#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 3.26 -3.45 0.00 3.01 -1.26 -4.97 117.46 114.05 1ure n PHE 2 Ca 0.00 -4.09 -0.22 0.00 1.01 0.00 0.00 57.45 54.14 1ure n PHE 2 Cb 0.00 -0.54 -0.12 0.00 -0.01 0.00 0.00 39.48 38.82 1ure n PHE 2 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ure s ASP 3 N -2.39 2.41 0.00 4.37 -1.08 -1.26 -4.67 116.67 114.06 1ure s ASP 3 Ca 0.40 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 1ure s ASP 3 Cb 0.16 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 1ure s ASP 3 CO -0.02 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 175.89 1ure n GLY 4 N 5.08 -0.53 3.18 2.66 0.00 0.12 -4.99 105.19 110.71 1ure n GLY 4 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1ure n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ure s THR 5 N -0.01 0.86 -0.00 2.61 -1.32 -1.26 0.40 115.64 116.92 1ure s THR 5 Ca 0.00 -1.82 -0.03 0.00 -1.21 0.00 0.00 61.69 58.63 1ure s THR 5 Cb 0.00 -1.55 -0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1ure s THR 5 CO 0.00 -0.72 0.06 0.26 -2.21 0.00 0.00 174.62 172.01 1ure s TRP 6 N -3.06 0.08 -0.33 9.09 0.52 0.23 -0.04 118.94 125.43 1ure s TRP 6 Ca 0.09 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.04 1ure s TRP 6 Cb 0.01 -0.07 0.13 0.00 -1.15 0.00 0.00 33.47 32.39 1ure s TRP 6 CO -0.02 -0.17 0.19 0.21 0.02 0.00 0.00 176.95 177.18 1ure s LYS 7 N -0.93 0.44 -0.14 4.98 2.20 -1.26 0.16 119.74 125.19 1ure s LYS 7 Ca -0.10 -1.09 -0.41 0.00 -0.36 0.00 0.00 55.97 54.01 1ure s LYS 7 Cb -0.06 -1.26 -0.18 0.00 -1.51 0.00 0.00 37.83 34.82 1ure s LYS 7 CO 0.00 -1.15 1.39 1.55 -0.36 0.00 0.00 175.35 176.78 1ure n VAL 8 N 4.40 0.06 -0.02 4.02 3.14 -0.08 -3.65 118.33 126.20 1ure n VAL 8 Ca 0.07 -0.01 -0.03 0.00 -2.96 0.00 0.00 64.34 61.41 1ure n VAL 8 Cb 0.38 -0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 32.56 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 3.09 3.79 -3.81 6.55 2.03 -0.50 -4.45 116.55 123.25 1ure n ASP 9 Ca 0.23 -0.01 -0.12 0.00 0.52 0.00 0.00 54.79 55.41 1ure n ASP 9 Cb 0.09 0.48 -0.09 0.00 -0.72 0.00 0.00 41.12 40.87 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 -2.11 0.55 0.29 -0.67 3.52 -0.98 -5.06 118.95 114.49 1ure s ARG 10 Ca -0.03 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1ure s ARG 10 Cb 0.02 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1ure s ARG 10 CO 0.18 -0.14 0.00 0.09 -0.81 0.00 0.00 175.30 174.62 1ure n ASN 11 N 1.48 2.75 0.00 -2.12 3.02 -1.26 -1.21 115.26 117.91 1ure n ASN 11 Ca -0.21 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 1ure n ASN 11 Cb 0.56 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1ure n ASN 11 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ure n GLU 12 N -0.71 0.00 -0.35 3.52 2.13 -0.25 -4.91 120.64 120.07 1ure n GLU 12 Ca -0.12 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.74 1ure n GLU 12 Cb 0.36 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.25 1ure n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ure n ASN 13 N -1.24 2.80 -0.23 4.31 5.15 -1.26 -4.45 115.26 120.34 1ure n ASN 13 Ca 0.00 -2.32 -0.05 0.00 -0.60 0.00 0.00 54.58 51.61 1ure n ASN 13 Cb 0.00 -0.50 0.10 0.00 -0.53 0.00 0.00 39.78 38.85 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 1.80 1.11 -0.45 1.20 5.03 -1.80 -2.65 116.97 121.20 1ure h TYR 14 Ca 0.00 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.17 1ure h TYR 14 Cb 1.00 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.93 1ure h TYR 14 CO 0.43 0.88 0.16 1.49 -1.32 0.00 0.00 178.16 179.80 1ure h GLU 15 N 1.03 0.65 0.03 1.82 4.81 -1.91 -2.65 114.58 118.37 1ure h GLU 15 Ca 0.22 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 1ure h GLU 15 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1ure h GLU 15 CO -0.01 0.56 -1.02 -0.22 -0.73 0.00 0.00 179.01 177.60 1ure h LYS 16 N 0.65 0.10 -0.01 1.92 3.64 -1.90 -3.31 116.57 117.65 1ure h LYS 16 Ca 0.15 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1ure h LYS 16 Cb 0.17 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1ure h LYS 16 CO -0.01 1.03 -0.53 0.35 -2.27 0.00 0.00 179.45 178.02 1ure h PHE 17 N 0.04 0.04 0.00 1.91 3.57 -1.11 -2.56 116.94 118.83 1ure h PHE 17 Ca -0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1ure h PHE 17 Cb 1.74 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 1ure h PHE 17 CO 0.02 0.55 -0.23 0.52 -2.23 0.00 0.00 178.31 176.95 1ure h MET 18 N 0.03 0.00 0.00 1.11 2.86 -1.63 -3.02 114.93 114.28 1ure h MET 18 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ure h MET 18 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1ure h MET 18 CO 0.07 0.23 -0.23 1.49 1.06 0.00 0.00 176.91 179.53 1ure h GLU 19 N 0.00 0.00 0.04 1.72 4.81 -1.54 -0.08 114.58 119.53 1ure h GLU 19 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1ure h GLU 19 Cb 1.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1ure h GLU 19 CO 0.03 0.23 -1.04 -0.22 -0.73 0.00 0.00 179.01 177.28 1ure h LYS 20 N 0.00 0.11 0.00 1.92 3.64 -1.57 -3.22 116.57 117.46 1ure h LYS 20 Ca -0.00 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1ure h LYS 20 Cb 0.60 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1ure h LYS 20 CO 0.03 1.04 -0.25 0.52 -2.27 0.00 0.00 179.45 178.52 1ure h MET 21 N 0.04 0.00 0.00 1.90 2.86 -1.56 -3.47 114.93 114.71 1ure h MET 21 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ure h MET 21 Cb 1.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.42 1ure h MET 21 CO 0.15 0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.78 1ure n GLY 22 N 0.66 1.90 3.76 8.32 0.00 -1.05 -4.94 105.19 113.84 1ure n GLY 22 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 3.86 0.14 -0.61 -1.09 -0.07 -5.03 121.20 116.41 1ure s ILE 23 Ca 0.00 1.73 0.03 0.00 -2.23 0.00 0.00 60.65 60.17 1ure s ILE 23 Cb 0.00 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1ure s ILE 23 CO 0.00 0.30 0.23 0.21 -1.23 0.00 0.00 174.94 174.45 1ure s ASN 24 N -1.25 6.10 0.16 3.58 2.47 -1.26 -4.63 114.94 120.11 1ure s ASN 24 Ca 0.47 0.09 0.08 0.00 0.42 0.00 0.00 52.86 53.92 1ure s ASN 24 Cb -0.26 -1.78 0.56 0.00 -1.45 0.00 0.00 41.25 38.33 1ure s ASN 24 CO 0.32 0.07 0.70 0.55 -3.72 0.00 0.00 177.10 175.03 1ure n VAL 25 N -0.39 -0.19 0.13 -5.21 3.14 -1.26 0.86 118.33 115.41 1ure n VAL 25 Ca -0.07 0.92 -0.24 0.00 -2.96 0.00 0.00 64.34 61.99 1ure n VAL 25 Cb 0.54 -1.47 -0.16 0.00 -1.06 0.00 0.00 33.84 31.70 1ure n VAL 25 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1ure h VAL 26 N 0.00 1.33 -0.29 1.55 2.07 -1.97 -3.12 116.25 115.81 1ure h VAL 26 Ca 0.36 -2.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.15 1ure h VAL 26 Cb 0.94 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.76 1ure h VAL 26 CO -0.35 0.79 -0.17 0.50 0.02 0.00 0.00 177.57 178.35 1ure h LYS 27 N 0.05 0.63 0.00 1.57 3.64 0.09 0.32 116.57 122.87 1ure h LYS 27 Ca -0.23 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1ure h LYS 27 Cb 2.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1ure h LYS 27 CO 0.25 0.87 -0.07 0.07 -2.27 0.00 0.00 179.45 178.31 1ure h ARG 28 N 0.38 0.00 0.02 1.90 0.11 -1.21 -1.06 114.38 114.51 1ure h ARG 28 Ca 0.06 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.89 1ure h ARG 28 Cb 0.70 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.80 1ure h ARG 28 CO 0.05 0.07 -1.03 -0.22 0.10 0.00 0.00 179.97 178.93 1ure h LYS 29 N 0.00 0.58 -0.13 0.08 3.64 -1.46 -1.13 116.57 118.16 1ure h LYS 29 Ca -0.00 -0.64 -0.17 0.00 -1.27 0.00 0.00 60.65 58.56 1ure h LYS 29 Cb 0.88 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1ure h LYS 29 CO 0.01 1.25 -0.65 -0.07 -2.27 0.00 0.00 179.45 177.72 1ure h LEU 30 N 0.32 0.56 -0.73 5.20 3.38 -0.14 -2.88 115.31 121.01 1ure h LEU 30 Ca -0.12 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1ure h LEU 30 Cb 1.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1ure h LEU 30 CO 0.19 1.06 -0.47 1.23 0.09 0.00 0.00 178.44 180.54 1ure h GLY 31 N 1.14 0.00 1.26 0.83 0.00 -1.16 -3.23 103.07 101.92 1ure h GLY 31 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1ure h GLY 31 CO 0.12 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.65 1ure h ALA 32 N 1.53 0.18 -0.53 3.60 0.00 -1.10 -3.25 119.26 119.70 1ure h ALA 32 Ca -0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 54.91 53.94 1ure h ALA 32 Cb 1.05 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.71 1ure h ALA 32 CO 0.06 0.71 0.35 0.72 0.00 0.00 0.00 179.25 181.09 1ure n HIS 33 N -3.84 1.63 -2.59 0.00 -0.00 -1.10 -4.88 115.22 104.43 1ure n HIS 33 Ca -0.10 -1.21 -0.41 0.00 -0.00 0.00 0.00 57.72 55.99 1ure n HIS 33 Cb 0.86 -0.62 -0.03 0.00 -0.00 0.00 0.00 29.99 30.20 1ure n HIS 33 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1ure s ASP 34 N -0.22 6.21 -1.35 0.41 -4.77 -1.23 -4.87 116.67 110.85 1ure s ASP 34 Ca 0.30 -0.65 -0.10 0.00 -3.30 0.00 0.00 52.55 48.80 1ure s ASP 34 Cb 0.25 -2.54 -0.07 0.00 -1.09 0.00 0.00 42.92 39.47 1ure s ASP 34 CO 0.06 -1.74 2.57 0.59 0.70 0.00 0.00 175.17 177.34 1ure n ASN 35 N 9.10 6.71 -4.69 2.11 3.02 -1.26 -4.74 115.26 125.50 1ure n ASN 35 Ca 0.06 -2.54 -0.42 0.00 -0.03 0.00 0.00 54.58 51.65 1ure n ASN 35 Cb 0.49 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.22 1ure n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ure s LEU 36 N 0.46 4.39 -0.39 3.41 2.96 -1.26 -4.72 118.68 123.54 1ure s LEU 36 Ca 0.58 2.66 -0.07 0.00 -0.22 0.00 0.00 54.13 57.08 1ure s LEU 36 Cb 0.15 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.35 1ure s LEU 36 CO -0.05 -0.97 0.19 -0.75 -1.32 0.00 0.00 176.35 173.46 1ure s LYS 37 N 2.79 2.53 -0.42 1.98 2.20 -1.23 -0.90 119.74 126.70 1ure s LYS 37 Ca 0.79 -1.40 -0.20 0.00 -0.36 0.00 0.00 55.97 54.79 1ure s LYS 37 Cb -0.44 -3.63 0.02 0.00 -1.51 0.00 0.00 37.83 32.27 1ure s LYS 37 CO 0.35 -0.86 0.63 -1.17 -0.36 0.00 0.00 175.35 173.94 1ure s LEU 38 N 1.38 4.45 -0.82 5.43 2.96 0.42 -2.30 118.68 130.20 1ure s LEU 38 Ca 0.02 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 1ure s LEU 38 Cb -0.22 -2.73 0.18 0.00 0.50 0.00 0.00 46.19 43.93 1ure s LEU 38 CO 0.01 -0.73 0.85 -0.89 -1.32 0.00 0.00 176.35 174.28 1ure s THR 39 N 2.77 5.29 -0.11 3.68 2.01 -0.16 0.75 115.64 129.87 1ure s THR 39 Ca 0.23 -2.06 -0.29 0.00 0.31 0.00 0.00 61.69 59.87 1ure s THR 39 Cb -0.14 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 1ure s THR 39 CO 0.18 -1.16 1.41 -0.63 -0.69 0.00 0.00 174.62 173.72 1ure s ILE 40 N 1.13 4.00 -0.27 1.82 1.01 0.16 -2.36 121.20 126.70 1ure s ILE 40 Ca 0.21 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 62.06 1ure s ILE 40 Cb -0.11 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1ure s ILE 40 CO -0.07 -0.10 -0.04 -0.89 0.00 0.00 0.00 174.94 173.84 1ure s THR 41 N 3.56 2.92 -0.73 2.92 2.01 -0.91 0.12 115.64 125.53 1ure s THR 41 Ca 0.62 -1.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 1ure s THR 41 Cb -0.27 -2.55 0.12 0.00 0.01 0.00 0.00 72.50 69.81 1ure s THR 41 CO 0.21 0.09 0.87 -1.10 -0.69 0.00 0.00 174.62 174.00 1ure s GLN 42 N 1.30 3.28 0.17 4.92 -1.52 -1.26 0.05 119.66 126.60 1ure s GLN 42 Ca -0.02 -1.51 0.25 0.00 -1.95 0.00 0.00 55.36 52.13 1ure s GLN 42 Cb -0.18 -4.46 0.91 0.00 -0.22 0.00 0.00 33.01 29.07 1ure s GLN 42 CO -0.03 -1.62 1.76 -1.91 -0.25 0.00 0.00 175.29 173.24 1ure n GLU 43 N 6.31 0.17 0.00 2.91 2.13 -0.99 -4.76 120.64 126.41 1ure n GLU 43 Ca 0.04 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1ure n GLU 43 Cb 0.45 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.42 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 0.86 1.03 2.04 8.31 0.00 -1.26 -4.89 105.19 111.28 1ure n GLY 44 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.71 -4.75 1.61 3.02 -1.26 -5.11 115.26 108.05 1ure n ASN 45 Ca 0.00 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.39 1ure n ASN 45 Cb 0.00 0.88 0.03 0.00 -0.61 0.00 0.00 39.78 40.08 1ure n ASN 45 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ure s LYS 46 N -2.00 3.08 -0.80 3.52 1.02 -1.26 -4.14 119.74 119.16 1ure s LYS 46 Ca 0.00 1.93 0.00 0.00 0.02 0.00 0.00 55.97 57.93 1ure s LYS 46 Cb 0.00 -2.06 0.20 0.00 -0.52 0.00 0.00 37.83 35.45 1ure s LYS 46 CO 0.00 -1.15 0.64 -0.06 -0.92 0.00 0.00 175.35 173.86 1ure s PHE 47 N -1.50 3.73 -0.82 3.18 0.08 -1.24 -2.35 117.98 119.06 1ure s PHE 47 Ca 0.75 -3.09 -0.25 0.00 0.12 0.00 0.00 56.93 54.45 1ure s PHE 47 Cb -0.33 -3.07 -0.11 0.00 -0.57 0.00 0.00 43.02 38.94 1ure s PHE 47 CO 0.37 -0.69 2.25 0.95 -0.10 0.00 0.00 175.22 178.00 1ure s THR 48 N -1.20 3.16 -1.10 0.64 -4.23 0.11 -3.49 115.64 109.53 1ure s THR 48 Ca 0.25 -0.13 -0.22 0.00 -1.18 0.00 0.00 61.69 60.42 1ure s THR 48 Cb -0.09 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.43 1ure s THR 48 CO -0.12 -0.34 1.63 0.54 -0.54 0.00 0.00 174.62 175.79 1ure s VAL 49 N 13.16 3.90 -0.16 2.29 0.11 -1.26 -2.15 120.40 136.29 1ure s VAL 49 Ca 0.85 -1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.54 1ure s VAL 49 Cb -0.11 -4.94 -0.05 0.00 -1.53 0.00 0.00 36.38 29.75 1ure s VAL 49 CO 0.05 -1.78 2.02 -0.75 -3.33 0.00 0.00 175.10 171.31 1ure s LYS 50 N 5.11 3.52 -0.64 1.54 2.20 -0.99 -1.74 119.74 128.73 1ure s LYS 50 Ca 0.53 2.07 -0.11 0.00 -0.36 0.00 0.00 55.97 58.09 1ure s LYS 50 Cb 0.00 -4.25 0.17 0.00 -1.51 0.00 0.00 37.83 32.24 1ure s LYS 50 CO -0.02 -1.65 0.55 -2.00 -0.36 0.00 0.00 175.35 171.87 1ure s GLU 51 N 5.52 3.02 -0.90 4.03 2.12 -1.12 -0.99 118.70 130.39 1ure s GLU 51 Ca 0.91 -2.14 -0.04 0.00 0.36 0.00 0.00 54.97 54.06 1ure s GLU 51 Cb -0.33 -4.16 0.16 0.00 0.26 0.00 0.00 34.13 30.05 1ure s GLU 51 CO 0.36 -1.26 2.40 0.45 -0.54 0.00 0.00 175.26 176.67 1ure n SER 52 N 4.40 7.31 -4.65 -1.70 2.88 -0.97 -2.66 113.62 118.22 1ure n SER 52 Ca 0.01 -3.34 -0.29 0.00 -1.33 0.00 0.00 58.87 53.92 1ure n SER 52 Cb 0.42 -1.25 0.18 0.00 -0.75 0.00 0.00 64.21 62.82 1ure n SER 52 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ure s SER 53 N -0.09 2.59 0.57 -3.46 1.04 -0.64 -3.47 113.70 110.23 1ure s SER 53 Ca 0.53 1.40 0.25 0.00 0.48 0.00 0.00 55.95 58.62 1ure s SER 53 Cb 0.29 -2.08 1.58 0.00 0.10 0.00 0.00 66.02 65.91 1ure s SER 53 CO -0.19 -3.18 2.15 -1.13 0.98 0.00 0.00 173.24 171.86 1ure h ASN 54 N -1.92 0.00 0.39 7.02 -1.24 -1.85 -2.70 115.58 115.28 1ure h ASN 54 Ca -0.54 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.45 1ure h ASN 54 Cb 1.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.37 1ure h ASN 54 CO 0.54 0.00 -0.19 -0.26 -1.29 0.00 0.00 177.43 176.24 1ure h PHE 55 N 0.00 -0.49 -3.24 0.67 0.04 -1.93 -3.49 116.94 108.51 1ure h PHE 55 Ca 0.06 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1ure h PHE 55 Cb 0.28 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 1ure h PHE 55 CO 0.00 -0.30 0.14 -0.98 -0.60 0.00 0.00 178.31 176.57 1ure s ARG 56 N -3.41 1.92 -0.89 1.51 1.70 -1.02 -5.08 118.95 113.68 1ure s ARG 56 Ca -0.08 -1.28 -0.08 0.00 -0.47 0.00 0.00 55.73 53.82 1ure s ARG 56 Cb 0.01 0.57 0.23 0.00 -0.57 0.00 0.00 34.95 35.19 1ure s ARG 56 CO 0.23 -0.87 0.82 -0.80 -1.08 0.00 0.00 175.30 173.60 1ure s ASN 57 N -3.03 6.50 -0.33 -2.89 -0.87 -1.25 -1.63 114.94 111.44 1ure s ASN 57 Ca 0.17 -3.21 -0.02 0.00 -1.57 0.00 0.00 52.86 48.22 1ure s ASN 57 Cb -0.04 -2.08 0.07 0.00 -0.02 0.00 0.00 41.25 39.17 1ure s ASN 57 CO 0.10 -0.37 0.06 -0.51 -2.57 0.00 0.00 177.10 173.82 1ure s ILE 58 N -0.63 3.08 0.30 0.60 2.07 -1.09 -4.99 121.20 120.55 1ure s ILE 58 Ca 0.24 -1.60 -0.30 0.00 -1.41 0.00 0.00 60.65 57.58 1ure s ILE 58 Cb -0.11 -2.89 -0.12 0.00 0.13 0.00 0.00 42.46 39.47 1ure s ILE 58 CO -0.08 -0.29 1.60 0.47 -1.91 0.00 0.00 174.94 174.72 1ure n ASP 59 N 4.61 3.90 -0.02 4.50 9.92 -1.26 -2.81 116.55 135.39 1ure n ASP 59 Ca -0.09 1.15 -0.02 0.00 -0.53 0.00 0.00 54.79 55.30 1ure n ASP 59 Cb 0.43 -1.60 -0.01 0.00 -0.64 0.00 0.00 41.12 39.30 1ure n ASP 59 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1ure n VAL 60 N 2.04 0.34 -0.88 2.53 0.31 -0.71 -4.90 118.33 117.06 1ure n VAL 60 Ca 0.08 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 1ure n VAL 60 Cb 0.37 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1ure n VAL 60 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ure n VAL 61 N -2.89 -3.38 -3.12 2.52 0.31 -1.23 -4.83 118.33 105.71 1ure n VAL 61 Ca -0.03 1.32 0.05 0.00 -0.01 0.00 0.00 64.34 65.67 1ure n VAL 61 Cb 0.10 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ure s PHE 62 N -2.80 -0.91 0.21 3.52 -0.71 -1.23 -4.89 117.98 111.17 1ure s PHE 62 Ca 0.00 0.48 -0.32 0.00 -1.04 0.00 0.00 56.93 56.05 1ure s PHE 62 Cb 0.00 0.16 -0.13 0.00 -1.21 0.00 0.00 43.02 41.84 1ure s PHE 62 CO 0.00 -0.54 1.63 0.39 -1.34 0.00 0.00 175.22 175.36 1ure n GLU 63 N 5.05 2.51 -1.69 1.99 1.02 -1.26 -3.88 120.64 124.38 1ure n GLU 63 Ca 0.08 0.90 -0.52 0.00 -0.02 0.00 0.00 57.16 57.60 1ure n GLU 63 Cb 0.57 -2.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.23 1ure n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ure n LEU 64 N 3.37 2.92 0.00 -4.62 4.32 -1.26 -1.03 117.00 120.70 1ure n LEU 64 Ca 0.15 1.03 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 1ure n LEU 64 Cb 0.33 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 40.85 1ure n LEU 64 CO 0.64 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1ure n GLY 65 N 4.17 0.25 0.00 -0.72 0.00 0.18 -4.95 105.19 104.12 1ure n GLY 65 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ure n GLY 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ure n VAL 66 N -2.34 0.00 0.00 1.61 0.31 -0.20 -4.95 118.33 112.76 1ure n VAL 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ure n VAL 66 Cb 0.24 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 1ure n VAL 66 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ure n ASP 67 N 0.00 0.00 -3.64 4.52 5.75 -1.26 -4.77 116.55 117.16 1ure n ASP 67 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.68 1ure n ASP 67 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1ure s PHE 68 N -1.96 -0.84 -0.64 2.11 -0.71 -1.24 -4.94 117.98 109.75 1ure s PHE 68 Ca 0.00 1.85 -0.23 0.00 -1.04 0.00 0.00 56.93 57.52 1ure s PHE 68 Cb 0.00 0.42 0.07 0.00 -1.21 0.00 0.00 43.02 42.30 1ure s PHE 68 CO 0.00 -0.41 0.95 0.00 -1.34 0.00 0.00 175.22 174.42 1ure s ALA 69 N 0.91 3.13 -0.66 1.99 0.00 -1.26 -3.76 121.76 122.11 1ure s ALA 69 Ca -0.04 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.06 1ure s ALA 69 Cb -0.05 -3.83 0.17 0.00 0.00 0.00 0.00 23.12 19.41 1ure s ALA 69 CO -0.09 -2.71 0.53 -0.47 0.00 0.00 0.00 175.76 173.02 1ure s TYR 70 N 4.00 3.53 0.34 0.00 5.04 0.36 -4.85 117.35 125.77 1ure s TYR 70 Ca 0.23 -2.26 -0.29 0.00 -2.44 0.00 0.00 57.07 52.31 1ure s TYR 70 Cb -0.17 -3.49 -0.11 0.00 0.35 0.00 0.00 41.96 38.55 1ure s TYR 70 CO 0.11 -0.93 1.43 -1.12 -1.34 0.00 0.00 175.55 173.70 1ure s SER 71 N 1.69 6.52 0.00 4.32 0.01 -1.26 -3.15 113.70 121.83 1ure s SER 71 Ca 0.14 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.29 1ure s SER 71 Cb -0.18 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1ure s SER 71 CO -0.05 -0.74 0.00 0.18 0.41 0.00 0.00 173.24 173.04 1ure n LEU 72 N 0.86 0.00 -0.07 2.44 4.32 -1.26 -4.80 117.00 118.49 1ure n LEU 72 Ca 0.02 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.07 1ure n LEU 72 Cb 0.40 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.14 1ure n LEU 72 CO 0.62 0.00 0.02 0.00 -1.22 0.00 0.00 177.39 176.81 1ure n ALA 73 N -3.00 3.71 0.00 -1.18 0.00 -1.26 -4.39 120.51 114.39 1ure n ALA 73 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1ure n ALA 73 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.09 0.00 0.09 0.00 2.03 -1.26 -4.89 116.55 111.43 1ure n ASP 74 Ca 0.03 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.46 1ure n ASP 74 Cb 0.24 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.81 1ure n ASP 74 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1ure h GLY 75 N 0.00 0.00 -1.28 0.27 0.00 -1.92 -3.51 103.07 96.64 1ure h GLY 75 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1ure h GLY 75 CO 0.00 0.00 -0.42 -1.30 0.00 0.00 0.00 176.54 174.82 1ure n THR 76 N -2.36 -0.21 0.00 4.70 -2.24 -1.26 -4.84 114.28 108.07 1ure n THR 76 Ca 0.03 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1ure n THR 76 Cb 0.47 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.00 0.00 -4.18 -0.78 1.02 -1.26 -4.02 120.64 108.42 1ure n GLU 77 Ca -0.03 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 1ure n GLU 77 Cb 0.25 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.52 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 0.00 1.67 -0.11 -4.62 2.96 -1.19 -3.68 118.68 113.71 1ure s LEU 78 Ca 0.00 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1ure s LEU 78 Cb 0.00 -0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.37 1ure s LEU 78 CO 0.00 0.01 0.22 -0.89 -1.32 0.00 0.00 176.35 174.37 1ure s THR 79 N 0.38 -0.32 0.00 3.68 2.01 0.22 0.13 115.64 121.74 1ure s THR 79 Ca -0.05 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1ure s THR 79 Cb -0.08 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.05 1ure s THR 79 CO -0.00 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1ure n GLY 80 N 5.21 1.45 3.66 4.40 0.00 -1.25 0.07 105.19 118.73 1ure n GLY 80 Ca -0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.11 0.00 0.01 2.61 -4.23 0.46 -3.72 115.64 110.65 1ure s THR 81 Ca 0.00 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1ure s THR 81 Cb 0.00 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1ure s THR 81 CO 0.00 0.00 -0.17 0.26 -0.54 0.00 0.00 174.62 174.17 1ure s TRP 82 N -2.85 1.51 -0.05 3.99 0.52 -1.26 0.17 118.94 120.96 1ure s TRP 82 Ca 0.22 -0.31 -0.10 0.00 0.02 0.00 0.00 56.10 55.93 1ure s TRP 82 Cb -0.03 -0.94 0.02 0.00 -1.15 0.00 0.00 33.47 31.37 1ure s TRP 82 CO 0.15 0.01 0.23 -0.08 0.02 0.00 0.00 176.95 177.28 1ure s THR 83 N -0.56 0.03 -0.67 2.01 -1.32 0.23 0.49 115.64 115.85 1ure s THR 83 Ca 0.06 -0.26 -0.25 0.00 -1.21 0.00 0.00 61.69 60.03 1ure s THR 83 Cb -0.07 -0.42 0.05 0.00 -1.51 0.00 0.00 72.50 70.54 1ure s THR 83 CO 0.00 -0.14 1.11 -0.32 -2.21 0.00 0.00 174.62 173.06 1ure s MET 84 N -0.51 3.21 -1.27 7.08 1.75 -1.26 -0.09 119.30 128.21 1ure s MET 84 Ca -0.06 -0.41 -0.09 0.00 -1.25 0.00 0.00 55.69 53.88 1ure s MET 84 Cb -0.04 -4.16 0.18 0.00 2.84 0.00 0.00 34.83 33.64 1ure s MET 84 CO 0.01 -1.90 1.85 -0.85 -0.65 0.00 0.00 175.02 173.49 1ure n GLU 85 N 8.43 3.69 0.00 4.11 -0.00 0.38 -4.91 120.64 132.34 1ure n GLU 85 Ca 0.01 -3.60 0.00 0.00 -0.00 0.00 0.00 57.16 53.57 1ure n GLU 85 Cb 0.47 -2.89 0.00 0.00 -0.00 0.00 0.00 31.44 29.02 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 86 N 2.69 0.36 0.00 -1.84 0.00 -1.26 -1.67 105.19 103.46 1ure n GLY 86 Ca 0.39 0.66 0.08 0.00 0.00 0.00 0.00 46.02 47.15 1ure n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ure n ASN 87 N 5.61 0.00 -3.80 1.61 5.15 -1.26 -4.87 115.26 117.70 1ure n ASN 87 Ca 0.00 -0.98 -0.09 0.00 -0.60 0.00 0.00 54.58 52.91 1ure n ASN 87 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ure s LYS 88 N -2.00 1.49 -0.23 1.20 3.01 -0.67 -4.94 119.74 117.59 1ure s LYS 88 Ca 0.23 -0.95 -0.01 0.00 -1.01 0.00 0.00 55.97 54.22 1ure s LYS 88 Cb 0.10 0.53 0.02 0.00 -1.01 0.00 0.00 37.83 37.48 1ure s LYS 88 CO 0.18 -0.64 -0.08 -1.17 0.51 0.00 0.00 175.35 174.14 1ure s LEU 89 N -2.91 3.00 0.20 3.17 1.98 -1.18 0.14 118.68 123.09 1ure s LEU 89 Ca 0.12 -0.79 0.10 0.00 -2.89 0.00 0.00 54.13 50.67 1ure s LEU 89 Cb -0.02 -1.64 -0.04 0.00 0.66 0.00 0.00 46.19 45.14 1ure s LEU 89 CO 0.01 -0.10 -0.16 0.68 -1.89 0.00 0.00 176.35 174.89 1ure s VAL 90 N 1.33 2.77 -0.22 1.68 -7.23 0.88 0.13 120.40 119.74 1ure s VAL 90 Ca 0.01 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1ure s VAL 90 Cb -0.16 -2.37 0.06 0.00 0.56 0.00 0.00 36.38 34.47 1ure s VAL 90 CO -0.06 -0.16 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.70 1ure s GLY 91 N -2.89 1.19 0.03 2.32 0.00 -1.05 0.76 107.32 107.68 1ure s GLY 91 Ca 0.24 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.77 1ure s GLY 91 CO 0.13 0.97 -0.07 0.54 0.00 0.00 0.00 173.10 174.67 1ure s LYS 92 N 1.47 2.45 -0.13 2.90 1.02 0.13 0.15 119.74 127.72 1ure s LYS 92 Ca -0.05 -0.80 -0.07 0.00 0.02 0.00 0.00 55.97 55.07 1ure s LYS 92 Cb -0.18 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1ure s LYS 92 CO -0.07 0.58 0.32 -0.06 -0.92 0.00 0.00 175.35 175.20 1ure s PHE 93 N -1.05 -0.45 0.24 3.18 0.08 0.13 -0.40 117.98 119.70 1ure s PHE 93 Ca 0.18 1.01 0.04 0.00 0.12 0.00 0.00 56.93 58.29 1ure s PHE 93 Cb -0.11 0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.46 1ure s PHE 93 CO 0.09 -0.28 0.37 0.15 -0.10 0.00 0.00 175.22 175.45 1ure s LYS 94 N 1.32 3.45 -0.03 0.44 1.02 0.11 0.10 119.74 126.14 1ure s LYS 94 Ca -0.09 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1ure s LYS 94 Cb -0.09 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1ure s LYS 94 CO -0.10 0.41 -0.01 1.03 -0.92 0.00 0.00 175.35 175.76 1ure s ARG 95 N -3.88 2.83 0.06 1.68 3.00 -1.26 0.69 118.95 122.07 1ure s ARG 95 Ca 0.35 -0.55 0.03 0.00 0.00 0.00 0.00 55.73 55.56 1ure s ARG 95 Cb -0.09 -2.69 -0.25 0.00 0.00 0.00 0.00 34.95 31.92 1ure s ARG 95 CO 0.30 0.65 1.07 0.28 0.00 0.00 0.00 175.30 177.60 1ure h VAL 96 N 3.79 1.43 -0.48 3.52 2.07 -1.93 -0.70 116.25 123.94 1ure h VAL 96 Ca -0.49 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 63.92 1ure h VAL 96 Cb 1.18 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1ure h VAL 96 CO 0.56 0.86 0.00 -0.90 0.02 0.00 0.00 177.57 178.11 1ure n ASP 97 N -3.38 3.56 0.00 0.57 5.75 -1.26 -4.57 116.55 117.21 1ure n ASP 97 Ca -0.08 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1ure n ASP 97 Cb 1.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ure n ASN 98 N 1.51 0.76 -0.04 -1.12 5.15 -1.24 -5.03 115.26 115.25 1ure n ASN 98 Ca 0.21 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.18 1ure n ASN 98 Cb 0.60 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 2.09 0.47 0.00 8.20 0.00 -0.27 -4.97 105.19 110.70 1ure n GLY 99 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.58 0.00 0.00 1.61 5.02 -1.26 -4.83 118.16 116.12 1ure n LYS 100 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ure n LYS 100 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1ure n LYS 100 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ure n GLU 101 N 0.00 0.00 -3.85 1.97 0.28 -1.26 -4.61 120.64 113.16 1ure n GLU 101 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1ure n GLU 101 Cb 0.00 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.74 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1ure s LEU 102 N 0.00 1.68 0.27 -1.84 2.96 0.29 -4.03 118.68 118.00 1ure s LEU 102 Ca 0.00 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 1ure s LEU 102 Cb 0.00 0.32 -0.06 0.00 0.50 0.00 0.00 46.19 46.96 1ure s LEU 102 CO 0.00 -0.07 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.41 1ure s ILE 103 N -0.15 1.47 0.08 6.68 2.07 -1.21 0.18 121.20 130.32 1ure s ILE 103 Ca -0.02 -2.10 -0.14 0.00 -1.41 0.00 0.00 60.65 56.98 1ure s ILE 103 Cb -0.02 -2.43 0.02 0.00 0.13 0.00 0.00 42.46 40.17 1ure s ILE 103 CO 0.00 -0.30 0.33 0.00 -1.91 0.00 0.00 174.94 173.06 1ure s ALA 104 N -3.12 -0.74 -0.32 1.50 0.00 0.39 -1.74 121.76 117.73 1ure s ALA 104 Ca 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1ure s ALA 104 Cb 0.04 0.47 0.15 0.00 0.00 0.00 0.00 23.12 23.78 1ure s ALA 104 CO 0.11 -0.51 0.33 0.08 0.00 0.00 0.00 175.76 175.77 1ure s VAL 105 N -3.17 -0.38 -0.91 0.00 1.01 -1.06 -2.53 120.40 113.35 1ure s VAL 105 Ca -0.01 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1ure s VAL 105 Cb 0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1ure s VAL 105 CO -0.07 -0.51 1.84 -0.13 0.00 0.00 0.00 175.10 176.23 1ure s ARG 106 N 2.00 2.76 -0.87 2.72 0.52 0.35 -2.71 118.95 123.72 1ure s ARG 106 Ca 0.12 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.78 1ure s ARG 106 Cb -0.14 -5.08 0.20 0.00 0.52 0.00 0.00 34.95 30.45 1ure s ARG 106 CO -0.21 -3.12 0.86 -2.00 0.02 0.00 0.00 175.30 170.86 1ure s GLU 107 N 6.61 3.64 -0.75 3.54 2.12 0.25 -3.10 118.70 131.00 1ure s GLU 107 Ca 0.65 -2.35 -0.25 0.00 0.36 0.00 0.00 54.97 53.38 1ure s GLU 107 Cb -0.06 -4.54 -0.14 0.00 0.26 0.00 0.00 34.13 29.65 1ure s GLU 107 CO -0.01 -1.39 2.41 1.51 -0.54 0.00 0.00 175.26 177.23 1ure n ILE 108 N 4.23 -0.02 -2.22 -3.70 3.06 -1.26 -2.76 119.36 116.70 1ure n ILE 108 Ca 0.17 -0.55 -0.41 0.00 -2.50 0.00 0.00 62.75 59.46 1ure n ILE 108 Cb 0.47 -1.99 -0.01 0.00 0.54 0.00 0.00 39.64 38.65 1ure n ILE 108 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1ure n SER 109 N 17.34 4.31 0.00 9.51 7.64 0.36 -4.81 113.62 147.97 1ure n SER 109 Ca 0.47 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1ure n SER 109 Cb 0.43 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ure n GLY 110 N 5.06 3.99 0.00 0.23 0.00 -1.26 -1.89 105.19 111.32 1ure n GLY 110 Ca 0.49 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.63 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 7.52 0.00 -4.15 1.61 3.02 -1.26 -4.58 115.26 117.42 1ure n ASN 111 Ca 0.00 -0.65 -0.33 0.00 -0.03 0.00 0.00 54.58 53.57 1ure n ASN 111 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.00 2.90 -0.18 3.52 8.01 -0.79 -4.11 118.70 126.05 1ure s GLU 112 Ca 0.26 -0.90 -0.22 0.00 0.01 0.00 0.00 54.97 54.11 1ure s GLU 112 Cb 0.12 -2.74 -0.02 0.00 -4.31 0.00 0.00 34.13 27.17 1ure s GLU 112 CO 0.20 -0.29 0.68 -1.17 0.01 0.00 0.00 175.26 174.69 1ure s LEU 113 N 1.29 4.17 -0.10 1.80 2.96 -0.92 0.13 118.68 128.02 1ure s LEU 113 Ca 0.02 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1ure s LEU 113 Cb -0.15 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1ure s LEU 113 CO -0.09 -0.28 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.88 1ure s ILE 114 N 1.83 2.98 -0.44 6.68 -1.09 -1.11 -0.90 121.20 129.15 1ure s ILE 114 Ca 0.32 -0.71 -0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1ure s ILE 114 Cb -0.16 -2.21 0.12 0.00 -1.58 0.00 0.00 42.46 38.62 1ure s ILE 114 CO 0.11 0.55 0.21 -1.10 -1.23 0.00 0.00 174.94 173.49 1ure s GLN 115 N -0.02 1.97 1.00 2.79 -0.21 0.06 0.85 119.66 126.09 1ure s GLN 115 Ca -0.04 -2.04 -0.15 0.00 0.02 0.00 0.00 55.36 53.15 1ure s GLN 115 Cb -0.14 -3.49 0.19 0.00 1.00 0.00 0.00 33.01 30.57 1ure s GLN 115 CO 0.04 -1.06 1.18 0.95 -2.12 0.00 0.00 175.29 174.28 1ure s THR 116 N 0.73 1.89 -0.30 -0.19 -4.23 -1.10 -2.14 115.64 110.31 1ure s THR 116 Ca 0.11 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1ure s THR 116 Cb -0.22 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 71.03 1ure s THR 116 CO -0.05 0.00 0.71 -0.31 -0.54 0.00 0.00 174.62 174.44 1ure s TYR 117 N -3.38 -1.29 -0.64 3.99 2.02 -1.13 -2.58 117.35 114.34 1ure s TYR 117 Ca 0.69 1.79 -0.01 0.00 -0.37 0.00 0.00 57.07 59.16 1ure s TYR 117 Cb -0.10 0.61 0.16 0.00 -0.40 0.00 0.00 41.96 42.23 1ure s TYR 117 CO 0.54 -0.67 0.45 0.99 -1.57 0.00 0.00 175.55 175.29 1ure s THR 118 N 2.83 3.59 -0.04 -0.71 2.01 -0.71 -1.92 115.64 120.69 1ure s THR 118 Ca 0.05 -3.17 -0.26 0.00 0.31 0.00 0.00 61.69 58.61 1ure s THR 118 Cb -0.12 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1ure s THR 118 CO -0.19 -0.90 0.82 -0.47 -0.69 0.00 0.00 174.62 173.20 1ure s TYR 119 N -0.31 3.61 0.00 4.92 5.04 -1.22 -3.34 117.35 126.06 1ure s TYR 119 Ca 0.18 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1ure s TYR 119 Cb -0.19 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.17 1ure s TYR 119 CO -0.04 0.05 0.00 0.39 -1.34 0.00 0.00 175.55 174.60 1ure n GLU 120 N 3.83 0.00 0.00 4.97 -0.58 -1.26 -1.93 120.64 125.67 1ure n GLU 120 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1ure n GLU 120 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 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 0.00 0.00 2.87 0.62 0.00 -1.26 -5.11 105.19 102.30 1ure n GLY 121 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.67 0.80 1.61 1.01 -0.81 -5.10 120.40 119.58 1ure s VAL 122 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 61.98 59.74 1ure s VAL 122 Cb 0.00 -2.23 0.20 0.00 0.00 0.00 0.00 36.38 34.36 1ure s VAL 122 CO 0.00 -0.68 0.53 -0.62 0.00 0.00 0.00 175.10 174.32 1ure n GLU 123 N 4.28 -3.27 -2.73 2.72 1.02 -1.24 -3.38 120.64 118.05 1ure n GLU 123 Ca 0.02 -0.87 0.01 0.00 -0.02 0.00 0.00 57.16 56.30 1ure n GLU 123 Cb 0.40 -1.03 0.01 0.00 -0.02 0.00 0.00 31.44 30.80 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 -2.32 -4.58 0.32 0.62 0.00 -0.81 -4.30 121.76 110.70 1ure s ALA 124 Ca 0.38 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 1ure s ALA 124 Cb -0.06 -3.03 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1ure s ALA 124 CO 0.31 -2.52 1.26 0.15 0.00 0.00 0.00 175.76 174.97 1ure s LYS 125 N 1.78 4.41 -0.45 0.00 3.01 -1.26 -2.83 119.74 124.40 1ure s LYS 125 Ca 0.16 2.13 0.03 0.00 -1.01 0.00 0.00 55.97 57.28 1ure s LYS 125 Cb 0.05 -3.10 0.15 0.00 -1.01 0.00 0.00 37.83 33.93 1ure s LYS 125 CO -0.15 -0.11 0.31 1.03 0.51 0.00 0.00 175.35 176.95 1ure s ARG 126 N -1.72 1.20 -0.41 1.68 1.81 -0.91 -1.09 118.95 119.52 1ure s ARG 126 Ca 0.48 -2.12 -0.26 0.00 -1.72 0.00 0.00 55.73 52.11 1ure s ARG 126 Cb -0.38 -2.00 0.02 0.00 -0.45 0.00 0.00 34.95 32.14 1ure s ARG 126 CO 0.50 -1.27 0.96 0.42 -0.68 0.00 0.00 175.30 175.23 1ure s ILE 127 N 0.11 4.50 -0.13 1.52 1.01 -0.35 -0.76 121.20 127.10 1ure s ILE 127 Ca 0.24 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 1ure s ILE 127 Cb -0.12 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1ure s ILE 127 CO -0.09 -0.69 0.09 -0.36 0.00 0.00 0.00 174.94 173.89 1ure s PHE 128 N 3.69 3.41 -2.28 3.97 0.40 -0.08 -1.41 117.98 125.69 1ure s PHE 128 Ca 0.39 0.35 0.20 0.00 -0.60 0.00 0.00 56.93 57.27 1ure s PHE 128 Cb -0.11 -1.95 0.60 0.00 0.51 0.00 0.00 43.02 42.07 1ure s PHE 128 CO 0.23 0.53 1.47 1.63 0.70 0.00 0.00 175.22 179.77 1ure n LYS 129 N 2.44 1.98 -0.30 0.44 4.76 -1.24 -2.15 118.16 124.08 1ure n LYS 129 Ca -0.19 -1.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 1ure n LYS 129 Cb 0.54 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.71 -0.87 -0.99 1.97 0.00 -1.26 -4.78 118.16 112.94 1ure n LYS 130 Ca 0.17 0.64 0.00 0.00 0.00 0.00 0.00 58.31 59.12 1ure n LYS 130 Cb 0.41 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.72 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49