#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 -5.89 -4.61 1.61 2.88 -1.26 -4.99 113.62 101.36 1x0h n SER 2 Ca 0.00 -0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.15 1x0h n SER 2 Cb 0.00 -4.85 -0.09 0.00 -0.75 0.00 0.00 64.21 58.52 1x0h n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x0h s SER 3 N -2.27 4.58 0.00 -3.46 0.15 -1.26 -5.02 113.70 106.42 1x0h s SER 3 Ca 0.09 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1x0h s SER 3 Cb -0.04 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1x0h s SER 3 CO 0.11 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1x0h n GLY 4 N 0.51 0.54 2.92 9.45 0.00 -1.26 -5.03 105.19 112.33 1x0h n GLY 4 Ca -0.12 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 -6.12 -4.04 1.61 7.64 -1.26 -4.99 113.62 106.46 1x0h n SER 5 Ca 0.00 -0.25 -0.25 0.00 1.01 0.00 0.00 58.87 59.38 1x0h n SER 5 Cb 0.00 -4.96 0.16 0.00 -1.01 0.00 0.00 64.21 58.40 1x0h n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x0h n SER 6 N -2.43 0.58 0.00 6.43 7.64 -1.26 -4.80 113.62 119.77 1x0h n SER 6 Ca -0.13 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1x0h n SER 6 Cb 0.63 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1x0h n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 7 N -2.78 1.61 1.48 0.23 0.00 -1.26 -5.02 105.19 99.45 1x0h n GLY 7 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1x0h n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x0h n ILE 8 N -0.55 -2.62 -3.58 -0.61 5.41 -1.26 -4.93 119.36 111.22 1x0h n ILE 8 Ca 0.00 1.35 0.02 0.00 1.00 0.00 0.00 62.75 65.12 1x0h n ILE 8 Cb 0.00 -2.23 -0.06 0.00 -0.71 0.00 0.00 39.64 36.64 1x0h n ILE 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1x0h s SER 9 N -5.41 -0.09 -0.03 4.38 0.01 -1.26 -4.80 113.70 106.49 1x0h s SER 9 Ca 0.00 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1x0h s SER 9 Cb 0.00 1.05 -0.03 0.00 0.21 0.00 0.00 66.02 67.25 1x0h s SER 9 CO 0.00 -0.02 1.07 -0.76 0.41 0.00 0.00 173.24 173.94 1x0h s LEU 10 N 1.22 4.31 -0.43 2.44 1.43 -1.18 -4.98 118.68 121.49 1x0h s LEU 10 Ca -0.07 1.72 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 1x0h s LEU 10 Cb -0.02 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.75 1x0h s LEU 10 CO -0.11 -0.42 0.26 -0.54 0.23 0.00 0.00 176.35 175.77 1x0h s LYS 11 N 1.59 2.20 0.17 1.70 -0.14 -1.26 -3.14 119.74 120.85 1x0h s LYS 11 Ca 0.53 -1.80 0.10 0.00 -1.36 0.00 0.00 55.97 53.45 1x0h s LYS 11 Cb -0.22 -3.72 -0.04 0.00 -1.68 0.00 0.00 37.83 32.16 1x0h s LYS 11 CO 0.24 -1.12 -0.23 0.71 -0.76 0.00 0.00 175.35 174.19 1x0h s TYR 12 N 1.23 2.13 0.22 3.18 2.02 -1.05 -5.02 117.35 120.05 1x0h s TYR 12 Ca 0.07 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 56.47 1x0h s TYR 12 Cb -0.24 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1x0h s TYR 12 CO -0.03 0.40 -0.08 0.95 -1.57 0.00 0.00 175.55 175.22 1x0h s THR 13 N -1.60 3.17 0.26 -0.71 -4.23 -1.26 -0.05 115.64 111.22 1x0h s THR 13 Ca 0.17 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1x0h s THR 13 Cb -0.08 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.41 1x0h s THR 13 CO 0.08 -0.22 1.91 0.00 -0.54 0.00 0.00 174.62 175.85 1x0h h ALA 14 N 2.55 1.33 -0.45 3.99 0.00 -1.48 -1.54 119.26 123.66 1x0h h ALA 14 Ca -0.45 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1x0h h ALA 14 Cb 1.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1x0h h ALA 14 CO 0.56 0.57 -0.24 0.00 0.00 0.00 0.00 179.25 180.14 1x0h h ALA 15 N 1.41 0.71 -0.12 0.00 0.00 -1.75 0.11 119.26 119.61 1x0h h ALA 15 Ca 0.40 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x0h h ALA 15 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1x0h h ALA 15 CO -0.12 0.67 -0.16 -0.09 0.00 0.00 0.00 179.25 179.55 1x0h h ARG 16 N 0.81 0.19 0.21 0.00 9.65 -1.71 -1.79 114.38 121.73 1x0h h ARG 16 Ca 0.10 -0.04 -0.35 0.00 -1.10 0.00 0.00 59.98 58.59 1x0h h ARG 16 Cb 0.82 -0.02 0.02 0.00 -1.39 0.00 0.00 29.97 29.39 1x0h h ARG 16 CO 0.07 0.35 -1.69 -0.07 2.80 0.00 0.00 179.97 181.43 1x0h h LEU 17 N 0.18 0.68 -1.32 3.80 3.38 -1.09 -3.19 115.31 117.75 1x0h h LEU 17 Ca 0.04 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1x0h h LEU 17 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1x0h h LEU 17 CO 0.02 1.77 0.43 -0.74 0.09 0.00 0.00 178.44 180.02 1x0h h HIS 18 N 0.12 0.84 -0.03 1.13 2.76 -0.61 0.28 115.15 119.64 1x0h h HIS 18 Ca -0.32 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 57.72 1x0h h HIS 18 Cb 2.12 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 30.78 1x0h h HIS 18 CO 0.11 0.54 -0.61 0.93 -1.30 0.00 0.00 177.93 177.60 1x0h h GLU 19 N 0.90 0.09 0.01 5.26 4.39 -1.44 -3.08 114.58 120.71 1x0h h GLU 19 Ca 0.24 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.68 1x0h h GLU 19 Cb -0.08 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1x0h h GLU 19 CO -0.05 0.68 -0.92 0.87 -1.16 0.00 0.00 179.01 178.43 1x0h h LYS 20 N 0.07 0.07 0.00 2.33 1.57 -1.30 -3.48 116.57 115.84 1x0h h LYS 20 Ca -0.01 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1x0h h LYS 20 Cb 1.10 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1x0h h LYS 20 CO 0.09 0.94 0.00 0.41 -0.57 0.00 0.00 179.45 180.31 1x0h n GLY 21 N 1.04 2.00 0.30 3.86 0.00 -0.00 -5.01 105.19 107.38 1x0h n GLY 21 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.18 1.61 2.07 -1.72 -3.42 116.25 111.61 1x0h h VAL 22 Ca 0.00 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.98 1x0h h VAL 22 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1x0h h VAL 22 CO 0.00 0.00 0.58 -0.22 0.02 0.00 0.00 177.57 177.95 1x0h s LEU 23 N -7.61 4.36 -0.03 2.57 2.96 -1.15 0.14 118.68 119.91 1x0h s LEU 23 Ca -0.11 1.97 -0.02 0.00 -0.22 0.00 0.00 54.13 55.75 1x0h s LEU 23 Cb 0.02 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1x0h s LEU 23 CO 0.35 -0.48 -0.04 0.18 -1.32 0.00 0.00 176.35 175.04 1x0h n LEU 24 N 4.15 0.31 0.00 -0.68 4.77 -0.86 -4.09 117.00 120.62 1x0h n LEU 24 Ca 0.09 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1x0h n LEU 24 Cb 0.47 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1x0h n LEU 24 CO 0.55 -0.49 0.54 -0.62 -1.33 0.00 0.00 177.39 176.04 1x0h n GLU 25 N -2.70 1.14 -3.88 3.23 1.02 -1.17 -5.01 120.64 113.28 1x0h n GLU 25 Ca -0.01 -2.24 -0.12 0.00 -0.02 0.00 0.00 57.16 54.77 1x0h n GLU 25 Cb 0.05 2.79 -0.14 0.00 -0.02 0.00 0.00 31.44 34.13 1x0h n GLU 25 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x0h s ILE 26 N -2.09 0.01 -0.53 -3.67 1.01 -1.26 -0.15 121.20 114.51 1x0h s ILE 26 Ca 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1x0h s ILE 26 Cb -0.05 -0.03 0.04 0.00 0.01 0.00 0.00 42.46 42.43 1x0h s ILE 26 CO 0.12 -0.03 2.80 -0.62 0.00 0.00 0.00 174.94 177.21 1x0h n GLU 27 N 2.99 2.65 0.00 2.79 -0.58 -0.84 -4.03 120.64 123.62 1x0h n GLU 27 Ca -0.13 -2.37 0.00 0.00 -0.42 0.00 0.00 57.16 54.24 1x0h n GLU 27 Cb 0.60 -2.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 1.13 0.00 -4.73 1.62 2.03 -1.26 -4.91 116.55 110.43 1x0h n ASP 28 Ca 0.50 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.46 1x0h n ASP 28 Cb 0.54 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 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 -1.80 4.22 0.73 -2.67 2.01 -1.26 -5.09 118.68 114.82 1x0h s LEU 29 Ca 0.00 0.27 -0.11 0.00 0.01 0.00 0.00 54.13 54.29 1x0h s LEU 29 Cb 0.00 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 44.11 1x0h s LEU 29 CO 0.00 0.18 1.09 -1.10 1.01 0.00 0.00 176.35 177.52 1x0h s GLN 30 N 0.33 2.63 0.53 1.70 -0.21 -1.26 -4.29 119.66 119.09 1x0h s GLN 30 Ca 0.09 0.61 0.26 0.00 0.02 0.00 0.00 55.36 56.35 1x0h s GLN 30 Cb -0.11 -1.98 1.40 0.00 1.00 0.00 0.00 33.01 33.32 1x0h s GLN 30 CO -0.01 -1.23 1.98 0.28 -2.12 0.00 0.00 175.29 174.19 1x0h h VAL 31 N -0.80 0.71 0.00 1.09 2.07 -1.98 0.19 116.25 117.53 1x0h h VAL 31 Ca -0.46 -0.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 1x0h h VAL 31 Cb 1.25 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1x0h h VAL 31 CO 0.61 0.00 -0.83 -0.55 0.02 0.00 0.00 177.57 176.82 1x0h h ASN 32 N 0.01 0.00 1.35 0.57 -1.07 -2.04 -3.14 115.58 111.26 1x0h h ASN 32 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.65 1x0h h ASN 32 Cb 1.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 1x0h h ASN 32 CO -0.01 0.83 0.00 1.56 0.07 0.00 0.00 177.43 179.89 1x0h h GLN 33 N 0.00 0.00 -0.80 4.14 4.20 -0.97 -3.17 115.11 118.51 1x0h h GLN 33 Ca -0.01 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.93 1x0h h GLN 33 Cb 1.52 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.27 1x0h h GLN 33 CO 0.11 0.00 0.59 0.74 -0.67 0.00 0.00 178.83 179.59 1x0h h PHE 34 N 0.00 0.00 0.15 2.96 -1.00 -1.39 -0.91 116.94 116.76 1x0h h PHE 34 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1x0h h PHE 34 Cb 0.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1x0h h PHE 34 CO 0.00 0.00 -0.07 0.87 -1.61 0.00 0.00 178.31 177.50 1x0h h LYS 35 N 0.00 -0.20 0.00 1.51 1.57 -1.77 -2.58 116.57 115.10 1x0h h LYS 35 Ca 0.38 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1x0h h LYS 35 Cb 1.55 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 1x0h h LYS 35 CO -0.00 -0.07 -0.41 -2.95 -0.57 0.00 0.00 179.45 175.44 1x0h h ASN 36 N -0.28 0.00 -4.01 0.86 7.08 -1.43 -3.45 115.58 114.35 1x0h h ASN 36 Ca -0.02 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.67 1x0h h ASN 36 Cb 0.22 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 36.56 1x0h h ASN 36 CO 0.03 0.41 0.58 -0.69 -2.08 0.00 0.00 177.43 175.68 1x0h s VAL 37 N -4.09 2.48 -0.16 6.14 1.01 -0.70 -5.01 120.40 120.07 1x0h s VAL 37 Ca -0.02 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1x0h s VAL 37 Cb 0.14 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1x0h s VAL 37 CO 0.73 0.01 0.42 -0.51 0.00 0.00 0.00 175.10 175.75 1x0h s ILE 38 N -1.37 -0.01 -0.11 2.22 2.07 -1.26 -3.13 121.20 119.61 1x0h s ILE 38 Ca 0.66 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.95 1x0h s ILE 38 Cb -0.37 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 1x0h s ILE 38 CO 0.44 0.01 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.95 1x0h s PHE 39 N 0.61 2.69 -0.30 3.50 0.08 0.93 -2.47 117.98 123.03 1x0h s PHE 39 Ca -0.03 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.24 1x0h s PHE 39 Cb -0.05 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 1x0h s PHE 39 CO -0.04 -0.25 0.01 -2.00 -0.10 0.00 0.00 175.22 172.84 1x0h s GLU 40 N 0.23 2.55 -0.37 0.44 -6.30 -0.52 -2.54 118.70 112.20 1x0h s GLU 40 Ca -0.12 -1.19 -0.13 0.00 -2.50 0.00 0.00 54.97 51.04 1x0h s GLU 40 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 34.13 30.78 1x0h s GLU 40 CO 0.06 -0.58 0.24 0.42 0.02 0.00 0.00 175.26 175.43 1x0h s ILE 41 N 1.30 5.08 -0.40 -3.70 1.01 -1.19 -2.83 121.20 120.47 1x0h s ILE 41 Ca -0.04 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1x0h s ILE 41 Cb -0.19 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1x0h s ILE 41 CO -0.01 -0.14 0.70 -0.44 0.00 0.00 0.00 174.94 175.06 1x0h s SER 42 N 1.67 6.42 1.07 3.58 0.01 0.90 -3.07 113.70 124.28 1x0h s SER 42 Ca 0.05 -0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 1x0h s SER 42 Cb -0.18 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.76 1x0h s SER 42 CO 0.09 -0.75 0.14 -2.65 0.41 0.00 0.00 173.24 170.48 1x0h n PRO 43 N 6.34 -2.37 -4.10 12.44 -0.02 -1.26 -2.14 135.00 143.89 1x0h n PRO 43 Ca 0.00 -0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.17 1x0h n PRO 43 Cb 0.48 -0.30 -0.10 0.00 -0.02 0.00 0.00 33.50 33.56 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 -1.19 0.28 0.22 3.45 -4.23 -1.26 -4.71 115.64 108.20 1x0h s THR 44 Ca 0.11 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1x0h s THR 44 Cb -0.02 -1.54 0.19 0.00 1.34 0.00 0.00 72.50 72.47 1x0h s THR 44 CO 0.09 -0.98 1.90 -0.33 -0.54 0.00 0.00 174.62 174.75 1x0h h GLU 45 N 3.13 1.09 -7.29 3.99 5.08 -1.98 -3.43 114.58 115.17 1x0h h GLU 45 Ca -0.34 -0.07 -0.47 0.00 -1.00 0.00 0.00 59.36 57.49 1x0h h GLU 45 Cb 1.14 -0.25 0.10 0.00 0.50 0.00 0.00 28.75 30.25 1x0h h GLU 45 CO 0.66 0.72 0.18 -1.21 -1.00 0.00 0.00 179.01 178.37 1x0h s GLU 46 N -6.13 1.35 -0.27 2.33 0.41 -1.26 -5.08 118.70 110.05 1x0h s GLU 46 Ca -0.13 -1.02 -0.02 0.00 -0.41 0.00 0.00 54.97 53.39 1x0h s GLU 46 Cb 0.16 -2.21 0.03 0.00 -1.78 0.00 0.00 34.13 30.33 1x0h s GLU 46 CO 0.79 -1.74 -0.03 0.54 -0.49 0.00 0.00 175.26 174.34 1x0h s VAL 47 N -3.34 3.05 0.00 2.63 0.11 -1.26 -4.62 120.40 116.97 1x0h s VAL 47 Ca 0.69 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1x0h s VAL 47 Cb -0.04 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1x0h s VAL 47 CO 0.47 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 1x0h n GLY 48 N 4.68 2.17 3.72 6.54 0.00 -1.26 -5.13 105.19 115.91 1x0h n GLY 48 Ca -0.15 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 5.39 0.29 1.61 2.15 -1.26 -4.01 116.67 120.85 1x0h s ASP 49 Ca 0.00 0.14 0.03 0.00 0.43 0.00 0.00 52.55 53.15 1x0h s ASP 49 Cb 0.00 -1.53 -0.06 0.00 -0.30 0.00 0.00 42.92 41.04 1x0h s ASP 49 CO 0.00 0.34 0.07 -0.36 -0.17 0.00 0.00 175.17 175.05 1x0h s PHE 50 N -0.99 1.77 -0.31 -5.34 0.08 -1.20 -4.24 117.98 107.76 1x0h s PHE 50 Ca 0.16 -1.05 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1x0h s PHE 50 Cb -0.12 -1.11 0.10 0.00 -0.57 0.00 0.00 43.02 41.33 1x0h s PHE 50 CO 0.06 -0.13 0.10 -2.00 -0.10 0.00 0.00 175.22 173.15 1x0h s GLU 51 N -3.95 0.66 -0.06 0.44 2.12 -0.91 -2.90 118.70 114.10 1x0h s GLU 51 Ca 0.37 -1.01 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 1x0h s GLU 51 Cb 0.08 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.51 1x0h s GLU 51 CO 0.14 -0.98 0.30 0.08 -0.54 0.00 0.00 175.26 174.26 1x0h s VAL 52 N 1.67 5.23 -0.21 3.70 1.01 -0.98 -0.07 120.40 130.76 1x0h s VAL 52 Ca 0.09 0.58 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 1x0h s VAL 52 Cb -0.17 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1x0h s VAL 52 CO -0.26 0.57 0.63 -0.75 0.00 0.00 0.00 175.10 175.28 1x0h s LYS 53 N -0.86 0.77 -0.33 2.72 2.20 -1.13 -2.62 119.74 120.50 1x0h s LYS 53 Ca 0.20 0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 56.43 1x0h s LYS 53 Cb -0.15 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 1x0h s LYS 53 CO 0.09 -0.12 0.30 0.00 -0.36 0.00 0.00 175.35 175.26 1x0h s ALA 54 N 0.10 3.51 -0.61 3.13 0.00 -1.26 -1.44 121.76 125.18 1x0h s ALA 54 Ca -0.02 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 1x0h s ALA 54 Cb -0.04 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 1x0h s ALA 54 CO 0.02 -0.96 1.77 0.21 0.00 0.00 0.00 175.76 176.80 1x0h s LYS 55 N 1.90 2.77 0.07 0.00 2.36 -1.03 -4.04 119.74 121.76 1x0h s LYS 55 Ca 0.10 0.56 0.00 0.00 -2.55 0.00 0.00 55.97 54.07 1x0h s LYS 55 Cb -0.17 -4.34 0.00 0.00 -1.05 0.00 0.00 37.83 32.27 1x0h s LYS 55 CO 0.11 -2.57 0.00 0.34 1.55 0.00 0.00 175.35 174.78 1x0h n PHE 56 N 12.07 -2.71 -4.55 4.03 7.35 -1.26 -4.58 117.46 127.80 1x0h n PHE 56 Ca 0.18 0.24 -0.24 0.00 -0.76 0.00 0.00 57.45 56.86 1x0h n PHE 56 Cb 0.51 0.99 -0.05 0.00 0.35 0.00 0.00 39.48 41.28 1x0h n PHE 56 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x0h n MET 57 N -2.99 0.97 0.00 -4.13 0.00 -1.26 -5.11 117.12 104.59 1x0h n MET 57 Ca 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 57.70 54.84 1x0h n MET 57 Cb 0.00 0.90 0.00 0.00 0.00 0.00 0.00 33.22 34.12 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x0h n GLY 58 N 0.19 -1.94 0.27 3.17 0.00 -1.26 -4.95 105.19 100.68 1x0h n GLY 58 Ca -0.14 0.96 0.07 0.00 0.00 0.00 0.00 46.02 46.90 1x0h n GLY 58 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x0h h VAL 59 N 0.00 1.03 -3.88 1.61 -1.51 -2.00 -3.43 116.25 108.08 1x0h h VAL 59 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1x0h h VAL 59 Cb 0.00 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1x0h h VAL 59 CO 0.00 0.04 0.00 1.67 -1.23 0.00 0.00 177.57 178.05 1x0h n GLN 60 N -4.51 1.49 -2.60 5.19 7.27 -1.26 -5.07 117.38 117.89 1x0h n GLN 60 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.98 1x0h n GLN 60 Cb 0.09 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.78 1x0h n GLN 60 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1x0h n MET 61 N -0.67 2.26 -3.76 3.69 1.56 -1.26 -5.06 117.12 113.88 1x0h n MET 61 Ca 0.00 -3.70 -0.13 0.00 -0.27 0.00 0.00 57.70 53.61 1x0h n MET 61 Cb 0.00 -1.80 -0.12 0.00 2.15 0.00 0.00 33.22 33.45 1x0h n MET 61 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1x0h s GLU 62 N -3.74 0.25 0.87 2.12 2.12 -1.26 -5.16 118.70 113.90 1x0h s GLU 62 Ca 0.34 0.42 -0.11 0.00 0.36 0.00 0.00 54.97 55.97 1x0h s GLU 62 Cb 0.35 0.02 0.11 0.00 0.26 0.00 0.00 34.13 34.88 1x0h s GLU 62 CO -0.02 -0.09 1.09 0.95 -0.54 0.00 0.00 175.26 176.66 1x0h s THR 63 N 0.61 2.75 -0.46 -1.70 -4.23 -1.26 -4.98 115.64 106.38 1x0h s THR 63 Ca -0.04 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 1x0h s THR 63 Cb -0.05 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1x0h s THR 63 CO -0.03 -0.32 0.78 0.12 -0.54 0.00 0.00 174.62 174.63 1x0h s PHE 64 N -2.99 2.99 0.08 3.99 5.36 -1.08 -5.01 117.98 121.32 1x0h s PHE 64 Ca 0.63 0.12 -0.31 0.00 -0.96 0.00 0.00 56.93 56.41 1x0h s PHE 64 Cb -0.17 -3.66 -0.06 0.00 -0.34 0.00 0.00 43.02 38.79 1x0h s PHE 64 CO 0.56 -1.00 1.21 1.41 -1.46 0.00 0.00 175.22 175.94 1x0h s MET 65 N 3.28 4.43 0.01 10.12 -2.45 -1.26 -2.31 119.30 131.12 1x0h s MET 65 Ca 0.29 1.81 0.08 0.00 -1.25 0.00 0.00 55.69 56.62 1x0h s MET 65 Cb -0.12 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.61 1x0h s MET 65 CO 0.22 -0.24 -0.25 -1.17 1.05 0.00 0.00 175.02 174.62 1x0h s LEU 66 N 0.88 2.10 0.05 4.11 2.96 -1.14 -4.97 118.68 122.67 1x0h s LEU 66 Ca 0.58 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1x0h s LEU 66 Cb -0.30 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1x0h s LEU 66 CO 0.30 0.28 -0.24 -2.28 -1.32 0.00 0.00 176.35 173.09 1x0h s HIS 67 N -0.69 2.10 0.31 5.38 2.46 -1.26 -3.22 115.29 120.37 1x0h s HIS 67 Ca 0.10 -0.40 0.09 0.00 0.47 0.00 0.00 55.06 55.33 1x0h s HIS 67 Cb -0.10 -1.24 0.50 0.00 -0.13 0.00 0.00 32.58 31.62 1x0h s HIS 67 CO 0.00 0.13 1.71 -0.92 -2.47 0.00 0.00 174.74 173.20 1x0h h TYR 68 N 4.74 0.15 -0.08 3.88 3.20 -2.01 -2.81 116.97 124.05 1x0h h TYR 68 Ca -0.45 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.30 1x0h h TYR 68 Cb 1.15 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1x0h h TYR 68 CO 0.50 0.55 -0.30 1.96 -1.64 0.00 0.00 178.16 179.24 1x0h h GLN 69 N 0.11 0.14 -0.08 1.82 4.20 -1.95 -2.42 115.11 116.92 1x0h h GLN 69 Ca 0.01 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1x0h h GLN 69 Cb 0.83 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1x0h h GLN 69 CO 0.06 0.43 -0.55 0.22 -0.67 0.00 0.00 178.83 178.33 1x0h h ASP 70 N 0.12 0.24 -0.07 1.46 1.82 -1.92 -1.76 116.42 116.32 1x0h h ASP 70 Ca 0.02 -0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 56.48 1x0h h ASP 70 Cb 0.60 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1x0h h ASP 70 CO 0.04 0.74 -0.16 -0.07 -1.61 0.00 0.00 179.24 178.19 1x0h h LEU 71 N 0.17 0.25 -1.32 2.28 3.38 -1.42 -3.20 115.31 115.46 1x0h h LEU 71 Ca 0.00 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1x0h h LEU 71 Cb 1.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1x0h h LEU 71 CO 0.08 0.79 -0.34 -0.07 0.09 0.00 0.00 178.44 179.00 1x0h h LEU 72 N -0.27 0.01 -1.90 1.67 3.38 -1.46 -2.58 115.31 114.16 1x0h h LEU 72 Ca -0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1x0h h LEU 72 Cb 0.75 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1x0h h LEU 72 CO 0.03 0.35 0.13 -0.61 0.09 0.00 0.00 178.44 178.43 1x0h h GLN 73 N 0.01 0.13 0.06 1.13 -0.00 -1.31 0.41 115.11 115.54 1x0h h GLN 73 Ca -0.00 -0.01 -0.27 0.00 -0.00 0.00 0.00 58.65 58.37 1x0h h GLN 73 Cb 0.60 -0.03 0.02 0.00 0.00 0.00 0.00 27.48 28.07 1x0h h GLN 73 CO 0.04 0.08 -1.11 -0.07 0.00 0.00 0.00 178.83 177.77 1x0h h LEU 74 N 0.13 0.76 -0.80 -2.39 3.38 -1.49 -1.95 115.31 112.95 1x0h h LEU 74 Ca 0.08 -0.66 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 1x0h h LEU 74 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1x0h h LEU 74 CO -0.01 1.47 -0.57 -0.61 0.09 0.00 0.00 178.44 178.80 1x0h h GLN 75 N 0.28 0.08 0.16 1.13 4.15 -1.31 0.50 115.11 120.11 1x0h h GLN 75 Ca -0.14 -0.05 -0.31 0.00 0.77 0.00 0.00 58.65 58.91 1x0h h GLN 75 Cb 1.78 0.01 0.03 0.00 0.21 0.00 0.00 27.48 29.50 1x0h h GLN 75 CO 0.21 0.63 -1.32 -0.92 -1.93 0.00 0.00 178.83 175.50 1x0h h TYR 76 N 0.06 0.99 0.24 3.99 3.20 -0.99 -3.37 116.97 121.10 1x0h h TYR 76 Ca -0.00 -0.65 -0.01 0.00 3.14 0.00 0.00 58.73 61.20 1x0h h TYR 76 Cb 1.03 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1x0h h TYR 76 CO 0.01 1.49 -0.12 0.93 -1.64 0.00 0.00 178.16 178.83 1x0h h GLU 77 N 0.23 -0.31 0.00 1.82 4.39 -1.33 -3.49 114.58 115.90 1x0h h GLU 77 Ca -0.21 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1x0h h GLU 77 Cb 2.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1x0h h GLU 77 CO 0.25 -0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.49 1x0h n GLY 78 N 0.64 -0.05 2.65 -3.84 0.00 -0.01 -5.09 105.19 99.49 1x0h n GLY 78 Ca -0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 0.05 -0.83 1.61 1.01 0.15 -5.00 120.40 117.39 1x0h s VAL 79 Ca 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 61.98 61.96 1x0h s VAL 79 Cb 0.00 -0.61 0.61 0.00 0.00 0.00 0.00 36.38 36.38 1x0h s VAL 79 CO 0.00 -0.18 1.47 0.00 0.00 0.00 0.00 175.10 176.38 1x0h n ALA 80 N 5.23 3.28 -2.90 5.51 0.00 -1.26 -4.09 120.51 126.28 1x0h n ALA 80 Ca -0.07 -1.37 -0.13 0.00 0.00 0.00 0.00 53.44 51.87 1x0h n ALA 80 Cb 0.49 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 1x0h n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x0h s VAL 81 N -2.07 0.13 -0.20 0.00 1.01 -1.26 -1.72 120.40 116.28 1x0h s VAL 81 Ca 0.42 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1x0h s VAL 81 Cb 0.29 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.58 1x0h s VAL 81 CO 0.16 0.04 -0.16 -0.32 0.00 0.00 0.00 175.10 174.83 1x0h s MET 82 N 0.04 2.59 -0.58 2.72 1.75 -0.71 -4.84 119.30 120.27 1x0h s MET 82 Ca -0.00 -0.97 -0.27 0.00 -1.25 0.00 0.00 55.69 53.20 1x0h s MET 82 Cb -0.02 -2.61 0.00 0.00 2.84 0.00 0.00 34.83 35.05 1x0h s MET 82 CO -0.00 -0.35 1.54 0.21 -0.65 0.00 0.00 175.02 175.77 1x0h s LYS 83 N 1.26 3.11 -0.20 4.11 2.20 -1.26 -3.07 119.74 125.90 1x0h s LYS 83 Ca -0.00 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.00 1x0h s LYS 83 Cb -0.16 -4.21 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 1x0h s LYS 83 CO -0.10 -2.17 0.07 -0.51 -0.36 0.00 0.00 175.35 172.28 1x0h s LEU 84 N 6.85 3.74 -2.14 5.43 1.43 -0.54 -4.36 118.68 129.09 1x0h s LEU 84 Ca 0.56 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1x0h s LEU 84 Cb -0.12 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1x0h s LEU 84 CO 0.23 0.12 0.00 0.49 0.23 0.00 0.00 176.35 177.42 1x0h n PHE 85 N 3.88 -0.04 -2.81 0.29 3.72 -1.26 -1.99 117.46 119.25 1x0h n PHE 85 Ca -0.16 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.05 1x0h n PHE 85 Cb 0.52 -3.42 0.00 0.00 -0.94 0.00 0.00 39.48 35.64 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 -1.30 -4.60 0.00 4.37 8.00 -1.26 -4.67 116.55 117.09 1x0h n ASP 86 Ca -0.20 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1x0h n ASP 86 Cb 0.67 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x0h n ARG 87 N -3.34 0.00 -2.08 -1.24 1.74 -0.84 -4.93 116.66 105.97 1x0h n ARG 87 Ca -0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 1x0h n ARG 87 Cb 0.61 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.02 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h s ALA 88 N -1.44 3.62 -0.07 7.54 0.00 -0.96 -1.99 121.76 128.45 1x0h s ALA 88 Ca 0.00 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.24 1x0h s ALA 88 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1x0h s ALA 88 CO 0.00 -0.67 -0.19 0.15 0.00 0.00 0.00 175.76 175.05 1x0h s LYS 89 N 0.22 2.77 0.05 0.00 1.02 0.79 -1.47 119.74 123.12 1x0h s LYS 89 Ca 0.61 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.89 1x0h s LYS 89 Cb -0.40 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1x0h s LYS 89 CO 0.37 0.40 -0.21 0.08 -0.92 0.00 0.00 175.35 175.08 1x0h s VAL 90 N -0.18 1.69 -0.23 3.17 1.01 -1.17 -2.02 120.40 122.66 1x0h s VAL 90 Ca -0.01 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1x0h s VAL 90 Cb -0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1x0h s VAL 90 CO 0.03 0.19 1.52 0.21 0.00 0.00 0.00 175.10 177.05 1x0h s ASN 91 N -1.24 6.49 0.36 3.32 2.47 0.12 -1.73 114.94 124.73 1x0h s ASN 91 Ca 0.08 1.53 0.10 0.00 0.42 0.00 0.00 52.86 54.98 1x0h s ASN 91 Cb -0.09 -2.53 0.68 0.00 -1.45 0.00 0.00 41.25 37.85 1x0h s ASN 91 CO 0.02 -1.17 1.83 0.58 -3.72 0.00 0.00 177.10 174.64 1x0h h VAL 92 N 6.04 1.24 -0.67 -5.21 2.07 -1.63 0.91 116.25 119.00 1x0h h VAL 92 Ca -0.31 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 1x0h h VAL 92 Cb 1.14 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1x0h h VAL 92 CO 1.01 0.34 0.14 -1.13 0.02 0.00 0.00 177.57 177.94 1x0h h ASN 93 N 0.15 1.03 0.40 0.57 -0.00 -1.88 -2.86 115.58 112.99 1x0h h ASN 93 Ca 0.02 -0.23 -0.24 0.00 -0.00 0.00 0.00 56.30 55.85 1x0h h ASN 93 Cb 0.58 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.59 1x0h h ASN 93 CO 0.04 1.00 -1.80 0.18 -0.00 0.00 0.00 177.43 176.85 1x0h n LEU 94 N -4.23 0.56 -0.20 0.34 4.77 -1.07 -3.79 117.00 113.40 1x0h n LEU 94 Ca 0.05 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 1x0h n LEU 94 Cb 0.27 0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1x0h n LEU 94 CO 0.42 0.29 1.05 0.25 -1.33 0.00 0.00 177.39 178.08 1x0h h LEU 95 N 0.00 0.45 -0.31 2.23 5.85 0.90 -0.50 115.31 123.92 1x0h h LEU 95 Ca -0.29 0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.27 1x0h h LEU 95 Cb 1.83 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1x0h h LEU 95 CO 0.05 0.30 -0.67 0.40 -0.34 0.00 0.00 178.44 178.18 1x0h h ILE 96 N 0.58 1.30 -0.55 4.05 2.04 -1.69 -2.64 117.51 120.61 1x0h h ILE 96 Ca 0.26 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1x0h h ILE 96 Cb 0.16 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1x0h h ILE 96 CO -0.17 0.60 0.32 0.15 0.00 0.00 0.00 178.15 179.05 1x0h h PHE 97 N 0.50 0.72 -0.12 1.37 3.57 -1.53 0.64 116.94 122.09 1x0h h PHE 97 Ca -0.02 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1x0h h PHE 97 Cb 1.27 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.77 1x0h h PHE 97 CO 0.07 0.50 -0.51 1.25 -2.23 0.00 0.00 178.31 177.38 1x0h h LEU 98 N 0.76 0.67 -0.61 0.59 5.85 -1.05 -3.22 115.31 118.29 1x0h h LEU 98 Ca 0.20 -0.63 -0.15 0.00 0.84 0.00 0.00 57.88 58.15 1x0h h LEU 98 Cb -0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1x0h h LEU 98 CO -0.04 1.18 -0.69 -0.07 -0.34 0.00 0.00 178.44 178.49 1x0h h LEU 99 N 0.19 0.02 -2.18 2.25 3.38 -1.09 0.27 115.31 118.16 1x0h h LEU 99 Ca -0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1x0h h LEU 99 Cb 1.15 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1x0h h LEU 99 CO 0.11 0.71 0.04 -1.13 0.09 0.00 0.00 178.44 178.26 1x0h h ASN 100 N 0.01 0.00 0.00 -0.43 -0.73 0.27 0.47 115.58 115.17 1x0h h ASN 100 Ca -0.01 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.96 1x0h h ASN 100 Cb 1.22 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.78 1x0h h ASN 100 CO 0.09 0.00 -1.74 1.17 -0.37 0.00 0.00 177.43 176.58 1x0h n LYS 101 N -4.24 2.06 0.00 6.67 4.81 -1.16 -4.16 118.16 122.15 1x0h n LYS 101 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1x0h n LYS 101 Cb 0.14 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x0h n LYS 102 N -2.45 0.00 -0.02 1.64 4.76 0.94 -4.38 118.16 118.65 1x0h n LYS 102 Ca -0.18 0.22 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 1x0h n LYS 102 Cb 0.84 -1.00 -0.08 0.00 -1.84 0.00 0.00 35.03 32.95 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 -0.07 -0.11 2.13 -1.00 -1.62 -3.38 116.94 112.89 1x0h h PHE 103 Ca 0.00 -0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1x0h h PHE 103 Cb 0.00 0.02 0.04 0.00 3.61 0.00 0.00 35.95 39.63 1x0h h PHE 103 CO 0.06 0.48 1.85 0.66 -1.61 0.00 0.00 178.31 179.74 1x0h n TYR 104 N -4.77 1.80 -2.58 -0.55 4.01 0.10 -3.87 117.16 111.29 1x0h n TYR 104 Ca -0.07 -1.52 -0.02 0.00 -0.16 0.00 0.00 57.90 56.13 1x0h n TYR 104 Cb 0.28 -1.81 0.01 0.00 -0.31 0.00 0.00 39.34 37.51 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 4.91 -0.59 3.94 2.72 0.00 -1.26 -4.11 105.19 110.80 1x0h n GLY 105 Ca 0.48 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 1x0h n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x0h s LYS 106 N 0.03 3.43 0.00 1.61 0.00 -1.25 -4.70 119.74 118.86 1x0h s LYS 106 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 55.97 55.41 1x0h s LYS 106 Cb 0.07 -2.97 0.00 0.00 0.00 0.00 0.00 37.83 34.93 1x0h s LYS 106 CO -0.02 0.53 0.00 0.45 0.00 0.00 0.00 175.35 176.31 1x0h n SER 107 N -0.44 0.00 0.00 0.03 2.88 -1.26 -4.43 113.62 110.40 1x0h n SER 107 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1x0h n SER 107 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x0h n GLY 108 N 0.00 0.77 3.72 0.46 0.00 -1.26 -5.07 105.19 103.81 1x0h n GLY 108 Ca 0.00 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1x0h n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x0h n PRO 109 N 0.00 2.68 -4.42 1.61 -0.02 -1.26 -5.00 135.00 128.59 1x0h n PRO 109 Ca 0.00 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 62.12 1x0h n PRO 109 Cb 0.00 -2.78 -0.16 0.00 -0.02 0.00 0.00 33.50 30.53 1x0h n PRO 109 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1x0h s SER 110 N 0.97 3.05 -0.21 2.55 0.01 -1.26 -5.01 113.70 113.81 1x0h s SER 110 Ca 0.73 -0.60 -0.12 0.00 1.31 0.00 0.00 55.95 57.27 1x0h s SER 110 Cb -0.53 -1.42 -0.19 0.00 0.21 0.00 0.00 66.02 64.09 1x0h s SER 110 CO 0.37 0.04 0.05 -1.20 0.41 0.00 0.00 173.24 172.91 1x0h n SER 111 N 4.32 1.98 -0.74 2.44 7.64 -1.26 -5.35 113.62 122.64 1x0h n SER 111 Ca -0.20 0.25 0.09 0.00 1.01 0.00 0.00 58.87 60.02 1x0h n SER 111 Cb 0.51 -0.81 0.08 0.00 -1.01 0.00 0.00 64.21 62.98 1x0h n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64