#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 s GLN 2 N 0.00 1.05 0.00 2.12 -0.21 -1.26 -4.96 119.66 116.40 1m58 s GLN 2 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.70 1m58 s GLN 2 Cb 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.70 1m58 s GLN 2 CO 0.00 -0.63 0.00 0.09 -2.12 0.00 0.00 175.29 172.63 1m58 n ASN 3 N 4.89 1.79 0.00 5.90 4.13 -1.26 -4.91 115.26 125.79 1m58 n ASN 3 Ca -0.10 -0.46 -0.09 0.00 1.68 0.00 0.00 54.58 55.61 1m58 n ASN 3 Cb 0.46 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 1m58 n ASN 3 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1m58 h TRP 4 N 0.46 -0.35 -0.85 3.10 -0.00 -1.90 0.15 115.95 116.56 1m58 h TRP 4 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1m58 h TRP 4 Cb 0.00 0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 29.28 1m58 h TRP 4 CO 0.00 -0.21 0.55 1.49 -0.00 0.00 0.00 178.44 180.27 1m58 h GLU 5 N -0.18 1.04 -0.39 2.65 4.22 -1.96 -0.09 114.58 119.87 1m58 h GLU 5 Ca 0.09 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.41 1m58 h GLU 5 Cb 0.30 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1m58 h GLU 5 CO -0.22 0.69 0.02 1.15 -2.18 0.00 0.00 179.01 178.47 1m58 h THR 6 N 1.07 1.25 0.75 0.32 2.02 -1.76 -1.93 112.91 114.64 1m58 h THR 6 Ca 0.34 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1m58 h THR 6 Cb 0.00 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1m58 h THR 6 CO -0.12 0.32 -0.36 0.15 0.37 0.00 0.00 175.52 175.89 1m58 h PHE 7 N 0.51 -0.93 -0.73 3.16 3.57 -0.24 -2.70 116.94 119.58 1m58 h PHE 7 Ca 0.11 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.78 1m58 h PHE 7 Cb 0.43 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1m58 h PHE 7 CO 0.03 -0.56 0.50 0.37 -2.23 0.00 0.00 178.31 176.43 1m58 h GLN 8 N -1.13 0.16 0.18 1.11 4.15 -1.05 0.27 115.11 118.79 1m58 h GLN 8 Ca -0.10 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1m58 h GLN 8 Cb 0.79 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1m58 h GLN 8 CO 0.17 0.11 -0.09 0.87 -1.93 0.00 0.00 178.83 177.96 1m58 h LYS 9 N 0.17 -0.23 0.00 1.69 1.57 -1.14 -2.34 116.57 116.29 1m58 h LYS 9 Ca 0.35 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1m58 h LYS 9 Cb 1.15 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1m58 h LYS 9 CO -0.06 -0.15 -0.08 0.87 -0.57 0.00 0.00 179.45 179.46 1m58 h LYS 10 N -0.43 0.00 0.00 3.15 1.57 -1.43 -3.36 116.57 116.07 1m58 h LYS 10 Ca -0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.38 1m58 h LYS 10 Cb 0.18 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1m58 h LYS 10 CO 0.04 0.00 -2.41 0.72 -0.57 0.00 0.00 179.45 177.23 1m58 n HIS 11 N -3.07 0.00 -4.01 -1.35 8.25 0.93 -4.63 115.22 111.34 1m58 n HIS 11 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 1m58 n HIS 11 Cb 0.53 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.58 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 -5.70 3.18 0.27 2.41 1.02 -0.88 -0.23 118.68 118.75 1m58 s LEU 12 Ca -0.15 -0.99 -0.20 0.00 0.02 0.00 0.00 54.13 52.81 1m58 s LEU 12 Cb 0.07 -1.59 0.02 0.00 0.02 0.00 0.00 46.19 44.71 1m58 s LEU 12 CO 0.78 -0.54 0.67 -0.89 0.02 0.00 0.00 176.35 176.39 1m58 s THR 13 N -2.56 0.00 -0.15 5.49 2.01 0.55 -4.56 115.64 116.42 1m58 s THR 13 Ca 0.42 -0.98 0.14 0.00 0.31 0.00 0.00 61.69 61.58 1m58 s THR 13 Cb 0.02 -1.95 0.37 0.00 0.01 0.00 0.00 72.50 70.95 1m58 s THR 13 CO 0.24 -0.00 1.18 0.47 -0.69 0.00 0.00 174.62 175.82 1m58 n ASP 14 N -0.44 1.66 -3.71 3.53 9.92 -1.26 -3.05 116.55 123.20 1m58 n ASP 14 Ca -0.05 -3.34 -0.22 0.00 -0.53 0.00 0.00 54.79 50.65 1m58 n ASP 14 Cb 0.60 -0.46 -0.18 0.00 -0.64 0.00 0.00 41.12 40.45 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 -2.52 0.10 0.12 -3.53 -4.23 -1.26 -5.01 115.64 99.30 1m58 s THR 15 Ca 0.34 0.26 0.15 0.00 -1.18 0.00 0.00 61.69 61.27 1m58 s THR 15 Cb 0.33 -0.34 0.06 0.00 1.34 0.00 0.00 72.50 73.89 1m58 s THR 15 CO -0.06 0.19 1.61 0.03 -0.54 0.00 0.00 174.62 175.85 1m58 h ARG 16 N 8.39 0.00 -1.95 3.99 3.08 -1.98 -3.22 114.38 122.69 1m58 h ARG 16 Ca -0.15 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.28 1m58 h ARG 16 Cb 1.12 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.95 1m58 h ARG 16 CO 0.20 0.50 0.71 -3.47 -1.07 0.00 0.00 179.97 176.85 1m58 n ASP 17 N -3.50 7.00 -4.41 7.04 2.03 -1.26 -5.01 116.55 118.44 1m58 n ASP 17 Ca 0.00 -3.51 -0.33 0.00 0.52 0.00 0.00 54.79 51.47 1m58 n ASP 17 Cb 0.61 -1.14 0.12 0.00 -0.72 0.00 0.00 41.12 39.99 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1m58 n VAL 18 N 0.16 0.00 -3.80 5.18 0.31 -1.22 -4.99 118.33 113.96 1m58 n VAL 18 Ca 0.51 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 64.35 1m58 n VAL 18 Cb 0.41 -0.62 -0.14 0.00 -0.91 0.00 0.00 33.84 32.58 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1m58 s LYS 19 N -3.63 1.23 0.39 5.55 1.02 -1.26 -4.99 119.74 118.05 1m58 s LYS 19 Ca 0.57 -1.77 0.08 0.00 0.02 0.00 0.00 55.97 54.87 1m58 s LYS 19 Cb -0.21 -2.51 0.84 0.00 -0.52 0.00 0.00 37.83 35.44 1m58 s LYS 19 CO 0.67 -1.06 2.00 0.00 -0.92 0.00 0.00 175.35 176.04 1m58 h ASP 21 N 0.61 0.23 1.61 0.00 2.03 -1.90 -1.42 116.42 117.58 1m58 h ASP 21 Ca 0.25 -0.80 -0.05 0.00 -0.73 0.00 0.00 57.03 55.70 1m58 h ASP 21 Cb 0.20 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1m58 h ASP 21 CO -0.07 1.00 -0.23 0.00 -1.03 0.00 0.00 179.24 178.91 1m58 h ALA 22 N 0.24 0.87 0.00 4.15 0.00 -1.83 -2.81 119.26 119.87 1m58 h ALA 22 Ca -0.04 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1m58 h ALA 22 Cb 1.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1m58 h ALA 22 CO 0.05 0.29 -0.80 1.49 0.00 0.00 0.00 179.25 180.28 1m58 h GLU 23 N 0.00 0.00 -0.71 0.00 4.81 -0.48 -3.38 114.58 114.82 1m58 h GLU 23 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1m58 h GLU 23 Cb 1.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1m58 h GLU 23 CO 0.03 0.68 0.30 1.98 -0.73 0.00 0.00 179.01 181.26 1m58 h MET 24 N -1.00 1.03 -0.20 1.92 4.05 -1.39 -2.58 114.93 116.76 1m58 h MET 24 Ca -0.19 -0.17 0.06 0.00 -0.28 0.00 0.00 59.70 59.13 1m58 h MET 24 Cb 0.97 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 1m58 h MET 24 CO -0.11 0.83 0.24 1.57 0.23 0.00 0.00 176.91 179.67 1m58 h LYS 25 N 1.02 0.00 -7.12 0.39 5.09 -1.66 0.54 116.57 114.83 1m58 h LYS 25 Ca 0.24 0.00 -0.43 0.00 0.09 0.00 0.00 60.65 60.55 1m58 h LYS 25 Cb 0.17 0.00 0.21 0.00 0.10 0.00 0.00 32.23 32.71 1m58 h LYS 25 CO -0.02 0.00 -0.02 0.15 -2.09 0.00 0.00 179.45 177.47 1m58 s LYS 26 N -4.58 -1.36 0.30 0.07 1.02 -0.97 -4.17 119.74 110.05 1m58 s LYS 26 Ca -0.05 0.71 0.05 0.00 0.02 0.00 0.00 55.97 56.70 1m58 s LYS 26 Cb 0.15 -1.51 0.48 0.00 -0.52 0.00 0.00 37.83 36.43 1m58 s LYS 26 CO 0.52 -3.98 1.74 0.00 -0.92 0.00 0.00 175.35 172.71 1m58 h ALA 27 N -2.80 1.16 -0.60 5.17 0.00 -1.88 0.83 119.26 121.14 1m58 h ALA 27 Ca -0.60 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.12 1m58 h ALA 27 Cb 1.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1m58 h ALA 27 CO 0.48 0.54 0.60 1.25 0.00 0.00 0.00 179.25 182.12 1m58 h LEU 28 N 0.28 0.00 0.00 0.00 5.85 -1.90 -3.18 115.31 116.37 1m58 h LEU 28 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1m58 h LEU 28 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1m58 h LEU 28 CO 0.05 0.00 -0.62 0.49 -0.34 0.00 0.00 178.44 178.02 1m58 n PHE 29 N -3.74 0.00 -2.98 1.25 3.72 -1.11 -5.05 117.46 109.54 1m58 n PHE 29 Ca 0.12 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.41 1m58 n PHE 29 Cb 0.83 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.41 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 -1.95 -3.79 -3.15 4.37 -0.08 0.29 -3.47 116.55 108.76 1m58 n ASP 30 Ca 0.00 -0.27 -0.16 0.00 -1.51 0.00 0.00 54.79 52.84 1m58 n ASP 30 Cb 0.31 -2.74 0.08 0.00 2.34 0.00 0.00 41.12 41.11 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 -5.41 3.99 0.18 0.00 1.02 -1.23 -4.91 119.74 113.39 1m58 s LYS 32 Ca 0.12 2.40 -0.18 0.00 0.02 0.00 0.00 55.97 58.33 1m58 s LYS 32 Cb -0.05 -2.85 0.13 0.00 -0.52 0.00 0.00 37.83 34.54 1m58 s LYS 32 CO 0.64 -0.56 1.63 -0.56 -0.92 0.00 0.00 175.35 175.58 1m58 h GLN 33 N 2.79 -0.08 -3.15 1.68 3.07 -1.93 -3.44 115.11 114.04 1m58 h GLN 33 Ca -0.50 0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.12 1m58 h GLN 33 Cb 1.25 0.02 -0.20 0.00 0.08 0.00 0.00 27.48 28.62 1m58 h GLN 33 CO 0.63 -0.05 -0.32 -1.59 0.09 0.00 0.00 178.83 177.58 1m58 s LYS 34 N -6.16 0.63 -0.03 0.06 -2.85 -1.26 -0.23 119.74 109.90 1m58 s LYS 34 Ca -0.14 -0.26 -0.15 0.00 -1.00 0.00 0.00 55.97 54.42 1m58 s LYS 34 Cb 0.16 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 36.23 1m58 s LYS 34 CO 0.71 -0.17 0.33 1.21 0.10 0.00 0.00 175.35 177.53 1m58 s ASN 35 N -1.38 -0.23 -0.20 0.03 2.47 0.43 -4.98 114.94 111.08 1m58 s ASN 35 Ca -0.14 0.19 -0.08 0.00 0.42 0.00 0.00 52.86 53.26 1m58 s ASN 35 Cb -0.06 0.37 -0.04 0.00 -1.45 0.00 0.00 41.25 40.08 1m58 s ASN 35 CO 0.03 -0.41 0.07 -0.89 -3.72 0.00 0.00 177.10 172.18 1m58 s THR 36 N -1.13 4.75 0.24 -5.21 2.01 -1.26 -0.32 115.64 114.72 1m58 s THR 36 Ca -0.12 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 61.93 1m58 s THR 36 Cb -0.05 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1m58 s THR 36 CO 0.04 0.43 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.90 1m58 s PHE 37 N 0.65 1.92 0.12 4.92 0.08 0.57 -4.42 117.98 121.82 1m58 s PHE 37 Ca 0.04 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 1m58 s PHE 37 Cb -0.13 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 1m58 s PHE 37 CO 0.02 0.45 0.04 0.42 -0.10 0.00 0.00 175.22 176.04 1m58 s ILE 38 N -2.85 0.16 -0.23 0.64 1.01 0.68 -1.07 121.20 119.55 1m58 s ILE 38 Ca 0.26 -1.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.00 1m58 s ILE 38 Cb -0.01 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1m58 s ILE 38 CO 0.10 -0.57 -0.09 -0.31 0.00 0.00 0.00 174.94 174.07 1m58 s TYR 39 N -4.00 2.98 -0.22 3.97 2.02 -1.02 -0.33 117.35 120.75 1m58 s TYR 39 Ca 0.21 -1.44 -0.36 0.00 -0.37 0.00 0.00 57.07 55.11 1m58 s TYR 39 Cb 0.07 -2.04 0.15 0.00 -0.40 0.00 0.00 41.96 39.74 1m58 s TYR 39 CO -0.00 -0.71 1.29 0.00 -1.57 0.00 0.00 175.55 174.56 1m58 s ALA 40 N 1.35 -2.15 0.29 3.71 0.00 -1.17 -4.60 121.76 119.18 1m58 s ALA 40 Ca 0.02 1.65 0.06 0.00 0.00 0.00 0.00 51.96 53.69 1m58 s ALA 40 Cb -0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1m58 s ALA 40 CO -0.06 -0.62 0.38 1.03 0.00 0.00 0.00 175.76 176.48 1m58 s ARG 41 N -2.25 3.17 0.27 0.00 0.52 -1.26 -4.65 118.95 114.76 1m58 s ARG 41 Ca 0.11 -0.95 0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1m58 s ARG 41 Cb -0.00 -2.78 0.34 0.00 0.52 0.00 0.00 34.95 33.03 1m58 s ARG 41 CO -0.04 0.25 1.59 -1.00 0.02 0.00 0.00 175.30 176.11 1m58 h PRO 42 N 1.11 0.00 0.09 3.54 0.13 -1.99 -2.02 132.00 132.86 1m58 h PRO 42 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 1m58 h PRO 42 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1m58 h PRO 42 CO 0.57 0.61 -1.30 0.78 -0.23 0.00 0.00 178.00 178.44 1m58 h GLY 43 N 2.13 0.22 2.00 1.56 0.00 -1.99 -2.31 103.07 104.68 1m58 h GLY 43 Ca -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1m58 h GLY 43 CO 0.08 0.49 -0.42 3.21 0.00 0.00 0.00 176.54 179.91 1m58 h ARG 44 N 0.05 0.00 0.00 4.80 3.08 -1.96 -3.25 114.38 117.10 1m58 h ARG 44 Ca -0.15 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.63 1m58 h ARG 44 Cb 1.94 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.95 1m58 h ARG 44 CO 0.17 0.42 -1.56 0.28 -1.07 0.00 0.00 179.97 178.20 1m58 h VAL 45 N 0.00 0.96 -1.00 2.04 2.07 -1.45 -3.34 116.25 115.54 1m58 h VAL 45 Ca -0.00 -2.77 0.10 0.00 0.82 0.00 0.00 66.70 64.85 1m58 h VAL 45 Cb 1.28 2.46 -0.08 0.00 -1.52 0.00 0.00 31.29 33.44 1m58 h VAL 45 CO 0.05 0.55 0.64 -0.61 0.02 0.00 0.00 177.57 178.22 1m58 h GLN 46 N 0.00 1.02 -0.29 1.57 5.75 -1.44 0.96 115.11 122.67 1m58 h GLN 46 Ca -0.23 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 1m58 h GLN 46 Cb 1.94 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 30.25 1m58 h GLN 46 CO 0.09 0.67 -0.05 0.00 -2.65 0.00 0.00 178.83 176.89 1m58 h ALA 47 N 1.52 1.38 0.00 3.38 0.00 -1.68 0.72 119.26 124.58 1m58 h ALA 47 Ca 0.47 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1m58 h ALA 47 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1m58 h ALA 47 CO -0.23 0.43 -0.38 1.25 0.00 0.00 0.00 179.25 180.32 1m58 h LEU 48 N 0.44 0.00 -2.96 0.00 5.85 -0.97 -3.20 115.31 114.47 1m58 h LEU 48 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1m58 h LEU 48 Cb 0.36 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1m58 h LEU 48 CO 0.02 0.38 -0.06 0.00 -0.34 0.00 0.00 178.44 178.44 1m58 n LYS 50 N -1.35 2.63 0.00 0.00 4.76 0.24 -3.50 118.16 120.94 1m58 n LYS 50 Ca 0.15 -3.14 0.00 0.00 -2.87 0.00 0.00 58.31 52.45 1m58 n LYS 50 Cb 0.65 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1m58 n LYS 50 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1m58 n ASN 51 N -0.18 2.02 -4.54 4.39 6.94 -1.26 -5.01 115.26 117.62 1m58 n ASN 51 Ca 0.53 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.76 1m58 n ASN 51 Cb 0.36 0.03 -0.12 0.00 -2.36 0.00 0.00 39.78 37.69 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 -1.49 3.41 -0.21 1.53 1.01 -1.26 -5.01 121.20 119.17 1m58 s ILE 52 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1m58 s ILE 52 Cb 0.00 -2.40 -0.15 0.00 0.01 0.00 0.00 42.46 39.92 1m58 s ILE 52 CO 0.00 0.52 -0.17 -0.38 0.00 0.00 0.00 174.94 174.91 1m58 n ILE 53 N 2.01 1.24 -1.37 2.92 2.08 -1.26 -2.42 119.36 122.56 1m58 n ILE 53 Ca -0.17 -0.50 -0.22 0.00 0.56 0.00 0.00 62.75 62.42 1m58 n ILE 53 Cb 0.53 -1.21 0.17 0.00 -0.75 0.00 0.00 39.64 38.37 1m58 n ILE 53 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1m58 n VAL 54 N -3.10 0.00 -2.90 1.39 0.24 -1.26 0.11 118.33 112.82 1m58 n VAL 54 Ca -0.38 -0.59 -0.42 0.00 -2.04 0.00 0.00 64.34 60.92 1m58 n VAL 54 Cb 0.92 -1.44 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 1m58 n VAL 54 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1m58 s SER 55 N -4.30 6.67 0.30 -1.34 0.15 -1.26 -3.97 113.70 109.96 1m58 s SER 55 Ca 0.56 0.63 -0.04 0.00 0.70 0.00 0.00 55.95 57.80 1m58 s SER 55 Cb -0.03 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 1m58 s SER 55 CO 0.41 -0.69 0.43 -0.54 1.20 0.00 0.00 173.24 174.04 1m58 s LYS 56 N 3.11 1.74 -0.12 5.44 1.02 -0.42 -5.00 119.74 125.51 1m58 s LYS 56 Ca 0.34 -1.64 -0.02 0.00 0.02 0.00 0.00 55.97 54.67 1m58 s LYS 56 Cb -0.13 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.57 1m58 s LYS 56 CO 0.14 -0.71 -0.06 -0.80 -0.92 0.00 0.00 175.35 173.01 1m58 s ASN 57 N -3.19 4.66 0.13 2.83 0.02 -1.26 -0.27 114.94 117.86 1m58 s ASN 57 Ca 0.30 -0.11 0.05 0.00 -1.02 0.00 0.00 52.86 52.08 1m58 s ASN 57 Cb 0.01 -1.56 -0.04 0.00 0.02 0.00 0.00 41.25 39.67 1m58 s ASN 57 CO 0.17 0.24 -0.12 0.54 0.02 0.00 0.00 177.10 177.94 1m58 s VAL 58 N -0.05 1.26 -0.17 1.60 0.11 -0.50 -4.90 120.40 117.75 1m58 s VAL 58 Ca 0.01 -1.83 0.01 0.00 -2.93 0.00 0.00 61.98 57.24 1m58 s VAL 58 Cb -0.13 -1.62 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 1m58 s VAL 58 CO 0.03 -0.53 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.37 1m58 s LEU 59 N -2.69 1.98 0.00 2.54 1.43 -1.26 -1.80 118.68 118.87 1m58 s LEU 59 Ca 0.11 -0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 1m58 s LEU 59 Cb -0.02 -1.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 1m58 s LEU 59 CO 0.02 -0.08 1.94 -1.54 0.23 0.00 0.00 176.35 176.92 1m58 n SER 60 N 4.71 3.94 0.02 2.29 3.41 -1.01 -4.85 113.62 122.13 1m58 n SER 60 Ca -0.17 0.93 -0.06 0.00 -0.26 0.00 0.00 58.87 59.31 1m58 n SER 60 Cb 0.49 -1.48 0.13 0.00 -0.26 0.00 0.00 64.21 63.09 1m58 n SER 60 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1m58 h THR 61 N 5.55 1.30 -3.44 6.66 2.02 -1.98 -3.41 112.91 119.61 1m58 h THR 61 Ca -0.49 -1.57 -0.49 0.00 0.77 0.00 0.00 66.41 64.62 1m58 h THR 61 Cb 1.25 1.59 0.02 0.00 -1.74 0.00 0.00 68.15 69.27 1m58 h THR 61 CO 0.94 0.49 0.03 -1.81 0.37 0.00 0.00 175.52 175.55 1m58 s ASP 62 N -6.86 6.35 0.16 4.18 1.01 -1.26 -4.99 116.67 115.26 1m58 s ASP 62 Ca -0.07 0.88 -0.21 0.00 0.71 0.00 0.00 52.55 53.86 1m58 s ASP 62 Cb 0.13 -2.22 -0.08 0.00 1.01 0.00 0.00 42.92 41.76 1m58 s ASP 62 CO 0.81 -0.45 0.69 -1.61 0.21 0.00 0.00 175.17 174.82 1m58 s GLU 63 N -4.32 4.31 0.08 8.23 2.02 -1.26 -4.53 118.70 123.23 1m58 s GLU 63 Ca 0.47 0.89 0.08 0.00 0.02 0.00 0.00 54.97 56.43 1m58 s GLU 63 Cb -0.10 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 1m58 s GLU 63 CO 0.39 0.51 -0.21 -0.06 0.02 0.00 0.00 175.26 175.91 1m58 s PHE 64 N -1.31 1.85 -0.13 1.61 0.08 -1.08 -4.81 117.98 114.20 1m58 s PHE 64 Ca 0.37 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 1m58 s PHE 64 Cb -0.19 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1m58 s PHE 64 CO 0.22 0.18 1.17 0.71 -0.10 0.00 0.00 175.22 177.39 1m58 s TYR 65 N -1.02 3.15 -0.22 0.36 1.51 -1.26 -1.73 117.35 118.13 1m58 s TYR 65 Ca 0.07 1.24 -0.02 0.00 -1.01 0.00 0.00 57.07 57.36 1m58 s TYR 65 Cb -0.10 -3.39 0.01 0.00 -0.11 0.00 0.00 41.96 38.38 1m58 s TYR 65 CO 0.03 -1.15 -0.09 -0.51 -1.11 0.00 0.00 175.55 172.73 1m58 s LEU 66 N 2.78 2.84 -0.21 -1.29 1.43 -0.45 -2.44 118.68 121.34 1m58 s LEU 66 Ca 0.52 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1m58 s LEU 66 Cb -0.21 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1m58 s LEU 66 CO 0.16 -0.06 -0.05 -0.94 0.23 0.00 0.00 176.35 175.69 1m58 s SER 67 N 1.36 4.30 0.03 2.29 1.04 -0.23 -2.29 113.70 120.21 1m58 s SER 67 Ca 0.03 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.15 1m58 s SER 67 Cb -0.15 -1.73 -0.02 0.00 0.10 0.00 0.00 66.02 64.22 1m58 s SER 67 CO -0.06 0.01 -0.16 1.51 0.98 0.00 0.00 173.24 175.52 1m58 s ASP 68 N 1.28 1.95 -0.15 7.02 -4.77 -1.00 -0.31 116.67 120.70 1m58 s ASP 68 Ca 0.03 -0.45 -0.09 0.00 -3.30 0.00 0.00 52.55 48.74 1m58 s ASP 68 Cb -0.14 -0.15 -0.05 0.00 -1.09 0.00 0.00 42.92 41.49 1m58 s ASP 68 CO -0.02 0.10 0.16 0.00 0.70 0.00 0.00 175.17 176.11 1m58 s ASN 70 N -0.34 1.78 -0.49 0.00 2.20 -0.79 -0.43 114.94 116.88 1m58 s ASN 70 Ca 0.13 -0.35 -0.26 0.00 -0.94 0.00 0.00 52.86 51.43 1m58 s ASN 70 Cb -0.12 -0.17 -0.06 0.00 -2.00 0.00 0.00 41.25 38.91 1m58 s ASN 70 CO 0.02 0.13 2.30 -0.60 -2.94 0.00 0.00 177.10 176.01 1m58 s ARG 71 N -0.68 2.28 -0.07 3.55 3.00 0.68 -2.82 118.95 124.88 1m58 s ARG 71 Ca 0.05 1.33 0.13 0.00 -1.00 0.00 0.00 55.73 56.24 1m58 s ARG 71 Cb -0.07 -4.53 -0.19 0.00 0.00 0.00 0.00 34.95 30.16 1m58 s ARG 71 CO 0.00 -3.09 0.18 0.44 0.00 0.00 0.00 175.30 172.84 1m58 n ILE 72 N 7.85 0.44 -3.15 4.11 -5.35 -1.26 -4.96 119.36 117.03 1m58 n ILE 72 Ca 0.33 -0.44 0.05 0.00 -0.27 0.00 0.00 62.75 62.42 1m58 n ILE 72 Cb 0.54 -0.22 -0.01 0.00 -1.74 0.00 0.00 39.64 38.20 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 -2.67 0.18 1.05 6.28 2.36 -1.15 -5.06 119.74 120.73 1m58 s LYS 73 Ca -0.06 0.24 -0.16 0.00 -2.55 0.00 0.00 55.97 53.44 1m58 s LYS 73 Cb 0.07 0.12 0.07 0.00 -1.05 0.00 0.00 37.83 37.04 1m58 s LYS 73 CO 0.57 -0.28 0.11 1.28 1.55 0.00 0.00 175.35 178.58 1m58 n LEU 74 N 5.28 -1.60 -0.01 5.43 7.99 -1.26 -3.34 117.00 129.49 1m58 n LEU 74 Ca 0.02 0.06 -0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1m58 n LEU 74 Cb 0.56 -1.04 -0.00 0.00 -0.11 0.00 0.00 43.42 42.83 1m58 n LEU 74 CO -0.13 -3.36 0.01 1.55 -1.51 0.00 0.00 177.39 173.95 1m58 h PRO 75 N -1.83 -0.00 -0.47 3.23 0.13 -2.02 -3.41 132.00 127.64 1m58 h PRO 75 Ca -0.49 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 1m58 h PRO 75 Cb 1.33 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 1m58 h PRO 75 CO 0.36 -0.00 0.06 0.00 -0.23 0.00 0.00 178.00 178.19 1m58 s HIS 77 N -3.21 3.23 0.49 0.00 3.76 -1.21 -4.01 115.29 114.34 1m58 s HIS 77 Ca 0.47 -1.27 0.04 0.00 -0.15 0.00 0.00 55.06 54.15 1m58 s HIS 77 Cb 0.41 -3.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.27 1m58 s HIS 77 CO 0.03 -1.04 0.12 0.71 -0.85 0.00 0.00 174.74 173.71 1m58 s TYR 78 N 1.67 2.01 0.13 1.40 2.02 -1.26 -2.94 117.35 120.38 1m58 s TYR 78 Ca 0.04 -0.84 0.09 0.00 -0.37 0.00 0.00 57.07 55.99 1m58 s TYR 78 Cb -0.30 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1m58 s TYR 78 CO 0.03 0.10 -0.19 0.21 -1.57 0.00 0.00 175.55 174.13 1m58 s LYS 79 N -3.95 1.74 -0.07 -0.62 2.20 -1.13 -4.88 119.74 113.03 1m58 s LYS 79 Ca 0.21 -1.25 0.01 0.00 -0.36 0.00 0.00 55.97 54.59 1m58 s LYS 79 Cb 0.02 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 1m58 s LYS 79 CO 0.12 0.46 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.31 1m58 s LEU 80 N -2.27 3.06 -0.27 5.43 2.96 -1.26 -1.89 118.68 124.43 1m58 s LEU 80 Ca 0.19 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1m58 s LEU 80 Cb -0.10 -1.66 0.07 0.00 0.50 0.00 0.00 46.19 45.00 1m58 s LEU 80 CO 0.10 0.35 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.69 1m58 s LYS 81 N -0.76 1.80 -0.20 1.98 2.47 -0.56 -4.93 119.74 119.55 1m58 s LYS 81 Ca 0.12 -1.32 -0.06 0.00 -1.56 0.00 0.00 55.97 53.15 1m58 s LYS 81 Cb -0.11 -2.80 -0.03 0.00 -1.46 0.00 0.00 37.83 33.43 1m58 s LYS 81 CO 0.01 -0.67 0.03 0.21 0.16 0.00 0.00 175.35 175.08 1m58 s LYS 82 N 1.19 3.73 -0.16 4.03 2.20 -1.25 -2.37 119.74 127.12 1m58 s LYS 82 Ca -0.03 -0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 54.98 1m58 s LYS 82 Cb -0.19 -3.14 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1m58 s LYS 82 CO -0.07 0.08 0.41 -1.54 -0.36 0.00 0.00 175.35 173.87 1m58 s SER 83 N 0.86 -0.43 -0.55 1.43 1.04 -0.97 -4.94 113.70 110.13 1m58 s SER 83 Ca 0.02 0.83 -0.22 0.00 0.48 0.00 0.00 55.95 57.06 1m58 s SER 83 Cb -0.14 0.83 0.05 0.00 0.10 0.00 0.00 66.02 66.86 1m58 s SER 83 CO 0.02 -0.15 0.85 -0.55 0.98 0.00 0.00 173.24 174.39 1m58 s SER 84 N 0.30 6.28 0.05 7.02 0.15 -1.26 -1.34 113.70 124.91 1m58 s SER 84 Ca -0.01 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.92 1m58 s SER 84 Cb -0.03 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1m58 s SER 84 CO -0.00 -1.16 0.22 0.21 1.20 0.00 0.00 173.24 173.71 1m58 s ASN 85 N 2.92 0.01 0.41 5.45 2.47 -0.70 -4.76 114.94 120.74 1m58 s ASN 85 Ca 0.25 -0.38 -0.23 0.00 0.42 0.00 0.00 52.86 52.91 1m58 s ASN 85 Cb -0.15 0.32 -0.10 0.00 -1.45 0.00 0.00 41.25 39.87 1m58 s ASN 85 CO 0.16 -0.61 1.00 0.42 -3.72 0.00 0.00 177.10 174.35 1m58 s THR 86 N -2.84 4.00 0.16 -5.21 -4.23 -1.26 -2.62 115.64 103.63 1m58 s THR 86 Ca -0.03 1.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.95 1m58 s THR 86 Cb 0.00 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 1m58 s THR 86 CO -0.05 -0.09 -0.09 0.27 -0.54 0.00 0.00 174.62 174.11 1m58 s ILE 87 N -1.84 1.21 -0.19 2.99 -4.36 -1.26 -1.28 121.20 116.46 1m58 s ILE 87 Ca 0.59 -2.07 -0.05 0.00 -0.26 0.00 0.00 60.65 58.86 1m58 s ILE 87 Cb -0.17 -1.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 1m58 s ILE 87 CO 0.22 -0.68 -0.01 0.00 0.24 0.00 0.00 174.94 174.71 1m58 s ILE 89 N 0.88 0.97 -0.48 0.00 -4.36 -0.75 -1.56 121.20 115.91 1m58 s ILE 89 Ca 0.01 -2.03 -0.20 0.00 -0.26 0.00 0.00 60.65 58.17 1m58 s ILE 89 Cb -0.14 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 41.32 1m58 s ILE 89 CO 0.02 -0.36 0.64 -0.89 0.24 0.00 0.00 174.94 174.59 1m58 s THR 90 N -3.46 4.84 0.09 8.37 2.01 -0.64 -1.41 115.64 125.44 1m58 s THR 90 Ca 0.27 -0.25 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 1m58 s THR 90 Cb 0.06 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 1m58 s THR 90 CO 0.08 -0.74 0.75 0.00 -0.69 0.00 0.00 174.62 174.02 1m58 s GLU 92 N -0.53 0.74 -1.43 0.00 -1.05 0.50 -1.30 118.70 115.62 1m58 s GLU 92 Ca 0.37 0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 56.04 1m58 s GLU 92 Cb -0.21 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1m58 s GLU 92 CO 0.24 -0.09 0.34 0.27 0.95 0.00 0.00 175.26 176.97 1m58 n ASN 93 N 2.71 -0.21 0.00 0.83 6.94 0.31 -0.95 115.26 124.89 1m58 n ASN 93 Ca -0.14 -1.07 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 1m58 n ASN 93 Cb 0.56 -2.72 0.00 0.00 -2.36 0.00 0.00 39.78 35.25 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1m58 n LYS 94 N -4.45 -0.59 -3.75 -3.83 5.02 -1.02 -4.98 118.16 104.57 1m58 n LYS 94 Ca -0.31 0.15 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 1m58 n LYS 94 Cb 0.69 -3.80 -0.08 0.00 -0.02 0.00 0.00 35.03 31.81 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 0.00 0.78 0.04 -0.35 -0.00 -0.12 -3.95 118.68 115.08 1m58 s LEU 95 Ca 0.00 0.04 -0.23 0.00 -0.00 0.00 0.00 54.13 53.94 1m58 s LEU 95 Cb 0.00 1.35 -0.06 0.00 -0.00 0.00 0.00 46.19 47.49 1m58 s LEU 95 CO 0.00 -0.50 0.70 -2.16 -0.00 0.00 0.00 176.35 174.39 1m58 s PRO 96 N -1.66 4.43 0.00 1.48 0.04 -1.26 -0.37 135.00 137.65 1m58 s PRO 96 Ca -0.11 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1m58 s PRO 96 Cb -0.04 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1m58 s PRO 96 CO 0.02 0.35 0.00 1.33 0.04 0.00 0.00 177.00 178.74 1m58 n VAL 97 N 2.64 0.00 -4.49 -0.36 0.24 -0.99 -4.86 118.33 110.52 1m58 n VAL 97 Ca -0.05 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.76 1m58 n VAL 97 Cb 0.50 0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.12 1.52 -0.39 6.34 3.76 -1.26 -4.62 115.29 119.52 1m58 s HIS 98 Ca 0.00 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.38 1m58 s HIS 98 Cb 0.00 -0.90 0.01 0.00 1.11 0.00 0.00 32.58 32.80 1m58 s HIS 98 CO 0.00 0.07 0.43 0.12 -0.85 0.00 0.00 174.74 174.51 1m58 s PHE 99 N -0.84 3.18 -0.06 1.40 2.19 -1.26 -1.62 117.98 120.97 1m58 s PHE 99 Ca 0.05 -0.23 -0.02 0.00 0.33 0.00 0.00 56.93 57.06 1m58 s PHE 99 Cb -0.08 -2.84 -0.01 0.00 -1.31 0.00 0.00 43.02 38.78 1m58 s PHE 99 CO 0.02 -0.62 -0.04 0.28 1.83 0.00 0.00 175.22 176.69 1m58 h VAL 100 N 5.67 0.00 -1.11 3.12 2.07 -1.66 -3.48 116.25 120.86 1m58 h VAL 100 Ca -0.27 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1m58 h VAL 100 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1m58 h VAL 100 CO 0.77 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.36 1m58 n ALA 101 N -2.64 0.00 -2.19 1.67 0.00 -0.60 -5.00 120.51 111.75 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 -0.07 0.00 0.24 -1.26 -0.31 118.33 116.93 1m58 n VAL 102 Ca 0.00 0.00 0.25 0.00 -2.04 0.00 0.00 64.34 62.55 1m58 n VAL 102 Cb 0.00 0.00 0.65 0.00 -1.47 0.00 0.00 33.84 33.02 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 -5.30 7.34 4.81 -1.52 -2.92 114.58 116.99 1m58 h GLU 103 Ca 0.00 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.60 1m58 h GLU 103 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 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 -4.59 3.72 -0.20 1.92 2.02 -1.26 -4.93 118.70 115.37 1m58 s GLU 104 Ca -0.04 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1m58 s GLU 104 Cb 0.16 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.46 1m58 s GLU 104 CO 0.55 0.25 -0.15 0.00 0.02 0.00 0.00 175.26 175.94