#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 2.12 0.41 3.17 -0.21 -1.26 -4.89 119.66 119.01 1m58 s GLN 2 Ca 0.00 -1.61 0.04 0.00 0.02 0.00 0.00 55.36 53.80 1m58 s GLN 2 Cb 0.00 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.57 1m58 s GLN 2 CO 0.00 -0.89 0.13 -0.80 -2.12 0.00 0.00 175.29 171.61 1m58 s ASN 3 N 1.54 2.80 0.62 5.90 0.01 -1.26 -5.01 114.94 119.54 1m58 s ASN 3 Ca 0.04 -1.68 0.34 0.00 -0.71 0.00 0.00 52.86 50.85 1m58 s ASN 3 Cb -0.21 0.52 1.97 0.00 0.41 0.00 0.00 41.25 43.93 1m58 s ASN 3 CO -0.03 -0.94 2.23 -0.25 -1.51 0.00 0.00 177.10 176.60 1m58 h TRP 4 N 1.78 0.00 0.40 2.20 -0.00 -1.90 -1.53 115.95 116.90 1m58 h TRP 4 Ca -0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.52 1m58 h TRP 4 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.44 1m58 h TRP 4 CO 1.53 0.00 -0.19 0.93 -0.00 0.00 0.00 178.44 180.71 1m58 h GLU 5 N 0.00 -0.52 -0.95 2.65 5.08 -1.95 -2.19 114.58 116.70 1m58 h GLU 5 Ca 0.02 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1m58 h GLU 5 Cb 0.17 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1m58 h GLU 5 CO -0.00 -0.34 0.63 1.15 -1.00 0.00 0.00 179.01 179.44 1m58 h THR 6 N -0.99 1.23 -0.99 1.13 2.02 -1.85 -2.07 112.91 111.39 1m58 h THR 6 Ca -0.05 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1m58 h THR 6 Cb 0.41 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1m58 h THR 6 CO 0.09 0.23 0.64 0.15 0.37 0.00 0.00 175.52 177.00 1m58 h PHE 7 N 1.28 1.25 -0.24 3.16 3.57 -1.37 -2.60 116.94 121.99 1m58 h PHE 7 Ca 0.35 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1m58 h PHE 7 Cb -0.13 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.18 1m58 h PHE 7 CO -0.01 0.80 0.12 1.96 -2.23 0.00 0.00 178.31 178.96 1m58 h GLN 8 N 1.34 0.34 -0.41 1.11 4.20 -0.71 -0.92 115.11 120.07 1m58 h GLN 8 Ca 0.36 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 59.10 1m58 h GLN 8 Cb -0.13 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.51 1m58 h GLN 8 CO -0.08 0.34 -0.03 0.87 -0.67 0.00 0.00 178.83 179.26 1m58 h LYS 9 N 0.26 0.07 0.00 1.46 1.57 -1.08 0.17 116.57 119.02 1m58 h LYS 9 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1m58 h LYS 9 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1m58 h LYS 9 CO -0.01 0.05 -0.12 0.87 -0.57 0.00 0.00 179.45 179.66 1m58 h LYS 10 N 0.07 0.00 0.00 3.15 1.57 -1.43 -3.43 116.57 116.50 1m58 h LYS 10 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1m58 h LYS 10 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1m58 h LYS 10 CO -0.37 0.00 -0.12 0.72 -0.57 0.00 0.00 179.45 179.12 1m58 n HIS 11 N -2.89 0.00 -3.07 -1.35 8.25 -0.36 -4.67 115.22 111.13 1m58 n HIS 11 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.19 1m58 n HIS 11 Cb 0.51 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 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 -5.98 3.96 0.23 2.41 1.02 0.53 0.12 118.68 120.97 1m58 s LEU 12 Ca -0.03 1.06 -0.14 0.00 0.02 0.00 0.00 54.13 55.03 1m58 s LEU 12 Cb 0.00 -3.90 0.00 0.00 0.02 0.00 0.00 46.19 42.32 1m58 s LEU 12 CO 0.05 -0.28 0.50 -0.89 0.02 0.00 0.00 176.35 175.74 1m58 s THR 13 N -2.17 0.01 -0.20 5.49 2.01 -0.86 -4.30 115.64 115.63 1m58 s THR 13 Ca 0.50 -1.23 0.16 0.00 0.31 0.00 0.00 61.69 61.43 1m58 s THR 13 Cb -0.10 -2.01 0.61 0.00 0.01 0.00 0.00 72.50 71.00 1m58 s THR 13 CO 0.27 -0.05 1.51 0.47 -0.69 0.00 0.00 174.62 176.13 1m58 n ASP 14 N -0.37 4.39 -4.11 3.53 9.92 -1.26 -2.70 116.55 125.95 1m58 n ASP 14 Ca -0.04 -3.01 -0.29 0.00 -0.53 0.00 0.00 54.79 50.92 1m58 n ASP 14 Cb 0.62 -0.59 -0.17 0.00 -0.64 0.00 0.00 41.12 40.34 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 -2.82 1.65 -0.57 -3.53 -4.23 -1.26 -5.01 115.64 99.87 1m58 s THR 15 Ca 0.46 -0.76 0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1m58 s THR 15 Cb 0.36 -1.47 0.40 0.00 1.34 0.00 0.00 72.50 73.13 1m58 s THR 15 CO 0.11 0.47 1.17 -2.11 -0.54 0.00 0.00 174.62 173.72 1m58 n ARG 16 N 3.89 2.77 -1.46 3.99 1.85 -1.26 -3.88 116.66 122.56 1m58 n ARG 16 Ca -0.20 -1.56 0.03 0.00 -1.00 0.00 0.00 57.85 55.12 1m58 n ARG 16 Cb 0.52 -1.84 0.06 0.00 -1.05 0.00 0.00 32.46 30.15 1m58 n ARG 16 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1m58 n ASP 17 N 0.22 1.30 -4.61 2.89 8.00 -1.26 -5.10 116.55 117.99 1m58 n ASP 17 Ca 0.16 -2.43 -0.41 0.00 0.71 0.00 0.00 54.79 52.82 1m58 n ASP 17 Cb 0.78 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1m58 n VAL 18 N 0.04 2.48 -3.90 2.53 0.31 -1.25 -5.00 118.33 113.54 1m58 n VAL 18 Ca 0.10 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.70 1m58 n VAL 18 Cb 1.02 -1.14 -0.05 0.00 -0.91 0.00 0.00 33.84 32.75 1m58 n VAL 18 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1m58 s LYS 19 N -2.04 2.38 -0.02 5.55 -2.85 -1.26 -4.99 119.74 116.52 1m58 s LYS 19 Ca 0.64 -1.66 0.01 0.00 -1.00 0.00 0.00 55.97 53.96 1m58 s LYS 19 Cb -0.55 -2.18 -0.02 0.00 -2.06 0.00 0.00 37.83 33.02 1m58 s LYS 19 CO 0.56 -0.10 0.01 0.00 0.10 0.00 0.00 175.35 175.91 1m58 h ASP 21 N 0.00 -0.86 1.03 0.00 1.82 -1.80 0.20 116.42 116.80 1m58 h ASP 21 Ca -0.05 0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1m58 h ASP 21 Cb 1.10 0.22 -0.02 0.00 0.68 0.00 0.00 39.33 41.32 1m58 h ASP 21 CO 0.00 -0.49 -0.54 0.00 -1.61 0.00 0.00 179.24 176.60 1m58 h ALA 22 N -1.27 0.80 0.00 -0.78 0.00 -1.90 -2.46 119.26 113.65 1m58 h ALA 22 Ca -0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1m58 h ALA 22 Cb 0.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1m58 h ALA 22 CO 0.17 0.68 -0.11 0.93 0.00 0.00 0.00 179.25 180.91 1m58 h GLU 23 N 0.00 0.00 -0.45 0.00 4.39 -1.74 -3.28 114.58 113.51 1m58 h GLU 23 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1m58 h GLU 23 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1m58 h GLU 23 CO 0.07 0.01 0.18 1.98 -1.16 0.00 0.00 179.01 180.09 1m58 h MET 24 N -1.00 0.63 0.00 2.33 4.05 -0.74 -2.28 114.93 117.92 1m58 h MET 24 Ca -0.00 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 1m58 h MET 24 Cb 0.12 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1m58 h MET 24 CO -0.00 0.52 -0.20 -0.22 0.23 0.00 0.00 176.91 177.24 1m58 h LYS 25 N 0.63 0.00 -7.14 0.39 3.11 -1.47 0.88 116.57 112.97 1m58 h LYS 25 Ca 0.15 0.00 -0.43 0.00 -2.81 0.00 0.00 60.65 57.57 1m58 h LYS 25 Cb 0.12 0.00 0.21 0.00 -1.00 0.00 0.00 32.23 31.56 1m58 h LYS 25 CO -0.02 0.20 -0.01 0.15 -2.81 0.00 0.00 179.45 176.97 1m58 s LYS 26 N -4.40 -1.24 0.47 1.90 1.02 -0.86 -4.18 119.74 112.46 1m58 s LYS 26 Ca -0.03 0.72 0.23 0.00 0.02 0.00 0.00 55.97 56.91 1m58 s LYS 26 Cb 0.15 -1.53 1.15 0.00 -0.52 0.00 0.00 37.83 37.09 1m58 s LYS 26 CO 0.67 -3.90 1.96 0.00 -0.92 0.00 0.00 175.35 173.15 1m58 h ALA 27 N -2.75 1.24 -0.27 5.17 0.00 -1.86 0.39 119.26 121.19 1m58 h ALA 27 Ca -0.61 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.19 1m58 h ALA 27 Cb 1.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1m58 h ALA 27 CO 0.49 0.25 0.37 1.25 0.00 0.00 0.00 179.25 181.62 1m58 h LEU 28 N 0.00 0.00 0.00 0.00 5.85 -1.89 -3.29 115.31 115.98 1m58 h LEU 28 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1m58 h LEU 28 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1m58 h LEU 28 CO 0.03 0.00 -0.36 0.49 -0.34 0.00 0.00 178.44 178.25 1m58 n PHE 29 N -3.52 0.00 -2.27 1.25 3.72 -1.07 -5.08 117.46 110.49 1m58 n PHE 29 Ca 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.39 1m58 n PHE 29 Cb 0.51 0.05 0.02 0.00 -0.94 0.00 0.00 39.48 39.12 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 -2.01 -2.58 -3.40 4.37 2.03 0.13 -4.05 116.55 111.04 1m58 n ASP 30 Ca 0.00 -0.20 -0.17 0.00 0.52 0.00 0.00 54.79 54.94 1m58 n ASP 30 Cb 0.18 -1.92 0.08 0.00 -0.72 0.00 0.00 41.12 38.74 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m58 s LYS 32 N -5.10 4.36 0.14 0.00 -0.14 -1.25 -4.91 119.74 112.84 1m58 s LYS 32 Ca 0.19 2.00 -0.19 0.00 -1.36 0.00 0.00 55.97 56.61 1m58 s LYS 32 Cb -0.03 -3.26 0.02 0.00 -1.68 0.00 0.00 37.83 32.89 1m58 s LYS 32 CO 0.75 -0.36 1.70 -0.56 -0.76 0.00 0.00 175.35 176.11 1m58 h GLN 33 N 6.52 0.02 -4.35 1.68 3.07 -1.93 -3.45 115.11 116.68 1m58 h GLN 33 Ca -0.42 -0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.13 1m58 h GLN 33 Cb 1.21 -0.01 -0.17 0.00 0.08 0.00 0.00 27.48 28.59 1m58 h GLN 33 CO 0.84 0.02 -0.70 0.15 0.09 0.00 0.00 178.83 179.22 1m58 s LYS 34 N -6.20 0.59 0.19 0.06 1.02 -1.26 -0.39 119.74 113.74 1m58 s LYS 34 Ca -0.13 -1.02 -0.20 0.00 0.02 0.00 0.00 55.97 54.63 1m58 s LYS 34 Cb 0.12 -0.02 0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1m58 s LYS 34 CO 0.69 -0.04 0.57 -0.80 -0.92 0.00 0.00 175.35 174.86 1m58 s ASN 35 N -2.36 -0.38 -0.27 2.83 -0.87 -1.06 -4.97 114.94 107.85 1m58 s ASN 35 Ca -0.00 -0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.01 1m58 s ASN 35 Cb -0.00 0.60 0.07 0.00 -0.02 0.00 0.00 41.25 41.90 1m58 s ASN 35 CO -0.05 -1.05 -0.02 -0.89 -2.57 0.00 0.00 177.10 172.52 1m58 s THR 36 N -3.82 1.68 -0.12 1.60 2.01 -1.26 -1.30 115.64 114.42 1m58 s THR 36 Ca 0.06 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.50 1m58 s THR 36 Cb -0.02 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1m58 s THR 36 CO -0.06 -0.26 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.23 1m58 s PHE 37 N 1.28 3.09 0.28 4.92 0.08 -0.57 -4.53 117.98 122.53 1m58 s PHE 37 Ca -0.01 -0.04 0.11 0.00 0.12 0.00 0.00 56.93 57.11 1m58 s PHE 37 Cb -0.19 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1m58 s PHE 37 CO -0.09 0.21 -0.10 0.42 -0.10 0.00 0.00 175.22 175.57 1m58 s ILE 38 N -0.23 2.93 -0.18 0.64 1.01 0.12 -0.20 121.20 125.29 1m58 s ILE 38 Ca 0.05 -2.16 -0.05 0.00 0.00 0.00 0.00 60.65 58.49 1m58 s ILE 38 Cb -0.13 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1m58 s ILE 38 CO 0.02 -0.38 -0.00 -0.31 0.00 0.00 0.00 174.94 174.27 1m58 s TYR 39 N -2.43 3.06 -0.06 3.97 2.02 -1.07 -2.02 117.35 120.82 1m58 s TYR 39 Ca 0.31 -0.32 -0.32 0.00 -0.37 0.00 0.00 57.07 56.37 1m58 s TYR 39 Cb -0.05 -2.04 0.13 0.00 -0.40 0.00 0.00 41.96 39.60 1m58 s TYR 39 CO 0.17 -0.11 1.35 0.00 -1.57 0.00 0.00 175.55 175.40 1m58 s ALA 40 N 0.68 -2.35 0.35 3.71 0.00 -1.10 -4.60 121.76 118.45 1m58 s ALA 40 Ca -0.00 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1m58 s ALA 40 Cb -0.14 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1m58 s ALA 40 CO 0.02 -1.03 0.42 1.03 0.00 0.00 0.00 175.76 176.21 1m58 s ARG 41 N -2.24 2.94 -0.06 0.00 0.52 -1.26 -4.36 118.95 114.48 1m58 s ARG 41 Ca 0.14 -1.15 -0.25 0.00 -0.52 0.00 0.00 55.73 53.96 1m58 s ARG 41 Cb 0.06 -2.69 -0.25 0.00 0.52 0.00 0.00 34.95 32.59 1m58 s ARG 41 CO -0.05 0.02 0.99 -1.00 0.02 0.00 0.00 175.30 175.28 1m58 h PRO 42 N 0.98 0.17 0.00 3.54 0.13 -1.99 -2.89 132.00 131.94 1m58 h PRO 42 Ca -0.45 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 64.46 1m58 h PRO 42 Cb 1.26 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1m58 h PRO 42 CO 0.54 0.97 -0.11 0.78 -0.23 0.00 0.00 178.00 179.95 1m58 h GLY 43 N -0.53 0.00 1.94 1.56 0.00 -1.99 -2.10 103.07 101.94 1m58 h GLY 43 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1m58 h GLY 43 CO 0.06 0.00 -0.79 -0.09 0.00 0.00 0.00 176.54 175.72 1m58 h ARG 44 N 0.00 0.00 0.00 4.80 9.65 -1.98 -3.30 114.38 123.55 1m58 h ARG 44 Ca -0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.62 1m58 h ARG 44 Cb 0.86 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.39 1m58 h ARG 44 CO 0.01 0.72 -1.66 0.28 2.80 0.00 0.00 179.97 182.12 1m58 n VAL 45 N -3.26 1.46 -0.18 0.20 0.31 -1.09 -4.03 118.33 111.74 1m58 n VAL 45 Ca 0.00 -0.77 0.05 0.00 -0.01 0.00 0.00 64.34 63.62 1m58 n VAL 45 Cb 0.84 -0.91 0.34 0.00 -0.91 0.00 0.00 33.84 33.20 1m58 n VAL 45 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1m58 h GLN 46 N 0.00 0.76 -0.03 5.55 4.15 -1.46 -0.53 115.11 123.55 1m58 h GLN 46 Ca -0.26 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.06 1m58 h GLN 46 Cb 1.89 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.40 1m58 h GLN 46 CO 0.07 0.51 -0.23 0.00 -1.93 0.00 0.00 178.83 177.24 1m58 h ALA 47 N 1.60 1.55 0.00 3.38 0.00 -1.70 -0.60 119.26 123.49 1m58 h ALA 47 Ca 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1m58 h ALA 47 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1m58 h ALA 47 CO -0.09 0.33 -0.18 1.25 0.00 0.00 0.00 179.25 180.55 1m58 h LEU 48 N 0.05 0.00 -2.98 0.00 5.85 -1.27 -3.26 115.31 113.69 1m58 h LEU 48 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1m58 h LEU 48 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1m58 h LEU 48 CO 0.03 0.18 -0.24 0.00 -0.34 0.00 0.00 178.44 178.08 1m58 n LYS 50 N -1.26 3.08 0.00 0.00 3.00 -0.30 -3.12 118.16 119.57 1m58 n LYS 50 Ca 0.17 -3.79 0.00 0.00 -0.00 0.00 0.00 58.31 54.69 1m58 n LYS 50 Cb 0.67 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.42 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 -0.71 2.96 -4.03 3.14 6.94 -1.26 -5.03 115.26 117.27 1m58 n ASN 51 Ca 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.93 1m58 n ASN 51 Cb 0.65 0.52 -0.13 0.00 -2.36 0.00 0.00 39.78 38.46 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 -1.29 0.54 -0.26 1.53 1.01 -1.26 -5.04 121.20 116.43 1m58 s ILE 52 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 1m58 s ILE 52 Cb 0.00 -0.54 -0.16 0.00 0.01 0.00 0.00 42.46 41.77 1m58 s ILE 52 CO 0.00 -0.15 -0.25 -0.38 0.00 0.00 0.00 174.94 174.16 1m58 n ILE 53 N 2.09 1.48 -1.39 2.92 5.41 -1.26 -2.39 119.36 126.22 1m58 n ILE 53 Ca -0.18 -0.54 -0.31 0.00 1.00 0.00 0.00 62.75 62.71 1m58 n ILE 53 Cb 0.56 -1.48 0.08 0.00 -0.71 0.00 0.00 39.64 38.09 1m58 n ILE 53 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1m58 s VAL 54 N -2.51 3.37 0.07 1.39 1.01 -1.26 0.69 120.40 123.16 1m58 s VAL 54 Ca -0.35 0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 1m58 s VAL 54 Cb 0.10 -2.99 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 1m58 s VAL 54 CO 0.58 -0.54 1.67 -0.55 0.00 0.00 0.00 175.10 176.25 1m58 s SER 55 N -3.26 6.59 0.23 3.32 0.15 -1.26 -4.46 113.70 115.02 1m58 s SER 55 Ca 0.62 2.51 -0.10 0.00 0.70 0.00 0.00 55.95 59.67 1m58 s SER 55 Cb -0.18 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1m58 s SER 55 CO 0.53 -0.90 0.40 -0.54 1.20 0.00 0.00 173.24 173.93 1m58 s LYS 56 N 2.64 1.46 -0.18 5.44 1.02 -0.77 -4.98 119.74 124.37 1m58 s LYS 56 Ca 0.74 -1.33 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 1m58 s LYS 56 Cb -0.40 0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 1m58 s LYS 56 CO 0.33 -0.58 0.04 -0.80 -0.92 0.00 0.00 175.35 173.42 1m58 s ASN 57 N -3.05 5.42 0.27 2.83 0.02 -1.26 -0.43 114.94 118.74 1m58 s ASN 57 Ca 0.26 0.01 0.10 0.00 -1.02 0.00 0.00 52.86 52.21 1m58 s ASN 57 Cb 0.01 -1.93 -0.05 0.00 0.02 0.00 0.00 41.25 39.31 1m58 s ASN 57 CO 0.09 0.15 -0.06 -0.69 0.02 0.00 0.00 177.10 176.62 1m58 s VAL 58 N 0.50 3.14 -0.06 1.60 1.01 0.16 -4.92 120.40 121.82 1m58 s VAL 58 Ca 0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 61.98 59.92 1m58 s VAL 58 Cb -0.13 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1m58 s VAL 58 CO 0.01 -0.37 0.07 -0.76 0.00 0.00 0.00 175.10 174.05 1m58 s LEU 59 N -3.63 0.15 -0.06 3.92 1.43 -1.26 -1.78 118.68 117.45 1m58 s LEU 59 Ca 0.31 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 1m58 s LEU 59 Cb -0.06 -0.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 1m58 s LEU 59 CO 0.19 -0.26 1.55 -0.94 0.23 0.00 0.00 176.35 177.11 1m58 s SER 60 N 2.17 6.74 0.37 2.29 1.04 -1.06 -4.88 113.70 120.38 1m58 s SER 60 Ca 0.04 2.13 0.11 0.00 0.48 0.00 0.00 55.95 58.72 1m58 s SER 60 Cb -0.13 -2.54 0.72 0.00 0.10 0.00 0.00 66.02 64.17 1m58 s SER 60 CO -0.04 -0.86 1.84 0.00 0.98 0.00 0.00 173.24 175.15 1m58 h THR 61 N 5.42 1.24 -2.98 2.02 1.03 -2.00 -3.41 112.91 114.25 1m58 h THR 61 Ca -0.37 -1.16 -0.51 0.00 -0.01 0.00 0.00 66.41 64.36 1m58 h THR 61 Cb 1.16 1.57 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 1m58 h THR 61 CO 0.95 0.34 -0.22 -1.81 -0.01 0.00 0.00 175.52 174.76 1m58 s ASP 62 N -6.92 6.39 0.12 0.00 1.11 -1.26 -5.04 116.67 111.06 1m58 s ASP 62 Ca -0.04 0.54 -0.19 0.00 0.18 0.00 0.00 52.55 53.04 1m58 s ASP 62 Cb 0.15 -2.07 -0.07 0.00 1.07 0.00 0.00 42.92 42.00 1m58 s ASP 62 CO 0.73 -0.16 0.60 -1.61 1.18 0.00 0.00 175.17 175.92 1m58 s GLU 63 N -3.63 4.19 0.05 8.23 2.02 -1.26 -4.65 118.70 123.66 1m58 s GLU 63 Ca 0.41 0.74 0.08 0.00 0.02 0.00 0.00 54.97 56.22 1m58 s GLU 63 Cb -0.11 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 1m58 s GLU 63 CO 0.31 0.57 -0.23 -0.06 0.02 0.00 0.00 175.26 175.87 1m58 s PHE 64 N -1.24 2.43 0.16 1.61 0.08 0.21 -4.79 117.98 116.44 1m58 s PHE 64 Ca 0.33 -0.34 -0.31 0.00 0.12 0.00 0.00 56.93 56.73 1m58 s PHE 64 Cb -0.18 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1m58 s PHE 64 CO 0.20 0.21 1.45 0.71 -0.10 0.00 0.00 175.22 177.68 1m58 s TYR 65 N -0.89 3.14 -0.24 0.36 2.02 -1.26 -1.96 117.35 118.53 1m58 s TYR 65 Ca 0.13 0.88 0.02 0.00 -0.37 0.00 0.00 57.07 57.74 1m58 s TYR 65 Cb -0.10 -3.78 0.05 0.00 -0.40 0.00 0.00 41.96 37.73 1m58 s TYR 65 CO 0.04 -2.73 -0.11 -0.51 -1.57 0.00 0.00 175.55 170.67 1m58 s LEU 66 N 0.72 2.93 -0.44 -1.29 1.43 0.59 -2.61 118.68 120.01 1m58 s LEU 66 Ca 0.65 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1m58 s LEU 66 Cb -0.40 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1m58 s LEU 66 CO 0.34 -0.17 0.31 -0.55 0.23 0.00 0.00 176.35 176.51 1m58 s SER 67 N 1.23 5.83 0.20 2.29 0.15 0.72 -1.86 113.70 122.26 1m58 s SER 67 Ca -0.05 -1.41 0.08 0.00 0.70 0.00 0.00 55.95 55.26 1m58 s SER 67 Cb -0.18 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 1m58 s SER 67 CO -0.07 -0.57 -0.01 1.51 1.20 0.00 0.00 173.24 175.31 1m58 s ASP 68 N 2.27 4.69 0.13 5.45 1.47 -0.97 -1.51 116.67 128.20 1m58 s ASP 68 Ca 0.03 -0.46 -0.01 0.00 1.18 0.00 0.00 52.55 53.29 1m58 s ASP 68 Cb -0.23 -0.96 -0.04 0.00 -0.34 0.00 0.00 42.92 41.34 1m58 s ASP 68 CO 0.04 0.07 0.31 0.00 0.68 0.00 0.00 175.17 176.27 1m58 s ASN 70 N -2.80 0.01 -0.72 0.00 2.20 0.81 -2.58 114.94 111.86 1m58 s ASN 70 Ca 0.37 0.00 -0.27 0.00 -0.94 0.00 0.00 52.86 52.03 1m58 s ASN 70 Cb -0.12 -0.01 0.02 0.00 -2.00 0.00 0.00 41.25 39.15 1m58 s ASN 70 CO 0.28 -0.01 1.39 -0.60 -2.94 0.00 0.00 177.10 175.21 1m58 s ARG 71 N 0.10 3.09 -0.16 3.55 3.00 0.47 -2.86 118.95 126.14 1m58 s ARG 71 Ca -0.01 -0.08 0.17 0.00 -1.00 0.00 0.00 55.73 54.81 1m58 s ARG 71 Cb -0.01 -4.22 -0.24 0.00 0.00 0.00 0.00 34.95 30.48 1m58 s ARG 71 CO -0.00 -2.25 0.12 1.51 0.00 0.00 0.00 175.30 174.67 1m58 n ILE 72 N 6.53 1.09 -3.15 4.11 3.06 -1.26 -4.95 119.36 124.80 1m58 n ILE 72 Ca 0.06 -0.74 0.05 0.00 -2.50 0.00 0.00 62.75 59.62 1m58 n ILE 72 Cb 0.50 -0.43 -0.01 0.00 0.54 0.00 0.00 39.64 40.24 1m58 n ILE 72 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1m58 s LYS 73 N -2.58 0.41 1.05 9.51 -2.85 -1.25 -5.14 119.74 118.89 1m58 s LYS 73 Ca -0.09 0.68 -0.20 0.00 -1.00 0.00 0.00 55.97 55.36 1m58 s LYS 73 Cb 0.07 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1m58 s LYS 73 CO 0.77 -0.49 -0.46 1.28 0.10 0.00 0.00 175.35 176.55 1m58 n LEU 74 N 5.43 -2.57 0.00 2.77 4.77 -1.26 -4.00 117.00 122.14 1m58 n LEU 74 Ca -0.02 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1m58 n LEU 74 Cb 0.53 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1m58 n LEU 74 CO -0.04 -3.27 0.00 -0.81 -1.33 0.00 0.00 177.39 171.95 1m58 n PRO 75 N -0.33 0.00 -0.86 3.23 -0.04 -1.26 -4.59 135.00 131.15 1m58 n PRO 75 Ca 0.00 0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 63.75 1m58 n PRO 75 Cb 0.64 -0.78 0.28 0.00 -0.04 0.00 0.00 33.50 33.60 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 -2.99 3.13 0.31 0.00 5.04 -1.26 -4.56 115.29 114.97 1m58 s HIS 77 Ca 0.51 -1.14 0.10 0.00 -1.54 0.00 0.00 55.06 52.98 1m58 s HIS 77 Cb 0.41 -3.90 -0.06 0.00 0.04 0.00 0.00 32.58 29.08 1m58 s HIS 77 CO 0.11 -1.15 -0.13 0.71 -2.34 0.00 0.00 174.74 171.94 1m58 s TYR 78 N 2.09 2.30 0.18 3.88 2.02 -1.26 -3.97 117.35 122.59 1m58 s TYR 78 Ca 0.07 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 1m58 s TYR 78 Cb -0.27 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1m58 s TYR 78 CO 0.04 0.59 -0.15 0.21 -1.57 0.00 0.00 175.55 174.68 1m58 s LYS 79 N -3.59 1.26 0.42 -0.62 2.20 -1.13 -4.45 119.74 113.82 1m58 s LYS 79 Ca 0.31 -1.50 0.07 0.00 -0.36 0.00 0.00 55.97 54.49 1m58 s LYS 79 Cb 0.00 -1.08 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 1m58 s LYS 79 CO 0.15 0.19 0.16 -0.48 -0.36 0.00 0.00 175.35 175.01 1m58 s LEU 80 N -3.08 3.06 -0.08 5.43 0.05 -1.26 -0.13 118.68 122.66 1m58 s LEU 80 Ca 0.19 -1.13 -0.04 0.00 0.05 0.00 0.00 54.13 53.20 1m58 s LEU 80 Cb -0.02 -1.36 0.04 0.00 -2.05 0.00 0.00 46.19 42.81 1m58 s LEU 80 CO 0.06 -0.55 0.19 -0.75 -0.55 0.00 0.00 176.35 174.75 1m58 s LYS 81 N -3.89 0.14 -0.08 1.48 2.47 -0.24 -4.95 119.74 114.68 1m58 s LYS 81 Ca 0.40 0.45 -0.08 0.00 -1.56 0.00 0.00 55.97 55.18 1m58 s LYS 81 Cb 0.04 -0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.21 1m58 s LYS 81 CO 0.22 -0.17 0.20 0.21 0.16 0.00 0.00 175.35 175.97 1m58 s LYS 82 N 1.26 3.53 -0.28 4.03 2.36 -1.26 -2.30 119.74 127.09 1m58 s LYS 82 Ca -0.09 -0.05 -0.17 0.00 -2.55 0.00 0.00 55.97 53.11 1m58 s LYS 82 Cb -0.11 -3.17 0.08 0.00 -1.05 0.00 0.00 37.83 33.58 1m58 s LYS 82 CO -0.07 0.74 0.70 -1.12 1.55 0.00 0.00 175.35 177.15 1m58 s SER 83 N -1.20 -0.92 -0.39 1.43 0.01 -0.78 -4.93 113.70 106.93 1m58 s SER 83 Ca 0.19 1.50 -0.21 0.00 1.31 0.00 0.00 55.95 58.74 1m58 s SER 83 Cb -0.13 1.40 0.01 0.00 0.21 0.00 0.00 66.02 67.51 1m58 s SER 83 CO 0.08 -0.24 0.69 -0.55 0.41 0.00 0.00 173.24 173.63 1m58 s SER 84 N 1.47 6.42 0.26 2.44 0.15 -1.26 -0.30 113.70 122.88 1m58 s SER 84 Ca -0.09 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1m58 s SER 84 Cb -0.05 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 1m58 s SER 84 CO -0.17 -0.72 0.31 0.21 1.20 0.00 0.00 173.24 174.06 1m58 s ASN 85 N 1.92 0.51 0.60 5.45 2.47 -0.83 -4.80 114.94 120.27 1m58 s ASN 85 Ca 0.26 -1.37 -0.09 0.00 0.42 0.00 0.00 52.86 52.08 1m58 s ASN 85 Cb -0.14 0.52 -0.02 0.00 -1.45 0.00 0.00 41.25 40.16 1m58 s ASN 85 CO 0.18 -1.04 0.97 0.42 -3.72 0.00 0.00 177.10 173.90 1m58 s THR 86 N -3.77 4.26 -0.04 -5.21 -4.23 -1.26 -0.62 115.64 104.77 1m58 s THR 86 Ca 0.34 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1m58 s THR 86 Cb 0.03 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.20 1m58 s THR 86 CO 0.16 -0.83 -0.02 0.27 -0.54 0.00 0.00 174.62 173.66 1m58 s ILE 87 N -3.09 0.35 -0.42 2.99 -4.36 -1.02 -3.33 121.20 112.32 1m58 s ILE 87 Ca 0.54 -0.01 -0.15 0.00 -0.26 0.00 0.00 60.65 60.77 1m58 s ILE 87 Cb -0.11 -0.41 0.03 0.00 1.25 0.00 0.00 42.46 43.22 1m58 s ILE 87 CO 0.50 0.18 0.31 0.00 0.24 0.00 0.00 174.94 176.17 1m58 s ILE 89 N 1.66 2.20 -0.35 0.00 -5.25 -0.73 -0.44 121.20 118.28 1m58 s ILE 89 Ca 0.04 -1.52 -0.04 0.00 -0.99 0.00 0.00 60.65 58.14 1m58 s ILE 89 Cb -0.20 -2.71 0.06 0.00 2.95 0.00 0.00 42.46 42.56 1m58 s ILE 89 CO 0.09 0.00 0.11 -0.89 -1.79 0.00 0.00 174.94 172.46 1m58 s THR 90 N -2.62 3.46 0.47 8.37 2.01 -0.73 -0.67 115.64 125.94 1m58 s THR 90 Ca 0.41 -1.47 -0.20 0.00 0.31 0.00 0.00 61.69 60.73 1m58 s THR 90 Cb -0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.32 1m58 s THR 90 CO 0.24 -0.32 1.00 0.00 -0.69 0.00 0.00 174.62 174.85 1m58 s GLU 92 N -3.25 0.46 -1.12 0.00 2.12 0.83 -1.84 118.70 115.89 1m58 s GLU 92 Ca 0.65 1.11 -0.05 0.00 0.36 0.00 0.00 54.97 57.05 1m58 s GLU 92 Cb -0.13 0.67 -0.04 0.00 0.26 0.00 0.00 34.13 34.88 1m58 s GLU 92 CO 0.18 -0.20 0.92 0.09 -0.54 0.00 0.00 175.26 175.70 1m58 n ASN 93 N 5.28 -4.81 -0.73 -1.70 4.13 0.22 -2.19 115.26 115.46 1m58 n ASN 93 Ca -0.10 -0.71 -0.09 0.00 1.68 0.00 0.00 54.58 55.36 1m58 n ASN 93 Cb 0.51 -4.98 -0.04 0.00 -1.54 0.00 0.00 39.78 33.73 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1m58 n LYS 94 N -3.64 -1.75 -3.71 3.52 5.02 -1.01 -4.93 118.16 111.67 1m58 n LYS 94 Ca -0.15 0.81 -0.14 0.00 -2.02 0.00 0.00 58.31 56.81 1m58 n LYS 94 Cb 0.64 -5.21 -0.09 0.00 -0.02 0.00 0.00 35.03 30.34 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 -2.14 0.30 0.41 -0.35 0.05 -0.93 -4.31 118.68 111.71 1m58 s LEU 95 Ca 0.00 0.79 -0.17 0.00 0.05 0.00 0.00 54.13 54.80 1m58 s LEU 95 Cb 0.00 1.57 -0.09 0.00 -2.05 0.00 0.00 46.19 45.62 1m58 s LEU 95 CO 0.00 -0.22 0.86 -2.16 -0.55 0.00 0.00 176.35 174.28 1m58 s PRO 96 N -0.06 4.04 0.00 1.48 0.04 -1.26 -0.12 135.00 139.11 1m58 s PRO 96 Ca -0.03 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1m58 s PRO 96 Cb -0.03 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1m58 s PRO 96 CO 0.02 -0.02 0.57 1.33 0.04 0.00 0.00 177.00 178.94 1m58 n VAL 97 N -0.84 0.00 -3.43 -0.36 0.24 -1.02 -3.84 118.33 109.09 1m58 n VAL 97 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1m58 n VAL 97 Cb 0.54 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.52 -0.26 6.34 3.76 -1.26 -4.88 115.29 118.48 1m58 s HIS 98 Ca 0.00 0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.24 1m58 s HIS 98 Cb 0.00 0.55 0.05 0.00 1.11 0.00 0.00 32.58 34.29 1m58 s HIS 98 CO 0.00 -0.81 -0.07 -0.59 -0.85 0.00 0.00 174.74 172.42 1m58 s PHE 99 N -3.63 3.19 -0.04 1.40 -0.71 -1.26 -1.78 117.98 115.16 1m58 s PHE 99 Ca 0.01 -1.99 -0.12 0.00 -1.04 0.00 0.00 56.93 53.79 1m58 s PHE 99 Cb -0.01 -2.01 -0.32 0.00 -1.21 0.00 0.00 43.02 39.48 1m58 s PHE 99 CO -0.12 -0.82 0.71 0.28 -1.34 0.00 0.00 175.22 173.93 1m58 h VAL 100 N 6.50 0.99 -2.20 -2.49 2.07 -1.04 -3.49 116.25 116.59 1m58 h VAL 100 Ca -0.24 -2.54 0.01 0.00 0.82 0.00 0.00 66.70 64.75 1m58 h VAL 100 Cb 1.07 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1m58 h VAL 100 CO 0.52 0.85 0.13 0.00 0.02 0.00 0.00 177.57 179.08 1m58 n ALA 101 N -2.85 -0.70 -1.28 1.67 0.00 -0.70 -5.00 120.51 111.65 1m58 n ALA 101 Ca -0.24 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1m58 n ALA 101 Cb 1.08 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.82 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 -0.20 0.00 -0.03 0.00 0.24 -1.26 -0.73 118.33 116.34 1m58 n VAL 102 Ca -0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.18 1m58 n VAL 102 Cb 0.20 -0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 32.14 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 -0.32 -3.19 7.34 4.81 -1.94 -2.70 114.58 118.59 1m58 h GLU 103 Ca 0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1m58 h GLU 103 Cb 0.00 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 1m58 h GLU 103 CO 0.00 -0.21 0.12 -2.00 -0.73 0.00 0.00 179.01 176.19 1m58 s GLU 104 N -6.03 1.58 0.24 1.92 2.12 -1.26 -4.72 118.70 112.55 1m58 s GLU 104 Ca -0.15 -0.93 0.08 0.00 0.36 0.00 0.00 54.97 54.33 1m58 s GLU 104 Cb 0.11 0.56 -0.04 0.00 0.26 0.00 0.00 34.13 35.02 1m58 s GLU 104 CO 0.67 -0.70 0.04 0.00 -0.54 0.00 0.00 175.26 174.73