#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 3.11 0.48 0.03 1.11 -1.26 -4.95 119.66 118.18 1m58 s GLN 2 Ca 0.00 0.90 0.05 0.00 0.01 0.00 0.00 55.36 56.31 1m58 s GLN 2 Cb 0.00 -4.23 -0.02 0.00 -1.01 0.00 0.00 33.01 27.75 1m58 s GLN 2 CO 0.00 -2.14 0.15 1.21 0.01 0.00 0.00 175.29 174.52 1m58 s ASN 3 N 6.21 4.30 0.45 5.90 3.84 -1.26 -5.01 114.94 129.37 1m58 s ASN 3 Ca 0.68 -1.36 0.18 0.00 0.21 0.00 0.00 52.86 52.57 1m58 s ASN 3 Cb -0.16 0.10 1.08 0.00 -0.55 0.00 0.00 41.25 41.72 1m58 s ASN 3 CO 0.27 -0.77 1.98 4.11 -2.79 0.00 0.00 177.10 179.90 1m58 h TRP 4 N 1.28 0.00 -0.74 0.43 5.08 -1.89 -1.75 115.95 118.36 1m58 h TRP 4 Ca -0.42 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.55 1m58 h TRP 4 Cb 1.28 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.41 1m58 h TRP 4 CO 1.04 0.21 0.45 0.93 -1.28 0.00 0.00 178.44 179.79 1m58 h GLU 5 N 0.00 1.00 -0.16 0.12 4.39 -1.95 0.14 114.58 118.11 1m58 h GLU 5 Ca -0.00 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1m58 h GLU 5 Cb 0.41 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1m58 h GLU 5 CO 0.03 0.69 -0.38 1.15 -1.16 0.00 0.00 179.01 179.34 1m58 h THR 6 N 1.02 1.30 0.88 1.13 2.02 -1.69 -2.07 112.91 115.49 1m58 h THR 6 Ca 0.27 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 1m58 h THR 6 Cb -0.05 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1m58 h THR 6 CO -0.05 0.46 -0.42 0.15 0.37 0.00 0.00 175.52 176.02 1m58 h PHE 7 N 0.30 -1.10 -0.46 3.16 3.57 -0.75 -2.50 116.94 119.17 1m58 h PHE 7 Ca 0.03 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1m58 h PHE 7 Cb 0.81 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1m58 h PHE 7 CO 0.02 -0.68 0.32 0.37 -2.23 0.00 0.00 178.31 176.11 1m58 h GLN 8 N -1.27 0.19 0.70 1.11 4.15 -1.25 0.15 115.11 118.90 1m58 h GLN 8 Ca -0.12 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1m58 h GLN 8 Cb 0.91 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.56 1m58 h GLN 8 CO 0.20 0.13 -0.34 0.87 -1.93 0.00 0.00 178.83 177.76 1m58 h LYS 9 N 0.20 -0.91 0.00 1.69 1.57 -1.14 -0.04 116.57 117.94 1m58 h LYS 9 Ca 0.21 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1m58 h LYS 9 Cb 0.58 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1m58 h LYS 9 CO -0.04 -0.58 -0.33 0.87 -0.57 0.00 0.00 179.45 178.80 1m58 h LYS 10 N -1.03 0.00 0.00 3.15 1.57 -1.19 -3.41 116.57 115.66 1m58 h LYS 10 Ca -0.10 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1m58 h LYS 10 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1m58 h LYS 10 CO 0.16 0.01 -1.52 0.72 -0.57 0.00 0.00 179.45 178.25 1m58 n HIS 11 N -2.97 0.00 -3.30 -1.35 8.25 0.51 -4.70 115.22 111.66 1m58 n HIS 11 Ca 0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 1m58 n HIS 11 Cb 0.54 -0.63 -0.06 0.00 1.12 0.00 0.00 29.99 30.97 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 -7.59 4.32 0.27 2.41 1.02 -0.03 0.61 118.68 119.68 1m58 s LEU 12 Ca -0.29 1.15 0.02 0.00 0.02 0.00 0.00 54.13 55.03 1m58 s LEU 12 Cb 0.08 -3.39 -0.05 0.00 0.02 0.00 0.00 46.19 42.84 1m58 s LEU 12 CO 0.40 0.07 0.08 -0.89 0.02 0.00 0.00 176.35 176.02 1m58 s THR 13 N -1.52 0.74 -0.21 5.49 2.01 0.02 -4.42 115.64 117.75 1m58 s THR 13 Ca 0.40 -2.00 0.14 0.00 0.31 0.00 0.00 61.69 60.54 1m58 s THR 13 Cb -0.15 -2.62 0.44 0.00 0.01 0.00 0.00 72.50 70.18 1m58 s THR 13 CO 0.20 -0.05 1.33 -0.90 -0.69 0.00 0.00 174.62 174.50 1m58 n ASP 14 N -0.50 2.61 -3.79 3.53 5.75 -1.26 -3.50 116.55 119.40 1m58 n ASP 14 Ca -0.01 -3.46 -0.14 0.00 -0.01 0.00 0.00 54.79 51.17 1m58 n ASP 14 Cb 0.66 -0.54 -0.15 0.00 -1.03 0.00 0.00 41.12 40.06 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1m58 s THR 15 N -3.06 -0.04 -2.36 2.12 -4.23 -1.26 -5.03 115.64 101.78 1m58 s THR 15 Ca 0.40 0.16 0.24 0.00 -1.18 0.00 0.00 61.69 61.30 1m58 s THR 15 Cb 0.35 -0.10 0.51 0.00 1.34 0.00 0.00 72.50 74.60 1m58 s THR 15 CO 0.01 0.06 1.65 -1.14 -0.54 0.00 0.00 174.62 174.66 1m58 n ARG 16 N 3.91 1.68 -0.92 3.99 0.63 -1.26 -3.90 116.66 120.79 1m58 n ARG 16 Ca -0.24 -1.00 -0.09 0.00 -0.92 0.00 0.00 57.85 55.60 1m58 n ARG 16 Cb 0.53 -1.43 0.19 0.00 0.45 0.00 0.00 32.46 32.20 1m58 n ARG 16 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1m58 n ASP 17 N 0.22 2.76 -4.62 6.15 2.03 -1.26 -5.04 116.55 116.79 1m58 n ASP 17 Ca 0.17 -3.77 -0.38 0.00 0.52 0.00 0.00 54.79 51.33 1m58 n ASP 17 Cb 0.33 -0.67 0.05 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.12 3.47 -4.14 5.18 0.31 -1.25 -5.02 118.33 115.75 1m58 n VAL 18 Ca 0.39 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 64.02 1m58 n VAL 18 Cb 1.14 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 1m58 n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1m58 n LYS 19 N -0.81 1.07 0.00 5.55 5.02 -1.26 -5.09 118.16 122.65 1m58 n LYS 19 Ca 0.13 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 1m58 n LYS 19 Cb 0.46 0.46 0.00 0.00 -0.02 0.00 0.00 35.03 35.93 1m58 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m58 h ASP 21 N 0.00 -0.19 0.39 0.00 1.82 -1.87 -2.21 116.42 114.36 1m58 h ASP 21 Ca 0.00 0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 1m58 h ASP 21 Cb 0.62 0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.69 1m58 h ASP 21 CO 0.00 -0.09 -1.04 0.00 -1.61 0.00 0.00 179.24 176.50 1m58 h ALA 22 N -1.81 0.27 0.51 -0.78 0.00 -1.91 -2.58 119.26 112.96 1m58 h ALA 22 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1m58 h ALA 22 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1m58 h ALA 22 CO 0.04 0.84 -0.24 1.49 0.00 0.00 0.00 179.25 181.37 1m58 h GLU 23 N 0.20 -0.66 -0.13 0.00 4.22 -1.79 -2.99 114.58 113.43 1m58 h GLU 23 Ca -0.10 0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.32 1m58 h GLU 23 Cb 1.70 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 1m58 h GLU 23 CO 0.18 -0.38 -0.18 1.98 -2.18 0.00 0.00 179.01 178.43 1m58 h MET 24 N -0.82 0.21 -0.20 1.92 4.05 -1.52 -2.56 114.93 116.01 1m58 h MET 24 Ca -0.07 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1m58 h MET 24 Cb 0.58 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1m58 h MET 24 CO 0.11 0.40 0.23 -0.22 0.23 0.00 0.00 176.91 177.66 1m58 h LYS 25 N 0.20 0.00 -6.47 0.39 1.63 -1.31 0.84 116.57 111.85 1m58 h LYS 25 Ca 0.04 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.24 1m58 h LYS 25 Cb 0.44 0.00 0.12 0.00 -0.60 0.00 0.00 32.23 32.20 1m58 h LYS 25 CO 0.03 0.00 -0.01 1.63 -3.45 0.00 0.00 179.45 177.65 1m58 n LYS 26 N -3.76 1.11 0.11 1.90 5.02 -0.97 -4.05 118.16 117.52 1m58 n LYS 26 Ca 0.02 0.39 0.20 0.00 -2.02 0.00 0.00 58.31 56.90 1m58 n LYS 26 Cb 0.35 -1.78 0.75 0.00 -0.02 0.00 0.00 35.03 34.33 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m58 h ALA 27 N 1.55 2.07 -0.20 7.82 0.00 -1.91 0.77 119.26 129.35 1m58 h ALA 27 Ca -0.40 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1m58 h ALA 27 Cb 1.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1m58 h ALA 27 CO 0.57 -0.61 0.17 1.25 0.00 0.00 0.00 179.25 180.63 1m58 h LEU 28 N 0.00 0.00 0.00 0.00 5.85 -1.88 -3.26 115.31 116.02 1m58 h LEU 28 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1m58 h LEU 28 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1m58 h LEU 28 CO -0.00 0.00 -0.85 0.49 -0.34 0.00 0.00 178.44 177.73 1m58 n PHE 29 N -4.23 0.00 -3.09 1.25 3.72 0.52 -5.04 117.46 110.59 1m58 n PHE 29 Ca 0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1m58 n PHE 29 Cb 0.30 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.05 -4.15 -3.37 4.37 -0.08 0.24 -3.35 116.55 108.16 1m58 n ASP 30 Ca 0.00 -0.32 -0.17 0.00 -1.51 0.00 0.00 54.79 52.79 1m58 n ASP 30 Cb 0.43 -3.13 0.07 0.00 2.34 0.00 0.00 41.12 40.83 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m58 n LYS 32 N -3.69 2.60 -0.20 0.00 4.76 -1.21 -4.90 118.16 115.52 1m58 n LYS 32 Ca -0.17 0.92 -0.06 0.00 -2.87 0.00 0.00 58.31 56.13 1m58 n LYS 32 Cb 0.64 -2.67 0.03 0.00 -1.84 0.00 0.00 35.03 31.19 1m58 n LYS 32 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1m58 h GLN 33 N 4.26 0.77 -4.29 1.97 3.07 -1.92 -3.43 115.11 115.54 1m58 h GLN 33 Ca -0.47 -0.06 -0.39 0.00 0.09 0.00 0.00 58.65 57.82 1m58 h GLN 33 Cb 1.24 -0.17 -0.31 0.00 0.08 0.00 0.00 27.48 28.32 1m58 h GLN 33 CO 0.75 0.54 -0.77 0.15 0.09 0.00 0.00 178.83 179.58 1m58 s LYS 34 N -6.06 0.75 -0.23 0.06 1.02 -1.26 -0.30 119.74 113.72 1m58 s LYS 34 Ca -0.13 -0.19 -0.14 0.00 0.02 0.00 0.00 55.97 55.53 1m58 s LYS 34 Cb 0.13 -0.73 0.07 0.00 -0.52 0.00 0.00 37.83 36.77 1m58 s LYS 34 CO 0.76 0.04 0.57 -0.80 -0.92 0.00 0.00 175.35 175.00 1m58 s ASN 35 N 0.38 -0.75 -0.37 2.83 -0.87 -0.83 -5.01 114.94 110.32 1m58 s ASN 35 Ca -0.05 1.24 -0.12 0.00 -1.57 0.00 0.00 52.86 52.36 1m58 s ASN 35 Cb -0.09 1.13 0.02 0.00 -0.02 0.00 0.00 41.25 42.29 1m58 s ASN 35 CO 0.00 -0.22 0.23 -0.89 -2.57 0.00 0.00 177.10 173.65 1m58 s THR 36 N 1.41 4.81 0.16 1.60 2.01 -1.26 -0.32 115.64 124.05 1m58 s THR 36 Ca -0.09 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1m58 s THR 36 Cb -0.06 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1m58 s THR 36 CO -0.15 -0.21 0.26 -0.36 -0.69 0.00 0.00 174.62 173.47 1m58 s PHE 37 N 1.61 3.39 0.14 4.92 0.08 0.71 -4.58 117.98 124.25 1m58 s PHE 37 Ca 0.03 0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.17 1m58 s PHE 37 Cb -0.19 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1m58 s PHE 37 CO 0.08 0.51 -0.02 0.42 -0.10 0.00 0.00 175.22 176.11 1m58 s ILE 38 N -1.78 0.65 -0.27 0.64 1.01 0.20 -0.86 121.20 120.78 1m58 s ILE 38 Ca 0.34 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.01 1m58 s ILE 38 Cb -0.11 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1m58 s ILE 38 CO 0.27 -0.62 -0.04 -0.31 0.00 0.00 0.00 174.94 174.24 1m58 s TYR 39 N -3.67 3.18 -0.05 3.97 2.02 -1.02 -0.80 117.35 120.98 1m58 s TYR 39 Ca 0.19 -1.79 -0.31 0.00 -0.37 0.00 0.00 57.07 54.79 1m58 s TYR 39 Cb 0.06 -2.07 0.13 0.00 -0.40 0.00 0.00 41.96 39.68 1m58 s TYR 39 CO 0.01 -0.78 1.34 0.00 -1.57 0.00 0.00 175.55 174.55 1m58 s ALA 40 N 1.27 -2.34 0.43 3.71 0.00 -1.23 -4.51 121.76 119.08 1m58 s ALA 40 Ca -0.03 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.80 1m58 s ALA 40 Cb -0.18 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1m58 s ALA 40 CO -0.03 -1.06 0.57 1.03 0.00 0.00 0.00 175.76 176.28 1m58 s ARG 41 N -2.27 2.77 0.25 0.00 0.52 -1.26 -4.60 118.95 114.36 1m58 s ARG 41 Ca 0.15 -1.29 0.09 0.00 -0.52 0.00 0.00 55.73 54.15 1m58 s ARG 41 Cb 0.06 -2.73 0.28 0.00 0.52 0.00 0.00 34.95 33.08 1m58 s ARG 41 CO -0.05 -0.31 1.57 -1.00 0.02 0.00 0.00 175.30 175.53 1m58 h PRO 42 N 0.63 0.06 -0.10 3.54 0.13 -2.00 -2.94 132.00 131.32 1m58 h PRO 42 Ca -0.39 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1m58 h PRO 42 Cb 1.28 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1m58 h PRO 42 CO 0.45 0.69 -0.43 0.78 -0.23 0.00 0.00 178.00 179.26 1m58 h GLY 43 N 1.84 0.24 1.90 1.56 0.00 -2.00 -2.42 103.07 104.19 1m58 h GLY 43 Ca -0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1m58 h GLY 43 CO 0.09 0.21 -0.42 3.21 0.00 0.00 0.00 176.54 179.64 1m58 h ARG 44 N 0.18 0.11 -0.43 4.80 3.08 -1.92 -2.43 114.38 117.77 1m58 h ARG 44 Ca 0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1m58 h ARG 44 Cb 0.85 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1m58 h ARG 44 CO 0.07 0.52 -0.02 0.28 -1.07 0.00 0.00 179.97 179.74 1m58 h VAL 45 N 0.10 1.26 -0.88 2.04 2.07 -1.32 -2.76 116.25 116.76 1m58 h VAL 45 Ca 0.01 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1m58 h VAL 45 Cb 0.78 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1m58 h VAL 45 CO 0.06 0.37 0.58 1.56 0.02 0.00 0.00 177.57 180.15 1m58 h GLN 46 N 0.62 1.12 -0.46 1.57 4.20 -1.17 0.83 115.11 121.82 1m58 h GLN 46 Ca 0.12 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1m58 h GLN 46 Cb 0.53 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1m58 h GLN 46 CO 0.03 0.74 0.31 0.00 -0.67 0.00 0.00 178.83 179.24 1m58 h ALA 47 N 1.34 1.83 0.00 3.87 0.00 -1.16 0.94 119.26 126.09 1m58 h ALA 47 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1m58 h ALA 47 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1m58 h ALA 47 CO -0.09 0.11 -1.04 1.28 0.00 0.00 0.00 179.25 179.50 1m58 n LEU 48 N -4.48 0.72 -0.04 0.00 4.77 -0.65 -4.24 117.00 113.09 1m58 n LEU 48 Ca 0.05 0.24 0.05 0.00 -0.03 0.00 0.00 56.01 56.32 1m58 n LEU 48 Cb 0.17 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1m58 n LEU 48 CO 0.35 -0.12 0.53 0.00 -1.33 0.00 0.00 177.39 176.82 1m58 n LYS 50 N -0.96 2.47 0.00 0.00 4.76 0.32 -4.04 118.16 120.71 1m58 n LYS 50 Ca 0.08 -2.78 0.00 0.00 -2.87 0.00 0.00 58.31 52.74 1m58 n LYS 50 Cb 0.45 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 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 -0.03 2.55 -4.20 4.39 0.23 -1.26 -5.04 115.26 111.91 1m58 n ASN 51 Ca 0.50 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.40 1m58 n ASN 51 Cb 0.48 0.39 -0.11 0.00 -2.08 0.00 0.00 39.78 38.46 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1m58 s ILE 52 N -1.25 1.04 -0.06 1.53 1.01 -1.26 -5.05 121.20 117.16 1m58 s ILE 52 Ca 0.00 -1.68 -0.00 0.00 0.00 0.00 0.00 60.65 58.97 1m58 s ILE 52 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1m58 s ILE 52 CO 0.00 -0.54 -0.06 -0.38 0.00 0.00 0.00 174.94 173.96 1m58 n ILE 53 N 0.51 0.35 -1.25 2.92 5.41 -1.26 -2.60 119.36 123.45 1m58 n ILE 53 Ca -0.16 -0.12 -0.21 0.00 1.00 0.00 0.00 62.75 63.26 1m58 n ILE 53 Cb 0.58 -0.92 0.16 0.00 -0.71 0.00 0.00 39.64 38.75 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 -2.82 0.00 -2.31 1.39 0.24 -1.26 0.10 118.33 113.67 1m58 n VAL 54 Ca -0.11 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.26 1m58 n VAL 54 Cb 0.61 -1.40 -0.02 0.00 -1.47 0.00 0.00 33.84 31.56 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 -3.98 6.89 0.29 -1.34 1.04 -1.26 -4.13 113.70 111.21 1m58 s SER 55 Ca 0.51 1.89 -0.17 0.00 0.48 0.00 0.00 55.95 58.67 1m58 s SER 55 Cb -0.03 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1m58 s SER 55 CO 0.38 -0.76 0.64 -0.54 0.98 0.00 0.00 173.24 173.95 1m58 s LYS 56 N 3.18 1.79 -0.14 4.02 1.02 -1.03 -5.00 119.74 123.58 1m58 s LYS 56 Ca 0.60 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1m58 s LYS 56 Cb -0.26 0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1m58 s LYS 56 CO 0.21 -0.80 -0.14 -0.80 -0.92 0.00 0.00 175.35 172.90 1m58 s ASN 57 N -2.99 3.86 0.29 2.83 0.01 -1.26 0.05 114.94 117.73 1m58 s ASN 57 Ca 0.16 -0.39 0.10 0.00 -0.71 0.00 0.00 52.86 52.02 1m58 s ASN 57 Cb -0.04 -1.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.98 1m58 s ASN 57 CO 0.09 0.13 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.97 1m58 s VAL 58 N 0.55 2.23 -0.07 1.60 1.01 0.06 -4.92 120.40 120.85 1m58 s VAL 58 Ca -0.09 -2.29 -0.01 0.00 0.00 0.00 0.00 61.98 59.58 1m58 s VAL 58 Cb -0.16 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1m58 s VAL 58 CO 0.04 -0.35 0.01 -0.76 0.00 0.00 0.00 175.10 174.03 1m58 s LEU 59 N -3.51 0.57 0.12 3.92 1.43 -1.26 -1.27 118.68 118.68 1m58 s LEU 59 Ca 0.30 -0.09 -0.35 0.00 -1.03 0.00 0.00 54.13 52.96 1m58 s LEU 59 Cb -0.01 -0.42 -0.14 0.00 0.03 0.00 0.00 46.19 45.64 1m58 s LEU 59 CO 0.14 -0.20 1.55 -1.54 0.23 0.00 0.00 176.35 176.53 1m58 n SER 60 N 5.16 2.78 -0.05 2.29 3.41 -1.02 -4.88 113.62 121.31 1m58 n SER 60 Ca -0.07 1.08 -0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1m58 n SER 60 Cb 0.50 -1.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.09 1m58 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m58 h THR 61 N 3.70 1.29 -3.12 6.66 1.03 -1.96 -3.41 112.91 117.09 1m58 h THR 61 Ca -0.46 -1.72 -0.49 0.00 -0.01 0.00 0.00 66.41 63.73 1m58 h THR 61 Cb 1.27 1.64 0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1m58 h THR 61 CO 0.87 0.55 -0.11 -0.62 -0.01 0.00 0.00 175.52 176.21 1m58 s ASP 62 N -6.92 6.35 -0.12 0.00 -1.08 -1.26 -4.99 116.67 108.65 1m58 s ASP 62 Ca -0.09 0.66 -0.22 0.00 -0.52 0.00 0.00 52.55 52.37 1m58 s ASP 62 Cb 0.11 -2.12 -0.03 0.00 -1.46 0.00 0.00 42.92 39.41 1m58 s ASP 62 CO 0.87 -0.32 0.68 -1.61 0.52 0.00 0.00 175.17 175.31 1m58 s GLU 63 N -4.11 4.36 0.13 4.34 2.02 -1.26 -4.47 118.70 119.70 1m58 s GLU 63 Ca 0.43 0.79 0.05 0.00 0.02 0.00 0.00 54.97 56.26 1m58 s GLU 63 Cb -0.10 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 1m58 s GLU 63 CO 0.35 -0.05 0.07 -0.06 0.02 0.00 0.00 175.26 175.60 1m58 s PHE 64 N 1.22 3.08 0.06 1.61 0.08 -0.60 -4.62 117.98 118.81 1m58 s PHE 64 Ca 0.34 -0.01 -0.31 0.00 0.12 0.00 0.00 56.93 57.07 1m58 s PHE 64 Cb -0.17 -1.52 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1m58 s PHE 64 CO 0.15 0.51 1.41 0.71 -0.10 0.00 0.00 175.22 177.90 1m58 s TYR 65 N -1.57 3.02 -0.21 0.36 2.02 -1.26 -1.73 117.35 117.97 1m58 s TYR 65 Ca 0.29 0.86 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 1m58 s TYR 65 Cb -0.11 -3.68 0.05 0.00 -0.40 0.00 0.00 41.96 37.81 1m58 s TYR 65 CO 0.21 -2.48 -0.10 -0.51 -1.57 0.00 0.00 175.55 171.10 1m58 s LEU 66 N 1.76 2.52 -0.26 -1.29 1.43 0.51 -2.44 118.68 120.91 1m58 s LEU 66 Ca 0.65 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1m58 s LEU 66 Cb -0.34 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1m58 s LEU 66 CO 0.29 -0.16 0.06 -0.55 0.23 0.00 0.00 176.35 176.22 1m58 s SER 67 N 1.34 5.02 0.11 2.29 0.15 -0.04 -2.41 113.70 120.15 1m58 s SER 67 Ca -0.03 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.26 1m58 s SER 67 Cb -0.17 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1m58 s SER 67 CO -0.08 -0.09 -0.16 1.51 1.20 0.00 0.00 173.24 175.62 1m58 s ASP 68 N 1.55 2.13 -0.17 5.45 -4.77 -0.85 -0.21 116.67 119.81 1m58 s ASP 68 Ca 0.05 -0.73 -0.10 0.00 -3.30 0.00 0.00 52.55 48.47 1m58 s ASP 68 Cb -0.16 -0.09 -0.05 0.00 -1.09 0.00 0.00 42.92 41.53 1m58 s ASP 68 CO 0.02 -0.06 0.16 0.00 0.70 0.00 0.00 175.17 175.99 1m58 s ASN 70 N -0.02 2.56 -0.47 0.00 2.20 -1.00 -1.97 114.94 116.23 1m58 s ASN 70 Ca 0.11 -0.43 -0.27 0.00 -0.94 0.00 0.00 52.86 51.32 1m58 s ASN 70 Cb -0.12 -0.87 -0.03 0.00 -2.00 0.00 0.00 41.25 38.24 1m58 s ASN 70 CO 0.01 0.16 1.91 -0.60 -2.94 0.00 0.00 177.10 175.64 1m58 s ARG 71 N 0.13 2.87 -0.04 3.55 3.00 0.59 -2.71 118.95 126.34 1m58 s ARG 71 Ca -0.08 1.08 0.00 0.00 -1.00 0.00 0.00 55.73 55.73 1m58 s ARG 71 Cb -0.14 -4.33 -0.03 0.00 0.00 0.00 0.00 34.95 30.45 1m58 s ARG 71 CO 0.04 -2.42 -0.03 1.51 0.00 0.00 0.00 175.30 174.40 1m58 n ILE 72 N 7.40 0.23 -3.37 4.11 3.06 -1.26 -4.98 119.36 124.56 1m58 n ILE 72 Ca 0.24 -0.09 -0.15 0.00 -2.50 0.00 0.00 62.75 60.24 1m58 n ILE 72 Cb 0.50 -0.66 -0.08 0.00 0.54 0.00 0.00 39.64 39.94 1m58 n ILE 72 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1m58 s LYS 73 N -2.08 0.43 1.16 9.51 2.36 -1.21 -5.11 119.74 124.80 1m58 s LYS 73 Ca -0.05 -0.27 -0.17 0.00 -2.55 0.00 0.00 55.97 52.93 1m58 s LYS 73 Cb 0.01 -0.59 0.18 0.00 -1.05 0.00 0.00 37.83 36.39 1m58 s LYS 73 CO 0.09 -1.08 0.37 1.28 1.55 0.00 0.00 175.35 177.56 1m58 n LEU 74 N 5.03 -2.22 -0.03 5.43 4.32 -1.26 -3.39 117.00 124.88 1m58 n LEU 74 Ca 0.02 -0.17 -0.01 0.00 -0.02 0.00 0.00 56.01 55.83 1m58 n LEU 74 Cb 0.47 -1.06 -0.00 0.00 -1.62 0.00 0.00 43.42 41.21 1m58 n LEU 74 CO 0.02 -3.19 -0.04 1.55 -1.22 0.00 0.00 177.39 174.51 1m58 h PRO 75 N -2.35 0.00 -0.46 3.23 0.13 -2.01 -3.40 132.00 127.13 1m58 h PRO 75 Ca -0.58 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1m58 h PRO 75 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1m58 h PRO 75 CO 0.43 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.21 1m58 s HIS 77 N -2.81 3.67 0.48 0.00 5.04 -1.22 -4.41 115.29 116.04 1m58 s HIS 77 Ca 0.50 -1.90 0.06 0.00 -1.54 0.00 0.00 55.06 52.19 1m58 s HIS 77 Cb 0.39 -3.86 0.00 0.00 0.04 0.00 0.00 32.58 29.15 1m58 s HIS 77 CO 0.13 -1.04 0.35 0.71 -2.34 0.00 0.00 174.74 172.55 1m58 s TYR 78 N 0.49 2.14 0.44 3.88 2.02 -1.26 -3.31 117.35 121.74 1m58 s TYR 78 Ca 0.19 -0.69 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 1m58 s TYR 78 Cb -0.11 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1m58 s TYR 78 CO -0.08 -0.24 0.25 0.15 -1.57 0.00 0.00 175.55 174.06 1m58 s LYS 79 N -4.16 2.29 -0.04 -0.62 -0.14 -1.10 -4.81 119.74 111.16 1m58 s LYS 79 Ca 0.39 -1.85 0.01 0.00 -1.36 0.00 0.00 55.97 53.17 1m58 s LYS 79 Cb -0.01 -2.05 0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1m58 s LYS 79 CO 0.23 -0.24 -0.04 -1.17 -0.76 0.00 0.00 175.35 173.37 1m58 s LEU 80 N -4.02 1.42 -0.13 3.17 2.96 -1.26 -2.38 118.68 118.43 1m58 s LEU 80 Ca 0.39 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1m58 s LEU 80 Cb 0.01 -0.39 0.02 0.00 0.50 0.00 0.00 46.19 46.33 1m58 s LEU 80 CO 0.22 -0.04 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.52 1m58 s LYS 81 N 0.75 2.28 -0.15 1.98 1.02 -0.84 -4.96 119.74 119.83 1m58 s LYS 81 Ca -0.10 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.34 1m58 s LYS 81 Cb -0.13 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1m58 s LYS 81 CO -0.00 -0.15 -0.18 -1.59 -0.92 0.00 0.00 175.35 172.51 1m58 s LYS 82 N 1.25 3.14 0.11 1.68 -2.85 -1.26 -2.00 119.74 119.81 1m58 s LYS 82 Ca -0.01 -0.79 -0.19 0.00 -1.00 0.00 0.00 55.97 53.98 1m58 s LYS 82 Cb -0.14 -2.54 0.05 0.00 -2.06 0.00 0.00 37.83 33.14 1m58 s LYS 82 CO -0.06 0.02 0.48 0.45 0.10 0.00 0.00 175.35 176.33 1m58 s SER 83 N 0.78 -0.37 -0.32 0.03 0.15 -1.01 -4.94 113.70 108.02 1m58 s SER 83 Ca -0.07 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 1m58 s SER 83 Cb -0.16 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1m58 s SER 83 CO -0.00 -0.84 0.38 -0.44 1.20 0.00 0.00 173.24 173.53 1m58 s SER 84 N -2.57 6.21 0.18 5.45 0.01 -1.26 -0.37 113.70 121.36 1m58 s SER 84 Ca 0.00 -0.05 -0.20 0.00 1.31 0.00 0.00 55.95 57.01 1m58 s SER 84 Cb 0.00 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 64.07 1m58 s SER 84 CO -0.10 -0.30 0.57 0.21 0.41 0.00 0.00 173.24 174.03 1m58 s ASN 85 N 1.71 -0.39 0.71 2.44 2.47 -0.71 -4.80 114.94 116.37 1m58 s ASN 85 Ca 0.13 -0.28 -0.11 0.00 0.42 0.00 0.00 52.86 53.02 1m58 s ASN 85 Cb -0.16 0.60 0.02 0.00 -1.45 0.00 0.00 41.25 40.25 1m58 s ASN 85 CO 0.11 -1.04 1.09 0.42 -3.72 0.00 0.00 177.10 173.97 1m58 s THR 86 N -3.82 3.59 0.01 -5.21 -4.23 -1.26 -1.55 115.64 103.16 1m58 s THR 86 Ca 0.05 0.51 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1m58 s THR 86 Cb -0.01 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1m58 s THR 86 CO -0.07 -0.67 -0.05 0.27 -0.54 0.00 0.00 174.62 173.56 1m58 s ILE 87 N -3.30 0.37 -0.27 2.99 -4.36 -1.26 -3.51 121.20 111.86 1m58 s ILE 87 Ca 0.58 -0.41 -0.10 0.00 -0.26 0.00 0.00 60.65 60.46 1m58 s ILE 87 Cb -0.12 -0.36 -0.04 0.00 1.25 0.00 0.00 42.46 43.20 1m58 s ILE 87 CO 0.52 -0.04 0.15 0.00 0.24 0.00 0.00 174.94 175.82 1m58 s ILE 89 N 1.65 1.23 -0.37 0.00 -4.36 -0.40 -0.28 121.20 118.66 1m58 s ILE 89 Ca 0.07 -2.06 -0.17 0.00 -0.26 0.00 0.00 60.65 58.23 1m58 s ILE 89 Cb -0.16 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.19 1m58 s ILE 89 CO 0.08 -0.32 0.45 -0.89 0.24 0.00 0.00 174.94 174.50 1m58 s THR 90 N -3.29 5.08 0.40 8.37 2.01 0.66 -0.76 115.64 128.10 1m58 s THR 90 Ca 0.28 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 1m58 s THR 90 Cb 0.05 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1m58 s THR 90 CO 0.09 -0.24 0.85 0.00 -0.69 0.00 0.00 174.62 174.63 1m58 s GLU 92 N -3.36 0.38 -1.04 0.00 2.56 -0.57 -2.47 118.70 114.20 1m58 s GLU 92 Ca 0.57 0.79 -0.07 0.00 0.00 0.00 0.00 54.97 56.26 1m58 s GLU 92 Cb -0.10 0.46 -0.06 0.00 2.00 0.00 0.00 34.13 36.43 1m58 s GLU 92 CO 0.21 -0.30 0.90 -1.71 -0.56 0.00 0.00 175.26 173.79 1m58 n ASN 93 N 5.32 -6.62 -1.74 -1.70 5.15 0.29 -2.14 115.26 113.82 1m58 n ASN 93 Ca -0.06 -0.70 -0.05 0.00 -0.60 0.00 0.00 54.58 53.16 1m58 n ASN 93 Cb 0.52 -5.07 -0.01 0.00 -0.53 0.00 0.00 39.78 34.69 1m58 n ASN 93 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1m58 n LYS 94 N -3.22 -1.80 -3.69 1.20 0.00 -1.07 -4.88 118.16 104.70 1m58 n LYS 94 Ca -0.07 0.30 -0.12 0.00 -0.00 0.00 0.00 58.31 58.42 1m58 n LYS 94 Cb 0.61 -4.60 -0.12 0.00 -0.00 0.00 0.00 35.03 30.92 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1m58 s LEU 95 N -3.85 -0.09 0.19 -5.58 2.01 -0.91 -4.59 118.68 105.85 1m58 s LEU 95 Ca 0.00 0.68 -0.30 0.00 0.01 0.00 0.00 54.13 54.52 1m58 s LEU 95 Cb 0.00 0.91 -0.08 0.00 0.01 0.00 0.00 46.19 47.04 1m58 s LEU 95 CO 0.00 -0.21 0.99 -2.16 1.01 0.00 0.00 176.35 175.99 1m58 s PRO 96 N 1.91 4.73 -0.01 1.29 0.04 -1.26 -1.52 135.00 140.19 1m58 s PRO 96 Ca -0.04 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1m58 s PRO 96 Cb -0.11 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1m58 s PRO 96 CO -0.10 0.30 0.00 1.33 0.04 0.00 0.00 177.00 178.57 1m58 n VAL 97 N 2.08 0.04 -4.57 -0.36 0.24 -0.89 -4.57 118.33 110.30 1m58 n VAL 97 Ca 0.00 -0.03 -0.28 0.00 -2.04 0.00 0.00 64.34 62.00 1m58 n VAL 97 Cb 0.47 -0.74 -0.14 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.02 2.19 -0.16 6.34 3.76 -1.25 -4.59 115.29 119.56 1m58 s HIS 98 Ca -0.00 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.36 1m58 s HIS 98 Cb 0.00 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 1m58 s HIS 98 CO 0.03 0.23 0.36 0.12 -0.85 0.00 0.00 174.74 174.63 1m58 s PHE 99 N -0.96 3.45 -0.09 1.40 2.19 -1.26 -0.25 117.98 122.46 1m58 s PHE 99 Ca 0.12 0.67 -0.06 0.00 0.33 0.00 0.00 56.93 57.99 1m58 s PHE 99 Cb -0.10 -2.44 -0.02 0.00 -1.31 0.00 0.00 43.02 39.15 1m58 s PHE 99 CO 0.04 0.16 -0.12 0.28 1.83 0.00 0.00 175.22 177.41 1m58 n VAL 100 N 3.79 0.87 -2.62 3.12 0.31 0.61 -4.87 118.33 119.53 1m58 n VAL 100 Ca -0.10 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1m58 n VAL 100 Cb 0.52 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1m58 n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m58 n ALA 101 N -3.16 0.00 -2.26 3.52 0.00 -0.74 -5.01 120.51 112.87 1m58 n ALA 101 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1m58 n ALA 101 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.31 0.00 0.24 -1.26 -0.91 118.33 116.09 1m58 n VAL 102 Ca 0.00 0.00 0.35 0.00 -2.04 0.00 0.00 64.34 62.65 1m58 n VAL 102 Cb 0.00 0.00 0.68 0.00 -1.47 0.00 0.00 33.84 33.05 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 -4.90 7.34 4.81 -1.95 -3.34 114.58 116.54 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 -0.27 0.00 0.63 0.00 0.00 28.75 29.11 1m58 h GLU 103 CO 0.00 0.00 -0.67 -1.21 -0.73 0.00 0.00 179.01 176.40 1m58 s GLU 104 N -4.73 3.23 -0.07 1.92 2.02 -1.26 -5.02 118.70 114.78 1m58 s GLU 104 Ca -0.04 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.25 1m58 s GLU 104 Cb 0.20 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 1m58 s GLU 104 CO 0.69 -0.32 -0.22 0.00 0.02 0.00 0.00 175.26 175.43