#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 -0.05 0.51 1.61 0.01 -1.26 -5.18 113.70 109.34 1x0h s SER 2 Ca 0.00 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.70 1x0h s SER 2 Cb 0.00 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.74 1x0h s SER 2 CO 0.00 -0.87 0.51 -1.20 0.41 0.00 0.00 173.24 172.09 1x0h n SER 3 N -0.20 2.37 0.00 2.44 7.64 -1.26 -5.14 113.62 119.47 1x0h n SER 3 Ca -0.12 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1x0h n SER 3 Cb 0.63 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1x0h n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 4 N -1.23 0.73 2.52 0.23 0.00 -1.26 -5.09 105.19 101.09 1x0h n GLY 4 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1x0h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x0h n SER 5 N 0.00 -1.63 -1.81 1.61 2.88 -1.26 -4.88 113.62 108.52 1x0h n SER 5 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1x0h n SER 5 Cb 0.00 -5.16 0.00 0.00 -0.75 0.00 0.00 64.21 58.30 1x0h n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x0h n SER 6 N 1.69 -8.22 0.00 -3.46 2.88 -1.26 -5.04 113.62 100.21 1x0h n SER 6 Ca -0.36 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1x0h n SER 6 Cb 0.56 -4.50 0.00 0.00 -0.75 0.00 0.00 64.21 59.52 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 1.34 1.17 3.79 0.46 0.00 -1.26 -5.02 105.19 105.66 1x0h n GLY 7 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.10 4.90 0.62 -0.61 -4.36 -1.26 -4.99 121.20 115.60 1x0h s ILE 8 Ca 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.24 1x0h s ILE 8 Cb 0.00 -3.16 0.00 0.00 1.25 0.00 0.00 42.46 40.55 1x0h s ILE 8 CO 0.00 0.51 0.00 -1.20 0.24 0.00 0.00 174.94 174.49 1x0h n SER 9 N 1.71 -7.74 -4.93 4.36 7.64 -1.26 -4.92 113.62 108.48 1x0h n SER 9 Ca -0.17 1.46 -0.26 0.00 1.01 0.00 0.00 58.87 60.91 1x0h n SER 9 Cb 0.54 -4.92 -0.03 0.00 -1.01 0.00 0.00 64.21 58.79 1x0h n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x0h s LEU 10 N -7.21 4.14 -0.20 -3.43 1.43 -0.24 -4.93 118.68 108.24 1x0h s LEU 10 Ca 0.00 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1x0h s LEU 10 Cb 0.00 -3.26 0.07 0.00 0.03 0.00 0.00 46.19 43.02 1x0h s LEU 10 CO 0.00 -0.14 0.07 -0.75 0.23 0.00 0.00 176.35 175.75 1x0h s LYS 11 N -3.66 0.44 -0.10 1.70 2.47 -1.26 -3.07 119.74 116.25 1x0h s LYS 11 Ca 0.40 -0.38 -0.04 0.00 -1.56 0.00 0.00 55.97 54.39 1x0h s LYS 11 Cb -0.10 -1.93 0.05 0.00 -1.46 0.00 0.00 37.83 34.38 1x0h s LYS 11 CO 0.31 -0.71 0.21 0.71 0.16 0.00 0.00 175.35 176.02 1x0h s TYR 12 N 1.95 -0.28 0.81 4.03 2.02 -1.25 -5.02 117.35 119.60 1x0h s TYR 12 Ca 0.02 0.75 -0.12 0.00 -0.37 0.00 0.00 57.07 57.35 1x0h s TYR 12 Cb -0.17 -0.13 0.08 0.00 -0.40 0.00 0.00 41.96 41.34 1x0h s TYR 12 CO -0.12 -0.29 1.11 0.95 -1.57 0.00 0.00 175.55 175.63 1x0h s THR 13 N 2.14 2.85 0.41 -0.71 -4.23 -1.26 -2.16 115.64 112.69 1x0h s THR 13 Ca 0.00 0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 1x0h s THR 13 Cb -0.12 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.90 1x0h s THR 13 CO -0.07 -0.36 2.05 0.00 -0.54 0.00 0.00 174.62 175.70 1x0h h ALA 14 N -1.11 1.70 -0.38 3.99 0.00 -0.46 -1.92 119.26 121.09 1x0h h ALA 14 Ca -0.47 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1x0h h ALA 14 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1x0h h ALA 14 CO 0.61 0.26 -0.22 0.00 0.00 0.00 0.00 179.25 179.90 1x0h h ALA 15 N 1.75 0.91 -0.59 0.00 0.00 -1.81 -0.93 119.26 118.59 1x0h h ALA 15 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1x0h h ALA 15 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1x0h h ALA 15 CO -0.02 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 1x0h h ARG 16 N 0.65 1.05 -0.18 0.00 2.47 -1.69 -2.41 114.38 114.27 1x0h h ARG 16 Ca 0.09 -0.35 -0.18 0.00 -1.26 0.00 0.00 59.98 58.28 1x0h h ARG 16 Cb 0.72 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1x0h h ARG 16 CO 0.06 1.05 -0.62 -0.07 0.56 0.00 0.00 179.97 180.94 1x0h h LEU 17 N 0.95 0.71 -0.41 3.04 3.38 -1.32 -2.89 115.31 118.77 1x0h h LEU 17 Ca 0.16 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1x0h h LEU 17 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1x0h h LEU 17 CO 0.03 1.15 0.26 -0.74 0.09 0.00 0.00 178.44 179.24 1x0h h HIS 18 N 0.46 0.52 -0.58 1.13 2.76 -1.03 0.28 115.15 118.68 1x0h h HIS 18 Ca -0.01 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1x0h h HIS 18 Cb 1.19 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 1x0h h HIS 18 CO 0.06 0.34 0.21 0.93 -1.30 0.00 0.00 177.93 178.16 1x0h h GLU 19 N 0.55 0.85 -0.03 5.26 4.39 -1.44 -2.30 114.58 121.86 1x0h h GLU 19 Ca 0.15 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1x0h h GLU 19 Cb -0.05 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1x0h h GLU 19 CO -0.03 0.72 -0.59 0.87 -1.16 0.00 0.00 179.01 178.82 1x0h h LYS 20 N 0.84 0.09 0.00 2.33 1.57 -1.21 -3.47 116.57 116.71 1x0h h LYS 20 Ca 0.20 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1x0h h LYS 20 Cb 0.20 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1x0h h LYS 20 CO -0.01 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1x0h n GLY 21 N 0.18 2.27 0.12 3.86 0.00 0.01 -5.01 105.19 106.62 1x0h n GLY 21 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.22 1.61 2.07 -1.61 -3.42 116.25 111.69 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 0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1x0h h VAL 22 CO 0.00 0.00 0.63 -0.22 0.02 0.00 0.00 177.57 178.00 1x0h s LEU 23 N -5.59 4.39 -0.03 2.57 2.96 -1.13 0.95 118.68 122.81 1x0h s LEU 23 Ca -0.04 2.24 -0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1x0h s LEU 23 Cb 0.01 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1x0h s LEU 23 CO 0.14 -0.52 -0.05 0.18 -1.32 0.00 0.00 176.35 174.78 1x0h n LEU 24 N 3.41 0.33 -3.83 -0.68 4.77 -0.85 -4.14 117.00 116.00 1x0h n LEU 24 Ca 0.08 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1x0h n LEU 24 Cb 0.44 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1x0h n LEU 24 CO 0.57 -0.48 0.50 -1.61 -1.33 0.00 0.00 177.39 175.04 1x0h s GLU 25 N -1.27 2.27 -0.02 3.23 2.02 -1.24 -5.02 118.70 118.67 1x0h s GLU 25 Ca -0.04 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.42 1x0h s GLU 25 Cb 0.01 0.61 0.01 0.00 0.10 0.00 0.00 34.13 34.85 1x0h s GLU 25 CO 0.06 -1.05 -0.03 0.42 0.02 0.00 0.00 175.26 174.67 1x0h s ILE 26 N -2.18 0.32 -0.93 -1.63 1.01 -1.26 -0.70 121.20 115.83 1x0h s ILE 26 Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1x0h s ILE 26 Cb -0.05 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.10 1x0h s ILE 26 CO 0.13 0.13 2.81 -0.62 0.00 0.00 0.00 174.94 177.39 1x0h n GLU 27 N 3.48 3.40 0.00 2.79 1.02 -1.20 -3.77 120.64 126.36 1x0h n GLU 27 Ca -0.19 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.44 1x0h n GLU 27 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1x0h n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1x0h n ASP 28 N 1.97 0.00 -4.67 1.62 5.68 -1.26 -4.95 116.55 114.94 1x0h n ASP 28 Ca 0.59 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.63 1x0h n ASP 28 Cb 0.44 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.34 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1x0h s LEU 29 N -1.11 3.05 0.44 -2.12 1.43 -1.25 -5.15 118.68 113.96 1x0h s LEU 29 Ca 0.00 -0.99 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1x0h s LEU 29 Cb 0.00 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1x0h s LEU 29 CO 0.00 -0.32 0.27 -1.10 0.23 0.00 0.00 176.35 175.43 1x0h s GLN 30 N -3.77 2.31 0.54 1.70 -0.21 -1.26 -4.34 119.66 114.63 1x0h s GLN 30 Ca 0.36 -1.81 0.24 0.00 0.02 0.00 0.00 55.36 54.17 1x0h s GLN 30 Cb 0.01 -2.09 1.42 0.00 1.00 0.00 0.00 33.01 33.35 1x0h s GLN 30 CO 0.20 -0.24 2.04 0.28 -2.12 0.00 0.00 175.29 175.46 1x0h h VAL 31 N 1.19 0.72 0.00 1.09 2.07 -1.98 0.14 116.25 119.48 1x0h h VAL 31 Ca -0.41 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 1x0h h VAL 31 Cb 1.27 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1x0h h VAL 31 CO 0.64 0.00 -0.51 -1.13 0.02 0.00 0.00 177.57 176.60 1x0h h ASN 32 N 0.00 0.00 0.64 0.57 -1.24 -2.04 -2.89 115.58 110.62 1x0h h ASN 32 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1x0h h ASN 32 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1x0h h ASN 32 CO -0.00 0.51 -0.43 0.00 -1.29 0.00 0.00 177.43 176.21 1x0h n GLN 33 N -3.68 0.04 0.02 6.67 1.13 0.42 -4.00 117.38 117.98 1x0h n GLN 33 Ca -0.01 0.01 0.22 0.00 -1.94 0.00 0.00 57.00 55.29 1x0h n GLN 33 Cb 0.57 -1.53 0.73 0.00 0.11 0.00 0.00 30.24 30.12 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 0.00 -0.16 1.08 -1.00 -1.17 0.24 116.94 115.93 1x0h h PHE 34 Ca 0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1x0h h PHE 34 Cb 0.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1x0h h PHE 34 CO 0.00 0.00 -0.25 0.87 -1.61 0.00 0.00 178.31 177.32 1x0h h LYS 35 N 0.00 0.30 -1.65 1.51 1.57 -1.77 -2.94 116.57 113.58 1x0h h LYS 35 Ca 0.25 -0.10 -0.56 0.00 -1.87 0.00 0.00 60.65 58.37 1x0h h LYS 35 Cb 1.20 -0.02 -0.22 0.00 0.08 0.00 0.00 32.23 33.27 1x0h h LYS 35 CO -0.00 0.54 0.67 0.27 -0.57 0.00 0.00 179.45 180.35 1x0h n ASN 36 N -4.15 7.01 -3.30 0.86 0.23 0.84 -4.74 115.26 112.01 1x0h n ASN 36 Ca -0.01 -3.45 -0.09 0.00 -0.53 0.00 0.00 54.58 50.50 1x0h n ASN 36 Cb 0.37 -1.10 -0.06 0.00 -2.08 0.00 0.00 39.78 36.92 1x0h n ASN 36 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x0h s VAL 37 N -3.51 -0.65 -0.04 3.53 1.01 -1.13 -5.06 120.40 114.55 1x0h s VAL 37 Ca 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1x0h s VAL 37 Cb 0.39 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1x0h s VAL 37 CO -0.17 -0.28 0.12 -0.51 0.00 0.00 0.00 175.10 174.27 1x0h s ILE 38 N 2.55 5.13 -0.33 2.22 1.10 -1.26 -0.26 121.20 130.35 1x0h s ILE 38 Ca 0.10 -0.15 0.02 0.00 -0.51 0.00 0.00 60.65 60.10 1x0h s ILE 38 Cb -0.12 -3.32 0.09 0.00 0.15 0.00 0.00 42.46 39.25 1x0h s ILE 38 CO -0.30 0.43 0.04 -0.36 -2.11 0.00 0.00 174.94 172.64 1x0h s PHE 39 N -1.17 3.57 -0.10 3.50 0.40 -0.92 -4.57 117.98 118.68 1x0h s PHE 39 Ca 0.22 -2.60 -0.26 0.00 -0.60 0.00 0.00 56.93 53.69 1x0h s PHE 39 Cb -0.12 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.70 1x0h s PHE 39 CO 0.12 -0.92 0.82 -2.00 0.70 0.00 0.00 175.22 173.94 1x0h s GLU 40 N 1.04 4.39 -0.11 0.44 2.12 -0.41 -3.79 118.70 122.37 1x0h s GLU 40 Ca 0.04 1.05 0.03 0.00 0.36 0.00 0.00 54.97 56.45 1x0h s GLU 40 Cb -0.20 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.69 1x0h s GLU 40 CO -0.06 -0.15 -0.21 0.42 -0.54 0.00 0.00 175.26 174.73 1x0h s ILE 41 N 1.50 1.89 -0.36 -3.70 1.01 -1.17 0.26 121.20 120.62 1x0h s ILE 41 Ca 0.41 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1x0h s ILE 41 Cb -0.18 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.64 1x0h s ILE 41 CO 0.17 0.52 0.21 -0.44 0.00 0.00 0.00 174.94 175.40 1x0h s SER 42 N 0.65 5.77 -0.22 3.58 0.01 0.15 -1.08 113.70 122.57 1x0h s SER 42 Ca -0.12 -0.85 -0.29 0.00 1.31 0.00 0.00 55.95 55.99 1x0h s SER 42 Cb -0.16 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1x0h s SER 42 CO 0.03 -0.35 1.46 -2.16 0.41 0.00 0.00 173.24 172.63 1x0h s PRO 43 N 1.59 3.95 0.96 12.44 0.04 -1.26 -3.10 135.00 149.62 1x0h s PRO 43 Ca 0.03 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1x0h s PRO 43 Cb -0.19 -3.93 0.18 0.00 0.04 0.00 0.00 34.50 30.61 1x0h s PRO 43 CO 0.07 -1.09 1.26 0.95 0.04 0.00 0.00 177.00 178.24 1x0h s THR 44 N 4.51 1.96 -0.07 1.26 -4.23 -1.26 -5.02 115.64 112.79 1x0h s THR 44 Ca 0.64 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1x0h s THR 44 Cb -0.23 -2.93 -0.29 0.00 1.34 0.00 0.00 72.50 70.39 1x0h s THR 44 CO 0.25 0.00 0.57 1.05 -0.54 0.00 0.00 174.62 175.95 1x0h h GLU 45 N -1.63 0.35 -6.80 3.99 4.11 -1.95 -3.46 114.58 109.18 1x0h h GLU 45 Ca -0.45 -0.60 -0.51 0.00 0.07 0.00 0.00 59.36 57.87 1x0h h GLU 45 Cb 1.26 0.22 0.03 0.00 0.50 0.00 0.00 28.75 30.77 1x0h h GLU 45 CO 0.44 1.29 0.55 -2.00 0.07 0.00 0.00 179.01 179.35 1x0h s GLU 46 N -2.57 4.52 0.15 1.06 2.12 -1.26 -4.99 118.70 117.73 1x0h s GLU 46 Ca -0.18 1.96 -0.30 0.00 0.36 0.00 0.00 54.97 56.81 1x0h s GLU 46 Cb 0.06 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.22 1x0h s GLU 46 CO 0.82 0.02 1.11 0.54 -0.54 0.00 0.00 175.26 177.22 1x0h s VAL 47 N -0.93 3.92 0.00 3.70 0.11 -1.26 -3.34 120.40 122.60 1x0h s VAL 47 Ca 0.48 1.60 0.00 0.00 -2.93 0.00 0.00 61.98 61.13 1x0h s VAL 47 Cb -0.35 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 30.48 1x0h s VAL 47 CO 0.44 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 173.07 1x0h n GLY 48 N 2.25 2.51 3.75 6.54 0.00 -1.26 -5.05 105.19 113.93 1x0h n GLY 48 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 0.49 7.34 -0.20 1.61 2.15 -1.21 -3.56 116.67 123.29 1x0h s ASP 49 Ca 0.00 1.59 -0.04 0.00 0.43 0.00 0.00 52.55 54.54 1x0h s ASP 49 Cb 0.00 -2.50 0.07 0.00 -0.30 0.00 0.00 42.92 40.18 1x0h s ASP 49 CO 0.00 0.08 0.07 -0.36 -0.17 0.00 0.00 175.17 174.80 1x0h s PHE 50 N -0.51 0.64 -0.52 -5.34 0.08 -0.97 -4.42 117.98 106.94 1x0h s PHE 50 Ca 0.39 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 1x0h s PHE 50 Cb -0.22 -0.91 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 1x0h s PHE 50 CO 0.26 -0.61 0.80 -2.00 -0.10 0.00 0.00 175.22 173.57 1x0h s GLU 51 N 1.99 3.26 -0.01 0.44 2.12 -1.18 -0.44 118.70 124.89 1x0h s GLU 51 Ca 0.02 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1x0h s GLU 51 Cb -0.17 -4.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 1x0h s GLU 51 CO -0.13 -1.33 -0.01 0.08 -0.54 0.00 0.00 175.26 173.32 1x0h s VAL 52 N 3.38 4.05 0.01 3.70 1.01 -0.06 0.32 120.40 132.82 1x0h s VAL 52 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1x0h s VAL 52 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1x0h s VAL 52 CO 0.17 0.39 -0.02 -0.75 0.00 0.00 0.00 175.10 174.89 1x0h s LYS 53 N -1.49 0.23 -0.29 2.72 2.20 0.14 -0.23 119.74 123.02 1x0h s LYS 53 Ca 0.19 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 1x0h s LYS 53 Cb -0.11 0.08 0.18 0.00 -1.51 0.00 0.00 37.83 36.46 1x0h s LYS 53 CO 0.09 -0.04 0.51 0.00 -0.36 0.00 0.00 175.35 175.55 1x0h s ALA 54 N -1.08 -1.82 0.34 3.13 0.00 -1.26 -1.29 121.76 119.78 1x0h s ALA 54 Ca -0.12 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1x0h s ALA 54 Cb -0.07 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1x0h s ALA 54 CO -0.01 -1.68 0.42 0.15 0.00 0.00 0.00 175.76 174.65 1x0h s LYS 55 N 2.70 1.88 -0.25 0.00 1.02 -1.26 -5.06 119.74 118.77 1x0h s LYS 55 Ca 0.12 -1.84 0.10 0.00 0.02 0.00 0.00 55.97 54.36 1x0h s LYS 55 Cb -0.12 0.41 0.45 0.00 -0.52 0.00 0.00 37.83 38.05 1x0h s LYS 55 CO -0.26 -0.76 1.29 1.19 -0.92 0.00 0.00 175.35 175.89 1x0h n PHE 56 N -0.58 0.72 0.11 3.18 3.72 -1.26 -4.75 117.46 118.59 1x0h n PHE 56 Ca 0.03 -1.66 0.00 0.00 -0.05 0.00 0.00 57.45 55.77 1x0h n PHE 56 Cb 0.62 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1x0h n PHE 56 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1x0h n MET 57 N -1.06 0.00 -0.18 -1.08 1.56 -1.26 -5.09 117.12 110.01 1x0h n MET 57 Ca 0.27 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.70 1x0h n MET 57 Cb 0.81 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.18 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 0.51 0.51 3.44 -5.12 0.00 -1.26 -5.10 105.19 98.17 1x0h n GLY 58 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.21 3.92 -0.45 1.61 -7.23 -1.26 -5.06 120.40 110.72 1x0h s VAL 59 Ca 0.00 -0.32 -0.28 0.00 -1.81 0.00 0.00 61.98 59.57 1x0h s VAL 59 Cb 0.00 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1x0h s VAL 59 CO 0.00 0.43 1.68 -1.10 -0.31 0.00 0.00 175.10 175.80 1x0h s GLN 60 N 1.02 3.19 0.06 4.82 -0.21 -1.26 -4.65 119.66 122.63 1x0h s GLN 60 Ca 0.02 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.37 1x0h s GLN 60 Cb -0.14 -4.20 0.00 0.00 1.00 0.00 0.00 33.01 29.66 1x0h s GLN 60 CO 0.02 -2.04 0.00 -1.33 -2.12 0.00 0.00 175.29 169.82 1x0h n MET 61 N 8.59 0.00 -3.15 2.91 2.81 -1.26 -5.09 117.12 121.93 1x0h n MET 61 Ca 0.19 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.13 1x0h n MET 61 Cb 0.49 -0.12 -0.00 0.00 -0.71 0.00 0.00 33.22 32.88 1x0h n MET 61 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1x0h s GLU 62 N -2.00 0.28 0.88 0.03 -6.30 -1.26 -5.17 118.70 105.16 1x0h s GLU 62 Ca 0.00 0.32 -0.12 0.00 -2.50 0.00 0.00 54.97 52.68 1x0h s GLU 62 Cb 0.00 0.16 0.12 0.00 0.00 0.00 0.00 34.13 34.41 1x0h s GLU 62 CO 0.00 -0.48 1.11 0.99 0.02 0.00 0.00 175.26 176.90 1x0h s THR 63 N 2.92 2.49 -0.33 -1.70 2.01 -1.26 -5.01 115.64 114.77 1x0h s THR 63 Ca 0.18 0.16 -0.19 0.00 0.31 0.00 0.00 61.69 62.15 1x0h s THR 63 Cb -0.06 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1x0h s THR 63 CO -0.22 -0.21 0.57 0.12 -0.69 0.00 0.00 174.62 174.19 1x0h s PHE 64 N -3.13 3.19 -0.54 4.92 5.36 0.67 -4.95 117.98 123.51 1x0h s PHE 64 Ca 0.63 0.39 -0.26 0.00 -0.96 0.00 0.00 56.93 56.73 1x0h s PHE 64 Cb -0.16 -2.96 0.03 0.00 -0.34 0.00 0.00 43.02 39.60 1x0h s PHE 64 CO 0.55 -0.50 1.04 -1.64 -1.46 0.00 0.00 175.22 173.20 1x0h s MET 65 N 2.51 3.45 -0.35 10.12 -1.94 -1.26 -0.88 119.30 130.95 1x0h s MET 65 Ca 0.22 0.03 -0.13 0.00 -1.71 0.00 0.00 55.69 54.11 1x0h s MET 65 Cb -0.15 -4.01 -0.00 0.00 2.01 0.00 0.00 34.83 32.68 1x0h s MET 65 CO 0.13 -1.50 0.24 -1.17 -0.01 0.00 0.00 175.02 172.71 1x0h s LEU 66 N 4.29 4.62 0.68 -0.03 2.96 0.42 -4.99 118.68 126.62 1x0h s LEU 66 Ca 0.37 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1x0h s LEU 66 Cb -0.10 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.52 1x0h s LEU 66 CO 0.23 -0.29 1.00 -2.28 -1.32 0.00 0.00 176.35 173.69 1x0h s HIS 67 N 1.68 3.04 -0.13 5.38 2.46 -1.26 -2.29 115.29 124.17 1x0h s HIS 67 Ca 0.05 0.56 0.12 0.00 0.47 0.00 0.00 55.06 56.27 1x0h s HIS 67 Cb -0.18 -3.08 -0.24 0.00 -0.13 0.00 0.00 32.58 28.96 1x0h s HIS 67 CO 0.10 -1.26 0.34 0.98 -2.47 0.00 0.00 174.74 172.43 1x0h n TYR 68 N -2.86 0.56 -0.26 3.88 9.36 -1.23 -4.16 117.16 122.45 1x0h n TYR 68 Ca 0.07 0.19 -0.05 0.00 3.32 0.00 0.00 57.90 61.42 1x0h n TYR 68 Cb 0.59 -1.10 0.05 0.00 -0.63 0.00 0.00 39.34 38.26 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 0.01 0.98 -0.67 2.98 1.08 -1.95 -2.28 115.11 115.26 1x0h h GLN 69 Ca -0.42 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1x0h h GLN 69 Cb 2.10 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 29.30 1x0h h GLN 69 CO 0.05 0.72 0.42 -0.44 -0.95 0.00 0.00 178.83 178.63 1x0h h ASP 70 N 0.98 0.79 -0.39 1.46 3.32 -2.00 -0.31 116.42 120.27 1x0h h ASP 70 Ca 0.25 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1x0h h ASP 70 Cb -0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1x0h h ASP 70 CO -0.04 0.59 0.08 -0.07 -1.72 0.00 0.00 179.24 178.07 1x0h h LEU 71 N 0.92 0.62 -0.95 1.55 3.38 -1.58 -2.82 115.31 116.42 1x0h h LEU 71 Ca 0.24 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1x0h h LEU 71 Cb -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1x0h h LEU 71 CO -0.05 0.71 -0.46 -0.07 0.09 0.00 0.00 178.44 178.66 1x0h h LEU 72 N 0.50 0.16 -1.72 1.67 3.38 -1.01 -2.82 115.31 115.45 1x0h h LEU 72 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1x0h h LEU 72 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1x0h h LEU 72 CO 0.01 0.60 -0.00 -0.61 0.09 0.00 0.00 178.44 178.52 1x0h h GLN 73 N 0.12 0.17 -0.03 1.13 -0.00 -0.82 -1.67 115.11 114.00 1x0h h GLN 73 Ca 0.01 -0.02 -0.17 0.00 -0.00 0.00 0.00 58.65 58.47 1x0h h GLN 73 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 1x0h h GLN 73 CO 0.07 0.19 -0.72 -0.07 0.00 0.00 0.00 178.83 178.29 1x0h h LEU 74 N 0.17 0.24 -0.36 -2.39 3.38 -1.32 -2.12 115.31 112.91 1x0h h LEU 74 Ca 0.04 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 1x0h h LEU 74 Cb 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1x0h h LEU 74 CO 0.00 0.88 -0.47 1.56 0.09 0.00 0.00 178.44 180.50 1x0h h GLN 75 N 0.13 0.89 -0.23 1.13 4.20 -1.31 0.78 115.11 120.69 1x0h h GLN 75 Ca -0.02 -0.52 -0.19 0.00 0.06 0.00 0.00 58.65 57.99 1x0h h GLN 75 Cb 1.28 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1x0h h GLN 75 CO 0.11 1.16 -0.59 -0.92 -0.67 0.00 0.00 178.83 177.92 1x0h h TYR 76 N 0.70 0.97 -0.11 2.96 3.20 -1.39 -3.21 116.97 120.09 1x0h h TYR 76 Ca 0.04 -0.36 -0.21 0.00 3.14 0.00 0.00 58.73 61.34 1x0h h TYR 76 Cb 1.07 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1x0h h TYR 76 CO 0.07 1.16 -0.77 0.93 -1.64 0.00 0.00 178.16 177.91 1x0h h GLU 77 N 0.57 0.60 0.00 1.82 4.39 -1.37 -3.48 114.58 117.12 1x0h h GLU 77 Ca 0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1x0h h GLU 77 Cb 1.18 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1x0h h GLU 77 CO 0.12 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.51 1x0h n GLY 78 N 0.65 1.92 3.24 -3.84 0.00 0.25 -5.09 105.19 102.33 1x0h n GLY 78 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 4.65 0.21 1.61 1.01 0.25 -4.90 120.40 121.23 1x0h s VAL 79 Ca 0.00 -1.98 0.10 0.00 0.00 0.00 0.00 61.98 60.09 1x0h s VAL 79 Cb 0.00 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1x0h s VAL 79 CO 0.00 -0.86 1.49 0.00 0.00 0.00 0.00 175.10 175.74 1x0h h ALA 80 N 8.27 0.75 -2.75 5.51 0.00 -1.95 -3.40 119.26 125.69 1x0h h ALA 80 Ca -0.15 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.48 1x0h h ALA 80 Cb 1.06 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1x0h h ALA 80 CO 0.87 0.93 -0.18 0.08 0.00 0.00 0.00 179.25 180.94 1x0h s VAL 81 N -3.28 5.05 -0.12 0.00 1.01 -1.26 0.61 120.40 122.41 1x0h s VAL 81 Ca -0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1x0h s VAL 81 Cb 0.12 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1x0h s VAL 81 CO 0.78 0.52 -0.23 -0.32 0.00 0.00 0.00 175.10 175.85 1x0h s MET 82 N -0.68 3.04 -0.54 2.72 1.75 0.26 -4.87 119.30 120.98 1x0h s MET 82 Ca 0.24 -0.86 -0.24 0.00 -1.25 0.00 0.00 55.69 53.57 1x0h s MET 82 Cb -0.16 -2.38 0.04 0.00 2.84 0.00 0.00 34.83 35.17 1x0h s MET 82 CO 0.13 0.07 0.94 0.21 -0.65 0.00 0.00 175.02 175.72 1x0h s LYS 83 N 0.60 3.36 -0.11 4.11 2.47 -1.26 -0.95 119.74 127.95 1x0h s LYS 83 Ca -0.12 -0.20 -0.02 0.00 -1.56 0.00 0.00 55.97 54.06 1x0h s LYS 83 Cb -0.17 -4.04 -0.03 0.00 -1.46 0.00 0.00 37.83 32.14 1x0h s LYS 83 CO 0.03 -1.45 -0.02 -0.51 0.16 0.00 0.00 175.35 173.55 1x0h s LEU 84 N 3.94 3.41 -2.15 5.43 1.43 0.47 -4.44 118.68 126.76 1x0h s LEU 84 Ca 0.31 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1x0h s LEU 84 Cb -0.12 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1x0h s LEU 84 CO 0.20 0.29 0.00 0.49 0.23 0.00 0.00 176.35 177.56 1x0h n PHE 85 N 2.72 -0.16 -2.38 0.29 3.72 -1.26 -1.83 117.46 118.56 1x0h n PHE 85 Ca -0.18 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.07 1x0h n PHE 85 Cb 0.53 -3.57 -0.01 0.00 -0.94 0.00 0.00 39.48 35.49 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 -1.48 -4.43 0.00 4.37 8.00 -1.26 -4.62 116.55 117.13 1x0h n ASP 86 Ca -0.22 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1x0h n ASP 86 Cb 0.69 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 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 -2.81 0.00 -1.99 -1.24 5.12 -0.76 -5.02 116.66 109.96 1x0h n ARG 87 Ca -0.17 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.35 1x0h n ARG 87 Cb 0.62 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.92 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 -1.39 3.28 0.09 7.54 0.00 -0.83 -3.28 121.76 127.17 1x0h s ALA 88 Ca 0.00 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.34 1x0h s ALA 88 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1x0h s ALA 88 CO 0.00 -0.90 -0.16 0.15 0.00 0.00 0.00 175.76 174.84 1x0h s LYS 89 N -2.25 1.96 0.08 0.00 1.02 0.12 -0.39 119.74 120.28 1x0h s LYS 89 Ca 0.57 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1x0h s LYS 89 Cb -0.40 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1x0h s LYS 89 CO 0.51 0.51 -0.06 0.08 -0.92 0.00 0.00 175.35 175.47 1x0h s VAL 90 N -1.08 0.60 -0.26 3.17 1.01 -0.13 -2.01 120.40 121.71 1x0h s VAL 90 Ca 0.17 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.20 1x0h s VAL 90 Cb -0.11 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1x0h s VAL 90 CO 0.09 -0.80 0.56 0.21 0.00 0.00 0.00 175.10 175.16 1x0h s ASN 91 N -2.76 6.49 0.38 3.32 3.84 0.27 0.92 114.94 127.40 1x0h s ASN 91 Ca 0.07 0.58 0.16 0.00 0.21 0.00 0.00 52.86 53.89 1x0h s ASN 91 Cb 0.03 -2.30 0.75 0.00 -0.55 0.00 0.00 41.25 39.18 1x0h s ASN 91 CO -0.04 -0.32 1.80 0.58 -2.79 0.00 0.00 177.10 176.32 1x0h h VAL 92 N 5.41 1.08 0.00 -5.21 2.07 -0.11 0.90 116.25 120.40 1x0h h VAL 92 Ca -0.28 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.79 1x0h h VAL 92 Cb 1.13 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1x0h h VAL 92 CO 0.74 0.37 -0.34 0.78 0.02 0.00 0.00 177.57 179.14 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 2.35 -1.90 -3.03 115.58 113.57 1x0h h ASN 93 Ca -0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1x0h h ASN 93 Cb 0.75 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 1x0h h ASN 93 CO 0.05 0.34 -1.88 0.18 -1.65 0.00 0.00 177.43 174.46 1x0h n LEU 94 N -4.02 0.00 -0.36 1.61 4.77 -1.05 -4.17 117.00 113.78 1x0h n LEU 94 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1x0h n LEU 94 Cb 0.39 0.29 0.17 0.00 -2.33 0.00 0.00 43.42 41.94 1x0h n LEU 94 CO 0.38 0.29 1.24 0.25 -1.33 0.00 0.00 177.39 178.22 1x0h h LEU 95 N 0.00 0.98 -0.17 2.23 5.85 0.82 -1.49 115.31 123.53 1x0h h LEU 95 Ca -0.32 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.22 1x0h h LEU 95 Cb 1.69 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 1x0h h LEU 95 CO 0.02 0.61 -0.92 0.40 -0.34 0.00 0.00 178.44 178.21 1x0h h ILE 96 N 1.11 1.65 -0.37 4.05 2.04 -1.76 -3.26 117.51 120.97 1x0h h ILE 96 Ca 0.43 -3.13 -0.02 0.00 1.00 0.00 0.00 64.86 63.15 1x0h h ILE 96 Cb 0.21 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1x0h h ILE 96 CO -0.19 0.89 0.17 0.15 0.00 0.00 0.00 178.15 179.18 1x0h h PHE 97 N 0.00 0.54 -0.46 1.37 3.04 -1.47 0.15 116.94 120.12 1x0h h PHE 97 Ca -0.01 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.93 1x0h h PHE 97 Cb 1.62 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.93 1x0h h PHE 97 CO 0.00 0.46 0.27 1.25 -2.02 0.00 0.00 178.31 178.27 1x0h h LEU 98 N 0.46 0.43 -0.86 0.59 5.85 -1.40 -2.11 115.31 118.25 1x0h h LEU 98 Ca 0.13 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1x0h h LEU 98 Cb 0.13 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1x0h h LEU 98 CO -0.01 0.30 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.76 1x0h h LEU 99 N 0.53 0.04 -2.22 2.25 3.38 -1.56 0.13 115.31 117.86 1x0h h LEU 99 Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1x0h h LEU 99 Cb 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1x0h h LEU 99 CO -0.09 0.59 -0.06 -1.13 0.09 0.00 0.00 178.44 177.84 1x0h h ASN 100 N 0.03 0.00 0.00 -0.43 -0.73 -0.01 0.47 115.58 114.91 1x0h h ASN 100 Ca -0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1x0h h ASN 100 Cb 0.99 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.58 1x0h h ASN 100 CO 0.07 0.06 -1.47 0.29 -0.37 0.00 0.00 177.43 176.01 1x0h n LYS 101 N -3.69 0.49 0.00 6.67 5.02 -1.05 -4.31 118.16 121.29 1x0h n LYS 101 Ca -0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1x0h n LYS 101 Cb 0.16 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.89 0.00 -0.17 1.97 4.76 0.43 -4.68 118.16 118.58 1x0h n LYS 102 Ca -0.03 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 1x0h n LYS 102 Cb 0.31 -0.34 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 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 1.12 -1.81 2.13 -1.00 -1.56 -3.43 116.94 112.39 1x0h h PHE 103 Ca 0.00 -0.25 -0.62 0.00 2.81 0.00 0.00 57.97 59.91 1x0h h PHE 103 Cb 0.00 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.30 1x0h h PHE 103 CO 0.00 1.07 1.30 0.98 -1.61 0.00 0.00 178.31 180.04 1x0h n TYR 104 N -4.16 2.07 -2.10 -0.55 9.36 0.16 -4.67 117.16 117.27 1x0h n TYR 104 Ca 0.00 -0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.22 1x0h n TYR 104 Cb 0.42 -2.66 0.01 0.00 -0.63 0.00 0.00 39.34 36.48 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x0h n GLY 105 N 5.32 -0.49 1.36 2.98 0.00 -1.26 -4.65 105.19 108.44 1x0h n GLY 105 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.12 0.00 -3.08 1.61 5.02 -1.26 -4.90 118.16 115.43 1x0h n LYS 106 Ca -0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 1x0h n LYS 106 Cb 0.44 -0.33 -0.01 0.00 -0.02 0.00 0.00 35.03 35.11 1x0h n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x0h n SER 107 N -3.00 5.77 0.07 4.39 2.88 -1.26 -4.85 113.62 117.62 1x0h n SER 107 Ca 0.00 -3.46 -0.04 0.00 -1.33 0.00 0.00 58.87 54.05 1x0h n SER 107 Cb 0.24 -1.09 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 1x0h n SER 107 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x0h h GLY 108 N 4.93 -0.25 2.00 0.46 0.00 -1.98 -3.35 103.07 104.88 1x0h h GLY 108 Ca 0.22 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1x0h h GLY 108 CO 1.18 -0.09 -0.21 -0.56 0.00 0.00 0.00 176.54 176.86 1x0h h PRO 109 N -0.82 0.00 -6.74 4.80 0.13 -2.03 -3.44 132.00 123.91 1x0h h PRO 109 Ca -0.02 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.58 1x0h h PRO 109 Cb 0.19 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.39 1x0h h PRO 109 CO 0.04 0.21 0.93 0.45 -0.23 0.00 0.00 178.00 179.40 1x0h s SER 110 N -6.64 6.39 0.17 1.44 0.15 -1.26 -4.97 113.70 108.98 1x0h s SER 110 Ca -0.03 2.90 -0.26 0.00 0.70 0.00 0.00 55.95 59.26 1x0h s SER 110 Cb 0.14 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.75 1x0h s SER 110 CO 0.66 -0.93 0.80 -0.44 1.20 0.00 0.00 173.24 174.53 1x0h s SER 111 N 0.79 7.42 0.00 5.45 0.01 -1.26 -5.01 113.70 121.09 1x0h s SER 111 Ca 0.68 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1x0h s SER 111 Cb -0.48 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.23 1x0h s SER 111 CO 0.41 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.85