#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 2.79 -0.87 1.61 1.04 -1.26 -5.08 113.70 111.94 1x0h s SER 2 Ca 0.00 -0.53 -0.17 0.00 0.48 0.00 0.00 55.95 55.73 1x0h s SER 2 Cb 0.00 -1.27 0.16 0.00 0.10 0.00 0.00 66.02 65.00 1x0h s SER 2 CO 0.00 0.02 0.98 -0.55 0.98 0.00 0.00 173.24 174.67 1x0h s SER 3 N 1.10 6.63 -0.51 7.02 0.15 -1.26 -5.00 113.70 121.82 1x0h s SER 3 Ca -0.02 -2.18 -0.28 0.00 0.70 0.00 0.00 55.95 54.16 1x0h s SER 3 Cb -0.14 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1x0h s SER 3 CO -0.05 -0.92 1.29 -0.83 1.20 0.00 0.00 173.24 173.93 1x0h s GLY 4 N 3.17 1.09 -0.08 9.45 0.00 -1.26 -4.99 107.32 114.70 1x0h s GLY 4 Ca 0.26 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 1x0h s GLY 4 CO -0.08 2.63 0.93 -0.56 0.00 0.00 0.00 173.10 176.02 1x0h s SER 5 N 3.47 7.20 0.04 1.64 0.01 -1.26 -5.04 113.70 119.76 1x0h s SER 5 Ca 0.51 1.47 -0.10 0.00 1.31 0.00 0.00 55.95 59.14 1x0h s SER 5 Cb -0.10 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1x0h s SER 5 CO 0.29 -0.34 0.36 -0.55 0.41 0.00 0.00 173.24 173.40 1x0h s SER 6 N 1.04 6.63 0.00 2.44 0.15 -1.26 -4.40 113.70 118.30 1x0h s SER 6 Ca 0.46 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1x0h s SER 6 Cb -0.19 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x0h s SER 6 CO 0.20 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1x0h n GLY 7 N 1.19 1.17 3.93 9.45 0.00 -1.26 -5.09 105.19 114.58 1x0h n GLY 7 Ca -0.11 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1x0h n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0h s ILE 8 N -2.12 5.06 0.61 -0.61 -1.09 -1.26 -4.96 121.20 116.83 1x0h s ILE 8 Ca 0.00 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1x0h s ILE 8 Cb 0.00 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1x0h s ILE 8 CO 0.00 -0.56 0.00 -1.20 -1.23 0.00 0.00 174.94 171.95 1x0h n SER 9 N -1.67 -7.91 -4.67 3.58 7.64 -1.26 -4.93 113.62 104.38 1x0h n SER 9 Ca -0.03 1.56 -0.32 0.00 1.01 0.00 0.00 58.87 61.09 1x0h n SER 9 Cb 0.55 -4.96 -0.09 0.00 -1.01 0.00 0.00 64.21 58.71 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 -6.78 3.45 -0.13 -3.43 1.43 -0.70 -4.98 118.68 107.54 1x0h s LEU 10 Ca 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1x0h s LEU 10 Cb 0.00 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1x0h s LEU 10 CO 0.00 0.24 -0.07 -0.54 0.23 0.00 0.00 176.35 176.22 1x0h s LYS 11 N -1.81 1.47 -0.17 1.70 -0.14 -1.26 -2.50 119.74 117.03 1x0h s LYS 11 Ca 0.21 -0.31 -0.08 0.00 -1.36 0.00 0.00 55.97 54.43 1x0h s LYS 11 Cb -0.12 -1.68 0.06 0.00 -1.68 0.00 0.00 37.83 34.42 1x0h s LYS 11 CO 0.13 -0.31 0.39 0.71 -0.76 0.00 0.00 175.35 175.50 1x0h s TYR 12 N 1.70 -0.60 0.74 3.18 2.02 -1.24 -5.02 117.35 118.13 1x0h s TYR 12 Ca 0.04 1.26 -0.11 0.00 -0.37 0.00 0.00 57.07 57.89 1x0h s TYR 12 Cb -0.13 0.23 0.03 0.00 -0.40 0.00 0.00 41.96 41.70 1x0h s TYR 12 CO -0.08 -0.36 1.08 0.95 -1.57 0.00 0.00 175.55 175.58 1x0h s THR 13 N 1.64 3.54 0.37 -0.71 -4.23 -1.26 -1.27 115.64 113.71 1x0h s THR 13 Ca -0.08 0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 1x0h s THR 13 Cb -0.09 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.68 1x0h s THR 13 CO -0.12 -0.65 1.99 0.00 -0.54 0.00 0.00 174.62 175.30 1x0h h ALA 14 N -0.85 1.56 -0.30 3.99 0.00 0.05 -1.87 119.26 121.84 1x0h h ALA 14 Ca -0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1x0h h ALA 14 Cb 1.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1x0h h ALA 14 CO 0.60 0.37 0.09 0.00 0.00 0.00 0.00 179.25 180.30 1x0h h ALA 15 N 1.63 1.60 0.57 0.00 0.00 -1.82 0.99 119.26 122.23 1x0h h ALA 15 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x0h h ALA 15 Cb 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1x0h h ALA 15 CO -0.03 0.31 -0.27 0.00 0.00 0.00 0.00 179.25 179.26 1x0h h ARG 16 N 0.42 -0.73 -0.13 0.00 2.47 -1.68 -0.42 114.38 114.31 1x0h h ARG 16 Ca 0.10 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1x0h h ARG 16 Cb 0.14 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1x0h h ARG 16 CO -0.01 -0.49 0.08 -0.07 0.56 0.00 0.00 179.97 180.04 1x0h h LEU 17 N -1.18 0.15 -0.13 3.04 3.38 -1.46 -0.98 115.31 118.12 1x0h h LEU 17 Ca -0.08 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1x0h h LEU 17 Cb 0.58 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1x0h h LEU 17 CO 0.13 0.11 -0.20 -0.74 0.09 0.00 0.00 178.44 177.83 1x0h h HIS 18 N 0.17 0.45 -0.30 1.13 2.76 -0.80 0.15 115.15 118.71 1x0h h HIS 18 Ca 0.05 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.04 1x0h h HIS 18 Cb -0.01 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1x0h h HIS 18 CO 0.00 0.81 0.10 0.93 -1.30 0.00 0.00 177.93 178.47 1x0h h GLU 19 N -0.04 0.47 -0.27 5.26 4.39 -0.57 -2.69 114.58 121.13 1x0h h GLU 19 Ca 0.01 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1x0h h GLU 19 Cb 0.77 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1x0h h GLU 19 CO 0.05 0.51 0.17 0.87 -1.16 0.00 0.00 179.01 179.44 1x0h h LYS 20 N 0.33 0.36 0.00 2.33 1.57 -1.25 -3.46 116.57 116.45 1x0h h LYS 20 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x0h h LYS 20 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1x0h h LYS 20 CO -0.00 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 1x0h n GLY 21 N -1.46 2.10 0.15 3.86 0.00 -0.91 -5.02 105.19 103.91 1x0h n GLY 21 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.68 1.61 2.07 -1.22 -3.42 116.25 111.61 1x0h h VAL 22 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 1x0h h VAL 22 Cb 0.00 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 29.81 1x0h h VAL 22 CO 0.00 0.00 0.62 -0.22 0.02 0.00 0.00 177.57 177.99 1x0h s LEU 23 N -6.16 4.45 0.00 2.57 2.96 0.32 -0.64 118.68 122.18 1x0h s LEU 23 Ca -0.05 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 1x0h s LEU 23 Cb 0.01 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1x0h s LEU 23 CO 0.18 -0.46 0.00 0.18 -1.32 0.00 0.00 176.35 174.93 1x0h n LEU 24 N 1.55 0.05 0.00 -0.68 4.77 0.32 -4.29 117.00 118.71 1x0h n LEU 24 Ca 0.02 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1x0h n LEU 24 Cb 0.43 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1x0h n LEU 24 CO 0.58 -0.37 0.46 -0.62 -1.33 0.00 0.00 177.39 176.11 1x0h n GLU 25 N -2.21 1.06 -3.82 3.23 1.02 -1.11 -5.02 120.64 113.79 1x0h n GLU 25 Ca 0.00 -2.36 -0.14 0.00 -0.02 0.00 0.00 57.16 54.65 1x0h n GLU 25 Cb 0.00 2.78 -0.15 0.00 -0.02 0.00 0.00 31.44 34.05 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 -2.24 -0.02 -0.83 -3.67 1.01 -1.26 -0.11 121.20 114.08 1x0h s ILE 26 Ca 0.19 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 1x0h s ILE 26 Cb -0.04 -0.06 -0.01 0.00 0.01 0.00 0.00 42.46 42.36 1x0h s ILE 26 CO 0.14 0.05 2.84 -0.62 0.00 0.00 0.00 174.94 177.36 1x0h n GLU 27 N 3.71 3.24 0.00 2.79 -0.58 -0.99 -3.81 120.64 124.99 1x0h n GLU 27 Ca -0.21 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.11 1x0h n GLU 27 Cb 0.54 -2.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 1x0h n GLU 27 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1x0h n ASP 28 N 1.88 0.00 -4.66 1.62 8.00 -1.26 -4.91 116.55 117.21 1x0h n ASP 28 Ca 0.57 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.75 1x0h n ASP 28 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x0h s LEU 29 N -1.36 3.42 0.50 0.64 2.01 -1.25 -5.13 118.68 117.51 1x0h s LEU 29 Ca 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.06 1x0h s LEU 29 Cb 0.00 -2.02 0.01 0.00 0.01 0.00 0.00 46.19 44.19 1x0h s LEU 29 CO 0.00 0.25 0.73 -1.10 1.01 0.00 0.00 176.35 177.24 1x0h s GLN 30 N -1.74 2.87 0.54 1.70 -0.21 -1.26 -4.30 119.66 117.26 1x0h s GLN 30 Ca 0.21 -0.55 0.24 0.00 0.02 0.00 0.00 55.36 55.27 1x0h s GLN 30 Cb -0.11 -2.51 1.43 0.00 1.00 0.00 0.00 33.01 32.82 1x0h s GLN 30 CO 0.12 -0.46 2.07 0.28 -2.12 0.00 0.00 175.29 175.18 1x0h h VAL 31 N 0.23 0.74 0.00 1.09 2.07 -1.99 0.71 116.25 119.10 1x0h h VAL 31 Ca -0.45 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1x0h h VAL 31 Cb 1.27 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1x0h h VAL 31 CO 0.56 0.00 -0.58 -0.55 0.02 0.00 0.00 177.57 177.02 1x0h h ASN 32 N 0.00 0.00 1.54 0.57 -1.07 -2.04 -2.97 115.58 111.60 1x0h h ASN 32 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.50 1x0h h ASN 32 Cb 0.57 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1x0h h ASN 32 CO -0.00 0.58 -0.12 1.56 0.07 0.00 0.00 177.43 179.51 1x0h h GLN 33 N 0.00 0.00 -0.92 4.14 4.20 -1.24 -3.30 115.11 117.99 1x0h h GLN 33 Ca -0.01 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.97 1x0h h GLN 33 Cb 1.12 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1x0h h GLN 33 CO 0.08 0.00 0.66 0.74 -0.67 0.00 0.00 178.83 179.63 1x0h h PHE 34 N 0.00 0.04 -0.09 2.96 -1.00 -1.28 0.48 116.94 118.05 1x0h h PHE 34 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1x0h h PHE 34 Cb 0.83 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 1x0h h PHE 34 CO 0.00 0.01 -0.18 0.87 -1.61 0.00 0.00 178.31 177.40 1x0h h LYS 35 N 0.03 0.15 -0.99 1.51 1.79 -1.77 -2.16 116.57 115.13 1x0h h LYS 35 Ca 0.44 -0.04 -0.51 0.00 -2.18 0.00 0.00 60.65 58.37 1x0h h LYS 35 Cb 1.72 -0.02 -0.30 0.00 -1.58 0.00 0.00 32.23 32.05 1x0h h LYS 35 CO -0.02 0.34 0.64 0.27 -1.08 0.00 0.00 179.45 179.60 1x0h n ASN 36 N -4.26 3.80 -3.77 0.86 0.23 0.17 -4.80 115.26 107.49 1x0h n ASN 36 Ca -0.01 -3.59 -0.30 0.00 -0.53 0.00 0.00 54.58 50.15 1x0h n ASN 36 Cb 0.29 -0.84 -0.15 0.00 -2.08 0.00 0.00 39.78 37.00 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 -3.28 1.05 -0.17 3.53 1.01 -0.83 -4.94 120.40 116.76 1x0h s VAL 37 Ca 0.57 -1.51 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1x0h s VAL 37 Cb 0.48 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1x0h s VAL 37 CO 0.11 -0.66 0.18 -0.51 0.00 0.00 0.00 175.10 174.21 1x0h s ILE 38 N 1.53 5.40 -0.44 2.22 1.10 -1.26 0.23 121.20 129.97 1x0h s ILE 38 Ca 0.10 0.29 -0.08 0.00 -0.51 0.00 0.00 60.65 60.45 1x0h s ILE 38 Cb -0.17 -3.50 0.10 0.00 0.15 0.00 0.00 42.46 39.04 1x0h s ILE 38 CO -0.23 0.47 0.30 -0.36 -2.11 0.00 0.00 174.94 173.01 1x0h s PHE 39 N 0.05 3.41 -0.25 3.50 0.08 -0.40 -4.05 117.98 120.32 1x0h s PHE 39 Ca 0.12 -1.82 -0.25 0.00 0.12 0.00 0.00 56.93 55.09 1x0h s PHE 39 Cb -0.12 -3.27 -0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1x0h s PHE 39 CO 0.01 -0.94 0.85 -2.00 -0.10 0.00 0.00 175.22 173.03 1x0h s GLU 40 N 1.36 4.17 -0.31 0.44 2.12 -1.01 -3.65 118.70 121.81 1x0h s GLU 40 Ca 0.05 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.32 1x0h s GLU 40 Cb -0.25 -3.65 0.06 0.00 0.26 0.00 0.00 34.13 30.55 1x0h s GLU 40 CO -0.00 -0.55 0.01 0.42 -0.54 0.00 0.00 175.26 174.60 1x0h s ILE 41 N 2.90 2.84 -0.29 -3.70 1.01 -1.04 -0.72 121.20 122.19 1x0h s ILE 41 Ca 0.35 -1.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.20 1x0h s ILE 41 Cb -0.15 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1x0h s ILE 41 CO 0.08 -0.22 0.64 -0.44 0.00 0.00 0.00 174.94 175.00 1x0h s SER 42 N 1.28 6.53 1.16 3.58 0.01 0.12 -1.71 113.70 124.67 1x0h s SER 42 Ca -0.03 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.59 1x0h s SER 42 Cb -0.20 -2.34 0.27 0.00 0.21 0.00 0.00 66.02 63.96 1x0h s SER 42 CO -0.03 -0.46 1.13 -2.16 0.41 0.00 0.00 173.24 172.13 1x0h s PRO 43 N 2.60 -0.86 0.31 12.44 0.04 -1.26 -1.89 135.00 146.38 1x0h s PRO 43 Ca 0.26 -0.03 0.03 0.00 0.04 0.00 0.00 61.00 61.30 1x0h s PRO 43 Cb -0.15 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 1x0h s PRO 43 CO 0.11 -3.48 0.08 0.95 0.04 0.00 0.00 177.00 174.70 1x0h s THR 44 N -3.08 0.87 0.21 1.26 -4.23 -1.26 -4.78 115.64 104.63 1x0h s THR 44 Ca 0.70 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1x0h s THR 44 Cb -0.10 -2.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.96 1x0h s THR 44 CO 0.56 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 176.05 1x0h h GLU 45 N 2.19 0.11 -6.58 3.99 4.81 -1.99 -3.45 114.58 113.66 1x0h h GLU 45 Ca -0.39 -0.10 -0.44 0.00 -0.13 0.00 0.00 59.36 58.30 1x0h h GLU 45 Cb 1.25 0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.68 1x0h h GLU 45 CO 0.64 0.80 -0.18 -1.21 -0.73 0.00 0.00 179.01 178.34 1x0h s GLU 46 N -3.41 2.91 -0.17 1.92 8.01 -1.26 -5.07 118.70 121.62 1x0h s GLU 46 Ca -0.02 -0.85 -0.08 0.00 0.01 0.00 0.00 54.97 54.03 1x0h s GLU 46 Cb 0.11 -2.65 -0.05 0.00 -4.31 0.00 0.00 34.13 27.24 1x0h s GLU 46 CO 0.80 -0.29 0.11 0.54 0.01 0.00 0.00 175.26 176.43 1x0h s VAL 47 N -2.46 5.25 0.00 2.63 0.11 -1.26 -4.44 120.40 120.23 1x0h s VAL 47 Ca 0.51 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1x0h s VAL 47 Cb -0.10 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1x0h s VAL 47 CO 0.35 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 173.22 1x0h n GLY 48 N 3.15 3.09 3.68 6.54 0.00 -1.26 -5.07 105.19 115.32 1x0h n GLY 48 Ca -0.17 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1x0h n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0h s ASP 49 N 0.00 6.43 0.17 1.61 2.15 -1.26 -2.05 116.67 123.72 1x0h s ASP 49 Ca 0.00 0.51 0.09 0.00 0.43 0.00 0.00 52.55 53.58 1x0h s ASP 49 Cb 0.00 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.36 1x0h s ASP 49 CO 0.00 -0.03 -0.19 -0.36 -0.17 0.00 0.00 175.17 174.42 1x0h s PHE 50 N 1.10 1.88 -0.35 -5.34 0.08 -1.19 -4.32 117.98 109.84 1x0h s PHE 50 Ca 0.18 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1x0h s PHE 50 Cb -0.14 -0.94 0.09 0.00 -0.57 0.00 0.00 43.02 41.46 1x0h s PHE 50 CO 0.07 0.35 0.07 -1.21 -0.10 0.00 0.00 175.22 174.41 1x0h s GLU 51 N -2.77 1.89 0.35 0.44 2.02 -0.79 -1.88 118.70 117.95 1x0h s GLU 51 Ca 0.16 -1.70 -0.05 0.00 0.02 0.00 0.00 54.97 53.40 1x0h s GLU 51 Cb -0.06 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 1x0h s GLU 51 CO 0.07 -0.89 0.63 0.08 0.02 0.00 0.00 175.26 175.17 1x0h s VAL 52 N 1.06 4.97 -0.11 2.63 1.01 0.10 0.14 120.40 130.20 1x0h s VAL 52 Ca 0.05 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 1x0h s VAL 52 Cb -0.20 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x0h s VAL 52 CO -0.05 -0.46 0.38 -0.75 0.00 0.00 0.00 175.10 174.22 1x0h s LYS 53 N -3.87 0.53 -0.29 2.72 2.47 0.10 -0.14 119.74 121.26 1x0h s LYS 53 Ca 0.45 0.36 -0.03 0.00 -1.56 0.00 0.00 55.97 55.19 1x0h s LYS 53 Cb -0.10 0.25 0.10 0.00 -1.46 0.00 0.00 37.83 36.61 1x0h s LYS 53 CO 0.33 -0.10 0.11 0.00 0.16 0.00 0.00 175.35 175.86 1x0h s ALA 54 N -0.21 0.88 0.31 3.13 0.00 -1.26 -2.41 121.76 122.20 1x0h s ALA 54 Ca -0.04 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1x0h s ALA 54 Cb -0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1x0h s ALA 54 CO 0.02 -1.61 0.34 -1.59 0.00 0.00 0.00 175.76 172.92 1x0h s LYS 55 N 1.96 1.70 -0.11 0.00 0.00 -1.26 -5.07 119.74 116.96 1x0h s LYS 55 Ca 0.08 -1.80 -0.10 0.00 0.00 0.00 0.00 55.97 54.15 1x0h s LYS 55 Cb -0.16 0.37 -0.05 0.00 0.00 0.00 0.00 37.83 37.99 1x0h s LYS 55 CO -0.31 -0.66 -0.22 1.19 0.00 0.00 0.00 175.35 175.35 1x0h n PHE 56 N -0.52 0.00 -0.01 1.78 3.72 -1.26 -4.25 117.46 116.92 1x0h n PHE 56 Ca 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1x0h n PHE 56 Cb 0.63 -0.41 -0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1x0h n PHE 56 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1x0h h MET 57 N -0.62 0.00 0.00 -1.08 4.05 -1.99 -3.48 114.93 111.82 1x0h h MET 57 Ca -0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1x0h h MET 57 Cb 0.88 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1x0h h MET 57 CO -0.09 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.46 1x0h n GLY 58 N 1.89 -1.03 3.49 1.39 0.00 -1.26 -5.10 105.19 104.57 1x0h n GLY 58 Ca -0.00 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 4.49 -1.15 1.61 -7.23 -1.26 -4.95 120.40 111.92 1x0h s VAL 59 Ca 0.00 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 58.62 1x0h s VAL 59 Cb 0.00 -4.87 0.13 0.00 0.56 0.00 0.00 36.38 32.20 1x0h s VAL 59 CO 0.00 -1.65 1.42 -1.10 -0.31 0.00 0.00 175.10 173.46 1x0h s GLN 60 N 3.34 3.92 -0.02 4.82 1.11 -1.26 -4.57 119.66 127.00 1x0h s GLN 60 Ca 0.37 -2.17 -0.01 0.00 0.01 0.00 0.00 55.36 53.56 1x0h s GLN 60 Cb -0.03 -5.14 -0.01 0.00 -1.01 0.00 0.00 33.01 26.82 1x0h s GLN 60 CO -0.09 -1.89 -0.03 -1.33 0.01 0.00 0.00 175.29 171.96 1x0h n MET 61 N 6.61 0.05 -3.69 2.91 2.81 -1.26 -5.05 117.12 119.50 1x0h n MET 61 Ca 0.36 0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 56.10 1x0h n MET 61 Cb 0.45 -0.71 -0.15 0.00 -0.71 0.00 0.00 33.22 32.10 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 -2.04 0.04 -0.04 0.03 2.02 -1.26 -5.15 118.70 112.29 1x0h s GLU 62 Ca -0.03 0.48 -0.02 0.00 0.02 0.00 0.00 54.97 55.42 1x0h s GLU 62 Cb 0.01 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.94 1x0h s GLU 62 CO 0.04 -0.27 0.10 0.95 0.02 0.00 0.00 175.26 176.10 1x0h s THR 63 N 1.94 4.94 0.50 3.63 -4.23 -1.26 -4.97 115.64 116.18 1x0h s THR 63 Ca -0.01 -0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.10 1x0h s THR 63 Cb -0.12 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.42 1x0h s THR 63 CO -0.05 0.44 0.99 0.12 -0.54 0.00 0.00 174.62 175.58 1x0h s PHE 64 N -1.14 3.28 -0.27 3.99 5.36 0.80 -4.85 117.98 125.16 1x0h s PHE 64 Ca 0.21 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.68 1x0h s PHE 64 Cb -0.12 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.72 1x0h s PHE 64 CO 0.11 -0.47 -0.02 -1.64 -1.46 0.00 0.00 175.22 171.74 1x0h s MET 65 N -3.70 2.72 -0.44 10.12 -1.94 -1.26 0.01 119.30 124.80 1x0h s MET 65 Ca 0.62 -1.07 -0.16 0.00 -1.71 0.00 0.00 55.69 53.37 1x0h s MET 65 Cb -0.11 -3.11 0.04 0.00 2.01 0.00 0.00 34.83 33.66 1x0h s MET 65 CO 0.25 -0.49 0.39 -1.17 -0.01 0.00 0.00 175.02 173.99 1x0h s LEU 66 N 1.32 5.25 -0.05 -0.03 2.96 -0.79 -4.96 118.68 122.38 1x0h s LEU 66 Ca -0.01 -1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 52.57 1x0h s LEU 66 Cb -0.18 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1x0h s LEU 66 CO -0.02 -0.58 1.23 -1.00 -1.32 0.00 0.00 176.35 174.65 1x0h s HIS 67 N 1.82 3.14 0.50 5.38 3.76 -1.26 -3.14 115.29 125.48 1x0h s HIS 67 Ca 0.07 1.16 0.15 0.00 -0.15 0.00 0.00 55.06 56.29 1x0h s HIS 67 Cb -0.21 -3.45 1.18 0.00 1.11 0.00 0.00 32.58 31.21 1x0h s HIS 67 CO 0.09 -1.46 2.10 -0.92 -0.85 0.00 0.00 174.74 173.71 1x0h h TYR 68 N 7.53 0.01 -0.62 1.40 3.20 -1.82 -2.37 116.97 124.29 1x0h h TYR 68 Ca -0.34 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.55 1x0h h TYR 68 Cb 1.16 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 1x0h h TYR 68 CO 0.74 0.06 0.39 1.96 -1.64 0.00 0.00 178.16 179.66 1x0h h GLN 69 N 0.01 0.75 -0.88 1.82 7.50 -1.91 -2.09 115.11 120.31 1x0h h GLN 69 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1x0h h GLN 69 Cb 0.09 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.41 1x0h h GLN 69 CO 0.01 0.49 0.56 -0.44 -1.50 0.00 0.00 178.83 177.95 1x0h h ASP 70 N 0.77 1.04 -0.75 1.46 3.32 -1.83 0.44 116.42 120.87 1x0h h ASP 70 Ca 0.24 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1x0h h ASP 70 Cb -0.01 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1x0h h ASP 70 CO -0.09 0.77 0.36 -0.07 -1.72 0.00 0.00 179.24 178.49 1x0h h LEU 71 N 1.21 0.99 0.11 1.55 3.38 -1.38 -1.71 115.31 119.47 1x0h h LEU 71 Ca 0.32 -0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.90 1x0h h LEU 71 Cb -0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1x0h h LEU 71 CO -0.06 0.84 -1.30 -0.07 0.09 0.00 0.00 178.44 177.94 1x0h h LEU 72 N 1.09 0.38 -1.56 1.67 3.38 -0.88 -3.28 115.31 116.10 1x0h h LEU 72 Ca 0.26 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1x0h h LEU 72 Cb 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1x0h h LEU 72 CO -0.03 1.35 -0.01 -0.61 0.09 0.00 0.00 178.44 179.22 1x0h h GLN 73 N 0.07 0.26 -0.36 1.13 4.15 0.12 -2.17 115.11 118.31 1x0h h GLN 73 Ca -0.15 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.10 1x0h h GLN 73 Cb 1.97 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.60 1x0h h GLN 73 CO 0.19 0.30 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.04 1x0h h LEU 74 N 0.26 0.79 -0.81 -2.39 3.38 -1.38 -2.34 115.31 112.81 1x0h h LEU 74 Ca 0.06 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1x0h h LEU 74 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1x0h h LEU 74 CO 0.01 1.02 -0.49 1.56 0.09 0.00 0.00 178.44 180.63 1x0h h GLN 75 N 0.65 0.26 -0.22 1.13 4.20 -1.48 0.10 115.11 119.75 1x0h h GLN 75 Ca 0.08 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 1x0h h GLN 75 Cb 0.80 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1x0h h GLN 75 CO 0.07 0.69 -0.48 -0.92 -0.67 0.00 0.00 178.83 177.52 1x0h h TYR 76 N 0.21 0.72 0.00 2.96 3.20 -1.24 -3.31 116.97 119.52 1x0h h TYR 76 Ca 0.01 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 1x0h h TYR 76 Cb 0.94 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1x0h h TYR 76 CO 0.02 0.96 -0.00 0.93 -1.64 0.00 0.00 178.16 178.42 1x0h h GLU 77 N 0.47 -0.01 0.00 1.82 5.08 -1.30 -3.49 114.58 117.15 1x0h h GLU 77 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x0h h GLU 77 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1x0h h GLU 77 CO 0.09 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.19 1x0h n GLY 78 N 1.62 0.27 3.13 -3.84 0.00 0.18 -5.11 105.19 101.45 1x0h n GLY 78 Ca -0.07 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N 0.00 1.72 -0.19 1.61 1.01 -0.17 -5.00 120.40 119.38 1x0h s VAL 79 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 61.98 61.30 1x0h s VAL 79 Cb 0.00 -1.52 -0.20 0.00 0.00 0.00 0.00 36.38 34.66 1x0h s VAL 79 CO 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 175.10 175.58 1x0h n ALA 80 N 3.84 1.55 -2.84 5.51 0.00 -1.26 -4.48 120.51 122.83 1x0h n ALA 80 Ca -0.20 -1.11 -0.35 0.00 0.00 0.00 0.00 53.44 51.77 1x0h n ALA 80 Cb 0.52 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.43 5.20 0.14 0.00 1.01 -1.26 -1.74 120.40 121.31 1x0h s VAL 81 Ca -0.14 -0.05 0.11 0.00 0.00 0.00 0.00 61.98 61.90 1x0h s VAL 81 Cb 0.06 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1x0h s VAL 81 CO 0.67 0.50 -0.26 -0.32 0.00 0.00 0.00 175.10 175.69 1x0h s MET 82 N -1.36 1.38 -0.48 2.72 1.75 0.00 -4.88 119.30 118.43 1x0h s MET 82 Ca 0.19 -1.35 -0.07 0.00 -1.25 0.00 0.00 55.69 53.21 1x0h s MET 82 Cb -0.12 -1.83 0.12 0.00 2.84 0.00 0.00 34.83 35.85 1x0h s MET 82 CO 0.09 0.43 0.34 0.21 -0.65 0.00 0.00 175.02 175.43 1x0h s LYS 83 N -2.14 2.41 -0.19 4.11 2.47 -1.26 -2.94 119.74 122.20 1x0h s LYS 83 Ca 0.14 -1.87 -0.07 0.00 -1.56 0.00 0.00 55.97 52.61 1x0h s LYS 83 Cb -0.10 -3.85 -0.04 0.00 -1.46 0.00 0.00 37.83 32.39 1x0h s LYS 83 CO 0.06 -1.17 0.04 -0.51 0.16 0.00 0.00 175.35 173.94 1x0h s LEU 84 N 1.15 3.63 -2.07 5.43 1.43 0.28 -4.39 118.68 124.13 1x0h s LEU 84 Ca 0.08 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1x0h s LEU 84 Cb -0.24 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1x0h s LEU 84 CO -0.02 0.13 0.00 0.49 0.23 0.00 0.00 176.35 177.18 1x0h n PHE 85 N 3.81 -0.26 -2.42 0.29 3.72 -1.26 -0.89 117.46 120.46 1x0h n PHE 85 Ca -0.17 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.09 1x0h n PHE 85 Cb 0.52 -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 -3.47 -0.05 0.00 0.00 176.76 173.24 1x0h n ASP 86 N -1.48 -4.46 0.11 4.37 -0.08 -1.26 -4.57 116.55 109.18 1x0h n ASP 86 Ca -0.22 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1x0h n ASP 86 Cb 0.68 -3.77 0.00 0.00 2.34 0.00 0.00 41.12 40.37 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1x0h n ARG 87 N -2.85 0.00 -1.91 -0.67 1.74 -0.76 -4.89 116.66 107.31 1x0h n ARG 87 Ca -0.17 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 1x0h n ARG 87 Cb 0.63 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.04 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 -1.60 3.63 -0.26 7.54 0.00 -0.06 -2.35 121.76 128.64 1x0h s ALA 88 Ca 0.00 1.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 1x0h s ALA 88 Cb 0.00 -3.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1x0h s ALA 88 CO 0.00 -1.35 0.07 0.15 0.00 0.00 0.00 175.76 174.63 1x0h s LYS 89 N 3.73 3.43 0.18 0.00 1.02 0.85 -0.56 119.74 128.39 1x0h s LYS 89 Ca 0.77 -0.63 0.09 0.00 0.02 0.00 0.00 55.97 56.22 1x0h s LYS 89 Cb -0.37 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1x0h s LYS 89 CO 0.33 -0.28 -0.08 0.08 -0.92 0.00 0.00 175.35 174.48 1x0h s VAL 90 N 1.57 3.26 -0.39 3.17 1.01 -1.15 -0.52 120.40 127.34 1x0h s VAL 90 Ca 0.05 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.18 1x0h s VAL 90 Cb -0.16 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1x0h s VAL 90 CO 0.03 -0.13 0.63 0.21 0.00 0.00 0.00 175.10 175.84 1x0h s ASN 91 N -2.89 6.37 0.51 3.32 2.47 0.19 -0.82 114.94 124.09 1x0h s ASN 91 Ca 0.26 -0.08 0.24 0.00 0.42 0.00 0.00 52.86 53.69 1x0h s ASN 91 Cb -0.09 -2.32 1.35 0.00 -1.45 0.00 0.00 41.25 38.75 1x0h s ASN 91 CO 0.16 -0.66 2.07 0.58 -3.72 0.00 0.00 177.10 175.52 1x0h h VAL 92 N 5.76 0.73 0.00 -5.21 2.07 -1.63 0.94 116.25 118.91 1x0h h VAL 92 Ca -0.26 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1x0h h VAL 92 Cb 1.11 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1x0h h VAL 92 CO 0.85 0.12 -0.36 0.78 0.02 0.00 0.00 177.57 178.99 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 4.21 -1.85 -3.15 115.58 115.36 1x0h h ASN 93 Ca -0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 1x0h h ASN 93 Cb 0.30 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 1x0h h ASN 93 CO 0.02 0.36 -1.75 0.18 -1.29 0.00 0.00 177.43 174.95 1x0h n LEU 94 N -4.06 0.00 -0.17 1.61 4.77 -0.79 -4.30 117.00 114.06 1x0h n LEU 94 Ca -0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1x0h n LEU 94 Cb 0.40 0.20 0.41 0.00 -2.33 0.00 0.00 43.42 42.10 1x0h n LEU 94 CO 0.38 0.20 1.21 0.25 -1.33 0.00 0.00 177.39 178.10 1x0h h LEU 95 N 0.00 0.56 0.00 2.23 5.85 0.86 -0.89 115.31 123.93 1x0h h LEU 95 Ca -0.22 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 1x0h h LEU 95 Cb 1.37 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1x0h h LEU 95 CO 0.01 0.34 -1.04 0.40 -0.34 0.00 0.00 178.44 177.81 1x0h h ILE 96 N 0.63 1.58 0.02 4.05 2.04 -1.78 -3.21 117.51 120.85 1x0h h ILE 96 Ca 0.33 -3.29 -0.00 0.00 1.00 0.00 0.00 64.86 62.90 1x0h h ILE 96 Cb 0.44 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1x0h h ILE 96 CO -0.11 0.90 -0.01 0.15 0.00 0.00 0.00 178.15 179.08 1x0h h PHE 97 N 0.00 -0.02 -1.01 1.37 3.04 -1.39 0.20 116.94 119.13 1x0h h PHE 97 Ca -0.04 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.94 1x0h h PHE 97 Cb 1.77 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 40.23 1x0h h PHE 97 CO 0.00 0.22 0.66 1.25 -2.02 0.00 0.00 178.31 178.42 1x0h h LEU 98 N -0.27 1.11 -0.51 0.59 5.85 -1.44 -1.58 115.31 119.07 1x0h h LEU 98 Ca -0.00 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1x0h h LEU 98 Cb 0.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1x0h h LEU 98 CO 0.00 0.78 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.37 1x0h h LEU 99 N 1.30 0.00 -2.15 2.25 3.38 -1.53 -0.70 115.31 117.86 1x0h h LEU 99 Ca 0.39 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.43 1x0h h LEU 99 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1x0h h LEU 99 CO -0.11 0.44 0.22 -1.13 0.09 0.00 0.00 178.44 177.94 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 0.46 0.10 115.58 114.98 1x0h h ASN 100 Ca -0.00 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 1x0h h ASN 100 Cb 1.13 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.70 1x0h h ASN 100 CO 0.06 0.00 -1.34 1.17 -0.37 0.00 0.00 177.43 176.95 1x0h n LYS 101 N -3.99 2.14 0.00 6.67 4.81 -1.19 -4.22 118.16 122.37 1x0h n LYS 101 Ca 0.03 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1x0h n LYS 101 Cb 0.36 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.28 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 -2.36 0.00 0.01 1.64 4.76 -0.27 -4.37 118.16 117.57 1x0h n LYS 102 Ca -0.09 0.39 -0.20 0.00 -2.87 0.00 0.00 58.31 55.55 1x0h n LYS 102 Cb 0.64 -1.30 -0.14 0.00 -1.84 0.00 0.00 35.03 32.39 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 0.40 -2.12 2.13 -1.00 -1.67 -3.45 116.94 111.22 1x0h h PHE 103 Ca 0.00 -0.29 -0.59 0.00 2.81 0.00 0.00 57.97 59.89 1x0h h PHE 103 Cb 0.00 -0.02 0.02 0.00 3.61 0.00 0.00 35.95 39.56 1x0h h PHE 103 CO 0.15 1.33 1.13 0.66 -1.61 0.00 0.00 178.31 179.97 1x0h n TYR 104 N -4.17 2.38 0.00 -0.55 4.02 0.31 -3.66 117.16 115.49 1x0h n TYR 104 Ca -0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 1x0h n TYR 104 Cb 0.78 -2.70 0.00 0.00 -0.02 0.00 0.00 39.34 37.40 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 4.42 2.55 5.13 2.72 0.00 -1.26 -4.36 105.19 114.39 1x0h n GLY 105 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -2.52 1.61 4.76 -1.24 -4.66 118.16 116.10 1x0h n LYS 106 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1x0h n LYS 106 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1x0h n LYS 106 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x0h n SER 107 N 1.46 -4.70 0.00 4.39 2.88 -1.26 -4.90 113.62 111.48 1x0h n SER 107 Ca 0.00 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1x0h n SER 107 Cb 0.00 -3.71 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 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 -1.15 1.92 3.52 0.46 0.00 -1.26 -5.13 105.19 103.55 1x0h n GLY 108 Ca -0.14 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 0.17 -4.52 1.61 -0.02 -1.26 -5.03 135.00 125.96 1x0h n PRO 109 Ca 0.00 0.11 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 1x0h n PRO 109 Cb 0.00 -2.01 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 1x0h n PRO 109 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1x0h s SER 110 N -1.74 1.41 -0.13 2.55 1.04 -1.26 -5.10 113.70 110.48 1x0h s SER 110 Ca 0.66 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 1x0h s SER 110 Cb -0.31 -0.24 0.06 0.00 0.10 0.00 0.00 66.02 65.63 1x0h s SER 110 CO 0.58 0.12 0.26 -0.94 0.98 0.00 0.00 173.24 174.24 1x0h s SER 111 N -0.11 0.35 0.00 7.02 1.04 -1.26 -5.29 113.70 115.45 1x0h s SER 111 Ca 0.02 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1x0h s SER 111 Cb -0.06 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1x0h s SER 111 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59