#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h n SER 2 N 0.00 -1.98 -4.77 1.61 3.41 -1.26 -4.99 113.62 105.64 1x0h n SER 2 Ca 0.00 -0.88 -0.38 0.00 -0.26 0.00 0.00 58.87 57.35 1x0h n SER 2 Cb 0.00 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 1x0h n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x0h s SER 3 N -3.31 7.43 0.00 4.04 1.04 -1.26 -5.03 113.70 116.62 1x0h s SER 3 Ca 0.46 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1x0h s SER 3 Cb -0.05 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1x0h s SER 3 CO 0.36 0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1x0h n GLY 4 N 0.89 0.46 1.14 7.32 0.00 -1.26 -5.03 105.19 108.71 1x0h n GLY 4 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x0h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x0h n SER 5 N -1.31 0.00 -2.78 1.61 7.64 -1.26 -5.11 113.62 112.40 1x0h n SER 5 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1x0h n SER 5 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1x0h n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x0h n SER 6 N -2.22 -7.90 0.00 6.43 2.88 -1.26 -5.02 113.62 106.53 1x0h n SER 6 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1x0h n SER 6 Cb 0.00 -5.32 0.00 0.00 -0.75 0.00 0.00 64.21 58.14 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 0.03 2.75 3.29 0.46 0.00 -1.26 -5.15 105.19 105.30 1x0h n GLY 7 Ca 0.08 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.97 1.57 0.17 -0.61 1.01 -1.26 -5.16 121.20 114.95 1x0h s ILE 8 Ca 0.00 -1.82 -0.16 0.00 0.00 0.00 0.00 60.65 58.67 1x0h s ILE 8 Cb 0.00 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.80 1x0h s ILE 8 CO 0.00 -0.37 0.46 -0.94 0.00 0.00 0.00 174.94 174.09 1x0h s SER 9 N -2.57 -0.23 0.38 3.58 1.04 -1.26 -4.19 113.70 110.46 1x0h s SER 9 Ca 0.12 -0.47 -0.10 0.00 0.48 0.00 0.00 55.95 55.99 1x0h s SER 9 Cb -0.05 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 1x0h s SER 9 CO 0.05 -0.98 0.73 -0.76 0.98 0.00 0.00 173.24 173.26 1x0h s LEU 10 N -2.86 3.88 -0.14 2.42 1.43 -0.65 -4.96 118.68 117.81 1x0h s LEU 10 Ca 0.08 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1x0h s LEU 10 Cb 0.00 -3.94 0.04 0.00 0.03 0.00 0.00 46.19 42.32 1x0h s LEU 10 CO -0.05 -0.35 -0.02 -0.54 0.23 0.00 0.00 176.35 175.61 1x0h s LYS 11 N -3.73 1.05 -0.11 1.70 -0.14 -1.26 -3.46 119.74 113.79 1x0h s LYS 11 Ca 0.50 -0.27 -0.09 0.00 -1.36 0.00 0.00 55.97 54.75 1x0h s LYS 11 Cb -0.10 -1.66 0.03 0.00 -1.68 0.00 0.00 37.83 34.42 1x0h s LYS 11 CO 0.30 -0.41 0.29 0.71 -0.76 0.00 0.00 175.35 175.47 1x0h s TYR 12 N 1.79 -0.33 0.30 3.18 2.02 -1.20 -5.02 117.35 118.09 1x0h s TYR 12 Ca 0.02 0.80 0.01 0.00 -0.37 0.00 0.00 57.07 57.53 1x0h s TYR 12 Cb -0.14 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1x0h s TYR 12 CO -0.07 -0.17 0.50 0.95 -1.57 0.00 0.00 175.55 175.18 1x0h s THR 13 N 0.40 5.14 0.21 -0.71 -4.23 -1.26 0.42 115.64 115.60 1x0h s THR 13 Ca -0.02 -0.49 -0.10 0.00 -1.18 0.00 0.00 61.69 59.90 1x0h s THR 13 Cb -0.04 -3.83 0.14 0.00 1.34 0.00 0.00 72.50 70.11 1x0h s THR 13 CO -0.02 -0.45 1.86 0.00 -0.54 0.00 0.00 174.62 175.47 1x0h h ALA 14 N 1.07 0.92 -0.06 3.99 0.00 0.04 -1.70 119.26 123.52 1x0h h ALA 14 Ca -0.50 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1x0h h ALA 14 Cb 1.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1x0h h ALA 14 CO 0.63 0.26 -0.28 0.00 0.00 0.00 0.00 179.25 179.86 1x0h h ALA 15 N 1.29 1.42 -0.21 0.00 0.00 -1.81 -1.50 119.26 118.45 1x0h h ALA 15 Ca 0.28 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x0h h ALA 15 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1x0h h ALA 15 CO -0.09 0.42 -0.05 -0.09 0.00 0.00 0.00 179.25 179.43 1x0h h ARG 16 N 0.10 0.40 -0.17 0.00 9.65 -1.67 -2.41 114.38 120.29 1x0h h ARG 16 Ca 0.02 -0.15 -0.12 0.00 -1.10 0.00 0.00 59.98 58.63 1x0h h ARG 16 Cb 0.55 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1x0h h ARG 16 CO 0.04 0.65 -0.40 -0.07 2.80 0.00 0.00 179.97 182.99 1x0h h LEU 17 N 0.12 0.40 -0.40 3.80 3.38 -1.23 -2.51 115.31 118.88 1x0h h LEU 17 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1x0h h LEU 17 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1x0h h LEU 17 CO 0.02 0.76 0.20 -0.74 0.09 0.00 0.00 178.44 178.77 1x0h h HIS 18 N 0.32 0.57 -0.49 1.13 2.76 -1.19 -0.92 115.15 117.32 1x0h h HIS 18 Ca 0.03 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1x0h h HIS 18 Cb 0.84 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 1x0h h HIS 18 CO 0.02 0.46 0.02 0.93 -1.30 0.00 0.00 177.93 178.06 1x0h h GLU 19 N 0.51 0.86 -0.08 5.26 4.39 -1.35 -2.75 114.58 121.42 1x0h h GLU 19 Ca 0.14 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1x0h h GLU 19 Cb 0.10 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1x0h h GLU 19 CO -0.02 0.89 -0.11 0.87 -1.16 0.00 0.00 179.01 179.47 1x0h h LYS 20 N 0.72 0.12 0.00 2.33 1.57 -1.25 -3.46 116.57 116.60 1x0h h LYS 20 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1x0h h LYS 20 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1x0h h LYS 20 CO 0.02 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 1x0h n GLY 21 N -1.05 2.52 0.17 3.86 0.00 -0.42 -5.00 105.19 105.26 1x0h n GLY 21 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.03 1.61 2.07 -1.63 -3.43 116.25 110.83 1x0h h VAL 22 Ca 0.00 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.02 1x0h h VAL 22 Cb 0.00 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1x0h h VAL 22 CO 0.00 0.00 0.44 -0.22 0.02 0.00 0.00 177.57 177.81 1x0h s LEU 23 N -6.27 3.92 -0.03 2.57 2.96 -0.98 0.04 118.68 120.89 1x0h s LEU 23 Ca -0.06 2.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.97 1x0h s LEU 23 Cb 0.01 -4.40 -0.01 0.00 0.50 0.00 0.00 46.19 42.29 1x0h s LEU 23 CO 0.20 -0.93 -0.08 0.18 -1.32 0.00 0.00 176.35 174.40 1x0h n LEU 24 N -0.77 0.55 -3.82 -0.68 4.77 -0.70 -4.32 117.00 112.04 1x0h n LEU 24 Ca 0.09 0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1x0h n LEU 24 Cb 0.50 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1x0h n LEU 24 CO 0.44 -0.47 0.52 -1.61 -1.33 0.00 0.00 177.39 174.94 1x0h s GLU 25 N -1.53 2.17 -0.13 3.23 2.02 -1.24 -5.00 118.70 118.22 1x0h s GLU 25 Ca -0.06 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.53 1x0h s GLU 25 Cb 0.01 0.62 0.04 0.00 0.10 0.00 0.00 34.13 34.91 1x0h s GLU 25 CO 0.10 -1.01 0.02 0.42 0.02 0.00 0.00 175.26 174.80 1x0h s ILE 26 N -2.55 0.46 -1.09 -1.63 1.01 -1.26 0.35 121.20 116.49 1x0h s ILE 26 Ca 0.15 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.42 1x0h s ILE 26 Cb -0.05 -0.78 -0.07 0.00 0.01 0.00 0.00 42.46 41.57 1x0h s ILE 26 CO 0.11 0.04 2.12 -0.62 0.00 0.00 0.00 174.94 176.59 1x0h n GLU 27 N 5.10 2.18 0.02 2.79 -0.58 -0.83 -3.38 120.64 125.95 1x0h n GLU 27 Ca -0.08 -2.11 0.00 0.00 -0.42 0.00 0.00 57.16 54.55 1x0h n GLU 27 Cb 0.49 -3.00 0.00 0.00 -0.57 0.00 0.00 31.44 28.35 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 6.43 -0.40 -4.40 1.62 2.03 -1.26 -4.79 116.55 115.79 1x0h n ASP 28 Ca 0.52 0.33 -0.21 0.00 0.52 0.00 0.00 54.79 55.95 1x0h n ASP 28 Cb 0.36 0.65 0.01 0.00 -0.72 0.00 0.00 41.12 41.42 1x0h n ASP 28 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1x0h n LEU 29 N -2.66 0.00 -4.83 -2.67 4.77 -1.22 -5.15 117.00 105.24 1x0h n LEU 29 Ca 0.00 -2.34 -0.25 0.00 -0.03 0.00 0.00 56.01 53.39 1x0h n LEU 29 Cb 0.00 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1x0h n LEU 29 CO 0.00 -0.57 -0.06 -1.10 -1.33 0.00 0.00 177.39 174.34 1x0h s GLN 30 N -3.96 2.30 0.53 3.23 -0.21 -1.26 -4.68 119.66 115.60 1x0h s GLN 30 Ca 0.32 -1.89 0.21 0.00 0.02 0.00 0.00 55.36 54.02 1x0h s GLN 30 Cb -0.03 -2.07 1.37 0.00 1.00 0.00 0.00 33.01 33.29 1x0h s GLN 30 CO 0.20 -0.33 2.11 0.28 -2.12 0.00 0.00 175.29 175.42 1x0h h VAL 31 N 1.09 0.85 0.00 1.09 2.07 -2.01 -0.03 116.25 119.31 1x0h h VAL 31 Ca -0.40 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1x0h h VAL 31 Cb 1.28 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1x0h h VAL 31 CO 0.63 0.00 -0.51 -1.13 0.02 0.00 0.00 177.57 176.58 1x0h h ASN 32 N 0.00 0.00 1.76 0.57 -1.24 -2.05 -2.90 115.58 111.72 1x0h h ASN 32 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1x0h h ASN 32 Cb 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1x0h h ASN 32 CO -0.00 0.51 -0.11 1.56 -1.29 0.00 0.00 177.43 178.09 1x0h h GLN 33 N 0.00 0.00 -0.85 6.67 4.20 -1.39 -3.30 115.11 120.44 1x0h h GLN 33 Ca -0.01 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.95 1x0h h GLN 33 Cb 0.99 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1x0h h GLN 33 CO 0.07 0.00 0.68 0.74 -0.67 0.00 0.00 178.83 179.65 1x0h h PHE 34 N 0.00 0.00 -0.02 2.96 -1.00 -1.25 0.55 116.94 118.19 1x0h h PHE 34 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1x0h h PHE 34 Cb 0.94 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1x0h h PHE 34 CO 0.00 0.00 -0.26 0.87 -1.61 0.00 0.00 178.31 177.31 1x0h h LYS 35 N 0.00 0.03 -1.03 1.51 1.57 -1.76 -2.48 116.57 114.40 1x0h h LYS 35 Ca 0.40 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.64 1x0h h LYS 35 Cb 1.76 -0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.79 1x0h h LYS 35 CO -0.00 0.30 0.68 0.27 -0.57 0.00 0.00 179.45 180.12 1x0h n ASN 36 N -4.21 5.16 -3.54 0.86 0.23 0.19 -4.78 115.26 109.17 1x0h n ASN 36 Ca -0.02 -3.55 -0.28 0.00 -0.53 0.00 0.00 54.58 50.20 1x0h n ASN 36 Cb 0.32 -0.88 -0.15 0.00 -2.08 0.00 0.00 39.78 36.99 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 -3.55 -0.10 -0.04 3.53 1.01 -0.94 -5.08 120.40 115.24 1x0h s VAL 37 Ca 0.55 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1x0h s VAL 37 Cb 0.45 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1x0h s VAL 37 CO 0.06 -0.66 -0.04 -0.51 0.00 0.00 0.00 175.10 173.95 1x0h s ILE 38 N 2.12 3.91 -0.26 2.22 2.07 -1.26 0.46 121.20 130.46 1x0h s ILE 38 Ca 0.08 -0.53 -0.07 0.00 -1.41 0.00 0.00 60.65 58.72 1x0h s ILE 38 Cb -0.16 -2.67 -0.02 0.00 0.13 0.00 0.00 42.46 39.75 1x0h s ILE 38 CO -0.34 0.50 0.07 -0.36 -1.91 0.00 0.00 174.94 172.90 1x0h s PHE 39 N -0.93 3.09 -0.41 3.50 0.08 0.17 -2.60 117.98 120.88 1x0h s PHE 39 Ca 0.15 -0.58 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 1x0h s PHE 39 Cb -0.11 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 1x0h s PHE 39 CO 0.05 -0.42 0.29 -2.00 -0.10 0.00 0.00 175.22 173.04 1x0h s GLU 40 N 1.58 2.96 -0.34 0.44 -6.30 -1.09 -3.27 118.70 112.68 1x0h s GLU 40 Ca 0.06 -1.02 -0.10 0.00 -2.50 0.00 0.00 54.97 51.40 1x0h s GLU 40 Cb -0.15 -3.96 0.01 0.00 0.00 0.00 0.00 34.13 30.03 1x0h s GLU 40 CO 0.03 -0.74 0.17 0.42 0.02 0.00 0.00 175.26 175.16 1x0h s ILE 41 N 1.67 4.51 -0.11 -3.70 1.01 -1.22 -2.48 121.20 120.87 1x0h s ILE 41 Ca 0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 1x0h s ILE 41 Cb -0.19 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1x0h s ILE 41 CO 0.10 -0.08 0.64 -0.44 0.00 0.00 0.00 174.94 175.16 1x0h s SER 42 N 1.57 6.86 0.53 3.58 0.01 -0.59 -1.64 113.70 124.02 1x0h s SER 42 Ca 0.03 1.04 -0.19 0.00 1.31 0.00 0.00 55.95 58.14 1x0h s SER 42 Cb -0.18 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1x0h s SER 42 CO 0.06 -0.13 1.05 -2.16 0.41 0.00 0.00 173.24 172.47 1x0h s PRO 43 N 1.04 3.59 0.10 12.44 0.04 -1.26 -3.02 135.00 147.93 1x0h s PRO 43 Ca 0.33 1.33 0.09 0.00 0.04 0.00 0.00 61.00 62.80 1x0h s PRO 43 Cb -0.17 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1x0h s PRO 43 CO 0.15 -0.60 -0.19 0.95 0.04 0.00 0.00 177.00 177.34 1x0h s THR 44 N -2.12 2.73 0.20 1.26 -4.23 -1.26 -4.94 115.64 107.28 1x0h s THR 44 Ca 0.67 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1x0h s THR 44 Cb -0.17 -2.22 0.14 0.00 1.34 0.00 0.00 72.50 71.59 1x0h s THR 44 CO 0.26 0.16 1.87 -0.33 -0.54 0.00 0.00 174.62 176.04 1x0h h GLU 45 N 3.96 0.92 -7.43 3.99 3.07 -1.97 -3.43 114.58 113.68 1x0h h GLU 45 Ca -0.49 -0.06 -0.47 0.00 -0.50 0.00 0.00 59.36 57.84 1x0h h GLU 45 Cb 1.16 -0.21 0.13 0.00 -0.84 0.00 0.00 28.75 29.00 1x0h h GLU 45 CO 0.45 0.61 0.29 -2.00 -1.40 0.00 0.00 179.01 176.96 1x0h s GLU 46 N -6.14 1.32 -0.07 2.33 2.12 -1.26 -5.06 118.70 111.94 1x0h s GLU 46 Ca -0.13 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1x0h s GLU 46 Cb 0.15 -1.84 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 1x0h s GLU 46 CO 0.77 -2.12 -0.10 0.54 -0.54 0.00 0.00 175.26 173.82 1x0h s VAL 47 N -3.16 3.41 0.00 3.70 0.11 -1.26 -4.58 120.40 118.62 1x0h s VAL 47 Ca 0.63 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1x0h s VAL 47 Cb -0.16 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1x0h s VAL 47 CO 0.55 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 173.51 1x0h n GLY 48 N 2.45 1.83 3.72 6.54 0.00 -1.26 -5.06 105.19 113.40 1x0h n GLY 48 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.06 5.41 0.10 1.61 1.11 -1.26 -2.99 116.67 120.60 1x0h s ASP 49 Ca 0.00 0.17 0.07 0.00 0.18 0.00 0.00 52.55 52.97 1x0h s ASP 49 Cb 0.00 -1.55 -0.03 0.00 1.07 0.00 0.00 42.92 42.41 1x0h s ASP 49 CO 0.00 0.36 -0.16 -0.36 1.18 0.00 0.00 175.17 176.19 1x0h s PHE 50 N -0.95 1.49 -0.42 4.23 0.08 -1.02 -4.59 117.98 116.80 1x0h s PHE 50 Ca 0.15 -0.48 -0.07 0.00 0.12 0.00 0.00 56.93 56.65 1x0h s PHE 50 Cb -0.11 -0.80 0.09 0.00 -0.57 0.00 0.00 43.02 41.62 1x0h s PHE 50 CO 0.04 0.15 0.24 -2.00 -0.10 0.00 0.00 175.22 173.56 1x0h s GLU 51 N -2.17 2.45 -0.22 0.44 2.12 -1.17 -2.53 118.70 117.63 1x0h s GLU 51 Ca 0.05 -1.57 -0.10 0.00 0.36 0.00 0.00 54.97 53.72 1x0h s GLU 51 Cb -0.08 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 1x0h s GLU 51 CO 0.03 -0.99 0.14 0.08 -0.54 0.00 0.00 175.26 173.98 1x0h s VAL 52 N 1.35 5.33 0.07 3.70 1.01 0.75 -1.54 120.40 131.07 1x0h s VAL 52 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1x0h s VAL 52 Cb -0.23 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1x0h s VAL 52 CO 0.00 0.40 -0.06 -0.75 0.00 0.00 0.00 175.10 174.69 1x0h s LYS 53 N 0.70 0.67 -0.46 2.72 2.20 -1.04 -0.45 119.74 124.08 1x0h s LYS 53 Ca 0.07 -1.09 -0.10 0.00 -0.36 0.00 0.00 55.97 54.50 1x0h s LYS 53 Cb -0.12 -0.14 0.11 0.00 -1.51 0.00 0.00 37.83 36.16 1x0h s LYS 53 CO 0.01 -0.01 0.33 0.00 -0.36 0.00 0.00 175.35 175.32 1x0h s ALA 54 N -2.82 3.38 -0.04 3.13 0.00 -1.26 -2.66 121.76 121.48 1x0h s ALA 54 Ca 0.02 -2.41 -0.29 0.00 0.00 0.00 0.00 51.96 49.28 1x0h s ALA 54 Cb -0.00 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 1x0h s ALA 54 CO -0.04 -1.83 2.06 0.15 0.00 0.00 0.00 175.76 176.10 1x0h s LYS 55 N 1.40 3.82 0.26 0.00 -0.14 -1.07 -4.61 119.74 119.40 1x0h s LYS 55 Ca 0.05 2.45 0.00 0.00 -1.36 0.00 0.00 55.97 57.10 1x0h s LYS 55 Cb -0.25 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 31.66 1x0h s LYS 55 CO 0.00 -1.32 0.00 1.19 -0.76 0.00 0.00 175.35 174.47 1x0h n PHE 56 N 8.85 -3.20 0.00 3.18 3.01 -1.26 -4.42 117.46 123.62 1x0h n PHE 56 Ca 0.23 0.79 0.00 0.00 1.01 0.00 0.00 57.45 59.48 1x0h n PHE 56 Cb 0.42 2.06 0.00 0.00 -0.01 0.00 0.00 39.48 41.95 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 -3.08 0.00 -2.09 -1.08 2.81 -1.26 -5.09 117.12 107.33 1x0h n MET 57 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 1x0h n MET 57 Cb 0.00 -0.05 0.02 0.00 -0.71 0.00 0.00 33.22 32.49 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 1.59 0.25 0.11 3.03 0.00 -1.26 -5.00 105.19 103.91 1x0h n GLY 58 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1x0h n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x0h n VAL 59 N -2.04 1.50 -4.10 1.61 0.24 -1.26 -4.99 118.33 109.28 1x0h n VAL 59 Ca -0.03 -0.73 -0.24 0.00 -2.04 0.00 0.00 64.34 61.30 1x0h n VAL 59 Cb 0.54 -1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 1x0h n VAL 59 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1x0h s GLN 60 N -2.52 2.29 -0.45 7.34 -1.52 -1.26 -5.03 119.66 118.51 1x0h s GLN 60 Ca -0.19 -1.68 0.03 0.00 -1.95 0.00 0.00 55.36 51.56 1x0h s GLN 60 Cb 0.07 -2.09 0.58 0.00 -0.22 0.00 0.00 33.01 31.36 1x0h s GLN 60 CO 0.75 0.01 1.88 -0.12 -0.25 0.00 0.00 175.29 177.55 1x0h n MET 61 N -1.19 2.22 -2.98 2.91 1.56 -1.26 -4.85 117.12 113.54 1x0h n MET 61 Ca -0.02 -2.82 -0.44 0.00 -0.27 0.00 0.00 57.70 54.14 1x0h n MET 61 Cb 0.63 -2.11 -0.02 0.00 2.15 0.00 0.00 33.22 33.87 1x0h n MET 61 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1x0h s GLU 62 N -3.13 3.71 -0.11 2.12 -6.30 -1.26 -5.01 118.70 108.72 1x0h s GLU 62 Ca 0.54 -2.02 -0.10 0.00 -2.50 0.00 0.00 54.97 50.89 1x0h s GLU 62 Cb 0.45 -4.89 -0.05 0.00 0.00 0.00 0.00 34.13 29.64 1x0h s GLU 62 CO 0.08 -1.71 0.21 0.95 0.02 0.00 0.00 175.26 174.81 1x0h s THR 63 N 2.14 5.38 -0.09 -1.70 -4.23 -1.26 -4.98 115.64 110.90 1x0h s THR 63 Ca 0.33 0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 1x0h s THR 63 Cb -0.05 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 1x0h s THR 63 CO -0.08 0.56 1.19 0.12 -0.54 0.00 0.00 174.62 175.88 1x0h s PHE 64 N -0.69 3.15 0.18 3.99 5.36 0.41 -4.92 117.98 125.46 1x0h s PHE 64 Ca 0.16 1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 57.31 1x0h s PHE 64 Cb -0.13 -3.42 -0.05 0.00 -0.34 0.00 0.00 43.02 39.09 1x0h s PHE 64 CO 0.05 -1.29 0.39 -1.64 -1.46 0.00 0.00 175.22 171.28 1x0h s MET 65 N 2.49 3.57 -0.01 10.12 -1.94 -1.26 -0.18 119.30 132.09 1x0h s MET 65 Ca 0.55 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 1x0h s MET 65 Cb -0.23 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 33.80 1x0h s MET 65 CO 0.20 0.42 0.01 -1.17 -0.01 0.00 0.00 175.02 174.46 1x0h s LEU 66 N -3.03 1.45 0.10 -0.03 2.96 -1.05 -4.90 118.68 114.18 1x0h s LEU 66 Ca 0.40 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1x0h s LEU 66 Cb -0.12 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 1x0h s LEU 66 CO 0.27 -0.07 0.10 -2.28 -1.32 0.00 0.00 176.35 173.05 1x0h s HIS 67 N 0.64 3.19 0.25 5.38 2.46 -1.26 -2.44 115.29 123.50 1x0h s HIS 67 Ca -0.06 0.06 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1x0h s HIS 67 Cb -0.08 -1.60 0.29 0.00 -0.13 0.00 0.00 32.58 31.06 1x0h s HIS 67 CO -0.02 0.52 1.63 -0.92 -2.47 0.00 0.00 174.74 173.49 1x0h h TYR 68 N 3.08 0.57 -0.49 3.88 3.20 -1.96 -3.02 116.97 122.23 1x0h h TYR 68 Ca -0.47 -0.16 -0.12 0.00 3.14 0.00 0.00 58.73 61.13 1x0h h TYR 68 Cb 1.17 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1x0h h TYR 68 CO 0.60 0.80 -0.15 1.96 -1.64 0.00 0.00 178.16 179.72 1x0h h GLN 69 N 0.40 0.95 -0.67 1.82 4.20 -1.95 -2.62 115.11 117.25 1x0h h GLN 69 Ca 0.04 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.39 1x0h h GLN 69 Cb 0.85 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1x0h h GLN 69 CO 0.07 1.03 0.44 -0.44 -0.67 0.00 0.00 178.83 179.26 1x0h h ASP 70 N 0.84 0.77 -0.21 1.46 3.32 -1.95 0.19 116.42 120.84 1x0h h ASP 70 Ca 0.12 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1x0h h ASP 70 Cb 0.71 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1x0h h ASP 70 CO 0.05 0.56 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.88 1x0h h LEU 71 N 0.91 0.53 -1.31 1.55 3.38 -1.42 -3.07 115.31 115.88 1x0h h LEU 71 Ca 0.24 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1x0h h LEU 71 Cb -0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1x0h h LEU 71 CO -0.05 0.88 -0.35 -0.07 0.09 0.00 0.00 178.44 178.94 1x0h h LEU 72 N 0.18 0.00 -1.68 1.67 3.38 -1.09 -2.56 115.31 115.21 1x0h h LEU 72 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1x0h h LEU 72 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1x0h h LEU 72 CO 0.05 0.35 0.20 -0.61 0.09 0.00 0.00 178.44 178.51 1x0h h GLN 73 N 0.00 0.41 0.05 1.13 5.75 -0.87 0.23 115.11 121.81 1x0h h GLN 73 Ca -0.00 -0.03 -0.25 0.00 -0.15 0.00 0.00 58.65 58.22 1x0h h GLN 73 Cb 0.61 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1x0h h GLN 73 CO 0.04 0.28 -1.24 -0.07 -2.65 0.00 0.00 178.83 175.20 1x0h h LEU 74 N 0.42 0.17 -0.40 -2.39 3.38 -1.46 -2.12 115.31 112.91 1x0h h LEU 74 Ca 0.11 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 1x0h h LEU 74 Cb -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1x0h h LEU 74 CO -0.02 1.16 -0.80 -0.61 0.09 0.00 0.00 178.44 178.26 1x0h h GLN 75 N 0.03 0.06 0.20 1.13 4.15 -1.11 0.36 115.11 119.93 1x0h h GLN 75 Ca -0.11 -0.06 -0.34 0.00 0.77 0.00 0.00 58.65 58.91 1x0h h GLN 75 Cb 1.89 0.02 0.02 0.00 0.21 0.00 0.00 27.48 29.62 1x0h h GLN 75 CO 0.15 0.83 -1.60 -0.92 -1.93 0.00 0.00 178.83 175.36 1x0h h TYR 76 N 0.04 0.77 0.51 3.99 3.20 -0.66 -3.39 116.97 121.43 1x0h h TYR 76 Ca -0.02 -0.56 -0.03 0.00 3.14 0.00 0.00 58.73 61.27 1x0h h TYR 76 Cb 1.41 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.65 1x0h h TYR 76 CO 0.01 1.57 -0.25 0.93 -1.64 0.00 0.00 178.16 178.79 1x0h h GLU 77 N 0.12 -0.67 0.00 1.82 4.39 -1.44 -3.48 114.58 115.32 1x0h h GLU 77 Ca -0.29 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1x0h h GLU 77 Cb 2.11 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.91 1x0h h GLU 77 CO 0.21 -0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.03 1x0h n GLY 78 N -0.18 0.00 2.88 -3.84 0.00 -0.78 -5.09 105.19 98.19 1x0h n GLY 78 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N 0.00 0.92 -0.16 1.61 1.01 0.12 -5.00 120.40 118.91 1x0h s VAL 79 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 61.98 61.86 1x0h s VAL 79 Cb 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 36.38 35.17 1x0h s VAL 79 CO 0.00 0.33 0.22 0.00 0.00 0.00 0.00 175.10 175.66 1x0h n ALA 80 N 4.97 1.44 -2.57 5.51 0.00 -1.26 -4.16 120.51 124.45 1x0h n ALA 80 Ca -0.12 -1.09 -0.38 0.00 0.00 0.00 0.00 53.44 51.86 1x0h n ALA 80 Cb 0.50 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.53 5.06 -0.02 0.00 1.01 -1.26 0.75 120.40 123.40 1x0h s VAL 81 Ca -0.13 0.94 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1x0h s VAL 81 Cb 0.07 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1x0h s VAL 81 CO 0.79 0.46 -0.25 -0.32 0.00 0.00 0.00 175.10 175.79 1x0h s MET 82 N -0.32 2.04 -0.51 2.72 1.75 -0.26 -4.88 119.30 119.84 1x0h s MET 82 Ca 0.25 -0.89 -0.20 0.00 -1.25 0.00 0.00 55.69 53.60 1x0h s MET 82 Cb -0.16 -1.96 0.05 0.00 2.84 0.00 0.00 34.83 35.60 1x0h s MET 82 CO 0.13 0.53 0.69 0.21 -0.65 0.00 0.00 175.02 175.92 1x0h s LYS 83 N -0.57 3.18 -0.11 4.11 2.20 -1.26 -2.67 119.74 124.63 1x0h s LYS 83 Ca 0.09 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1x0h s LYS 83 Cb -0.10 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.13 1x0h s LYS 83 CO -0.01 -1.25 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.14 1x0h s LEU 84 N 2.90 3.01 -2.06 5.43 1.43 0.10 -4.51 118.68 124.98 1x0h s LEU 84 Ca 0.19 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1x0h s LEU 84 Cb -0.17 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1x0h s LEU 84 CO 0.14 0.25 0.00 0.49 0.23 0.00 0.00 176.35 177.46 1x0h n PHE 85 N 2.95 -0.30 -2.01 0.29 3.72 -1.26 -1.33 117.46 119.52 1x0h n PHE 85 Ca -0.18 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.08 1x0h n PHE 85 Cb 0.53 -3.57 -0.03 0.00 -0.94 0.00 0.00 39.48 35.46 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 -1.52 -4.07 0.00 4.37 9.92 -1.26 -4.52 116.55 119.47 1x0h n ASP 86 Ca -0.22 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1x0h n ASP 86 Cb 0.68 -3.56 0.00 0.00 -0.64 0.00 0.00 41.12 37.59 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x0h n ARG 87 N -2.47 0.00 -1.85 -1.24 1.74 -0.71 -4.95 116.66 107.19 1x0h n ARG 87 Ca -0.16 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 1x0h n ARG 87 Cb 0.56 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.01 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 -1.28 3.25 0.09 7.54 0.00 -0.44 -1.96 121.76 128.96 1x0h s ALA 88 Ca 0.00 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.47 1x0h s ALA 88 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1x0h s ALA 88 CO 0.00 -1.12 -0.24 0.15 0.00 0.00 0.00 175.76 174.55 1x0h s LYS 89 N -2.41 1.39 0.02 0.00 1.02 0.16 -0.73 119.74 119.20 1x0h s LYS 89 Ca 0.60 -1.17 -0.05 0.00 0.02 0.00 0.00 55.97 55.36 1x0h s LYS 89 Cb -0.43 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1x0h s LYS 89 CO 0.55 0.41 0.09 0.08 -0.92 0.00 0.00 175.35 175.56 1x0h s VAL 90 N -0.99 0.11 -0.33 3.17 1.01 -1.09 -1.72 120.40 120.56 1x0h s VAL 90 Ca 0.10 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1x0h s VAL 90 Cb -0.10 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1x0h s VAL 90 CO 0.04 -0.51 0.94 0.21 0.00 0.00 0.00 175.10 175.79 1x0h s ASN 91 N -1.76 6.78 0.43 3.32 2.47 0.11 -1.10 114.94 125.19 1x0h s ASN 91 Ca -0.10 0.80 0.13 0.00 0.42 0.00 0.00 52.86 54.10 1x0h s ASN 91 Cb -0.05 -2.48 0.95 0.00 -1.45 0.00 0.00 41.25 38.22 1x0h s ASN 91 CO -0.02 -0.79 1.98 0.58 -3.72 0.00 0.00 177.10 175.14 1x0h h VAL 92 N 5.71 1.13 -0.44 -5.21 2.07 0.04 0.88 116.25 120.44 1x0h h VAL 92 Ca -0.22 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1x0h h VAL 92 Cb 1.08 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1x0h h VAL 92 CO 0.97 0.18 0.02 -1.13 0.02 0.00 0.00 177.57 177.64 1x0h h ASN 93 N 0.09 0.74 0.74 0.57 -1.24 -1.87 -2.92 115.58 111.69 1x0h h ASN 93 Ca 0.02 -0.29 -0.20 0.00 0.71 0.00 0.00 56.30 56.54 1x0h h ASN 93 Cb 0.30 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 1x0h h ASN 93 CO 0.02 0.85 -1.38 -0.07 -1.29 0.00 0.00 177.43 175.56 1x0h h LEU 94 N 0.60 0.00 -0.42 0.34 3.38 -1.82 -3.31 115.31 114.08 1x0h h LEU 94 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1x0h h LEU 94 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1x0h h LEU 94 CO 0.02 0.72 0.17 0.25 0.09 0.00 0.00 178.44 179.68 1x0h h LEU 95 N 0.00 0.21 -0.78 1.67 5.85 0.81 -1.53 115.31 121.54 1x0h h LEU 95 Ca -0.17 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1x0h h LEU 95 Cb 1.70 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 1x0h h LEU 95 CO 0.06 0.16 -0.44 0.40 -0.34 0.00 0.00 178.44 178.28 1x0h h ILE 96 N 0.35 1.32 -0.58 4.05 2.04 -1.67 -2.94 117.51 120.08 1x0h h ILE 96 Ca 0.19 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 1x0h h ILE 96 Cb 0.15 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1x0h h ILE 96 CO -0.17 0.49 0.27 0.15 0.00 0.00 0.00 178.15 178.89 1x0h h PHE 97 N 0.32 0.81 -0.22 1.37 3.04 -1.46 0.17 116.94 120.96 1x0h h PHE 97 Ca 0.02 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1x0h h PHE 97 Cb 0.90 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 1x0h h PHE 97 CO 0.03 0.60 -0.20 1.25 -2.02 0.00 0.00 178.31 177.96 1x0h h LEU 98 N 0.81 0.55 -0.79 0.59 5.85 -1.15 -3.15 115.31 118.03 1x0h h LEU 98 Ca 0.20 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.33 1x0h h LEU 98 Cb 0.10 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1x0h h LEU 98 CO -0.03 0.91 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.44 1x0h h LEU 99 N 0.21 0.34 -2.55 2.25 3.38 -1.32 0.27 115.31 117.88 1x0h h LEU 99 Ca 0.04 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1x0h h LEU 99 Cb 0.75 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1x0h h LEU 99 CO 0.05 0.76 0.04 -1.13 0.09 0.00 0.00 178.44 178.26 1x0h h ASN 100 N 0.26 0.00 0.00 -0.43 -0.73 -0.64 0.98 115.58 115.02 1x0h h ASN 100 Ca 0.02 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 1x0h h ASN 100 Cb 0.93 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.50 1x0h h ASN 100 CO 0.08 0.00 -1.52 0.29 -0.37 0.00 0.00 177.43 175.90 1x0h n LYS 101 N -3.62 1.62 0.00 6.67 4.01 -1.06 -4.28 118.16 121.50 1x0h n LYS 101 Ca -0.02 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1x0h n LYS 101 Cb 0.12 -1.22 0.00 0.00 -0.51 0.00 0.00 35.03 33.42 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x0h n LYS 102 N -2.11 0.00 -0.04 1.97 4.76 0.92 -4.61 118.16 119.05 1x0h n LYS 102 Ca -0.09 0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.25 1x0h n LYS 102 Cb 0.56 -0.59 -0.08 0.00 -1.84 0.00 0.00 35.03 33.08 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 0.73 -2.07 2.13 0.04 -1.64 -3.44 116.94 112.70 1x0h h PHE 103 Ca 0.00 -0.31 -0.60 0.00 2.80 0.00 0.00 57.97 59.86 1x0h h PHE 103 Cb 0.00 -0.12 0.02 0.00 2.20 0.00 0.00 35.95 38.05 1x0h h PHE 103 CO 0.00 1.08 1.15 0.66 -0.60 0.00 0.00 178.31 180.60 1x0h n TYR 104 N -4.23 2.34 0.00 -0.55 4.02 0.28 -4.54 117.16 114.49 1x0h n TYR 104 Ca -0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1x0h n TYR 104 Cb 0.58 -2.69 0.00 0.00 -0.02 0.00 0.00 39.34 37.21 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 4.54 -2.08 2.58 2.72 0.00 -1.26 -4.49 105.19 107.20 1x0h n GLY 105 Ca 0.23 0.63 -0.21 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.44 -2.59 0.00 1.61 5.02 -1.26 -4.87 118.16 114.63 1x0h n LYS 106 Ca 0.00 0.96 -0.01 0.00 -2.02 0.00 0.00 58.31 57.25 1x0h n LYS 106 Cb 0.00 -5.68 -0.00 0.00 -0.02 0.00 0.00 35.03 29.33 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 -2.15 0.25 0.00 4.39 2.88 -1.26 -5.14 113.62 112.60 1x0h n SER 107 Ca -0.21 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1x0h n SER 107 Cb 0.67 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 2.88 1.97 0.28 0.46 0.00 -1.26 -5.02 105.19 104.50 1x0h n GLY 108 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.76 1x0h n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x0h h PRO 109 N 0.00 0.38 -3.55 1.61 0.11 -2.02 -3.48 132.00 125.05 1x0h h PRO 109 Ca 0.00 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 66.44 1x0h h PRO 109 Cb 0.00 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 30.84 1x0h h PRO 109 CO 0.00 0.25 -1.23 0.43 -0.21 0.00 0.00 178.00 177.24 1x0h n SER 110 N -5.05 -8.08 -3.14 -2.05 7.64 -1.26 -4.99 113.62 96.68 1x0h n SER 110 Ca 0.16 1.41 0.04 0.00 1.01 0.00 0.00 58.87 61.48 1x0h n SER 110 Cb 0.47 -5.01 -0.00 0.00 -1.01 0.00 0.00 64.21 58.66 1x0h n SER 110 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x0h s SER 111 N -7.31 -1.32 0.00 6.43 0.01 -1.26 -5.32 113.70 104.94 1x0h s SER 111 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1x0h s SER 111 Cb 0.00 1.81 0.00 0.00 0.21 0.00 0.00 66.02 68.04 1x0h s SER 111 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03