#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h s SER 2 N 0.00 6.82 0.15 1.61 0.01 -1.26 -4.85 113.70 116.19 1x0h s SER 2 Ca 0.00 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.88 1x0h s SER 2 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1x0h s SER 2 CO 0.00 -0.51 0.00 -0.24 0.41 0.00 0.00 173.24 172.90 1x0h n SER 3 N 1.16 -1.12 0.00 2.44 2.88 -1.26 -5.12 113.62 112.60 1x0h n SER 3 Ca 0.01 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1x0h n SER 3 Cb 0.42 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 65.16 1x0h n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x0h n GLY 4 N -0.60 0.27 3.50 0.46 0.00 -1.26 -5.16 105.19 102.39 1x0h n GLY 4 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1x0h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x0h s SER 5 N -0.57 -0.43 -0.46 1.61 0.01 -1.26 -5.04 113.70 107.56 1x0h s SER 5 Ca 0.00 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.39 1x0h s SER 5 Cb 0.00 0.43 0.60 0.00 0.21 0.00 0.00 66.02 67.26 1x0h s SER 5 CO 0.00 -0.65 1.90 -0.24 0.41 0.00 0.00 173.24 174.66 1x0h n SER 6 N -0.06 4.36 -0.28 2.44 2.88 -1.26 -4.95 113.62 116.76 1x0h n SER 6 Ca -0.11 -3.56 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 1x0h n SER 6 Cb 0.62 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1x0h n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x0h n GLY 7 N -1.02 3.04 3.54 0.46 0.00 -1.26 -5.18 105.19 104.78 1x0h n GLY 7 Ca 0.57 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.75 -0.00 0.24 -0.61 -4.36 -1.26 -5.17 121.20 107.28 1x0h s ILE 8 Ca 0.00 0.02 0.08 0.00 -0.26 0.00 0.00 60.65 60.48 1x0h s ILE 8 Cb 0.00 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 1x0h s ILE 8 CO 0.00 0.01 0.11 -0.55 0.24 0.00 0.00 174.94 174.74 1x0h s SER 9 N 1.09 5.15 -0.35 4.36 0.15 -1.26 -4.36 113.70 118.48 1x0h s SER 9 Ca -0.06 -0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 1x0h s SER 9 Cb -0.05 -1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1x0h s SER 9 CO -0.11 0.00 0.22 -0.76 1.20 0.00 0.00 173.24 173.80 1x0h s LEU 10 N -3.59 4.54 -0.35 3.45 1.43 0.57 -4.98 118.68 119.75 1x0h s LEU 10 Ca 0.31 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1x0h s LEU 10 Cb -0.08 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1x0h s LEU 10 CO 0.22 -0.28 0.13 -0.54 0.23 0.00 0.00 176.35 176.12 1x0h s LYS 11 N 1.67 2.66 0.07 1.70 1.02 -1.26 -0.65 119.74 124.94 1x0h s LYS 11 Ca 0.05 -1.16 0.05 0.00 0.02 0.00 0.00 55.97 54.93 1x0h s LYS 11 Cb -0.18 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1x0h s LYS 11 CO 0.09 -0.68 -0.15 0.71 -0.92 0.00 0.00 175.35 174.41 1x0h s TYR 12 N 1.43 1.27 0.25 3.18 2.02 -0.45 -5.01 117.35 120.05 1x0h s TYR 12 Ca -0.01 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1x0h s TYR 12 Cb -0.19 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1x0h s TYR 12 CO 0.04 0.06 0.38 0.95 -1.57 0.00 0.00 175.55 175.41 1x0h s THR 13 N -1.15 5.24 0.37 -0.71 -4.23 -1.26 0.62 115.64 114.51 1x0h s THR 13 Ca -0.00 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1x0h s THR 13 Cb -0.09 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 70.13 1x0h s THR 13 CO 0.02 -0.36 2.00 0.00 -0.54 0.00 0.00 174.62 175.75 1x0h h ALA 14 N 1.13 1.56 -0.59 3.99 0.00 -1.34 -1.83 119.26 122.19 1x0h h ALA 14 Ca -0.52 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1x0h h ALA 14 Cb 1.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1x0h h ALA 14 CO 0.61 0.38 0.39 0.00 0.00 0.00 0.00 179.25 180.63 1x0h h ALA 15 N 1.63 1.63 0.10 0.00 0.00 -1.82 0.53 119.26 121.33 1x0h h ALA 15 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x0h h ALA 15 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1x0h h ALA 15 CO -0.03 0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 1x0h h ARG 16 N 0.75 -0.13 -0.23 0.00 2.47 -1.69 -2.50 114.38 113.05 1x0h h ARG 16 Ca 0.23 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1x0h h ARG 16 Cb -0.01 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1x0h h ARG 16 CO -0.06 0.39 0.16 -0.07 0.56 0.00 0.00 179.97 180.95 1x0h h LEU 17 N -0.79 0.17 0.16 3.04 3.38 -1.27 -0.52 115.31 119.48 1x0h h LEU 17 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x0h h LEU 17 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1x0h h LEU 17 CO 0.02 0.12 -0.08 -0.74 0.09 0.00 0.00 178.44 177.85 1x0h h HIS 18 N 0.19 -0.20 -0.09 1.13 2.76 -0.92 0.64 115.15 118.67 1x0h h HIS 18 Ca 0.10 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1x0h h HIS 18 Cb 0.15 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1x0h h HIS 18 CO -0.00 0.20 -0.04 0.93 -1.30 0.00 0.00 177.93 177.72 1x0h h GLU 19 N -0.69 0.12 -0.03 5.26 4.39 -1.09 -2.09 114.58 120.44 1x0h h GLU 19 Ca -0.02 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.46 1x0h h GLU 19 Cb 0.50 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1x0h h GLU 19 CO 0.04 0.18 -0.82 0.87 -1.16 0.00 0.00 179.01 178.12 1x0h h LYS 20 N 0.12 0.34 0.00 2.33 1.57 -1.06 -3.48 116.57 116.39 1x0h h LYS 20 Ca 0.03 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1x0h h LYS 20 Cb 0.16 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1x0h h LYS 20 CO 0.01 0.99 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 1x0h n GLY 21 N 0.73 2.06 0.11 3.86 0.00 -0.42 -5.02 105.19 106.50 1x0h n GLY 21 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.37 1.61 2.07 -1.17 -3.42 116.25 111.96 1x0h h VAL 22 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 1x0h h VAL 22 Cb 0.00 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1x0h h VAL 22 CO 0.00 0.00 0.53 -0.22 0.02 0.00 0.00 177.57 177.90 1x0h s LEU 23 N -5.49 4.42 0.00 2.57 2.96 -0.44 -0.66 118.68 122.05 1x0h s LEU 23 Ca -0.04 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1x0h s LEU 23 Cb 0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1x0h s LEU 23 CO 0.12 -0.37 0.00 0.18 -1.32 0.00 0.00 176.35 174.96 1x0h n LEU 24 N 3.14 0.02 0.00 -0.68 4.77 -0.71 -4.06 117.00 119.49 1x0h n LEU 24 Ca 0.06 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 1x0h n LEU 24 Cb 0.46 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1x0h n LEU 24 CO 0.55 -0.49 0.27 -0.62 -1.33 0.00 0.00 177.39 175.77 1x0h n GLU 25 N -2.34 0.84 -3.82 3.23 1.02 -1.20 -5.01 120.64 113.35 1x0h n GLU 25 Ca 0.00 -2.72 -0.13 0.00 -0.02 0.00 0.00 57.16 54.29 1x0h n GLU 25 Cb 0.00 2.79 -0.14 0.00 -0.02 0.00 0.00 31.44 34.07 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 -2.64 -0.02 -0.78 -3.67 1.01 -1.26 -0.12 121.20 113.72 1x0h s ILE 26 Ca 0.26 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 1x0h s ILE 26 Cb -0.02 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.33 1x0h s ILE 26 CO 0.19 0.03 2.84 -0.62 0.00 0.00 0.00 174.94 177.38 1x0h n GLU 27 N 3.40 3.16 0.02 2.79 -0.58 -0.96 -4.14 120.64 124.32 1x0h n GLU 27 Ca -0.17 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1x0h n GLU 27 Cb 0.57 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 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 1.77 -0.33 -4.82 1.62 2.03 -1.26 -4.91 116.55 110.66 1x0h n ASP 28 Ca 0.56 0.44 -0.37 0.00 0.52 0.00 0.00 54.79 55.93 1x0h n ASP 28 Cb 0.49 0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 41.51 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 -5.71 4.43 0.82 -2.67 2.01 -1.26 -5.08 118.68 111.23 1x0h s LEU 29 Ca 0.00 1.32 -0.12 0.00 0.01 0.00 0.00 54.13 55.34 1x0h s LEU 29 Cb 0.00 -3.27 0.10 0.00 0.01 0.00 0.00 46.19 43.03 1x0h s LEU 29 CO 0.00 0.14 1.18 -1.10 1.01 0.00 0.00 176.35 177.59 1x0h s GLN 30 N -1.62 1.74 0.21 1.70 -0.21 -1.26 -4.45 119.66 115.77 1x0h s GLN 30 Ca 0.37 -0.05 -0.10 0.00 0.02 0.00 0.00 55.36 55.60 1x0h s GLN 30 Cb -0.18 -1.96 0.21 0.00 1.00 0.00 0.00 33.01 32.08 1x0h s GLN 30 CO 0.21 -1.71 1.82 0.28 -2.12 0.00 0.00 175.29 173.77 1x0h h VAL 31 N -1.11 1.01 0.00 1.09 2.07 -1.98 -1.36 116.25 115.97 1x0h h VAL 31 Ca -0.45 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1x0h h VAL 31 Cb 1.31 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1x0h h VAL 31 CO 0.60 0.13 -0.37 -0.55 0.02 0.00 0.00 177.57 177.40 1x0h h ASN 32 N 0.71 0.00 0.79 0.57 -1.07 -2.04 -2.82 115.58 111.72 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 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 1x0h h ASN 32 CO -0.16 0.37 0.00 0.00 0.07 0.00 0.00 177.43 177.71 1x0h n GLN 33 N -3.46 0.00 -0.18 4.14 1.13 -0.56 -3.46 117.38 115.00 1x0h n GLN 33 Ca 0.00 0.11 0.18 0.00 -1.94 0.00 0.00 57.00 55.35 1x0h n GLN 33 Cb 0.53 -1.50 0.54 0.00 0.11 0.00 0.00 30.24 29.92 1x0h n GLN 33 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1x0h h PHE 34 N 0.00 0.43 -0.10 1.08 -1.00 -1.17 0.17 116.94 116.35 1x0h h PHE 34 Ca 0.00 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1x0h h PHE 34 Cb 0.39 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 1x0h h PHE 34 CO 0.00 0.14 0.07 0.87 -1.61 0.00 0.00 178.31 177.78 1x0h h LYS 35 N 0.35 0.07 0.19 1.51 1.79 -1.80 -2.71 116.57 115.97 1x0h h LYS 35 Ca 0.40 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 1x0h h LYS 35 Cb 1.02 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1x0h h LYS 35 CO -0.12 0.05 -0.09 -0.91 -1.08 0.00 0.00 179.45 177.30 1x0h h ASN 36 N 0.07 -0.21 -3.46 0.86 2.35 -0.91 -3.44 115.58 110.84 1x0h h ASN 36 Ca 0.04 -0.29 -0.53 0.00 -0.55 0.00 0.00 56.30 54.97 1x0h h ASN 36 Cb 0.08 0.06 0.09 0.00 0.05 0.00 0.00 38.32 38.60 1x0h h ASN 36 CO -0.01 0.22 0.87 -0.69 -1.65 0.00 0.00 177.43 176.17 1x0h s VAL 37 N -4.29 2.05 -0.13 2.81 1.01 -1.03 -4.98 120.40 115.84 1x0h s VAL 37 Ca -0.14 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1x0h s VAL 37 Cb 0.02 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1x0h s VAL 37 CO 0.56 0.01 0.05 -0.51 0.00 0.00 0.00 175.10 175.21 1x0h s ILE 38 N -0.24 0.19 -0.05 2.22 2.07 -1.26 -2.31 121.20 121.81 1x0h s ILE 38 Ca 0.61 -0.10 -0.22 0.00 -1.41 0.00 0.00 60.65 59.53 1x0h s ILE 38 Cb -0.48 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 1x0h s ILE 38 CO 0.51 -0.05 0.65 -0.36 -1.91 0.00 0.00 174.94 173.78 1x0h s PHE 39 N 2.03 3.60 -0.29 3.50 0.40 0.20 -2.32 117.98 125.10 1x0h s PHE 39 Ca 0.02 1.20 -0.00 0.00 -0.60 0.00 0.00 56.93 57.55 1x0h s PHE 39 Cb -0.15 -2.73 0.06 0.00 0.51 0.00 0.00 43.02 40.71 1x0h s PHE 39 CO -0.07 0.17 -0.03 -2.00 0.70 0.00 0.00 175.22 173.99 1x0h s GLU 40 N 0.49 2.34 -0.26 0.44 -6.30 -0.48 -1.34 118.70 113.60 1x0h s GLU 40 Ca 0.34 -1.31 -0.09 0.00 -2.50 0.00 0.00 54.97 51.41 1x0h s GLU 40 Cb -0.18 -3.10 -0.04 0.00 0.00 0.00 0.00 34.13 30.82 1x0h s GLU 40 CO 0.17 -0.62 0.11 0.42 0.02 0.00 0.00 175.26 175.36 1x0h s ILE 41 N 1.20 4.63 -0.37 -3.70 1.01 0.17 -1.94 121.20 122.20 1x0h s ILE 41 Ca -0.06 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 1x0h s ILE 41 Cb -0.20 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 1x0h s ILE 41 CO -0.03 0.31 0.30 -0.44 0.00 0.00 0.00 174.94 175.09 1x0h s SER 42 N 1.66 6.11 -0.04 3.58 0.01 -0.63 -0.32 113.70 124.08 1x0h s SER 42 Ca 0.07 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1x0h s SER 42 Cb -0.15 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1x0h s SER 42 CO 0.06 -0.35 1.55 -2.16 0.41 0.00 0.00 173.24 172.75 1x0h s PRO 43 N 1.82 4.21 0.66 12.44 0.04 -1.26 -3.69 135.00 149.22 1x0h s PRO 43 Ca 0.08 2.09 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1x0h s PRO 43 Cb -0.18 -3.81 0.07 0.00 0.04 0.00 0.00 34.50 30.62 1x0h s PRO 43 CO 0.11 -0.75 0.93 0.95 0.04 0.00 0.00 177.00 178.28 1x0h s THR 44 N 3.40 2.39 0.07 1.26 -4.23 -1.26 -4.97 115.64 112.31 1x0h s THR 44 Ca 0.69 -0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.61 1x0h s THR 44 Cb -0.32 -2.94 -0.23 0.00 1.34 0.00 0.00 72.50 70.35 1x0h s THR 44 CO 0.27 0.00 1.20 -0.08 -0.54 0.00 0.00 174.62 175.47 1x0h h GLU 45 N -0.38 0.70 -6.86 3.99 4.81 -1.95 -3.45 114.58 111.44 1x0h h GLU 45 Ca -0.42 -0.74 -0.47 0.00 -0.13 0.00 0.00 59.36 57.60 1x0h h GLU 45 Cb 1.30 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 1x0h h GLU 45 CO 0.54 1.31 0.22 -2.00 -0.73 0.00 0.00 179.01 178.36 1x0h s GLU 46 N -3.36 4.20 0.41 1.92 2.56 -1.26 -5.06 118.70 118.12 1x0h s GLU 46 Ca -0.10 0.95 -0.17 0.00 0.00 0.00 0.00 54.97 55.66 1x0h s GLU 46 Cb 0.07 -2.44 -0.09 0.00 2.00 0.00 0.00 34.13 33.67 1x0h s GLU 46 CO 0.92 0.13 0.87 0.54 -0.56 0.00 0.00 175.26 177.16 1x0h s VAL 47 N -1.96 4.56 0.00 3.70 0.11 -1.26 -4.17 120.40 121.39 1x0h s VAL 47 Ca 0.55 1.15 0.00 0.00 -2.93 0.00 0.00 61.98 60.75 1x0h s VAL 47 Cb -0.12 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1x0h s VAL 47 CO 0.17 -0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 1x0h n GLY 48 N -0.86 2.29 3.70 6.54 0.00 -1.26 -4.98 105.19 110.61 1x0h n GLY 48 Ca 0.05 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 6.95 0.20 1.61 1.01 -1.26 -4.02 116.67 121.16 1x0h s ASP 49 Ca 0.00 2.07 0.05 0.00 0.71 0.00 0.00 52.55 55.38 1x0h s ASP 49 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1x0h s ASP 49 CO 0.00 -0.61 -0.08 -0.36 0.21 0.00 0.00 175.17 174.33 1x0h s PHE 50 N 1.72 1.52 -0.33 4.23 0.08 -1.20 -4.50 117.98 119.50 1x0h s PHE 50 Ca 0.61 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.93 1x0h s PHE 50 Cb -0.31 -0.79 0.10 0.00 -0.57 0.00 0.00 43.02 41.45 1x0h s PHE 50 CO 0.27 0.14 0.08 -2.00 -0.10 0.00 0.00 175.22 173.61 1x0h s GLU 51 N -3.75 1.09 -0.13 0.44 2.12 -1.24 -2.91 118.70 114.32 1x0h s GLU 51 Ca 0.22 -1.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.01 1x0h s GLU 51 Cb 0.03 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1x0h s GLU 51 CO 0.05 -0.97 0.12 0.08 -0.54 0.00 0.00 175.26 174.01 1x0h s VAL 52 N 1.26 5.34 0.09 3.70 1.01 0.50 -1.61 120.40 130.69 1x0h s VAL 52 Ca 0.10 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1x0h s VAL 52 Cb -0.18 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1x0h s VAL 52 CO -0.17 0.58 0.05 -0.75 0.00 0.00 0.00 175.10 174.82 1x0h s LYS 53 N -0.73 0.77 -0.31 2.72 2.20 -0.82 -2.00 119.74 121.57 1x0h s LYS 53 Ca 0.13 -1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 54.50 1x0h s LYS 53 Cb -0.12 0.25 0.10 0.00 -1.51 0.00 0.00 37.83 36.56 1x0h s LYS 53 CO 0.03 -0.20 0.10 0.00 -0.36 0.00 0.00 175.35 174.92 1x0h s ALA 54 N -3.95 1.51 -0.38 3.13 0.00 -1.26 -1.38 121.76 119.42 1x0h s ALA 54 Ca 0.12 -1.66 -0.27 0.00 0.00 0.00 0.00 51.96 50.15 1x0h s ALA 54 Cb 0.07 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1x0h s ALA 54 CO -0.06 -1.67 2.05 0.21 0.00 0.00 0.00 175.76 176.29 1x0h s LYS 55 N 1.63 2.90 0.08 0.00 2.20 -0.98 -4.17 119.74 121.40 1x0h s LYS 55 Ca 0.10 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1x0h s LYS 55 Cb -0.17 -4.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.79 1x0h s LYS 55 CO -0.26 -2.38 0.00 0.34 -0.36 0.00 0.00 175.35 172.70 1x0h n PHE 56 N 12.28 -2.16 -3.34 4.03 7.35 -1.26 -4.30 117.46 130.06 1x0h n PHE 56 Ca 0.27 0.28 -0.25 0.00 -0.76 0.00 0.00 57.45 57.00 1x0h n PHE 56 Cb 0.49 0.97 -0.09 0.00 0.35 0.00 0.00 39.48 41.20 1x0h n PHE 56 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1x0h s MET 57 N -1.59 0.89 -0.63 -4.13 -1.94 -1.26 -5.09 119.30 105.55 1x0h s MET 57 Ca 0.00 -1.96 -0.22 0.00 -1.71 0.00 0.00 55.69 51.80 1x0h s MET 57 Cb 0.00 -1.28 0.07 0.00 2.01 0.00 0.00 34.83 35.64 1x0h s MET 57 CO 0.00 -1.37 0.90 0.20 -0.01 0.00 0.00 175.02 174.74 1x0h s GLY 58 N 0.21 1.46 -0.18 -0.03 0.00 -1.26 -4.83 107.32 102.68 1x0h s GLY 58 Ca 0.32 -1.82 0.14 0.00 0.00 0.00 0.00 44.72 43.36 1x0h s GLY 58 CO -0.17 1.95 1.20 3.33 0.00 0.00 0.00 173.10 179.41 1x0h n VAL 59 N 5.88 1.73 -4.26 1.40 0.24 -1.26 -5.06 118.33 117.00 1x0h n VAL 59 Ca -0.04 -2.90 -0.16 0.00 -2.04 0.00 0.00 64.34 59.20 1x0h n VAL 59 Cb 0.45 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.70 1x0h n VAL 59 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1x0h s GLN 60 N -2.63 1.44 0.15 7.34 0.74 -1.26 -5.17 119.66 120.26 1x0h s GLN 60 Ca 0.38 -1.80 0.03 0.00 0.05 0.00 0.00 55.36 54.03 1x0h s GLN 60 Cb 0.38 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.59 1x0h s GLN 60 CO -0.07 -0.45 0.25 0.00 -0.55 0.00 0.00 175.29 174.47 1x0h s MET 61 N -3.91 3.34 0.62 1.67 0.23 -1.26 -4.99 119.30 115.00 1x0h s MET 61 Ca 0.38 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 1x0h s MET 61 Cb 0.06 -2.91 0.00 0.00 -1.53 0.00 0.00 34.83 30.45 1x0h s MET 61 CO 0.17 0.52 0.00 -1.91 -2.03 0.00 0.00 175.02 171.77 1x0h n GLU 62 N -0.47 -3.64 -3.38 3.16 2.13 -1.26 -4.95 120.64 112.22 1x0h n GLU 62 Ca -0.07 2.92 -0.21 0.00 0.66 0.00 0.00 57.16 60.46 1x0h n GLU 62 Cb 0.54 -3.95 -0.00 0.00 0.27 0.00 0.00 31.44 28.29 1x0h n GLU 62 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x0h s THR 63 N -4.74 4.45 -0.29 6.31 2.01 -1.26 -5.03 115.64 117.08 1x0h s THR 63 Ca 0.00 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1x0h s THR 63 Cb 0.00 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1x0h s THR 63 CO 0.00 -0.32 1.61 0.12 -0.69 0.00 0.00 174.62 175.34 1x0h s PHE 64 N -2.29 2.12 -0.39 4.92 2.19 -0.85 -4.90 117.98 118.78 1x0h s PHE 64 Ca 0.43 0.61 -0.21 0.00 0.33 0.00 0.00 56.93 58.09 1x0h s PHE 64 Cb -0.10 -4.08 0.01 0.00 -1.31 0.00 0.00 43.02 37.55 1x0h s PHE 64 CO 0.34 -2.68 0.68 1.41 1.83 0.00 0.00 175.22 176.80 1x0h s MET 65 N 4.96 3.54 -0.36 10.12 -2.45 -1.26 -0.37 119.30 133.47 1x0h s MET 65 Ca 0.71 -0.05 -0.17 0.00 -1.25 0.00 0.00 55.69 54.93 1x0h s MET 65 Cb -0.22 -3.87 -0.00 0.00 1.25 0.00 0.00 34.83 32.00 1x0h s MET 65 CO 0.31 -0.89 0.46 -1.17 1.05 0.00 0.00 175.02 174.78 1x0h s LEU 66 N 2.89 4.47 0.20 4.11 2.96 -1.15 -4.95 118.68 127.22 1x0h s LEU 66 Ca 0.26 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1x0h s LEU 66 Cb -0.14 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.00 1x0h s LEU 66 CO 0.18 -0.47 0.50 -2.28 -1.32 0.00 0.00 176.35 172.95 1x0h s HIS 67 N 2.26 3.45 0.22 5.38 2.46 -1.26 -3.22 115.29 124.57 1x0h s HIS 67 Ca 0.16 0.79 0.06 0.00 0.47 0.00 0.00 55.06 56.53 1x0h s HIS 67 Cb -0.16 -2.19 0.18 0.00 -0.13 0.00 0.00 32.58 30.29 1x0h s HIS 67 CO 0.13 0.33 1.51 -0.92 -2.47 0.00 0.00 174.74 173.32 1x0h h TYR 68 N 2.69 0.18 -0.17 3.88 5.03 -1.98 -3.09 116.97 123.52 1x0h h TYR 68 Ca -0.47 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 60.76 1x0h h TYR 68 Cb 1.17 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 1x0h h TYR 68 CO 0.62 0.79 0.09 0.37 -1.32 0.00 0.00 178.16 178.71 1x0h h GLN 69 N 0.09 0.22 -0.07 1.82 -0.00 -1.94 -1.65 115.11 113.58 1x0h h GLN 69 Ca -0.02 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.65 58.44 1x0h h GLN 69 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.68 1x0h h GLN 69 CO 0.10 0.17 -0.71 0.22 0.00 0.00 0.00 178.83 178.61 1x0h h ASP 70 N 0.23 0.43 -0.27 -0.69 1.82 -1.96 -1.98 116.42 114.01 1x0h h ASP 70 Ca 0.06 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.39 1x0h h ASP 70 Cb 0.02 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1x0h h ASP 70 CO -0.01 1.01 0.07 -0.07 -1.61 0.00 0.00 179.24 178.63 1x0h h LEU 71 N 0.25 0.41 -0.87 2.28 3.38 -1.34 -2.86 115.31 116.55 1x0h h LEU 71 Ca -0.03 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1x0h h LEU 71 Cb 1.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1x0h h LEU 71 CO 0.12 0.52 -0.56 -0.07 0.09 0.00 0.00 178.44 178.54 1x0h h LEU 72 N 0.27 0.00 -1.91 1.67 3.38 -1.48 -2.84 115.31 114.39 1x0h h LEU 72 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1x0h h LEU 72 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1x0h h LEU 72 CO -0.00 0.56 0.16 -0.61 0.09 0.00 0.00 178.44 178.65 1x0h h GLN 73 N 0.00 0.11 0.11 1.13 -0.00 -1.13 0.29 115.11 115.63 1x0h h GLN 73 Ca -0.01 -0.01 -0.32 0.00 -0.00 0.00 0.00 58.65 58.32 1x0h h GLN 73 Cb 1.00 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 1x0h h GLN 73 CO 0.07 0.07 -1.67 -0.07 0.00 0.00 0.00 178.83 177.24 1x0h h LEU 74 N 0.11 0.36 -0.87 -2.39 3.38 -1.42 -3.23 115.31 111.25 1x0h h LEU 74 Ca 0.11 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 1x0h h LEU 74 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1x0h h LEU 74 CO -0.01 1.50 -0.53 -0.61 0.09 0.00 0.00 178.44 178.87 1x0h h GLN 75 N 0.06 0.07 -0.26 1.13 4.15 -1.15 -0.33 115.11 118.79 1x0h h GLN 75 Ca -0.29 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 58.90 1x0h h GLN 75 Cb 2.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.72 1x0h h GLN 75 CO 0.14 0.59 -0.55 -0.92 -1.93 0.00 0.00 178.83 176.16 1x0h h TYR 76 N 0.06 0.98 0.00 3.99 3.20 -0.57 -3.37 116.97 121.26 1x0h h TYR 76 Ca -0.00 -0.35 -0.00 0.00 3.14 0.00 0.00 58.73 61.52 1x0h h TYR 76 Cb 0.96 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1x0h h TYR 76 CO 0.01 1.15 -0.00 0.93 -1.64 0.00 0.00 178.16 178.60 1x0h h GLU 77 N 0.60 -0.00 0.00 1.82 5.08 -1.55 -3.49 114.58 117.03 1x0h h GLU 77 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x0h h GLU 77 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 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 1.71 0.00 3.02 -3.84 0.00 -0.45 -5.11 105.19 100.52 1x0h n GLY 78 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.53 -0.60 1.61 1.01 -0.26 -4.94 120.40 119.75 1x0h s VAL 79 Ca 0.00 -2.52 0.25 0.00 0.00 0.00 0.00 61.98 59.72 1x0h s VAL 79 Cb 0.00 -2.81 0.28 0.00 0.00 0.00 0.00 36.38 33.84 1x0h s VAL 79 CO 0.00 -0.66 1.75 0.00 0.00 0.00 0.00 175.10 176.19 1x0h h ALA 80 N 7.44 1.00 -3.51 5.51 0.00 -1.95 -3.41 119.26 124.33 1x0h h ALA 80 Ca -0.06 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 1x0h h ALA 80 Cb 1.00 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.56 1x0h h ALA 80 CO 0.58 0.00 -0.73 0.08 0.00 0.00 0.00 179.25 179.19 1x0h s VAL 81 N -3.21 3.41 0.25 0.00 1.01 -1.26 -1.82 120.40 118.77 1x0h s VAL 81 Ca 0.08 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1x0h s VAL 81 Cb 0.11 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1x0h s VAL 81 CO 0.52 0.54 0.06 -0.32 0.00 0.00 0.00 175.10 175.91 1x0h s MET 82 N -0.09 2.53 -0.39 2.72 1.75 0.75 -4.92 119.30 121.65 1x0h s MET 82 Ca -0.00 -1.25 -0.02 0.00 -1.25 0.00 0.00 55.69 53.17 1x0h s MET 82 Cb -0.13 -2.33 0.10 0.00 2.84 0.00 0.00 34.83 35.31 1x0h s MET 82 CO 0.03 0.39 0.16 0.21 -0.65 0.00 0.00 175.02 175.16 1x0h s LYS 83 N -3.63 1.96 -0.15 4.11 2.47 -1.26 -2.78 119.74 120.45 1x0h s LYS 83 Ca 0.31 -1.77 -0.06 0.00 -1.56 0.00 0.00 55.97 52.89 1x0h s LYS 83 Cb -0.07 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 1x0h s LYS 83 CO 0.21 -1.00 0.06 -0.51 0.16 0.00 0.00 175.35 174.27 1x0h s LEU 84 N 1.11 3.88 -2.13 5.43 1.43 0.14 -4.33 118.68 124.21 1x0h s LEU 84 Ca 0.07 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1x0h s LEU 84 Cb -0.22 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1x0h s LEU 84 CO -0.05 0.26 0.00 0.49 0.23 0.00 0.00 176.35 177.28 1x0h n PHE 85 N 2.96 0.00 -1.60 0.29 3.72 -1.26 -1.24 117.46 120.33 1x0h n PHE 85 Ca -0.18 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.04 1x0h n PHE 85 Cb 0.53 -3.37 -0.07 0.00 -0.94 0.00 0.00 39.48 35.63 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 -1.24 -4.89 0.03 4.37 8.00 -1.26 -4.60 116.55 116.95 1x0h n ASP 86 Ca -0.20 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1x0h n ASP 86 Cb 0.66 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 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 -2.27 0.00 -1.78 -1.24 1.74 -0.72 -4.98 116.66 107.41 1x0h n ARG 87 Ca -0.19 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.53 1x0h n ARG 87 Cb 0.61 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.11 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 -1.80 2.39 -0.04 7.54 0.00 -0.37 -2.27 121.76 127.20 1x0h s ALA 88 Ca 0.00 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.14 1x0h s ALA 88 Cb 0.00 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1x0h s ALA 88 CO 0.00 -1.52 -0.15 0.15 0.00 0.00 0.00 175.76 174.23 1x0h s LYS 89 N -3.42 1.64 0.18 0.00 1.02 0.82 -0.69 119.74 119.30 1x0h s LYS 89 Ca 0.81 -0.54 0.08 0.00 0.02 0.00 0.00 55.97 56.34 1x0h s LYS 89 Cb -0.35 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 1x0h s LYS 89 CO 0.39 0.20 -0.15 0.08 -0.92 0.00 0.00 175.35 174.94 1x0h s VAL 90 N 0.14 1.68 -0.22 3.17 1.01 -1.12 -1.73 120.40 123.34 1x0h s VAL 90 Ca -0.05 -2.06 -0.20 0.00 0.00 0.00 0.00 61.98 59.67 1x0h s VAL 90 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1x0h s VAL 90 CO 0.02 -0.50 0.58 0.21 0.00 0.00 0.00 175.10 175.40 1x0h s ASN 91 N -3.02 6.59 0.45 3.32 2.47 0.17 -0.17 114.94 124.75 1x0h s ASN 91 Ca 0.19 0.72 0.25 0.00 0.42 0.00 0.00 52.86 54.43 1x0h s ASN 91 Cb -0.03 -2.32 0.97 0.00 -1.45 0.00 0.00 41.25 38.43 1x0h s ASN 91 CO 0.06 -0.26 1.85 0.58 -3.72 0.00 0.00 177.10 175.61 1x0h h VAL 92 N 5.22 0.53 0.00 -5.21 2.07 -1.63 0.87 116.25 118.10 1x0h h VAL 92 Ca -0.31 -1.06 -0.20 0.00 0.82 0.00 0.00 66.70 65.95 1x0h h VAL 92 Cb 1.14 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1x0h h VAL 92 CO 0.75 0.21 -0.94 0.78 0.02 0.00 0.00 177.57 178.39 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 4.21 -1.91 -3.23 115.58 115.22 1x0h h ASN 93 Ca -0.00 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.15 1x0h h ASN 93 Cb 0.71 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.84 1x0h h ASN 93 CO 0.03 0.94 -2.36 0.18 -1.29 0.00 0.00 177.43 174.92 1x0h n LEU 94 N -3.41 0.16 -0.28 1.61 4.77 -1.10 -3.97 117.00 114.77 1x0h n LEU 94 Ca -0.00 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1x0h n LEU 94 Cb 0.89 0.42 0.08 0.00 -2.33 0.00 0.00 43.42 42.48 1x0h n LEU 94 CO 0.46 0.51 1.18 0.25 -1.33 0.00 0.00 177.39 178.47 1x0h h LEU 95 N 0.00 0.84 -0.54 2.23 5.85 0.64 -2.10 115.31 122.23 1x0h h LEU 95 Ca -0.54 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.02 1x0h h LEU 95 Cb 2.20 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 1x0h h LEU 95 CO 0.02 0.59 -0.73 0.40 -0.34 0.00 0.00 178.44 178.38 1x0h h ILE 96 N 0.99 1.51 0.02 4.05 2.04 -1.77 -3.15 117.51 121.20 1x0h h ILE 96 Ca 0.30 -2.46 0.01 0.00 1.00 0.00 0.00 64.86 63.70 1x0h h ILE 96 Cb -0.03 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1x0h h ILE 96 CO -0.09 0.71 -0.05 0.15 0.00 0.00 0.00 178.15 178.86 1x0h h PHE 97 N 0.01 -0.12 0.13 1.37 3.04 -1.52 0.17 116.94 120.02 1x0h h PHE 97 Ca -0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1x0h h PHE 97 Cb 1.28 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.85 1x0h h PHE 97 CO 0.00 -0.08 -0.06 1.25 -2.02 0.00 0.00 178.31 177.40 1x0h h LEU 98 N -0.09 -0.15 -2.04 0.59 5.85 -1.52 -2.24 115.31 115.71 1x0h h LEU 98 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1x0h h LEU 98 Cb 0.11 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1x0h h LEU 98 CO -0.04 -0.11 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.83 1x0h h LEU 99 N -0.18 0.00 -1.99 2.25 3.38 -1.49 0.48 115.31 117.76 1x0h h LEU 99 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1x0h h LEU 99 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1x0h h LEU 99 CO 0.03 0.06 0.16 -1.13 0.09 0.00 0.00 178.44 177.65 1x0h h ASN 100 N 0.00 0.01 0.00 -0.43 -0.73 -0.03 0.17 115.58 114.58 1x0h h ASN 100 Ca -0.00 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 1x0h h ASN 100 Cb 0.11 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1x0h h ASN 100 CO 0.01 0.01 -1.46 0.29 -0.37 0.00 0.00 177.43 175.90 1x0h n LYS 101 N -4.47 2.57 0.31 6.67 5.02 -0.69 -4.03 118.16 123.54 1x0h n LYS 101 Ca 0.02 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 1x0h n LYS 101 Cb 0.31 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 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 -0.80 0.00 1.97 1.79 0.02 -3.41 116.57 116.14 1x0h h LYS 102 Ca -0.17 0.05 -0.45 0.00 -2.18 0.00 0.00 60.65 57.91 1x0h h LYS 102 Cb 1.31 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 32.07 1x0h h LYS 102 CO 0.01 -0.53 -2.52 1.19 -1.08 0.00 0.00 179.45 176.51 1x0h n PHE 103 N -4.92 0.02 -1.55 -1.35 3.01 -0.80 -4.89 117.46 106.98 1x0h n PHE 103 Ca -0.10 0.01 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 1x0h n PHE 103 Cb 0.33 -1.00 -0.04 0.00 -0.01 0.00 0.00 39.48 38.75 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 -4.04 1.63 0.00 1.38 4.02 0.55 -4.66 117.16 116.04 1x0h n TYR 104 Ca -0.53 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1x0h n TYR 104 Cb 0.91 -2.64 0.00 0.00 -0.02 0.00 0.00 39.34 37.58 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 6.04 -0.97 2.26 2.72 0.00 -1.26 -4.13 105.19 109.84 1x0h n GLY 105 Ca 0.36 0.65 -0.30 0.00 0.00 0.00 0.00 46.02 46.74 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 2.42 0.07 1.61 4.76 -1.26 -4.35 118.16 121.40 1x0h n LYS 106 Ca 0.00 -2.75 0.00 0.00 -2.87 0.00 0.00 58.31 52.69 1x0h n LYS 106 Cb 0.00 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 1x0h n LYS 106 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x0h n SER 107 N -0.42 0.63 0.00 4.39 7.64 -1.26 -5.12 113.62 119.49 1x0h n SER 107 Ca 0.52 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1x0h n SER 107 Cb 0.59 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 108 N 2.87 0.75 0.18 0.23 0.00 -1.26 -5.02 105.19 102.94 1x0h n GLY 108 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1x0h n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x0h h PRO 109 N 0.00 0.00 -4.97 1.61 0.13 -2.00 -3.41 132.00 123.37 1x0h h PRO 109 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1x0h h PRO 109 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 1x0h h PRO 109 CO 0.00 0.40 -0.82 -1.54 -0.23 0.00 0.00 178.00 175.81 1x0h s SER 110 N -6.69 3.79 -0.46 1.44 1.04 -1.26 -5.08 113.70 106.48 1x0h s SER 110 Ca -0.02 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.33 1x0h s SER 110 Cb 0.13 -1.53 0.10 0.00 0.10 0.00 0.00 66.02 64.82 1x0h s SER 110 CO 0.71 -0.09 0.34 -0.94 0.98 0.00 0.00 173.24 174.24 1x0h s SER 111 N 1.22 5.79 0.00 7.02 1.04 -1.26 -5.21 113.70 122.30 1x0h s SER 111 Ca -0.01 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 54.74 1x0h s SER 111 Cb -0.16 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1x0h s SER 111 CO -0.09 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.09