#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 0.00 -1.53 0.00 3.72 -1.26 -4.79 117.46 113.60 1ure n PHE 2 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1ure n PHE 2 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 1ure n PHE 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ure n ASP 3 N 2.29 0.69 0.00 4.37 2.03 -1.26 -4.38 116.55 120.29 1ure n ASP 3 Ca 0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1ure n ASP 3 Cb 0.00 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 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 6.20 -0.21 3.84 0.27 0.00 -0.77 -4.99 105.19 109.53 1ure n GLY 4 Ca 0.55 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.79 4.66 -0.04 2.61 -4.23 -1.26 -0.99 115.64 114.59 1ure s THR 5 Ca 0.00 1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 61.51 1ure s THR 5 Cb 0.00 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1ure s THR 5 CO 0.00 -0.03 0.12 0.26 -0.54 0.00 0.00 174.62 174.43 1ure s TRP 6 N -1.80 -0.12 -0.34 3.99 0.52 0.22 -0.73 118.94 120.67 1ure s TRP 6 Ca 0.49 0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.93 1ure s TRP 6 Cb -0.13 0.04 0.14 0.00 -1.15 0.00 0.00 33.47 32.38 1ure s TRP 6 CO 0.19 -0.07 0.28 0.21 0.02 0.00 0.00 176.95 177.58 1ure s LYS 7 N 0.03 0.51 -0.07 4.98 2.20 -1.26 0.13 119.74 126.26 1ure s LYS 7 Ca -0.00 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.44 1ure s LYS 7 Cb -0.01 -0.95 -0.14 0.00 -1.51 0.00 0.00 37.83 35.21 1ure s LYS 7 CO 0.00 -1.16 0.84 1.55 -0.36 0.00 0.00 175.35 176.23 1ure n VAL 8 N 4.45 0.00 0.00 4.02 3.14 -1.15 -4.15 118.33 124.64 1ure n VAL 8 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1ure n VAL 8 Cb 0.42 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 1.41 3.41 -3.16 6.55 2.03 -0.36 -4.84 116.55 121.59 1ure n ASP 9 Ca 0.16 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.27 1ure n ASP 9 Cb 0.04 0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 40.99 1ure n ASP 9 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ure n ARG 10 N -1.16 0.88 -1.08 -0.67 1.85 -1.13 -5.07 116.66 110.27 1ure n ARG 10 Ca 0.00 -3.22 -0.36 0.00 -1.00 0.00 0.00 57.85 53.27 1ure n ARG 10 Cb 0.10 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.07 1ure n ARG 10 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ure n ASN 11 N 0.71 -2.63 -3.80 2.89 3.02 -1.26 -4.26 115.26 109.93 1ure n ASN 11 Ca 0.22 0.45 -0.13 0.00 -0.03 0.00 0.00 54.58 55.09 1ure n ASN 11 Cb 0.62 -1.09 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 1ure n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ure s GLU 12 N -2.67 0.14 -1.51 3.52 2.02 0.15 -4.82 118.70 115.52 1ure s GLU 12 Ca 0.57 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.81 1ure s GLU 12 Cb -0.29 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1ure s GLU 12 CO 0.66 -0.06 0.00 -1.71 0.02 0.00 0.00 175.26 174.17 1ure n ASN 13 N 3.38 -3.85 0.11 -0.19 5.15 -1.26 0.16 115.26 118.76 1ure n ASN 13 Ca -0.17 0.34 -0.17 0.00 -0.60 0.00 0.00 54.58 53.98 1ure n ASN 13 Cb 0.57 -3.53 -0.14 0.00 -0.53 0.00 0.00 39.78 36.15 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 0.58 0.00 1.20 3.20 -1.80 -3.10 116.97 117.05 1ure h TYR 14 Ca -0.30 -0.42 -0.08 0.00 3.14 0.00 0.00 58.73 61.08 1ure h TYR 14 Cb 0.96 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1ure h TYR 14 CO 0.42 1.32 -0.36 0.93 -1.64 0.00 0.00 178.16 178.84 1ure h GLU 15 N 0.09 0.00 0.00 1.82 4.39 -1.94 -3.11 114.58 115.83 1ure h GLU 15 Ca -0.15 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.37 1ure h GLU 15 Cb 1.99 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.61 1ure h GLU 15 CO 0.21 0.36 -0.87 -0.22 -1.16 0.00 0.00 179.01 177.33 1ure h LYS 16 N 0.00 0.00 -0.21 2.33 3.64 -1.91 -2.95 116.57 117.47 1ure h LYS 16 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1ure h LYS 16 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1ure h LYS 16 CO 0.05 0.87 -0.40 0.35 -2.27 0.00 0.00 179.45 178.05 1ure h PHE 17 N 0.00 0.57 0.00 1.91 3.57 -1.47 -1.57 116.94 119.95 1ure h PHE 17 Ca -0.01 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.22 1ure h PHE 17 Cb 1.60 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 1ure h PHE 17 CO 0.00 0.81 -0.51 0.52 -2.23 0.00 0.00 178.31 176.90 1ure h MET 18 N 0.40 0.00 0.00 1.11 2.86 -1.61 -3.07 114.93 114.62 1ure h MET 18 Ca 0.04 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1ure h MET 18 Cb 0.87 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1ure h MET 18 CO 0.07 0.51 -0.52 1.49 1.06 0.00 0.00 176.91 179.52 1ure h GLU 19 N 0.00 0.00 -0.02 1.72 4.22 -1.28 0.16 114.58 119.38 1ure h GLU 19 Ca -0.01 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.32 1ure h GLU 19 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1ure h GLU 19 CO 0.07 0.52 -0.53 -0.22 -2.18 0.00 0.00 179.01 176.67 1ure h LYS 20 N 0.00 0.05 0.10 1.92 3.11 -1.20 -2.99 116.57 117.56 1ure h LYS 20 Ca -0.01 -0.03 -0.26 0.00 -2.81 0.00 0.00 60.65 57.55 1ure h LYS 20 Cb 1.38 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.61 1ure h LYS 20 CO 0.07 0.56 -1.18 0.52 -2.81 0.00 0.00 179.45 176.61 1ure h MET 21 N 0.04 0.21 0.00 1.90 2.86 -1.58 -3.48 114.93 114.88 1ure h MET 21 Ca -0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1ure h MET 21 Cb 0.95 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1ure h MET 21 CO 0.07 1.17 0.00 0.41 1.06 0.00 0.00 176.91 179.62 1ure n GLY 22 N 1.48 1.25 3.57 8.32 0.00 -1.05 -5.01 105.19 113.76 1ure n GLY 22 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 3.53 0.00 -0.61 -1.09 0.54 -4.88 121.20 116.69 1ure s ILE 23 Ca 0.00 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1ure s ILE 23 Cb 0.00 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1ure s ILE 23 CO 0.00 -1.02 0.00 0.59 -1.23 0.00 0.00 174.94 173.28 1ure n ASN 24 N 13.91 0.00 0.00 3.58 3.02 -1.26 -4.34 115.26 130.17 1ure n ASN 24 Ca 0.43 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1ure n ASN 24 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1ure n ASN 24 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ure n VAL 25 N 0.00 0.00 0.20 2.41 0.24 -1.26 -4.96 118.33 114.95 1ure n VAL 25 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 1ure n VAL 25 Cb 0.00 -0.10 0.26 0.00 -1.47 0.00 0.00 33.84 32.52 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1ure h VAL 26 N 0.00 0.48 0.00 3.34 -1.51 -2.02 -3.23 116.25 113.31 1ure h VAL 26 Ca 0.00 -1.42 -0.09 0.00 -1.23 0.00 0.00 66.70 63.96 1ure h VAL 26 Cb 0.00 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1ure h VAL 26 CO 0.00 0.24 -0.42 0.11 -1.23 0.00 0.00 177.57 176.28 1ure h LYS 27 N 0.00 0.00 0.00 5.19 1.57 -1.93 -3.01 116.57 118.39 1ure h LYS 27 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ure h LYS 27 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1ure h LYS 27 CO 0.03 0.42 -0.22 0.07 -0.57 0.00 0.00 179.45 179.18 1ure h ARG 28 N 0.00 0.00 0.03 3.15 0.11 -1.75 -1.99 114.38 113.93 1ure h ARG 28 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ure h ARG 28 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1ure h ARG 28 CO 0.05 0.22 -0.01 -0.22 0.10 0.00 0.00 179.97 180.11 1ure h LYS 29 N 0.00 -0.03 0.00 0.08 3.64 -1.63 0.90 116.57 119.53 1ure h LYS 29 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1ure h LYS 29 Cb 1.13 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1ure h LYS 29 CO 0.03 0.23 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.01 1ure h LEU 30 N -0.30 0.00 -0.31 5.20 4.07 -1.62 -2.65 115.31 119.70 1ure h LEU 30 Ca -0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 1ure h LEU 30 Cb 0.28 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1ure h LEU 30 CO 0.01 0.36 -0.86 1.23 -1.08 0.00 0.00 178.44 178.09 1ure h GLY 31 N 2.85 0.12 1.30 0.83 0.00 -1.07 -2.84 103.07 104.25 1ure h GLY 31 Ca -0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 47.33 46.83 1ure h GLY 31 CO 0.05 0.19 -1.13 0.00 0.00 0.00 0.00 176.54 175.65 1ure h ALA 32 N 1.06 0.11 -1.13 3.60 0.00 0.11 -3.33 119.26 119.67 1ure h ALA 32 Ca -0.03 -0.74 -0.68 0.00 0.00 0.00 0.00 54.91 53.46 1ure h ALA 32 Cb 1.49 0.07 -0.33 0.00 0.00 0.00 0.00 17.79 19.02 1ure h ALA 32 CO 0.12 0.72 0.31 1.58 0.00 0.00 0.00 179.25 181.98 1ure n HIS 33 N -3.79 3.13 -0.04 0.00 -0.00 -1.02 -4.82 115.22 108.68 1ure n HIS 33 Ca -0.11 -2.66 -0.10 0.00 -0.00 0.00 0.00 57.72 54.85 1ure n HIS 33 Cb 0.93 -0.81 0.05 0.00 -0.00 0.00 0.00 29.99 30.16 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 2.64 0.73 0.00 0.26 2.03 -1.61 -3.47 116.42 117.00 1ure h ASP 34 Ca 0.47 -0.35 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1ure h ASP 34 Cb 0.56 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1ure h ASP 34 CO 1.22 1.07 0.00 0.59 -1.03 0.00 0.00 179.24 181.09 1ure n ASN 35 N -4.02 -1.13 -4.52 4.15 4.13 -1.26 -3.50 115.26 109.11 1ure n ASN 35 Ca -0.02 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.96 1ure n ASN 35 Cb 0.55 -0.45 -0.13 0.00 -1.54 0.00 0.00 39.78 38.21 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ure n LEU 36 N 0.00 0.49 -4.37 3.41 7.94 -1.24 -4.48 117.00 118.75 1ure n LEU 36 Ca 0.00 -0.55 -0.45 0.00 -1.11 0.00 0.00 56.01 53.90 1ure n LEU 36 Cb 0.40 -1.10 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 1ure n LEU 36 CO 0.00 -1.54 0.26 -0.75 -1.11 0.00 0.00 177.39 174.25 1ure s LYS 37 N 8.24 3.03 -0.06 1.96 2.20 -0.68 -2.94 119.74 131.49 1ure s LYS 37 Ca 1.18 -1.35 -0.23 0.00 -0.36 0.00 0.00 55.97 55.21 1ure s LYS 37 Cb -0.67 -4.22 -0.04 0.00 -1.51 0.00 0.00 37.83 31.39 1ure s LYS 37 CO 0.38 -1.34 0.67 -1.17 -0.36 0.00 0.00 175.35 173.53 1ure s LEU 38 N 2.21 4.32 -0.37 5.43 2.96 0.34 -2.61 118.68 130.96 1ure s LEU 38 Ca 0.09 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.18 1ure s LEU 38 Cb -0.25 -3.03 0.11 0.00 0.50 0.00 0.00 46.19 43.52 1ure s LEU 38 CO 0.07 -0.08 0.10 -0.89 -1.32 0.00 0.00 176.35 174.22 1ure s THR 39 N 0.67 2.43 0.05 3.68 2.01 -0.97 0.70 115.64 124.22 1ure s THR 39 Ca 0.36 -2.45 -0.16 0.00 0.31 0.00 0.00 61.69 59.75 1ure s THR 39 Cb -0.18 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 1ure s THR 39 CO 0.17 -0.64 0.49 -0.63 -0.69 0.00 0.00 174.62 173.32 1ure s ILE 40 N 0.76 4.90 -0.38 1.82 1.01 -0.16 0.35 121.20 129.51 1ure s ILE 40 Ca 0.12 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1ure s ILE 40 Cb -0.20 -3.78 0.13 0.00 0.01 0.00 0.00 42.46 38.61 1ure s ILE 40 CO -0.07 0.51 0.19 -0.89 0.00 0.00 0.00 174.94 174.68 1ure s THR 41 N -1.17 0.86 -0.71 2.92 2.01 -1.01 -1.84 115.64 116.71 1ure s THR 41 Ca 0.28 -1.95 -0.27 0.00 0.31 0.00 0.00 61.69 60.07 1ure s THR 41 Cb -0.17 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1ure s THR 41 CO 0.17 -0.86 1.25 -1.10 -0.69 0.00 0.00 174.62 173.39 1ure s GLN 42 N 0.95 3.24 -0.99 4.92 -0.21 -1.26 -3.39 119.66 122.92 1ure s GLN 42 Ca 0.15 -0.18 -0.02 0.00 0.02 0.00 0.00 55.36 55.33 1ure s GLN 42 Cb -0.22 -4.15 0.31 0.00 1.00 0.00 0.00 33.01 29.94 1ure s GLN 42 CO -0.08 -2.06 1.45 -1.91 -2.12 0.00 0.00 175.29 170.57 1ure n GLU 43 N 9.17 4.42 0.00 2.91 2.13 -0.99 -4.91 120.64 133.36 1ure n GLU 43 Ca 0.04 -4.62 0.00 0.00 0.66 0.00 0.00 57.16 53.24 1ure n GLU 43 Cb 0.49 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.74 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 0.85 1.49 0.00 8.31 0.00 -1.26 -3.37 105.19 111.21 1ure n GLY 44 Ca 0.32 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 3.65 1.17 -4.79 1.61 3.02 -1.26 -4.99 115.26 113.67 1ure n ASN 45 Ca 0.00 -0.50 -0.37 0.00 -0.03 0.00 0.00 54.58 53.68 1ure n ASN 45 Cb 0.00 1.13 -0.06 0.00 -0.61 0.00 0.00 39.78 40.24 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ure s LYS 46 N -2.09 4.48 -0.56 3.52 2.20 -1.22 -2.81 119.74 123.27 1ure s LYS 46 Ca 0.01 1.16 0.04 0.00 -0.36 0.00 0.00 55.97 56.83 1ure s LYS 46 Cb 0.07 -2.88 0.14 0.00 -1.51 0.00 0.00 37.83 33.65 1ure s LYS 46 CO 0.37 0.35 0.33 -0.06 -0.36 0.00 0.00 175.35 175.99 1ure s PHE 47 N -1.53 3.01 -0.54 4.03 0.40 -1.24 -2.35 117.98 119.75 1ure s PHE 47 Ca 0.46 -3.06 -0.21 0.00 -0.60 0.00 0.00 56.93 53.52 1ure s PHE 47 Cb -0.19 -2.55 0.06 0.00 0.51 0.00 0.00 43.02 40.86 1ure s PHE 47 CO 0.23 -0.69 0.75 -0.08 0.70 0.00 0.00 175.22 176.13 1ure s THR 48 N -0.53 4.69 -0.32 0.64 -1.32 -1.22 -2.22 115.64 115.38 1ure s THR 48 Ca 0.20 -0.36 -0.12 0.00 -1.21 0.00 0.00 61.69 60.20 1ure s THR 48 Cb -0.18 -4.42 -0.03 0.00 -1.51 0.00 0.00 72.50 66.36 1ure s THR 48 CO -0.06 -0.99 0.21 0.68 -2.21 0.00 0.00 174.62 172.26 1ure s VAL 49 N 3.10 5.19 0.61 5.08 -7.23 0.51 -2.39 120.40 125.28 1ure s VAL 49 Ca 0.19 -0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.04 1ure s VAL 49 Cb -0.18 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 1ure s VAL 49 CO 0.13 0.08 1.26 -0.75 -0.31 0.00 0.00 175.10 175.50 1ure s LYS 50 N 1.72 2.83 -0.41 4.82 2.20 0.16 0.13 119.74 131.19 1ure s LYS 50 Ca 0.06 1.97 0.10 0.00 -0.36 0.00 0.00 55.97 57.73 1ure s LYS 50 Cb -0.17 -1.94 0.31 0.00 -1.51 0.00 0.00 37.83 34.52 1ure s LYS 50 CO 0.10 -1.35 0.67 -1.91 -0.36 0.00 0.00 175.35 172.50 1ure n GLU 51 N -1.64 1.15 -1.78 4.03 2.13 -1.11 -2.28 120.64 121.14 1ure n GLU 51 Ca 0.14 -3.52 -0.40 0.00 0.66 0.00 0.00 57.16 54.04 1ure n GLU 51 Cb 0.48 -1.60 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 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 0.69 3.48 -1.84 4.31 7.64 -1.08 -4.06 113.62 122.77 1ure n SER 52 Ca 0.24 -2.78 -0.07 0.00 1.01 0.00 0.00 58.87 57.28 1ure n SER 52 Cb 0.58 -1.52 0.27 0.00 -1.01 0.00 0.00 64.21 62.53 1ure n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ure n SER 53 N 8.65 4.32 0.00 6.43 2.88 -1.25 -1.68 113.62 132.97 1ure n SER 53 Ca 0.49 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 1ure n SER 53 Cb 0.42 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1ure n SER 53 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ure n ASN 54 N -0.46 0.00 -0.18 -3.46 5.15 -1.23 -4.59 115.26 110.50 1ure n ASN 54 Ca 0.41 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.34 1ure n ASN 54 Cb 1.35 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 40.64 1ure n ASN 54 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1ure h PHE 55 N 0.00 0.60 -1.55 1.20 0.04 -1.90 -3.44 116.94 111.88 1ure h PHE 55 Ca 0.00 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.86 1ure h PHE 55 Cb 0.00 -0.19 -0.25 0.00 2.20 0.00 0.00 35.95 37.71 1ure h PHE 55 CO 0.00 0.34 0.52 0.50 -0.60 0.00 0.00 178.31 179.07 1ure s ARG 56 N -6.14 0.52 -1.19 1.51 3.52 -1.26 -5.06 118.95 110.85 1ure s ARG 56 Ca -0.13 0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.73 1ure s ARG 56 Cb 0.13 0.25 0.21 0.00 -1.56 0.00 0.00 34.95 33.98 1ure s ARG 56 CO 0.74 -0.11 1.41 -1.71 -0.81 0.00 0.00 175.30 174.82 1ure n ASN 57 N 1.53 5.37 -4.26 -2.12 5.15 -1.26 -3.79 115.26 115.87 1ure n ASN 57 Ca -0.11 -3.04 -0.37 0.00 -0.60 0.00 0.00 54.58 50.46 1ure n ASN 57 Cb 0.57 -1.49 -0.13 0.00 -0.53 0.00 0.00 39.78 38.20 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 0.37 3.67 0.27 -1.44 2.07 -1.26 -4.96 121.20 119.92 1ure s ILE 58 Ca 0.39 -1.16 -0.30 0.00 -1.41 0.00 0.00 60.65 58.17 1ure s ILE 58 Cb -0.03 -3.08 -0.11 0.00 0.13 0.00 0.00 42.46 39.38 1ure s ILE 58 CO -0.01 -0.16 1.51 -1.81 -1.91 0.00 0.00 174.94 172.56 1ure s ASP 59 N 1.38 6.52 -0.66 4.50 1.01 -1.26 -2.77 116.67 125.39 1ure s ASP 59 Ca -0.02 2.80 -0.08 0.00 0.71 0.00 0.00 52.55 55.97 1ure s ASP 59 Cb -0.19 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.28 1ure s ASP 59 CO 0.02 -0.80 0.52 -0.69 0.21 0.00 0.00 175.17 174.43 1ure s VAL 60 N -0.01 4.41 -0.03 -1.27 1.01 0.35 -4.84 120.40 120.02 1ure s VAL 60 Ca 0.61 -2.56 -0.18 0.00 0.00 0.00 0.00 61.98 59.84 1ure s VAL 60 Cb -0.45 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1ure s VAL 60 CO 0.46 -0.90 0.51 0.68 0.00 0.00 0.00 175.10 175.85 1ure s VAL 61 N 0.30 5.00 -0.32 2.92 -7.23 -1.26 -0.36 120.40 119.46 1ure s VAL 61 Ca 0.15 1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 61.38 1ure s VAL 61 Cb -0.18 -3.84 0.19 0.00 0.56 0.00 0.00 36.38 33.10 1ure s VAL 61 CO -0.05 0.44 0.78 0.72 -0.31 0.00 0.00 175.10 176.69 1ure s PHE 62 N -0.26 -1.28 0.56 2.82 -0.12 -0.94 -4.94 117.98 113.82 1ure s PHE 62 Ca 0.28 0.60 -0.20 0.00 -0.05 0.00 0.00 56.93 57.56 1ure s PHE 62 Cb -0.17 0.22 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 1ure s PHE 62 CO 0.14 -0.78 1.08 -1.91 -0.05 0.00 0.00 175.22 173.71 1ure n GLU 63 N 4.98 1.17 -1.68 1.99 2.13 -1.26 -3.71 120.64 124.26 1ure n GLU 63 Ca 0.07 0.44 -0.35 0.00 0.66 0.00 0.00 57.16 57.98 1ure n GLU 63 Cb 0.57 -2.26 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 1ure n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ure s LEU 64 N -2.21 3.35 0.00 4.31 1.43 -1.12 -1.76 118.68 122.67 1ure s LEU 64 Ca 0.73 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1ure s LEU 64 Cb -0.44 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1ure s LEU 64 CO 0.49 -2.82 0.00 0.61 0.23 0.00 0.00 176.35 174.86 1ure n GLY 65 N 5.98 1.49 2.92 -3.19 0.00 -1.00 -4.97 105.19 106.43 1ure n GLY 65 Ca 0.33 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1ure n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ure n VAL 66 N -0.73 2.66 -1.08 1.61 0.24 -0.72 -5.03 118.33 115.28 1ure n VAL 66 Ca 0.00 -5.12 -0.36 0.00 -2.04 0.00 0.00 64.34 56.82 1ure n VAL 66 Cb 0.03 -2.25 -0.11 0.00 -1.47 0.00 0.00 33.84 30.04 1ure n VAL 66 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ure n ASP 67 N 1.87 0.33 -4.76 -1.34 5.75 -1.26 -4.76 116.55 112.39 1ure n ASP 67 Ca 0.23 0.26 -0.29 0.00 -0.01 0.00 0.00 54.79 54.98 1ure n ASP 67 Cb 0.37 -0.69 -0.07 0.00 -1.03 0.00 0.00 41.12 39.70 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 6.09 2.11 -0.12 2.11 -0.71 -0.96 -4.93 117.98 121.58 1ure s PHE 68 Ca 0.99 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 56.11 1ure s PHE 68 Cb -1.01 -1.79 0.01 0.00 -1.21 0.00 0.00 43.02 39.02 1ure s PHE 68 CO 0.41 0.12 -0.18 0.00 -1.34 0.00 0.00 175.22 174.23 1ure s ALA 69 N -2.76 1.90 0.00 1.99 0.00 -1.26 -1.00 121.76 120.63 1ure s ALA 69 Ca 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ure s ALA 69 Cb 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1ure s ALA 69 CO 0.14 -0.01 0.00 0.98 0.00 0.00 0.00 175.76 176.87 1ure n TYR 70 N 4.06 0.00 -0.63 0.00 9.36 0.19 -4.97 117.16 125.16 1ure n TYR 70 Ca -0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1ure n TYR 70 Cb 0.52 0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 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 -2.55 -3.82 -1.19 2.98 7.64 -1.13 -4.86 113.62 110.69 1ure n SER 71 Ca 0.00 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1ure n SER 71 Cb 0.46 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 -1.26 0.00 -0.09 -3.43 4.32 0.13 -4.82 117.00 111.85 1ure n LEU 72 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.78 1ure n LEU 72 Cb 0.06 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.74 1ure n LEU 72 CO 0.00 -0.21 -0.49 0.00 -1.22 0.00 0.00 177.39 175.47 1ure h ALA 73 N -0.70 0.26 0.00 -1.18 0.00 -1.96 -3.42 119.26 112.26 1ure h ALA 73 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1ure h ALA 73 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ure h ALA 73 CO 0.00 0.73 -0.07 -3.47 0.00 0.00 0.00 179.25 176.44 1ure n ASP 74 N -4.33 1.16 -0.07 0.00 2.03 -1.26 -4.78 116.55 109.30 1ure n ASP 74 Ca -0.30 -1.86 0.06 0.00 0.52 0.00 0.00 54.79 53.21 1ure n ASP 74 Cb 0.72 -0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.43 -0.23 3.75 0.27 0.00 -1.26 -5.00 105.19 102.28 1ure n GLY 75 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.09 0.00 -1.88 2.61 -2.24 -1.26 -4.83 114.28 105.59 1ure n THR 76 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1ure n THR 76 Cb 0.23 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1ure n THR 76 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ure s GLU 77 N 0.00 4.08 -0.07 -0.78 8.01 -1.26 0.19 118.70 128.87 1ure s GLU 77 Ca 0.00 2.45 -0.03 0.00 0.01 0.00 0.00 54.97 57.39 1ure s GLU 77 Cb 0.00 -2.92 0.04 0.00 -4.31 0.00 0.00 34.13 26.94 1ure s GLU 77 CO 0.00 -0.50 0.16 -1.17 0.01 0.00 0.00 175.26 173.75 1ure s LEU 78 N -2.16 0.59 -0.12 1.80 2.96 -1.24 -4.37 118.68 116.13 1ure s LEU 78 Ca 0.54 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1ure s LEU 78 Cb -0.44 0.39 0.06 0.00 0.50 0.00 0.00 46.19 46.70 1ure s LEU 78 CO 0.59 -0.16 0.25 -0.89 -1.32 0.00 0.00 176.35 174.82 1ure s THR 79 N 1.33 -0.33 0.00 3.68 2.01 0.34 0.52 115.64 123.19 1ure s THR 79 Ca -0.08 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1ure s THR 79 Cb -0.12 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1ure s THR 79 CO -0.06 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1ure n GLY 80 N 5.14 2.73 3.60 4.40 0.00 -0.17 0.79 105.19 121.69 1ure n GLY 80 Ca -0.10 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.54 0.00 -0.02 2.61 -4.23 -0.92 -2.26 115.64 110.27 1ure s THR 81 Ca 0.00 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1ure s THR 81 Cb 0.00 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1ure s THR 81 CO 0.00 0.00 -0.19 0.26 -0.54 0.00 0.00 174.62 174.15 1ure s TRP 82 N -3.82 1.75 -0.01 3.99 0.52 -1.26 -0.10 118.94 120.01 1ure s TRP 82 Ca 0.22 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.89 1ure s TRP 82 Cb -0.01 -1.13 0.01 0.00 -1.15 0.00 0.00 33.47 31.19 1ure s TRP 82 CO 0.10 -0.04 0.23 -0.08 0.02 0.00 0.00 176.95 177.19 1ure s THR 83 N -0.43 0.07 -0.02 2.01 -1.32 0.00 -2.39 115.64 113.56 1ure s THR 83 Ca 0.07 -0.54 -0.28 0.00 -1.21 0.00 0.00 61.69 59.72 1ure s THR 83 Cb -0.08 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 1ure s THR 83 CO -0.01 -0.30 0.90 -0.32 -2.21 0.00 0.00 174.62 172.69 1ure s MET 84 N -1.28 4.53 -0.80 7.08 1.75 -1.26 0.71 119.30 130.03 1ure s MET 84 Ca -0.13 1.27 0.02 0.00 -1.25 0.00 0.00 55.69 55.60 1ure s MET 84 Cb -0.06 -3.46 0.33 0.00 2.84 0.00 0.00 34.83 34.48 1ure s MET 84 CO 0.03 -0.02 1.37 -1.91 -0.65 0.00 0.00 175.02 173.84 1ure n GLU 85 N 3.86 4.29 0.00 4.11 0.00 0.23 -4.93 120.64 128.20 1ure n GLU 85 Ca 0.04 -4.77 0.00 0.00 0.00 0.00 0.00 57.16 52.43 1ure n GLU 85 Cb 0.51 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.60 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 -0.13 1.51 1.13 8.31 0.00 -1.26 -2.97 105.19 111.78 1ure n GLY 86 Ca 0.38 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.67 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 6.18 3.30 -3.68 1.61 3.02 -1.26 -4.94 115.26 119.50 1ure n ASN 87 Ca 0.00 -2.16 -0.16 0.00 -0.03 0.00 0.00 54.58 52.22 1ure n ASN 87 Cb 0.00 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ure s LYS 88 N -1.51 1.55 0.01 3.52 3.01 -1.16 -4.62 119.74 120.54 1ure s LYS 88 Ca 0.38 -1.86 0.06 0.00 -1.01 0.00 0.00 55.97 53.54 1ure s LYS 88 Cb 0.22 0.31 -0.02 0.00 -1.01 0.00 0.00 37.83 37.33 1ure s LYS 88 CO 0.22 -0.56 -0.20 -1.17 0.51 0.00 0.00 175.35 174.16 1ure s LEU 89 N -3.29 2.09 -0.09 3.17 0.20 -1.11 0.73 118.68 120.39 1ure s LEU 89 Ca 0.40 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.79 1ure s LEU 89 Cb 0.04 -0.97 0.03 0.00 -0.43 0.00 0.00 46.19 44.85 1ure s LEU 89 CO 0.22 0.20 -0.02 0.54 -0.29 0.00 0.00 176.35 177.00 1ure s VAL 90 N -0.59 0.56 -0.55 1.68 0.11 0.22 0.91 120.40 122.74 1ure s VAL 90 Ca 0.07 -0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 1ure s VAL 90 Cb -0.08 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.16 1ure s VAL 90 CO 0.00 0.28 0.71 -0.83 -3.33 0.00 0.00 175.10 171.93 1ure s GLY 91 N 1.90 1.71 0.18 6.54 0.00 -0.26 -0.82 107.32 116.58 1ure s GLY 91 Ca 0.05 -1.89 -0.00 0.00 0.00 0.00 0.00 44.72 42.88 1ure s GLY 91 CO -0.06 1.60 0.36 0.54 0.00 0.00 0.00 173.10 175.54 1ure s LYS 92 N 2.87 3.50 -0.20 2.90 1.02 0.86 -0.48 119.74 130.21 1ure s LYS 92 Ca 0.15 -0.39 -0.06 0.00 0.02 0.00 0.00 55.97 55.69 1ure s LYS 92 Cb -0.20 -2.88 0.09 0.00 -0.52 0.00 0.00 37.83 34.33 1ure s LYS 92 CO 0.10 0.44 0.40 -0.06 -0.92 0.00 0.00 175.35 175.31 1ure s PHE 93 N -1.81 -0.77 0.22 3.18 0.08 0.11 -2.17 117.98 116.82 1ure s PHE 93 Ca 0.38 1.37 -0.05 0.00 0.12 0.00 0.00 56.93 58.74 1ure s PHE 93 Cb -0.11 0.23 -0.06 0.00 -0.57 0.00 0.00 43.02 42.51 1ure s PHE 93 CO 0.29 -0.51 0.47 0.15 -0.10 0.00 0.00 175.22 175.52 1ure s LYS 94 N 2.59 3.64 -0.19 0.44 1.02 0.24 -0.21 119.74 127.27 1ure s LYS 94 Ca 0.01 -0.03 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 1ure s LYS 94 Cb -0.13 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1ure s LYS 94 CO -0.13 0.34 -0.12 1.03 -0.92 0.00 0.00 175.35 175.55 1ure s ARG 95 N -3.09 3.22 0.51 1.68 0.52 -1.08 0.13 118.95 120.83 1ure s ARG 95 Ca 0.43 -0.72 0.21 0.00 -0.52 0.00 0.00 55.73 55.13 1ure s ARG 95 Cb -0.11 -2.76 1.33 0.00 0.52 0.00 0.00 34.95 33.92 1ure s ARG 95 CO 0.26 -0.13 2.09 -0.39 0.02 0.00 0.00 175.30 177.16 1ure h VAL 96 N 5.76 0.85 0.00 3.52 -1.51 -1.91 0.82 116.25 123.77 1ure h VAL 96 Ca -0.40 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1ure h VAL 96 Cb 1.16 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1ure h VAL 96 CO 0.60 0.10 0.00 0.47 -1.23 0.00 0.00 177.57 177.51 1ure n ASP 97 N -4.10 0.02 -0.13 4.19 9.92 -1.26 -3.89 116.55 121.29 1ure n ASP 97 Ca -0.03 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1ure n ASP 97 Cb 0.18 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1ure n ASN 98 N -1.53 0.00 -1.58 -2.24 2.04 -0.85 -4.99 115.26 106.12 1ure n ASN 98 Ca 0.00 -0.51 -0.16 0.00 -0.44 0.00 0.00 54.58 53.48 1ure n ASN 98 Cb 0.03 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.22 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ure n GLY 99 N 0.00 1.27 0.34 4.83 0.00 0.28 -4.94 105.19 106.96 1ure n GLY 99 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.15 -0.30 -4.17 1.61 5.02 -1.18 -4.78 118.16 112.20 1ure n LYS 100 Ca -0.16 -0.18 -0.11 0.00 -2.02 0.00 0.00 58.31 55.84 1ure n LYS 100 Cb 0.54 -0.13 -0.10 0.00 -0.02 0.00 0.00 35.03 35.32 1ure n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ure s GLU 101 N -3.25 0.83 -0.01 1.97 2.12 -1.26 -2.64 118.70 116.46 1ure s GLU 101 Ca 0.07 -1.32 -0.10 0.00 0.36 0.00 0.00 54.97 53.98 1ure s GLU 101 Cb -0.00 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.18 1ure s GLU 101 CO 0.05 -0.02 0.19 -1.17 -0.54 0.00 0.00 175.26 173.77 1ure s LEU 102 N -3.01 1.33 0.10 2.70 2.96 0.71 -4.51 118.68 118.95 1ure s LEU 102 Ca 0.11 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1ure s LEU 102 Cb 0.05 0.85 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 1ure s LEU 102 CO -0.05 -0.38 0.11 -0.51 -1.32 0.00 0.00 176.35 174.20 1ure s ILE 103 N -1.31 0.14 -0.09 6.68 -1.16 0.24 0.10 121.20 125.80 1ure s ILE 103 Ca -0.14 -1.58 -0.13 0.00 -0.51 0.00 0.00 60.65 58.29 1ure s ILE 103 Cb -0.07 -1.64 0.03 0.00 0.61 0.00 0.00 42.46 41.39 1ure s ILE 103 CO 0.02 -0.66 0.34 0.00 -2.81 0.00 0.00 174.94 171.83 1ure s ALA 104 N -3.94 -0.84 -0.27 1.50 0.00 0.36 0.34 121.76 118.92 1ure s ALA 104 Ca 0.12 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1ure s ALA 104 Cb 0.06 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.92 1ure s ALA 104 CO -0.06 -0.20 0.01 0.54 0.00 0.00 0.00 175.76 176.05 1ure s VAL 105 N -0.36 1.50 -0.87 0.00 0.11 -1.13 -1.10 120.40 118.56 1ure s VAL 105 Ca -0.05 -1.48 -0.25 0.00 -2.93 0.00 0.00 61.98 57.27 1ure s VAL 105 Cb -0.03 -1.93 -0.07 0.00 -1.53 0.00 0.00 36.38 32.82 1ure s VAL 105 CO 0.02 -0.35 2.04 -0.13 -3.33 0.00 0.00 175.10 173.35 1ure s ARG 106 N 1.36 2.36 -1.28 1.54 0.52 0.26 -2.67 118.95 121.03 1ure s ARG 106 Ca 0.02 -0.10 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 1ure s ARG 106 Cb -0.18 -4.99 0.11 0.00 0.52 0.00 0.00 34.95 30.40 1ure s ARG 106 CO -0.11 -3.58 1.69 -1.91 0.02 0.00 0.00 175.30 171.41 1ure n GLU 107 N 8.86 3.25 -1.98 3.54 0.00 0.31 -2.73 120.64 131.88 1ure n GLU 107 Ca 0.41 -3.42 -0.39 0.00 0.00 0.00 0.00 57.16 53.76 1ure n GLU 107 Cb 0.46 -3.30 -0.03 0.00 0.00 0.00 0.00 31.44 28.57 1ure n GLU 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1ure s ILE 108 N 3.05 3.33 0.37 6.31 -1.09 -1.26 -3.43 121.20 128.49 1ure s ILE 108 Ca 0.49 0.22 0.13 0.00 -2.23 0.00 0.00 60.65 59.26 1ure s ILE 108 Cb 0.03 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.21 1ure s ILE 108 CO 0.04 -0.75 1.84 0.77 -1.23 0.00 0.00 174.94 175.61 1ure h SER 109 N 15.19 0.00 0.00 3.58 4.64 -1.63 -3.47 113.55 131.86 1ure h SER 109 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ure h SER 109 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ure h SER 109 CO 1.19 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 1ure n GLY 110 N -0.49 0.11 0.97 -0.77 0.00 -1.26 -4.90 105.19 98.86 1ure n GLY 110 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 2.95 -3.82 1.61 5.03 -1.26 -4.78 115.26 114.99 1ure n ASN 111 Ca 0.00 -1.92 -0.25 0.00 0.87 0.00 0.00 54.58 53.28 1ure n ASN 111 Cb 0.00 -0.14 -0.17 0.00 -1.02 0.00 0.00 39.78 38.44 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1ure s GLU 112 N -1.71 0.95 -0.73 3.52 2.02 -1.26 -3.59 118.70 117.89 1ure s GLU 112 Ca 0.35 -0.10 -0.16 0.00 0.02 0.00 0.00 54.97 55.08 1ure s GLU 112 Cb 0.21 -1.34 0.16 0.00 0.10 0.00 0.00 34.13 33.26 1ure s GLU 112 CO 0.31 -0.33 0.75 -1.17 0.02 0.00 0.00 175.26 174.84 1ure s LEU 113 N 1.86 6.10 0.11 1.80 2.96 -1.13 -1.52 118.68 128.85 1ure s LEU 113 Ca 0.04 -2.14 -0.14 0.00 -0.22 0.00 0.00 54.13 51.67 1ure s LEU 113 Cb -0.13 -2.26 -0.07 0.00 0.50 0.00 0.00 46.19 44.24 1ure s LEU 113 CO -0.07 -0.82 0.51 -0.63 -1.32 0.00 0.00 176.35 174.02 1ure s ILE 114 N 1.38 4.90 -0.22 6.68 1.01 -1.22 -2.69 121.20 131.04 1ure s ILE 114 Ca 0.16 0.81 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 1ure s ILE 114 Cb -0.16 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1ure s ILE 114 CO -0.03 0.33 0.03 -1.10 0.00 0.00 0.00 174.94 174.17 1ure s GLN 115 N -1.75 0.81 1.05 2.79 -0.21 -0.50 0.11 119.66 121.96 1ure s GLN 115 Ca 0.34 -0.62 -0.15 0.00 0.02 0.00 0.00 55.36 54.94 1ure s GLN 115 Cb -0.16 -2.15 0.22 0.00 1.00 0.00 0.00 33.01 31.92 1ure s GLN 115 CO 0.18 -0.70 1.14 0.95 -2.12 0.00 0.00 175.29 174.74 1ure s THR 116 N 1.75 1.85 -0.30 -0.19 -4.23 -1.09 -1.89 115.64 111.54 1ure s THR 116 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1ure s THR 116 Cb -0.17 -2.62 0.17 0.00 1.34 0.00 0.00 72.50 71.22 1ure s THR 116 CO -0.11 0.00 0.72 -0.31 -0.54 0.00 0.00 174.62 174.38 1ure s TYR 117 N -3.17 -1.29 -0.12 3.99 2.02 -0.91 -2.83 117.35 115.04 1ure s TYR 117 Ca 0.68 1.71 0.01 0.00 -0.37 0.00 0.00 57.07 59.10 1ure s TYR 117 Cb -0.13 0.58 0.02 0.00 -0.40 0.00 0.00 41.96 42.04 1ure s TYR 117 CO 0.55 -0.68 -0.12 0.99 -1.57 0.00 0.00 175.55 174.72 1ure s THR 118 N 2.83 1.35 -0.14 -0.71 2.01 0.15 -1.89 115.64 119.25 1ure s THR 118 Ca 0.07 -0.52 0.16 0.00 0.31 0.00 0.00 61.69 61.71 1ure s THR 118 Cb -0.12 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1ure s THR 118 CO -0.19 0.42 1.10 0.22 -0.69 0.00 0.00 174.62 175.48 1ure h TYR 119 N 7.83 0.00 0.00 4.92 5.03 -1.83 0.69 116.97 133.61 1ure h TYR 119 Ca -0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.98 1ure h TYR 119 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.43 1ure h TYR 119 CO 0.48 0.52 0.00 0.39 -1.32 0.00 0.00 178.16 178.23 1ure n GLU 120 N -3.02 0.00 -1.05 1.82 1.02 -1.26 -4.28 120.64 113.87 1ure n GLU 120 Ca -0.04 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1ure n GLU 120 Cb 0.78 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.22 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ure n GLY 121 N -1.22 0.83 2.73 0.62 0.00 -1.26 -5.01 105.19 101.88 1ure n GLY 121 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.04 0.74 0.80 1.61 1.01 -1.26 -5.13 120.40 118.13 1ure s VAL 122 Ca 0.19 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1ure s VAL 122 Cb 0.22 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1ure s VAL 122 CO -0.09 -0.54 1.11 -1.61 0.00 0.00 0.00 175.10 173.96 1ure s GLU 123 N 1.71 2.06 -0.29 2.72 2.02 -1.25 -4.25 118.70 121.41 1ure s GLU 123 Ca 0.06 0.54 0.04 0.00 0.02 0.00 0.00 54.97 55.64 1ure s GLU 123 Cb -0.17 -1.92 0.20 0.00 0.10 0.00 0.00 34.13 32.33 1ure s GLU 123 CO -0.21 -1.61 0.62 0.00 0.02 0.00 0.00 175.26 174.07 1ure s ALA 124 N -3.22 -2.49 0.37 5.21 0.00 -0.79 -4.48 121.76 116.36 1ure s ALA 124 Ca 0.61 1.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.49 1ure s ALA 124 Cb -0.14 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.37 1ure s ALA 124 CO 0.53 -1.79 0.99 0.15 0.00 0.00 0.00 175.76 175.65 1ure s LYS 125 N 2.84 4.34 -0.48 0.00 3.01 0.43 -2.14 119.74 127.74 1ure s LYS 125 Ca 0.12 1.37 0.03 0.00 -1.01 0.00 0.00 55.97 56.49 1ure s LYS 125 Cb -0.10 -2.58 0.16 0.00 -1.01 0.00 0.00 37.83 34.30 1ure s LYS 125 CO -0.25 0.05 0.34 1.03 0.51 0.00 0.00 175.35 177.03 1ure s ARG 126 N -2.44 1.32 -0.56 1.68 0.52 -0.79 0.33 118.95 119.01 1ure s ARG 126 Ca 0.55 -2.31 -0.28 0.00 -0.52 0.00 0.00 55.73 53.18 1ure s ARG 126 Cb -0.18 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1ure s ARG 126 CO 0.24 -1.30 1.55 0.42 0.02 0.00 0.00 175.30 176.22 1ure s ILE 127 N -0.14 3.65 -0.01 1.52 -1.09 -1.26 -1.41 121.20 122.45 1ure s ILE 127 Ca 0.26 0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 59.09 1ure s ILE 127 Cb -0.06 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 1ure s ILE 127 CO -0.13 -1.07 0.35 -0.36 -1.23 0.00 0.00 174.94 172.50 1ure s PHE 128 N 6.81 3.68 -1.79 3.97 0.08 -1.09 -1.23 117.98 128.41 1ure s PHE 128 Ca 0.58 0.85 0.20 0.00 0.12 0.00 0.00 56.93 58.68 1ure s PHE 128 Cb -0.12 -2.19 0.53 0.00 -0.57 0.00 0.00 43.02 40.67 1ure s PHE 128 CO 0.24 0.65 1.44 1.63 -0.10 0.00 0.00 175.22 179.08 1ure n LYS 129 N 1.70 2.69 -2.05 0.44 4.76 -1.26 -2.84 118.16 121.60 1ure n LYS 129 Ca -0.14 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 1ure n LYS 129 Cb 0.53 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 1.35 -4.18 -0.08 1.97 4.81 -1.24 -4.77 118.16 116.03 1ure n LYS 130 Ca 0.21 3.13 0.00 0.00 -0.87 0.00 0.00 58.31 60.77 1ure n LYS 130 Cb 0.57 -3.85 0.00 0.00 0.02 0.00 0.00 35.03 31.77 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96