#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 -0.25 -3.80 1.61 3.41 -1.26 -5.14 113.62 108.19 1x0h n SER 2 Ca 0.00 0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1x0h n SER 2 Cb 0.00 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 1x0h n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x0h s SER 3 N -2.91 -0.20 -0.06 4.04 1.04 -1.26 -5.04 113.70 109.31 1x0h s SER 3 Ca 0.00 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.82 1x0h s SER 3 Cb 0.00 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1x0h s SER 3 CO 0.00 -0.11 0.68 0.61 0.98 0.00 0.00 173.24 175.41 1x0h n GLY 4 N 2.80 0.18 2.09 7.32 0.00 -1.26 -5.16 105.19 111.17 1x0h n GLY 4 Ca -0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1x0h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x0h n SER 5 N -0.28 -0.56 -4.32 1.61 7.64 -1.26 -5.17 113.62 111.28 1x0h n SER 5 Ca -0.12 -2.37 -0.29 0.00 1.01 0.00 0.00 58.87 57.11 1x0h n SER 5 Cb 0.55 1.22 -0.15 0.00 -1.01 0.00 0.00 64.21 64.82 1x0h n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x0h s SER 6 N -2.48 2.96 -0.28 6.43 0.15 -1.26 -5.03 113.70 114.19 1x0h s SER 6 Ca 0.24 -0.57 0.11 0.00 0.70 0.00 0.00 55.95 56.44 1x0h s SER 6 Cb 0.01 -0.26 0.59 0.00 -1.71 0.00 0.00 66.02 64.65 1x0h s SER 6 CO 0.17 0.23 1.58 0.61 1.20 0.00 0.00 173.24 177.03 1x0h n GLY 7 N 1.81 4.26 3.16 9.45 0.00 -1.26 -4.82 105.19 117.79 1x0h n GLY 7 Ca -0.17 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.05 -0.95 0.24 -0.61 -4.36 -1.26 -5.16 121.20 106.05 1x0h s ILE 8 Ca 0.48 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 60.90 1x0h s ILE 8 Cb 0.40 -0.62 -0.05 0.00 1.25 0.00 0.00 42.46 43.44 1x0h s ILE 8 CO 0.07 0.00 0.02 -0.94 0.24 0.00 0.00 174.94 174.33 1x0h s SER 9 N 2.50 1.72 -0.05 4.36 1.04 -1.26 -4.60 113.70 117.41 1x0h s SER 9 Ca 0.13 -1.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.09 1x0h s SER 9 Cb -0.07 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1x0h s SER 9 CO -0.19 -0.56 0.65 -0.76 0.98 0.00 0.00 173.24 173.36 1x0h s LEU 10 N -3.31 4.35 -0.27 2.42 1.02 -0.95 -4.98 118.68 116.97 1x0h s LEU 10 Ca 0.30 1.15 0.03 0.00 0.02 0.00 0.00 54.13 55.63 1x0h s LEU 10 Cb 0.06 -3.00 0.06 0.00 0.02 0.00 0.00 46.19 43.34 1x0h s LEU 10 CO 0.09 -0.03 -0.09 -0.54 0.02 0.00 0.00 176.35 175.80 1x0h s LYS 11 N 0.42 2.20 -0.04 1.70 -0.14 -1.26 -2.28 119.74 120.35 1x0h s LYS 11 Ca 0.34 -1.38 0.02 0.00 -1.36 0.00 0.00 55.97 53.59 1x0h s LYS 11 Cb -0.18 -2.93 0.01 0.00 -1.68 0.00 0.00 37.83 33.06 1x0h s LYS 11 CO 0.17 -0.60 -0.09 0.71 -0.76 0.00 0.00 175.35 174.79 1x0h s TYR 12 N 1.10 1.00 0.50 3.18 2.02 -1.10 -5.02 117.35 119.02 1x0h s TYR 12 Ca -0.08 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.31 1x0h s TYR 12 Cb -0.20 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.60 1x0h s TYR 12 CO -0.05 -0.16 0.76 0.95 -1.57 0.00 0.00 175.55 175.48 1x0h s THR 13 N 0.46 4.10 0.28 -0.71 -4.23 -1.26 -0.94 115.64 113.34 1x0h s THR 13 Ca -0.08 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 1x0h s THR 13 Cb -0.11 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.44 1x0h s THR 13 CO 0.01 -0.47 1.93 0.00 -0.54 0.00 0.00 174.62 175.55 1x0h h ALA 14 N 0.20 1.39 -0.12 3.99 0.00 -1.44 -1.23 119.26 122.04 1x0h h ALA 14 Ca -0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1x0h h ALA 14 Cb 1.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1x0h h ALA 14 CO 0.59 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 180.37 1x0h h ALA 15 N 1.45 1.77 0.19 0.00 0.00 -1.80 0.20 119.26 121.06 1x0h h ALA 15 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1x0h h ALA 15 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1x0h h ALA 15 CO -0.10 0.18 -0.09 0.00 0.00 0.00 0.00 179.25 179.24 1x0h h ARG 16 N 0.17 -0.24 -0.49 0.00 2.47 -1.58 -2.80 114.38 111.90 1x0h h ARG 16 Ca 0.04 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1x0h h ARG 16 Cb 0.14 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 1x0h h ARG 16 CO 0.00 0.07 0.30 -0.07 0.56 0.00 0.00 179.97 180.83 1x0h h LEU 17 N -0.99 0.57 -0.36 3.04 3.38 -1.29 -1.98 115.31 117.69 1x0h h LEU 17 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x0h h LEU 17 Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1x0h h LEU 17 CO 0.04 0.44 0.17 -0.74 0.09 0.00 0.00 178.44 178.44 1x0h h HIS 18 N 0.67 0.51 -0.61 1.13 2.76 -0.68 -0.05 115.15 118.88 1x0h h HIS 18 Ca 0.18 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 1x0h h HIS 18 Cb -0.04 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 1x0h h HIS 18 CO 0.00 0.43 0.11 0.93 -1.30 0.00 0.00 177.93 178.10 1x0h h GLU 19 N 0.44 0.98 -0.07 5.26 4.39 -1.16 -2.59 114.58 121.82 1x0h h GLU 19 Ca 0.12 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1x0h h GLU 19 Cb 0.11 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1x0h h GLU 19 CO -0.02 0.90 -0.42 0.87 -1.16 0.00 0.00 179.01 179.18 1x0h h LYS 20 N 0.93 0.16 0.00 2.33 1.57 -1.09 -3.47 116.57 116.99 1x0h h LYS 20 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1x0h h LYS 20 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1x0h h LYS 20 CO 0.01 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 1x0h n GLY 21 N -0.21 2.19 0.16 3.86 0.00 -0.13 -5.01 105.19 106.06 1x0h n GLY 21 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.84 1.61 2.07 -1.56 -3.41 116.25 112.12 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 0.92 -0.22 0.02 0.00 0.00 177.57 178.29 1x0h s LEU 23 N -6.38 4.26 -0.03 2.57 2.96 -1.03 0.33 118.68 121.35 1x0h s LEU 23 Ca -0.06 1.95 -0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1x0h s LEU 23 Cb 0.02 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 1x0h s LEU 23 CO 0.19 -0.78 0.02 -0.07 -1.32 0.00 0.00 176.35 174.40 1x0h h LEU 24 N 9.38 -0.01 -8.13 -0.68 3.38 -1.01 -3.36 115.31 114.88 1x0h h LEU 24 Ca -0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1x0h h LEU 24 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1x0h h LEU 24 CO 0.94 0.16 0.13 -1.61 0.09 0.00 0.00 178.44 178.16 1x0h s GLU 25 N -1.24 2.02 -0.14 1.13 2.02 -1.16 -5.02 118.70 116.31 1x0h s GLU 25 Ca -0.00 -1.41 -0.02 0.00 0.02 0.00 0.00 54.97 53.56 1x0h s GLU 25 Cb 0.00 0.57 0.04 0.00 0.10 0.00 0.00 34.13 34.85 1x0h s GLU 25 CO 0.00 -0.92 0.01 0.42 0.02 0.00 0.00 175.26 174.80 1x0h s ILE 26 N -2.91 0.54 -1.34 -1.63 1.01 -1.26 -1.22 121.20 114.38 1x0h s ILE 26 Ca 0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 1x0h s ILE 26 Cb -0.04 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 1x0h s ILE 26 CO 0.12 0.03 2.45 -0.62 0.00 0.00 0.00 174.94 176.92 1x0h n GLU 27 N 5.07 2.87 0.00 2.79 -0.58 -1.20 -3.40 120.64 126.19 1x0h n GLU 27 Ca -0.09 -2.16 0.00 0.00 -0.42 0.00 0.00 57.16 54.50 1x0h n GLU 27 Cb 0.48 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 28.44 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x0h n ASP 28 N 5.00 -0.06 -4.86 1.62 -0.08 -1.26 -4.87 116.55 112.04 1x0h n ASP 28 Ca 0.61 0.03 -0.25 0.00 -1.51 0.00 0.00 54.79 53.66 1x0h n ASP 28 Cb 0.29 0.23 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1x0h s LEU 29 N -4.41 2.89 0.44 -2.67 1.43 -1.22 -5.15 118.68 109.99 1x0h s LEU 29 Ca 0.00 -1.14 0.08 0.00 -1.03 0.00 0.00 54.13 52.04 1x0h s LEU 29 Cb 0.00 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.87 1x0h s LEU 29 CO 0.00 -0.90 0.60 -1.10 0.23 0.00 0.00 176.35 175.18 1x0h s GLN 30 N -4.16 2.74 0.31 1.70 -0.21 -1.26 -4.68 119.66 114.09 1x0h s GLN 30 Ca 0.37 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.44 1x0h s GLN 30 Cb -0.01 -2.73 0.54 0.00 1.00 0.00 0.00 33.01 31.81 1x0h s GLN 30 CO 0.22 -0.36 1.94 0.28 -2.12 0.00 0.00 175.29 175.24 1x0h h VAL 31 N 0.58 1.10 0.00 1.09 2.07 -2.01 -0.74 116.25 118.34 1x0h h VAL 31 Ca -0.38 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1x0h h VAL 31 Cb 1.28 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1x0h h VAL 31 CO 0.45 0.18 -0.30 -0.55 0.02 0.00 0.00 177.57 177.37 1x0h h ASN 32 N 1.01 0.00 0.86 0.57 -1.07 -2.04 -2.74 115.58 112.16 1x0h h ASN 32 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1x0h h ASN 32 Cb 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 1x0h h ASN 32 CO -0.11 0.30 -0.14 0.00 0.07 0.00 0.00 177.43 177.55 1x0h n GLN 33 N -3.47 0.01 -0.16 4.14 6.02 -0.33 -3.84 117.38 119.75 1x0h n GLN 33 Ca -0.00 -0.00 0.24 0.00 -0.01 0.00 0.00 57.00 57.23 1x0h n GLN 33 Cb 0.47 -1.50 0.65 0.00 1.02 0.00 0.00 30.24 30.88 1x0h n GLN 33 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1x0h h PHE 34 N 0.01 0.17 0.00 1.08 -1.00 -1.12 0.35 116.94 116.42 1x0h h PHE 34 Ca 0.00 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1x0h h PHE 34 Cb 0.50 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 1x0h h PHE 34 CO 0.00 0.04 -0.11 -0.22 -1.61 0.00 0.00 178.31 176.41 1x0h h LYS 35 N 0.12 0.00 -0.04 1.51 1.63 -1.80 -2.42 116.57 115.58 1x0h h LYS 35 Ca 0.41 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.96 1x0h h LYS 35 Cb 1.41 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.06 1x0h h LYS 35 CO -0.06 0.11 -0.94 -0.91 -3.45 0.00 0.00 179.45 174.20 1x0h h ASN 36 N 0.00 0.82 -3.74 4.20 2.35 -0.57 -3.45 115.58 115.19 1x0h h ASN 36 Ca -0.00 -0.62 -0.52 0.00 -0.55 0.00 0.00 56.30 54.61 1x0h h ASN 36 Cb 0.22 -0.25 0.05 0.00 0.05 0.00 0.00 38.32 38.39 1x0h h ASN 36 CO 0.01 1.42 0.63 -0.69 -1.65 0.00 0.00 177.43 177.16 1x0h s VAL 37 N -3.43 2.88 -0.07 2.81 1.01 -0.92 -5.01 120.40 117.67 1x0h s VAL 37 Ca -0.09 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 1x0h s VAL 37 Cb 0.08 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1x0h s VAL 37 CO 0.90 0.18 0.13 -0.51 0.00 0.00 0.00 175.10 175.80 1x0h s ILE 38 N -0.82 -0.20 -0.22 2.22 2.07 -1.26 -2.57 121.20 120.42 1x0h s ILE 38 Ca 0.51 0.37 -0.14 0.00 -1.41 0.00 0.00 60.65 59.97 1x0h s ILE 38 Cb -0.39 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1x0h s ILE 38 CO 0.48 0.15 0.32 -0.36 -1.91 0.00 0.00 174.94 173.63 1x0h s PHE 39 N 2.16 3.34 -0.37 3.50 0.08 -0.11 -4.61 117.98 121.97 1x0h s PHE 39 Ca 0.03 0.47 -0.08 0.00 0.12 0.00 0.00 56.93 57.47 1x0h s PHE 39 Cb -0.12 -2.46 0.05 0.00 -0.57 0.00 0.00 43.02 39.92 1x0h s PHE 39 CO -0.05 -0.01 0.17 -2.00 -0.10 0.00 0.00 175.22 173.23 1x0h s GLU 40 N 1.33 2.66 -0.33 0.44 2.12 0.57 -2.71 118.70 122.78 1x0h s GLU 40 Ca 0.15 -1.23 -0.11 0.00 0.36 0.00 0.00 54.97 54.14 1x0h s GLU 40 Cb -0.14 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 1x0h s GLU 40 CO 0.07 -0.75 0.19 0.42 -0.54 0.00 0.00 175.26 174.65 1x0h s ILE 41 N 1.45 4.88 -0.34 -3.70 1.01 -0.96 -1.05 121.20 122.49 1x0h s ILE 41 Ca 0.01 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 1x0h s ILE 41 Cb -0.20 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1x0h s ILE 41 CO 0.04 0.02 0.40 -0.44 0.00 0.00 0.00 174.94 174.95 1x0h s SER 42 N 1.66 6.22 0.52 3.58 0.01 0.09 -2.24 113.70 123.53 1x0h s SER 42 Ca 0.05 -0.13 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1x0h s SER 42 Cb -0.17 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1x0h s SER 42 CO 0.08 -0.35 1.15 -2.16 0.41 0.00 0.00 173.24 172.36 1x0h s PRO 43 N 2.10 3.48 0.39 12.44 0.04 -1.26 -2.21 135.00 149.99 1x0h s PRO 43 Ca 0.14 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1x0h s PRO 43 Cb -0.16 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1x0h s PRO 43 CO 0.12 -0.76 0.45 0.95 0.04 0.00 0.00 177.00 177.80 1x0h s THR 44 N -1.68 3.11 0.26 1.26 -4.23 -1.26 -4.94 115.64 108.15 1x0h s THR 44 Ca 0.70 -1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1x0h s THR 44 Cb -0.26 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1x0h s THR 44 CO 0.30 -0.05 1.76 -0.08 -0.54 0.00 0.00 174.62 176.01 1x0h h GLU 45 N 0.90 0.82 -7.48 3.99 4.81 -1.97 -3.44 114.58 112.20 1x0h h GLU 45 Ca -0.42 -0.22 -0.46 0.00 -0.13 0.00 0.00 59.36 58.14 1x0h h GLU 45 Cb 1.27 -0.10 0.11 0.00 0.63 0.00 0.00 28.75 30.66 1x0h h GLU 45 CO 0.52 0.81 0.30 -1.21 -0.73 0.00 0.00 179.01 178.71 1x0h s GLU 46 N -5.01 1.68 -0.22 1.92 2.02 -1.26 -5.07 118.70 112.76 1x0h s GLU 46 Ca -0.10 -0.32 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1x0h s GLU 46 Cb 0.15 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 1x0h s GLU 46 CO 0.81 -1.65 -0.01 0.54 0.02 0.00 0.00 175.26 174.97 1x0h s VAL 47 N -3.47 3.71 0.00 2.63 0.11 -1.26 -4.52 120.40 117.60 1x0h s VAL 47 Ca 0.65 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1x0h s VAL 47 Cb -0.08 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 1x0h s VAL 47 CO 0.48 0.41 0.00 0.61 -3.33 0.00 0.00 175.10 173.27 1x0h n GLY 48 N 4.63 0.88 3.83 6.54 0.00 -1.26 -5.10 105.19 114.70 1x0h n GLY 48 Ca -0.17 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1x0h n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x0h s ASP 49 N -0.66 6.61 -0.01 1.61 1.11 -1.26 -4.07 116.67 119.99 1x0h s ASP 49 Ca 0.00 0.72 0.03 0.00 0.18 0.00 0.00 52.55 53.48 1x0h s ASP 49 Cb 0.00 -2.18 -0.00 0.00 1.07 0.00 0.00 42.92 41.81 1x0h s ASP 49 CO 0.00 0.31 -0.09 -0.36 1.18 0.00 0.00 175.17 176.22 1x0h s PHE 50 N -0.78 0.81 -0.40 4.23 0.08 -1.16 -4.12 117.98 116.63 1x0h s PHE 50 Ca 0.20 -0.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 1x0h s PHE 50 Cb -0.14 -0.54 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 1x0h s PHE 50 CO 0.09 -0.04 0.30 -2.00 -0.10 0.00 0.00 175.22 173.47 1x0h s GLU 51 N -0.08 3.01 -0.14 0.44 2.12 -0.94 -1.47 118.70 121.65 1x0h s GLU 51 Ca 0.02 -0.99 -0.18 0.00 0.36 0.00 0.00 54.97 54.18 1x0h s GLU 51 Cb -0.05 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1x0h s GLU 51 CO -0.00 -0.73 0.45 0.08 -0.54 0.00 0.00 175.26 174.52 1x0h s VAL 52 N 1.69 5.20 -0.24 3.70 1.01 -0.08 -0.73 120.40 130.95 1x0h s VAL 52 Ca 0.05 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 1x0h s VAL 52 Cb -0.19 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.49 1x0h s VAL 52 CO 0.10 0.32 0.15 -0.75 0.00 0.00 0.00 175.10 174.92 1x0h s LYS 53 N 0.74 0.16 -0.26 2.72 2.20 -0.22 -2.85 119.74 122.23 1x0h s LYS 53 Ca 0.24 -0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1x0h s LYS 53 Cb -0.15 -1.33 0.12 0.00 -1.51 0.00 0.00 37.83 34.96 1x0h s LYS 53 CO 0.09 -0.85 0.24 0.00 -0.36 0.00 0.00 175.35 174.48 1x0h s ALA 54 N 2.18 -0.20 0.08 3.13 0.00 -1.26 -0.32 121.76 125.37 1x0h s ALA 54 Ca 0.06 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1x0h s ALA 54 Cb -0.16 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1x0h s ALA 54 CO -0.23 -1.53 0.39 0.15 0.00 0.00 0.00 175.76 174.54 1x0h s LYS 55 N 2.30 0.96 0.02 0.00 -0.14 -1.26 -5.04 119.74 116.58 1x0h s LYS 55 Ca 0.08 -0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1x0h s LYS 55 Cb -0.15 0.43 -0.27 0.00 -1.68 0.00 0.00 37.83 36.16 1x0h s LYS 55 CO -0.27 -0.35 0.90 0.74 -0.76 0.00 0.00 175.35 175.62 1x0h h PHE 56 N 2.77 0.36 0.00 3.18 -1.00 -2.00 -3.41 116.94 116.84 1x0h h PHE 56 Ca -0.32 -0.27 -0.05 0.00 2.81 0.00 0.00 57.97 60.14 1x0h h PHE 56 Cb 1.22 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 1x0h h PHE 56 CO 0.38 1.30 -1.19 -1.33 -1.61 0.00 0.00 178.31 175.86 1x0h n MET 57 N -3.41 0.08 0.00 1.51 2.81 -1.26 -5.14 117.12 111.72 1x0h n MET 57 Ca -0.14 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1x0h n MET 57 Cb 1.03 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.54 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0h n GLY 58 N 3.25 1.11 3.55 3.03 0.00 -1.26 -5.08 105.19 109.78 1x0h n GLY 58 Ca -0.06 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1x0h n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x0h s VAL 59 N 0.00 4.05 0.38 1.61 -7.23 -1.26 -5.02 120.40 112.94 1x0h s VAL 59 Ca 0.00 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1x0h s VAL 59 Cb 0.00 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1x0h s VAL 59 CO 0.00 0.51 0.00 0.00 -0.31 0.00 0.00 175.10 175.30 1x0h n GLN 60 N 3.25 -3.00 -0.12 4.82 1.13 -1.26 -4.75 117.38 117.45 1x0h n GLN 60 Ca -0.17 2.06 -0.20 0.00 -1.94 0.00 0.00 57.00 56.75 1x0h n GLN 60 Cb 0.53 -3.64 -0.12 0.00 0.11 0.00 0.00 30.24 27.12 1x0h n GLN 60 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1x0h n MET 61 N -4.29 0.65 -1.67 -1.09 2.81 -1.26 -4.93 117.12 107.35 1x0h n MET 61 Ca -0.01 0.18 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 1x0h n MET 61 Cb 0.67 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 1x0h n MET 61 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1x0h s GLU 62 N -2.52 4.14 0.71 0.03 8.01 -1.26 -4.97 118.70 122.83 1x0h s GLU 62 Ca -0.34 2.63 -0.11 0.00 0.01 0.00 0.00 54.97 57.15 1x0h s GLU 62 Cb 0.09 -3.96 0.02 0.00 -4.31 0.00 0.00 34.13 25.97 1x0h s GLU 62 CO 0.60 -0.92 1.08 0.99 0.01 0.00 0.00 175.26 177.02 1x0h s THR 63 N 3.86 3.70 -0.23 3.63 2.01 -1.26 -5.00 115.64 122.36 1x0h s THR 63 Ca 0.86 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.13 1x0h s THR 63 Cb -0.44 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1x0h s THR 63 CO 0.40 -0.72 1.13 0.12 -0.69 0.00 0.00 174.62 174.86 1x0h s PHE 64 N -3.24 3.12 -0.29 4.92 5.36 -1.13 -4.97 117.98 121.75 1x0h s PHE 64 Ca 0.58 1.26 -0.16 0.00 -0.96 0.00 0.00 56.93 57.65 1x0h s PHE 64 Cb -0.12 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 39.09 1x0h s PHE 64 CO 0.53 -0.97 0.40 1.41 -1.46 0.00 0.00 175.22 175.13 1x0h s MET 65 N 3.41 3.91 -0.13 10.12 1.75 -1.26 -0.90 119.30 136.20 1x0h s MET 65 Ca 0.48 -0.02 -0.06 0.00 -1.25 0.00 0.00 55.69 54.84 1x0h s MET 65 Cb -0.17 -3.69 -0.04 0.00 2.84 0.00 0.00 34.83 33.77 1x0h s MET 65 CO 0.11 -0.36 0.10 -1.17 -0.65 0.00 0.00 175.02 173.05 1x0h s LEU 66 N 2.12 4.14 0.36 4.11 2.96 -0.54 -4.99 118.68 126.85 1x0h s LEU 66 Ca 0.16 0.34 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 1x0h s LEU 66 Cb -0.16 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1x0h s LEU 66 CO 0.10 0.36 0.43 -1.00 -1.32 0.00 0.00 176.35 174.92 1x0h s HIS 67 N -0.71 2.97 -0.19 5.38 3.76 -1.26 -2.98 115.29 122.25 1x0h s HIS 67 Ca 0.13 -0.30 0.08 0.00 -0.15 0.00 0.00 55.06 54.82 1x0h s HIS 67 Cb -0.12 -2.01 -0.22 0.00 1.11 0.00 0.00 32.58 31.34 1x0h s HIS 67 CO 0.03 -0.03 0.08 0.98 -0.85 0.00 0.00 174.74 174.95 1x0h n TYR 68 N -1.59 0.29 0.01 1.40 4.19 -1.26 -4.16 117.16 116.05 1x0h n TYR 68 Ca 0.01 0.08 0.04 0.00 3.31 0.00 0.00 57.90 61.34 1x0h n TYR 68 Cb 0.59 -1.05 0.43 0.00 0.49 0.00 0.00 39.34 39.80 1x0h n TYR 68 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 1x0h h GLN 69 N 0.01 0.51 -0.21 2.98 5.75 -1.96 -1.66 115.11 120.53 1x0h h GLN 69 Ca -0.51 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 57.83 1x0h h GLN 69 Cb 2.06 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 30.49 1x0h h GLN 69 CO 0.00 0.35 -0.40 0.22 -2.65 0.00 0.00 178.83 176.35 1x0h h ASP 70 N 0.52 0.51 0.23 -0.69 1.82 -2.00 -2.02 116.42 114.80 1x0h h ASP 70 Ca 0.14 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 1x0h h ASP 70 Cb -0.03 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.84 1x0h h ASP 70 CO -0.03 0.86 -0.11 -0.07 -1.61 0.00 0.00 179.24 178.28 1x0h h LEU 71 N 0.40 -0.27 -1.59 2.28 3.38 -1.48 -2.81 115.31 115.23 1x0h h LEU 71 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1x0h h LEU 71 Cb 0.88 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1x0h h LEU 71 CO 0.07 0.06 0.19 -0.07 0.09 0.00 0.00 178.44 178.78 1x0h h LEU 72 N -0.61 0.40 -1.54 1.67 3.38 -1.46 -1.49 115.31 115.66 1x0h h LEU 72 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1x0h h LEU 72 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1x0h h LEU 72 CO 0.05 0.33 0.00 -0.61 0.09 0.00 0.00 178.44 178.30 1x0h h GLN 73 N 0.47 0.29 -0.19 1.13 -0.00 -1.25 -2.25 115.11 113.32 1x0h h GLN 73 Ca 0.12 -0.04 -0.20 0.00 -0.00 0.00 0.00 58.65 58.53 1x0h h GLN 73 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.44 1x0h h GLN 73 CO -0.02 0.32 -0.68 -0.07 0.00 0.00 0.00 178.83 178.37 1x0h h LEU 74 N 0.29 0.86 -1.39 -2.39 3.38 -1.01 -0.17 115.31 114.88 1x0h h LEU 74 Ca 0.07 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 1x0h h LEU 74 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1x0h h LEU 74 CO 0.00 1.31 -0.24 -0.61 0.09 0.00 0.00 178.44 178.99 1x0h h GLN 75 N 0.53 0.10 0.04 1.13 4.15 -1.23 0.34 115.11 120.17 1x0h h GLN 75 Ca -0.02 -0.03 -0.28 0.00 0.77 0.00 0.00 58.65 59.09 1x0h h GLN 75 Cb 1.29 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 1x0h h GLN 75 CO 0.14 0.34 -1.51 -0.92 -1.93 0.00 0.00 178.83 174.95 1x0h h TYR 76 N 0.09 0.14 -0.03 3.99 3.20 -1.35 -3.34 116.97 119.66 1x0h h TYR 76 Ca 0.01 -0.10 -0.20 0.00 3.14 0.00 0.00 58.73 61.58 1x0h h TYR 76 Cb 0.48 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1x0h h TYR 76 CO 0.00 1.14 -0.84 0.93 -1.64 0.00 0.00 178.16 177.76 1x0h h GLU 77 N 0.02 0.36 0.00 1.82 5.08 -0.75 -3.48 114.58 117.63 1x0h h GLU 77 Ca -0.22 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1x0h h GLU 77 Cb 1.95 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1x0h h GLU 77 CO 0.11 1.01 0.00 0.41 -1.00 0.00 0.00 179.01 179.54 1x0h n GLY 78 N 0.76 1.94 3.18 -3.84 0.00 0.33 -5.07 105.19 102.48 1x0h n GLY 78 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.81 0.05 1.61 1.01 0.93 -4.92 120.40 120.89 1x0h s VAL 79 Ca 0.00 -1.88 0.09 0.00 0.00 0.00 0.00 61.98 60.20 1x0h s VAL 79 Cb 0.00 -3.53 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 1x0h s VAL 79 CO 0.00 -0.72 1.21 0.00 0.00 0.00 0.00 175.10 175.59 1x0h h ALA 80 N 8.28 0.46 -2.91 5.51 0.00 -1.95 -3.39 119.26 125.26 1x0h h ALA 80 Ca -0.18 -0.92 -0.61 0.00 0.00 0.00 0.00 54.91 53.20 1x0h h ALA 80 Cb 1.06 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1x0h h ALA 80 CO 0.78 1.19 -0.34 0.08 0.00 0.00 0.00 179.25 180.97 1x0h s VAL 81 N -2.74 5.29 -0.16 0.00 1.01 -1.26 0.62 120.40 123.16 1x0h s VAL 81 Ca 0.01 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1x0h s VAL 81 Cb 0.09 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1x0h s VAL 81 CO 0.81 0.49 -0.21 -0.32 0.00 0.00 0.00 175.10 175.87 1x0h s MET 82 N -0.24 2.98 -0.61 2.72 1.75 0.09 -4.89 119.30 121.11 1x0h s MET 82 Ca 0.17 -0.84 -0.28 0.00 -1.25 0.00 0.00 55.69 53.50 1x0h s MET 82 Cb -0.13 -2.48 0.02 0.00 2.84 0.00 0.00 34.83 35.08 1x0h s MET 82 CO 0.06 -0.10 1.32 0.21 -0.65 0.00 0.00 175.02 175.86 1x0h s LYS 83 N 1.04 3.32 -0.22 4.11 2.47 -1.26 -1.50 119.74 127.70 1x0h s LYS 83 Ca -0.02 0.23 -0.11 0.00 -1.56 0.00 0.00 55.97 54.51 1x0h s LYS 83 Cb -0.14 -4.11 -0.05 0.00 -1.46 0.00 0.00 37.83 32.07 1x0h s LYS 83 CO -0.07 -1.93 0.16 -0.51 0.16 0.00 0.00 175.35 173.16 1x0h s LEU 84 N 5.71 4.16 -2.05 5.43 1.43 0.13 -4.24 118.68 129.26 1x0h s LEU 84 Ca 0.46 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1x0h s LEU 84 Cb -0.09 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1x0h s LEU 84 CO 0.23 0.11 0.00 0.49 0.23 0.00 0.00 176.35 177.41 1x0h n PHE 85 N 3.94 -0.23 -2.27 0.29 3.72 -1.26 -1.84 117.46 119.81 1x0h n PHE 85 Ca -0.15 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.10 1x0h n PHE 85 Cb 0.52 -3.50 -0.02 0.00 -0.94 0.00 0.00 39.48 35.54 1x0h n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1x0h n ASP 86 N -1.40 -4.50 0.00 4.37 9.92 -1.26 -4.68 116.55 118.99 1x0h n ASP 86 Ca -0.21 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1x0h n ASP 86 Cb 0.67 -3.84 0.00 0.00 -0.64 0.00 0.00 41.12 37.31 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x0h n ARG 87 N -2.74 0.00 -2.55 -1.24 5.12 -0.77 -5.04 116.66 109.44 1x0h n ARG 87 Ca -0.18 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.39 1x0h n ARG 87 Cb 0.62 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.88 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0h s ALA 88 N -1.81 3.02 -0.04 7.54 0.00 -0.85 -3.24 121.76 126.37 1x0h s ALA 88 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1x0h s ALA 88 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1x0h s ALA 88 CO 0.00 -0.24 -0.23 0.15 0.00 0.00 0.00 175.76 175.43 1x0h s LYS 89 N -2.74 2.34 0.08 0.00 1.02 -0.35 0.20 119.74 120.28 1x0h s LYS 89 Ca 0.61 -0.88 0.07 0.00 0.02 0.00 0.00 55.97 55.80 1x0h s LYS 89 Cb -0.20 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1x0h s LYS 89 CO 0.25 0.51 -0.20 0.08 -0.92 0.00 0.00 175.35 175.07 1x0h s VAL 90 N -0.48 1.60 -0.14 3.17 1.01 -0.56 -0.49 120.40 124.50 1x0h s VAL 90 Ca 0.06 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 1x0h s VAL 90 Cb -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1x0h s VAL 90 CO 0.01 -0.02 1.26 0.21 0.00 0.00 0.00 175.10 176.56 1x0h s ASN 91 N -1.68 6.96 0.21 3.32 3.84 0.15 -0.73 114.94 127.00 1x0h s ASN 91 Ca 0.05 1.72 -0.04 0.00 0.21 0.00 0.00 52.86 54.80 1x0h s ASN 91 Cb -0.10 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.23 1x0h s ASN 91 CO 0.03 -0.73 1.60 0.58 -2.79 0.00 0.00 177.10 175.79 1x0h h VAL 92 N 5.40 1.28 -0.03 -5.21 2.07 -0.10 0.84 116.25 120.51 1x0h h VAL 92 Ca -0.28 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 1x0h h VAL 92 Cb 1.11 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1x0h h VAL 92 CO 0.95 0.47 -0.09 -1.13 0.02 0.00 0.00 177.57 177.79 1x0h h ASN 93 N 0.64 0.04 0.03 0.57 -1.24 -1.88 -2.62 115.58 111.12 1x0h h ASN 93 Ca 0.08 -0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.76 1x0h h ASN 93 Cb 0.81 -0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.79 1x0h h ASN 93 CO 0.07 0.13 -2.30 0.18 -1.29 0.00 0.00 177.43 174.23 1x0h n LEU 94 N -4.41 0.05 -0.05 0.34 4.77 -1.08 -3.81 117.00 112.81 1x0h n LEU 94 Ca -0.02 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1x0h n LEU 94 Cb 0.18 0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1x0h n LEU 94 CO 0.36 0.43 0.90 0.25 -1.33 0.00 0.00 177.39 177.99 1x0h h LEU 95 N 0.00 0.04 -0.54 2.23 5.85 0.95 0.83 115.31 124.68 1x0h h LEU 95 Ca -0.46 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.13 1x0h h LEU 95 Cb 2.07 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 43.12 1x0h h LEU 95 CO 0.03 0.05 -0.71 0.40 -0.34 0.00 0.00 178.44 177.87 1x0h h ILE 96 N 0.15 1.46 -0.12 4.05 2.04 -1.69 -2.97 117.51 120.43 1x0h h ILE 96 Ca 0.10 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.64 1x0h h ILE 96 Cb 0.09 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1x0h h ILE 96 CO -0.12 0.67 0.03 0.15 0.00 0.00 0.00 178.15 178.88 1x0h h PHE 97 N 0.09 0.20 -0.09 1.37 3.57 -1.54 0.07 116.94 120.61 1x0h h PHE 97 Ca -0.02 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1x0h h PHE 97 Cb 1.26 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1x0h h PHE 97 CO 0.01 0.36 0.04 1.25 -2.23 0.00 0.00 178.31 177.74 1x0h h LEU 98 N -0.01 0.05 -1.64 0.59 5.85 -0.88 -2.13 115.31 117.13 1x0h h LEU 98 Ca 0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1x0h h LEU 98 Cb 0.26 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1x0h h LEU 98 CO 0.00 0.04 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.87 1x0h h LEU 99 N 0.09 0.00 -2.12 2.25 3.38 -1.49 0.14 115.31 117.56 1x0h h LEU 99 Ca 0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1x0h h LEU 99 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x0h h LEU 99 CO -0.03 0.20 0.14 -1.13 0.09 0.00 0.00 178.44 177.71 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -0.27 0.27 115.58 114.42 1x0h h ASN 100 Ca -0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 1x0h h ASN 100 Cb 0.39 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.94 1x0h h ASN 100 CO 0.03 0.00 -1.77 0.29 -0.37 0.00 0.00 177.43 175.61 1x0h n LYS 101 N -4.21 2.06 0.00 6.67 5.02 -0.86 -4.15 118.16 122.68 1x0h n LYS 101 Ca 0.01 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1x0h n LYS 101 Cb 0.27 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x0h n LYS 102 N -2.44 0.00 -0.03 1.97 4.76 0.44 -4.54 118.16 118.32 1x0h n LYS 102 Ca -0.19 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.27 1x0h n LYS 102 Cb 0.86 -0.83 -0.11 0.00 -1.84 0.00 0.00 35.03 33.11 1x0h n LYS 102 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1x0h h PHE 103 N 0.00 0.04 -1.81 2.13 -1.00 -1.56 -3.43 116.94 111.31 1x0h h PHE 103 Ca 0.00 -0.02 -0.60 0.00 2.81 0.00 0.00 57.97 60.17 1x0h h PHE 103 Cb 0.00 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 1x0h h PHE 103 CO 0.03 0.65 1.49 0.66 -1.61 0.00 0.00 178.31 179.53 1x0h n TYR 104 N -4.76 1.87 0.00 -0.55 4.02 0.86 -4.60 117.16 114.00 1x0h n TYR 104 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1x0h n TYR 104 Cb 0.32 -2.69 0.00 0.00 -0.02 0.00 0.00 39.34 36.95 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x0h n GLY 105 N 5.92 1.95 2.21 2.72 0.00 -1.26 -4.28 105.19 112.44 1x0h n GLY 105 Ca 0.32 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1x0h n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x0h n LYS 106 N 0.00 2.43 -2.50 1.61 4.76 -1.26 -4.90 118.16 118.30 1x0h n LYS 106 Ca 0.00 -2.84 -0.39 0.00 -2.87 0.00 0.00 58.31 52.20 1x0h n LYS 106 Cb 0.00 -2.12 -0.03 0.00 -1.84 0.00 0.00 35.03 31.04 1x0h n LYS 106 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x0h s SER 107 N -1.31 6.35 0.00 4.39 0.15 -1.26 -4.95 113.70 117.07 1x0h s SER 107 Ca 0.56 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1x0h s SER 107 Cb 0.44 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1x0h s SER 107 CO 0.00 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.40 1x0h n GLY 108 N 6.86 0.89 3.75 9.45 0.00 -1.26 -5.02 105.19 119.86 1x0h n GLY 108 Ca 0.33 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 0.37 2.14 -0.14 1.61 0.04 -1.26 -4.98 135.00 132.77 1x0h s PRO 109 Ca 0.00 1.30 0.15 0.00 0.04 0.00 0.00 61.00 62.49 1x0h s PRO 109 Cb 0.00 -1.87 0.34 0.00 0.04 0.00 0.00 34.50 33.01 1x0h s PRO 109 CO 0.00 -1.75 1.17 -1.13 0.04 0.00 0.00 177.00 175.33 1x0h n SER 110 N -3.41 1.72 -0.56 6.66 3.41 -1.26 -5.11 113.62 115.07 1x0h n SER 110 Ca 0.10 -3.26 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 1x0h n SER 110 Cb 0.53 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1x0h n SER 110 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x0h n SER 111 N -0.97 -3.75 -0.36 4.04 3.41 -1.26 -5.34 113.62 109.38 1x0h n SER 111 Ca 0.15 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.90 1x0h n SER 111 Cb 0.72 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.30 1x0h n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49