 178.44 180.32 1x0h h GLN 75 N 0.37 0.14 -0.09 1.13 4.20 -1.48 0.17 115.11 119.54 1x0h h GLN 75 Ca 0.10 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 1x0h h GLN 75 Cb 0.32 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1x0h h GLN 75 CO 0.00 0.50 -0.71 -0.92 -0.67 0.00 0.00 178.83 177.04 1x0h h TYR 76 N 0.12 0.59 0.00 2.96 5.03 -1.05 -3.36 116.97 121.24 1x0h h TYR 76 Ca 0.01 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 61.07 1x0h h TYR 76 Cb 0.73 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1x0h h TYR 76 CO 0.01 1.00 -0.06 0.93 -1.32 0.00 0.00 178.16 178.72 1x0h h GLU 77 N 0.30 0.00 0.00 1.82 5.08 -0.89 -3.49 114.58 117.40 1x0h h GLU 77 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1x0h h GLU 77 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1x0h h GLU 77 CO 0.12 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1x0h n GLY 78 N 1.82 0.00 2.89 -3.84 0.00 0.36 -5.10 105.19 101.33 1x0h n GLY 78 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N 0.00 1.94 0.19 1.61 1.01 0.20 -4.95 120.40 120.40 1x0h s VAL 79 Ca 0.00 -2.50 0.05 0.00 0.00 0.00 0.00 61.98 59.53 1x0h s VAL 79 Cb 0.00 -2.40 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 1x0h s VAL 79 CO 0.00 -0.73 1.43 0.00 0.00 0.00 0.00 175.10 175.80 1x0h h ALA 80 N 7.20 0.62 -3.15 5.51 0.00 -1.96 -3.39 119.26 124.09 1x0h h ALA 80 Ca -0.06 -0.70 -0.64 0.00 0.00 0.00 0.00 54.91 53.51 1x0h h ALA 80 Cb 0.96 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1x0h h ALA 80 CO 0.55 0.91 -0.55 0.08 0.00 0.00 0.00 179.25 180.25 1x0h s VAL 81 N -3.27 4.90 -0.16 0.00 1.01 -1.26 -0.61 120.40 121.00 1x0h s VAL 81 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1x0h s VAL 81 Cb 0.11 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1x0h s VAL 81 CO 0.81 0.52 -0.03 -0.32 0.00 0.00 0.00 175.10 176.08 1x0h s MET 82 N -0.18 3.68 -0.65 2.72 1.75 0.11 -4.93 119.30 121.80 1x0h s MET 82 Ca 0.08 -0.51 -0.22 0.00 -1.25 0.00 0.00 55.69 53.79 1x0h s MET 82 Cb -0.12 -2.94 0.07 0.00 2.84 0.00 0.00 34.83 34.68 1x0h s MET 82 CO 0.01 0.23 0.95 0.21 -0.65 0.00 0.00 175.02 175.77 1x0h s LYS 83 N 0.41 3.11 -0.16 4.11 2.47 -1.26 -2.23 119.74 126.18 1x0h s LYS 83 Ca -0.03 -0.86 -0.08 0.00 -1.56 0.00 0.00 55.97 53.44 1x0h s LYS 83 Cb -0.14 -4.23 -0.04 0.00 -1.46 0.00 0.00 37.83 31.96 1x0h s LYS 83 CO 0.03 -1.80 0.11 -0.51 0.16 0.00 0.00 175.35 173.34 1x0h s LEU 84 N 3.98 4.16 -2.02 5.43 1.43 0.38 -4.28 118.68 127.75 1x0h s LEU 84 Ca 0.21 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1x0h s LEU 84 Cb -0.17 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1x0h s LEU 84 CO 0.10 0.27 0.00 0.49 0.23 0.00 0.00 176.35 177.44 1x0h n PHE 85 N 2.90 -0.35 -2.15 0.29 3.72 -1.26 -1.46 117.46 119.15 1x0h n PHE 85 Ca -0.18 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.07 1x0h n PHE 85 Cb 0.53 -3.56 -0.02 0.00 -0.94 0.00 0.00 39.48 35.48 1x0h n PHE 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1x0h n ASP 86 N -1.52 -4.51 0.00 4.37 2.03 -1.26 -4.61 116.55 111.05 1x0h n ASP 86 Ca -0.21 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1x0h n ASP 86 Cb 0.67 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.19 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x0h n ARG 87 N -2.64 0.00 -1.72 -0.67 1.74 -0.63 -4.94 116.66 107.79 1x0h n ARG 87 Ca -0.18 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.50 1x0h n ARG 87 Cb 0.60 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.06 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h n ALA 88 N -1.99 1.53 -3.40 7.54 0.00 -0.54 -2.22 120.51 121.44 1x0h n ALA 88 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 1x0h n ALA 88 Cb 0.00 -2.31 -0.17 0.00 0.00 0.00 0.00 19.45 16.97 1x0h n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x0h s LYS 89 N -2.36 2.08 0.13 0.00 1.02 0.47 -0.47 119.74 120.60 1x0h s LYS 89 Ca 0.62 -0.54 0.08 0.00 0.02 0.00 0.00 55.97 56.15 1x0h s LYS 89 Cb -0.48 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1x0h s LYS 89 CO 0.57 0.07 -0.20 0.08 -0.92 0.00 0.00 175.35 174.95 1x0h s VAL 90 N 0.58 1.74 -0.16 3.17 1.01 -0.95 -1.73 120.40 124.07 1x0h s VAL 90 Ca -0.16 -1.70 -0.27 0.00 0.00 0.00 0.00 61.98 59.86 1x0h s VAL 90 Cb -0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1x0h s VAL 90 CO 0.05 -0.17 0.91 0.21 0.00 0.00 0.00 175.10 176.10 1x0h s ASN 91 N -2.23 7.06 0.30 3.32 2.47 0.35 -0.71 114.94 125.50 1x0h s ASN 91 Ca 0.10 1.30 0.10 0.00 0.42 0.00 0.00 52.86 54.79 1x0h s ASN 91 Cb -0.08 -2.49 0.47 0.00 -1.45 0.00 0.00 41.25 37.69 1x0h s ASN 91 CO 0.05 -0.45 1.68 0.58 -3.72 0.00 0.00 177.10 175.24 1x0h h VAL 92 N 5.20 1.38 0.00 -5.21 2.07 -1.15 0.86 116.25 119.40 1x0h h VAL 92 Ca -0.28 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.33 1x0h h VAL 92 Cb 1.13 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1x0h h VAL 92 CO 0.86 0.52 -0.49 0.78 0.02 0.00 0.00 177.57 179.26 1x0h h ASN 93 N 0.03 0.00 0.00 0.57 4.21 -1.91 -3.18 115.58 115.29 1x0h h ASN 93 Ca -0.00 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.24 1x0h h ASN 93 Cb 0.94 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.09 1x0h h ASN 93 CO 0.07 0.49 -2.18 0.18 -1.29 0.00 0.00 177.43 174.70 1x0h n LEU 94 N -3.69 0.00 -0.26 1.61 4.77 -1.10 -4.04 117.00 114.29 1x0h n LEU 94 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1x0h n LEU 94 Cb 0.55 0.36 0.11 0.00 -2.33 0.00 0.00 43.42 42.11 1x0h n LEU 94 CO 0.39 0.36 1.13 0.25 -1.33 0.00 0.00 177.39 178.20 1x0h h LEU 95 N 0.00 0.67 -0.35 2.23 5.85 0.71 -1.87 115.31 122.56 1x0h h LEU 95 Ca -0.40 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.16 1x0h h LEU 95 Cb 1.88 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 1x0h h LEU 95 CO 0.02 0.44 -0.83 0.40 -0.34 0.00 0.00 178.44 178.13 1x0h h ILE 96 N 0.81 1.55 -0.74 4.05 2.04 -1.77 -3.18 117.51 120.27 1x0h h ILE 96 Ca 0.32 -2.71 -0.00 0.00 1.00 0.00 0.00 64.86 63.47 1x0h h ILE 96 Cb 0.15 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 1x0h h ILE 96 CO -0.17 0.78 0.45 0.15 0.00 0.00 0.00 178.15 179.37 1x0h h PHE 97 N 0.04 0.97 -0.45 1.37 3.57 -1.51 0.70 116.94 121.63 1x0h h PHE 97 Ca -0.02 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1x0h h PHE 97 Cb 1.46 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1x0h h PHE 97 CO 0.01 0.65 -0.12 1.25 -2.23 0.00 0.00 178.31 177.87 1x0h h LEU 98 N 1.01 0.83 0.00 0.59 5.85 -1.41 -2.90 115.31 119.29 1x0h h LEU 98 Ca 0.27 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1x0h h LEU 98 Cb -0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1x0h h LEU 98 CO -0.05 0.97 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.39 1x0h h LEU 99 N 0.75 0.00 -2.11 2.25 3.38 -1.43 -1.73 115.31 116.42 1x0h h LEU 99 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1x0h h LEU 99 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1x0h h LEU 99 CO 0.04 0.48 0.28 -1.13 0.09 0.00 0.00 178.44 178.20 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 0.62 0.19 115.58 115.23 1x0h h ASN 100 Ca -0.02 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.08 1x0h h ASN 100 Cb 1.38 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.96 1x0h h ASN 100 CO 0.06 0.00 -1.28 0.29 -0.37 0.00 0.00 177.43 176.13 1x0h n LYS 101 N -3.94 1.86 0.27 6.67 5.02 -1.23 -4.15 118.16 122.66 1x0h n LYS 101 Ca 0.04 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1x0h n LYS 101 Cb 0.43 -1.10 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 1x0h n LYS 101 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1x0h h LYS 102 N 0.00 -0.66 0.02 1.97 1.79 -1.20 -3.39 116.57 115.09 1x0h h LYS 102 Ca -0.11 0.05 -0.31 0.00 -2.18 0.00 0.00 60.65 58.10 1x0h h LYS 102 Cb 1.22 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.98 1x0h h LYS 102 CO -0.01 -0.44 -1.69 1.19 -1.08 0.00 0.00 179.45 177.42 1x0h n PHE 103 N -3.99 0.79 -1.66 -1.35 3.01 -0.83 -4.89 117.46 108.54 1x0h n PHE 103 Ca -0.09 0.30 -0.45 0.00 1.01 0.00 0.00 57.45 58.23 1x0h n PHE 103 Cb 0.27 -1.08 -0.04 0.00 -0.01 0.00 0.00 39.48 38.62 1x0h n PHE 103 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1x0h n TYR 104 N -4.22 2.39 0.00 1.38 4.01 0.61 -4.58 117.16 116.75 1x0h n TYR 104 Ca -0.38 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1x0h n TYR 104 Cb 0.79 -2.74 0.00 0.00 -0.31 0.00 0.00 39.34 37.07 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x0h n GLY 105 N 4.64 0.67 0.09 2.72 0.00 -1.26 -4.14 105.19 107.90 1x0h n GLY 105 Ca 0.22 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1x0h n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x0h h LYS 106 N 0.00 0.09 -6.08 1.61 1.57 -2.00 -3.43 116.57 108.33 1x0h h LYS 106 Ca 0.00 -0.13 -0.55 0.00 -1.87 0.00 0.00 60.65 58.10 1x0h h LYS 106 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1x0h h LYS 106 CO 0.00 1.01 1.37 -1.54 -0.57 0.00 0.00 179.45 179.71 1x0h s SER 107 N -6.85 5.51 0.00 0.86 1.04 -1.26 -4.96 113.70 108.04 1x0h s SER 107 Ca -0.01 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1x0h s SER 107 Cb 0.10 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1x0h s SER 107 CO 0.83 -2.05 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1x0h n GLY 108 N 5.60 1.25 3.55 7.32 0.00 -1.26 -4.90 105.19 116.75 1x0h n GLY 108 Ca 0.25 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1x0h n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x0h s PRO 109 N 1.59 2.46 0.39 1.61 0.04 -1.26 -4.94 135.00 134.89 1x0h s PRO 109 Ca 0.00 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.59 1x0h s PRO 109 Cb 0.00 -4.59 0.02 0.00 0.04 0.00 0.00 34.50 29.97 1x0h s PRO 109 CO 0.00 -3.06 0.18 -1.13 0.04 0.00 0.00 177.00 173.03 1x0h n SER 110 N 13.87 2.56 -3.98 6.66 3.41 -1.26 -5.11 113.62 129.77 1x0h n SER 110 Ca 0.29 -2.46 -0.31 0.00 -0.26 0.00 0.00 58.87 56.13 1x0h n SER 110 Cb 0.51 0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 1x0h n SER 110 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x0h s SER 111 N -3.21 4.61 0.00 4.04 0.15 -1.26 -5.29 113.70 112.75 1x0h s SER 111 Ca 0.14 -2.25 0.00 0.00 0.70 0.00 0.00 55.95 54.53 1x0h s SER 111 Cb -0.01 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1x0h s SER 111 CO 0.09 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.78