#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 3.45 -3.26 0.00 3.72 -1.26 -4.72 117.46 115.40 1ure n PHE 2 Ca 0.00 -2.92 -0.05 0.00 -0.05 0.00 0.00 57.45 54.43 1ure n PHE 2 Cb 0.00 -2.35 -0.04 0.00 -0.94 0.00 0.00 39.48 36.15 1ure n PHE 2 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1ure s ASP 3 N 2.48 -0.25 0.00 4.37 -4.77 -1.26 -4.59 116.67 112.65 1ure s ASP 3 Ca 0.45 -0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.54 1ure s ASP 3 Cb 0.11 1.40 0.00 0.00 -1.09 0.00 0.00 42.92 43.35 1ure s ASP 3 CO -0.05 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.10 1ure n GLY 4 N 5.38 -1.12 3.98 2.12 0.00 0.32 -5.01 105.19 110.85 1ure n GLY 4 Ca 0.02 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.96 4.05 -0.20 2.61 -1.32 -1.26 0.12 115.64 116.68 1ure s THR 5 Ca 0.00 -0.80 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1ure s THR 5 Cb 0.00 -3.44 0.09 0.00 -1.51 0.00 0.00 72.50 67.64 1ure s THR 5 CO 0.00 -0.23 0.42 0.26 -2.21 0.00 0.00 174.62 172.87 1ure s TRP 6 N -2.33 -0.78 -0.36 9.09 0.52 0.45 -0.91 118.94 124.62 1ure s TRP 6 Ca 0.46 1.51 0.02 0.00 0.02 0.00 0.00 56.10 58.12 1ure s TRP 6 Cb -0.10 0.31 0.11 0.00 -1.15 0.00 0.00 33.47 32.64 1ure s TRP 6 CO 0.34 -0.47 0.11 0.21 0.02 0.00 0.00 176.95 177.16 1ure s LYS 7 N 2.47 1.27 0.16 4.98 2.20 -1.22 0.13 119.74 129.73 1ure s LYS 7 Ca -0.03 -1.72 -0.28 0.00 -0.36 0.00 0.00 55.97 53.59 1ure s LYS 7 Cb -0.12 -2.74 -0.16 0.00 -1.51 0.00 0.00 37.83 33.30 1ure s LYS 7 CO -0.13 -1.00 0.55 1.55 -0.36 0.00 0.00 175.35 175.97 1ure n VAL 8 N 4.24 1.61 -1.52 4.02 3.14 -1.10 -4.07 118.33 124.67 1ure n VAL 8 Ca 0.03 -0.40 0.01 0.00 -2.96 0.00 0.00 64.34 61.01 1ure n VAL 8 Cb 0.40 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.19 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 1.80 0.30 0.00 6.55 2.03 -0.71 -4.78 116.55 121.74 1ure n ASP 9 Ca 0.17 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.70 1ure n ASP 9 Cb 0.21 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1ure n ASP 9 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ure n ARG 10 N -0.15 0.00 -1.77 -0.67 0.63 -1.08 -5.03 116.66 108.59 1ure n ARG 10 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1ure n ARG 10 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1ure n ARG 10 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ure n ASN 11 N 0.00 1.89 0.00 6.15 4.13 -1.26 0.21 115.26 126.38 1ure n ASN 11 Ca 0.00 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1ure n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ure n ASN 11 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ure n GLU 12 N -0.05 0.00 0.00 3.52 4.07 -0.22 -4.85 120.64 123.11 1ure n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ure n GLU 12 Cb 0.00 -0.15 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 1ure n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ure n ASN 13 N -2.09 1.50 0.15 4.31 5.15 -1.26 -4.79 115.26 118.23 1ure n ASN 13 Ca 0.00 -1.67 0.16 0.00 -0.60 0.00 0.00 54.58 52.47 1ure n ASN 13 Cb 0.00 0.00 0.72 0.00 -0.53 0.00 0.00 39.78 39.97 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 0.00 -0.23 1.20 5.03 -1.75 -1.49 116.97 119.73 1ure h TYR 14 Ca 0.00 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.13 1ure h TYR 14 Cb 0.48 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1ure h TYR 14 CO 0.00 0.00 -0.57 1.05 -1.32 0.00 0.00 178.16 177.32 1ure h GLU 15 N 0.00 0.72 0.00 1.82 4.11 -1.91 -3.07 114.58 116.25 1ure h GLU 15 Ca 0.12 -0.47 -0.12 0.00 0.07 0.00 0.00 59.36 58.96 1ure h GLU 15 Cb 0.53 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1ure h GLU 15 CO -0.00 1.09 -0.57 -0.22 0.07 0.00 0.00 179.01 179.38 1ure h LYS 16 N 0.55 0.00 0.00 1.06 3.64 -1.69 -3.20 116.57 116.93 1ure h LYS 16 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1ure h LYS 16 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1ure h LYS 16 CO 0.12 0.57 -0.20 0.35 -2.27 0.00 0.00 179.45 178.01 1ure h PHE 17 N 0.00 0.00 -0.00 1.91 3.57 -1.21 -2.67 116.94 118.54 1ure h PHE 17 Ca -0.01 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1ure h PHE 17 Cb 1.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1ure h PHE 17 CO 0.00 0.20 -0.80 0.52 -2.23 0.00 0.00 178.31 176.00 1ure h MET 18 N 0.00 0.02 -0.17 1.11 0.00 -1.54 -2.49 114.93 111.85 1ure h MET 18 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 59.70 59.57 1ure h MET 18 Cb 0.83 0.01 -0.01 0.00 0.00 0.00 0.00 31.60 32.42 1ure h MET 18 CO 0.03 0.81 -0.35 1.49 0.00 0.00 0.00 176.91 178.89 1ure h GLU 19 N 0.01 0.36 -0.01 1.72 4.81 -1.53 0.58 114.58 120.52 1ure h GLU 19 Ca -0.01 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 58.88 1ure h GLU 19 Cb 1.41 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 1ure h GLU 19 CO 0.11 0.67 -0.81 -0.22 -0.73 0.00 0.00 179.01 178.02 1ure h LYS 20 N 0.31 0.14 0.00 1.92 1.63 -1.45 -3.00 116.57 116.12 1ure h LYS 20 Ca 0.04 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1ure h LYS 20 Cb 0.76 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1ure h LYS 20 CO 0.06 0.87 -0.03 0.52 -3.45 0.00 0.00 179.45 177.42 1ure h MET 21 N 0.08 0.00 -0.85 1.90 2.86 -1.22 -3.48 114.93 114.22 1ure h MET 21 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ure h MET 21 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 1ure h MET 21 CO 0.12 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.53 1ure n GLY 22 N 0.94 0.68 3.45 8.32 0.00 -0.38 -4.99 105.19 113.21 1ure n GLY 22 Ca 0.03 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.28 2.40 0.35 -0.61 -1.09 0.19 -4.98 121.20 115.17 1ure s ILE 23 Ca 0.00 -2.24 0.08 0.00 -2.23 0.00 0.00 60.65 56.26 1ure s ILE 23 Cb 0.00 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.62 1ure s ILE 23 CO 0.00 -0.28 0.11 0.20 -1.23 0.00 0.00 174.94 173.74 1ure s ASN 24 N -3.14 4.50 0.02 3.58 0.01 -1.26 -4.57 114.94 114.08 1ure s ASN 24 Ca 0.26 -0.88 -0.04 0.00 -0.71 0.00 0.00 52.86 51.48 1ure s ASN 24 Cb -0.06 -0.63 -0.01 0.00 0.41 0.00 0.00 41.25 40.96 1ure s ASN 24 CO 0.12 -0.32 0.22 1.33 -1.51 0.00 0.00 177.10 176.95 1ure n VAL 25 N -1.11 -0.09 0.10 1.60 0.24 -1.26 -0.20 118.33 117.62 1ure n VAL 25 Ca -0.03 0.35 -0.21 0.00 -2.04 0.00 0.00 64.34 62.41 1ure n VAL 25 Cb 0.62 -0.44 -0.13 0.00 -1.47 0.00 0.00 33.84 32.43 1ure n VAL 25 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ure h VAL 26 N 0.00 1.33 -0.53 3.34 2.07 -1.99 -3.22 116.25 117.25 1ure h VAL 26 Ca 0.02 -2.62 -0.06 0.00 0.82 0.00 0.00 66.70 64.86 1ure h VAL 26 Cb 0.06 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1ure h VAL 26 CO -0.13 0.79 0.09 0.50 0.02 0.00 0.00 177.57 178.84 1ure h LYS 27 N 0.21 0.85 0.00 1.57 3.64 -1.35 -0.55 116.57 120.94 1ure h LYS 27 Ca -0.18 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1ure h LYS 27 Cb 1.95 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 1ure h LYS 27 CO 0.23 0.79 -0.24 0.07 -2.27 0.00 0.00 179.45 178.03 1ure h ARG 28 N 0.80 0.00 -0.08 1.90 0.11 -0.70 -3.15 114.38 113.27 1ure h ARG 28 Ca 0.17 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.04 1ure h ARG 28 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1ure h ARG 28 CO 0.01 0.24 -0.82 -0.22 0.10 0.00 0.00 179.97 179.28 1ure h LYS 29 N 0.00 0.57 -0.17 0.08 3.64 -1.43 -2.76 116.57 116.49 1ure h LYS 29 Ca -0.00 -0.50 -0.13 0.00 -1.27 0.00 0.00 60.65 58.75 1ure h LYS 29 Cb 1.08 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1ure h LYS 29 CO 0.03 1.13 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.82 1ure h LEU 30 N 0.37 0.45 -0.33 5.20 3.38 -1.14 -2.46 115.31 120.78 1ure h LEU 30 Ca -0.06 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1ure h LEU 30 Cb 1.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1ure h LEU 30 CO 0.15 0.84 -0.45 1.23 0.09 0.00 0.00 178.44 180.30 1ure h GLY 31 N 1.16 0.00 1.16 0.83 0.00 -1.58 -1.46 103.07 103.17 1ure h GLY 31 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.11 1ure h GLY 31 CO 0.08 0.00 -0.92 0.00 0.00 0.00 0.00 176.54 175.69 1ure h ALA 32 N 1.55 0.18 -0.67 3.60 0.00 -1.29 -3.23 119.26 119.40 1ure h ALA 32 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ure h ALA 32 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ure h ALA 32 CO 0.06 0.65 0.00 0.72 0.00 0.00 0.00 179.25 180.68 1ure n HIS 33 N -3.91 0.89 -0.30 0.00 -0.00 -0.94 -4.71 115.22 106.24 1ure n HIS 33 Ca -0.10 -0.44 0.35 0.00 -0.00 0.00 0.00 57.72 57.52 1ure n HIS 33 Cb 0.82 0.00 0.74 0.00 -0.00 0.00 0.00 29.99 31.55 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1ure h ASP 34 N 4.00 0.00 -0.99 0.41 3.04 -1.28 -3.46 116.42 118.14 1ure h ASP 34 Ca 0.00 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.66 1ure h ASP 34 Cb 0.91 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.20 1ure h ASP 34 CO 0.00 0.00 -0.16 0.59 -2.04 0.00 0.00 179.24 177.63 1ure n ASN 35 N -4.07 -2.54 -4.43 4.15 5.03 -1.26 -1.90 115.26 110.25 1ure n ASN 35 Ca 0.25 -0.01 -0.51 0.00 0.87 0.00 0.00 54.58 55.17 1ure n ASN 35 Cb 1.26 -1.84 -0.08 0.00 -1.02 0.00 0.00 39.78 38.09 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1ure n LEU 36 N -0.96 1.97 -4.21 3.41 7.94 -1.26 -4.73 117.00 119.15 1ure n LEU 36 Ca -0.07 0.42 -0.39 0.00 -1.11 0.00 0.00 56.01 54.86 1ure n LEU 36 Cb 0.56 -1.23 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 1ure n LEU 36 CO 0.09 -0.75 -0.12 -0.75 -1.11 0.00 0.00 177.39 174.76 1ure s LYS 37 N 6.25 2.41 -0.46 1.96 2.20 -1.25 -2.70 119.74 128.15 1ure s LYS 37 Ca 1.11 -1.61 -0.23 0.00 -0.36 0.00 0.00 55.97 54.88 1ure s LYS 37 Cb -0.92 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 31.70 1ure s LYS 37 CO 0.50 -1.02 0.79 -0.51 -0.36 0.00 0.00 175.35 174.75 1ure s LEU 38 N 1.33 4.28 -0.76 5.43 1.02 0.36 -2.63 118.68 127.70 1ure s LEU 38 Ca 0.04 -0.17 -0.17 0.00 0.02 0.00 0.00 54.13 53.85 1ure s LEU 38 Cb -0.24 -2.92 0.15 0.00 0.02 0.00 0.00 46.19 43.20 1ure s LEU 38 CO -0.00 -0.94 0.84 -0.89 0.02 0.00 0.00 176.35 175.37 1ure s THR 39 N 3.31 5.07 -0.18 5.49 2.01 0.10 -0.41 115.64 131.03 1ure s THR 39 Ca 0.29 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 1ure s THR 39 Cb -0.12 -4.56 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 1ure s THR 39 CO 0.22 -1.19 1.23 -0.63 -0.69 0.00 0.00 174.62 173.55 1ure s ILE 40 N 1.83 4.34 -0.32 1.82 1.01 0.32 -1.41 121.20 128.80 1ure s ILE 40 Ca 0.19 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.48 1ure s ILE 40 Cb -0.14 -4.05 0.10 0.00 0.01 0.00 0.00 42.46 38.38 1ure s ILE 40 CO -0.03 -0.14 0.06 -0.89 0.00 0.00 0.00 174.94 173.93 1ure s THR 41 N 3.45 1.69 0.77 2.92 2.01 0.13 -0.52 115.64 126.09 1ure s THR 41 Ca 0.53 -1.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.52 1ure s THR 41 Cb -0.21 -2.23 0.05 0.00 0.01 0.00 0.00 72.50 70.13 1ure s THR 41 CO 0.13 -0.59 1.08 -1.58 -0.69 0.00 0.00 174.62 172.98 1ure s GLN 42 N 1.21 2.28 0.00 4.92 0.74 -1.26 -1.52 119.66 126.04 1ure s GLN 42 Ca 0.09 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1ure s GLN 42 Cb -0.18 -1.93 0.00 0.00 1.10 0.00 0.00 33.01 32.00 1ure s GLN 42 CO -0.14 -1.52 0.00 -1.91 -0.55 0.00 0.00 175.29 171.17 1ure n GLU 43 N -3.39 0.00 -2.20 1.67 2.13 0.10 -4.90 120.64 114.05 1ure n GLU 43 Ca 0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 1ure n GLU 43 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 0.00 4.52 2.81 8.31 0.00 -1.26 -4.25 105.19 115.33 1ure n GLY 44 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 4.73 0.00 -4.67 1.61 3.02 -1.26 -4.99 115.26 113.70 1ure n ASN 45 Ca 0.43 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.62 1ure n ASN 45 Cb 0.38 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.06 4.12 -0.41 3.52 2.20 -1.26 -3.26 119.74 124.58 1ure s LYS 46 Ca 0.00 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.37 1ure s LYS 46 Cb 0.00 -3.52 0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1ure s LYS 46 CO 0.00 0.06 0.27 -0.06 -0.36 0.00 0.00 175.35 175.26 1ure s PHE 47 N 1.03 3.27 -0.13 4.03 0.08 -1.23 -0.72 117.98 124.31 1ure s PHE 47 Ca 0.11 -1.11 -0.15 0.00 0.12 0.00 0.00 56.93 55.90 1ure s PHE 47 Cb -0.14 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.50 1ure s PHE 47 CO 0.05 -0.74 0.36 -0.08 -0.10 0.00 0.00 175.22 174.70 1ure s THR 48 N 1.54 5.25 -0.46 0.64 -1.32 -0.57 -0.98 115.64 119.73 1ure s THR 48 Ca 0.03 0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 61.15 1ure s THR 48 Cb -0.21 -3.69 0.12 0.00 -1.51 0.00 0.00 72.50 67.21 1ure s THR 48 CO 0.05 0.39 0.28 0.54 -2.21 0.00 0.00 174.62 173.68 1ure s VAL 49 N 0.37 3.60 -0.05 5.08 0.11 -1.26 -0.69 120.40 127.55 1ure s VAL 49 Ca 0.20 -2.15 -0.30 0.00 -2.93 0.00 0.00 61.98 56.80 1ure s VAL 49 Cb -0.14 -3.42 -0.06 0.00 -1.53 0.00 0.00 36.38 31.23 1ure s VAL 49 CO 0.07 -0.75 1.71 -0.75 -3.33 0.00 0.00 175.10 172.05 1ure s LYS 50 N 0.98 4.15 -0.70 1.54 2.20 -0.50 -1.89 119.74 125.51 1ure s LYS 50 Ca 0.09 2.24 -0.01 0.00 -0.36 0.00 0.00 55.97 57.94 1ure s LYS 50 Cb -0.23 -4.02 0.18 0.00 -1.51 0.00 0.00 37.83 32.24 1ure s LYS 50 CO -0.03 -0.90 0.53 -2.00 -0.36 0.00 0.00 175.35 172.58 1ure s GLU 51 N 4.17 2.69 -1.34 4.03 2.12 -1.26 0.01 118.70 129.11 1ure s GLU 51 Ca 0.76 -2.89 -0.07 0.00 0.36 0.00 0.00 54.97 53.13 1ure s GLU 51 Cb -0.35 -3.70 0.11 0.00 0.26 0.00 0.00 34.13 30.45 1ure s GLU 51 CO 0.32 -1.21 2.30 0.43 -0.54 0.00 0.00 175.26 176.56 1ure n SER 52 N 2.87 7.22 -4.81 -1.70 7.64 -1.08 -3.43 113.62 120.33 1ure n SER 52 Ca 0.13 -3.07 -0.29 0.00 1.01 0.00 0.00 58.87 56.65 1ure n SER 52 Cb 0.36 -1.42 0.12 0.00 -1.01 0.00 0.00 64.21 62.26 1ure n SER 52 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ure s SER 53 N 0.74 3.93 0.66 6.43 1.04 0.21 -3.92 113.70 122.78 1ure s SER 53 Ca 0.51 0.85 0.40 0.00 0.48 0.00 0.00 55.95 58.20 1ure s SER 53 Cb 0.16 -1.37 2.20 0.00 0.10 0.00 0.00 66.02 67.10 1ure s SER 53 CO -0.06 -2.28 2.27 -1.13 0.98 0.00 0.00 173.24 173.02 1ure h ASN 54 N -1.31 0.00 0.00 7.02 -0.73 -1.67 -2.90 115.58 115.99 1ure h ASN 54 Ca -0.48 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.69 1ure h ASN 54 Cb 1.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.92 1ure h ASN 54 CO 0.63 0.00 -0.25 -0.26 -0.37 0.00 0.00 177.43 177.17 1ure h PHE 55 N 0.00 0.00 -3.54 0.67 -1.00 -1.89 -3.50 116.94 107.68 1ure h PHE 55 Ca 0.01 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.30 1ure h PHE 55 Cb 0.15 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.58 1ure h PHE 55 CO 0.00 0.00 -0.53 1.03 -1.61 0.00 0.00 178.31 177.20 1ure s ARG 56 N -1.86 1.78 -0.38 1.51 0.52 -1.10 -5.04 118.95 114.38 1ure s ARG 56 Ca -0.07 -2.05 0.12 0.00 -0.52 0.00 0.00 55.73 53.21 1ure s ARG 56 Cb 0.01 -0.25 0.36 0.00 0.52 0.00 0.00 34.95 35.59 1ure s ARG 56 CO 0.11 -0.50 0.76 0.09 0.02 0.00 0.00 175.30 175.79 1ure n ASN 57 N -1.22 1.12 0.02 0.23 3.02 -1.22 0.64 115.26 117.85 1ure n ASN 57 Ca -0.01 -3.02 -0.21 0.00 -0.03 0.00 0.00 54.58 51.31 1ure n ASN 57 Cb 0.64 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 39.07 1ure n ASN 57 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ure h ILE 58 N 1.30 1.18 -0.30 2.41 2.10 -1.95 -3.48 117.51 118.78 1ure h ILE 58 Ca 0.08 -2.44 0.00 0.00 1.08 0.00 0.00 64.86 63.59 1ure h ILE 58 Cb 0.96 2.86 0.00 0.00 -1.09 0.00 0.00 36.82 39.55 1ure h ILE 58 CO 0.52 0.70 -0.07 -0.67 -1.08 0.00 0.00 178.15 177.54 1ure n ASP 59 N -4.01 -1.58 -0.04 2.19 2.03 -1.26 -4.92 116.55 108.98 1ure n ASP 59 Ca -0.22 0.10 -0.09 0.00 0.52 0.00 0.00 54.79 55.11 1ure n ASP 59 Cb 0.87 0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 41.78 1ure n ASP 59 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ure n VAL 60 N -1.01 0.85 -1.25 5.18 0.31 -0.79 -4.84 118.33 116.78 1ure n VAL 60 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1ure n VAL 60 Cb 0.00 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1ure n VAL 60 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ure n VAL 61 N -3.62 -4.22 -3.12 2.52 0.24 -1.26 -4.89 118.33 103.99 1ure n VAL 61 Ca -0.15 1.79 0.02 0.00 -2.04 0.00 0.00 64.34 63.96 1ure n VAL 61 Cb 0.49 -2.63 -0.00 0.00 -1.47 0.00 0.00 33.84 30.22 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1ure s PHE 62 N -1.89 -1.43 0.28 6.34 -0.71 -0.16 -4.93 117.98 115.48 1ure s PHE 62 Ca 0.00 0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 56.05 1ure s PHE 62 Cb 0.00 0.26 -0.10 0.00 -1.21 0.00 0.00 43.02 41.96 1ure s PHE 62 CO 0.00 -0.92 1.40 -1.21 -1.34 0.00 0.00 175.22 173.16 1ure s GLU 63 N 2.25 4.28 -0.15 1.99 2.02 -1.26 -3.55 118.70 124.28 1ure s GLU 63 Ca 0.15 2.29 -0.37 0.00 0.02 0.00 0.00 54.97 57.06 1ure s GLU 63 Cb -0.04 -3.09 -0.14 0.00 0.10 0.00 0.00 34.13 30.95 1ure s GLU 63 CO -0.15 -0.36 1.74 1.28 0.02 0.00 0.00 175.26 177.78 1ure n LEU 64 N 1.82 2.71 0.00 1.80 4.32 -1.20 -0.42 117.00 126.02 1ure n LEU 64 Ca 0.05 1.05 0.00 0.00 -0.02 0.00 0.00 56.01 57.08 1ure n LEU 64 Cb 0.41 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1ure n LEU 64 CO 0.60 -0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1ure n GLY 65 N 4.03 0.82 3.22 -0.72 0.00 -0.84 -4.99 105.19 106.71 1ure n GLY 65 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1ure n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ure s VAL 66 N -3.28 4.42 1.35 1.61 1.01 0.44 -5.00 120.40 120.95 1ure s VAL 66 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 59.77 1ure s VAL 66 Cb 0.00 -3.87 0.34 0.00 0.00 0.00 0.00 36.38 32.85 1ure s VAL 66 CO 0.00 -0.83 0.98 1.51 0.00 0.00 0.00 175.10 176.75 1ure s ASP 67 N 2.44 -0.41 0.29 3.32 -4.77 -1.26 -4.27 116.67 112.00 1ure s ASP 67 Ca 0.09 0.91 -0.16 0.00 -3.30 0.00 0.00 52.55 50.09 1ure s ASP 67 Cb -0.24 -1.31 0.02 0.00 -1.09 0.00 0.00 42.92 40.30 1ure s ASP 67 CO -0.02 -4.97 0.62 0.72 0.70 0.00 0.00 175.17 172.22 1ure s PHE 68 N -2.44 0.17 -0.03 2.11 -0.71 -1.01 -4.96 117.98 111.11 1ure s PHE 68 Ca 0.69 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 56.01 1ure s PHE 68 Cb -0.14 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 1ure s PHE 68 CO 0.59 -1.20 -0.17 0.00 -1.34 0.00 0.00 175.22 173.10 1ure s ALA 69 N -3.61 2.58 -0.24 1.99 0.00 -1.26 -1.81 121.76 119.41 1ure s ALA 69 Ca 0.18 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1ure s ALA 69 Cb -0.03 -0.87 0.13 0.00 0.00 0.00 0.00 23.12 22.35 1ure s ALA 69 CO 0.10 0.56 0.42 -0.47 0.00 0.00 0.00 175.76 176.36 1ure s TYR 70 N -0.75 -0.92 0.29 0.00 5.04 0.16 -4.96 117.35 116.21 1ure s TYR 70 Ca 0.12 1.10 -0.24 0.00 -2.44 0.00 0.00 57.07 55.61 1ure s TYR 70 Cb -0.10 0.16 -0.09 0.00 0.35 0.00 0.00 41.96 42.27 1ure s TYR 70 CO 0.01 -0.69 0.88 -1.54 -1.34 0.00 0.00 175.55 172.87 1ure s SER 71 N 2.60 7.25 0.31 4.32 1.04 -1.26 -2.23 113.70 125.73 1ure s SER 71 Ca 0.11 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.29 1ure s SER 71 Cb -0.15 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.49 1ure s SER 71 CO -0.16 -0.04 0.38 0.18 0.98 0.00 0.00 173.24 174.59 1ure n LEU 72 N 0.61 0.00 0.03 2.42 4.32 0.17 -4.98 117.00 119.58 1ure n LEU 72 Ca 0.01 -1.38 0.12 0.00 -0.02 0.00 0.00 56.01 54.73 1ure n LEU 72 Cb 0.50 -0.18 0.14 0.00 -1.62 0.00 0.00 43.42 42.26 1ure n LEU 72 CO 0.44 -0.57 0.25 0.00 -1.22 0.00 0.00 177.39 176.29 1ure n ALA 73 N -2.59 3.29 0.89 -1.18 0.00 -1.26 -3.78 120.51 115.88 1ure n ALA 73 Ca -0.08 -0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.16 1ure n ALA 73 Cb 0.32 -1.08 0.56 0.00 0.00 0.00 0.00 19.45 19.25 1ure n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ure n ASP 74 N -1.89 0.20 0.00 0.00 5.68 -1.26 -4.88 116.55 114.40 1ure n ASP 74 Ca 0.03 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 1ure n ASP 74 Cb 0.41 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ure n GLY 75 N 1.40 1.39 3.25 6.12 0.00 -1.25 -5.00 105.19 111.10 1ure n GLY 75 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1ure n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 76 N -2.00 1.35 0.31 2.61 -4.23 -1.26 -4.95 115.64 107.47 1ure s THR 76 Ca 0.00 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1ure s THR 76 Cb 0.00 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.21 1ure s THR 76 CO 0.00 -0.44 0.56 -1.61 -0.54 0.00 0.00 174.62 172.60 1ure s GLU 77 N -2.77 3.60 0.02 3.99 8.01 -1.26 0.45 118.70 130.74 1ure s GLU 77 Ca 0.10 -0.05 -0.23 0.00 0.01 0.00 0.00 54.97 54.80 1ure s GLU 77 Cb -0.04 -2.64 0.05 0.00 -4.31 0.00 0.00 34.13 27.19 1ure s GLU 77 CO 0.03 0.18 0.53 -1.17 0.01 0.00 0.00 175.26 174.84 1ure s LEU 78 N -3.75 -0.10 -0.24 1.80 2.96 -0.95 -4.19 118.68 114.21 1ure s LEU 78 Ca 0.43 0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 54.40 1ure s LEU 78 Cb -0.10 2.12 0.06 0.00 0.50 0.00 0.00 46.19 48.77 1ure s LEU 78 CO 0.32 -0.67 0.63 -0.89 -1.32 0.00 0.00 176.35 174.42 1ure s THR 79 N -2.11 -0.00 -1.30 3.68 2.01 0.18 0.40 115.64 118.50 1ure s THR 79 Ca -0.07 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1ure s THR 79 Cb -0.01 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1ure s THR 79 CO 0.01 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1ure n GLY 80 N 2.86 -1.34 3.34 4.40 0.00 -0.75 0.16 105.19 113.85 1ure n GLY 80 Ca -0.14 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.78 0.74 -0.01 2.61 -4.23 -0.76 -2.42 115.64 108.79 1ure s THR 81 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1ure s THR 81 Cb 0.00 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1ure s THR 81 CO 0.00 -0.07 -0.17 0.26 -0.54 0.00 0.00 174.62 174.10 1ure s TRP 82 N -3.62 1.50 -0.06 3.99 0.52 -1.26 -0.94 118.94 119.07 1ure s TRP 82 Ca 0.36 -0.29 -0.09 0.00 0.02 0.00 0.00 56.10 56.10 1ure s TRP 82 Cb 0.08 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.45 1ure s TRP 82 CO 0.13 -0.02 0.22 -0.08 0.02 0.00 0.00 176.95 177.22 1ure s THR 83 N -0.41 0.02 -0.74 2.01 -1.32 0.27 -1.98 115.64 113.49 1ure s THR 83 Ca 0.06 -0.18 -0.26 0.00 -1.21 0.00 0.00 61.69 60.10 1ure s THR 83 Cb -0.07 -0.38 0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1ure s THR 83 CO -0.01 -0.10 1.24 -0.32 -2.21 0.00 0.00 174.62 173.22 1ure s MET 84 N -0.32 3.19 0.00 7.08 1.75 -1.26 -0.66 119.30 129.08 1ure s MET 84 Ca -0.04 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 1ure s MET 84 Cb -0.03 -4.22 0.00 0.00 2.84 0.00 0.00 34.83 33.41 1ure s MET 84 CO 0.01 -2.10 0.00 0.39 -0.65 0.00 0.00 175.02 172.67 1ure n GLU 85 N 9.11 0.00 -3.55 4.11 -0.58 -0.38 -4.91 120.64 124.43 1ure n GLU 85 Ca 0.03 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.48 1ure n GLU 85 Cb 0.49 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.22 1ure n GLU 85 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ure s GLY 86 N 0.00 0.90 -2.00 0.62 0.00 -1.26 -4.82 107.32 100.77 1ure s GLY 86 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.98 1ure s GLY 86 CO 0.00 1.94 0.00 -2.01 0.00 0.00 0.00 173.10 173.03 1ure n ASN 87 N 4.39 -5.13 -3.46 1.64 2.85 -1.26 -4.92 115.26 109.38 1ure n ASN 87 Ca 0.05 0.42 -0.11 0.00 -0.11 0.00 0.00 54.58 54.83 1ure n ASN 87 Cb 0.39 -4.53 -0.10 0.00 1.24 0.00 0.00 39.78 36.78 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1ure s LYS 88 N -3.80 0.30 0.06 1.20 1.02 -1.26 -4.57 119.74 112.68 1ure s LYS 88 Ca 0.00 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 56.27 1ure s LYS 88 Cb 0.00 -0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 1ure s LYS 88 CO 0.00 -0.54 1.13 -1.17 -0.92 0.00 0.00 175.35 173.84 1ure s LEU 89 N 2.51 4.38 -0.03 3.17 0.20 -1.10 -1.25 118.68 126.56 1ure s LEU 89 Ca 0.08 1.92 0.04 0.00 0.69 0.00 0.00 54.13 56.86 1ure s LEU 89 Cb -0.15 -3.58 -0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1ure s LEU 89 CO -0.14 -0.38 -0.13 0.68 -0.29 0.00 0.00 176.35 176.08 1ure s VAL 90 N 0.91 1.12 -0.35 1.68 -7.23 0.16 0.09 120.40 116.78 1ure s VAL 90 Ca 0.56 -0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 1ure s VAL 90 Cb -0.27 -0.97 0.07 0.00 0.56 0.00 0.00 36.38 35.77 1ure s VAL 90 CO 0.29 0.33 0.10 -0.83 -0.31 0.00 0.00 175.10 174.69 1ure s GLY 91 N 0.04 1.86 -0.38 2.32 0.00 0.28 -0.57 107.32 110.87 1ure s GLY 91 Ca -0.02 -2.01 -0.19 0.00 0.00 0.00 0.00 44.72 42.51 1ure s GLY 91 CO 0.01 0.83 0.54 0.54 0.00 0.00 0.00 173.10 175.02 1ure s LYS 92 N 1.27 3.47 -0.58 2.90 1.02 -0.12 -0.10 119.74 127.61 1ure s LYS 92 Ca 0.00 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.60 1ure s LYS 92 Cb -0.21 -3.86 0.15 0.00 -0.52 0.00 0.00 37.83 33.39 1ure s LYS 92 CO -0.01 -0.76 0.48 -0.06 -0.92 0.00 0.00 175.35 174.08 1ure s PHE 93 N 2.48 3.45 -0.06 3.18 0.08 0.34 -1.82 117.98 125.63 1ure s PHE 93 Ca 0.19 -1.85 -0.30 0.00 0.12 0.00 0.00 56.93 55.09 1ure s PHE 93 Cb -0.15 -3.60 -0.02 0.00 -0.57 0.00 0.00 43.02 38.67 1ure s PHE 93 CO 0.15 -0.98 0.99 0.15 -0.10 0.00 0.00 175.22 175.43 1ure s LYS 94 N 1.02 4.48 0.39 0.44 1.02 0.42 -2.08 119.74 125.42 1ure s LYS 94 Ca 0.09 1.40 -0.25 0.00 0.02 0.00 0.00 55.97 57.23 1ure s LYS 94 Cb -0.23 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.49 1ure s LYS 94 CO -0.02 -0.20 1.12 0.50 -0.92 0.00 0.00 175.35 175.83 1ure s ARG 95 N 1.56 4.16 0.14 1.68 3.52 0.11 0.49 118.95 130.61 1ure s ARG 95 Ca 0.50 1.71 -0.00 0.00 -0.13 0.00 0.00 55.73 57.81 1ure s ARG 95 Cb -0.19 -2.68 -0.10 0.00 -1.56 0.00 0.00 34.95 30.42 1ure s ARG 95 CO 0.22 -0.19 1.31 0.28 -0.81 0.00 0.00 175.30 176.11 1ure h VAL 96 N 2.36 1.49 0.00 7.11 2.07 -1.86 -2.04 116.25 125.38 1ure h VAL 96 Ca -0.48 -2.73 -0.26 0.00 0.82 0.00 0.00 66.70 64.05 1ure h VAL 96 Cb 1.22 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 1ure h VAL 96 CO 0.63 0.80 -1.98 0.47 0.02 0.00 0.00 177.57 177.50 1ure n ASP 97 N -3.63 0.38 0.04 0.57 9.92 -1.26 -4.35 116.55 118.22 1ure n ASP 97 Ca -0.05 0.17 0.01 0.00 -0.53 0.00 0.00 54.79 54.40 1ure n ASP 97 Cb 0.87 0.71 -0.07 0.00 -0.64 0.00 0.00 41.12 41.98 1ure n ASP 97 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1ure h ASN 98 N 0.00 0.00 -0.02 -2.24 -1.24 -1.96 -3.48 115.58 106.64 1ure h ASN 98 Ca -0.34 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 1ure h ASN 98 Cb 1.90 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.95 1ure h ASN 98 CO 0.04 0.51 -0.01 0.61 -1.29 0.00 0.00 177.43 177.29 1ure n GLY 99 N 1.36 0.16 3.88 1.57 0.00 -0.77 -4.98 105.19 106.42 1ure n GLY 99 Ca -0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1ure n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ure s LYS 100 N -1.55 3.15 0.31 1.61 1.02 -1.26 -4.82 119.74 118.20 1ure s LYS 100 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1ure s LYS 100 Cb 0.00 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1ure s LYS 100 CO 0.00 0.43 0.50 -2.00 -0.92 0.00 0.00 175.35 173.36 1ure s GLU 101 N -3.76 3.49 0.02 1.68 -6.30 -1.26 -0.71 118.70 111.86 1ure s GLU 101 Ca 0.33 -0.37 0.01 0.00 -2.50 0.00 0.00 54.97 52.44 1ure s GLU 101 Cb -0.09 -2.71 -0.01 0.00 0.00 0.00 0.00 34.13 31.32 1ure s GLU 101 CO 0.26 0.22 -0.03 -1.17 0.02 0.00 0.00 175.26 174.56 1ure s LEU 102 N -4.09 2.14 0.12 2.70 0.20 -0.88 -4.40 118.68 114.47 1ure s LEU 102 Ca 0.39 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.97 1ure s LEU 102 Cb -0.10 -0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.59 1ure s LEU 102 CO 0.34 -0.14 -0.17 -0.51 -0.29 0.00 0.00 176.35 175.58 1ure s ILE 103 N -0.84 1.52 -0.03 6.68 1.10 0.23 0.13 121.20 129.99 1ure s ILE 103 Ca -0.08 -1.66 0.01 0.00 -0.51 0.00 0.00 60.65 58.42 1ure s ILE 103 Cb -0.06 -1.54 0.01 0.00 0.15 0.00 0.00 42.46 41.02 1ure s ILE 103 CO -0.00 -0.27 -0.05 0.00 -2.11 0.00 0.00 174.94 172.51 1ure s ALA 104 N -1.73 0.61 -0.31 1.50 0.00 0.86 0.14 121.76 122.83 1ure s ALA 104 Ca 0.08 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1ure s ALA 104 Cb -0.07 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 22.81 1ure s ALA 104 CO 0.04 0.03 -0.01 0.54 0.00 0.00 0.00 175.76 176.37 1ure s VAL 105 N 0.59 2.22 -0.98 0.00 0.11 -1.24 -0.55 120.40 120.55 1ure s VAL 105 Ca -0.08 -2.08 -0.24 0.00 -2.93 0.00 0.00 61.98 56.66 1ure s VAL 105 Cb -0.11 -2.52 -0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1ure s VAL 105 CO 0.00 -0.39 1.72 -0.13 -3.33 0.00 0.00 175.10 172.97 1ure s ARG 106 N 0.98 3.06 -1.20 1.54 0.52 0.11 -3.41 118.95 120.55 1ure s ARG 106 Ca 0.04 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 1ure s ARG 106 Cb -0.19 -5.22 0.20 0.00 0.52 0.00 0.00 34.95 30.26 1ure s ARG 106 CO -0.07 -2.86 1.47 -1.91 0.02 0.00 0.00 175.30 171.95 1ure n GLU 107 N 8.83 3.52 -1.54 3.54 2.13 0.53 -2.71 120.64 134.93 1ure n GLU 107 Ca 0.38 -3.94 -0.38 0.00 0.66 0.00 0.00 57.16 53.87 1ure n GLU 107 Cb 0.49 -2.90 -0.05 0.00 0.27 0.00 0.00 31.44 29.25 1ure n GLU 107 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ure n ILE 108 N 3.82 -0.01 -2.32 6.31 5.41 -1.26 -3.55 119.36 127.76 1ure n ILE 108 Ca 0.34 -0.62 -0.43 0.00 1.00 0.00 0.00 62.75 63.04 1ure n ILE 108 Cb 0.40 -2.40 0.00 0.00 -0.71 0.00 0.00 39.64 36.94 1ure n ILE 108 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ure n SER 109 N 14.37 4.95 0.00 4.38 7.64 0.39 -4.81 113.62 140.53 1ure n SER 109 Ca 0.40 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1ure n SER 109 Cb 0.45 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 3.10 0.97 0.02 0.23 0.00 -1.26 -2.31 105.19 105.94 1ure n GLY 110 Ca 0.41 0.52 0.11 0.00 0.00 0.00 0.00 46.02 47.07 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 2.79 0.14 -4.55 1.61 4.13 -1.26 -4.84 115.26 113.26 1ure n ASN 111 Ca 0.00 0.01 -0.35 0.00 1.68 0.00 0.00 54.58 55.93 1ure n ASN 111 Cb 0.00 1.77 -0.11 0.00 -1.54 0.00 0.00 39.78 39.90 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ure s GLU 112 N -3.48 3.82 -0.01 3.52 8.01 -0.98 -4.39 118.70 125.19 1ure s GLU 112 Ca -0.07 -0.42 -0.14 0.00 0.01 0.00 0.00 54.97 54.35 1ure s GLU 112 Cb 0.14 -3.14 -0.06 0.00 -4.31 0.00 0.00 34.13 26.76 1ure s GLU 112 CO 0.89 0.17 0.39 -1.17 0.01 0.00 0.00 175.26 175.56 1ure s LEU 113 N 0.62 4.46 0.03 1.80 0.20 -1.25 0.15 118.68 124.69 1ure s LEU 113 Ca 0.01 0.93 0.04 0.00 0.69 0.00 0.00 54.13 55.80 1ure s LEU 113 Cb -0.13 -2.56 -0.02 0.00 -0.43 0.00 0.00 46.19 43.05 1ure s LEU 113 CO 0.02 0.32 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.64 1ure s ILE 114 N -1.00 0.96 -0.04 6.68 1.01 -1.23 0.06 121.20 127.63 1ure s ILE 114 Ca 0.23 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ure s ILE 114 Cb -0.16 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.45 1ure s ILE 114 CO 0.13 -0.04 -0.04 -1.10 0.00 0.00 0.00 174.94 173.89 1ure s GLN 115 N -1.09 0.81 0.39 2.79 -0.21 -0.12 -0.34 119.66 121.88 1ure s GLN 115 Ca -0.00 -0.10 0.06 0.00 0.02 0.00 0.00 55.36 55.34 1ure s GLN 115 Cb -0.08 -0.81 0.06 0.00 1.00 0.00 0.00 33.01 33.18 1ure s GLN 115 CO 0.01 -0.08 0.50 0.25 -2.12 0.00 0.00 175.29 173.85 1ure n THR 116 N 4.02 0.00 -3.07 -0.19 -2.24 -1.22 0.11 114.28 111.69 1ure n THR 116 Ca -0.25 -1.33 -0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1ure n THR 116 Cb 0.51 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1ure n THR 116 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ure s TYR 117 N -1.50 -1.66 -0.57 4.78 1.51 -1.22 -3.64 117.35 115.05 1ure s TYR 117 Ca 0.38 0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 56.26 1ure s TYR 117 Cb -0.03 0.31 0.09 0.00 -0.11 0.00 0.00 41.96 42.22 1ure s TYR 117 CO 0.24 -1.18 0.69 0.99 -1.11 0.00 0.00 175.55 175.19 1ure s THR 118 N 1.57 4.82 0.00 -0.71 2.01 0.36 -3.63 115.64 120.06 1ure s THR 118 Ca 0.20 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1ure s THR 118 Cb -0.03 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 68.03 1ure s THR 118 CO -0.07 -1.06 0.06 0.00 -0.69 0.00 0.00 174.62 172.86 1ure n TYR 119 N 6.33 0.00 0.00 4.92 9.36 -1.16 0.77 117.16 137.37 1ure n TYR 119 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1ure n TYR 119 Cb 0.43 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 1ure n TYR 119 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ure n GLU 120 N -0.85 0.00 -1.62 2.98 -0.58 -1.26 -3.92 120.64 115.39 1ure n GLU 120 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1ure n GLU 120 Cb 0.00 -0.12 0.07 0.00 -0.57 0.00 0.00 31.44 30.81 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 2.79 2.58 2.70 0.62 0.00 -1.26 -5.05 105.19 107.57 1ure n GLY 121 Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1ure n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ure s VAL 122 N -1.91 -0.05 0.64 1.61 0.11 -1.26 -5.12 120.40 114.41 1ure s VAL 122 Ca 0.35 0.35 0.04 0.00 -2.93 0.00 0.00 61.98 59.80 1ure s VAL 122 Cb 0.37 -0.17 0.10 0.00 -1.53 0.00 0.00 36.38 35.16 1ure s VAL 122 CO -0.10 0.17 0.88 -1.61 -3.33 0.00 0.00 175.10 171.11 1ure s GLU 123 N 1.90 2.02 -0.41 1.54 2.02 -1.26 -3.00 118.70 121.51 1ure s GLU 123 Ca 0.02 -1.35 -0.01 0.00 0.02 0.00 0.00 54.97 53.65 1ure s GLU 123 Cb -0.12 -2.49 0.22 0.00 0.10 0.00 0.00 34.13 31.84 1ure s GLU 123 CO -0.03 -1.13 0.99 0.00 0.02 0.00 0.00 175.26 175.11 1ure n ALA 124 N -2.53 -2.93 -1.77 5.21 0.00 -1.24 -4.21 120.51 113.05 1ure n ALA 124 Ca 0.15 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 1ure n ALA 124 Cb 0.61 -2.54 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 0.77 4.08 -0.42 0.00 3.01 -1.25 -3.46 119.74 122.46 1ure s LYS 125 Ca 0.27 2.30 0.03 0.00 -1.01 0.00 0.00 55.97 57.56 1ure s LYS 125 Cb 0.12 -2.89 0.16 0.00 -1.01 0.00 0.00 37.83 34.21 1ure s LYS 125 CO -0.10 -0.45 0.31 1.03 0.51 0.00 0.00 175.35 176.65 1ure s ARG 126 N -2.10 0.97 -0.18 1.68 0.52 0.31 -1.05 118.95 119.10 1ure s ARG 126 Ca 0.54 -2.02 -0.29 0.00 -0.52 0.00 0.00 55.73 53.44 1ure s ARG 126 Cb -0.41 -1.62 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 1ure s ARG 126 CO 0.54 -1.32 1.29 0.42 0.02 0.00 0.00 175.30 176.25 1ure s ILE 127 N 0.19 4.22 0.42 1.52 1.09 0.13 -0.95 121.20 127.83 1ure s ILE 127 Ca 0.28 1.46 0.08 0.00 -1.10 0.00 0.00 60.65 61.37 1ure s ILE 127 Cb -0.05 -3.99 -0.00 0.00 -1.06 0.00 0.00 42.46 37.36 1ure s ILE 127 CO -0.13 -0.18 0.48 -0.36 -0.10 0.00 0.00 174.94 174.66 1ure s PHE 128 N 3.66 2.77 -0.13 3.97 0.40 0.11 -1.74 117.98 127.03 1ure s PHE 128 Ca 0.56 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1ure s PHE 128 Cb -0.22 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.04 1ure s PHE 128 CO 0.16 -0.28 0.56 1.63 0.70 0.00 0.00 175.22 177.99 1ure n LYS 129 N -1.71 -0.66 -1.87 0.44 4.76 -1.26 -3.91 118.16 113.94 1ure n LYS 129 Ca 0.06 -0.61 -0.01 0.00 -2.87 0.00 0.00 58.31 54.88 1ure n LYS 129 Cb 0.60 -1.02 -0.01 0.00 -1.84 0.00 0.00 35.03 32.76 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 0.04 -1.35 0.00 1.97 4.81 -1.26 -4.76 118.16 117.60 1ure n LYS 130 Ca 0.01 1.38 0.00 0.00 -0.87 0.00 0.00 58.31 58.82 1ure n LYS 130 Cb 0.04 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96