#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 n GLN 2 N 0.00 0.00 -4.39 2.12 7.27 -1.26 -5.00 117.38 116.11 1m58 n GLN 2 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 1m58 n GLN 2 Cb 0.00 -0.63 -0.09 0.00 2.41 0.00 0.00 30.24 31.93 1m58 n GLN 2 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1m58 s ASN 3 N -3.63 4.10 0.53 1.69 -0.87 -1.26 -4.95 114.94 110.54 1m58 s ASN 3 Ca 0.00 -1.14 0.23 0.00 -1.57 0.00 0.00 52.86 50.38 1m58 s ASN 3 Cb 0.00 -0.46 1.46 0.00 -0.02 0.00 0.00 41.25 42.23 1m58 s ASN 3 CO 0.00 -0.36 2.14 -0.25 -2.57 0.00 0.00 177.10 176.06 1m58 h TRP 4 N 1.74 0.00 0.45 2.20 -0.00 -1.88 -0.99 115.95 117.47 1m58 h TRP 4 Ca -0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.44 1m58 h TRP 4 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1m58 h TRP 4 CO 0.70 0.06 -0.22 0.93 -0.00 0.00 0.00 178.44 179.92 1m58 h GLU 5 N 0.00 -0.59 -0.83 2.65 3.07 -1.95 0.44 114.58 117.37 1m58 h GLU 5 Ca -0.00 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1m58 h GLU 5 Cb 0.14 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1m58 h GLU 5 CO 0.01 -0.28 0.50 1.15 -1.40 0.00 0.00 179.01 178.99 1m58 h THR 6 N -0.96 1.23 0.00 1.13 2.02 -1.92 -0.41 112.91 113.99 1m58 h THR 6 Ca -0.06 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1m58 h THR 6 Cb 0.58 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1m58 h THR 6 CO 0.10 0.24 -0.09 0.15 0.37 0.00 0.00 175.52 176.29 1m58 h PHE 7 N 1.13 0.00 0.03 3.16 3.57 -1.17 -2.78 116.94 120.88 1m58 h PHE 7 Ca 0.30 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1m58 h PHE 7 Cb -0.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1m58 h PHE 7 CO -0.00 0.09 -0.01 1.96 -2.23 0.00 0.00 178.31 178.11 1m58 h GLN 8 N 0.00 -0.04 -0.83 1.11 4.20 0.81 -1.89 115.11 118.47 1m58 h GLN 8 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1m58 h GLN 8 Cb 0.31 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1m58 h GLN 8 CO 0.01 0.60 0.52 0.87 -0.67 0.00 0.00 178.83 180.16 1m58 h LYS 9 N -0.73 1.11 0.00 1.46 6.56 -1.25 0.22 116.57 123.93 1m58 h LYS 9 Ca -0.00 -0.09 -0.21 0.00 -1.06 0.00 0.00 60.65 59.30 1m58 h LYS 9 Cb 0.66 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 1m58 h LYS 9 CO 0.01 0.76 -1.21 0.87 -2.06 0.00 0.00 179.45 177.81 1m58 h LYS 10 N 1.13 0.00 -0.09 3.15 1.57 -1.59 -3.38 116.57 117.36 1m58 h LYS 10 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1m58 h LYS 10 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1m58 h LYS 10 CO -0.06 0.60 0.00 0.72 -0.57 0.00 0.00 179.45 180.14 1m58 n HIS 11 N -3.13 0.12 -4.20 -1.35 8.25 -0.71 -4.65 115.22 109.55 1m58 n HIS 11 Ca -0.07 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.04 1m58 n HIS 11 Cb 0.91 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.90 1m58 n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1m58 s LEU 12 N -0.74 2.45 0.14 2.41 1.02 0.76 -0.05 118.68 124.67 1m58 s LEU 12 Ca 0.10 -0.88 -0.03 0.00 0.02 0.00 0.00 54.13 53.34 1m58 s LEU 12 Cb 0.06 -0.31 -0.03 0.00 0.02 0.00 0.00 46.19 45.93 1m58 s LEU 12 CO 0.09 -0.29 0.12 -0.89 0.02 0.00 0.00 176.35 175.40 1m58 s THR 13 N -2.75 0.09 -0.21 5.49 2.01 0.48 -4.65 115.64 116.10 1m58 s THR 13 Ca 0.09 -1.78 0.10 0.00 0.31 0.00 0.00 61.69 60.41 1m58 s THR 13 Cb -0.01 -2.01 -0.20 0.00 0.01 0.00 0.00 72.50 70.29 1m58 s THR 13 CO -0.00 -0.40 -0.07 0.47 -0.69 0.00 0.00 174.62 173.93 1m58 n ASP 14 N -0.13 1.22 -4.74 3.53 9.92 -1.26 -4.08 116.55 121.00 1m58 n ASP 14 Ca -0.06 -0.06 -0.36 0.00 -0.53 0.00 0.00 54.79 53.79 1m58 n ASP 14 Cb 0.64 0.32 -0.07 0.00 -0.64 0.00 0.00 41.12 41.37 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1m58 s THR 15 N -2.47 5.37 0.33 -3.53 -4.23 -1.26 -4.97 115.64 104.89 1m58 s THR 15 Ca -0.20 0.34 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1m58 s THR 15 Cb 0.07 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.43 1m58 s THR 15 CO 0.67 0.44 1.75 0.08 -0.54 0.00 0.00 174.62 177.01 1m58 h ARG 16 N 6.50 0.08 -2.02 3.99 0.11 -1.96 -3.13 114.38 117.95 1m58 h ARG 16 Ca -0.42 -0.04 -0.74 0.00 0.10 0.00 0.00 59.98 58.88 1m58 h ARG 16 Cb 1.16 -0.00 -0.26 0.00 1.11 0.00 0.00 29.97 31.98 1m58 h ARG 16 CO 0.74 0.50 0.99 -3.47 0.10 0.00 0.00 179.97 178.83 1m58 n ASP 17 N -4.02 7.40 -4.43 0.08 2.03 -1.26 -4.90 116.55 111.45 1m58 n ASP 17 Ca -0.02 -3.75 -0.33 0.00 0.52 0.00 0.00 54.79 51.22 1m58 n ASP 17 Cb 0.47 -1.10 0.13 0.00 -0.72 0.00 0.00 41.12 39.90 1m58 n ASP 17 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1m58 n VAL 18 N -0.32 0.00 -3.59 5.18 3.14 -1.19 -4.95 118.33 116.60 1m58 n VAL 18 Ca 0.53 -0.18 -0.40 0.00 -2.96 0.00 0.00 64.34 61.33 1m58 n VAL 18 Cb 0.27 -0.66 -0.09 0.00 -1.06 0.00 0.00 33.84 32.30 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1m58 s LYS 19 N -3.73 2.51 0.11 1.45 -0.14 -1.26 -4.98 119.74 113.70 1m58 s LYS 19 Ca 0.58 -1.62 -0.29 0.00 -1.36 0.00 0.00 55.97 53.29 1m58 s LYS 19 Cb -0.21 -3.83 -0.09 0.00 -1.68 0.00 0.00 37.83 32.02 1m58 s LYS 19 CO 0.66 -1.07 1.62 0.00 -0.76 0.00 0.00 175.35 175.80 1m58 h ASP 21 N -0.56 0.98 0.73 0.00 5.19 -1.86 0.38 116.42 121.28 1m58 h ASP 21 Ca 0.03 -0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.21 1m58 h ASP 21 Cb 0.58 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1m58 h ASP 21 CO -0.18 0.72 -0.88 0.00 -3.12 0.00 0.00 179.24 175.79 1m58 h ALA 22 N 1.30 0.55 0.08 3.45 0.00 -1.87 -2.84 119.26 119.92 1m58 h ALA 22 Ca 0.31 -0.76 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 1m58 h ALA 22 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1m58 h ALA 22 CO -0.06 1.00 -1.21 1.49 0.00 0.00 0.00 179.25 180.46 1m58 h GLU 23 N 0.05 0.16 -0.65 0.00 4.22 0.14 -3.36 114.58 115.14 1m58 h GLU 23 Ca -0.03 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.11 1m58 h GLU 23 Cb 1.52 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 1m58 h GLU 23 CO 0.12 1.13 0.32 1.98 -2.18 0.00 0.00 179.01 180.39 1m58 h MET 24 N -0.53 0.93 -0.21 1.92 4.05 -0.39 -2.10 114.93 118.61 1m58 h MET 24 Ca -0.28 -0.13 0.06 0.00 -0.28 0.00 0.00 59.70 59.07 1m58 h MET 24 Cb 1.57 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.20 1m58 h MET 24 CO -0.00 0.74 0.26 1.57 0.23 0.00 0.00 176.91 179.70 1m58 h LYS 25 N 0.90 0.00 -6.99 0.39 2.10 -1.67 0.80 116.57 112.10 1m58 h LYS 25 Ca 0.22 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.32 1m58 h LYS 25 Cb 0.11 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 31.61 1m58 h LYS 25 CO -0.03 0.00 0.20 1.17 -2.00 0.00 0.00 179.45 178.80 1m58 n LYS 26 N -3.68 0.64 0.30 0.07 3.00 -0.79 -4.22 118.16 113.48 1m58 n LYS 26 Ca 0.02 0.27 0.16 0.00 -0.00 0.00 0.00 58.31 58.77 1m58 n LYS 26 Cb 0.38 -2.30 0.95 0.00 0.00 0.00 0.00 35.03 34.07 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m58 h ALA 27 N -0.08 1.47 -0.71 3.14 0.00 -1.87 0.82 119.26 122.03 1m58 h ALA 27 Ca -0.48 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.57 1m58 h ALA 27 Cb 1.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1m58 h ALA 27 CO 0.48 -0.01 0.47 1.25 0.00 0.00 0.00 179.25 181.45 1m58 h LEU 28 N 0.00 0.35 0.00 0.00 5.85 -1.88 -3.27 115.31 116.36 1m58 h LEU 28 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1m58 h LEU 28 Cb 0.01 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1m58 h LEU 28 CO -0.00 0.19 -0.99 0.49 -0.34 0.00 0.00 178.44 177.78 1m58 n PHE 29 N -4.47 0.00 -2.45 1.25 3.72 -0.73 -5.06 117.46 109.72 1m58 n PHE 29 Ca 0.13 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.48 1m58 n PHE 29 Cb 0.51 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.07 1m58 n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1m58 n ASP 30 N -2.47 -2.10 -3.48 4.37 -0.08 0.28 -3.84 116.55 109.22 1m58 n ASP 30 Ca 0.00 -0.18 -0.18 0.00 -1.51 0.00 0.00 54.79 52.92 1m58 n ASP 30 Cb 0.50 -1.87 0.08 0.00 2.34 0.00 0.00 41.12 42.17 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m58 s LYS 32 N -5.47 4.24 0.22 0.00 -0.14 -1.25 -4.91 119.74 112.43 1m58 s LYS 32 Ca 0.00 2.37 -0.10 0.00 -1.36 0.00 0.00 55.97 56.88 1m58 s LYS 32 Cb -0.00 -3.05 0.31 0.00 -1.68 0.00 0.00 37.83 33.41 1m58 s LYS 32 CO 0.74 -0.39 1.66 -0.56 -0.76 0.00 0.00 175.35 176.04 1m58 h GLN 33 N 3.98 0.11 -3.64 1.68 3.07 -1.92 -3.44 115.11 114.94 1m58 h GLN 33 Ca -0.48 -0.01 -0.08 0.00 0.09 0.00 0.00 58.65 58.17 1m58 h GLN 33 Cb 1.23 -0.03 -0.14 0.00 0.08 0.00 0.00 27.48 28.62 1m58 h GLN 33 CO 0.71 0.07 -0.27 -1.59 0.09 0.00 0.00 178.83 177.83 1m58 s LYS 34 N -6.15 0.90 -0.06 0.06 -2.85 -1.26 0.11 119.74 110.49 1m58 s LYS 34 Ca -0.13 -0.84 -0.31 0.00 -1.00 0.00 0.00 55.97 53.68 1m58 s LYS 34 Cb 0.19 0.38 0.07 0.00 -2.06 0.00 0.00 37.83 36.41 1m58 s LYS 34 CO 0.74 -0.31 0.70 1.21 0.10 0.00 0.00 175.35 177.79 1m58 s ASN 35 N -2.77 -0.65 -0.39 0.03 3.84 -0.27 -4.98 114.94 109.76 1m58 s ASN 35 Ca 0.03 0.73 -0.04 0.00 0.21 0.00 0.00 52.86 53.79 1m58 s ASN 35 Cb 0.03 0.57 0.09 0.00 -0.55 0.00 0.00 41.25 41.39 1m58 s ASN 35 CO -0.11 -0.58 0.17 -0.89 -2.79 0.00 0.00 177.10 172.90 1m58 s THR 36 N -1.12 3.48 -0.01 -5.21 2.01 -1.26 -0.27 115.64 113.26 1m58 s THR 36 Ca -0.10 -1.72 -0.07 0.00 0.31 0.00 0.00 61.69 60.11 1m58 s THR 36 Cb -0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1m58 s THR 36 CO 0.09 -0.51 0.25 -0.36 -0.69 0.00 0.00 174.62 173.41 1m58 s PHE 37 N 1.24 3.59 0.32 4.92 0.08 0.13 -4.52 117.98 123.74 1m58 s PHE 37 Ca 0.04 0.58 0.08 0.00 0.12 0.00 0.00 56.93 57.75 1m58 s PHE 37 Cb -0.22 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1m58 s PHE 37 CO -0.02 0.64 0.18 0.42 -0.10 0.00 0.00 175.22 176.33 1m58 s ILE 38 N -1.24 3.39 -0.35 0.64 1.01 0.92 -0.07 121.20 125.50 1m58 s ILE 38 Ca 0.25 -1.59 0.02 0.00 0.00 0.00 0.00 60.65 59.33 1m58 s ILE 38 Cb -0.13 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.37 1m58 s ILE 38 CO 0.14 -0.22 0.10 -0.47 0.00 0.00 0.00 174.94 174.49 1m58 s TYR 39 N -2.34 2.67 0.28 3.97 5.04 -1.03 -0.39 117.35 125.54 1m58 s TYR 39 Ca 0.37 -2.41 -0.19 0.00 -2.44 0.00 0.00 57.07 52.40 1m58 s TYR 39 Cb -0.05 -2.30 0.07 0.00 0.35 0.00 0.00 41.96 40.04 1m58 s TYR 39 CO 0.24 -0.89 0.93 0.00 -1.34 0.00 0.00 175.55 174.49 1m58 s ALA 40 N 1.08 -1.21 0.37 3.97 0.00 -1.26 -4.32 121.76 120.39 1m58 s ALA 40 Ca 0.11 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.58 1m58 s ALA 40 Cb -0.19 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1m58 s ALA 40 CO -0.14 -1.03 0.53 1.03 0.00 0.00 0.00 175.76 176.15 1m58 s ARG 41 N -2.18 3.11 0.19 0.00 0.52 -1.26 -4.80 118.95 114.53 1m58 s ARG 41 Ca 0.19 -0.84 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 1m58 s ARG 41 Cb -0.04 -2.74 0.05 0.00 0.52 0.00 0.00 34.95 32.74 1m58 s ARG 41 CO 0.08 -0.03 1.43 -1.00 0.02 0.00 0.00 175.30 175.80 1m58 h PRO 42 N 0.75 0.03 0.02 3.54 0.13 -1.99 -2.24 132.00 132.24 1m58 h PRO 42 Ca -0.46 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.41 1m58 h PRO 42 Cb 1.25 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1m58 h PRO 42 CO 0.54 0.84 -1.05 0.78 -0.23 0.00 0.00 178.00 178.88 1m58 h GLY 43 N 2.35 0.05 1.96 1.56 0.00 -1.98 -0.09 103.07 106.93 1m58 h GLY 43 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1m58 h GLY 43 CO 0.11 0.12 -0.84 -0.09 0.00 0.00 0.00 176.54 175.84 1m58 h ARG 44 N 0.01 0.03 0.08 4.80 2.43 -1.96 -2.87 114.38 116.91 1m58 h ARG 44 Ca -0.03 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 58.79 1m58 h ARG 44 Cb 1.81 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 1m58 h ARG 44 CO 0.14 0.85 -1.67 0.28 -1.51 0.00 0.00 179.97 178.06 1m58 h VAL 45 N 0.02 0.96 -0.67 0.20 2.07 -1.44 -3.32 116.25 114.07 1m58 h VAL 45 Ca -0.02 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.81 1m58 h VAL 45 Cb 1.47 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.81 1m58 h VAL 45 CO 0.11 0.74 0.41 1.56 0.02 0.00 0.00 177.57 180.42 1m58 h GLN 46 N 0.04 0.91 0.00 1.57 4.20 -1.05 -1.30 115.11 119.48 1m58 h GLN 46 Ca -0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 1m58 h GLN 46 Cb 2.01 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.59 1m58 h GLN 46 CO 0.12 0.64 -0.07 0.00 -0.67 0.00 0.00 178.83 178.85 1m58 h ALA 47 N 1.21 1.37 0.00 3.87 0.00 -1.64 -0.41 119.26 123.67 1m58 h ALA 47 Ca 0.24 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1m58 h ALA 47 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1m58 h ALA 47 CO -0.05 0.08 -0.82 1.25 0.00 0.00 0.00 179.25 179.72 1m58 h LEU 48 N 0.00 0.05 -3.19 0.00 5.85 -1.34 -3.25 115.31 113.43 1m58 h LEU 48 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1m58 h LEU 48 Cb 0.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1m58 h LEU 48 CO 0.01 0.84 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 1m58 n LYS 50 N -0.22 2.72 0.00 0.00 3.00 -0.25 -2.98 118.16 120.44 1m58 n LYS 50 Ca 0.20 -3.36 0.00 0.00 -0.00 0.00 0.00 58.31 55.15 1m58 n LYS 50 Cb 0.81 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1m58 n LYS 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1m58 n ASN 51 N -0.84 4.76 -4.22 3.14 6.94 -1.26 -5.03 115.26 118.75 1m58 n ASN 51 Ca 0.61 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.94 1m58 n ASN 51 Cb 0.58 0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 38.44 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1m58 s ILE 52 N -1.94 1.43 -0.19 1.53 1.01 -1.26 -5.04 121.20 116.73 1m58 s ILE 52 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1m58 s ILE 52 Cb 0.00 -1.29 -0.12 0.00 0.01 0.00 0.00 42.46 41.05 1m58 s ILE 52 CO 0.00 0.00 -0.18 -0.38 0.00 0.00 0.00 174.94 174.38 1m58 n ILE 53 N 1.55 1.10 -0.93 2.92 -0.00 -1.26 -2.06 119.36 120.69 1m58 n ILE 53 Ca -0.19 -0.40 -0.21 0.00 -0.00 0.00 0.00 62.75 61.95 1m58 n ILE 53 Cb 0.54 -1.25 0.18 0.00 -0.00 0.00 0.00 39.64 39.10 1m58 n ILE 53 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 1m58 n VAL 54 N -3.16 0.00 -2.94 1.39 0.24 -1.26 0.11 118.33 112.71 1m58 n VAL 54 Ca -0.35 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.34 61.18 1m58 n VAL 54 Cb 0.85 -1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 1m58 n VAL 54 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1m58 s SER 55 N -3.63 6.68 0.22 -1.34 1.04 -1.26 -4.12 113.70 111.28 1m58 s SER 55 Ca 0.50 0.72 -0.13 0.00 0.48 0.00 0.00 55.95 57.52 1m58 s SER 55 Cb -0.05 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1m58 s SER 55 CO 0.38 -0.59 0.45 -0.75 0.98 0.00 0.00 173.24 173.71 1m58 s LYS 56 N 2.93 1.43 -0.17 4.02 2.20 -0.95 -5.01 119.74 124.20 1m58 s LYS 56 Ca 0.33 -1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 54.72 1m58 s LYS 56 Cb -0.14 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1m58 s LYS 56 CO 0.12 -0.59 0.05 -0.80 -0.36 0.00 0.00 175.35 173.77 1m58 s ASN 57 N -2.97 5.57 -0.01 1.43 0.01 -1.26 -0.40 114.94 117.31 1m58 s ASN 57 Ca 0.18 0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.50 1m58 s ASN 57 Cb -0.00 -1.91 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 1m58 s ASN 57 CO 0.05 0.21 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.92 1m58 s VAL 58 N 0.16 1.87 -0.19 1.60 1.01 -0.41 -4.92 120.40 119.51 1m58 s VAL 58 Ca 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1m58 s VAL 58 Cb -0.12 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1m58 s VAL 58 CO 0.01 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.70 1m58 s LEU 59 N -0.68 2.50 0.14 3.92 1.43 -1.26 -1.99 118.68 122.73 1m58 s LEU 59 Ca 0.09 -0.52 -0.34 0.00 -1.03 0.00 0.00 54.13 52.33 1m58 s LEU 59 Cb -0.09 -1.60 -0.14 0.00 0.03 0.00 0.00 46.19 44.39 1m58 s LEU 59 CO -0.00 0.00 1.57 -1.54 0.23 0.00 0.00 176.35 176.60 1m58 n SER 60 N 4.64 2.96 -0.02 2.29 3.41 -1.03 -4.89 113.62 120.97 1m58 n SER 60 Ca -0.20 1.08 -0.17 0.00 -0.26 0.00 0.00 58.87 59.32 1m58 n SER 60 Cb 0.51 -1.40 -0.08 0.00 -0.26 0.00 0.00 64.21 62.98 1m58 n SER 60 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1m58 h THR 61 N 3.68 1.29 -2.23 6.66 1.35 -1.98 -3.42 112.91 118.26 1m58 h THR 61 Ca -0.45 -1.96 -0.45 0.00 -0.55 0.00 0.00 66.41 62.99 1m58 h THR 61 Cb 1.26 2.03 0.01 0.00 -1.73 0.00 0.00 68.15 69.73 1m58 h THR 61 CO 0.88 0.62 -0.27 -1.81 -0.25 0.00 0.00 175.52 174.69 1m58 s ASP 62 N -7.06 6.01 0.07 5.36 1.11 -1.26 -5.01 116.67 115.90 1m58 s ASP 62 Ca -0.11 0.05 -0.23 0.00 0.18 0.00 0.00 52.55 52.44 1m58 s ASP 62 Cb 0.08 -1.49 -0.06 0.00 1.07 0.00 0.00 42.92 42.51 1m58 s ASP 62 CO 0.90 -0.44 0.71 -1.61 1.18 0.00 0.00 175.17 175.90 1m58 s GLU 63 N -4.27 4.44 0.15 8.23 2.02 -1.26 -4.46 118.70 123.55 1m58 s GLU 63 Ca 0.44 0.98 0.09 0.00 0.02 0.00 0.00 54.97 56.50 1m58 s GLU 63 Cb -0.10 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1m58 s GLU 63 CO 0.33 0.43 -0.12 -0.06 0.02 0.00 0.00 175.26 175.86 1m58 s PHE 64 N -0.54 2.61 0.30 1.61 0.08 -0.56 -4.70 117.98 116.77 1m58 s PHE 64 Ca 0.35 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.88 1m58 s PHE 64 Cb -0.21 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 40.83 1m58 s PHE 64 CO 0.22 0.47 1.43 0.71 -0.10 0.00 0.00 175.22 177.95 1m58 s TYR 65 N -1.50 2.92 -0.20 0.36 2.02 -1.26 -1.77 117.35 117.91 1m58 s TYR 65 Ca 0.22 1.14 -0.02 0.00 -0.37 0.00 0.00 57.07 58.05 1m58 s TYR 65 Cb -0.09 -3.84 0.06 0.00 -0.40 0.00 0.00 41.96 37.68 1m58 s TYR 65 CO 0.13 -2.59 0.02 -0.51 -1.57 0.00 0.00 175.55 171.03 1m58 s LEU 66 N -1.14 1.50 -0.45 -1.29 1.43 -0.54 -2.46 118.68 115.73 1m58 s LEU 66 Ca 0.55 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1m58 s LEU 66 Cb -0.43 -0.73 0.07 0.00 0.03 0.00 0.00 46.19 45.13 1m58 s LEU 66 CO 0.50 -0.29 0.35 -0.94 0.23 0.00 0.00 176.35 176.20 1m58 s SER 67 N 1.75 6.00 0.05 2.29 1.04 0.90 -2.39 113.70 123.34 1m58 s SER 67 Ca -0.02 -1.33 0.07 0.00 0.48 0.00 0.00 55.95 55.15 1m58 s SER 67 Cb -0.17 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1m58 s SER 67 CO -0.08 -0.60 -0.16 1.51 0.98 0.00 0.00 173.24 174.90 1m58 s ASP 68 N 2.38 3.95 -0.08 7.02 1.47 -0.75 -0.70 116.67 129.97 1m58 s ASP 68 Ca 0.04 -0.40 -0.03 0.00 1.18 0.00 0.00 52.55 53.34 1m58 s ASP 68 Cb -0.23 -0.68 -0.04 0.00 -0.34 0.00 0.00 42.92 41.63 1m58 s ASP 68 CO 0.06 0.25 0.06 0.00 0.68 0.00 0.00 175.17 176.22 1m58 s ASN 70 N -1.13 0.36 -0.47 0.00 2.20 -0.97 -1.11 114.94 113.82 1m58 s ASN 70 Ca 0.16 -0.15 -0.27 0.00 -0.94 0.00 0.00 52.86 51.66 1m58 s ASN 70 Cb -0.12 -0.01 -0.03 0.00 -2.00 0.00 0.00 41.25 39.09 1m58 s ASN 70 CO 0.06 -0.03 1.98 -0.60 -2.94 0.00 0.00 177.10 175.57 1m58 s ARG 71 N -0.38 2.77 -0.17 3.55 6.06 0.12 -2.78 118.95 128.11 1m58 s ARG 71 Ca -0.02 1.12 0.18 0.00 -2.50 0.00 0.00 55.73 54.52 1m58 s ARG 71 Cb -0.03 -4.37 -0.26 0.00 0.06 0.00 0.00 34.95 30.35 1m58 s ARG 71 CO -0.00 -2.53 0.13 0.44 -2.50 0.00 0.00 175.30 170.83 1m58 n ILE 72 N 7.47 1.18 -3.15 4.11 -5.35 -1.25 -4.93 119.36 117.45 1m58 n ILE 72 Ca 0.25 -0.80 0.05 0.00 -0.27 0.00 0.00 62.75 61.98 1m58 n ILE 72 Cb 0.51 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1m58 n ILE 72 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1m58 s LYS 73 N -2.63 0.23 1.00 6.28 2.36 -1.20 -5.09 119.74 120.69 1m58 s LYS 73 Ca -0.10 0.22 -0.17 0.00 -2.55 0.00 0.00 55.97 53.37 1m58 s LYS 73 Cb 0.07 0.10 -0.09 0.00 -1.05 0.00 0.00 37.83 36.86 1m58 s LYS 73 CO 0.83 -0.43 -0.55 1.47 1.55 0.00 0.00 175.35 178.22 1m58 n LEU 74 N 5.16 -3.97 0.00 5.43 -0.00 -1.26 -3.73 117.00 118.62 1m58 n LEU 74 Ca 0.09 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1m58 n LEU 74 Cb 0.57 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1m58 n LEU 74 CO -0.14 -4.81 0.02 -0.81 -0.00 0.00 0.00 177.39 171.64 1m58 n PRO 75 N 1.16 0.00 -1.24 1.47 -0.04 -1.26 -4.66 135.00 130.44 1m58 n PRO 75 Ca 0.00 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.40 1m58 n PRO 75 Cb 0.58 -0.70 0.14 0.00 -0.04 0.00 0.00 33.50 33.49 1m58 n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m58 s HIS 77 N -3.47 3.47 0.38 0.00 3.76 -1.24 -4.70 115.29 113.48 1m58 s HIS 77 Ca 0.57 -1.61 0.08 0.00 -0.15 0.00 0.00 55.06 53.95 1m58 s HIS 77 Cb 0.47 -3.86 -0.05 0.00 1.11 0.00 0.00 32.58 30.25 1m58 s HIS 77 CO 0.05 -1.06 0.10 0.71 -0.85 0.00 0.00 174.74 173.70 1m58 s TYR 78 N 1.07 2.60 0.26 1.40 2.02 -1.26 -3.23 117.35 120.20 1m58 s TYR 78 Ca 0.13 -0.51 0.11 0.00 -0.37 0.00 0.00 57.07 56.42 1m58 s TYR 78 Cb -0.18 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1m58 s TYR 78 CO -0.03 0.33 -0.12 0.21 -1.57 0.00 0.00 175.55 174.37 1m58 s LYS 79 N -3.82 1.94 -0.10 -0.62 2.47 -1.12 -4.79 119.74 113.70 1m58 s LYS 79 Ca 0.38 -1.57 0.02 0.00 -1.56 0.00 0.00 55.97 53.24 1m58 s LYS 79 Cb 0.02 -1.96 -0.01 0.00 -1.46 0.00 0.00 37.83 34.42 1m58 s LYS 79 CO 0.21 0.36 -0.17 -1.17 0.16 0.00 0.00 175.35 174.73 1m58 s LEU 80 N -3.46 2.48 -0.08 5.43 2.96 -1.26 -2.29 118.68 122.46 1m58 s LEU 80 Ca 0.29 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1m58 s LEU 80 Cb -0.06 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1m58 s LEU 80 CO 0.17 0.20 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.43 1m58 s LYS 81 N 0.14 2.63 -0.21 1.98 2.20 -0.56 -4.96 119.74 120.96 1m58 s LYS 81 Ca -0.09 -0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1m58 s LYS 81 Cb -0.15 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 1m58 s LYS 81 CO 0.06 0.17 -0.08 0.21 -0.36 0.00 0.00 175.35 175.35 1m58 s LYS 82 N 0.34 3.23 -0.14 4.03 2.20 -1.26 -1.80 119.74 126.34 1m58 s LYS 82 Ca -0.15 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.63 1m58 s LYS 82 Cb -0.17 -2.91 0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1m58 s LYS 82 CO 0.07 -0.22 0.37 -1.54 -0.36 0.00 0.00 175.35 173.66 1m58 s SER 83 N 1.42 -0.40 -0.37 1.43 1.04 -1.01 -4.96 113.70 110.86 1m58 s SER 83 Ca 0.05 0.75 -0.20 0.00 0.48 0.00 0.00 55.95 57.04 1m58 s SER 83 Cb -0.14 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1m58 s SER 83 CO -0.06 -0.14 0.61 -0.44 0.98 0.00 0.00 173.24 174.19 1m58 s SER 84 N 0.43 6.38 0.19 7.02 0.01 -1.26 -1.46 113.70 125.00 1m58 s SER 84 Ca -0.02 0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 1m58 s SER 84 Cb -0.04 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1m58 s SER 84 CO -0.02 -0.60 0.40 0.21 0.41 0.00 0.00 173.24 173.64 1m58 s ASN 85 N 1.82 -0.09 0.66 2.44 2.47 -0.73 -4.74 114.94 116.77 1m58 s ASN 85 Ca 0.23 -0.73 -0.11 0.00 0.42 0.00 0.00 52.86 52.66 1m58 s ASN 85 Cb -0.15 0.51 -0.02 0.00 -1.45 0.00 0.00 41.25 40.15 1m58 s ASN 85 CO 0.15 -0.99 1.05 0.42 -3.72 0.00 0.00 177.10 174.01 1m58 s THR 86 N -3.94 4.30 0.02 -5.21 -4.23 -1.26 -1.50 115.64 103.82 1m58 s THR 86 Ca 0.15 0.75 0.01 0.00 -1.18 0.00 0.00 61.69 61.42 1m58 s THR 86 Cb 0.01 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1m58 s THR 86 CO 0.00 -0.98 -0.05 0.27 -0.54 0.00 0.00 174.62 173.32 1m58 s ILE 87 N -3.17 0.36 -0.32 2.99 -4.36 -1.26 -3.56 121.20 111.88 1m58 s ILE 87 Ca 0.56 -0.77 -0.10 0.00 -0.26 0.00 0.00 60.65 60.08 1m58 s ILE 87 Cb -0.12 -0.42 -0.01 0.00 1.25 0.00 0.00 42.46 43.17 1m58 s ILE 87 CO 0.54 -0.28 0.18 0.00 0.24 0.00 0.00 174.94 175.62 1m58 s ILE 89 N 1.63 1.85 -0.31 0.00 -4.36 -0.84 -1.08 121.20 118.10 1m58 s ILE 89 Ca 0.05 -2.22 -0.16 0.00 -0.26 0.00 0.00 60.65 58.06 1m58 s ILE 89 Cb -0.17 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.45 1m58 s ILE 89 CO 0.07 -0.54 0.41 -0.89 0.24 0.00 0.00 174.94 174.23 1m58 s THR 90 N -2.83 5.13 0.16 8.37 2.01 -1.01 -1.29 115.64 126.19 1m58 s THR 90 Ca 0.23 0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 1m58 s THR 90 Cb -0.02 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1m58 s THR 90 CO 0.08 0.00 0.64 0.00 -0.69 0.00 0.00 174.62 174.65 1m58 s GLU 92 N -1.73 0.57 -1.07 0.00 2.12 0.64 -2.23 118.70 117.01 1m58 s GLU 92 Ca 0.38 1.08 -0.05 0.00 0.36 0.00 0.00 54.97 56.74 1m58 s GLU 92 Cb -0.17 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.48 1m58 s GLU 92 CO 0.20 -0.14 0.92 -1.71 -0.54 0.00 0.00 175.26 174.00 1m58 n ASN 93 N 4.38 -4.36 -1.38 -1.70 4.05 0.12 -2.10 115.26 114.27 1m58 n ASN 93 Ca -0.18 -0.47 -0.18 0.00 0.45 0.00 0.00 54.58 54.21 1m58 n ASN 93 Cb 0.57 -4.26 -0.08 0.00 1.23 0.00 0.00 39.78 37.24 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1m58 n LYS 94 N -3.99 -1.41 -3.73 1.20 5.02 -0.87 -4.95 118.16 109.42 1m58 n LYS 94 Ca -0.08 1.13 -0.14 0.00 -2.02 0.00 0.00 58.31 57.20 1m58 n LYS 94 Cb 0.58 -5.47 -0.09 0.00 -0.02 0.00 0.00 35.03 30.04 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1m58 s LEU 95 N -4.08 0.64 0.33 -0.35 0.05 -0.89 -3.99 118.68 110.39 1m58 s LEU 95 Ca 0.00 0.26 -0.19 0.00 0.05 0.00 0.00 54.13 54.25 1m58 s LEU 95 Cb 0.00 1.41 -0.09 0.00 -2.05 0.00 0.00 46.19 45.45 1m58 s LEU 95 CO 0.00 -0.42 0.82 -2.16 -0.55 0.00 0.00 176.35 174.04 1m58 s PRO 96 N -1.08 4.19 0.00 1.48 0.04 -1.26 -0.26 135.00 138.11 1m58 s PRO 96 Ca -0.11 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1m58 s PRO 96 Cb -0.04 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1m58 s PRO 96 CO 0.04 0.17 0.00 1.33 0.04 0.00 0.00 177.00 178.58 1m58 n VAL 97 N -0.10 0.00 -4.30 -0.36 0.24 -1.06 -3.61 118.33 109.14 1m58 n VAL 97 Ca 0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.12 1m58 n VAL 97 Cb 0.53 0.21 -0.13 0.00 -1.47 0.00 0.00 33.84 32.98 1m58 n VAL 97 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1m58 s HIS 98 N 0.00 1.38 -0.49 6.34 3.76 -1.26 -4.06 115.29 120.96 1m58 s HIS 98 Ca 0.00 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.35 1m58 s HIS 98 Cb 0.00 -0.79 0.10 0.00 1.11 0.00 0.00 32.58 33.00 1m58 s HIS 98 CO 0.00 0.08 0.42 0.12 -0.85 0.00 0.00 174.74 174.51 1m58 s PHE 99 N -1.06 3.26 -0.02 1.40 5.36 -1.26 -2.41 117.98 123.24 1m58 s PHE 99 Ca 0.02 -1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 54.80 1m58 s PHE 99 Cb -0.09 -3.39 -0.02 0.00 -0.34 0.00 0.00 43.02 39.18 1m58 s PHE 99 CO 0.02 -0.89 0.29 0.28 -1.46 0.00 0.00 175.22 173.46 1m58 h VAL 100 N 5.85 0.00 -0.46 3.12 2.07 -1.45 -3.50 116.25 121.88 1m58 h VAL 100 Ca -0.28 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1m58 h VAL 100 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1m58 h VAL 100 CO 0.92 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.51 1m58 n ALA 101 N -2.28 0.00 -2.46 1.67 0.00 -0.86 -4.85 120.51 111.73 1m58 n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1m58 n ALA 101 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1m58 n ALA 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m58 n VAL 102 N 0.00 0.00 -0.23 0.00 0.24 -1.26 -0.15 118.33 116.93 1m58 n VAL 102 Ca 0.00 0.00 0.32 0.00 -2.04 0.00 0.00 64.34 62.62 1m58 n VAL 102 Cb 0.00 0.00 0.69 0.00 -1.47 0.00 0.00 33.84 33.06 1m58 n VAL 102 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1m58 h GLU 103 N 0.00 0.00 -4.88 7.34 4.81 -1.93 -3.32 114.58 116.61 1m58 h GLU 103 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1m58 h GLU 103 Cb 0.00 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 1m58 h GLU 103 CO 0.00 0.00 -0.65 -1.21 -0.73 0.00 0.00 179.01 176.42 1m58 s GLU 104 N -4.74 3.24 -0.46 1.92 8.01 -1.26 -5.02 118.70 120.39 1m58 s GLU 104 Ca -0.04 -0.75 -0.16 0.00 0.01 0.00 0.00 54.97 54.03 1m58 s GLU 104 Cb 0.19 -3.27 0.06 0.00 -4.31 0.00 0.00 34.13 26.80 1m58 s GLU 104 CO 0.67 -0.34 0.42 0.00 0.01 0.00 0.00 175.26 176.02