#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure s PHE 2 N 0.00 1.69 -0.42 0.00 -0.12 -1.26 -4.99 117.98 112.89 1ure s PHE 2 Ca 0.00 -2.45 0.07 0.00 -0.05 0.00 0.00 56.93 54.50 1ure s PHE 2 Cb 0.00 -1.45 0.18 0.00 -0.63 0.00 0.00 43.02 41.12 1ure s PHE 2 CO 0.00 -0.76 0.58 0.34 -0.05 0.00 0.00 175.22 175.33 1ure s ASP 3 N -0.04 -0.88 0.00 1.98 2.15 -1.26 -4.46 116.67 114.16 1ure s ASP 3 Ca 0.26 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1ure s ASP 3 Cb -0.07 1.60 0.00 0.00 -0.30 0.00 0.00 42.92 44.15 1ure s ASP 3 CO -0.13 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1ure n GLY 4 N 4.13 -0.53 3.68 2.66 0.00 -0.99 -4.99 105.19 109.15 1ure n GLY 4 Ca 0.13 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.29 2.00 -0.06 2.61 -1.32 -1.26 0.14 115.64 117.47 1ure s THR 5 Ca 0.00 -1.89 -0.18 0.00 -1.21 0.00 0.00 61.69 58.41 1ure s THR 5 Cb 0.00 -2.89 0.04 0.00 -1.51 0.00 0.00 72.50 68.14 1ure s THR 5 CO 0.00 0.00 0.41 0.26 -2.21 0.00 0.00 174.62 173.08 1ure s TRP 6 N -2.69 -0.34 -0.04 9.09 0.52 0.34 -1.90 118.94 123.92 1ure s TRP 6 Ca 0.34 0.64 -0.02 0.00 0.02 0.00 0.00 56.10 57.09 1ure s TRP 6 Cb 0.07 0.17 0.03 0.00 -1.15 0.00 0.00 33.47 32.59 1ure s TRP 6 CO 0.18 -0.39 0.05 0.21 0.02 0.00 0.00 176.95 177.02 1ure s LYS 7 N -0.93 -0.01 0.30 4.98 2.20 -1.26 0.14 119.74 125.15 1ure s LYS 7 Ca -0.10 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.54 1ure s LYS 7 Cb -0.04 -0.49 -0.10 0.00 -1.51 0.00 0.00 37.83 35.69 1ure s LYS 7 CO 0.04 -0.29 1.26 0.54 -0.36 0.00 0.00 175.35 176.54 1ure s VAL 8 N 1.92 2.96 0.00 4.02 0.11 -0.86 -1.64 120.40 126.90 1ure s VAL 8 Ca 0.02 0.94 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 1ure s VAL 8 Cb -0.12 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1ure s VAL 8 CO -0.03 0.21 0.00 -0.67 -3.33 0.00 0.00 175.10 171.28 1ure n ASP 9 N 1.15 0.68 -4.15 3.54 -0.08 -1.03 -4.75 116.55 111.90 1ure n ASP 9 Ca 0.01 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.08 1ure n ASP 9 Cb 0.43 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.75 1ure n ASP 9 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1ure s ARG 10 N -1.85 1.02 0.05 -0.67 3.52 -1.02 -5.03 118.95 114.97 1ure s ARG 10 Ca 0.00 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 1ure s ARG 10 Cb 0.00 -1.04 -0.00 0.00 -1.56 0.00 0.00 34.95 32.35 1ure s ARG 10 CO 0.00 0.26 0.02 0.09 -0.81 0.00 0.00 175.30 174.86 1ure n ASN 11 N 2.00 0.86 0.00 -2.12 3.02 -1.26 0.16 115.26 117.93 1ure n ASN 11 Ca -0.17 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1ure n ASN 11 Cb 0.55 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.10 0.00 -0.39 3.52 2.13 0.30 -4.84 120.64 121.26 1ure n GLU 12 Ca -0.01 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.86 1ure n GLU 12 Cb 0.07 0.00 0.20 0.00 0.27 0.00 0.00 31.44 31.99 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 -0.43 3.08 0.31 4.31 5.15 -1.26 -4.36 115.26 122.06 1ure n ASN 13 Ca 0.00 -2.34 0.19 0.00 -0.60 0.00 0.00 54.58 51.84 1ure n ASN 13 Cb 0.00 -0.49 0.97 0.00 -0.53 0.00 0.00 39.78 39.72 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 2.20 0.00 0.01 1.20 5.03 -1.81 -1.02 116.97 122.58 1ure h TYR 14 Ca 0.00 0.00 -0.24 0.00 2.58 0.00 0.00 58.73 61.07 1ure h TYR 14 Cb 1.05 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.34 1ure h TYR 14 CO 0.48 0.02 -1.00 1.49 -1.32 0.00 0.00 178.16 177.84 1ure h GLU 15 N 0.00 0.48 0.03 1.82 4.81 -1.94 -3.06 114.58 116.73 1ure h GLU 15 Ca -0.00 -0.54 -0.22 0.00 -0.13 0.00 0.00 59.36 58.47 1ure h GLU 15 Cb 0.21 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1ure h GLU 15 CO 0.00 1.18 -0.99 -0.22 -0.73 0.00 0.00 179.01 178.25 1ure h LYS 16 N 0.26 0.25 0.00 1.92 1.63 -1.80 -3.05 116.57 115.78 1ure h LYS 16 Ca -0.10 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 1ure h LYS 16 Cb 1.64 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1ure h LYS 16 CO 0.18 1.06 -0.07 0.35 -3.45 0.00 0.00 179.45 177.51 1ure h PHE 17 N 0.12 0.00 0.03 1.91 3.04 -1.24 -1.41 116.94 119.39 1ure h PHE 17 Ca -0.07 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.65 1ure h PHE 17 Cb 1.66 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.17 1ure h PHE 17 CO 0.04 0.07 -1.00 0.52 -2.02 0.00 0.00 178.31 175.92 1ure h MET 18 N 0.00 0.35 0.00 1.11 2.86 -1.50 -1.37 114.93 116.37 1ure h MET 18 Ca -0.00 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 57.11 1ure h MET 18 Cb 0.57 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1ure h MET 18 CO 0.01 1.11 -0.52 1.49 1.06 0.00 0.00 176.91 180.06 1ure h GLU 19 N 0.18 0.00 0.00 1.72 4.81 -1.28 0.88 114.58 120.88 1ure h GLU 19 Ca -0.09 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 1ure h GLU 19 Cb 1.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1ure h GLU 19 CO 0.17 0.52 -0.78 -0.22 -0.73 0.00 0.00 179.01 177.96 1ure h LYS 20 N 0.00 0.00 -0.02 1.92 1.63 -1.20 -3.17 116.57 115.72 1ure h LYS 20 Ca -0.01 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1ure h LYS 20 Cb 0.94 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1ure h LYS 20 CO 0.07 0.77 -0.57 0.52 -3.45 0.00 0.00 179.45 176.79 1ure h MET 21 N 0.00 0.08 0.00 1.90 2.86 -1.00 -3.47 114.93 115.30 1ure h MET 21 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ure h MET 21 Cb 1.60 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1ure h MET 21 CO 0.10 0.63 0.00 0.41 1.06 0.00 0.00 176.91 179.11 1ure n GLY 22 N 0.15 1.75 0.00 8.32 0.00 -0.91 -4.97 105.19 109.52 1ure n GLY 22 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ure n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ure n ILE 23 N -0.36 0.00 -1.07 -0.61 2.08 0.25 -5.00 119.36 114.66 1ure n ILE 23 Ca 0.00 0.51 0.03 0.00 0.56 0.00 0.00 62.75 63.85 1ure n ILE 23 Cb 0.00 -1.39 -0.01 0.00 -0.75 0.00 0.00 39.64 37.49 1ure n ILE 23 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1ure n ASN 24 N -1.79 -5.78 0.00 4.38 4.13 -1.26 -4.79 115.26 110.15 1ure n ASN 24 Ca 0.00 1.24 0.00 0.00 1.68 0.00 0.00 54.58 57.50 1ure n ASN 24 Cb 0.00 -3.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.97 1ure n ASN 24 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1ure n VAL 25 N -2.57 0.00 -0.10 2.41 0.31 -1.26 -3.32 118.33 113.80 1ure n VAL 25 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1ure n VAL 25 Cb 0.37 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.46 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1ure h VAL 26 N 0.00 1.24 0.00 2.52 -1.51 -2.01 -3.19 116.25 113.31 1ure h VAL 26 Ca 0.00 -1.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.43 1ure h VAL 26 Cb 0.00 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1ure h VAL 26 CO 0.00 0.36 -0.03 0.11 -1.23 0.00 0.00 177.57 176.78 1ure h LYS 27 N 0.71 0.00 0.02 5.19 1.57 -1.86 0.34 116.57 122.54 1ure h LYS 27 Ca 0.14 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 1ure h LYS 27 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ure h LYS 27 CO 0.02 0.03 -0.95 0.00 -0.57 0.00 0.00 179.45 177.98 1ure h ARG 28 N 0.00 0.08 -0.12 3.15 3.08 -1.68 0.11 114.38 119.00 1ure h ARG 28 Ca -0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1ure h ARG 28 Cb 0.07 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ure h ARG 28 CO 0.00 0.97 -0.23 -0.22 -1.07 0.00 0.00 179.97 179.42 1ure h LYS 29 N 0.03 0.37 0.00 0.04 1.63 -1.44 0.65 116.57 117.86 1ure h LYS 29 Ca -0.03 -0.24 -0.17 0.00 -0.85 0.00 0.00 60.65 59.36 1ure h LYS 29 Cb 1.65 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.28 1ure h LYS 29 CO 0.13 0.83 -0.83 -0.07 -3.45 0.00 0.00 179.45 176.07 1ure h LEU 30 N -0.05 0.00 -0.45 5.20 3.38 -1.03 -2.95 115.31 119.40 1ure h LEU 30 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1ure h LEU 30 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ure h LEU 30 CO 0.05 0.83 -0.63 1.23 0.09 0.00 0.00 178.44 180.01 1ure h GLY 31 N 2.77 0.57 2.00 0.83 0.00 -0.75 -2.67 103.07 105.83 1ure h GLY 31 Ca -0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1ure h GLY 31 CO 0.11 0.64 -0.22 0.00 0.00 0.00 0.00 176.54 177.07 1ure h ALA 32 N 0.93 0.92 -1.21 3.60 0.00 -0.86 -3.30 119.26 119.34 1ure h ALA 32 Ca -0.01 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.13 1ure h ALA 32 Cb 1.19 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 18.52 1ure h ALA 32 CO 0.12 0.28 -0.78 1.58 0.00 0.00 0.00 179.25 180.44 1ure n HIS 33 N -3.24 3.09 0.29 0.00 -0.00 -1.12 -4.89 115.22 109.36 1ure n HIS 33 Ca 0.02 -2.77 0.16 0.00 -0.00 0.00 0.00 57.72 55.12 1ure n HIS 33 Cb 0.52 -0.18 0.57 0.00 -0.00 0.00 0.00 29.99 30.90 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 2.44 0.00 -4.18 0.26 2.03 -1.56 -3.47 116.42 111.95 1ure h ASP 34 Ca 0.31 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.33 1ure h ASP 34 Cb 1.16 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 39.74 1ure h ASP 34 CO 0.80 0.00 -0.47 -3.20 -1.03 0.00 0.00 179.24 175.34 1ure n ASN 35 N -2.96 -5.04 -4.76 4.15 2.85 -1.26 -2.10 115.26 106.13 1ure n ASN 35 Ca 0.01 -0.34 -0.41 0.00 -0.11 0.00 0.00 54.58 53.73 1ure n ASN 35 Cb 0.34 -3.69 -0.01 0.00 1.24 0.00 0.00 39.78 37.66 1ure n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ure s LEU 36 N -5.33 4.34 -0.28 1.20 0.20 -1.25 -4.62 118.68 112.94 1ure s LEU 36 Ca 0.37 2.96 -0.04 0.00 0.69 0.00 0.00 54.13 58.11 1ure s LEU 36 Cb -0.16 -3.65 0.10 0.00 -0.43 0.00 0.00 46.19 42.04 1ure s LEU 36 CO 0.46 -0.86 0.12 -0.75 -0.29 0.00 0.00 176.35 175.03 1ure s LYS 37 N -1.19 0.23 -0.31 1.98 2.20 -1.22 -2.03 119.74 119.40 1ure s LYS 37 Ca 0.58 -0.55 -0.18 0.00 -0.36 0.00 0.00 55.97 55.46 1ure s LYS 37 Cb -0.46 -1.29 -0.01 0.00 -1.51 0.00 0.00 37.83 34.55 1ure s LYS 37 CO 0.54 -0.99 0.51 -1.17 -0.36 0.00 0.00 175.35 173.89 1ure s LEU 38 N 2.06 4.20 -0.49 5.43 2.96 0.36 -2.04 118.68 131.17 1ure s LEU 38 Ca 0.08 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.10 1ure s LEU 38 Cb -0.16 -2.62 0.12 0.00 0.50 0.00 0.00 46.19 44.03 1ure s LEU 38 CO -0.34 -0.40 0.39 -0.89 -1.32 0.00 0.00 176.35 173.80 1ure s THR 39 N 2.37 4.56 0.52 3.68 2.01 -0.89 0.13 115.64 128.02 1ure s THR 39 Ca 0.20 -1.65 -0.20 0.00 0.31 0.00 0.00 61.69 60.35 1ure s THR 39 Cb -0.15 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 1ure s THR 39 CO 0.12 -0.78 1.10 -0.63 -0.69 0.00 0.00 174.62 173.74 1ure s ILE 40 N 1.45 3.35 -0.39 1.82 1.01 0.38 -0.21 121.20 128.61 1ure s ILE 40 Ca 0.05 0.85 0.10 0.00 0.00 0.00 0.00 60.65 61.64 1ure s ILE 40 Cb -0.27 -3.34 0.31 0.00 0.01 0.00 0.00 42.46 39.17 1ure s ILE 40 CO 0.01 -0.17 0.71 0.41 0.00 0.00 0.00 174.94 175.89 1ure n THR 41 N -1.17 -0.30 -1.78 2.92 -1.04 -1.25 -2.36 114.28 109.30 1ure n THR 41 Ca 0.11 -4.00 -0.42 0.00 -2.04 0.00 0.00 64.05 57.70 1ure n THR 41 Cb 0.51 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 1ure n THR 41 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ure s GLN 42 N -1.67 4.14 -0.26 -2.82 -0.44 -1.25 -3.16 119.66 114.19 1ure s GLN 42 Ca 0.37 2.47 -0.02 0.00 -2.50 0.00 0.00 55.36 55.68 1ure s GLN 42 Cb 0.29 -4.11 0.15 0.00 -1.64 0.00 0.00 33.01 27.69 1ure s GLN 42 CO -0.09 -0.94 0.43 -1.21 0.50 0.00 0.00 175.29 173.98 1ure s GLU 43 N 4.36 0.41 -1.61 1.67 2.02 0.13 -4.84 118.70 120.83 1ure s GLU 43 Ca 0.84 0.59 -0.01 0.00 0.02 0.00 0.00 54.97 56.41 1ure s GLU 43 Cb -0.40 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.62 1ure s GLU 43 CO 0.38 -0.69 0.19 0.41 0.02 0.00 0.00 175.26 175.57 1ure n GLY 44 N 5.38 -0.44 2.11 -1.39 0.00 -1.26 -0.19 105.19 109.39 1ure n GLY 44 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.92 0.00 -4.67 1.61 5.03 -1.26 -5.00 115.26 109.05 1ure n ASN 45 Ca -0.19 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.83 1ure n ASN 45 Cb 0.66 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.39 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1ure s LYS 46 N -0.38 4.29 -0.46 3.52 2.20 0.73 -3.77 119.74 125.87 1ure s LYS 46 Ca 0.00 1.36 -0.14 0.00 -0.36 0.00 0.00 55.97 56.83 1ure s LYS 46 Cb 0.00 -3.62 0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1ure s LYS 46 CO 0.00 -0.56 0.36 -0.06 -0.36 0.00 0.00 175.35 174.73 1ure s PHE 47 N 2.95 3.27 -0.98 4.03 0.08 -1.25 0.17 117.98 126.25 1ure s PHE 47 Ca 0.45 -1.10 -0.03 0.00 0.12 0.00 0.00 56.93 56.37 1ure s PHE 47 Cb -0.16 -3.14 0.28 0.00 -0.57 0.00 0.00 43.02 39.44 1ure s PHE 47 CO 0.08 -0.82 1.19 -2.37 -0.10 0.00 0.00 175.22 173.20 1ure n THR 48 N 5.13 4.33 -1.53 0.64 5.66 -1.19 -1.79 114.28 125.53 1ure n THR 48 Ca -0.12 -5.60 -0.26 0.00 -3.05 0.00 0.00 64.05 55.02 1ure n THR 48 Cb 0.43 -2.21 -0.11 0.00 -1.55 0.00 0.00 70.33 66.90 1ure n THR 48 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1ure n VAL 49 N 1.59 -0.02 -1.58 1.08 3.14 -1.14 -3.96 118.33 117.44 1ure n VAL 49 Ca 0.26 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.80 1ure n VAL 49 Cb 0.36 -1.55 0.07 0.00 -1.06 0.00 0.00 33.84 31.67 1ure n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ure s LYS 50 N 8.36 2.40 -0.35 1.45 2.20 0.71 -1.14 119.74 133.36 1ure s LYS 50 Ca 1.10 1.67 0.03 0.00 -0.36 0.00 0.00 55.97 58.41 1ure s LYS 50 Cb -0.49 -1.87 0.16 0.00 -1.51 0.00 0.00 37.83 34.12 1ure s LYS 50 CO 0.30 -1.62 0.39 -2.00 -0.36 0.00 0.00 175.35 172.06 1ure s GLU 51 N -3.89 0.58 -1.24 4.03 2.56 -1.24 -2.09 118.70 117.42 1ure s GLU 51 Ca 0.73 -0.59 -0.13 0.00 0.00 0.00 0.00 54.97 54.98 1ure s GLU 51 Cb -0.27 -0.59 0.15 0.00 2.00 0.00 0.00 34.13 35.42 1ure s GLU 51 CO 0.43 -1.15 1.58 -1.13 -0.56 0.00 0.00 175.26 174.43 1ure n SER 52 N 4.55 5.12 -3.80 -1.70 3.41 -0.86 -3.53 113.62 116.80 1ure n SER 52 Ca 0.08 -2.99 -0.15 0.00 -0.26 0.00 0.00 58.87 55.55 1ure n SER 52 Cb 0.47 -1.58 0.07 0.00 -0.26 0.00 0.00 64.21 62.91 1ure n SER 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ure n SER 53 N 5.68 1.09 0.29 4.04 3.41 -0.91 -3.44 113.62 123.78 1ure n SER 53 Ca 0.39 -1.86 0.19 0.00 -0.26 0.00 0.00 58.87 57.34 1ure n SER 53 Cb 0.42 -0.38 0.91 0.00 -0.26 0.00 0.00 64.21 64.89 1ure n SER 53 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ure h ASN 54 N -0.24 0.00 0.00 4.04 -0.73 -1.73 -3.28 115.58 113.64 1ure h ASN 54 Ca -0.21 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 57.88 1ure h ASN 54 Cb 0.83 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 1ure h ASN 54 CO 0.25 0.00 -0.77 0.49 -0.37 0.00 0.00 177.43 177.02 1ure n PHE 55 N -2.99 0.97 -3.88 0.67 3.01 -1.26 -5.06 117.46 108.91 1ure n PHE 55 Ca -0.01 0.42 -0.08 0.00 1.01 0.00 0.00 57.45 58.79 1ure n PHE 55 Cb 0.18 -0.89 -0.04 0.00 -0.01 0.00 0.00 39.48 38.73 1ure n PHE 55 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1ure s ARG 56 N -2.28 1.59 -0.91 -1.08 3.52 -1.24 -5.03 118.95 113.52 1ure s ARG 56 Ca -0.20 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 1ure s ARG 56 Cb 0.03 0.53 0.32 0.00 -1.56 0.00 0.00 34.95 34.27 1ure s ARG 56 CO 0.35 -0.69 1.46 0.09 -0.81 0.00 0.00 175.30 175.70 1ure n ASN 57 N -0.40 6.20 -4.41 -2.12 4.13 -1.25 -2.14 115.26 115.27 1ure n ASN 57 Ca -0.05 -3.61 -0.44 0.00 1.68 0.00 0.00 54.58 52.16 1ure n ASN 57 Cb 0.61 -1.01 -0.04 0.00 -1.54 0.00 0.00 39.78 37.80 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1ure s ILE 58 N -3.86 4.68 0.11 2.41 2.07 -1.23 -4.89 121.20 120.49 1ure s ILE 58 Ca 0.40 -0.96 -0.31 0.00 -1.41 0.00 0.00 60.65 58.36 1ure s ILE 58 Cb 0.18 -4.60 -0.09 0.00 0.13 0.00 0.00 42.46 38.07 1ure s ILE 58 CO -0.07 -1.30 1.71 -1.81 -1.91 0.00 0.00 174.94 171.57 1ure s ASP 59 N 3.58 6.52 -0.87 4.50 1.01 -1.26 -3.59 116.67 126.56 1ure s ASP 59 Ca 0.19 2.62 -0.07 0.00 0.71 0.00 0.00 52.55 55.99 1ure s ASP 59 Cb -0.18 -2.57 0.22 0.00 1.01 0.00 0.00 42.92 41.40 1ure s ASP 59 CO 0.04 -0.93 0.79 -0.69 0.21 0.00 0.00 175.17 174.59 1ure s VAL 60 N 2.44 5.01 0.51 -1.27 1.01 -0.29 -4.92 120.40 122.88 1ure s VAL 60 Ca 0.76 -3.15 -0.19 0.00 0.00 0.00 0.00 61.98 59.40 1ure s VAL 60 Cb -0.43 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 31.78 1ure s VAL 60 CO 0.34 -1.05 1.05 0.68 0.00 0.00 0.00 175.10 176.11 1ure s VAL 61 N -0.61 3.74 -0.32 2.92 -7.23 -1.26 -2.89 120.40 114.76 1ure s VAL 61 Ca 0.23 1.04 -0.02 0.00 -1.81 0.00 0.00 61.98 61.42 1ure s VAL 61 Cb -0.12 -3.43 0.19 0.00 0.56 0.00 0.00 36.38 33.59 1ure s VAL 61 CO -0.08 -0.28 0.84 0.72 -0.31 0.00 0.00 175.10 175.99 1ure s PHE 62 N -2.05 -1.07 -0.52 2.82 -0.12 -0.74 -4.98 117.98 111.32 1ure s PHE 62 Ca 0.67 0.43 -0.26 0.00 -0.05 0.00 0.00 56.93 57.72 1ure s PHE 62 Cb -0.17 0.19 -0.08 0.00 -0.63 0.00 0.00 43.02 42.33 1ure s PHE 62 CO 0.23 -0.67 2.44 0.39 -0.05 0.00 0.00 175.22 177.57 1ure n GLU 63 N 4.72 0.97 -1.04 1.99 -0.58 -1.26 -3.82 120.64 121.62 1ure n GLU 63 Ca 0.08 -0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.52 1ure n GLU 63 Cb 0.58 -3.34 -0.10 0.00 -0.57 0.00 0.00 31.44 28.01 1ure n GLU 63 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1ure n LEU 64 N 15.68 0.20 0.00 -4.62 -0.00 -1.25 -0.37 117.00 126.65 1ure n LEU 64 Ca 0.39 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1ure n LEU 64 Cb 0.52 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1ure n LEU 64 CO 0.72 -0.50 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 1ure n GLY 65 N 4.51 1.42 3.01 1.47 0.00 0.74 -4.83 105.19 111.50 1ure n GLY 65 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.45 2.60 -0.66 1.61 0.31 0.50 -4.99 118.33 116.24 1ure n VAL 66 Ca 0.00 -5.06 -0.26 0.00 -0.01 0.00 0.00 64.34 59.00 1ure n VAL 66 Cb 0.00 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 30.59 1ure n VAL 66 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ure n ASP 67 N 2.09 0.45 -2.47 4.52 8.00 -1.26 -4.77 116.55 123.12 1ure n ASP 67 Ca 0.22 0.44 -0.10 0.00 0.71 0.00 0.00 54.79 56.06 1ure n ASP 67 Cb 0.36 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1ure n ASP 67 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ure n PHE 68 N 1.79 0.11 -4.66 1.24 3.01 -0.93 -4.91 117.46 113.11 1ure n PHE 68 Ca 0.14 -0.98 -0.23 0.00 1.01 0.00 0.00 57.45 57.39 1ure n PHE 68 Cb -0.02 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.27 1ure n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ure s ALA 69 N -2.40 1.21 -0.33 4.37 0.00 -1.26 -1.99 121.76 121.37 1ure s ALA 69 Ca 0.07 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 1ure s ALA 69 Cb 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 23.12 22.89 1ure s ALA 69 CO 0.05 0.26 0.17 -0.47 0.00 0.00 0.00 175.76 175.77 1ure s TYR 70 N -0.15 0.68 -0.26 0.00 5.04 -1.08 -4.93 117.35 116.63 1ure s TYR 70 Ca 0.02 -1.34 -0.29 0.00 -2.44 0.00 0.00 57.07 53.02 1ure s TYR 70 Cb -0.07 -1.01 -0.01 0.00 0.35 0.00 0.00 41.96 41.21 1ure s TYR 70 CO 0.00 -0.83 1.37 -1.12 -1.34 0.00 0.00 175.55 173.63 1ure s SER 71 N 1.53 6.65 0.91 4.32 0.01 -1.26 -2.65 113.70 123.20 1ure s SER 71 Ca 0.13 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1ure s SER 71 Cb -0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1ure s SER 71 CO -0.18 -1.07 0.00 0.18 0.41 0.00 0.00 173.24 172.58 1ure n LEU 72 N 7.65 0.00 0.05 2.44 4.77 -1.18 -4.81 117.00 125.93 1ure n LEU 72 Ca 0.15 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 1ure n LEU 72 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1ure n LEU 72 CO 0.62 -0.88 -0.40 0.00 -1.33 0.00 0.00 177.39 175.41 1ure h ALA 73 N -2.00 0.31 0.00 -1.18 0.00 -1.93 -3.37 119.26 111.10 1ure h ALA 73 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 54.91 53.72 1ure h ALA 73 Cb 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1ure h ALA 73 CO 0.00 1.18 -0.51 -3.47 0.00 0.00 0.00 179.25 176.44 1ure n ASP 74 N -3.43 0.13 0.00 0.00 2.03 -1.26 -4.88 116.55 109.14 1ure n ASP 74 Ca -0.18 -1.87 0.00 0.00 0.52 0.00 0.00 54.79 53.26 1ure n ASP 74 Cb 1.05 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 0.08 0.46 2.50 0.27 0.00 -1.26 -4.68 105.19 102.56 1ure n GLY 75 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.58 0.00 -0.60 2.61 -2.24 -1.26 -4.74 114.28 107.47 1ure n THR 76 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1ure n THR 76 Cb 0.00 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -3.06 0.00 -3.27 -0.78 4.71 -1.26 -3.12 120.64 113.86 1ure n GLU 77 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.92 1ure n GLU 77 Cb 0.39 -0.52 -0.08 0.00 -1.01 0.00 0.00 31.44 30.22 1ure n GLU 77 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ure n LEU 78 N 1.42 -0.77 -4.90 -4.62 7.94 -1.09 -4.12 117.00 110.87 1ure n LEU 78 Ca 0.11 -4.24 -0.28 0.00 -1.11 0.00 0.00 56.01 50.48 1ure n LEU 78 Cb -0.02 0.60 0.05 0.00 0.53 0.00 0.00 43.42 44.57 1ure n LEU 78 CO 0.31 1.91 0.67 -0.89 -1.11 0.00 0.00 177.39 178.28 1ure s THR 79 N -0.05 3.23 -5.00 1.96 2.01 0.11 -2.65 115.64 115.25 1ure s THR 79 Ca 0.33 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1ure s THR 79 Cb 0.06 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1ure s THR 79 CO -0.17 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 1ure n GLY 80 N -2.89 0.46 3.42 4.40 0.00 -0.84 0.13 105.19 109.87 1ure n GLY 80 Ca 0.06 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1ure n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 81 N -2.15 0.00 -0.02 2.61 -4.23 -0.36 -2.19 115.64 109.29 1ure s THR 81 Ca 0.00 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1ure s THR 81 Cb 0.00 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1ure s THR 81 CO 0.00 0.00 -0.15 0.26 -0.54 0.00 0.00 174.62 174.19 1ure s TRP 82 N -3.94 2.68 -0.08 3.99 0.52 -1.26 -1.12 118.94 119.73 1ure s TRP 82 Ca 0.30 -0.18 -0.09 0.00 0.02 0.00 0.00 56.10 56.16 1ure s TRP 82 Cb 0.02 -1.59 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 1ure s TRP 82 CO 0.12 0.21 0.24 -0.08 0.02 0.00 0.00 176.95 177.46 1ure s THR 83 N -0.80 0.01 -0.02 2.01 -1.32 -0.85 -0.19 115.64 114.48 1ure s THR 83 Ca 0.13 -0.08 -0.28 0.00 -1.21 0.00 0.00 61.69 60.24 1ure s THR 83 Cb -0.11 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 1ure s THR 83 CO 0.02 -0.05 0.91 -0.32 -2.21 0.00 0.00 174.62 172.98 1ure s MET 84 N -0.08 4.52 -0.49 7.08 1.75 -1.26 -1.30 119.30 129.52 1ure s MET 84 Ca -0.02 1.28 0.06 0.00 -1.25 0.00 0.00 55.69 55.77 1ure s MET 84 Cb -0.02 -3.46 0.39 0.00 2.84 0.00 0.00 34.83 34.57 1ure s MET 84 CO 0.01 -0.04 1.01 -0.85 -0.65 0.00 0.00 175.02 174.49 1ure n GLU 85 N 3.96 3.06 0.00 4.11 0.28 -0.71 -4.99 120.64 126.34 1ure n GLU 85 Ca 0.04 -4.51 0.00 0.00 -0.16 0.00 0.00 57.16 52.54 1ure n GLU 85 Cb 0.51 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.23 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ure n GLY 86 N -0.31 0.93 0.04 -1.84 0.00 -1.26 -4.22 105.19 98.54 1ure n GLY 86 Ca 0.33 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 45.14 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 1.26 0.13 -4.22 1.61 5.03 -1.26 -4.82 115.26 112.99 1ure n ASN 87 Ca 0.00 -1.95 -0.20 0.00 0.87 0.00 0.00 54.58 53.30 1ure n ASN 87 Cb 0.00 -0.02 -0.10 0.00 -1.02 0.00 0.00 39.78 38.65 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ure s LYS 88 N -1.97 1.62 0.18 3.52 3.01 -1.26 -4.66 119.74 120.18 1ure s LYS 88 Ca 0.04 -1.92 0.07 0.00 -1.01 0.00 0.00 55.97 53.15 1ure s LYS 88 Cb 0.02 -0.42 -0.04 0.00 -1.01 0.00 0.00 37.83 36.37 1ure s LYS 88 CO 0.03 -0.35 -0.14 -1.17 0.51 0.00 0.00 175.35 174.23 1ure s LEU 89 N -3.43 2.53 -0.07 3.17 2.96 -1.19 -1.74 118.68 120.90 1ure s LEU 89 Ca 0.34 -0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1ure s LEU 89 Cb 0.06 -0.61 0.04 0.00 0.50 0.00 0.00 46.19 46.19 1ure s LEU 89 CO 0.15 -0.19 0.14 0.68 -1.32 0.00 0.00 176.35 175.81 1ure s VAL 90 N -2.89 -0.19 -0.69 1.68 -7.23 -0.42 -2.64 120.40 108.03 1ure s VAL 90 Ca 0.19 0.32 -0.19 0.00 -1.81 0.00 0.00 61.98 60.49 1ure s VAL 90 Cb -0.01 -0.25 0.11 0.00 0.56 0.00 0.00 36.38 36.79 1ure s VAL 90 CO 0.05 0.13 0.85 -0.83 -0.31 0.00 0.00 175.10 174.99 1ure s GLY 91 N 1.98 1.77 -0.17 2.32 0.00 0.55 -2.00 107.32 111.77 1ure s GLY 91 Ca 0.00 -2.32 -0.17 0.00 0.00 0.00 0.00 44.72 42.23 1ure s GLY 91 CO -0.05 1.75 0.46 0.54 0.00 0.00 0.00 173.10 175.80 1ure s LYS 92 N 2.82 4.24 -0.22 2.90 1.02 -0.28 -0.72 119.74 129.51 1ure s LYS 92 Ca 0.18 0.36 -0.00 0.00 0.02 0.00 0.00 55.97 56.53 1ure s LYS 92 Cb -0.18 -3.50 0.06 0.00 -0.52 0.00 0.00 37.83 33.68 1ure s LYS 92 CO 0.03 0.01 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.38 1ure s PHE 93 N 1.13 2.02 -0.21 3.18 0.08 0.30 -1.22 117.98 123.25 1ure s PHE 93 Ca 0.23 -1.48 -0.08 0.00 0.12 0.00 0.00 56.93 55.72 1ure s PHE 93 Cb -0.15 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1ure s PHE 93 CO 0.09 -0.72 0.08 0.15 -0.10 0.00 0.00 175.22 174.72 1ure s LYS 94 N 1.52 3.92 0.52 0.44 1.02 0.34 0.47 119.74 127.97 1ure s LYS 94 Ca -0.04 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.46 1ure s LYS 94 Cb -0.18 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 1ure s LYS 94 CO -0.07 0.13 0.94 1.03 -0.92 0.00 0.00 175.35 176.47 1ure s ARG 95 N 0.78 3.79 -0.11 1.68 1.81 -1.26 0.05 118.95 125.69 1ure s ARG 95 Ca 0.04 0.75 -0.17 0.00 -1.72 0.00 0.00 55.73 54.64 1ure s ARG 95 Cb -0.13 -2.18 -0.14 0.00 -0.45 0.00 0.00 34.95 32.04 1ure s ARG 95 CO 0.02 -0.31 0.52 0.28 -0.68 0.00 0.00 175.30 175.13 1ure h VAL 96 N 0.55 0.95 0.00 3.52 2.07 -1.95 -2.52 116.25 118.87 1ure h VAL 96 Ca -0.46 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1ure h VAL 96 Cb 1.19 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1ure h VAL 96 CO 0.62 0.31 0.00 0.47 0.02 0.00 0.00 177.57 178.99 1ure n ASP 97 N -4.74 0.00 0.00 0.57 8.00 -1.26 -3.87 116.55 115.25 1ure n ASP 97 Ca -0.06 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1ure n ASP 97 Cb 0.26 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ure n ASN 98 N -1.47 0.00 -4.53 -2.24 6.94 -1.26 -5.02 115.26 107.67 1ure n ASN 98 Ca 0.03 -1.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.17 1ure n ASN 98 Cb 0.14 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.48 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ure n GLY 99 N 0.00 -0.38 0.00 4.83 0.00 -0.95 -4.93 105.19 103.76 1ure n GLY 99 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ure n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ure n LYS 100 N -4.09 0.00 0.00 1.61 4.76 -1.26 -4.87 118.16 114.31 1ure n LYS 100 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1ure n LYS 100 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1ure n LYS 100 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ure n GLU 101 N 0.00 0.00 -3.12 1.97 2.13 -1.26 -4.62 120.64 115.74 1ure n GLU 101 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 1ure n GLU 101 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1ure n GLU 101 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ure s LEU 102 N 0.00 4.10 0.24 4.31 1.43 0.18 -4.02 118.68 124.92 1ure s LEU 102 Ca 0.00 0.76 0.12 0.00 -1.03 0.00 0.00 54.13 53.98 1ure s LEU 102 Cb 0.00 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1ure s LEU 102 CO 0.00 -0.32 -0.22 -0.51 0.23 0.00 0.00 176.35 175.53 1ure s ILE 103 N 2.21 2.40 -0.02 -0.59 1.10 0.70 0.11 121.20 127.11 1ure s ILE 103 Ca 0.27 -2.24 -0.01 0.00 -0.51 0.00 0.00 60.65 58.15 1ure s ILE 103 Cb -0.16 -2.22 0.01 0.00 0.15 0.00 0.00 42.46 40.25 1ure s ILE 103 CO 0.09 -0.29 0.06 0.00 -2.11 0.00 0.00 174.94 172.69 1ure s ALA 104 N -2.16 -0.10 -0.28 1.50 0.00 0.10 -0.82 121.76 120.00 1ure s ALA 104 Ca 0.26 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1ure s ALA 104 Cb -0.06 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1ure s ALA 104 CO 0.13 -0.06 0.01 0.54 0.00 0.00 0.00 175.76 176.38 1ure s VAL 105 N 0.39 1.58 -0.83 0.00 0.11 -1.15 -0.33 120.40 120.17 1ure s VAL 105 Ca -0.03 -1.59 -0.25 0.00 -2.93 0.00 0.00 61.98 57.18 1ure s VAL 105 Cb -0.04 -2.02 -0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1ure s VAL 105 CO -0.01 -0.39 1.69 -0.13 -3.33 0.00 0.00 175.10 172.92 1ure s ARG 106 N 1.31 2.94 -0.99 1.54 0.52 -1.08 -3.21 118.95 119.97 1ure s ARG 106 Ca 0.03 -0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.86 1ure s ARG 106 Cb -0.18 -4.81 0.24 0.00 0.52 0.00 0.00 34.95 30.71 1ure s ARG 106 CO -0.12 -2.72 1.00 -2.00 0.02 0.00 0.00 175.30 171.48 1ure s GLU 107 N 6.30 3.91 -0.47 3.54 2.12 -0.15 -3.17 118.70 130.78 1ure s GLU 107 Ca 0.57 -2.77 -0.26 0.00 0.36 0.00 0.00 54.97 52.87 1ure s GLU 107 Cb -0.07 -4.57 -0.06 0.00 0.26 0.00 0.00 34.13 29.69 1ure s GLU 107 CO 0.05 -1.34 2.35 0.42 -0.54 0.00 0.00 175.26 176.20 1ure s ILE 108 N -0.21 3.03 -1.31 -3.70 1.01 -1.26 -3.10 121.20 115.66 1ure s ILE 108 Ca 0.27 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1ure s ILE 108 Cb -0.09 -3.08 0.15 0.00 0.01 0.00 0.00 42.46 39.44 1ure s ILE 108 CO -0.08 -0.08 1.94 -1.54 0.00 0.00 0.00 174.94 175.18 1ure n SER 109 N 15.27 4.89 0.00 3.58 3.41 0.34 -4.86 113.62 136.25 1ure n SER 109 Ca 0.35 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1ure n SER 109 Cb 0.54 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ure n GLY 110 N 3.01 2.10 0.22 5.00 0.00 -1.26 -3.49 105.19 110.77 1ure n GLY 110 Ca 0.42 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1ure n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ure h ASN 111 N 0.00 0.00 -2.79 1.61 2.35 -1.97 -3.45 115.58 111.34 1ure h ASN 111 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 1ure h ASN 111 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1ure h ASN 111 CO 0.00 0.24 -0.46 -1.61 -1.65 0.00 0.00 177.43 173.95 1ure s GLU 112 N -3.86 3.49 0.01 0.81 0.41 -1.23 -4.47 118.70 113.85 1ure s GLU 112 Ca -0.01 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 1ure s GLU 112 Cb 0.12 -3.12 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 1ure s GLU 112 CO 0.64 0.70 0.08 -1.17 -0.49 0.00 0.00 175.26 175.01 1ure s LEU 113 N -1.60 3.86 -0.23 1.80 0.20 -1.08 0.13 118.68 121.76 1ure s LEU 113 Ca 0.24 0.11 -0.03 0.00 0.69 0.00 0.00 54.13 55.13 1ure s LEU 113 Cb -0.13 -2.29 0.12 0.00 -0.43 0.00 0.00 46.19 43.46 1ure s LEU 113 CO 0.14 0.26 0.33 -0.63 -0.29 0.00 0.00 176.35 176.15 1ure s ILE 114 N -1.22 -0.51 0.63 6.68 1.01 -1.18 0.00 121.20 126.61 1ure s ILE 114 Ca 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 1ure s ILE 114 Cb -0.12 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.63 1ure s ILE 114 CO 0.15 -0.13 0.94 -1.10 0.00 0.00 0.00 174.94 174.80 1ure s GLN 115 N 2.48 2.63 0.00 2.79 -0.21 -1.03 -0.98 119.66 125.33 1ure s GLN 115 Ca 0.10 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1ure s GLN 115 Cb -0.15 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1ure s GLN 115 CO -0.14 -0.91 0.00 0.25 -2.12 0.00 0.00 175.29 172.37 1ure n THR 116 N -2.71 0.00 -4.16 -0.19 -2.24 -1.20 0.11 114.28 103.91 1ure n THR 116 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1ure n THR 116 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1ure n THR 116 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ure n TYR 117 N 0.00 -0.73 -3.24 4.78 4.01 -1.18 -2.91 117.16 117.89 1ure n TYR 117 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ure n TYR 117 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.18 0.00 -0.03 -0.72 5.66 -0.00 -1.72 114.28 117.29 1ure n THR 118 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ure n THR 118 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.21 1.09 9.36 -1.26 0.25 117.16 126.81 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 -0.33 0.00 0.00 -0.63 0.00 0.00 39.34 38.38 1ure n TYR 119 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ure n GLU 120 N -2.11 0.00 0.00 2.98 0.00 -1.26 -3.05 120.64 117.21 1ure n GLU 120 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1ure n GLU 120 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.99 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 121 N -0.49 0.81 3.16 8.31 0.00 -1.26 -4.99 105.19 110.73 1ure n GLY 121 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.73 0.76 1.61 1.01 -1.26 -5.03 120.40 121.22 1ure s VAL 122 Ca 0.00 -2.05 -0.13 0.00 0.00 0.00 0.00 61.98 59.80 1ure s VAL 122 Cb 0.00 -3.50 0.19 0.00 0.00 0.00 0.00 36.38 33.08 1ure s VAL 122 CO 0.00 -0.75 0.55 -0.62 0.00 0.00 0.00 175.10 174.28 1ure n GLU 123 N 4.60 -2.94 -1.18 2.72 4.71 -1.26 -4.42 120.64 122.86 1ure n GLU 123 Ca -0.03 -0.90 0.00 0.00 -0.01 0.00 0.00 57.16 56.22 1ure n GLU 123 Cb 0.41 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ure n ALA 124 N -4.33 0.00 -3.52 0.62 0.00 -0.70 -4.56 120.51 108.02 1ure n ALA 124 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1ure n ALA 124 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 1ure n ALA 124 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ure s LYS 125 N -1.35 0.84 -0.44 0.00 3.01 -1.26 -3.08 119.74 117.46 1ure s LYS 125 Ca 0.00 0.62 0.05 0.00 -1.01 0.00 0.00 55.97 55.62 1ure s LYS 125 Cb 0.00 0.40 0.18 0.00 -1.01 0.00 0.00 37.83 37.41 1ure s LYS 125 CO 0.00 -0.17 0.39 0.54 0.51 0.00 0.00 175.35 176.62 1ure n ARG 126 N 2.06 0.50 -1.88 1.68 1.74 0.31 -0.54 116.66 120.53 1ure n ARG 126 Ca -0.16 -3.36 -0.32 0.00 -0.77 0.00 0.00 57.85 53.25 1ure n ARG 126 Cb 0.56 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.36 3.26 0.11 0.55 -1.09 0.42 -2.47 121.20 121.62 1ure s ILE 127 Ca 0.33 -0.01 -0.25 0.00 -2.23 0.00 0.00 60.65 58.48 1ure s ILE 127 Cb 0.05 -3.64 -0.07 0.00 -1.58 0.00 0.00 42.46 37.23 1ure s ILE 127 CO -0.18 -0.61 0.77 -0.36 -1.23 0.00 0.00 174.94 173.33 1ure s PHE 128 N 10.78 3.83 -0.67 3.97 0.08 0.10 -2.44 117.98 133.63 1ure s PHE 128 Ca 0.78 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 59.37 1ure s PHE 128 Cb -0.12 -2.78 0.44 0.00 -0.57 0.00 0.00 43.02 39.98 1ure s PHE 128 CO 0.15 0.42 1.99 1.63 -0.10 0.00 0.00 175.22 179.30 1ure n LYS 129 N 2.11 2.75 -1.20 0.44 4.76 -0.65 -2.63 118.16 123.74 1ure n LYS 129 Ca -0.04 -3.37 0.00 0.00 -2.87 0.00 0.00 58.31 52.03 1ure n LYS 129 Cb 0.49 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 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 -0.86 -0.41 0.00 1.97 4.81 -1.26 -4.70 118.16 117.70 1ure n LYS 130 Ca 0.61 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1ure n LYS 130 Cb 0.62 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.36 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66