#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 0.19 -2.93 0.00 3.72 -1.26 -4.73 117.46 112.45 1ure n PHE 2 Ca 0.00 -0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1ure n PHE 2 Cb 0.00 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.70 1ure n PHE 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ure s ASP 3 N 1.79 -1.03 0.00 4.37 2.15 -1.26 -4.52 116.67 118.17 1ure s ASP 3 Ca 1.25 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.47 1ure s ASP 3 Cb -0.73 1.32 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 1ure s ASP 3 CO 0.49 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 176.01 1ure n GLY 4 N 3.67 0.00 3.43 2.66 0.00 -0.32 -5.02 105.19 109.62 1ure n GLY 4 Ca 0.11 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1ure n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ure s THR 5 N -0.01 2.08 -0.24 2.61 -1.32 -1.26 0.12 115.64 117.62 1ure s THR 5 Ca 0.00 -2.28 -0.05 0.00 -1.21 0.00 0.00 61.69 58.15 1ure s THR 5 Cb 0.00 -2.27 0.13 0.00 -1.51 0.00 0.00 72.50 68.85 1ure s THR 5 CO 0.00 -0.43 0.45 0.26 -2.21 0.00 0.00 174.62 172.69 1ure s TRP 6 N -2.75 -0.98 -0.35 9.09 0.52 0.42 0.12 118.94 125.00 1ure s TRP 6 Ca 0.28 1.37 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 1ure s TRP 6 Cb -0.01 0.29 0.05 0.00 -1.15 0.00 0.00 33.47 32.64 1ure s TRP 6 CO 0.12 -0.65 0.13 0.21 0.02 0.00 0.00 176.95 176.78 1ure s LYS 7 N 2.65 2.57 0.48 4.98 2.20 -1.19 0.10 119.74 131.53 1ure s LYS 7 Ca 0.07 -1.27 -0.21 0.00 -0.36 0.00 0.00 55.97 54.20 1ure s LYS 7 Cb -0.14 -3.51 -0.11 0.00 -1.51 0.00 0.00 37.83 32.57 1ure s LYS 7 CO -0.16 -0.74 0.62 1.55 -0.36 0.00 0.00 175.35 176.26 1ure n VAL 8 N 4.80 2.09 -1.92 4.02 3.14 -0.71 -3.29 118.33 126.47 1ure n VAL 8 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1ure n VAL 8 Cb 0.44 -0.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 1ure n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ure n ASP 9 N 0.83 0.00 0.11 6.55 -0.08 -1.05 -4.82 116.55 118.10 1ure n ASP 9 Ca 0.11 -1.06 0.00 0.00 -1.51 0.00 0.00 54.79 52.34 1ure n ASP 9 Cb 0.42 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1ure n ASP 9 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1ure n ARG 10 N 0.00 0.00 -1.47 -0.67 3.00 -1.19 -5.05 116.66 111.28 1ure n ARG 10 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.04 1ure n ARG 10 Cb 0.51 -0.04 -0.07 0.00 0.00 0.00 0.00 32.46 32.86 1ure n ARG 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ure n ASN 11 N -3.27 -8.77 -3.64 6.15 4.13 -1.26 -4.97 115.26 103.62 1ure n ASN 11 Ca 0.00 1.00 -0.04 0.00 1.68 0.00 0.00 54.58 57.22 1ure n ASN 11 Cb 0.01 -4.71 -0.07 0.00 -1.54 0.00 0.00 39.78 33.47 1ure n ASN 11 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ure s GLU 12 N -3.20 0.37 -1.57 3.52 2.12 0.33 -4.82 118.70 115.44 1ure s GLU 12 Ca 0.00 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1ure s GLU 12 Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.52 1ure s GLU 12 CO 0.00 -0.06 0.00 -1.71 -0.54 0.00 0.00 175.26 172.95 1ure n ASN 13 N 2.93 -5.30 -0.05 -1.70 5.15 -1.26 0.19 115.26 115.22 1ure n ASN 13 Ca -0.15 -0.01 -0.04 0.00 -0.60 0.00 0.00 54.58 53.77 1ure n ASN 13 Cb 0.57 -4.36 -0.01 0.00 -0.53 0.00 0.00 39.78 35.44 1ure n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ure n TYR 14 N -3.98 0.10 -0.31 1.20 4.19 -1.26 -2.49 117.16 114.60 1ure n TYR 14 Ca -0.22 0.04 0.03 0.00 3.31 0.00 0.00 57.90 61.06 1ure n TYR 14 Cb 0.66 -0.33 0.22 0.00 0.49 0.00 0.00 39.34 40.39 1ure n TYR 14 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1ure h GLU 15 N -0.55 1.05 -0.37 2.98 4.22 -1.92 -1.32 114.58 118.67 1ure h GLU 15 Ca 0.00 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.30 1ure h GLU 15 Cb 0.50 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ure h GLU 15 CO 0.00 0.70 -0.08 -0.22 -2.18 0.00 0.00 179.01 177.23 1ure h LYS 16 N 1.08 0.71 0.00 1.92 3.64 -1.98 -3.24 116.57 118.70 1ure h LYS 16 Ca 0.37 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ure h LYS 16 Cb 0.11 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ure h LYS 16 CO -0.13 0.85 -0.01 0.74 -2.27 0.00 0.00 179.45 178.63 1ure h PHE 17 N 0.51 0.00 0.00 1.91 -1.00 -1.66 -2.85 116.94 113.86 1ure h PHE 17 Ca 0.10 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 1ure h PHE 17 Cb 0.59 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1ure h PHE 17 CO 0.05 0.01 -0.19 0.52 -1.61 0.00 0.00 178.31 177.09 1ure h MET 18 N 0.00 0.00 0.00 1.51 2.86 -1.27 -2.15 114.93 115.88 1ure h MET 18 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1ure h MET 18 Cb 1.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1ure h MET 18 CO 0.00 0.19 -0.35 1.49 1.06 0.00 0.00 176.91 179.30 1ure h GLU 19 N 0.00 0.00 0.05 1.72 4.81 -1.54 0.25 114.58 119.87 1ure h GLU 19 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1ure h GLU 19 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1ure h GLU 19 CO 0.02 0.35 -1.07 -0.22 -0.73 0.00 0.00 179.01 177.36 1ure h LYS 20 N 0.00 0.15 0.00 1.92 3.64 -1.45 -3.17 116.57 117.66 1ure h LYS 20 Ca -0.00 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1ure h LYS 20 Cb 0.98 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1ure h LYS 20 CO 0.05 1.08 -0.27 0.52 -2.27 0.00 0.00 179.45 178.55 1ure h MET 21 N 0.05 0.00 0.00 1.90 2.86 -1.37 -3.47 114.93 114.90 1ure h MET 21 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1ure h MET 21 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1ure h MET 21 CO 0.16 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1ure n GLY 22 N 0.61 0.97 3.49 8.32 0.00 -1.03 -4.90 105.19 112.65 1ure n GLY 22 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.89 4.69 -0.46 -0.61 -1.09 0.84 -4.90 121.20 117.78 1ure s ILE 23 Ca 0.00 -2.08 -0.43 0.00 -2.23 0.00 0.00 60.65 55.91 1ure s ILE 23 Cb 0.00 -4.95 -0.18 0.00 -1.58 0.00 0.00 42.46 35.76 1ure s ILE 23 CO 0.00 -1.70 2.00 -3.20 -1.23 0.00 0.00 174.94 170.81 1ure n ASN 24 N 6.66 1.16 0.00 3.58 2.85 -1.26 -3.92 115.26 124.33 1ure n ASN 24 Ca 0.35 0.78 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 1ure n ASN 24 Cb 0.46 -0.96 0.00 0.00 1.24 0.00 0.00 39.78 40.51 1ure n ASN 24 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1ure n VAL 25 N 5.91 0.00 0.21 3.44 0.31 -1.26 -1.33 118.33 125.61 1ure n VAL 25 Ca 0.46 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.88 1ure n VAL 25 Cb 0.00 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.64 0.00 2.52 -1.51 -2.01 -3.16 116.25 112.73 1ure h VAL 26 Ca 0.00 -1.20 -0.12 0.00 -1.23 0.00 0.00 66.70 64.15 1ure h VAL 26 Cb 0.00 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 1ure h VAL 26 CO 0.00 0.25 -0.55 0.11 -1.23 0.00 0.00 177.57 176.15 1ure h LYS 27 N 0.00 0.00 0.00 5.19 1.57 -1.43 -0.56 116.57 121.34 1ure h LYS 27 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ure h LYS 27 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ure h LYS 27 CO 0.03 0.55 -0.14 0.07 -0.57 0.00 0.00 179.45 179.40 1ure h ARG 28 N 0.00 0.00 0.08 3.15 0.11 -1.66 0.22 114.38 116.28 1ure h ARG 28 Ca -0.01 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.87 1ure h ARG 28 Cb 1.03 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.13 1ure h ARG 28 CO 0.07 0.14 -0.85 -0.22 0.10 0.00 0.00 179.97 179.21 1ure h LYS 29 N 0.00 0.43 0.00 0.08 3.64 -1.52 -0.33 116.57 118.88 1ure h LYS 29 Ca -0.00 -0.57 -0.06 0.00 -1.27 0.00 0.00 60.65 58.74 1ure h LYS 29 Cb 1.03 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1ure h LYS 29 CO 0.02 1.23 -0.29 -0.07 -2.27 0.00 0.00 179.45 178.06 1ure h LEU 30 N -0.09 0.00 -0.15 5.20 4.07 -1.11 -2.87 115.31 120.37 1ure h LEU 30 Ca -0.13 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.60 1ure h LEU 30 Cb 1.59 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.33 1ure h LEU 30 CO 0.16 0.29 -0.98 1.23 -1.08 0.00 0.00 178.44 178.07 1ure h GLY 31 N 3.51 0.37 1.29 0.83 0.00 -0.53 -2.43 103.07 106.11 1ure h GLY 31 Ca -0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 47.33 46.42 1ure h GLY 31 CO 0.04 0.62 -0.71 0.00 0.00 0.00 0.00 176.54 176.48 1ure h ALA 32 N 0.77 0.43 -0.56 3.60 0.00 -1.03 -3.21 119.26 119.25 1ure h ALA 32 Ca -0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1ure h ALA 32 Cb 1.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1ure h ALA 32 CO 0.16 0.70 0.02 0.72 0.00 0.00 0.00 179.25 180.85 1ure n HIS 33 N -3.93 2.03 -0.34 0.00 8.25 -1.09 -4.73 115.22 115.41 1ure n HIS 33 Ca -0.06 -0.73 0.34 0.00 -0.26 0.00 0.00 57.72 57.01 1ure n HIS 33 Cb 0.71 -0.51 0.70 0.00 1.12 0.00 0.00 29.99 32.01 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1ure h ASP 34 N 3.72 0.10 -0.10 0.41 3.04 -1.44 -3.45 116.42 118.70 1ure h ASP 34 Ca 0.02 0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 53.79 1ure h ASP 34 Cb 1.95 0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 40.23 1ure h ASP 34 CO 0.49 0.01 -0.04 0.59 -2.04 0.00 0.00 179.24 178.25 1ure n ASN 35 N -4.28 -3.46 -4.51 4.15 4.13 -1.26 -3.80 115.26 106.23 1ure n ASN 35 Ca 0.27 0.05 -0.62 0.00 1.68 0.00 0.00 54.58 55.96 1ure n ASN 35 Cb 1.21 -1.15 -0.10 0.00 -1.54 0.00 0.00 39.78 38.20 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 -0.24 1.26 -4.04 3.41 7.94 -1.26 -4.78 117.00 119.30 1ure n LEU 36 Ca -0.02 0.89 -0.33 0.00 -1.11 0.00 0.00 56.01 55.43 1ure n LEU 36 Cb 0.10 -0.96 -0.13 0.00 0.53 0.00 0.00 43.42 42.97 1ure n LEU 36 CO 0.03 -0.75 -0.16 -0.75 -1.11 0.00 0.00 177.39 174.65 1ure s LYS 37 N 4.64 2.00 -0.60 1.96 2.36 -1.25 -1.73 119.74 127.12 1ure s LYS 37 Ca 1.11 -2.26 -0.28 0.00 -2.55 0.00 0.00 55.97 51.99 1ure s LYS 37 Cb -1.38 -3.45 0.03 0.00 -1.05 0.00 0.00 37.83 31.98 1ure s LYS 37 CO 0.70 -1.08 1.22 -0.51 1.55 0.00 0.00 175.35 177.23 1ure s LEU 38 N 0.35 3.41 -1.15 5.43 1.02 0.28 -3.09 118.68 124.93 1ure s LEU 38 Ca 0.14 0.05 -0.11 0.00 0.02 0.00 0.00 54.13 54.22 1ure s LEU 38 Cb -0.22 -3.08 0.23 0.00 0.02 0.00 0.00 46.19 43.13 1ure s LEU 38 CO -0.04 -1.54 1.26 -0.89 0.02 0.00 0.00 176.35 175.16 1ure s THR 39 N 5.12 5.53 0.29 5.49 2.01 0.18 -0.44 115.64 133.82 1ure s THR 39 Ca 0.42 -3.03 -0.30 0.00 0.31 0.00 0.00 61.69 59.10 1ure s THR 39 Cb -0.08 -4.75 -0.11 0.00 0.01 0.00 0.00 72.50 67.57 1ure s THR 39 CO 0.24 -1.40 1.61 -0.63 -0.69 0.00 0.00 174.62 173.75 1ure s ILE 40 N 0.14 2.03 -0.24 1.82 -1.09 0.33 -1.96 121.20 122.23 1ure s ILE 40 Ca 0.36 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1ure s ILE 40 Cb -0.07 -3.02 0.07 0.00 -1.58 0.00 0.00 42.46 37.87 1ure s ILE 40 CO -0.04 0.00 -0.01 -0.89 -1.23 0.00 0.00 174.94 172.78 1ure s THR 41 N 0.03 1.23 -0.47 2.92 2.01 -1.23 -1.17 115.64 118.96 1ure s THR 41 Ca 0.64 -1.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 1ure s THR 41 Cb -0.48 -1.63 0.07 0.00 0.01 0.00 0.00 72.50 70.46 1ure s THR 41 CO 0.48 -0.23 0.42 -1.58 -0.69 0.00 0.00 174.62 173.02 1ure s GLN 42 N 1.52 3.00 -0.88 4.92 0.74 -1.26 -2.39 119.66 125.31 1ure s GLN 42 Ca -0.02 -1.24 0.01 0.00 0.05 0.00 0.00 55.36 54.15 1ure s GLN 42 Cb -0.18 -4.11 0.29 0.00 1.10 0.00 0.00 33.01 30.11 1ure s GLN 42 CO -0.09 -1.03 1.22 -1.91 -0.55 0.00 0.00 175.29 172.93 1ure n GLU 43 N 5.35 3.81 0.00 1.67 2.13 -0.67 -4.95 120.64 127.98 1ure n GLU 43 Ca -0.11 -4.64 0.00 0.00 0.66 0.00 0.00 57.16 53.07 1ure n GLU 43 Cb 0.44 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 1.68 2.77 8.31 0.00 -1.26 -3.22 105.19 114.31 1ure n GLY 44 Ca 0.30 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 9.77 7.24 -3.71 1.61 5.03 -1.26 -4.90 115.26 129.03 1ure n ASN 45 Ca 0.00 -3.82 -0.11 0.00 0.87 0.00 0.00 54.58 51.52 1ure n ASN 45 Cb 0.00 -0.98 -0.12 0.00 -1.02 0.00 0.00 39.78 37.66 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 -3.98 0.29 -0.65 3.52 2.20 -1.20 -3.62 119.74 116.31 1ure s LYS 46 Ca 0.54 0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 56.82 1ure s LYS 46 Cb 0.45 -0.06 0.16 0.00 -1.51 0.00 0.00 37.83 36.87 1ure s LYS 46 CO -0.33 -0.17 0.45 -0.06 -0.36 0.00 0.00 175.35 174.88 1ure s PHE 47 N 1.42 3.42 -0.99 4.03 0.08 -1.23 -1.68 117.98 123.03 1ure s PHE 47 Ca -0.09 -2.92 -0.14 0.00 0.12 0.00 0.00 56.93 53.90 1ure s PHE 47 Cb -0.10 -3.08 0.20 0.00 -0.57 0.00 0.00 43.02 39.47 1ure s PHE 47 CO -0.11 -0.78 1.07 -0.08 -0.10 0.00 0.00 175.22 175.22 1ure s THR 48 N -0.41 5.35 -0.39 0.64 -1.32 -1.00 -2.62 115.64 115.89 1ure s THR 48 Ca 0.19 -2.48 -0.28 0.00 -1.21 0.00 0.00 61.69 57.91 1ure s THR 48 Cb -0.19 -4.67 -0.01 0.00 -1.51 0.00 0.00 72.50 66.12 1ure s THR 48 CO -0.05 -1.31 1.69 0.68 -2.21 0.00 0.00 174.62 173.42 1ure s VAL 49 N 0.79 3.59 -0.15 5.08 -7.23 -0.34 -3.52 120.40 118.61 1ure s VAL 49 Ca 0.30 0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 60.75 1ure s VAL 49 Cb -0.07 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 1ure s VAL 49 CO -0.07 -0.59 1.58 -0.75 -0.31 0.00 0.00 175.10 174.96 1ure s LYS 50 N 5.60 3.99 -0.36 4.82 2.20 -0.83 -0.46 119.74 134.71 1ure s LYS 50 Ca 0.72 1.85 -0.03 0.00 -0.36 0.00 0.00 55.97 58.15 1ure s LYS 50 Cb -0.19 -3.98 0.08 0.00 -1.51 0.00 0.00 37.83 32.24 1ure s LYS 50 CO 0.32 -1.05 0.13 -2.00 -0.36 0.00 0.00 175.35 172.39 1ure s GLU 51 N 4.28 2.27 -0.81 4.03 2.12 -1.14 0.48 118.70 129.92 1ure s GLU 51 Ca 0.70 -1.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1ure s GLU 51 Cb -0.27 -3.45 0.36 0.00 0.26 0.00 0.00 34.13 31.02 1ure s GLU 51 CO 0.27 -0.86 1.84 0.45 -0.54 0.00 0.00 175.26 176.42 1ure n SER 52 N 4.66 7.02 -0.57 -1.70 2.88 -1.18 -2.96 113.62 121.77 1ure n SER 52 Ca -0.08 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.66 1ure n SER 52 Cb 0.43 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1ure n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ure n SER 53 N -0.46 0.83 0.00 -3.46 2.88 -1.25 -4.02 113.62 108.15 1ure n SER 53 Ca 0.50 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1ure n SER 53 Cb 0.30 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.24 0.00 -0.11 -3.46 2.85 -1.25 -4.54 115.26 109.00 1ure n ASN 54 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1ure n ASN 54 Cb 0.19 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.17 1ure n ASN 54 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ure h PHE 55 N 0.00 0.67 -2.75 1.20 0.04 -1.90 -3.43 116.94 110.77 1ure h PHE 55 Ca 0.00 -0.14 -0.15 0.00 2.80 0.00 0.00 57.97 60.48 1ure h PHE 55 Cb 0.00 -0.17 -0.29 0.00 2.20 0.00 0.00 35.95 37.70 1ure h PHE 55 CO 0.00 0.76 -0.40 -0.98 -0.60 0.00 0.00 178.31 177.09 1ure s ARG 56 N -4.83 0.29 -1.10 1.51 1.70 -1.26 -5.05 118.95 110.20 1ure s ARG 56 Ca -0.13 0.77 -0.06 0.00 -0.47 0.00 0.00 55.73 55.83 1ure s ARG 56 Cb 0.09 0.02 0.29 0.00 -0.57 0.00 0.00 34.95 34.78 1ure s ARG 56 CO 0.78 -0.20 1.34 0.09 -1.08 0.00 0.00 175.30 176.23 1ure n ASN 57 N 4.68 6.02 -4.20 -2.89 5.03 -1.24 -3.81 115.26 118.85 1ure n ASN 57 Ca -0.18 -3.25 -0.34 0.00 0.87 0.00 0.00 54.58 51.69 1ure n ASN 57 Cb 0.52 -1.32 -0.15 0.00 -1.02 0.00 0.00 39.78 37.81 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1ure s ILE 58 N -2.06 2.74 0.04 2.41 1.10 -1.16 -4.97 121.20 119.30 1ure s ILE 58 Ca 0.31 -0.87 -0.30 0.00 -0.51 0.00 0.00 60.65 59.28 1ure s ILE 58 Cb -0.01 -2.29 -0.07 0.00 0.15 0.00 0.00 42.46 40.24 1ure s ILE 58 CO 0.03 0.36 1.51 -1.81 -2.11 0.00 0.00 174.94 172.91 1ure s ASP 59 N 1.35 6.74 -0.42 4.50 1.11 -1.26 -2.90 116.67 125.78 1ure s ASP 59 Ca 0.03 2.30 -0.08 0.00 0.18 0.00 0.00 52.55 54.97 1ure s ASP 59 Cb -0.15 -2.56 0.09 0.00 1.07 0.00 0.00 42.92 41.36 1ure s ASP 59 CO -0.07 -0.79 0.25 -0.69 1.18 0.00 0.00 175.17 175.06 1ure s VAL 60 N 2.37 4.06 0.12 -1.27 1.01 0.39 -4.86 120.40 122.23 1ure s VAL 60 Ca 0.68 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1ure s VAL 60 Cb -0.36 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1ure s VAL 60 CO 0.29 -0.54 0.61 0.68 0.00 0.00 0.00 175.10 176.14 1ure s VAL 61 N 1.38 4.71 -0.34 2.92 -7.23 -1.26 -1.20 120.40 119.38 1ure s VAL 61 Ca 0.04 1.17 0.06 0.00 -1.81 0.00 0.00 61.98 61.44 1ure s VAL 61 Cb -0.23 -3.87 0.19 0.00 0.56 0.00 0.00 36.38 33.03 1ure s VAL 61 CO 0.01 0.42 0.63 0.72 -0.31 0.00 0.00 175.10 176.57 1ure s PHE 62 N -1.27 -1.75 0.46 2.82 -0.12 -1.08 -4.96 117.98 112.09 1ure s PHE 62 Ca 0.34 0.70 -0.23 0.00 -0.05 0.00 0.00 56.93 57.69 1ure s PHE 62 Cb -0.18 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.43 1ure s PHE 62 CO 0.20 -1.09 1.08 -1.91 -0.05 0.00 0.00 175.22 173.46 1ure n GLU 63 N 4.96 1.44 -2.08 1.99 2.13 -1.26 -3.58 120.64 124.24 1ure n GLU 63 Ca 0.08 0.52 -0.43 0.00 0.66 0.00 0.00 57.16 57.99 1ure n GLU 63 Cb 0.56 -2.17 -0.03 0.00 0.27 0.00 0.00 31.44 30.06 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 -1.21 3.96 0.00 4.31 1.02 -1.24 -2.56 118.68 122.96 1ure s LEU 64 Ca 0.65 1.74 0.00 0.00 0.02 0.00 0.00 54.13 56.54 1ure s LEU 64 Cb -0.51 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.17 1ure s LEU 64 CO 0.55 -1.22 0.00 0.61 0.02 0.00 0.00 176.35 176.31 1ure n GLY 65 N 4.59 0.49 3.02 -3.19 0.00 0.74 -4.93 105.19 105.91 1ure n GLY 65 Ca 0.19 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 3.67 -0.46 1.61 1.01 -1.06 -5.01 120.40 118.16 1ure s VAL 66 Ca 0.00 -3.95 -0.42 0.00 0.00 0.00 0.00 61.98 57.61 1ure s VAL 66 Cb 0.00 -3.34 -0.18 0.00 0.00 0.00 0.00 36.38 32.87 1ure s VAL 66 CO 0.00 -1.03 1.77 -0.90 0.00 0.00 0.00 175.10 174.94 1ure n ASP 67 N 2.30 0.86 -4.54 3.32 5.75 -1.26 -4.66 116.55 118.32 1ure n ASP 67 Ca 0.19 0.82 -0.26 0.00 -0.01 0.00 0.00 54.79 55.53 1ure n ASP 67 Cb 0.36 -0.82 -0.10 0.00 -1.03 0.00 0.00 41.12 39.52 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 4.40 2.40 -0.09 2.11 -0.71 -1.12 -4.96 117.98 120.02 1ure s PHE 68 Ca 1.05 -0.49 -0.01 0.00 -1.04 0.00 0.00 56.93 56.44 1ure s PHE 68 Cb -1.38 -1.38 -0.03 0.00 -1.21 0.00 0.00 43.02 39.02 1ure s PHE 68 CO 0.67 0.59 -0.04 0.00 -1.34 0.00 0.00 175.22 175.10 1ure s ALA 69 N -2.61 3.09 -0.35 1.99 0.00 -1.26 -2.05 121.76 120.58 1ure s ALA 69 Ca 0.32 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 1ure s ALA 69 Cb 0.02 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.88 1ure s ALA 69 CO 0.16 0.51 0.16 -0.47 0.00 0.00 0.00 175.76 176.12 1ure s TYR 70 N -0.62 1.44 -1.19 0.00 5.04 0.38 -4.95 117.35 117.45 1ure s TYR 70 Ca 0.10 -1.79 -0.21 0.00 -2.44 0.00 0.00 57.07 52.72 1ure s TYR 70 Cb -0.12 -1.52 -0.06 0.00 0.35 0.00 0.00 41.96 40.62 1ure s TYR 70 CO 0.02 -0.84 1.89 -1.13 -1.34 0.00 0.00 175.55 174.16 1ure n SER 71 N 4.41 3.48 -3.86 4.32 3.41 -1.26 -3.22 113.62 120.90 1ure n SER 71 Ca 0.03 -2.75 -0.17 0.00 -0.26 0.00 0.00 58.87 55.72 1ure n SER 71 Cb 0.39 -1.70 0.01 0.00 -0.26 0.00 0.00 64.21 62.65 1ure n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ure n LEU 72 N 12.50 -2.42 0.00 1.04 -0.00 -1.26 -4.97 117.00 121.89 1ure n LEU 72 Ca 0.46 -0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 56.27 1ure n LEU 72 Cb 0.46 -0.50 -0.14 0.00 -0.00 0.00 0.00 43.42 43.24 1ure n LEU 72 CO 0.73 -2.22 -0.17 0.00 -0.00 0.00 0.00 177.39 175.73 1ure h ALA 73 N -1.58 0.07 0.00 1.47 0.00 -1.98 -3.42 119.26 113.82 1ure h ALA 73 Ca -0.17 -0.89 -0.09 0.00 0.00 0.00 0.00 54.91 53.76 1ure h ALA 73 Cb 0.60 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 1ure h ALA 73 CO 0.09 0.55 -0.52 -3.47 0.00 0.00 0.00 179.25 175.90 1ure n ASP 74 N -4.13 0.06 -0.06 0.00 2.03 -1.26 -4.87 116.55 108.32 1ure n ASP 74 Ca -0.20 -1.81 -0.12 0.00 0.52 0.00 0.00 54.79 53.19 1ure n ASP 74 Cb 0.80 -0.06 -0.15 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.16 -0.88 0.46 0.27 0.00 -1.26 -4.50 105.19 99.44 1ure n GLY 75 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ure n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ure n THR 76 N -3.01 -1.52 0.00 2.61 -1.04 -1.26 -4.93 114.28 105.13 1ure n THR 76 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1ure n THR 76 Cb 1.09 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1ure n THR 76 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ure n GLU 77 N 0.71 0.00 -3.92 -2.82 4.07 -1.26 -4.87 120.64 112.56 1ure n GLU 77 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 1ure n GLU 77 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1ure s LEU 78 N 0.00 0.94 -0.05 4.31 0.20 -1.20 -3.69 118.68 119.20 1ure s LEU 78 Ca 0.00 -0.17 -0.01 0.00 0.69 0.00 0.00 54.13 54.64 1ure s LEU 78 Cb 0.00 -0.58 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 1ure s LEU 78 CO 0.00 -0.14 0.02 0.28 -0.29 0.00 0.00 176.35 176.22 1ure s THR 79 N 1.65 0.17 0.00 3.68 -1.32 0.16 0.15 115.64 120.13 1ure s THR 79 Ca 0.01 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1ure s THR 79 Cb -0.13 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1ure s THR 79 CO -0.05 0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1ure n GLY 80 N 4.85 3.73 3.55 6.08 0.00 -0.87 0.14 105.19 122.67 1ure n GLY 80 Ca -0.12 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.62 0.02 -0.14 2.61 -4.23 -1.13 -2.78 115.64 109.37 1ure s THR 81 Ca 0.00 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1ure s THR 81 Cb 0.00 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 1ure s THR 81 CO 0.00 -0.10 -0.10 0.26 -0.54 0.00 0.00 174.62 174.14 1ure s TRP 82 N -3.90 2.87 -0.28 3.99 0.52 -1.26 -1.65 118.94 119.24 1ure s TRP 82 Ca 0.11 -0.57 -0.02 0.00 0.02 0.00 0.00 56.10 55.64 1ure s TRP 82 Cb -0.01 -1.89 0.12 0.00 -1.15 0.00 0.00 33.47 30.54 1ure s TRP 82 CO -0.00 -0.18 0.22 -0.08 0.02 0.00 0.00 176.95 176.93 1ure s THR 83 N 0.41 -0.27 -0.28 2.01 -1.32 -0.07 -0.19 115.64 115.94 1ure s THR 83 Ca -0.08 -0.56 -0.35 0.00 -1.21 0.00 0.00 61.69 59.49 1ure s THR 83 Cb -0.15 -0.96 -0.11 0.00 -1.51 0.00 0.00 72.50 69.77 1ure s THR 83 CO 0.04 -0.55 2.09 0.80 -2.21 0.00 0.00 174.62 174.80 1ure n MET 84 N 5.29 1.40 -0.01 7.08 1.56 -1.26 -3.13 117.12 128.04 1ure n MET 84 Ca -0.04 0.43 -0.07 0.00 -0.27 0.00 0.00 57.70 57.76 1ure n MET 84 Cb 0.45 -2.56 -0.05 0.00 2.15 0.00 0.00 33.22 33.21 1ure n MET 84 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1ure h GLU 85 N 11.61 -0.09 0.00 2.12 4.39 -1.57 -3.48 114.58 127.55 1ure h GLU 85 Ca -0.35 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1ure h GLU 85 Cb 1.30 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1ure h GLU 85 CO 0.99 0.26 0.00 0.41 -1.16 0.00 0.00 179.01 179.52 1ure n GLY 86 N 1.37 2.86 2.51 -3.84 0.00 -1.26 -4.95 105.19 101.87 1ure n GLY 86 Ca -0.05 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -4.58 -3.61 1.61 4.13 -1.26 -4.83 115.26 106.72 1ure n ASN 87 Ca 0.00 0.23 -0.06 0.00 1.68 0.00 0.00 54.58 56.43 1ure n ASN 87 Cb 0.00 -3.52 -0.05 0.00 -1.54 0.00 0.00 39.78 34.68 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ure s LYS 88 N -2.62 0.31 -0.07 3.52 3.01 -1.26 -4.87 119.74 117.76 1ure s LYS 88 Ca 0.00 0.07 0.02 0.00 -1.01 0.00 0.00 55.97 55.05 1ure s LYS 88 Cb 0.00 0.15 -0.02 0.00 -1.01 0.00 0.00 37.83 36.94 1ure s LYS 88 CO 0.00 -0.10 -0.13 -1.17 0.51 0.00 0.00 175.35 174.47 1ure s LEU 89 N -1.09 2.81 -0.07 3.17 0.20 -1.01 -1.37 118.68 121.33 1ure s LEU 89 Ca 0.04 -0.19 0.04 0.00 0.69 0.00 0.00 54.13 54.71 1ure s LEU 89 Cb -0.01 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1ure s LEU 89 CO -0.03 0.31 -0.22 0.68 -0.29 0.00 0.00 176.35 176.80 1ure s VAL 90 N -0.52 2.35 -0.51 1.68 -7.23 -1.18 -0.16 120.40 114.83 1ure s VAL 90 Ca 0.07 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1ure s VAL 90 Cb -0.12 -1.89 0.13 0.00 0.56 0.00 0.00 36.38 35.06 1ure s VAL 90 CO 0.02 0.56 0.31 -0.83 -0.31 0.00 0.00 175.10 174.85 1ure s GLY 91 N -0.09 2.25 0.57 2.32 0.00 0.94 -0.89 107.32 112.42 1ure s GLY 91 Ca -0.05 -2.91 -0.01 0.00 0.00 0.00 0.00 44.72 41.75 1ure s GLY 91 CO 0.04 1.06 0.82 0.54 0.00 0.00 0.00 173.10 175.56 1ure s LYS 92 N 0.49 2.58 -0.32 2.90 1.02 -0.66 0.86 119.74 126.61 1ure s LYS 92 Ca 0.13 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1ure s LYS 92 Cb -0.22 -2.41 0.19 0.00 -0.52 0.00 0.00 37.83 34.87 1ure s LYS 92 CO -0.04 -0.76 0.55 -0.06 -0.92 0.00 0.00 175.35 174.12 1ure s PHE 93 N -2.86 -1.58 0.73 3.18 0.08 0.42 -2.83 117.98 115.12 1ure s PHE 93 Ca 0.56 0.65 -0.11 0.00 0.12 0.00 0.00 56.93 58.15 1ure s PHE 93 Cb -0.10 0.18 0.03 0.00 -0.57 0.00 0.00 43.02 42.56 1ure s PHE 93 CO 0.40 -1.08 1.07 0.15 -0.10 0.00 0.00 175.22 175.66 1ure s LYS 94 N 2.48 2.64 -0.02 0.44 1.02 0.38 -1.05 119.74 125.63 1ure s LYS 94 Ca 0.12 0.90 0.08 0.00 0.02 0.00 0.00 55.97 57.08 1ure s LYS 94 Cb -0.09 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1ure s LYS 94 CO -0.22 -1.29 -0.25 1.03 -0.92 0.00 0.00 175.35 173.70 1ure s ARG 95 N -5.05 2.15 0.12 1.68 3.00 -1.14 0.39 118.95 120.10 1ure s ARG 95 Ca 0.59 -0.91 0.26 0.00 0.00 0.00 0.00 55.73 55.67 1ure s ARG 95 Cb -0.14 -2.07 0.76 0.00 0.00 0.00 0.00 34.95 33.49 1ure s ARG 95 CO 0.55 0.56 1.66 1.33 0.00 0.00 0.00 175.30 179.41 1ure n VAL 96 N 2.43 0.36 1.91 3.52 0.24 -1.24 -0.59 118.33 124.96 1ure n VAL 96 Ca -0.16 -0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.03 1ure n VAL 96 Cb 0.51 -0.38 0.55 0.00 -1.47 0.00 0.00 33.84 33.05 1ure n VAL 96 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ure n ASP 97 N -2.00 0.00 0.00 -1.34 5.75 -1.26 -4.53 116.55 113.17 1ure n ASP 97 Ca 0.05 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1ure n ASP 97 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1ure n ASN 98 N -0.80 0.00 0.00 -1.12 2.04 -1.23 -5.02 115.26 109.13 1ure n ASN 98 Ca 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.28 1ure n ASN 98 Cb 0.06 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 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 -0.12 0.93 0.00 4.83 0.00 0.24 -5.05 105.19 106.03 1ure n GLY 99 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.11 1.33 -3.90 1.61 5.02 -1.25 -4.77 118.16 114.09 1ure n LYS 100 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1ure n LYS 100 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 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 0.45 0.38 -0.20 1.97 2.12 -1.26 -2.90 118.70 119.26 1ure s GLU 101 Ca 0.00 -0.40 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 1ure s GLU 101 Cb 0.00 0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.60 1ure s GLU 101 CO 0.00 -0.08 0.02 -1.17 -0.54 0.00 0.00 175.26 173.49 1ure s LEU 102 N -1.22 1.41 0.41 2.70 2.96 -0.22 -4.51 118.68 120.21 1ure s LEU 102 Ca -0.13 -0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 52.89 1ure s LEU 102 Cb -0.07 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 1ure s LEU 102 CO 0.01 -0.29 0.65 -0.51 -1.32 0.00 0.00 176.35 174.88 1ure s ILE 103 N 1.78 4.75 -0.26 6.68 -1.16 0.81 0.16 121.20 133.96 1ure s ILE 103 Ca -0.02 -0.29 -0.02 0.00 -0.51 0.00 0.00 60.65 59.82 1ure s ILE 103 Cb -0.17 -3.76 0.13 0.00 0.61 0.00 0.00 42.46 39.27 1ure s ILE 103 CO -0.08 -0.58 0.35 0.00 -2.81 0.00 0.00 174.94 171.83 1ure s ALA 104 N -2.50 -0.93 -0.59 1.50 0.00 0.25 0.89 121.76 120.38 1ure s ALA 104 Ca 0.44 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 1ure s ALA 104 Cb -0.10 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.33 1ure s ALA 104 CO 0.39 -1.43 0.92 0.54 0.00 0.00 0.00 175.76 176.18 1ure s VAL 105 N 2.49 4.41 -1.18 0.00 0.11 -1.26 -0.04 120.40 124.94 1ure s VAL 105 Ca 0.11 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.91 1ure s VAL 105 Cb -0.15 -4.57 -0.01 0.00 -1.53 0.00 0.00 36.38 30.13 1ure s VAL 105 CO -0.21 -1.21 1.82 -0.13 -3.33 0.00 0.00 175.10 172.04 1ure s ARG 106 N 3.85 3.15 -1.20 1.54 0.52 0.77 -3.57 118.95 124.01 1ure s ARG 106 Ca 0.26 -1.37 -0.16 0.00 -0.52 0.00 0.00 55.73 53.94 1ure s ARG 106 Cb -0.15 -5.34 0.13 0.00 0.52 0.00 0.00 34.95 30.11 1ure s ARG 106 CO 0.15 -3.12 1.49 -2.00 0.02 0.00 0.00 175.30 171.84 1ure s GLU 107 N 5.57 4.00 -0.58 3.54 -6.30 0.78 -2.41 118.70 123.30 1ure s GLU 107 Ca 0.61 -2.29 -0.26 0.00 -2.50 0.00 0.00 54.97 50.53 1ure s GLU 107 Cb 0.00 -5.19 -0.06 0.00 0.00 0.00 0.00 34.13 28.88 1ure s GLU 107 CO 0.08 -1.92 2.22 0.42 0.02 0.00 0.00 175.26 176.07 1ure s ILE 108 N 2.54 3.14 0.46 -3.70 -1.09 -1.26 -2.66 121.20 118.63 1ure s ILE 108 Ca 0.45 0.04 0.16 0.00 -2.23 0.00 0.00 60.65 59.07 1ure s ILE 108 Cb -0.01 -3.35 0.21 0.00 -1.58 0.00 0.00 42.46 37.73 1ure s ILE 108 CO 0.01 -0.34 2.03 0.77 -1.23 0.00 0.00 174.94 176.18 1ure h SER 109 N 17.04 0.00 0.00 3.58 4.64 -0.08 -3.48 113.55 135.26 1ure h SER 109 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1ure h SER 109 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ure h SER 109 CO 1.17 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.88 1ure n GLY 110 N -1.11 0.42 0.08 -0.77 0.00 -1.26 -4.83 105.19 97.71 1ure n GLY 110 Ca -0.03 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 0.25 -3.74 1.61 4.13 -1.26 -4.66 115.26 111.59 1ure n ASN 111 Ca 0.00 -0.95 -0.23 0.00 1.68 0.00 0.00 54.58 55.08 1ure n ASN 111 Cb 0.00 -0.03 -0.18 0.00 -1.54 0.00 0.00 39.78 38.03 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 -2.09 0.44 0.05 3.52 8.01 -1.26 -3.50 118.70 123.86 1ure s GLU 112 Ca 0.43 0.11 -0.16 0.00 0.01 0.00 0.00 54.97 55.37 1ure s GLU 112 Cb 0.22 -1.01 -0.06 0.00 -4.31 0.00 0.00 34.13 28.96 1ure s GLU 112 CO 0.38 -0.35 0.48 -1.17 0.01 0.00 0.00 175.26 174.61 1ure s LEU 113 N 2.01 4.46 -0.05 1.80 0.20 -1.19 0.70 118.68 126.62 1ure s LEU 113 Ca 0.04 1.06 0.05 0.00 0.69 0.00 0.00 54.13 55.98 1ure s LEU 113 Cb -0.13 -2.81 -0.01 0.00 -0.43 0.00 0.00 46.19 42.81 1ure s LEU 113 CO -0.05 0.27 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.43 1ure s ILE 114 N -1.17 1.73 -0.36 6.68 -1.09 -1.09 -0.05 121.20 125.86 1ure s ILE 114 Ca 0.28 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 1ure s ILE 114 Cb -0.17 -1.47 0.12 0.00 -1.58 0.00 0.00 42.46 39.36 1ure s ILE 114 CO 0.16 0.49 0.16 -1.10 -1.23 0.00 0.00 174.94 173.42 1ure s GLN 115 N -0.12 0.90 0.19 2.79 -0.21 -0.88 -0.16 119.66 122.17 1ure s GLN 115 Ca -0.02 -1.44 -0.03 0.00 0.02 0.00 0.00 55.36 53.89 1ure s GLN 115 Cb -0.12 -2.04 0.05 0.00 1.00 0.00 0.00 33.01 31.89 1ure s GLN 115 CO 0.02 -1.07 0.17 0.25 -2.12 0.00 0.00 175.29 172.54 1ure n THR 116 N 4.29 0.00 -2.74 -0.19 -2.24 -1.23 -2.71 114.28 109.46 1ure n THR 116 Ca 0.03 -0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1ure n THR 116 Cb 0.39 -1.06 0.08 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.84 -2.96 -2.11 4.78 4.01 0.60 -4.28 117.16 114.35 1ure n TYR 117 Ca 0.02 -2.06 -0.42 0.00 -0.16 0.00 0.00 57.90 55.28 1ure n TYR 117 Cb 0.09 1.60 -0.03 0.00 -0.31 0.00 0.00 39.34 40.70 1ure n TYR 117 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ure s THR 118 N 0.34 3.58 0.17 -0.72 2.01 0.26 -3.77 115.64 117.51 1ure s THR 118 Ca 0.24 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.78 1ure s THR 118 Cb 0.28 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 1ure s THR 118 CO -0.10 -0.61 1.44 0.22 -0.69 0.00 0.00 174.62 174.89 1ure h TYR 119 N 12.51 0.63 0.00 4.92 3.20 -1.84 0.23 116.97 136.62 1ure h TYR 119 Ca -0.31 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.30 1ure h TYR 119 Cb 1.15 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1ure h TYR 119 CO 0.98 1.02 0.00 0.39 -1.64 0.00 0.00 178.16 178.90 1ure n GLU 120 N -3.88 0.00 -1.16 1.82 4.71 -1.26 -4.14 120.64 116.73 1ure n GLU 120 Ca -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.12 1ure n GLU 120 Cb 0.68 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 31.11 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ure n GLY 121 N -0.27 0.81 0.83 0.62 0.00 -1.26 -4.85 105.19 101.07 1ure n GLY 121 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1ure n GLY 121 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ure n VAL 122 N 0.28 0.69 0.00 1.61 0.24 -1.26 -4.94 118.33 114.94 1ure n VAL 122 Ca -0.02 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1ure n VAL 122 Cb 0.94 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 1ure n VAL 122 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ure n GLU 123 N 0.93 0.00 -2.11 7.34 2.13 -1.25 -4.73 120.64 122.95 1ure n GLU 123 Ca 0.14 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.94 1ure n GLU 123 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ure n ALA 124 N 0.00 -3.11 -2.06 4.31 0.00 -1.04 0.22 120.51 118.84 1ure n ALA 124 Ca 0.00 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 1ure n ALA 124 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.34 4.75 -0.60 0.00 3.01 0.49 -2.17 119.74 123.89 1ure s LYS 125 Ca 0.07 1.48 0.05 0.00 -1.01 0.00 0.00 55.97 56.56 1ure s LYS 125 Cb -0.02 -3.33 0.19 0.00 -1.01 0.00 0.00 37.83 33.66 1ure s LYS 125 CO 0.37 0.32 0.50 0.54 0.51 0.00 0.00 175.35 177.59 1ure n ARG 126 N 2.26 1.45 -2.29 1.68 1.74 -1.10 0.12 116.66 120.52 1ure n ARG 126 Ca 0.01 -4.10 -0.42 0.00 -0.77 0.00 0.00 57.85 52.56 1ure n ARG 126 Cb 0.48 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.22 3.78 0.21 0.55 -1.09 -1.26 -2.07 121.20 120.10 1ure s ILE 127 Ca 0.30 0.76 -0.14 0.00 -2.23 0.00 0.00 60.65 59.34 1ure s ILE 127 Cb 0.02 -4.16 -0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1ure s ILE 127 CO -0.15 -0.81 0.60 -0.36 -1.23 0.00 0.00 174.94 173.00 1ure s PHE 128 N 5.99 3.52 -2.14 3.97 0.40 0.93 -2.52 117.98 128.14 1ure s PHE 128 Ca 0.62 1.08 0.23 0.00 -0.60 0.00 0.00 56.93 58.26 1ure s PHE 128 Cb -0.14 -2.40 0.58 0.00 0.51 0.00 0.00 43.02 41.57 1ure s PHE 128 CO 0.31 0.32 1.50 1.63 0.70 0.00 0.00 175.22 179.67 1ure n LYS 129 N 0.35 2.67 -0.82 0.44 5.02 -1.21 -3.20 118.16 121.40 1ure n LYS 129 Ca -0.02 -2.56 0.03 0.00 -2.02 0.00 0.00 58.31 53.74 1ure n LYS 129 Cb 0.52 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 1ure n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ure n LYS 130 N 1.62 -2.07 -0.28 1.97 4.81 -1.23 -4.80 118.16 118.18 1ure n LYS 130 Ca 0.23 1.64 0.00 0.00 -0.87 0.00 0.00 58.31 59.31 1ure n LYS 130 Cb 0.62 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66