#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure n PHE 2 N 0.00 4.88 -3.13 0.00 -1.74 -1.26 -4.78 117.46 111.43 1ure n PHE 2 Ca 0.00 -3.66 0.00 0.00 -0.56 0.00 0.00 57.45 53.23 1ure n PHE 2 Cb 0.00 -1.75 -0.01 0.00 1.52 0.00 0.00 39.48 39.24 1ure n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1ure s ASP 3 N 1.23 -1.52 0.00 5.98 1.01 -1.26 -4.60 116.67 117.50 1ure s ASP 3 Ca 0.33 -0.96 0.00 0.00 0.71 0.00 0.00 52.55 52.63 1ure s ASP 3 Cb -0.07 1.96 0.00 0.00 1.01 0.00 0.00 42.92 45.82 1ure s ASP 3 CO -0.05 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.80 1ure n GLY 4 N 4.15 -0.17 3.96 0.21 0.00 -0.26 -5.02 105.19 108.06 1ure n GLY 4 Ca 0.12 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 1ure n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ure s THR 5 N -2.89 4.85 0.04 2.61 2.01 -1.26 0.12 115.64 121.13 1ure s THR 5 Ca 0.00 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1ure s THR 5 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1ure s THR 5 CO 0.00 -0.38 -0.03 0.26 -0.69 0.00 0.00 174.62 173.78 1ure s TRP 6 N -2.20 0.46 -0.40 4.92 0.52 0.75 0.03 118.94 123.01 1ure s TRP 6 Ca 0.40 -0.88 0.08 0.00 0.02 0.00 0.00 56.10 55.71 1ure s TRP 6 Cb -0.09 -0.33 0.18 0.00 -1.15 0.00 0.00 33.47 32.08 1ure s TRP 6 CO 0.33 -0.31 0.62 0.21 0.02 0.00 0.00 176.95 177.83 1ure s LYS 7 N -3.10 0.79 -0.11 4.98 2.20 -1.26 -0.01 119.74 123.24 1ure s LYS 7 Ca -0.00 -0.19 -0.37 0.00 -0.36 0.00 0.00 55.97 55.05 1ure s LYS 7 Cb 0.02 0.11 -0.18 0.00 -1.51 0.00 0.00 37.83 36.27 1ure s LYS 7 CO -0.07 -1.18 1.07 1.55 -0.36 0.00 0.00 175.35 176.36 1ure n VAL 8 N 4.52 0.00 -0.11 4.02 3.14 -0.97 -3.94 118.33 124.98 1ure n VAL 8 Ca 0.10 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.37 1ure n VAL 8 Cb 0.57 -0.11 -0.15 0.00 -1.06 0.00 0.00 33.84 33.08 1ure n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ure n ASP 9 N 1.90 0.47 -3.57 6.55 2.03 0.12 -4.78 116.55 119.26 1ure n ASP 9 Ca 0.20 -0.03 -0.08 0.00 0.52 0.00 0.00 54.79 55.40 1ure n ASP 9 Cb 0.04 0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 41.06 1ure n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ure s ARG 10 N -2.50 0.53 0.08 -0.67 1.70 -1.07 -5.04 118.95 111.98 1ure s ARG 10 Ca -0.16 -0.00 0.01 0.00 -0.47 0.00 0.00 55.73 55.11 1ure s ARG 10 Cb 0.07 0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1ure s ARG 10 CO 0.78 -0.19 0.08 0.09 -1.08 0.00 0.00 175.30 174.97 1ure n ASN 11 N 0.37 0.95 0.00 -2.89 4.13 -1.26 0.31 115.26 116.86 1ure n ASN 11 Ca -0.07 -1.25 0.00 0.00 1.68 0.00 0.00 54.58 54.94 1ure n ASN 11 Cb 0.59 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 1ure n ASN 11 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ure n GLU 12 N -0.84 0.00 -0.73 3.52 0.00 -0.71 -4.82 120.64 117.05 1ure n GLU 12 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.15 1ure n GLU 12 Cb 0.09 0.00 0.20 0.00 0.00 0.00 0.00 31.44 31.73 1ure n GLU 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ure n ASN 13 N -2.25 2.56 0.26 4.31 5.15 -1.26 -4.68 115.26 119.34 1ure n ASN 13 Ca 0.00 -3.69 0.16 0.00 -0.60 0.00 0.00 54.58 50.45 1ure n ASN 13 Cb 0.00 -0.61 0.56 0.00 -0.53 0.00 0.00 39.78 39.20 1ure n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ure h TYR 14 N 1.05 0.00 0.00 1.20 5.03 -1.77 -2.66 116.97 119.83 1ure h TYR 14 Ca 0.18 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.30 1ure h TYR 14 Cb 1.57 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.83 1ure h TYR 14 CO 0.93 0.00 -0.86 1.05 -1.32 0.00 0.00 178.16 177.96 1ure h GLU 15 N 0.00 0.05 0.06 1.82 4.11 -1.90 -2.80 114.58 115.92 1ure h GLU 15 Ca 0.00 -0.06 -0.24 0.00 0.07 0.00 0.00 59.36 59.14 1ure h GLU 15 Cb 0.62 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ure h GLU 15 CO 0.00 0.88 -1.10 -0.22 0.07 0.00 0.00 179.01 178.64 1ure h LYS 16 N 0.02 0.13 -0.25 1.06 1.63 -1.89 -2.72 116.57 114.56 1ure h LYS 16 Ca -0.02 -0.22 -0.16 0.00 -0.85 0.00 0.00 60.65 59.40 1ure h LYS 16 Cb 1.51 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 33.22 1ure h LYS 16 CO 0.12 1.10 -0.50 0.35 -3.45 0.00 0.00 179.45 177.06 1ure h PHE 17 N 0.04 0.86 0.00 1.91 3.04 -1.48 -2.34 116.94 118.96 1ure h PHE 17 Ca -0.07 -0.29 -0.04 0.00 3.98 0.00 0.00 57.97 61.55 1ure h PHE 17 Cb 1.85 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.19 1ure h PHE 17 CO 0.03 1.05 -0.19 0.52 -2.02 0.00 0.00 178.31 177.71 1ure h MET 18 N 0.54 0.00 0.00 1.11 2.86 -1.56 -2.92 114.93 114.97 1ure h MET 18 Ca 0.02 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.47 1ure h MET 18 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1ure h MET 18 CO 0.10 0.19 -0.86 1.49 1.06 0.00 0.00 176.91 178.90 1ure h GLU 19 N 0.00 0.11 0.00 1.72 4.22 -1.12 0.15 114.58 119.67 1ure h GLU 19 Ca -0.00 -0.12 -0.08 0.00 0.08 0.00 0.00 59.36 59.24 1ure h GLU 19 Cb 0.91 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1ure h GLU 19 CO 0.02 0.90 -0.38 -0.22 -2.18 0.00 0.00 179.01 177.16 1ure h LYS 20 N 0.06 0.00 0.01 1.92 1.63 -1.25 -2.25 116.57 116.69 1ure h LYS 20 Ca -0.03 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.56 1ure h LYS 20 Cb 1.49 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.09 1ure h LYS 20 CO 0.12 0.38 -0.99 0.52 -3.45 0.00 0.00 179.45 176.03 1ure h MET 21 N 0.00 0.02 0.00 1.90 2.86 -1.49 -3.48 114.93 114.75 1ure h MET 21 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ure h MET 21 Cb 0.68 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1ure h MET 21 CO 0.05 0.99 0.00 0.41 1.06 0.00 0.00 176.91 179.42 1ure n GLY 22 N 1.27 1.58 3.75 8.32 0.00 -0.85 -5.02 105.19 114.24 1ure n GLY 22 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ure n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ure s ILE 23 N -2.00 2.93 0.44 -0.61 -1.09 0.51 -4.99 121.20 116.39 1ure s ILE 23 Ca 0.00 0.80 -0.22 0.00 -2.23 0.00 0.00 60.65 59.00 1ure s ILE 23 Cb 0.00 -3.51 -0.09 0.00 -1.58 0.00 0.00 42.46 37.28 1ure s ILE 23 CO 0.00 0.14 1.05 0.20 -1.23 0.00 0.00 174.94 175.09 1ure s ASN 24 N 0.17 6.55 0.01 3.58 0.01 -1.26 -4.63 114.94 119.37 1ure s ASN 24 Ca 0.56 2.00 -0.01 0.00 -0.71 0.00 0.00 52.86 54.69 1ure s ASN 24 Cb -0.39 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.70 1ure s ASN 24 CO 0.43 -0.63 0.07 0.52 -1.51 0.00 0.00 177.10 175.97 1ure n VAL 25 N -0.49 -0.03 0.03 1.60 0.31 -1.26 0.12 118.33 118.61 1ure n VAL 25 Ca 0.07 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1ure n VAL 25 Cb 0.51 -0.13 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1ure h VAL 26 N 0.00 1.34 -0.57 2.52 -1.51 -1.98 -3.04 116.25 113.02 1ure h VAL 26 Ca 0.01 -2.10 -0.04 0.00 -1.23 0.00 0.00 66.70 63.34 1ure h VAL 26 Cb 0.02 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 1ure h VAL 26 CO -0.04 0.64 0.20 0.11 -1.23 0.00 0.00 177.57 177.25 1ure h LYS 27 N 0.37 0.87 0.00 5.19 1.57 0.51 0.63 116.57 125.71 1ure h LYS 27 Ca -0.04 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1ure h LYS 27 Cb 1.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1ure h LYS 27 CO 0.14 0.77 -0.35 0.07 -0.57 0.00 0.00 179.45 179.51 1ure h ARG 28 N 0.79 0.00 0.01 3.15 0.11 -1.53 -1.59 114.38 115.32 1ure h ARG 28 Ca 0.19 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.01 1ure h ARG 28 Cb 0.25 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.34 1ure h ARG 28 CO -0.01 0.35 -1.01 -0.22 0.10 0.00 0.00 179.97 179.17 1ure h LYS 29 N 0.00 0.56 0.01 0.08 3.64 -1.35 -2.31 116.57 117.20 1ure h LYS 29 Ca -0.00 -0.61 -0.20 0.00 -1.27 0.00 0.00 60.65 58.57 1ure h LYS 29 Cb 1.21 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1ure h LYS 29 CO 0.05 1.23 -0.90 1.25 -2.27 0.00 0.00 179.45 178.80 1ure h LEU 30 N 0.31 0.14 -0.68 5.20 7.12 0.25 -3.13 115.31 124.51 1ure h LEU 30 Ca -0.11 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.75 1ure h LEU 30 Cb 1.66 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1ure h LEU 30 CO 0.19 0.97 -0.12 1.23 -0.13 0.00 0.00 178.44 180.58 1ure h GLY 31 N 2.21 0.00 1.84 3.75 0.00 -1.29 1.11 103.07 110.69 1ure h GLY 31 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1ure h GLY 31 CO 0.13 0.00 -1.00 0.00 0.00 0.00 0.00 176.54 175.67 1ure h ALA 32 N 1.88 0.37 0.00 3.60 0.00 -1.39 -3.35 119.26 120.37 1ure h ALA 32 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1ure h ALA 32 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ure h ALA 32 CO 0.02 1.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.93 1ure n HIS 33 N -3.52 0.00 0.33 0.00 1.44 -1.19 -4.71 115.22 107.57 1ure n HIS 33 Ca -0.03 -0.07 0.02 0.00 -2.01 0.00 0.00 57.72 55.63 1ure n HIS 33 Cb 0.90 -0.01 0.12 0.00 0.12 0.00 0.00 29.99 31.13 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 1ure h ASP 34 N 0.00 0.00 -0.93 4.39 3.04 0.12 -3.44 116.42 119.60 1ure h ASP 34 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 1ure h ASP 34 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1ure h ASP 34 CO 0.00 0.00 -0.14 0.59 -2.04 0.00 0.00 179.24 177.65 1ure n ASN 35 N -2.55 -2.34 -4.46 4.15 3.02 -1.26 -4.09 115.26 107.74 1ure n ASN 35 Ca -0.00 -0.02 -0.45 0.00 -0.03 0.00 0.00 54.58 54.07 1ure n ASN 35 Cb 0.90 -1.60 -0.11 0.00 -0.61 0.00 0.00 39.78 38.36 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ure n LEU 36 N -0.86 1.07 -4.51 3.41 0.00 -1.26 -4.73 117.00 110.13 1ure n LEU 36 Ca -0.05 0.18 -0.42 0.00 0.00 0.00 0.00 56.01 55.71 1ure n LEU 36 Cb 0.54 -1.10 -0.09 0.00 0.00 0.00 0.00 43.42 42.77 1ure n LEU 36 CO 0.08 -0.89 0.08 -0.75 0.00 0.00 0.00 177.39 175.92 1ure s LYS 37 N 7.87 3.28 -0.36 1.96 2.20 -1.13 -2.30 119.74 131.26 1ure s LYS 37 Ca 1.22 -0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.10 1ure s LYS 37 Cb -1.03 -3.90 0.01 0.00 -1.51 0.00 0.00 37.83 31.40 1ure s LYS 37 CO 0.48 -0.72 0.20 -0.51 -0.36 0.00 0.00 175.35 174.44 1ure s LEU 38 N 2.10 4.57 -0.86 5.43 1.02 0.99 -1.82 118.68 130.11 1ure s LEU 38 Ca 0.12 -0.81 -0.19 0.00 0.02 0.00 0.00 54.13 53.27 1ure s LEU 38 Cb -0.17 -2.04 0.12 0.00 0.02 0.00 0.00 46.19 44.12 1ure s LEU 38 CO 0.13 -0.33 1.07 -0.89 0.02 0.00 0.00 176.35 176.35 1ure s THR 39 N 1.60 4.69 -0.06 5.49 2.01 -0.99 -0.18 115.64 128.20 1ure s THR 39 Ca 0.03 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.37 1ure s THR 39 Cb -0.18 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.56 1ure s THR 39 CO 0.07 -1.46 1.20 -0.63 -0.69 0.00 0.00 174.62 173.10 1ure s ILE 40 N 2.85 4.27 -0.38 1.82 1.01 0.33 -2.15 121.20 128.94 1ure s ILE 40 Ca 0.29 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.55 1ure s ILE 40 Cb -0.08 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.48 1ure s ILE 40 CO -0.05 -0.01 0.16 -0.89 0.00 0.00 0.00 174.94 174.15 1ure s THR 41 N 2.24 1.43 -0.09 2.92 2.01 -1.23 -1.10 115.64 121.83 1ure s THR 41 Ca 0.56 -2.16 -0.24 0.00 0.31 0.00 0.00 61.69 60.16 1ure s THR 41 Cb -0.24 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1ure s THR 41 CO 0.22 -0.76 0.75 -1.58 -0.69 0.00 0.00 174.62 172.55 1ure s GLN 42 N 0.85 4.41 -0.34 4.92 0.74 -1.26 -1.15 119.66 127.83 1ure s GLN 42 Ca 0.14 0.95 -0.01 0.00 0.05 0.00 0.00 55.36 56.49 1ure s GLN 42 Cb -0.21 -3.48 0.13 0.00 1.10 0.00 0.00 33.01 30.55 1ure s GLN 42 CO -0.10 -0.04 0.20 -2.00 -0.55 0.00 0.00 175.29 172.80 1ure s GLU 43 N 1.14 0.52 -0.85 1.67 2.12 0.20 -4.93 118.70 118.57 1ure s GLU 43 Ca 0.39 -1.22 -0.04 0.00 0.36 0.00 0.00 54.97 54.46 1ure s GLU 43 Cb -0.18 -1.33 -0.00 0.00 0.26 0.00 0.00 34.13 32.88 1ure s GLU 43 CO 0.18 -1.17 0.68 0.41 -0.54 0.00 0.00 175.26 174.81 1ure n GLY 44 N 4.24 -1.23 3.32 -1.50 0.00 -1.26 -2.07 105.19 106.70 1ure n GLY 44 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1ure n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 45 N -2.30 0.00 -4.82 1.61 5.03 -1.26 -5.00 115.26 108.52 1ure n ASN 45 Ca -0.15 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.93 1ure n ASN 45 Cb 0.60 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.30 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1ure s LYS 46 N -0.06 4.22 -0.32 3.52 2.20 -0.88 -3.37 119.74 125.06 1ure s LYS 46 Ca 0.00 0.80 0.02 0.00 -0.36 0.00 0.00 55.97 56.43 1ure s LYS 46 Cb 0.00 -3.02 0.10 0.00 -1.51 0.00 0.00 37.83 33.40 1ure s LYS 46 CO 0.00 0.49 0.05 -0.06 -0.36 0.00 0.00 175.35 175.47 1ure s PHE 47 N -1.37 3.03 -1.19 4.03 0.08 -1.24 0.61 117.98 121.92 1ure s PHE 47 Ca 0.38 -2.50 -0.18 0.00 0.12 0.00 0.00 56.93 54.75 1ure s PHE 47 Cb -0.18 -2.42 0.10 0.00 -0.57 0.00 0.00 43.02 39.95 1ure s PHE 47 CO 0.21 -0.91 1.55 -0.08 -0.10 0.00 0.00 175.22 175.89 1ure s THR 48 N 1.16 4.36 -0.85 0.64 -1.32 -0.30 -1.36 115.64 117.96 1ure s THR 48 Ca 0.09 -1.83 -0.26 0.00 -1.21 0.00 0.00 61.69 58.48 1ure s THR 48 Cb -0.18 -5.06 -0.12 0.00 -1.51 0.00 0.00 72.50 65.62 1ure s THR 48 CO -0.13 -1.87 2.26 0.54 -2.21 0.00 0.00 174.62 173.21 1ure s VAL 49 N 3.60 3.14 0.51 5.08 0.11 -0.48 -3.56 120.40 128.80 1ure s VAL 49 Ca 0.48 -0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 59.18 1ure s VAL 49 Cb 0.01 -3.38 -0.06 0.00 -1.53 0.00 0.00 36.38 31.42 1ure s VAL 49 CO 0.01 -0.29 1.29 -0.75 -3.33 0.00 0.00 175.10 172.03 1ure s LYS 50 N 8.32 3.37 -0.42 1.54 2.20 -0.91 0.97 119.74 134.79 1ure s LYS 50 Ca 0.85 2.08 0.06 0.00 -0.36 0.00 0.00 55.97 58.60 1ure s LYS 50 Cb -0.10 -2.32 0.21 0.00 -1.51 0.00 0.00 37.83 34.11 1ure s LYS 50 CO 0.06 -0.96 0.51 -1.91 -0.36 0.00 0.00 175.35 172.69 1ure n GLU 51 N -0.82 0.49 -1.85 4.03 2.13 -1.07 -2.35 120.64 121.20 1ure n GLU 51 Ca 0.09 -2.92 -0.41 0.00 0.66 0.00 0.00 57.16 54.57 1ure n GLU 51 Cb 0.46 -1.45 -0.02 0.00 0.27 0.00 0.00 31.44 30.71 1ure n GLU 51 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ure n SER 52 N 2.16 3.81 -2.04 4.31 7.64 -0.75 -4.18 113.62 124.56 1ure n SER 52 Ca 0.23 -2.82 -0.23 0.00 1.01 0.00 0.00 58.87 57.07 1ure n SER 52 Cb 0.52 -1.59 0.06 0.00 -1.01 0.00 0.00 64.21 62.19 1ure n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ure n SER 53 N 7.58 6.74 0.00 6.43 3.41 -1.25 -2.86 113.62 133.68 1ure n SER 53 Ca 0.50 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1ure n SER 53 Cb 0.42 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1ure n SER 53 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ure n ASN 54 N -0.12 0.00 0.00 4.04 2.85 -1.26 -4.63 115.26 116.14 1ure n ASN 54 Ca 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1ure n ASN 54 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 1ure n ASN 54 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ure n PHE 55 N 0.00 0.00 -4.07 1.20 3.72 -1.26 -4.84 117.46 112.21 1ure n PHE 55 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1ure n PHE 55 Cb 0.00 -0.31 -0.12 0.00 -0.94 0.00 0.00 39.48 38.11 1ure n PHE 55 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ure s ARG 56 N -2.22 0.44 -1.14 -1.08 3.03 -1.26 -5.07 118.95 111.65 1ure s ARG 56 Ca 0.00 -0.52 -0.11 0.00 2.03 0.00 0.00 55.73 57.13 1ure s ARG 56 Cb 0.00 -0.28 0.23 0.00 -1.03 0.00 0.00 34.95 33.87 1ure s ARG 56 CO 0.00 0.06 1.24 0.54 -1.13 0.00 0.00 175.30 176.01 1ure s ASN 57 N -1.01 7.20 -0.25 -2.89 2.20 -1.26 -3.76 114.94 115.17 1ure s ASN 57 Ca -0.06 -3.31 -0.05 0.00 -0.94 0.00 0.00 52.86 48.51 1ure s ASN 57 Cb -0.07 -2.29 0.00 0.00 -2.00 0.00 0.00 41.25 36.89 1ure s ASN 57 CO 0.00 -0.49 0.00 -0.51 -2.94 0.00 0.00 177.10 173.16 1ure s ILE 58 N 0.00 3.58 -0.07 0.54 1.10 -1.26 -4.95 121.20 120.14 1ure s ILE 58 Ca 0.35 -0.60 -0.30 0.00 -0.51 0.00 0.00 60.65 59.60 1ure s ILE 58 Cb -0.07 -2.73 -0.05 0.00 0.15 0.00 0.00 42.46 39.76 1ure s ILE 58 CO -0.05 0.27 1.62 -1.81 -2.11 0.00 0.00 174.94 172.87 1ure s ASP 59 N 1.48 6.66 -1.13 4.50 1.01 -1.26 -2.58 116.67 125.35 1ure s ASP 59 Ca 0.04 2.15 -0.05 0.00 0.71 0.00 0.00 52.55 55.40 1ure s ASP 59 Cb -0.16 -2.53 0.27 0.00 1.01 0.00 0.00 42.92 41.51 1ure s ASP 59 CO -0.01 -0.94 1.61 0.52 0.21 0.00 0.00 175.17 176.56 1ure n VAL 60 N 5.55 5.14 -1.81 -1.27 0.31 0.27 -4.82 118.33 121.70 1ure n VAL 60 Ca 0.17 -5.55 -0.43 0.00 -0.01 0.00 0.00 64.34 58.53 1ure n VAL 60 Cb 0.43 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 31.21 1ure n VAL 60 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1ure s VAL 61 N -2.07 3.26 -0.32 2.52 -7.23 -1.26 -1.39 120.40 113.92 1ure s VAL 61 Ca 0.34 0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 1ure s VAL 61 Cb 0.07 -3.31 0.11 0.00 0.56 0.00 0.00 36.38 33.81 1ure s VAL 61 CO 0.07 -0.17 0.15 -0.36 -0.31 0.00 0.00 175.10 174.47 1ure s PHE 62 N 6.97 0.90 0.33 2.82 0.08 -0.47 -4.94 117.98 123.68 1ure s PHE 62 Ca 0.88 -1.38 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 1ure s PHE 62 Cb -0.30 -1.20 -0.11 0.00 -0.57 0.00 0.00 43.02 40.85 1ure s PHE 62 CO 0.34 -0.84 1.42 -1.21 -0.10 0.00 0.00 175.22 174.84 1ure s GLU 63 N 1.63 4.22 0.29 0.44 2.02 -1.26 -3.72 118.70 122.33 1ure s GLU 63 Ca 0.12 2.40 -0.30 0.00 0.02 0.00 0.00 54.97 57.21 1ure s GLU 63 Cb -0.18 -3.03 -0.11 0.00 0.10 0.00 0.00 34.13 30.90 1ure s GLU 63 CO -0.23 -0.40 1.60 -0.51 0.02 0.00 0.00 175.26 175.74 1ure s LEU 64 N -1.58 4.34 0.00 1.80 1.02 -1.22 -1.30 118.68 121.75 1ure s LEU 64 Ca 0.53 2.95 0.00 0.00 0.02 0.00 0.00 54.13 57.63 1ure s LEU 64 Cb -0.43 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.14 1ure s LEU 64 CO 0.55 -0.92 0.00 0.61 0.02 0.00 0.00 176.35 176.61 1ure n GLY 65 N 2.24 0.65 3.46 -3.19 0.00 -1.15 -4.96 105.19 102.23 1ure n GLY 65 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1ure n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ure s VAL 66 N -2.83 4.93 -0.75 1.61 1.01 -0.42 -4.96 120.40 118.99 1ure s VAL 66 Ca 0.00 -2.27 -0.24 0.00 0.00 0.00 0.00 61.98 59.47 1ure s VAL 66 Cb 0.00 -4.86 -0.16 0.00 0.00 0.00 0.00 36.38 31.35 1ure s VAL 66 CO 0.00 -1.58 2.44 -0.67 0.00 0.00 0.00 175.10 175.29 1ure n ASP 67 N 5.96 1.18 -4.58 3.32 2.03 -1.26 -4.68 116.55 118.53 1ure n ASP 67 Ca 0.32 -0.64 -0.25 0.00 0.52 0.00 0.00 54.79 54.75 1ure n ASP 67 Cb 0.45 -1.31 0.12 0.00 -0.72 0.00 0.00 41.12 39.66 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1ure s PHE 68 N 10.45 1.54 -0.04 -0.67 -0.71 -1.18 -4.85 117.98 122.52 1ure s PHE 68 Ca 1.10 -0.19 0.05 0.00 -1.04 0.00 0.00 56.93 56.85 1ure s PHE 68 Cb -0.49 -3.18 -0.01 0.00 -1.21 0.00 0.00 43.02 38.13 1ure s PHE 68 CO 0.31 -1.89 -0.20 0.00 -1.34 0.00 0.00 175.22 172.10 1ure s ALA 69 N -3.28 1.74 -0.26 1.99 0.00 -1.26 -2.80 121.76 117.89 1ure s ALA 69 Ca 0.68 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1ure s ALA 69 Cb -0.05 -0.54 0.14 0.00 0.00 0.00 0.00 23.12 22.68 1ure s ALA 69 CO 0.46 0.35 0.51 -0.47 0.00 0.00 0.00 175.76 176.61 1ure s TYR 70 N -0.13 -1.18 1.24 0.00 5.04 0.99 -4.97 117.35 118.34 1ure s TYR 70 Ca -0.01 1.55 -0.19 0.00 -2.44 0.00 0.00 57.07 55.98 1ure s TYR 70 Cb -0.11 0.41 0.30 0.00 0.35 0.00 0.00 41.96 42.90 1ure s TYR 70 CO 0.02 -0.72 1.06 -1.54 -1.34 0.00 0.00 175.55 173.03 1ure s SER 71 N 2.73 0.58 0.00 4.32 1.04 -1.26 -2.58 113.70 118.53 1ure s SER 71 Ca 0.09 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1ure s SER 71 Cb -0.14 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1ure s SER 71 CO -0.18 -4.35 0.00 0.18 0.98 0.00 0.00 173.24 169.87 1ure n LEU 72 N -4.94 0.00 -0.13 2.42 4.77 -1.26 -4.71 117.00 113.16 1ure n LEU 72 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.12 1ure n LEU 72 Cb 0.59 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1ure n LEU 72 CO 0.47 0.00 0.54 0.00 -1.33 0.00 0.00 177.39 177.06 1ure n ALA 73 N -3.00 2.10 0.00 -1.18 0.00 -1.26 -4.56 120.51 112.61 1ure n ALA 73 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1ure n ALA 73 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1ure n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ure n ASP 74 N -0.53 0.00 -0.01 0.00 2.03 -1.26 -4.97 116.55 111.81 1ure n ASP 74 Ca 0.05 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.42 1ure n ASP 74 Cb 0.36 0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 40.78 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ure n GLY 75 N 0.95 -0.20 0.66 0.27 0.00 -1.26 -5.06 105.19 100.55 1ure n GLY 75 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1ure n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ure n THR 76 N -1.26 -0.97 -1.12 2.61 -2.24 -1.26 -4.91 114.28 105.13 1ure n THR 76 Ca 0.03 0.56 0.04 0.00 -2.27 0.00 0.00 64.05 62.40 1ure n THR 76 Cb 0.20 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.50 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ure n GLU 77 N -2.34 -1.71 0.00 -0.78 1.02 -1.26 -4.59 120.64 110.98 1ure n GLU 77 Ca -0.01 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.48 1ure n GLU 77 Cb 0.24 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1ure n GLU 77 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ure n LEU 78 N -2.89 0.00 -3.57 -4.62 7.94 -1.06 -4.61 117.00 108.19 1ure n LEU 78 Ca -0.02 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1ure n LEU 78 Cb 0.26 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.17 1ure n LEU 78 CO 0.01 0.00 0.30 -0.89 -1.11 0.00 0.00 177.39 175.70 1ure s THR 79 N -2.00 -0.92 0.00 1.96 2.01 0.26 -0.01 115.64 116.94 1ure s THR 79 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ure s THR 79 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1ure s THR 79 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1ure n GLY 80 N 5.38 2.21 3.26 4.40 0.00 -1.12 -0.98 105.19 118.34 1ure n GLY 80 Ca -0.11 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1ure n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 81 N -2.74 0.09 0.11 2.61 -4.23 0.00 -3.09 115.64 108.39 1ure s THR 81 Ca 0.00 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1ure s THR 81 Cb 0.00 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1ure s THR 81 CO 0.00 -0.42 0.08 0.26 -0.54 0.00 0.00 174.62 174.00 1ure s TRP 82 N -3.97 3.12 -0.13 3.99 0.52 -1.26 -1.04 118.94 120.16 1ure s TRP 82 Ca 0.17 0.02 -0.14 0.00 0.02 0.00 0.00 56.10 56.17 1ure s TRP 82 Cb 0.05 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1ure s TRP 82 CO -0.01 0.51 0.39 -0.08 0.02 0.00 0.00 176.95 177.78 1ure s THR 83 N -1.50 0.01 -0.43 2.01 -1.32 -1.19 -2.95 115.64 110.26 1ure s THR 83 Ca 0.29 -0.05 -0.21 0.00 -1.21 0.00 0.00 61.69 60.51 1ure s THR 83 Cb -0.11 -0.57 0.02 0.00 -1.51 0.00 0.00 72.50 70.33 1ure s THR 83 CO 0.22 -0.03 0.66 -0.32 -2.21 0.00 0.00 174.62 172.94 1ure s MET 84 N 0.04 3.32 0.00 7.08 1.75 -1.26 0.21 119.30 130.44 1ure s MET 84 Ca -0.01 -0.31 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1ure s MET 84 Cb -0.03 -3.94 0.00 0.00 2.84 0.00 0.00 34.83 33.70 1ure s MET 84 CO 0.01 -1.00 0.00 0.39 -0.65 0.00 0.00 175.02 173.77 1ure n GLU 85 N 6.29 1.24 -2.84 4.11 1.02 0.02 -4.93 120.64 125.56 1ure n GLU 85 Ca -0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.70 1ure n GLU 85 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 1ure n GLU 85 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ure s GLY 86 N 0.00 1.65 -0.07 0.62 0.00 -1.26 -4.44 107.32 103.83 1ure s GLY 86 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 44.72 42.30 1ure s GLY 86 CO 0.00 2.15 0.00 1.16 0.00 0.00 0.00 173.10 176.41 1ure n ASN 87 N 7.29 -4.09 -3.96 1.64 0.23 -1.26 -4.91 115.26 110.20 1ure n ASN 87 Ca 0.18 0.02 -0.19 0.00 -0.53 0.00 0.00 54.58 54.06 1ure n ASN 87 Cb 0.48 -2.60 -0.15 0.00 -2.08 0.00 0.00 39.78 35.43 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1ure s LYS 88 N -1.45 0.81 -0.00 -3.83 3.01 -1.26 -4.95 119.74 112.07 1ure s LYS 88 Ca 0.00 -0.23 -0.21 0.00 -1.01 0.00 0.00 55.97 54.52 1ure s LYS 88 Cb 0.00 -0.78 -0.05 0.00 -1.01 0.00 0.00 37.83 35.99 1ure s LYS 88 CO 0.00 0.06 0.62 -1.17 0.51 0.00 0.00 175.35 175.37 1ure s LEU 89 N 0.31 4.41 0.00 3.17 0.20 -1.23 -0.80 118.68 124.75 1ure s LEU 89 Ca -0.04 1.19 0.01 0.00 0.69 0.00 0.00 54.13 55.98 1ure s LEU 89 Cb -0.09 -2.96 0.01 0.00 -0.43 0.00 0.00 46.19 42.72 1ure s LEU 89 CO 0.00 0.08 0.07 0.52 -0.29 0.00 0.00 176.35 176.74 1ure n VAL 90 N 2.80 0.00 -3.15 1.68 0.31 0.13 -0.34 118.33 119.76 1ure n VAL 90 Ca -0.06 -0.65 0.04 0.00 -0.01 0.00 0.00 64.34 63.67 1ure n VAL 90 Cb 0.51 -0.18 -0.01 0.00 -0.91 0.00 0.00 33.84 33.24 1ure n VAL 90 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ure s GLY 91 N -2.11 -0.81 -0.09 2.92 0.00 0.22 -3.19 107.32 104.26 1ure s GLY 91 Ca 0.06 2.10 0.01 0.00 0.00 0.00 0.00 44.72 46.89 1ure s GLY 91 CO 0.04 3.56 -0.10 0.54 0.00 0.00 0.00 173.10 177.13 1ure s LYS 92 N 2.89 2.99 -0.11 2.90 -0.14 -0.21 0.75 119.74 128.81 1ure s LYS 92 Ca 0.13 -0.62 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 1ure s LYS 92 Cb -0.13 -2.59 0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1ure s LYS 92 CO -0.18 0.47 0.04 -0.06 -0.76 0.00 0.00 175.35 174.86 1ure s PHE 93 N -0.30 0.46 -0.12 3.18 0.08 0.29 -0.82 117.98 120.75 1ure s PHE 93 Ca 0.03 -0.21 -0.08 0.00 0.12 0.00 0.00 56.93 56.79 1ure s PHE 93 Cb -0.13 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 1ure s PHE 93 CO 0.03 -0.38 0.16 0.15 -0.10 0.00 0.00 175.22 175.07 1ure s LYS 94 N 2.04 3.55 1.02 0.44 1.02 -0.15 0.47 119.74 128.13 1ure s LYS 94 Ca 0.03 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 55.76 1ure s LYS 94 Cb -0.14 -3.22 0.20 0.00 -0.52 0.00 0.00 37.83 34.16 1ure s LYS 94 CO -0.06 0.72 1.17 1.03 -0.92 0.00 0.00 175.35 177.29 1ure s ARG 95 N -0.88 0.21 -0.10 1.68 1.81 -1.26 0.91 118.95 121.32 1ure s ARG 95 Ca 0.15 0.01 -0.05 0.00 -1.72 0.00 0.00 55.73 54.12 1ure s ARG 95 Cb -0.12 -1.76 -0.02 0.00 -0.45 0.00 0.00 34.95 32.61 1ure s ARG 95 CO 0.04 -2.77 -0.09 0.28 -0.68 0.00 0.00 175.30 172.07 1ure h VAL 96 N -1.91 0.00 -0.19 3.52 2.07 -1.88 -2.69 116.25 115.17 1ure h VAL 96 Ca -0.47 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1ure h VAL 96 Cb 1.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ure h VAL 96 CO 0.47 0.00 0.15 -0.78 0.02 0.00 0.00 177.57 177.43 1ure h ASP 97 N -0.83 0.00 0.00 0.57 3.58 -1.96 -3.29 116.42 114.49 1ure h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ure h ASP 97 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1ure h ASP 97 CO 0.00 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 175.90 1ure n ASN 98 N -4.35 0.22 -4.04 2.28 6.94 -1.26 -5.04 115.26 110.00 1ure n ASN 98 Ca 0.02 -0.62 -0.31 0.00 -0.02 0.00 0.00 54.58 53.65 1ure n ASN 98 Cb 0.29 0.22 -0.01 0.00 -2.36 0.00 0.00 39.78 37.92 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ure n GLY 99 N 0.22 -0.41 0.00 4.83 0.00 -1.01 -4.93 105.19 103.88 1ure n GLY 99 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ure n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ure n LYS 100 N -4.48 0.00 0.00 1.61 4.76 -1.26 -4.77 118.16 114.02 1ure n LYS 100 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1ure n LYS 100 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 1ure n LYS 100 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ure n GLU 101 N 0.00 0.00 -3.96 1.97 0.00 -1.26 -4.79 120.64 112.61 1ure n GLU 101 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 1ure n GLU 101 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1ure s LEU 102 N 0.00 2.53 0.26 -1.84 0.20 0.18 -3.63 118.68 116.37 1ure s LEU 102 Ca 0.00 -1.11 0.06 0.00 0.69 0.00 0.00 54.13 53.77 1ure s LEU 102 Cb 0.00 -1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 1ure s LEU 102 CO 0.00 -0.21 0.34 -0.51 -0.29 0.00 0.00 176.35 175.68 1ure s ILE 103 N 1.38 4.93 -0.25 6.68 1.10 0.61 0.11 121.20 135.76 1ure s ILE 103 Ca -0.05 -1.08 -0.16 0.00 -0.51 0.00 0.00 60.65 58.85 1ure s ILE 103 Cb -0.18 -3.70 0.07 0.00 0.15 0.00 0.00 42.46 38.80 1ure s ILE 103 CO -0.07 -0.31 0.62 0.00 -2.11 0.00 0.00 174.94 173.08 1ure s ALA 104 N -2.04 -1.65 -0.19 1.50 0.00 0.23 -1.56 121.76 118.05 1ure s ALA 104 Ca 0.35 2.12 0.01 0.00 0.00 0.00 0.00 51.96 54.45 1ure s ALA 104 Cb -0.09 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1ure s ALA 104 CO 0.28 -0.34 -0.18 0.54 0.00 0.00 0.00 175.76 176.06 1ure s VAL 105 N 1.34 2.02 -1.01 0.00 0.11 0.42 0.70 120.40 123.97 1ure s VAL 105 Ca -0.08 -1.02 -0.19 0.00 -2.93 0.00 0.00 61.98 57.76 1ure s VAL 105 Cb -0.06 -1.88 0.11 0.00 -1.53 0.00 0.00 36.38 33.02 1ure s VAL 105 CO -0.14 0.44 1.29 -0.13 -3.33 0.00 0.00 175.10 173.22 1ure s ARG 106 N 1.28 3.68 -1.04 1.54 0.52 0.53 -1.61 118.95 123.87 1ure s ARG 106 Ca 0.03 -1.71 -0.16 0.00 -0.52 0.00 0.00 55.73 53.37 1ure s ARG 106 Cb -0.14 -5.10 0.17 0.00 0.52 0.00 0.00 34.95 30.40 1ure s ARG 106 CO -0.11 -1.92 1.21 -2.00 0.02 0.00 0.00 175.30 172.49 1ure s GLU 107 N 3.26 3.83 -0.79 3.54 -6.30 0.21 -3.47 118.70 118.99 1ure s GLU 107 Ca 0.39 -2.25 -0.25 0.00 -2.50 0.00 0.00 54.97 50.36 1ure s GLU 107 Cb -0.03 -4.90 -0.08 0.00 0.00 0.00 0.00 34.13 29.12 1ure s GLU 107 CO -0.07 -1.68 2.15 -1.50 0.02 0.00 0.00 175.26 174.18 1ure s ILE 108 N 1.73 3.23 -1.25 -3.70 2.07 -1.26 -3.10 121.20 118.92 1ure s ILE 108 Ca 0.35 -0.14 -0.19 0.00 -1.41 0.00 0.00 60.65 59.26 1ure s ILE 108 Cb -0.05 -3.54 0.00 0.00 0.13 0.00 0.00 42.46 39.01 1ure s ILE 108 CO -0.06 -0.51 1.88 -0.24 -1.91 0.00 0.00 174.94 174.11 1ure n SER 109 N 15.79 4.08 0.00 4.50 2.88 0.36 -4.76 113.62 136.47 1ure n SER 109 Ca 0.40 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1ure n SER 109 Cb 0.47 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ure n GLY 110 N 5.21 0.49 0.28 0.46 0.00 -1.26 -1.99 105.19 108.38 1ure n GLY 110 Ca 0.48 0.57 0.15 0.00 0.00 0.00 0.00 46.02 47.22 1ure n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 111 N 6.99 0.91 -4.06 1.61 3.02 -1.26 -3.38 115.26 119.08 1ure n ASN 111 Ca 0.00 -1.20 -0.29 0.00 -0.03 0.00 0.00 54.58 53.05 1ure n ASN 111 Cb 0.00 -0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ure s GLU 112 N -2.09 2.33 -0.09 3.52 8.01 -0.84 -4.13 118.70 125.42 1ure s GLU 112 Ca 0.39 -0.59 -0.16 0.00 0.01 0.00 0.00 54.97 54.62 1ure s GLU 112 Cb 0.21 -2.02 -0.05 0.00 -4.31 0.00 0.00 34.13 27.96 1ure s GLU 112 CO 0.37 -0.12 0.42 -1.17 0.01 0.00 0.00 175.26 174.78 1ure s LEU 113 N 1.14 4.34 -0.05 1.80 0.20 -0.54 0.14 118.68 125.71 1ure s LEU 113 Ca -0.03 0.81 -0.02 0.00 0.69 0.00 0.00 54.13 55.59 1ure s LEU 113 Cb -0.14 -2.61 0.03 0.00 -0.43 0.00 0.00 46.19 43.04 1ure s LEU 113 CO -0.05 0.12 0.03 -0.63 -0.29 0.00 0.00 176.35 175.54 1ure s ILE 114 N 0.04 0.11 0.21 6.68 1.01 -1.18 0.52 121.20 128.58 1ure s ILE 114 Ca 0.24 0.28 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 1ure s ILE 114 Cb -0.15 -0.31 -0.07 0.00 0.01 0.00 0.00 42.46 41.94 1ure s ILE 114 CO 0.10 0.21 0.52 -1.10 0.00 0.00 0.00 174.94 174.67 1ure s GLN 115 N 1.99 3.77 -0.15 2.79 -0.21 -1.03 0.67 119.66 127.49 1ure s GLN 115 Ca 0.04 0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.32 1ure s GLN 115 Cb -0.12 -2.68 0.11 0.00 1.00 0.00 0.00 33.01 31.31 1ure s GLN 115 CO -0.04 0.34 0.91 0.95 -2.12 0.00 0.00 175.29 175.34 1ure s THR 116 N -1.79 0.00 -0.87 -0.19 -4.23 -0.63 0.15 115.64 108.09 1ure s THR 116 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1ure s THR 116 Cb -0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1ure s THR 116 CO 0.22 0.00 0.00 -1.22 -0.54 0.00 0.00 174.62 173.08 1ure n TYR 117 N 0.99 0.00 -4.14 3.99 4.01 0.16 0.16 117.16 122.33 1ure n TYR 117 Ca -0.13 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.53 1ure n TYR 117 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.57 1ure n TYR 117 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1ure n THR 118 N 1.56 0.00 0.15 -0.72 5.66 -0.60 0.58 114.28 120.91 1ure n THR 118 Ca 0.00 -0.92 0.04 0.00 -3.05 0.00 0.00 64.05 60.13 1ure n THR 118 Cb 0.00 0.41 -0.06 0.00 -1.55 0.00 0.00 70.33 69.13 1ure n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ure n TYR 119 N -0.28 0.00 0.00 1.09 9.36 -1.26 0.22 117.16 126.29 1ure n TYR 119 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1ure n TYR 119 Cb 0.23 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 1ure n TYR 119 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ure n GLU 120 N -1.56 0.00 -1.67 2.98 0.00 -1.24 -3.79 120.64 115.37 1ure n GLU 120 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 1ure n GLU 120 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.64 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 121 N -0.54 1.09 2.57 8.31 0.00 -1.26 -4.96 105.19 110.41 1ure n GLY 121 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1ure n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ure s VAL 122 N 0.05 -0.03 1.23 1.61 1.01 -1.26 -5.10 120.40 117.92 1ure s VAL 122 Ca 0.04 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1ure s VAL 122 Cb 0.18 -0.87 0.30 0.00 0.00 0.00 0.00 36.38 35.98 1ure s VAL 122 CO -0.05 -0.57 1.08 -1.61 0.00 0.00 0.00 175.10 173.95 1ure s GLU 123 N 2.09 -1.44 0.18 2.72 8.01 -1.26 -4.33 118.70 124.68 1ure s GLU 123 Ca 0.06 -0.01 -0.23 0.00 0.01 0.00 0.00 54.97 54.80 1ure s GLU 123 Cb -0.16 -1.57 0.07 0.00 -4.31 0.00 0.00 34.13 28.17 1ure s GLU 123 CO -0.27 -3.86 1.02 0.00 0.01 0.00 0.00 175.26 172.16 1ure s ALA 124 N -2.90 -1.59 0.05 5.21 0.00 0.20 -4.40 121.76 118.33 1ure s ALA 124 Ca 0.70 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 1ure s ALA 124 Cb -0.11 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1ure s ALA 124 CO 0.56 -1.06 0.15 0.15 0.00 0.00 0.00 175.76 175.56 1ure s LYS 125 N -2.42 0.68 -0.41 0.00 3.01 -1.26 0.39 119.74 119.73 1ure s LYS 125 Ca 0.19 -0.78 0.06 0.00 -1.01 0.00 0.00 55.97 54.43 1ure s LYS 125 Cb -0.02 0.27 0.20 0.00 -1.01 0.00 0.00 37.83 37.27 1ure s LYS 125 CO 0.05 -0.19 0.45 0.54 0.51 0.00 0.00 175.35 176.71 1ure n ARG 126 N 0.53 0.41 -1.83 1.68 1.74 0.40 -1.74 116.66 117.86 1ure n ARG 126 Ca -0.18 -3.05 -0.42 0.00 -0.77 0.00 0.00 57.85 53.42 1ure n ARG 126 Cb 0.60 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 1ure n ARG 126 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ure s ILE 127 N -0.29 3.29 -0.19 0.55 -1.09 0.15 -2.45 121.20 121.17 1ure s ILE 127 Ca 0.33 0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1ure s ILE 127 Cb 0.09 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.68 1ure s ILE 127 CO -0.16 -0.09 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.08 1ure s PHE 128 N 5.49 3.02 -2.38 3.97 0.08 0.18 0.13 117.98 128.47 1ure s PHE 128 Ca 0.84 -0.47 0.23 0.00 0.12 0.00 0.00 56.93 57.65 1ure s PHE 128 Cb -0.34 -2.04 0.76 0.00 -0.57 0.00 0.00 43.02 40.83 1ure s PHE 128 CO 0.35 -0.21 1.57 1.63 -0.10 0.00 0.00 175.22 178.45 1ure n LYS 129 N 4.06 1.81 -0.50 0.44 4.76 -1.25 -1.46 118.16 126.02 1ure n LYS 129 Ca -0.17 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.05 1ure n LYS 129 Cb 0.52 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1ure n LYS 129 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1ure n LYS 130 N 0.44 -1.40 -0.79 1.97 4.81 -1.26 -4.75 118.16 117.19 1ure n LYS 130 Ca 0.17 1.06 0.00 0.00 -0.87 0.00 0.00 58.31 58.67 1ure n LYS 130 Cb 0.37 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96