#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 0.07 -1.51 0.00 3.01 -1.26 -4.90 117.46 112.87 1ure n PHE 2 Ca 0.00 0.02 -0.28 0.00 1.01 0.00 0.00 57.45 58.20 1ure n PHE 2 Cb 0.00 -1.01 -0.17 0.00 -0.01 0.00 0.00 39.48 38.29 1ure n PHE 2 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ure n ASP 3 N -3.49 -0.27 0.00 4.37 2.03 -1.26 -4.68 116.55 113.25 1ure n ASP 3 Ca -0.47 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1ure n ASP 3 Cb 0.97 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1ure n ASP 3 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ure n GLY 4 N 6.00 -1.40 3.92 0.27 0.00 -0.48 -4.98 105.19 108.51 1ure n GLY 4 Ca 0.63 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1ure n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 5 N -2.17 5.09 0.00 2.61 -4.23 -1.26 0.14 115.64 115.82 1ure s THR 5 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1ure s THR 5 Cb 0.00 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1ure s THR 5 CO 0.00 -0.29 0.00 0.79 -0.54 0.00 0.00 174.62 174.58 1ure n TRP 6 N -0.92 0.00 0.00 3.99 7.02 0.42 -0.86 117.44 127.09 1ure n TRP 6 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1ure n TRP 6 Cb 0.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 1ure n TRP 6 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1ure n LYS 7 N 0.00 0.00 0.00 -0.99 4.81 -1.26 -0.12 118.16 120.60 1ure n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ure n LYS 7 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ure n LYS 7 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1ure n VAL 8 N 0.00 0.00 0.00 3.15 3.14 -1.14 -4.42 118.33 119.06 1ure n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ure n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 0.00 0.00 -4.67 6.55 2.03 -1.26 -4.64 116.55 114.57 1ure n ASP 9 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1ure n ASP 9 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1ure n ASP 9 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ure s ARG 10 N -0.35 4.29 0.06 -0.67 3.52 -1.24 -4.93 118.95 119.62 1ure s ARG 10 Ca 0.00 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1ure s ARG 10 Cb 0.00 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1ure s ARG 10 CO 0.00 -0.38 0.02 0.09 -0.81 0.00 0.00 175.30 174.23 1ure n ASN 11 N 5.41 1.66 -3.15 -2.12 4.13 -1.26 0.11 115.26 120.04 1ure n ASN 11 Ca 0.05 -1.24 0.05 0.00 1.68 0.00 0.00 54.58 55.13 1ure n ASN 11 Cb 0.48 0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.73 1ure n ASN 11 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ure s GLU 12 N -2.24 0.27 0.00 3.52 2.12 0.45 -4.78 118.70 118.05 1ure s GLU 12 Ca 0.02 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1ure s GLU 12 Cb -0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1ure s GLU 12 CO 0.01 -0.30 0.00 -1.71 -0.54 0.00 0.00 175.26 172.73 1ure n ASN 13 N 5.46 0.00 0.05 -1.70 5.15 -1.26 0.39 115.26 123.35 1ure n ASN 13 Ca -0.06 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.89 1ure n ASN 13 Cb 0.53 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 39.99 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 0.00 0.44 0.00 1.20 3.20 -1.76 -2.32 116.97 117.73 1ure h TYR 14 Ca 0.00 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1ure h TYR 14 Cb 0.00 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1ure h TYR 14 CO 0.00 0.67 -0.03 1.05 -1.64 0.00 0.00 178.16 178.21 1ure h GLU 15 N 0.33 0.00 0.16 1.82 4.11 -1.91 -2.96 114.58 116.14 1ure h GLU 15 Ca 0.04 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.18 1ure h GLU 15 Cb 0.74 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.02 1ure h GLU 15 CO 0.06 0.03 -1.22 0.87 0.07 0.00 0.00 179.01 178.82 1ure h LYS 16 N 0.00 0.55 -0.09 1.06 1.57 -1.84 -3.26 116.57 114.56 1ure h LYS 16 Ca -0.00 -0.80 -0.10 0.00 -1.87 0.00 0.00 60.65 57.88 1ure h LYS 16 Cb 0.62 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1ure h LYS 16 CO 0.00 1.37 -0.39 0.35 -0.57 0.00 0.00 179.45 180.21 1ure h PHE 17 N 0.13 0.21 0.00 -1.35 3.57 -1.26 -1.91 116.94 116.33 1ure h PHE 17 Ca -0.20 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1ure h PHE 17 Cb 1.92 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.61 1ure h PHE 17 CO 0.13 0.55 -0.17 0.52 -2.23 0.00 0.00 178.31 177.11 1ure h MET 18 N 0.15 0.00 0.06 1.11 2.86 -1.62 -1.12 114.93 116.38 1ure h MET 18 Ca 0.02 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.42 1ure h MET 18 Cb 0.76 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1ure h MET 18 CO 0.06 0.17 -1.10 1.49 1.06 0.00 0.00 176.91 178.59 1ure h GLU 19 N 0.00 0.17 0.00 1.72 4.81 -1.40 -1.34 114.58 118.54 1ure h GLU 19 Ca -0.00 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 1ure h GLU 19 Cb 0.59 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1ure h GLU 19 CO 0.02 1.10 -0.38 -0.22 -0.73 0.00 0.00 179.01 178.80 1ure h LYS 20 N 0.06 0.00 0.00 1.92 1.63 -0.93 -2.95 116.57 116.30 1ure h LYS 20 Ca -0.08 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.57 1ure h LYS 20 Cb 1.83 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.44 1ure h LYS 20 CO 0.17 0.38 -0.72 0.52 -3.45 0.00 0.00 179.45 176.35 1ure h MET 21 N 0.00 0.00 0.00 1.90 2.86 -1.27 -3.47 114.93 114.95 1ure h MET 21 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ure h MET 21 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1ure h MET 21 CO 0.05 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.15 1ure n GLY 22 N 0.72 1.93 3.77 8.32 0.00 -1.11 -5.07 105.19 113.75 1ure n GLY 22 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.00 0.04 -0.61 -1.09 -0.51 -5.01 121.20 115.02 1ure s ILE 23 Ca 0.00 0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 59.06 1ure s ILE 23 Cb 0.00 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1ure s ILE 23 CO 0.00 0.17 0.94 0.21 -1.23 0.00 0.00 174.94 175.03 1ure s ASN 24 N -0.82 7.39 0.00 3.58 2.47 -1.26 -4.78 114.94 121.51 1ure s ASN 24 Ca 0.52 1.67 0.00 0.00 0.42 0.00 0.00 52.86 55.47 1ure s ASN 24 Cb -0.35 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 36.89 1ure s ASN 24 CO 0.45 -0.16 0.00 0.52 -3.72 0.00 0.00 177.10 174.19 1ure n VAL 25 N 3.41 0.00 -0.04 -5.21 0.31 -1.26 -0.42 118.33 115.13 1ure n VAL 25 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 1ure n VAL 25 Cb 0.50 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1ure n VAL 25 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ure h VAL 26 N 0.00 1.28 -0.13 2.52 2.07 -1.99 -3.19 116.25 116.80 1ure h VAL 26 Ca 0.00 -1.90 -0.08 0.00 0.82 0.00 0.00 66.70 65.54 1ure h VAL 26 Cb 0.00 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1ure h VAL 26 CO 0.00 0.61 -0.29 0.11 0.02 0.00 0.00 177.57 178.01 1ure h LYS 27 N 0.57 0.25 0.00 1.57 1.57 -1.11 0.56 116.57 119.99 1ure h LYS 27 Ca -0.03 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.47 1ure h LYS 27 Cb 1.34 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1ure h LYS 27 CO 0.15 0.53 -0.88 0.07 -0.57 0.00 0.00 179.45 178.75 1ure h ARG 28 N 0.22 0.00 -0.19 3.15 0.11 -1.65 -0.27 114.38 115.76 1ure h ARG 28 Ca 0.03 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.92 1ure h ARG 28 Cb 0.64 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.72 1ure h ARG 28 CO 0.05 0.88 -0.64 -0.22 0.10 0.00 0.00 179.97 180.14 1ure h LYS 29 N 0.00 0.77 0.00 0.08 3.11 -1.49 -2.35 116.57 116.69 1ure h LYS 29 Ca -0.01 -0.57 -0.12 0.00 -2.81 0.00 0.00 60.65 57.14 1ure h LYS 29 Cb 1.63 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.94 1ure h LYS 29 CO 0.11 1.19 -0.57 1.25 -2.81 0.00 0.00 179.45 178.63 1ure h LEU 30 N 0.49 0.00 -0.57 5.20 5.85 -0.91 -3.11 115.31 122.26 1ure h LEU 30 Ca -0.03 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 1ure h LEU 30 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1ure h LEU 30 CO 0.14 0.57 -0.65 1.23 -0.34 0.00 0.00 178.44 179.38 1ure h GLY 31 N 2.07 0.00 1.33 3.75 0.00 -0.90 -1.90 103.07 107.41 1ure h GLY 31 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1ure h GLY 31 CO 0.07 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 176.03 1ure h ALA 32 N 1.35 0.56 -0.45 3.60 0.00 -1.35 -3.13 119.26 119.83 1ure h ALA 32 Ca -0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.14 1ure h ALA 32 Cb 1.23 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1ure h ALA 32 CO 0.09 0.69 0.00 0.72 0.00 0.00 0.00 179.25 180.75 1ure n HIS 33 N -3.97 1.39 -0.31 0.00 -0.00 -1.22 -4.79 115.22 106.32 1ure n HIS 33 Ca -0.04 -1.68 0.21 0.00 -0.00 0.00 0.00 57.72 56.21 1ure n HIS 33 Cb 0.64 -0.56 0.49 0.00 -0.00 0.00 0.00 29.99 30.55 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1ure h ASP 34 N 1.03 0.48 -3.93 0.41 3.04 -1.29 -3.46 116.42 112.70 1ure h ASP 34 Ca 0.28 0.08 -0.14 0.00 -3.24 0.00 0.00 57.03 54.01 1ure h ASP 34 Cb 1.80 -0.00 0.09 0.00 -1.04 0.00 0.00 39.33 40.18 1ure h ASP 34 CO 0.50 0.12 -0.39 0.59 -2.04 0.00 0.00 179.24 178.02 1ure n ASN 35 N -4.63 -2.95 -4.54 4.15 5.03 -1.26 -1.41 115.26 109.65 1ure n ASN 35 Ca 0.24 -0.32 -0.43 0.00 0.87 0.00 0.00 54.58 54.95 1ure n ASN 35 Cb 0.81 -2.74 -0.04 0.00 -1.02 0.00 0.00 39.78 36.80 1ure n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ure s LEU 36 N -4.11 4.05 -0.15 3.41 2.96 -1.26 -3.84 118.68 119.74 1ure s LEU 36 Ca 0.09 -0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 1ure s LEU 36 Cb -0.01 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 1ure s LEU 36 CO 0.35 -1.16 0.45 -0.75 -1.32 0.00 0.00 176.35 173.92 1ure s LYS 37 N 3.88 4.27 -0.21 1.98 2.20 -1.23 -2.90 119.74 127.74 1ure s LYS 37 Ca 0.33 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 56.26 1ure s LYS 37 Cb -0.11 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1ure s LYS 37 CO 0.22 0.07 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.06 1ure s LEU 38 N 0.94 2.89 -0.56 5.43 2.96 0.82 -1.18 118.68 129.98 1ure s LEU 38 Ca 0.23 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1ure s LEU 38 Cb -0.15 -1.73 0.14 0.00 0.50 0.00 0.00 46.19 44.96 1ure s LEU 38 CO 0.09 0.01 0.34 -0.89 -1.32 0.00 0.00 176.35 174.58 1ure s THR 39 N 1.32 3.15 0.10 3.68 2.01 0.12 0.16 115.64 126.18 1ure s THR 39 Ca 0.04 -3.08 -0.31 0.00 0.31 0.00 0.00 61.69 58.65 1ure s THR 39 Cb -0.14 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 1ure s THR 39 CO -0.02 -0.83 1.34 -0.63 -0.69 0.00 0.00 174.62 173.79 1ure s ILE 40 N -0.11 3.48 -0.27 1.82 1.01 0.37 -0.99 121.20 126.51 1ure s ILE 40 Ca 0.17 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1ure s ILE 40 Cb -0.23 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.64 1ure s ILE 40 CO -0.02 0.09 0.01 -0.89 0.00 0.00 0.00 174.94 174.12 1ure s THR 41 N 1.06 1.44 -0.48 2.92 2.01 -1.21 -1.38 115.64 120.00 1ure s THR 41 Ca 0.63 -1.42 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 1ure s THR 41 Cb -0.35 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1ure s THR 41 CO 0.30 -0.33 0.96 -1.10 -0.69 0.00 0.00 174.62 173.76 1ure s GLN 42 N 1.39 3.51 -0.39 4.92 -1.52 -1.26 -2.71 119.66 123.59 1ure s GLN 42 Ca 0.01 0.12 0.03 0.00 -1.95 0.00 0.00 55.36 53.57 1ure s GLN 42 Cb -0.18 -3.95 0.54 0.00 -0.22 0.00 0.00 33.01 29.19 1ure s GLN 42 CO -0.11 -1.30 1.80 -1.91 -0.25 0.00 0.00 175.29 173.51 1ure n GLU 43 N 7.33 2.08 0.00 2.91 2.13 -0.59 -4.75 120.64 129.75 1ure n GLU 43 Ca 0.06 -2.53 0.00 0.00 0.66 0.00 0.00 57.16 55.35 1ure n GLU 43 Cb 0.48 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ure n GLY 44 N -0.84 1.34 0.44 8.31 0.00 -1.26 -4.39 105.19 108.80 1ure n GLY 44 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1ure n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ure n ASN 45 N 0.00 -0.06 -4.64 1.61 0.23 -1.26 -5.10 115.26 106.04 1ure n ASN 45 Ca 0.00 0.04 -0.43 0.00 -0.53 0.00 0.00 54.58 53.66 1ure n ASN 45 Cb 0.00 0.18 -0.03 0.00 -2.08 0.00 0.00 39.78 37.85 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1ure s LYS 46 N -2.00 3.80 -0.71 -3.83 2.20 -1.26 -3.74 119.74 114.19 1ure s LYS 46 Ca 0.00 2.05 -0.14 0.00 -0.36 0.00 0.00 55.97 57.52 1ure s LYS 46 Cb 0.00 -4.13 0.18 0.00 -1.51 0.00 0.00 37.83 32.37 1ure s LYS 46 CO 0.00 -1.32 0.65 -0.06 -0.36 0.00 0.00 175.35 174.26 1ure s PHE 47 N 5.51 3.56 -1.00 4.03 0.40 -1.25 -1.55 117.98 127.68 1ure s PHE 47 Ca 0.82 -1.78 -0.17 0.00 -0.60 0.00 0.00 56.93 55.20 1ure s PHE 47 Cb -0.32 -3.78 0.14 0.00 0.51 0.00 0.00 43.02 39.57 1ure s PHE 47 CO 0.34 -1.00 1.20 -0.08 0.70 0.00 0.00 175.22 176.38 1ure s THR 48 N 0.69 4.82 -0.41 0.64 -1.32 -1.10 -2.09 115.64 116.88 1ure s THR 48 Ca 0.12 -1.87 -0.28 0.00 -1.21 0.00 0.00 61.69 58.45 1ure s THR 48 Cb -0.18 -4.81 -0.01 0.00 -1.51 0.00 0.00 72.50 65.99 1ure s THR 48 CO -0.04 -1.53 1.71 0.54 -2.21 0.00 0.00 174.62 173.09 1ure s VAL 49 N 2.35 3.56 -0.18 5.08 0.11 0.88 -3.32 120.40 128.87 1ure s VAL 49 Ca 0.35 0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 59.64 1ure s VAL 49 Cb -0.04 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 1ure s VAL 49 CO -0.07 -0.60 1.64 -0.75 -3.33 0.00 0.00 175.10 171.98 1ure s LYS 50 N 5.75 3.87 -0.56 1.54 2.20 -0.16 0.13 119.74 132.50 1ure s LYS 50 Ca 0.73 1.79 -0.08 0.00 -0.36 0.00 0.00 55.97 58.04 1ure s LYS 50 Cb -0.18 -4.03 0.14 0.00 -1.51 0.00 0.00 37.83 32.25 1ure s LYS 50 CO 0.31 -1.21 0.43 -2.00 -0.36 0.00 0.00 175.35 172.51 1ure s GLU 51 N 4.57 2.65 -0.80 4.03 2.12 -0.90 0.13 118.70 130.49 1ure s GLU 51 Ca 0.72 -2.05 -0.03 0.00 0.36 0.00 0.00 54.97 53.98 1ure s GLU 51 Cb -0.27 -3.95 0.24 0.00 0.26 0.00 0.00 34.13 30.42 1ure s GLU 51 CO 0.29 -1.20 2.25 0.45 -0.54 0.00 0.00 175.26 176.50 1ure n SER 52 N 4.43 7.25 -4.85 -1.70 2.88 -0.32 -2.46 113.62 118.84 1ure n SER 52 Ca -0.01 -3.58 -0.31 0.00 -1.33 0.00 0.00 58.87 53.65 1ure n SER 52 Cb 0.41 -1.16 0.03 0.00 -0.75 0.00 0.00 64.21 62.74 1ure n SER 52 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ure s SER 53 N -0.58 5.84 0.56 -3.46 0.15 -0.93 -3.54 113.70 111.73 1ure s SER 53 Ca 0.52 1.49 0.28 0.00 0.70 0.00 0.00 55.95 58.94 1ure s SER 53 Cb 0.36 -2.45 1.47 0.00 -1.71 0.00 0.00 66.02 63.69 1ure s SER 53 CO -0.29 -1.13 1.96 -1.13 1.20 0.00 0.00 173.24 173.85 1ure h ASN 54 N -0.50 0.00 0.80 5.45 -0.00 -1.34 -1.62 115.58 118.36 1ure h ASN 54 Ca -0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 55.82 1ure h ASN 54 Cb 1.20 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.53 1ure h ASN 54 CO 0.60 0.00 -0.38 -0.26 -0.00 0.00 0.00 177.43 177.39 1ure h PHE 55 N 0.00 -0.99 -2.83 0.67 -1.00 -1.90 -3.46 116.94 107.42 1ure h PHE 55 Ca 0.25 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 1ure h PHE 55 Cb 1.11 0.33 -0.15 0.00 3.61 0.00 0.00 35.95 40.85 1ure h PHE 55 CO 0.00 -0.60 0.06 1.03 -1.61 0.00 0.00 178.31 177.19 1ure s ARG 56 N -5.52 1.08 -1.06 1.51 0.52 -0.61 -5.06 118.95 109.82 1ure s ARG 56 Ca -0.17 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1ure s ARG 56 Cb 0.02 0.49 0.30 0.00 0.52 0.00 0.00 34.95 36.29 1ure s ARG 56 CO 0.55 -0.41 1.42 -1.71 0.02 0.00 0.00 175.30 175.17 1ure n ASN 57 N 0.24 6.22 -4.15 0.23 5.15 -1.25 -2.19 115.26 119.50 1ure n ASN 57 Ca -0.18 -3.39 -0.33 0.00 -0.60 0.00 0.00 54.58 50.09 1ure n ASN 57 Cb 0.61 -1.25 -0.16 0.00 -0.53 0.00 0.00 39.78 38.45 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1ure s ILE 58 N -2.66 2.06 0.20 -1.44 1.10 -1.03 -4.97 121.20 114.45 1ure s ILE 58 Ca 0.31 -0.96 -0.30 0.00 -0.51 0.00 0.00 60.65 59.19 1ure s ILE 58 Cb 0.04 -1.83 -0.08 0.00 0.15 0.00 0.00 42.46 40.73 1ure s ILE 58 CO 0.09 0.55 1.20 -1.81 -2.11 0.00 0.00 174.94 172.85 1ure s ASP 59 N 1.01 7.09 -0.43 4.50 1.01 -1.26 -2.12 116.67 126.46 1ure s ASP 59 Ca -0.02 2.26 -0.06 0.00 0.71 0.00 0.00 52.55 55.44 1ure s ASP 59 Cb -0.14 -2.61 0.11 0.00 1.01 0.00 0.00 42.92 41.28 1ure s ASP 59 CO -0.06 -0.36 0.26 0.54 0.21 0.00 0.00 175.17 175.75 1ure s VAL 60 N -0.19 3.75 -0.07 -1.27 0.11 0.12 -4.88 120.40 117.98 1ure s VAL 60 Ca 0.52 -1.84 -0.21 0.00 -2.93 0.00 0.00 61.98 57.52 1ure s VAL 60 Cb -0.33 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1ure s VAL 60 CO 0.38 -0.67 0.61 0.68 -3.33 0.00 0.00 175.10 172.77 1ure s VAL 61 N 1.27 5.05 -0.39 2.04 -7.23 -1.26 -0.08 120.40 119.80 1ure s VAL 61 Ca 0.06 1.26 0.05 0.00 -1.81 0.00 0.00 61.98 61.54 1ure s VAL 61 Cb -0.24 -3.95 0.16 0.00 0.56 0.00 0.00 36.38 32.91 1ure s VAL 61 CO -0.02 0.31 0.46 0.72 -0.31 0.00 0.00 175.10 176.27 1ure s PHE 62 N 0.51 -0.69 0.25 2.82 -0.71 -0.89 -4.95 117.98 114.32 1ure s PHE 62 Ca 0.33 -0.60 -0.31 0.00 -1.04 0.00 0.00 56.93 55.30 1ure s PHE 62 Cb -0.17 -0.19 -0.13 0.00 -1.21 0.00 0.00 43.02 41.32 1ure s PHE 62 CO 0.16 -1.04 1.46 -1.91 -1.34 0.00 0.00 175.22 172.55 1ure n GLU 63 N 4.13 2.22 -1.49 1.99 2.13 -1.26 -3.93 120.64 124.42 1ure n GLU 63 Ca 0.13 0.79 -0.42 0.00 0.66 0.00 0.00 57.16 58.31 1ure n GLU 63 Cb 0.49 -2.48 -0.09 0.00 0.27 0.00 0.00 31.44 29.63 1ure n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ure n LEU 64 N 2.22 1.46 -0.06 4.31 4.32 -1.25 -0.85 117.00 127.16 1ure n LEU 64 Ca 0.11 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1ure n LEU 64 Cb 0.33 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 40.89 1ure n LEU 64 CO 0.63 -1.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.38 1ure n GLY 65 N 6.38 1.12 3.14 -0.72 0.00 -0.73 -4.99 105.19 109.39 1ure n GLY 65 Ca 0.49 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ure n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ure s VAL 66 N -2.11 3.57 0.25 1.61 0.11 -0.03 -5.02 120.40 118.78 1ure s VAL 66 Ca 0.00 -2.07 -0.30 0.00 -2.93 0.00 0.00 61.98 56.68 1ure s VAL 66 Cb 0.00 -3.41 -0.14 0.00 -1.53 0.00 0.00 36.38 31.30 1ure s VAL 66 CO 0.00 -0.73 1.19 0.47 -3.33 0.00 0.00 175.10 172.70 1ure n ASP 67 N 4.58 1.87 -3.62 3.54 9.92 -1.26 -4.69 116.55 126.89 1ure n ASP 67 Ca -0.03 1.16 -0.14 0.00 -0.53 0.00 0.00 54.79 55.26 1ure n ASP 67 Cb 0.41 -1.33 -0.06 0.00 -0.64 0.00 0.00 41.12 39.50 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1ure s PHE 68 N -0.53 1.07 0.05 1.24 -0.71 -1.02 -4.99 117.98 113.09 1ure s PHE 68 Ca 0.65 -1.27 0.05 0.00 -1.04 0.00 0.00 56.93 55.33 1ure s PHE 68 Cb -0.72 -0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 40.83 1ure s PHE 68 CO 0.55 -0.95 -0.15 0.00 -1.34 0.00 0.00 175.22 173.33 1ure s ALA 69 N -3.55 1.25 0.00 1.99 0.00 -1.26 -2.31 121.76 117.88 1ure s ALA 69 Ca 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1ure s ALA 69 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1ure s ALA 69 CO 0.18 0.23 0.00 0.98 0.00 0.00 0.00 175.76 177.15 1ure n TYR 70 N 1.72 0.00 -1.18 0.00 9.36 -0.10 -4.99 117.16 121.98 1ure n TYR 70 Ca -0.19 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.15 1ure n TYR 70 Cb 0.54 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.19 1ure n TYR 70 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1ure n SER 71 N -1.99 -6.38 0.00 2.98 7.64 -1.19 -4.88 113.62 109.79 1ure n SER 71 Ca 0.00 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1ure n SER 71 Cb 0.25 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 1ure n SER 71 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ure n LEU 72 N -3.66 0.00 -3.29 -3.43 7.99 -1.26 -4.73 117.00 108.62 1ure n LEU 72 Ca -0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.70 1ure n LEU 72 Cb 0.53 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.85 1ure n LEU 72 CO 0.03 -0.03 -0.00 0.00 -1.51 0.00 0.00 177.39 175.87 1ure n ALA 73 N 1.35 -1.06 0.00 -1.18 0.00 -1.26 -2.10 120.51 116.26 1ure n ALA 73 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ure n ALA 73 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.01 1ure n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ure n ASP 74 N -2.45 0.00 0.00 0.00 5.75 -1.26 -5.00 116.55 113.59 1ure n ASP 74 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1ure n ASP 74 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ure n GLY 75 N -1.77 0.00 3.17 6.12 0.00 -0.89 -5.03 105.19 106.79 1ure n GLY 75 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1ure n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ure n THR 76 N -1.53 -9.55 -2.08 2.61 -1.04 -1.26 -4.30 114.28 97.12 1ure n THR 76 Ca 0.00 -0.68 -0.02 0.00 -2.04 0.00 0.00 64.05 61.31 1ure n THR 76 Cb 0.08 -6.63 0.00 0.00 -1.82 0.00 0.00 70.33 61.96 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ure n GLU 77 N -2.41 -0.82 -3.68 -2.82 1.02 -1.26 -4.49 120.64 106.18 1ure n GLU 77 Ca -0.04 1.07 -0.37 0.00 -0.02 0.00 0.00 57.16 57.81 1ure n GLU 77 Cb 0.55 -3.23 -0.07 0.00 -0.02 0.00 0.00 31.44 28.68 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ure s LEU 78 N -2.08 4.33 -0.27 -4.62 2.96 -1.26 -0.51 118.68 117.23 1ure s LEU 78 Ca 0.07 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 1ure s LEU 78 Cb -0.02 -2.26 0.10 0.00 0.50 0.00 0.00 46.19 44.51 1ure s LEU 78 CO 0.31 0.26 0.61 -0.89 -1.32 0.00 0.00 176.35 175.32 1ure s THR 79 N -0.32 -0.49 0.00 3.68 2.01 0.14 -0.92 115.64 119.74 1ure s THR 79 Ca 0.16 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1ure s THR 79 Cb -0.13 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1ure s THR 79 CO 0.04 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1ure n GLY 80 N 4.90 2.16 3.41 4.40 0.00 -0.98 0.13 105.19 119.22 1ure n GLY 80 Ca -0.16 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 1ure n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ure n THR 81 N 0.00 0.00 -4.34 2.61 -2.24 -1.03 -2.43 114.28 106.85 1ure n THR 81 Ca 0.00 -2.11 -0.19 0.00 -2.27 0.00 0.00 64.05 59.49 1ure n THR 81 Cb 0.00 1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 1ure n THR 81 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ure s TRP 82 N -3.06 0.94 0.08 4.78 0.52 -1.26 -0.29 118.94 120.67 1ure s TRP 82 Ca 0.34 -0.26 -0.05 0.00 0.02 0.00 0.00 56.10 56.16 1ure s TRP 82 Cb 0.00 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1ure s TRP 82 CO 0.25 -0.01 0.10 -0.08 0.02 0.00 0.00 176.95 177.23 1ure s THR 83 N -0.54 0.16 -0.18 2.01 -1.32 0.12 -1.77 115.64 114.11 1ure s THR 83 Ca 0.01 -1.50 -0.15 0.00 -1.21 0.00 0.00 61.69 58.84 1ure s THR 83 Cb -0.06 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1ure s THR 83 CO 0.00 -0.73 0.36 -0.32 -2.21 0.00 0.00 174.62 171.72 1ure s MET 84 N -3.91 4.21 -0.43 7.08 1.75 -1.26 0.43 119.30 127.16 1ure s MET 84 Ca 0.09 0.17 0.05 0.00 -1.25 0.00 0.00 55.69 54.74 1ure s MET 84 Cb 0.06 -3.50 0.53 0.00 2.84 0.00 0.00 34.83 34.77 1ure s MET 84 CO -0.08 0.06 1.69 0.39 -0.65 0.00 0.00 175.02 176.42 1ure n GLU 85 N 4.15 2.39 0.00 4.11 1.02 0.51 -4.96 120.64 127.86 1ure n GLU 85 Ca -0.09 -3.30 0.00 0.00 -0.02 0.00 0.00 57.16 53.74 1ure n GLU 85 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ure n GLY 86 N -1.03 0.98 0.18 0.62 0.00 -1.26 -4.24 105.19 100.44 1ure n GLY 86 Ca 0.49 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1ure n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 87 N 3.01 0.82 -4.21 1.61 4.13 -1.26 -4.91 115.26 114.44 1ure n ASN 87 Ca 0.00 -0.70 -0.18 0.00 1.68 0.00 0.00 54.58 55.38 1ure n ASN 87 Cb 0.00 0.10 -0.12 0.00 -1.54 0.00 0.00 39.78 38.23 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ure s LYS 88 N -2.58 0.93 -0.14 3.52 1.02 -1.26 -4.81 119.74 116.43 1ure s LYS 88 Ca 0.23 -1.11 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 1ure s LYS 88 Cb 0.19 -0.87 -0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1ure s LYS 88 CO 0.54 0.18 0.02 -0.51 -0.92 0.00 0.00 175.35 174.65 1ure s LEU 89 N -2.13 3.60 0.18 3.17 1.43 -1.19 -0.36 118.68 123.37 1ure s LEU 89 Ca 0.04 0.07 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1ure s LEU 89 Cb -0.07 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1ure s LEU 89 CO 0.03 0.26 -0.22 -0.69 0.23 0.00 0.00 176.35 175.95 1ure s VAL 90 N -0.17 2.16 -0.17 -1.59 1.01 0.17 0.15 120.40 121.95 1ure s VAL 90 Ca 0.05 -1.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.05 1ure s VAL 90 Cb -0.12 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1ure s VAL 90 CO 0.02 -0.16 0.03 -0.83 0.00 0.00 0.00 175.10 174.16 1ure s GLY 91 N -2.60 0.65 0.23 4.51 0.00 0.63 0.13 107.32 110.88 1ure s GLY 91 Ca 0.18 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.39 1ure s GLY 91 CO 0.08 1.39 0.09 0.54 0.00 0.00 0.00 173.10 175.20 1ure s LYS 92 N 1.89 2.62 -0.20 2.90 1.02 0.61 0.11 119.74 128.68 1ure s LYS 92 Ca 0.00 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 1ure s LYS 92 Cb -0.16 -2.40 0.10 0.00 -0.52 0.00 0.00 37.83 34.85 1ure s LYS 92 CO -0.08 0.41 0.30 -0.06 -0.92 0.00 0.00 175.35 175.00 1ure s PHE 93 N -2.09 -0.55 -0.02 3.18 0.08 0.24 -2.48 117.98 116.35 1ure s PHE 93 Ca 0.31 0.71 -0.15 0.00 0.12 0.00 0.00 56.93 57.93 1ure s PHE 93 Cb -0.08 -0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.22 1ure s PHE 93 CO 0.22 -0.58 0.41 0.15 -0.10 0.00 0.00 175.22 175.31 1ure s LYS 94 N 2.45 3.95 -0.03 0.44 1.02 0.34 -0.51 119.74 127.41 1ure s LYS 94 Ca 0.07 0.40 -0.17 0.00 0.02 0.00 0.00 55.97 56.29 1ure s LYS 94 Cb -0.15 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 1ure s LYS 94 CO -0.13 0.64 0.46 0.50 -0.92 0.00 0.00 175.35 175.90 1ure s ARG 95 N -0.90 4.11 0.15 1.68 3.52 -1.24 0.29 118.95 126.56 1ure s ARG 95 Ca 0.23 0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 56.24 1ure s ARG 95 Cb -0.16 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1ure s ARG 95 CO 0.13 0.50 1.42 0.28 -0.81 0.00 0.00 175.30 176.82 1ure h VAL 96 N 4.02 1.30 -0.04 7.11 2.07 -1.03 -1.80 116.25 127.88 1ure h VAL 96 Ca -0.48 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1ure h VAL 96 Cb 1.20 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1ure h VAL 96 CO 0.67 0.59 0.00 0.47 0.02 0.00 0.00 177.57 179.31 1ure n ASP 97 N -3.96 0.53 0.00 0.57 9.92 -1.26 -4.46 116.55 117.89 1ure n ASP 97 Ca -0.05 -1.38 0.00 0.00 -0.53 0.00 0.00 54.79 52.83 1ure n ASP 97 Cb 0.66 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ure n ASN 98 N -0.49 0.00 0.00 -2.24 5.15 -1.22 -5.07 115.26 111.39 1ure n ASN 98 Ca 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1ure n ASN 98 Cb 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ure n GLY 99 N 0.26 0.70 0.00 8.20 0.00 -0.68 -5.04 105.19 108.63 1ure n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 1.92 -3.60 1.61 4.76 -1.26 -4.81 118.16 114.78 1ure n LYS 100 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1ure n LYS 100 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1ure n LYS 100 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ure s GLU 101 N 0.00 0.40 -0.04 1.97 -6.30 -1.26 -3.65 118.70 109.82 1ure s GLU 101 Ca 0.00 1.10 -0.17 0.00 -2.50 0.00 0.00 54.97 53.40 1ure s GLU 101 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 34.13 34.49 1ure s GLU 101 CO 0.00 -0.29 0.45 -1.17 0.02 0.00 0.00 175.26 174.27 1ure s LEU 102 N 2.70 4.40 0.22 2.70 0.20 0.33 -4.53 118.68 124.70 1ure s LEU 102 Ca -0.00 0.94 0.05 0.00 0.69 0.00 0.00 54.13 55.80 1ure s LEU 102 Cb -0.12 -2.67 -0.05 0.00 -0.43 0.00 0.00 46.19 42.92 1ure s LEU 102 CO -0.15 0.19 -0.05 -0.51 -0.29 0.00 0.00 176.35 175.54 1ure s ILE 103 N -0.39 1.29 -0.06 6.68 2.07 0.65 0.81 121.20 132.27 1ure s ILE 103 Ca 0.25 -2.08 -0.15 0.00 -1.41 0.00 0.00 60.65 57.26 1ure s ILE 103 Cb -0.16 -2.24 0.03 0.00 0.13 0.00 0.00 42.46 40.21 1ure s ILE 103 CO 0.13 -0.43 0.35 0.00 -1.91 0.00 0.00 174.94 173.08 1ure s ALA 104 N -3.25 -0.88 -0.06 1.50 0.00 0.30 0.14 121.76 119.51 1ure s ALA 104 Ca 0.26 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 1ure s ALA 104 Cb 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1ure s ALA 104 CO 0.08 -0.24 0.01 0.54 0.00 0.00 0.00 175.76 176.15 1ure s VAL 105 N -0.83 0.27 -1.08 0.00 0.11 0.49 -0.27 120.40 119.09 1ure s VAL 105 Ca -0.09 0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.92 1ure s VAL 105 Cb -0.04 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1ure s VAL 105 CO 0.03 0.24 1.67 -0.13 -3.33 0.00 0.00 175.10 173.58 1ure s ARG 106 N 1.93 3.37 -1.30 1.54 0.52 0.39 -2.39 118.95 123.01 1ure s ARG 106 Ca 0.04 -1.17 -0.17 0.00 -0.52 0.00 0.00 55.73 53.91 1ure s ARG 106 Cb -0.12 -5.33 0.08 0.00 0.52 0.00 0.00 34.95 30.10 1ure s ARG 106 CO -0.04 -2.63 1.75 -1.91 0.02 0.00 0.00 175.30 172.49 1ure n GLU 107 N 8.71 3.20 -2.00 3.54 2.13 0.28 -3.16 120.64 133.34 1ure n GLU 107 Ca 0.39 -3.30 -0.36 0.00 0.66 0.00 0.00 57.16 54.56 1ure n GLU 107 Cb 0.49 -3.40 -0.03 0.00 0.27 0.00 0.00 31.44 28.77 1ure n GLU 107 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ure s ILE 108 N 3.63 3.34 -0.52 6.31 -1.09 -1.26 -2.85 121.20 128.76 1ure s ILE 108 Ca 0.51 0.08 -0.16 0.00 -2.23 0.00 0.00 60.65 58.86 1ure s ILE 108 Cb 0.04 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 37.16 1ure s ILE 108 CO 0.05 -0.84 0.47 -0.44 -1.23 0.00 0.00 174.94 172.94 1ure s SER 109 N 8.41 6.17 0.00 3.58 0.01 0.15 -4.85 113.70 127.17 1ure s SER 109 Ca 0.70 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1ure s SER 109 Cb -0.12 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1ure s SER 109 CO 0.17 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1ure n GLY 110 N 5.23 0.75 0.00 3.44 0.00 -1.26 -1.43 105.19 111.92 1ure n GLY 110 Ca -0.13 0.52 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 3.60 1.66 -4.76 1.61 3.02 -1.26 -4.97 115.26 114.16 1ure n ASN 111 Ca 0.00 -0.36 -0.37 0.00 -0.03 0.00 0.00 54.58 53.82 1ure n ASN 111 Cb 0.00 1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.15 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 -1.56 4.17 -0.07 3.52 8.01 -0.51 -4.24 118.70 128.01 1ure s GLU 112 Ca 0.00 0.33 -0.04 0.00 0.01 0.00 0.00 54.97 55.28 1ure s GLU 112 Cb 0.02 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.44 1ure s GLU 112 CO 0.10 0.36 0.09 -1.17 0.01 0.00 0.00 175.26 174.65 1ure s LEU 113 N 0.01 4.03 -0.02 1.80 0.20 0.99 0.32 118.68 126.02 1ure s LEU 113 Ca 0.22 0.29 0.04 0.00 0.69 0.00 0.00 54.13 55.37 1ure s LEU 113 Cb -0.15 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.52 1ure s LEU 113 CO 0.09 0.36 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.75 1ure s ILE 114 N -1.05 1.03 -0.31 6.68 1.09 -1.13 0.16 121.20 127.67 1ure s ILE 114 Ca 0.17 -0.54 0.03 0.00 -1.10 0.00 0.00 60.65 59.21 1ure s ILE 114 Cb -0.12 -0.87 0.08 0.00 -1.06 0.00 0.00 42.46 40.49 1ure s ILE 114 CO 0.07 0.29 -0.01 -1.10 -0.10 0.00 0.00 174.94 174.09 1ure s GLN 115 N -0.21 1.90 0.05 2.79 -0.21 -0.03 0.10 119.66 124.05 1ure s GLN 115 Ca 0.03 -1.61 -0.02 0.00 0.02 0.00 0.00 55.36 53.78 1ure s GLN 115 Cb -0.06 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 1ure s GLN 115 CO -0.00 -0.77 -0.01 -0.08 -2.12 0.00 0.00 175.29 172.31 1ure s THR 116 N 1.02 0.19 0.00 -0.19 -1.32 -1.00 0.14 115.64 114.47 1ure s THR 116 Ca 0.01 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1ure s THR 116 Cb -0.20 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 1ure s THR 116 CO -0.06 -0.85 0.00 -1.22 -2.21 0.00 0.00 174.62 170.28 1ure n TYR 117 N 0.44 0.00 -1.50 9.09 4.01 -1.19 0.18 117.16 128.20 1ure n TYR 117 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1ure n TYR 117 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.00 0.00 -0.01 -0.72 5.66 0.12 0.16 114.28 119.49 1ure n THR 118 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1ure n THR 118 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 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 0.00 0.00 0.00 1.09 9.36 -1.26 0.24 117.16 126.59 1ure n TYR 119 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ure n TYR 119 Cb 0.00 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 38.53 1ure n TYR 119 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ure n GLU 120 N -3.57 0.00 -0.98 2.98 -0.58 -1.26 -2.87 120.64 114.35 1ure n GLU 120 Ca -0.08 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.67 1ure n GLU 120 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ure n GLY 121 N 4.33 0.76 2.92 0.62 0.00 -1.26 -5.01 105.19 107.54 1ure n GLY 121 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 1.97 1.34 1.61 1.01 -1.26 -5.11 120.40 119.95 1ure s VAL 122 Ca 0.15 -2.34 -0.21 0.00 0.00 0.00 0.00 61.98 59.58 1ure s VAL 122 Cb 0.17 -2.43 0.33 0.00 0.00 0.00 0.00 36.38 34.44 1ure s VAL 122 CO -0.07 -0.68 0.74 -0.62 0.00 0.00 0.00 175.10 174.47 1ure n GLU 123 N 4.11 -4.15 -3.04 2.72 1.02 -1.26 -4.45 120.64 115.59 1ure n GLU 123 Ca 0.03 -1.23 0.03 0.00 -0.02 0.00 0.00 57.16 55.97 1ure n GLU 123 Cb 0.40 -1.79 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ure s ALA 124 N -2.10 -3.51 0.41 0.62 0.00 0.41 -4.04 121.76 113.56 1ure s ALA 124 Ca 0.57 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 1ure s ALA 124 Cb -0.10 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.12 1ure s ALA 124 CO 0.48 -2.21 0.80 0.15 0.00 0.00 0.00 175.76 174.99 1ure s LYS 125 N 2.36 3.86 -0.44 0.00 3.01 0.16 -3.15 119.74 125.55 1ure s LYS 125 Ca 0.18 0.60 0.05 0.00 -1.01 0.00 0.00 55.97 55.79 1ure s LYS 125 Cb -0.02 -2.35 0.19 0.00 -1.01 0.00 0.00 37.83 34.64 1ure s LYS 125 CO -0.17 -0.04 0.40 0.54 0.51 0.00 0.00 175.35 176.59 1ure n ARG 126 N -1.16 0.48 -1.92 1.68 1.74 0.36 -0.41 116.66 117.43 1ure n ARG 126 Ca 0.03 -3.33 -0.24 0.00 -0.77 0.00 0.00 57.85 53.55 1ure n ARG 126 Cb 0.54 -1.65 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.37 3.37 0.24 0.55 -1.09 0.30 -0.85 121.20 123.35 1ure s ILE 127 Ca 0.33 -0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 57.98 1ure s ILE 127 Cb 0.06 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.63 1ure s ILE 127 CO -0.18 -0.70 0.77 0.12 -1.23 0.00 0.00 174.94 173.73 1ure s PHE 128 N 12.51 3.66 -1.92 3.97 5.36 0.43 -3.71 117.98 138.29 1ure s PHE 128 Ca 0.73 1.48 0.17 0.00 -0.96 0.00 0.00 56.93 58.35 1ure s PHE 128 Cb -0.04 -2.69 0.51 0.00 -0.34 0.00 0.00 43.02 40.47 1ure s PHE 128 CO 0.11 0.31 1.42 1.63 -1.46 0.00 0.00 175.22 177.24 1ure n LYS 129 N 0.71 2.41 -2.22 10.12 4.76 -1.26 -0.01 118.16 132.67 1ure n LYS 129 Ca -0.01 -2.08 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 1ure n LYS 129 Cb 0.51 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 1.14 -4.98 0.00 1.97 4.81 -1.26 -4.86 118.16 114.98 1ure n LYS 130 Ca 0.19 3.62 0.00 0.00 -0.87 0.00 0.00 58.31 61.26 1ure n LYS 130 Cb 0.51 -4.41 0.00 0.00 0.02 0.00 0.00 35.03 31.14 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66