#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 -0.87 -0.02 1.61 0.01 -1.26 -5.05 113.70 108.11 1x0h s SER 2 Ca 0.00 1.45 -0.17 0.00 1.31 0.00 0.00 55.95 58.54 1x0h s SER 2 Cb 0.00 1.39 -0.33 0.00 0.21 0.00 0.00 66.02 67.29 1x0h s SER 2 CO 0.00 -0.23 0.88 -1.28 0.41 0.00 0.00 173.24 173.01 1x0h h SER 3 N 6.49 0.65 0.00 2.44 0.87 -2.11 -3.46 113.55 118.42 1x0h h SER 3 Ca -0.30 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.34 1x0h h SER 3 Cb 1.21 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1x0h h SER 3 CO 0.14 1.61 0.00 0.61 -0.53 0.00 0.00 176.83 178.66 1x0h n GLY 4 N 1.72 0.49 3.55 5.77 0.00 -1.26 -5.16 105.19 110.30 1x0h n GLY 4 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.69 -0.05 1.61 2.88 -1.26 -5.10 113.62 110.01 1x0h n SER 5 Ca 0.00 -2.83 -0.00 0.00 -1.33 0.00 0.00 58.87 54.71 1x0h n SER 5 Cb 0.00 3.01 -0.00 0.00 -0.75 0.00 0.00 64.21 66.47 1x0h n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x0h h SER 6 N 2.01 0.00 -0.05 -3.46 0.02 -2.02 -3.51 113.55 106.54 1x0h h SER 6 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1x0h h SER 6 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1x0h h SER 6 CO 0.39 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 1x0h n GLY 7 N 1.78 0.90 3.89 -3.77 0.00 -1.26 -5.16 105.19 101.56 1x0h n GLY 7 Ca -0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.15 4.86 0.01 -0.61 1.09 -1.26 -5.09 121.20 118.06 1x0h s ILE 8 Ca 0.00 0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.85 1x0h s ILE 8 Cb 0.00 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1x0h s ILE 8 CO 0.00 -0.74 0.14 -0.44 -0.10 0.00 0.00 174.94 173.80 1x0h s SER 9 N -3.77 0.04 0.15 3.58 0.01 -1.26 -4.37 113.70 108.08 1x0h s SER 9 Ca 0.49 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 57.22 1x0h s SER 9 Cb -0.10 0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.27 1x0h s SER 9 CO 0.40 -0.41 0.85 -0.76 0.41 0.00 0.00 173.24 173.73 1x0h s LEU 10 N -1.55 4.56 -0.28 2.44 1.43 -1.11 -4.97 118.68 119.20 1x0h s LEU 10 Ca -0.13 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1x0h s LEU 10 Cb -0.06 -3.42 0.09 0.00 0.03 0.00 0.00 46.19 42.83 1x0h s LEU 10 CO 0.00 0.11 0.05 -0.54 0.23 0.00 0.00 176.35 176.20 1x0h s LYS 11 N -0.74 1.04 0.01 1.70 -0.14 -1.26 -2.57 119.74 117.76 1x0h s LYS 11 Ca 0.40 -1.12 0.03 0.00 -1.36 0.00 0.00 55.97 53.92 1x0h s LYS 11 Cb -0.23 -2.35 -0.01 0.00 -1.68 0.00 0.00 37.83 33.56 1x0h s LYS 11 CO 0.28 -0.85 -0.09 0.71 -0.76 0.00 0.00 175.35 174.64 1x0h s TYR 12 N 1.47 0.80 0.79 3.18 2.02 -1.16 -5.00 117.35 119.45 1x0h s TYR 12 Ca 0.05 -0.21 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1x0h s TYR 12 Cb -0.18 -0.50 0.13 0.00 -0.40 0.00 0.00 41.96 41.00 1x0h s TYR 12 CO -0.16 -0.01 1.10 0.95 -1.57 0.00 0.00 175.55 175.86 1x0h s THR 13 N -0.41 2.15 0.21 -0.71 -4.23 -1.26 0.44 115.64 111.82 1x0h s THR 13 Ca 0.02 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1x0h s THR 13 Cb -0.05 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 1x0h s THR 13 CO -0.00 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.56 1x0h h ALA 14 N -0.90 0.72 -0.77 3.99 0.00 -0.88 -3.17 119.26 118.25 1x0h h ALA 14 Ca -0.42 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 53.81 1x0h h ALA 14 Cb 1.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1x0h h ALA 14 CO 0.46 0.92 0.48 0.00 0.00 0.00 0.00 179.25 181.11 1x0h h ALA 15 N 1.19 1.38 0.22 0.00 0.00 -1.82 0.12 119.26 120.36 1x0h h ALA 15 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1x0h h ALA 15 Cb 1.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1x0h h ALA 15 CO 0.10 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 1x0h h ARG 16 N 1.06 -0.29 -0.18 0.00 2.47 -1.89 -1.64 114.38 113.91 1x0h h ARG 16 Ca 0.28 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.04 1x0h h ARG 16 Cb -0.06 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1x0h h ARG 16 CO -0.05 0.07 0.12 -0.07 0.56 0.00 0.00 179.97 180.60 1x0h h LEU 17 N -0.73 0.13 -0.26 3.04 3.38 -1.50 0.93 115.31 120.30 1x0h h LEU 17 Ca -0.03 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1x0h h LEU 17 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1x0h h LEU 17 CO 0.05 0.09 -0.69 -0.74 0.09 0.00 0.00 178.44 177.24 1x0h h HIS 18 N 0.15 1.00 -0.17 1.13 2.76 -0.91 0.66 115.15 119.78 1x0h h HIS 18 Ca 0.08 -0.41 -0.22 0.00 -2.20 0.00 0.00 60.37 57.62 1x0h h HIS 18 Cb 0.12 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 28.93 1x0h h HIS 18 CO -0.00 1.22 -0.75 0.93 -1.30 0.00 0.00 177.93 178.04 1x0h h GLU 19 N 0.54 0.80 -0.25 5.26 4.39 -0.37 -3.20 114.58 121.75 1x0h h GLU 19 Ca -0.03 -0.64 -0.11 0.00 0.34 0.00 0.00 59.36 58.93 1x0h h GLU 19 Cb 1.30 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 1x0h h GLU 19 CO 0.14 1.25 -0.29 0.87 -1.16 0.00 0.00 179.01 179.82 1x0h h LYS 20 N 0.54 0.51 0.00 2.33 1.57 -0.89 -3.47 116.57 117.16 1x0h h LYS 20 Ca -0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1x0h h LYS 20 Cb 1.37 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1x0h h LYS 20 CO 0.16 0.75 0.00 0.41 -0.57 0.00 0.00 179.45 180.20 1x0h n GLY 21 N -0.27 1.98 0.14 3.86 0.00 -0.64 -5.02 105.19 105.24 1x0h n GLY 21 Ca -0.01 0.00 -0.05 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 -3.85 1.61 2.07 -1.27 -3.42 116.25 111.40 1x0h h VAL 22 Ca 0.00 0.00 -0.51 0.00 0.82 0.00 0.00 66.70 67.01 1x0h h VAL 22 Cb 0.00 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1x0h h VAL 22 CO 0.00 0.00 0.50 -0.22 0.02 0.00 0.00 177.57 177.87 1x0h s LEU 23 N -6.01 4.46 -0.03 2.57 2.96 0.02 0.82 118.68 123.48 1x0h s LEU 23 Ca -0.05 2.34 -0.03 0.00 -0.22 0.00 0.00 54.13 56.17 1x0h s LEU 23 Cb 0.01 -3.71 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1x0h s LEU 23 CO 0.16 -0.30 -0.06 0.18 -1.32 0.00 0.00 176.35 175.01 1x0h n LEU 24 N 0.91 0.37 0.00 -0.68 4.77 0.11 -4.22 117.00 118.25 1x0h n LEU 24 Ca 0.00 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1x0h n LEU 24 Cb 0.45 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1x0h n LEU 24 CO 0.54 -0.47 0.47 -0.62 -1.33 0.00 0.00 177.39 175.98 1x0h n GLU 25 N -2.87 1.06 -3.92 3.23 1.02 -1.12 -5.01 120.64 113.03 1x0h n GLU 25 Ca -0.02 -2.36 -0.18 0.00 -0.02 0.00 0.00 57.16 54.57 1x0h n GLU 25 Cb 0.09 2.79 -0.17 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 -2.23 0.24 -1.35 -3.67 1.01 -1.26 0.02 121.20 113.95 1x0h s ILE 26 Ca 0.19 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 1x0h s ILE 26 Cb -0.04 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1x0h s ILE 26 CO 0.14 0.18 2.88 -0.62 0.00 0.00 0.00 174.94 177.51 1x0h n GLU 27 N 4.35 3.72 0.00 2.79 1.02 -1.17 -3.66 120.64 127.69 1x0h n GLU 27 Ca -0.22 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 1x0h n GLU 27 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x0h n ASP 28 N 2.91 0.00 -3.93 1.62 -0.08 -1.26 -4.93 116.55 110.89 1x0h n ASP 28 Ca 0.70 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.81 1x0h n ASP 28 Cb 0.31 0.02 0.01 0.00 2.34 0.00 0.00 41.12 43.80 1x0h n ASP 28 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1x0h n LEU 29 N -1.42 0.00 -4.67 -2.67 4.77 -1.24 -5.16 117.00 106.62 1x0h n LEU 29 Ca 0.00 -1.89 -0.30 0.00 -0.03 0.00 0.00 56.01 53.79 1x0h n LEU 29 Cb 0.00 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1x0h n LEU 29 CO 0.00 -0.51 -0.26 -1.10 -1.33 0.00 0.00 177.39 174.19 1x0h s GLN 30 N -3.57 2.05 0.51 3.23 1.11 -1.26 -4.58 119.66 117.15 1x0h s GLN 30 Ca 0.24 -2.25 0.16 0.00 0.01 0.00 0.00 55.36 53.52 1x0h s GLN 30 Cb -0.02 -1.39 1.25 0.00 -1.01 0.00 0.00 33.01 31.85 1x0h s GLN 30 CO 0.15 -0.28 2.13 0.28 0.01 0.00 0.00 175.29 177.59 1x0h h VAL 31 N 1.59 0.99 0.00 1.09 2.07 -1.99 -0.71 116.25 119.28 1x0h h VAL 31 Ca -0.43 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1x0h h VAL 31 Cb 1.28 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1x0h h VAL 31 CO 0.73 0.01 -0.48 -0.55 0.02 0.00 0.00 177.57 177.30 1x0h h ASN 32 N 0.04 0.00 1.94 0.57 -1.07 -2.04 -2.86 115.58 112.16 1x0h h ASN 32 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.40 1x0h h ASN 32 Cb 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 1x0h h ASN 32 CO -0.00 0.48 0.00 1.56 0.07 0.00 0.00 177.43 179.54 1x0h h GLN 33 N 0.00 0.00 -0.85 4.14 4.20 -1.53 -3.28 115.11 117.79 1x0h h GLN 33 Ca -0.00 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.95 1x0h h GLN 33 Cb 0.95 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1x0h h GLN 33 CO 0.06 0.00 0.70 0.74 -0.67 0.00 0.00 178.83 179.66 1x0h h PHE 34 N 0.00 0.00 0.45 2.96 -1.00 -1.24 -0.80 116.94 117.31 1x0h h PHE 34 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1x0h h PHE 34 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1x0h h PHE 34 CO 0.00 0.00 -0.22 -0.22 -1.61 0.00 0.00 178.31 176.26 1x0h h LYS 35 N 0.00 -0.59 -0.48 1.51 3.64 -1.76 -2.44 116.57 116.45 1x0h h LYS 35 Ca 0.40 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.75 1x0h h LYS 35 Cb 1.80 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.73 1x0h h LYS 35 CO -0.00 -0.40 0.01 -2.95 -2.27 0.00 0.00 179.45 173.84 1x0h h ASN 36 N -0.62 0.75 -2.52 4.20 7.08 -1.43 -3.43 115.58 119.61 1x0h h ASN 36 Ca -0.06 -0.17 -0.52 0.00 -3.08 0.00 0.00 56.30 52.46 1x0h h ASN 36 Cb 0.48 -0.20 0.04 0.00 -2.08 0.00 0.00 38.32 36.56 1x0h h ASN 36 CO 0.10 0.81 1.12 -0.69 -2.08 0.00 0.00 177.43 176.69 1x0h s VAL 37 N -5.00 2.48 -0.04 6.14 1.01 -0.88 -4.98 120.40 119.13 1x0h s VAL 37 Ca -0.09 0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1x0h s VAL 37 Cb 0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1x0h s VAL 37 CO 0.81 0.00 -0.20 -0.51 0.00 0.00 0.00 175.10 175.20 1x0h s ILE 38 N 2.72 1.62 -0.45 2.22 1.10 -1.26 -1.85 121.20 125.30 1x0h s ILE 38 Ca 0.81 -0.84 -0.07 0.00 -0.51 0.00 0.00 60.65 60.04 1x0h s ILE 38 Cb -0.47 -1.37 0.12 0.00 0.15 0.00 0.00 42.46 40.89 1x0h s ILE 38 CO 0.37 0.46 0.30 -0.36 -2.11 0.00 0.00 174.94 173.60 1x0h s PHE 39 N -0.16 3.48 -0.44 3.50 0.08 0.17 -4.31 117.98 120.30 1x0h s PHE 39 Ca -0.00 -2.04 -0.18 0.00 0.12 0.00 0.00 56.93 54.83 1x0h s PHE 39 Cb -0.11 -3.42 0.03 0.00 -0.57 0.00 0.00 43.02 38.95 1x0h s PHE 39 CO 0.02 -0.99 0.50 -2.00 -0.10 0.00 0.00 175.22 172.65 1x0h s GLU 40 N 1.29 3.12 -0.33 0.44 2.12 -1.18 -2.99 118.70 121.17 1x0h s GLU 40 Ca 0.06 -0.76 -0.11 0.00 0.36 0.00 0.00 54.97 54.52 1x0h s GLU 40 Cb -0.25 -4.00 -0.00 0.00 0.26 0.00 0.00 34.13 30.13 1x0h s GLU 40 CO -0.02 -0.96 0.19 0.42 -0.54 0.00 0.00 175.26 174.36 1x0h s ILE 41 N 2.31 4.85 -0.43 -3.70 1.01 -1.06 -1.46 121.20 122.71 1x0h s ILE 41 Ca 0.14 -0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 1x0h s ILE 41 Cb -0.17 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1x0h s ILE 41 CO 0.14 -0.02 0.78 -0.44 0.00 0.00 0.00 174.94 175.40 1x0h s SER 42 N 1.64 6.44 0.16 3.58 0.01 -0.18 -2.73 113.70 122.61 1x0h s SER 42 Ca 0.05 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 1x0h s SER 42 Cb -0.18 -2.39 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 1x0h s SER 42 CO 0.08 -0.87 1.25 -2.16 0.41 0.00 0.00 173.24 171.94 1x0h s PRO 43 N 3.24 4.43 0.85 12.44 0.04 -1.26 -3.19 135.00 151.56 1x0h s PRO 43 Ca 0.30 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 1x0h s PRO 43 Cb -0.12 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.35 1x0h s PRO 43 CO 0.21 -0.20 1.17 0.25 0.04 0.00 0.00 177.00 178.46 1x0h n THR 44 N 2.99 0.00 0.24 1.26 -2.24 -1.26 -4.98 114.28 110.29 1x0h n THR 44 Ca 0.07 -1.31 0.06 0.00 -2.27 0.00 0.00 64.05 60.59 1x0h n THR 44 Cb 0.44 -1.18 0.22 0.00 -2.10 0.00 0.00 70.33 67.71 1x0h n THR 44 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1x0h n GLU 45 N -3.32 2.67 -4.24 -0.78 0.00 -1.26 -4.90 120.64 108.80 1x0h n GLU 45 Ca 0.17 -1.72 -0.15 0.00 0.00 0.00 0.00 57.16 55.46 1x0h n GLU 45 Cb 0.59 -1.65 -0.09 0.00 0.00 0.00 0.00 31.44 30.28 1x0h n GLU 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1x0h s GLU 46 N -1.73 1.41 -0.26 5.31 2.02 -1.26 -5.14 118.70 119.05 1x0h s GLU 46 Ca 0.31 -1.78 -0.07 0.00 0.02 0.00 0.00 54.97 53.45 1x0h s GLU 46 Cb 0.20 0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 1x0h s GLU 46 CO 0.15 -0.47 0.06 0.54 0.02 0.00 0.00 175.26 175.56 1x0h s VAL 47 N -3.88 4.15 0.00 2.63 0.11 -1.26 -4.57 120.40 117.58 1x0h s VAL 47 Ca 0.39 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1x0h s VAL 47 Cb 0.05 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1x0h s VAL 47 CO 0.17 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1x0h n GLY 48 N 4.90 3.90 3.78 6.54 0.00 -1.26 -5.10 105.19 117.95 1x0h n GLY 48 Ca -0.16 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 7.06 0.08 1.61 -1.08 -1.26 -3.18 116.67 119.90 1x0h s ASP 49 Ca 0.00 1.26 0.05 0.00 -0.52 0.00 0.00 52.55 53.35 1x0h s ASP 49 Cb 0.00 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 1x0h s ASP 49 CO 0.00 0.18 -0.15 -0.36 0.52 0.00 0.00 175.17 175.36 1x0h s PHE 50 N -0.64 1.26 -0.30 -5.34 0.08 -0.72 -4.47 117.98 107.85 1x0h s PHE 50 Ca 0.31 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.90 1x0h s PHE 50 Cb -0.19 -0.70 0.06 0.00 -0.57 0.00 0.00 43.02 41.61 1x0h s PHE 50 CO 0.19 0.07 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.37 1x0h s GLU 51 N -1.81 2.26 -0.08 0.44 2.12 -1.19 -1.20 118.70 119.24 1x0h s GLU 51 Ca -0.01 -1.39 -0.14 0.00 0.36 0.00 0.00 54.97 53.79 1x0h s GLU 51 Cb -0.10 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1x0h s GLU 51 CO 0.02 -0.68 0.34 0.08 -0.54 0.00 0.00 175.26 174.49 1x0h s VAL 52 N 1.17 5.20 0.14 3.70 1.01 -0.94 -1.01 120.40 129.67 1x0h s VAL 52 Ca -0.04 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1x0h s VAL 52 Cb -0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1x0h s VAL 52 CO -0.03 0.50 -0.07 -0.75 0.00 0.00 0.00 175.10 174.75 1x0h s LYS 53 N -0.45 1.02 -0.29 2.72 2.20 -0.53 -2.25 119.74 122.16 1x0h s LYS 53 Ca 0.20 -1.44 0.06 0.00 -0.36 0.00 0.00 55.97 54.43 1x0h s LYS 53 Cb -0.15 -0.46 0.20 0.00 -1.51 0.00 0.00 37.83 35.91 1x0h s LYS 53 CO 0.09 0.01 0.59 0.00 -0.36 0.00 0.00 175.35 175.68 1x0h s ALA 54 N -3.46 -2.40 0.32 3.13 0.00 -1.26 -3.09 121.76 115.00 1x0h s ALA 54 Ca 0.17 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1x0h s ALA 54 Cb 0.04 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1x0h s ALA 54 CO -0.00 -1.82 0.37 0.15 0.00 0.00 0.00 175.76 174.46 1x0h s LYS 55 N 2.83 1.77 -0.19 0.00 -0.14 -1.26 -5.07 119.74 117.69 1x0h s LYS 55 Ca 0.10 -1.82 0.07 0.00 -1.36 0.00 0.00 55.97 52.95 1x0h s LYS 55 Cb -0.10 0.38 -0.16 0.00 -1.68 0.00 0.00 37.83 36.27 1x0h s LYS 55 CO -0.26 -0.69 -0.09 1.19 -0.76 0.00 0.00 175.35 174.74 1x0h n PHE 56 N -0.55 0.00 -0.07 3.18 3.01 -1.26 -4.52 117.46 117.25 1x0h n PHE 56 Ca 0.03 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.42 1x0h n PHE 56 Cb 0.62 -0.78 -0.10 0.00 -0.01 0.00 0.00 39.48 39.21 1x0h n PHE 56 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1x0h n MET 57 N -2.90 1.61 -0.70 -1.08 2.81 -1.26 -5.08 117.12 110.52 1x0h n MET 57 Ca -0.32 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 1x0h n MET 57 Cb 0.94 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0h n GLY 58 N 2.30 -0.15 3.64 3.03 0.00 -1.26 -5.08 105.19 107.68 1x0h n GLY 58 Ca -0.23 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1x0h n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0h s VAL 59 N -0.40 4.98 -0.63 1.61 0.11 -1.26 -5.05 120.40 119.76 1x0h s VAL 59 Ca 0.00 0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 58.86 1x0h s VAL 59 Cb 0.00 -3.27 0.06 0.00 -1.53 0.00 0.00 36.38 31.63 1x0h s VAL 59 CO 0.00 0.43 0.97 -1.10 -3.33 0.00 0.00 175.10 172.07 1x0h s GLN 60 N 0.58 3.19 0.00 1.54 -0.21 -1.26 -4.45 119.66 119.05 1x0h s GLN 60 Ca 0.05 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1x0h s GLN 60 Cb -0.12 -4.17 0.00 0.00 1.00 0.00 0.00 33.01 29.72 1x0h s GLN 60 CO 0.01 -1.72 0.00 -0.12 -2.12 0.00 0.00 175.29 171.33 1x0h n MET 61 N 7.73 0.00 -4.19 2.91 1.56 -1.26 -5.14 117.12 118.73 1x0h n MET 61 Ca -0.02 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.25 1x0h n MET 61 Cb 0.46 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.70 1x0h n MET 61 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1x0h s GLU 62 N -1.54 0.58 0.04 2.12 -1.05 -1.26 -5.16 118.70 112.43 1x0h s GLU 62 Ca 0.00 -0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 54.32 1x0h s GLU 62 Cb 0.00 -0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 33.17 1x0h s GLU 62 CO 0.00 0.12 0.03 0.99 0.95 0.00 0.00 175.26 177.36 1x0h s THR 63 N -0.63 0.16 0.12 1.83 2.01 -1.26 -5.03 115.64 112.84 1x0h s THR 63 Ca -0.02 -1.28 -0.07 0.00 0.31 0.00 0.00 61.69 60.64 1x0h s THR 63 Cb -0.06 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 1x0h s THR 63 CO 0.00 -0.71 0.39 0.12 -0.69 0.00 0.00 174.62 173.74 1x0h s PHE 64 N -2.82 3.51 -0.11 4.92 5.36 -0.95 -5.01 117.98 122.87 1x0h s PHE 64 Ca -0.03 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 1x0h s PHE 64 Cb 0.00 -2.07 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1x0h s PHE 64 CO -0.06 0.45 -0.01 -1.64 -1.46 0.00 0.00 175.22 172.51 1x0h s MET 65 N -2.40 3.21 -0.04 10.12 -1.94 -1.26 -2.22 119.30 124.76 1x0h s MET 65 Ca 0.38 -0.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.95 1x0h s MET 65 Cb -0.13 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 33.88 1x0h s MET 65 CO 0.22 0.55 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.51 1x0h s LEU 66 N -0.47 1.69 0.09 -0.03 2.96 -0.34 -4.91 118.68 117.67 1x0h s LEU 66 Ca 0.08 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1x0h s LEU 66 Cb -0.12 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 1x0h s LEU 66 CO 0.02 0.05 0.17 -2.28 -1.32 0.00 0.00 176.35 172.99 1x0h s HIS 67 N 0.43 3.35 0.12 5.38 2.46 -1.26 -1.75 115.29 124.02 1x0h s HIS 67 Ca -0.08 0.13 0.05 0.00 0.47 0.00 0.00 55.06 55.63 1x0h s HIS 67 Cb -0.12 -1.66 -0.18 0.00 -0.13 0.00 0.00 32.58 30.48 1x0h s HIS 67 CO 0.02 0.55 1.28 -0.92 -2.47 0.00 0.00 174.74 173.19 1x0h h TYR 68 N 2.92 0.10 -0.14 3.88 3.20 -1.96 -3.31 116.97 121.66 1x0h h TYR 68 Ca -0.46 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1x0h h TYR 68 Cb 1.17 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1x0h h TYR 68 CO 0.59 1.03 0.09 1.96 -1.64 0.00 0.00 178.16 180.19 1x0h h GLN 69 N 0.02 0.19 -0.40 1.82 7.50 -1.95 -1.94 115.11 120.35 1x0h h GLN 69 Ca -0.03 -0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.20 1x0h h GLN 69 Cb 1.76 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.23 1x0h h GLN 69 CO 0.14 0.14 0.28 0.22 -1.50 0.00 0.00 178.83 178.11 1x0h h ASP 70 N 0.17 0.08 -0.10 1.46 3.58 -1.99 0.52 116.42 120.14 1x0h h ASP 70 Ca 0.05 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 1x0h h ASP 70 Cb 0.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1x0h h ASP 70 CO -0.01 0.05 -0.36 -0.07 -2.88 0.00 0.00 179.24 175.97 1x0h h LEU 71 N 0.09 0.48 -0.48 2.28 3.38 -1.48 -3.10 115.31 116.48 1x0h h LEU 71 Ca 0.19 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 1x0h h LEU 71 Cb 0.62 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1x0h h LEU 71 CO -0.02 1.02 -0.75 -0.07 0.09 0.00 0.00 178.44 178.71 1x0h h LEU 72 N -0.03 0.15 -1.61 1.67 3.38 -0.60 -3.13 115.31 115.13 1x0h h LEU 72 Ca -0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1x0h h LEU 72 Cb 0.99 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1x0h h LEU 72 CO 0.08 0.84 0.20 -0.61 0.09 0.00 0.00 178.44 179.04 1x0h h GLN 73 N 0.08 0.46 -0.04 1.13 -0.00 -0.04 -1.44 115.11 115.25 1x0h h GLN 73 Ca -0.02 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.45 1x0h h GLN 73 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.69 1x0h h GLN 73 CO 0.11 0.33 -0.62 -0.07 0.00 0.00 0.00 178.83 178.57 1x0h h LEU 74 N 0.47 0.16 -0.81 -2.39 3.38 -1.48 -1.34 115.31 113.29 1x0h h LEU 74 Ca 0.12 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1x0h h LEU 74 Cb -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1x0h h LEU 74 CO -0.02 0.74 -0.56 -0.61 0.09 0.00 0.00 178.44 178.07 1x0h h GLN 75 N 0.10 0.09 0.22 1.13 4.15 -1.31 0.73 115.11 120.23 1x0h h GLN 75 Ca -0.01 -0.06 -0.34 0.00 0.77 0.00 0.00 58.65 59.01 1x0h h GLN 75 Cb 1.12 0.01 0.03 0.00 0.21 0.00 0.00 27.48 28.84 1x0h h GLN 75 CO 0.09 0.63 -1.58 -0.92 -1.93 0.00 0.00 178.83 175.12 1x0h h TYR 76 N 0.07 0.86 -0.21 3.99 3.20 -1.29 -3.33 116.97 120.26 1x0h h TYR 76 Ca -0.00 -0.63 -0.12 0.00 3.14 0.00 0.00 58.73 61.12 1x0h h TYR 76 Cb 1.01 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1x0h h TYR 76 CO 0.01 1.59 -0.37 0.93 -1.64 0.00 0.00 178.16 178.68 1x0h h GLU 77 N 0.13 0.47 0.00 1.82 5.08 -1.24 -3.47 114.58 117.38 1x0h h GLU 77 Ca -0.29 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1x0h h GLU 77 Cb 2.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1x0h h GLU 77 CO 0.24 0.78 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 1x0h n GLY 78 N -0.13 1.96 3.16 -3.84 0.00 -0.46 -5.09 105.19 100.78 1x0h n GLY 78 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N -2.00 3.26 -1.28 1.61 1.01 0.24 -4.94 120.40 118.31 1x0h s VAL 79 Ca 0.00 -1.68 0.12 0.00 0.00 0.00 0.00 61.98 60.42 1x0h s VAL 79 Cb 0.00 -3.05 0.47 0.00 0.00 0.00 0.00 36.38 33.80 1x0h s VAL 79 CO 0.00 -0.41 1.33 0.00 0.00 0.00 0.00 175.10 176.02 1x0h n ALA 80 N 4.64 2.90 -3.14 5.51 0.00 -1.26 -4.18 120.51 124.97 1x0h n ALA 80 Ca -0.08 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.13 1x0h n ALA 80 Cb 0.43 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.74 0.81 0.26 0.00 1.01 -1.26 -2.98 120.40 116.50 1x0h s VAL 81 Ca 0.33 -0.36 0.12 0.00 0.00 0.00 0.00 61.98 62.07 1x0h s VAL 81 Cb 0.22 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1x0h s VAL 81 CO 0.16 0.26 -0.19 -0.32 0.00 0.00 0.00 175.10 175.01 1x0h s MET 82 N 0.32 1.71 -0.32 2.72 1.75 0.28 -4.86 119.30 120.90 1x0h s MET 82 Ca -0.05 -1.68 0.03 0.00 -1.25 0.00 0.00 55.69 52.73 1x0h s MET 82 Cb -0.10 -1.83 0.09 0.00 2.84 0.00 0.00 34.83 35.83 1x0h s MET 82 CO 0.01 0.35 0.03 0.21 -0.65 0.00 0.00 175.02 174.96 1x0h s LYS 83 N -3.36 1.49 -0.11 4.11 2.47 -1.26 -2.39 119.74 120.69 1x0h s LYS 83 Ca 0.28 -1.61 -0.14 0.00 -1.56 0.00 0.00 55.97 52.94 1x0h s LYS 83 Cb -0.06 -2.94 -0.05 0.00 -1.46 0.00 0.00 37.83 33.33 1x0h s LYS 83 CO 0.14 -0.87 0.33 -0.51 0.16 0.00 0.00 175.35 174.61 1x0h s LEU 84 N 1.07 4.31 -2.13 5.43 1.43 0.03 -4.09 118.68 124.74 1x0h s LEU 84 Ca 0.07 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1x0h s LEU 84 Cb -0.19 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1x0h s LEU 84 CO -0.10 0.17 0.00 0.49 0.23 0.00 0.00 176.35 177.14 1x0h n PHE 85 N 3.04 -0.17 -3.49 0.29 3.72 -1.26 -1.92 117.46 117.66 1x0h n PHE 85 Ca -0.12 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.02 1x0h n PHE 85 Cb 0.52 -3.56 0.03 0.00 -0.94 0.00 0.00 39.48 35.54 1x0h n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1x0h n ASP 86 N -1.46 -5.28 0.00 4.37 8.00 -1.26 -4.71 116.55 116.21 1x0h n ASP 86 Ca -0.21 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1x0h n ASP 86 Cb 0.68 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 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 -4.37 0.00 -1.73 -1.24 1.74 -0.81 -4.99 116.66 105.26 1x0h n ARG 87 Ca -0.02 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.66 1x0h n ARG 87 Cb 0.56 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.03 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h n ALA 88 N -1.73 1.58 -3.83 7.54 0.00 -0.89 -3.04 120.51 120.14 1x0h n ALA 88 Ca 0.00 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 1x0h n ALA 88 Cb 0.00 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 16.96 1x0h n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x0h s LYS 89 N -2.53 2.92 0.21 0.00 1.02 0.10 -0.79 119.74 120.67 1x0h s LYS 89 Ca 0.65 -0.81 0.11 0.00 0.02 0.00 0.00 55.97 55.95 1x0h s LYS 89 Cb -0.46 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1x0h s LYS 89 CO 0.55 -0.09 -0.23 0.08 -0.92 0.00 0.00 175.35 174.73 1x0h s VAL 90 N 1.02 2.37 -0.22 3.17 1.01 -1.01 0.07 120.40 126.81 1x0h s VAL 90 Ca -0.02 -2.09 -0.25 0.00 0.00 0.00 0.00 61.98 59.61 1x0h s VAL 90 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1x0h s VAL 90 CO -0.06 -0.16 0.84 0.21 0.00 0.00 0.00 175.10 175.93 1x0h s ASN 91 N -2.80 6.89 0.30 3.32 3.84 0.24 -0.56 114.94 126.17 1x0h s ASN 91 Ca 0.22 1.10 0.11 0.00 0.21 0.00 0.00 52.86 54.50 1x0h s ASN 91 Cb -0.07 -2.45 0.45 0.00 -0.55 0.00 0.00 41.25 38.63 1x0h s ASN 91 CO 0.11 -0.49 1.67 0.58 -2.79 0.00 0.00 177.10 176.17 1x0h h VAL 92 N 5.36 1.40 -0.00 -5.21 2.07 -1.83 0.84 116.25 118.87 1x0h h VAL 92 Ca -0.25 -1.91 -0.11 0.00 0.82 0.00 0.00 66.70 65.25 1x0h h VAL 92 Cb 1.10 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1x0h h VAL 92 CO 0.87 0.54 -0.54 0.78 0.02 0.00 0.00 177.57 179.24 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 4.21 -1.88 -2.89 115.58 115.59 1x0h h ASN 93 Ca -0.01 -0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.13 1x0h h ASN 93 Cb 0.99 -0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.11 1x0h h ASN 93 CO 0.07 0.54 -2.40 0.18 -1.29 0.00 0.00 177.43 174.54 1x0h n LEU 94 N -3.90 0.40 -0.22 1.61 4.77 -1.12 -3.78 117.00 114.76 1x0h n LEU 94 Ca -0.01 -0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1x0h n LEU 94 Cb 0.55 0.31 0.05 0.00 -2.33 0.00 0.00 43.42 42.00 1x0h n LEU 94 CO 0.41 0.56 1.13 0.25 -1.33 0.00 0.00 177.39 178.40 1x0h h LEU 95 N 0.00 0.69 -0.35 2.23 5.85 0.66 -1.33 115.31 123.05 1x0h h LEU 95 Ca -0.55 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 57.98 1x0h h LEU 95 Cb 2.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 1x0h h LEU 95 CO 0.01 0.49 -0.83 0.40 -0.34 0.00 0.00 178.44 178.18 1x0h h ILE 96 N 0.82 1.55 -0.49 4.05 2.04 -1.72 -3.10 117.51 120.65 1x0h h ILE 96 Ca 0.23 -2.70 -0.03 0.00 1.00 0.00 0.00 64.86 63.36 1x0h h ILE 96 Cb -0.06 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1x0h h ILE 96 CO -0.06 0.78 0.18 0.15 0.00 0.00 0.00 178.15 179.19 1x0h h PHE 97 N 0.04 0.76 -0.69 1.37 3.57 -1.54 -1.57 116.94 118.88 1x0h h PHE 97 Ca -0.02 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 1x0h h PHE 97 Cb 1.45 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1x0h h PHE 97 CO 0.01 0.65 0.17 1.25 -2.23 0.00 0.00 178.31 178.17 1x0h h LEU 98 N 0.65 1.03 -1.42 0.59 5.85 -1.30 -2.50 115.31 118.21 1x0h h LEU 98 Ca 0.16 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1x0h h LEU 98 Cb 0.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1x0h h LEU 98 CO -0.01 1.00 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.73 1x0h h LEU 99 N 1.03 0.00 -2.04 2.25 3.38 -1.43 0.67 115.31 119.16 1x0h h LEU 99 Ca 0.22 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1x0h h LEU 99 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1x0h h LEU 99 CO 0.00 0.29 0.13 -1.13 0.09 0.00 0.00 178.44 177.82 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -0.81 0.37 115.58 113.98 1x0h h ASN 100 Ca -0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 1x0h h ASN 100 Cb 0.54 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.10 1x0h h ASN 100 CO 0.04 0.00 -1.53 0.29 -0.37 0.00 0.00 177.43 175.86 1x0h n LYS 101 N -4.41 2.57 0.19 6.67 5.02 -0.95 -4.03 118.16 123.21 1x0h n LYS 101 Ca 0.01 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1x0h n LYS 101 Cb 0.26 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.52 0.00 1.97 1.79 0.46 -3.42 116.57 116.86 1x0h h LYS 102 Ca -0.20 0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.14 1x0h h LYS 102 Cb 1.42 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 32.16 1x0h h LYS 102 CO 0.01 -0.35 -1.11 1.19 -1.08 0.00 0.00 179.45 178.11 1x0h n PHE 103 N -4.98 0.88 -1.54 -1.35 3.01 -0.29 -4.78 117.46 108.39 1x0h n PHE 103 Ca -0.07 0.38 -0.25 0.00 1.01 0.00 0.00 57.45 58.52 1x0h n PHE 103 Cb 0.21 -0.97 -0.08 0.00 -0.01 0.00 0.00 39.48 38.64 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 -4.48 1.07 -2.69 1.38 4.02 0.12 -4.64 117.16 111.94 1x0h n TYR 104 Ca -0.25 0.07 -0.07 0.00 -0.01 0.00 0.00 57.90 57.64 1x0h n TYR 104 Cb 0.56 -2.37 0.10 0.00 -0.02 0.00 0.00 39.34 37.61 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 6.34 1.42 0.86 2.72 0.00 -1.26 -4.29 105.19 110.98 1x0h n GLY 105 Ca 0.48 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1x0h n GLY 105 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x0h n LYS 106 N -0.53 0.86 -0.05 1.61 -0.00 -1.26 -4.85 118.16 113.94 1x0h n LYS 106 Ca -0.01 -2.58 -0.03 0.00 -0.00 0.00 0.00 58.31 55.69 1x0h n LYS 106 Cb 0.84 -0.94 -0.01 0.00 -0.00 0.00 0.00 35.03 34.93 1x0h n LYS 106 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x0h n SER 107 N -0.48 1.17 -4.83 -5.58 7.64 -1.26 -4.95 113.62 105.32 1x0h n SER 107 Ca 0.13 0.50 -0.33 0.00 1.01 0.00 0.00 58.87 60.18 1x0h n SER 107 Cb 0.85 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1x0h n SER 107 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x0h s GLY 108 N -3.62 2.34 -0.82 0.23 0.00 -1.26 -4.97 107.32 99.22 1x0h s GLY 108 Ca -0.09 0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.65 1x0h s GLY 108 CO 0.14 0.53 1.88 2.56 0.00 0.00 0.00 173.10 178.21 1x0h s PRO 109 N -3.19 2.64 0.01 2.90 0.04 -1.26 -4.76 135.00 131.38 1x0h s PRO 109 Ca 0.59 -0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.62 1x0h s PRO 109 Cb -0.09 -4.87 -0.24 0.00 0.04 0.00 0.00 34.50 29.34 1x0h s PRO 109 CO 0.16 -3.11 0.88 1.03 0.04 0.00 0.00 177.00 176.00 1x0h h SER 110 N 12.22 0.10 -5.27 6.66 0.87 -1.94 -3.48 113.55 122.71 1x0h h SER 110 Ca -0.01 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.30 1x0h h SER 110 Cb 1.05 -0.03 -0.12 0.00 -0.44 0.00 0.00 62.40 62.86 1x0h h SER 110 CO 1.23 1.13 -0.28 -0.94 -0.53 0.00 0.00 176.83 177.44 1x0h s SER 111 N -6.51 0.00 0.00 6.23 1.04 -1.26 -5.28 113.70 107.92 1x0h s SER 111 Ca -0.05 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1x0h s SER 111 Cb 0.08 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1x0h s SER 111 CO 0.83 -0.95 0.21 0.61 0.98 0.00 0.00 173.24 174.92