#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 4.18 0.67 2.12 -2.07 -1.26 -5.03 119.66 118.26 1m58 s GLN 2 Ca 0.00 1.97 -0.06 0.00 -1.82 0.00 0.00 55.36 55.46 1m58 s GLN 2 Cb 0.00 -2.84 0.14 0.00 -1.09 0.00 0.00 33.01 29.22 1m58 s GLN 2 CO 0.00 -0.26 0.92 0.09 -1.32 0.00 0.00 175.29 174.72 1m58 n ASN 3 N 0.38 0.67 0.25 12.60 4.13 -1.26 -4.79 115.26 127.23 1m58 n ASN 3 Ca 0.03 -1.70 0.07 0.00 1.68 0.00 0.00 54.58 54.66 1m58 n ASN 3 Cb 0.45 -0.65 0.60 0.00 -1.54 0.00 0.00 39.78 38.64 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 -1.01 0.00 0.26 3.10 -0.00 -1.89 -0.42 115.95 115.99 1m58 h TRP 4 Ca -0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.58 1m58 h TRP 4 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.14 1m58 h TRP 4 CO 0.00 0.07 -0.12 0.93 -0.00 0.00 0.00 178.44 179.32 1m58 h GLU 5 N 0.00 -0.33 -0.91 2.65 3.07 -1.93 -0.08 114.58 117.05 1m58 h GLU 5 Ca -0.00 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1m58 h GLU 5 Cb 0.13 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 1m58 h GLU 5 CO 0.01 -0.22 0.59 1.15 -1.40 0.00 0.00 179.01 179.14 1m58 h THR 6 N -0.43 1.05 -0.45 1.13 2.02 -1.92 -1.49 112.91 112.82 1m58 h THR 6 Ca -0.04 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1m58 h THR 6 Cb 0.26 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1m58 h THR 6 CO 0.06 0.19 0.29 0.15 0.37 0.00 0.00 175.52 176.58 1m58 h PHE 7 N 1.02 0.55 -0.95 3.16 3.04 -1.09 -2.18 116.94 120.49 1m58 h PHE 7 Ca 0.39 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.42 1m58 h PHE 7 Cb 0.22 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.48 1m58 h PHE 7 CO -0.00 0.34 0.61 1.96 -2.02 0.00 0.00 178.31 179.20 1m58 h GLN 8 N 0.60 1.08 0.21 1.11 4.20 0.04 0.38 115.11 122.72 1m58 h GLN 8 Ca 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1m58 h GLN 8 Cb -0.05 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 1m58 h GLN 8 CO -0.05 0.71 -0.22 0.87 -0.67 0.00 0.00 178.83 179.48 1m58 h LYS 9 N 1.11 -0.44 0.00 1.46 1.57 -0.97 0.85 116.57 120.14 1m58 h LYS 9 Ca 0.41 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.11 1m58 h LYS 9 Cb 0.17 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1m58 h LYS 9 CO -0.17 -0.29 -0.74 0.87 -0.57 0.00 0.00 179.45 178.54 1m58 h LYS 10 N -0.46 0.00 0.00 3.15 1.57 -1.27 -3.41 116.57 116.15 1m58 h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1m58 h LYS 10 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1m58 h LYS 10 CO -0.06 0.43 -0.66 0.72 -0.57 0.00 0.00 179.45 179.31 1m58 n HIS 11 N -3.12 0.24 -2.96 -1.35 8.25 0.13 -4.72 115.22 111.70 1m58 n HIS 11 Ca -0.01 0.10 -0.30 0.00 -0.26 0.00 0.00 57.72 57.26 1m58 n HIS 11 Cb 0.75 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 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 -7.34 3.87 0.40 2.41 1.02 0.28 0.08 118.68 119.40 1m58 s LEU 12 Ca -0.19 1.01 0.04 0.00 0.02 0.00 0.00 54.13 55.00 1m58 s LEU 12 Cb 0.03 -3.88 -0.03 0.00 0.02 0.00 0.00 46.19 42.33 1m58 s LEU 12 CO 0.28 -0.37 0.13 -0.89 0.02 0.00 0.00 176.35 175.53 1m58 s THR 13 N -2.34 0.60 -0.20 5.49 2.01 -0.71 -4.37 115.64 116.13 1m58 s THR 13 Ca 0.49 -2.00 0.16 0.00 0.31 0.00 0.00 61.69 60.65 1m58 s THR 13 Cb -0.10 -2.37 0.58 0.00 0.01 0.00 0.00 72.50 70.62 1m58 s THR 13 CO 0.32 0.00 1.48 -0.90 -0.69 0.00 0.00 174.62 174.84 1m58 n ASP 14 N -1.29 4.11 -3.82 3.53 5.75 -1.26 -4.10 116.55 119.46 1m58 n ASP 14 Ca -0.05 -3.06 -0.12 0.00 -0.01 0.00 0.00 54.79 51.55 1m58 n ASP 14 Cb 0.65 -0.58 -0.11 0.00 -1.03 0.00 0.00 41.12 40.05 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 -2.85 0.04 -0.08 2.12 -4.23 -1.26 -5.05 115.64 104.32 1m58 s THR 15 Ca 0.45 -0.30 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 1m58 s THR 15 Cb 0.36 -0.37 -0.22 0.00 1.34 0.00 0.00 72.50 73.60 1m58 s THR 15 CO 0.10 -0.17 0.59 -2.11 -0.54 0.00 0.00 174.62 172.49 1m58 n ARG 16 N 2.25 0.64 -1.45 3.99 1.85 -1.26 -4.14 116.66 118.54 1m58 n ARG 16 Ca -0.17 0.24 -0.33 0.00 -1.00 0.00 0.00 57.85 56.59 1m58 n ARG 16 Cb 0.57 -1.75 0.04 0.00 -1.05 0.00 0.00 32.46 30.28 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 -2.97 7.32 -4.55 2.89 8.00 -1.26 -4.86 116.55 121.12 1m58 n ASP 17 Ca -0.18 -3.62 -0.32 0.00 0.71 0.00 0.00 54.79 51.38 1m58 n ASP 17 Cb 1.04 -1.05 0.16 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.39 0.00 -4.63 2.53 0.31 -1.26 -5.04 118.33 109.85 1m58 n VAL 18 Ca 0.53 -0.10 -0.28 0.00 -0.01 0.00 0.00 64.34 64.48 1m58 n VAL 18 Cb 0.51 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.50 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 -4.21 1.99 -0.02 5.55 1.02 -1.26 -5.07 119.74 117.75 1m58 s LYS 19 Ca 0.63 -2.20 0.03 0.00 0.02 0.00 0.00 55.97 54.44 1m58 s LYS 19 Cb -0.22 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1m58 s LYS 19 CO 0.62 -0.27 0.04 0.00 -0.92 0.00 0.00 175.35 174.82 1m58 h ASP 21 N 0.00 -0.13 0.62 0.00 5.19 -1.90 -2.07 116.42 118.14 1m58 h ASP 21 Ca -0.04 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.20 1m58 h ASP 21 Cb 0.67 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 1m58 h ASP 21 CO 0.00 -0.06 -0.77 0.00 -3.12 0.00 0.00 179.24 175.29 1m58 h ALA 22 N -1.87 0.68 0.57 3.45 0.00 -1.91 -2.49 119.26 117.69 1m58 h ALA 22 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1m58 h ALA 22 Cb 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1m58 h ALA 22 CO 0.02 0.89 -0.27 1.49 0.00 0.00 0.00 179.25 181.38 1m58 h GLU 23 N 0.07 -0.74 -0.71 0.00 4.57 -1.74 -3.18 114.58 112.85 1m58 h GLU 23 Ca -0.02 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1m58 h GLU 23 Cb 1.36 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 30.08 1m58 h GLU 23 CO 0.11 -0.44 0.29 1.98 -1.18 0.00 0.00 179.01 179.77 1m58 h MET 24 N -1.10 1.05 -0.31 1.92 4.05 -1.48 -2.36 114.93 116.70 1m58 h MET 24 Ca -0.08 -0.18 0.09 0.00 -0.28 0.00 0.00 59.70 59.25 1m58 h MET 24 Cb 0.64 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1m58 h MET 24 CO 0.13 0.86 0.42 -0.22 0.23 0.00 0.00 176.91 178.33 1m58 h LYS 25 N 1.03 0.00 -6.68 0.39 1.63 -1.48 0.82 116.57 112.29 1m58 h LYS 25 Ca 0.24 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.46 1m58 h LYS 25 Cb 0.19 0.00 0.17 0.00 -0.60 0.00 0.00 32.23 31.99 1m58 h LYS 25 CO -0.02 0.00 -0.11 1.63 -3.45 0.00 0.00 179.45 177.50 1m58 n LYS 26 N -3.51 0.73 0.26 1.90 5.02 -0.89 -4.22 118.16 117.44 1m58 n LYS 26 Ca 0.05 0.28 0.18 0.00 -2.02 0.00 0.00 58.31 56.80 1m58 n LYS 26 Cb 0.57 -1.95 0.91 0.00 -0.02 0.00 0.00 35.03 34.54 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 0.41 1.56 -0.72 7.82 0.00 -1.90 0.61 119.26 127.03 1m58 h ALA 27 Ca -0.47 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.52 1m58 h ALA 27 Cb 1.38 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1m58 h ALA 27 CO 0.49 -0.22 0.38 1.25 0.00 0.00 0.00 179.25 181.16 1m58 h LEU 28 N 0.00 0.52 0.00 0.00 5.85 -1.87 -3.30 115.31 116.51 1m58 h LEU 28 Ca 0.05 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1m58 h LEU 28 Cb 0.37 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1m58 h LEU 28 CO -0.00 0.31 -1.27 0.49 -0.34 0.00 0.00 178.44 177.62 1m58 n PHE 29 N -4.82 0.00 -2.99 1.25 3.01 -0.87 -5.05 117.46 107.99 1m58 n PHE 29 Ca 0.11 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.45 1m58 n PHE 29 Cb 0.25 -0.19 0.06 0.00 -0.01 0.00 0.00 39.48 39.59 1m58 n PHE 29 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1m58 n ASP 30 N -2.13 -2.46 -3.51 4.37 2.03 0.21 -3.56 116.55 111.50 1m58 n ASP 30 Ca -0.06 -0.41 -0.22 0.00 0.52 0.00 0.00 54.79 54.62 1m58 n ASP 30 Cb 0.61 -3.58 0.05 0.00 -0.72 0.00 0.00 41.12 37.49 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m58 n LYS 32 N -3.84 -2.41 -0.06 0.00 4.76 -1.23 -4.93 118.16 110.45 1m58 n LYS 32 Ca -0.14 -0.52 -0.05 0.00 -2.87 0.00 0.00 58.31 54.73 1m58 n LYS 32 Cb 0.63 -0.58 -0.04 0.00 -1.84 0.00 0.00 35.03 33.19 1m58 n LYS 32 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1m58 h GLN 33 N 0.00 0.00 -2.99 1.97 7.50 -1.93 -3.47 115.11 116.18 1m58 h GLN 33 Ca -0.13 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.96 1m58 h GLN 33 Cb 0.42 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 27.80 1m58 h GLN 33 CO 0.08 0.34 -0.00 -1.59 -1.50 0.00 0.00 178.83 176.15 1m58 s LYS 34 N -1.81 1.04 -0.16 1.46 0.00 -1.26 -0.84 119.74 118.17 1m58 s LYS 34 Ca -0.07 -0.40 -0.28 0.00 0.00 0.00 0.00 55.97 55.22 1m58 s LYS 34 Cb -0.01 0.47 0.08 0.00 0.00 0.00 0.00 37.83 38.37 1m58 s LYS 34 CO 0.24 -0.39 0.74 -0.80 0.00 0.00 0.00 175.35 175.14 1m58 s ASN 35 N -2.25 -0.66 -0.46 0.03 -0.87 -0.95 -4.95 114.94 104.84 1m58 s ASN 35 Ca -0.03 0.99 -0.15 0.00 -1.57 0.00 0.00 52.86 52.09 1m58 s ASN 35 Cb -0.00 0.90 0.06 0.00 -0.02 0.00 0.00 41.25 42.19 1m58 s ASN 35 CO -0.05 -0.42 0.38 -0.89 -2.57 0.00 0.00 177.10 173.54 1m58 s THR 36 N -0.48 5.24 -0.19 1.60 2.01 -1.26 -0.34 115.64 122.21 1m58 s THR 36 Ca -0.05 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.88 1m58 s THR 36 Cb -0.02 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1m58 s THR 36 CO 0.05 -0.53 0.08 -0.36 -0.69 0.00 0.00 174.62 173.17 1m58 s PHE 37 N 1.65 3.31 0.29 4.92 0.40 0.22 -4.71 117.98 124.06 1m58 s PHE 37 Ca 0.04 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.60 1m58 s PHE 37 Cb -0.23 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 1m58 s PHE 37 CO 0.07 0.22 0.35 0.42 0.70 0.00 0.00 175.22 176.97 1m58 s ILE 38 N 0.32 4.36 -0.22 0.64 -1.09 0.11 -0.49 121.20 124.83 1m58 s ILE 38 Ca 0.05 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.29 1m58 s ILE 38 Cb -0.12 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1m58 s ILE 38 CO -0.01 -0.25 -0.08 -0.47 -1.23 0.00 0.00 174.94 172.91 1m58 s TYR 39 N -2.14 2.95 -0.15 3.97 5.04 -0.99 -1.74 117.35 124.29 1m58 s TYR 39 Ca 0.39 -1.25 -0.34 0.00 -2.44 0.00 0.00 57.07 53.42 1m58 s TYR 39 Cb -0.08 -2.06 0.14 0.00 0.35 0.00 0.00 41.96 40.31 1m58 s TYR 39 CO 0.28 -0.65 1.32 0.00 -1.34 0.00 0.00 175.55 175.16 1m58 s ALA 40 N 1.40 -2.23 0.35 3.97 0.00 -1.26 -4.42 121.76 119.57 1m58 s ALA 40 Ca 0.04 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1m58 s ALA 40 Cb -0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1m58 s ALA 40 CO -0.05 -0.79 0.30 1.03 0.00 0.00 0.00 175.76 176.24 1m58 s ARG 41 N -2.25 2.68 0.20 0.00 0.52 -1.26 -4.62 118.95 114.23 1m58 s ARG 41 Ca 0.12 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.07 1m58 s ARG 41 Cb 0.02 -2.45 0.09 0.00 0.52 0.00 0.00 34.95 33.14 1m58 s ARG 41 CO -0.04 0.06 1.45 -1.00 0.02 0.00 0.00 175.30 175.79 1m58 h PRO 42 N 1.23 0.04 0.05 3.54 0.13 -1.97 -1.70 132.00 133.31 1m58 h PRO 42 Ca -0.44 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 1m58 h PRO 42 Cb 1.26 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1m58 h PRO 42 CO 0.58 0.81 -1.08 0.78 -0.23 0.00 0.00 178.00 178.87 1m58 h GLY 43 N 2.23 0.12 1.96 1.56 0.00 -1.98 -0.27 103.07 106.69 1m58 h GLY 43 Ca -0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1m58 h GLY 43 CO 0.11 0.26 -0.78 3.21 0.00 0.00 0.00 176.54 179.34 1m58 h ARG 44 N 0.03 0.00 0.04 4.80 -0.00 -1.96 -3.16 114.38 114.12 1m58 h ARG 44 Ca -0.06 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 59.12 1m58 h ARG 44 Cb 1.83 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.76 1m58 h ARG 44 CO 0.16 0.74 -1.72 0.28 0.00 0.00 0.00 179.97 179.43 1m58 h VAL 45 N 0.00 0.87 -0.65 2.04 2.07 -1.35 -3.36 116.25 115.87 1m58 h VAL 45 Ca -0.02 -2.67 0.01 0.00 0.82 0.00 0.00 66.70 64.85 1m58 h VAL 45 Cb 1.59 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 33.82 1m58 h VAL 45 CO 0.10 0.63 0.42 1.56 0.02 0.00 0.00 177.57 180.30 1m58 h GLN 46 N 0.02 0.83 -0.12 1.57 4.20 -1.12 -0.24 115.11 120.26 1m58 h GLN 46 Ca -0.30 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.40 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 0.09 0.55 0.17 0.00 -0.67 0.00 0.00 178.83 178.97 1m58 h ALA 47 N 1.25 1.63 0.00 3.87 0.00 -1.69 0.92 119.26 125.24 1m58 h ALA 47 Ca 0.24 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 1m58 h ALA 47 Cb -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1m58 h ALA 47 CO -0.06 -0.23 -1.64 1.25 0.00 0.00 0.00 179.25 178.56 1m58 h LEU 48 N 0.00 0.00 -2.99 0.00 5.85 -1.24 -3.37 115.31 113.56 1m58 h LEU 48 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1m58 h LEU 48 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1m58 h LEU 48 CO -0.00 0.99 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 1m58 n LYS 50 N 0.44 2.64 0.00 0.00 3.00 0.30 -3.58 118.16 120.96 1m58 n LYS 50 Ca 0.16 -3.28 0.00 0.00 -0.00 0.00 0.00 58.31 55.19 1m58 n LYS 50 Cb 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.37 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 -0.95 3.60 -4.57 3.14 6.94 -1.26 -5.01 115.26 117.14 1m58 n ASN 51 Ca 0.61 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.88 1m58 n ASN 51 Cb 0.85 0.27 -0.10 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 -1.76 3.30 -0.10 1.53 1.01 -1.26 -5.03 121.20 118.88 1m58 s ILE 52 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1m58 s ILE 52 Cb 0.00 -2.55 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 1m58 s ILE 52 CO 0.00 0.08 -0.09 -0.38 0.00 0.00 0.00 174.94 174.55 1m58 n ILE 53 N 0.62 0.57 -0.89 2.92 -0.00 -1.26 -2.27 119.36 119.05 1m58 n ILE 53 Ca -0.13 -0.21 -0.20 0.00 -0.00 0.00 0.00 62.75 62.21 1m58 n ILE 53 Cb 0.53 -0.94 0.17 0.00 -0.00 0.00 0.00 39.64 39.40 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 -2.86 0.00 -3.09 1.39 0.24 -1.26 0.76 118.33 113.50 1m58 n VAL 54 Ca -0.18 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.38 1m58 n VAL 54 Cb 0.68 -1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 31.82 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 -3.49 6.51 0.26 -1.34 0.15 -1.26 -4.06 113.70 110.47 1m58 s SER 55 Ca 0.47 0.44 -0.12 0.00 0.70 0.00 0.00 55.95 57.45 1m58 s SER 55 Cb -0.05 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1m58 s SER 55 CO 0.36 -0.50 0.47 -0.75 1.20 0.00 0.00 173.24 174.03 1m58 s LYS 56 N 2.66 1.58 -0.16 5.44 2.20 -0.99 -5.00 119.74 125.47 1m58 s LYS 56 Ca 0.26 -1.31 -0.07 0.00 -0.36 0.00 0.00 55.97 54.50 1m58 s LYS 56 Cb -0.15 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1m58 s LYS 56 CO 0.12 -0.66 0.07 -0.80 -0.36 0.00 0.00 175.35 173.72 1m58 s ASN 57 N -3.04 5.74 0.04 1.43 0.01 -1.26 -0.59 114.94 117.27 1m58 s ASN 57 Ca 0.23 0.17 0.08 0.00 -0.71 0.00 0.00 52.86 52.64 1m58 s ASN 57 Cb -0.01 -1.91 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 1m58 s ASN 57 CO 0.10 0.25 -0.24 0.54 -1.51 0.00 0.00 177.10 176.24 1m58 s VAL 58 N -0.08 1.97 -0.10 1.60 0.11 -0.12 -4.92 120.40 118.86 1m58 s VAL 58 Ca 0.07 -1.28 0.04 0.00 -2.93 0.00 0.00 61.98 57.87 1m58 s VAL 58 Cb -0.12 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1m58 s VAL 58 CO 0.01 0.34 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.67 1m58 s LEU 59 N -1.13 2.07 0.70 2.54 0.20 -1.26 -2.03 118.68 119.77 1m58 s LEU 59 Ca 0.10 -0.55 -0.11 0.00 0.69 0.00 0.00 54.13 54.26 1m58 s LEU 59 Cb -0.10 -1.39 0.01 0.00 -0.43 0.00 0.00 46.19 44.29 1m58 s LEU 59 CO 0.02 0.15 1.07 -0.94 -0.29 0.00 0.00 176.35 176.35 1m58 s SER 60 N 0.40 5.26 -0.19 3.68 1.04 -1.06 -4.99 113.70 117.84 1m58 s SER 60 Ca -0.18 1.67 0.14 0.00 0.48 0.00 0.00 55.95 58.06 1m58 s SER 60 Cb -0.18 -2.50 -0.21 0.00 0.10 0.00 0.00 66.02 63.23 1m58 s SER 60 CO 0.08 -1.52 0.02 0.41 0.98 0.00 0.00 173.24 173.20 1m58 n THR 61 N -3.12 1.26 -3.67 2.02 -1.04 -1.26 -4.73 114.28 103.73 1m58 n THR 61 Ca 0.08 -0.73 -0.38 0.00 -2.04 0.00 0.00 64.05 60.99 1m58 n THR 61 Cb 0.53 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 1m58 n THR 61 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1m58 s ASP 62 N -5.39 6.62 0.28 8.00 1.11 -1.26 -5.01 116.67 121.01 1m58 s ASP 62 Ca -0.13 0.74 -0.29 0.00 0.18 0.00 0.00 52.55 53.05 1m58 s ASP 62 Cb 0.06 -2.17 -0.09 0.00 1.07 0.00 0.00 42.92 41.78 1m58 s ASP 62 CO 0.71 0.36 1.13 -1.61 1.18 0.00 0.00 175.17 176.94 1m58 s GLU 63 N -1.06 4.60 0.11 8.23 2.02 -1.26 -4.68 118.70 126.66 1m58 s GLU 63 Ca 0.20 1.85 0.10 0.00 0.02 0.00 0.00 54.97 57.14 1m58 s GLU 63 Cb -0.15 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1m58 s GLU 63 CO 0.09 0.14 -0.26 -0.06 0.02 0.00 0.00 175.26 175.19 1m58 s PHE 64 N -1.05 2.24 0.46 1.61 0.08 -0.80 -4.76 117.98 115.76 1m58 s PHE 64 Ca 0.46 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.87 1m58 s PHE 64 Cb -0.33 -1.24 -0.08 0.00 -0.57 0.00 0.00 43.02 40.80 1m58 s PHE 64 CO 0.42 0.27 1.38 0.66 -0.10 0.00 0.00 175.22 177.85 1m58 n TYR 65 N 1.14 2.51 -3.86 0.36 4.01 -1.26 -1.98 117.16 118.08 1m58 n TYR 65 Ca -0.18 0.45 -0.27 0.00 -0.16 0.00 0.00 57.90 57.74 1m58 n TYR 65 Cb 0.53 -2.43 -0.17 0.00 -0.31 0.00 0.00 39.34 36.97 1m58 n TYR 65 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1m58 s LEU 66 N -2.52 1.38 -0.27 7.72 1.43 0.15 -2.34 118.68 124.22 1m58 s LEU 66 Ca 0.62 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1m58 s LEU 66 Cb -0.46 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.00 1m58 s LEU 66 CO 0.57 -0.19 -0.05 -0.55 0.23 0.00 0.00 176.35 176.36 1m58 s SER 67 N 1.71 4.55 0.08 2.29 0.15 0.36 -2.20 113.70 120.64 1m58 s SER 67 Ca 0.02 -1.12 0.09 0.00 0.70 0.00 0.00 55.95 55.63 1m58 s SER 67 Cb -0.15 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 1m58 s SER 67 CO -0.07 -0.19 -0.23 1.51 1.20 0.00 0.00 173.24 175.45 1m58 s ASP 68 N 1.26 2.82 0.02 5.45 -4.77 -1.05 -0.61 116.67 119.78 1m58 s ASP 68 Ca -0.03 -0.63 -0.02 0.00 -3.30 0.00 0.00 52.55 48.57 1m58 s ASP 68 Cb -0.18 -0.21 -0.04 0.00 -1.09 0.00 0.00 42.92 41.40 1m58 s ASP 68 CO -0.03 0.16 0.19 0.00 0.70 0.00 0.00 175.17 176.18 1m58 s ASN 70 N -2.14 0.83 -0.41 0.00 0.01 -0.90 -2.23 114.94 110.09 1m58 s ASN 70 Ca 0.30 -0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 52.06 1m58 s ASN 70 Cb -0.13 -0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.17 1m58 s ASN 70 CO 0.22 -0.02 1.86 -0.60 -1.51 0.00 0.00 177.10 177.04 1m58 s ARG 71 N 0.65 3.08 -0.04 -0.60 3.00 -0.02 -2.69 118.95 122.33 1m58 s ARG 71 Ca -0.08 1.23 0.05 0.00 -1.00 0.00 0.00 55.73 55.93 1m58 s ARG 71 Cb -0.12 -4.27 -0.08 0.00 0.00 0.00 0.00 34.95 30.49 1m58 s ARG 71 CO -0.00 -2.17 0.06 0.44 0.00 0.00 0.00 175.30 173.64 1m58 n ILE 72 N 7.40 0.23 -3.15 4.11 -5.35 -1.26 -5.01 119.36 116.34 1m58 n ILE 72 Ca 0.23 -0.20 0.06 0.00 -0.27 0.00 0.00 62.75 62.57 1m58 n ILE 72 Cb 0.49 -0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 37.97 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 -2.24 0.09 1.18 6.28 2.36 -1.20 -5.08 119.74 121.13 1m58 s LYS 73 Ca -0.03 0.16 -0.16 0.00 -2.55 0.00 0.00 55.97 53.39 1m58 s LYS 73 Cb 0.02 0.09 0.22 0.00 -1.05 0.00 0.00 37.83 37.11 1m58 s LYS 73 CO 0.23 -0.10 0.52 1.28 1.55 0.00 0.00 175.35 178.82 1m58 n LEU 74 N 5.47 -2.06 -0.04 5.43 4.32 -1.26 -3.40 117.00 125.45 1m58 n LEU 74 Ca -0.08 -0.22 -0.01 0.00 -0.02 0.00 0.00 56.01 55.69 1m58 n LEU 74 Cb 0.55 -1.08 -0.00 0.00 -1.62 0.00 0.00 43.42 41.26 1m58 n LEU 74 CO -0.14 -3.30 -0.06 1.55 -1.22 0.00 0.00 177.39 174.22 1m58 h PRO 75 N -2.51 0.00 -0.39 3.23 0.13 -2.02 -3.40 132.00 127.04 1m58 h PRO 75 Ca -0.57 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.45 1m58 h PRO 75 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 1m58 h PRO 75 CO 0.43 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.24 1m58 s HIS 77 N -3.00 3.17 0.42 0.00 3.76 -1.22 -4.56 115.29 113.86 1m58 s HIS 77 Ca 0.46 -1.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.30 1m58 s HIS 77 Cb 0.38 -3.74 -0.05 0.00 1.11 0.00 0.00 32.58 30.29 1m58 s HIS 77 CO 0.07 -1.05 0.04 0.71 -0.85 0.00 0.00 174.74 173.66 1m58 s TYR 78 N 1.94 2.08 0.24 1.40 2.02 -1.26 -3.26 117.35 120.50 1m58 s TYR 78 Ca 0.06 -0.93 0.08 0.00 -0.37 0.00 0.00 57.07 55.92 1m58 s TYR 78 Cb -0.27 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1m58 s TYR 78 CO 0.05 0.15 0.04 0.21 -1.57 0.00 0.00 175.55 174.43 1m58 s LYS 79 N -3.80 2.47 -0.09 -0.62 2.20 -1.09 -4.88 119.74 113.92 1m58 s LYS 79 Ca 0.26 -1.25 0.02 0.00 -0.36 0.00 0.00 55.97 54.63 1m58 s LYS 79 Cb 0.06 -2.31 0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1m58 s LYS 79 CO 0.13 0.40 -0.15 -1.17 -0.36 0.00 0.00 175.35 174.20 1m58 s LEU 80 N -3.52 1.69 -0.29 5.43 2.96 -1.26 -2.12 118.68 121.57 1m58 s LEU 80 Ca 0.31 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 1m58 s LEU 80 Cb -0.07 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1m58 s LEU 80 CO 0.21 0.03 0.13 -0.54 -1.32 0.00 0.00 176.35 174.85 1m58 s LYS 81 N 0.87 3.46 -0.21 1.98 -0.14 -0.59 -4.95 119.74 120.16 1m58 s LYS 81 Ca -0.10 -0.63 -0.05 0.00 -1.36 0.00 0.00 55.97 53.84 1m58 s LYS 81 Cb -0.15 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.48 1m58 s LYS 81 CO 0.01 -0.34 -0.01 0.21 -0.76 0.00 0.00 175.35 174.45 1m58 s LYS 82 N 1.62 3.54 -0.27 1.68 2.20 -1.26 -2.53 119.74 124.73 1m58 s LYS 82 Ca 0.05 -0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 54.86 1m58 s LYS 82 Cb -0.16 -3.05 0.07 0.00 -1.51 0.00 0.00 37.83 33.17 1m58 s LYS 82 CO 0.06 -0.05 0.73 -1.12 -0.36 0.00 0.00 175.35 174.61 1m58 s SER 83 N 1.13 -0.75 -0.20 1.43 0.01 -0.94 -4.96 113.70 109.42 1m58 s SER 83 Ca 0.02 1.43 -0.15 0.00 1.31 0.00 0.00 55.95 58.57 1m58 s SER 83 Cb -0.14 1.44 -0.04 0.00 0.21 0.00 0.00 66.02 67.49 1m58 s SER 83 CO 0.01 -0.25 0.35 -0.44 0.41 0.00 0.00 173.24 173.33 1m58 s SER 84 N 0.46 6.39 0.20 2.44 0.01 -1.26 -0.68 113.70 121.27 1m58 s SER 84 Ca -0.01 0.45 -0.17 0.00 1.31 0.00 0.00 55.95 57.54 1m58 s SER 84 Cb -0.05 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 64.00 1m58 s SER 84 CO -0.01 -0.04 0.53 0.21 0.41 0.00 0.00 173.24 174.35 1m58 s ASN 85 N 0.99 -0.25 0.50 2.44 2.47 -0.84 -4.79 114.94 115.47 1m58 s ASN 85 Ca 0.17 -0.52 -0.18 0.00 0.42 0.00 0.00 52.86 52.75 1m58 s ASN 85 Cb -0.14 0.59 -0.08 0.00 -1.45 0.00 0.00 41.25 40.16 1m58 s ASN 85 CO 0.07 -1.08 0.99 -0.89 -3.72 0.00 0.00 177.10 172.48 1m58 s THR 86 N -3.89 4.29 0.24 -5.21 2.01 -1.26 -1.90 115.64 109.93 1m58 s THR 86 Ca 0.10 1.22 0.10 0.00 0.31 0.00 0.00 61.69 63.42 1m58 s THR 86 Cb -0.01 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1m58 s THR 86 CO -0.01 -0.51 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.61 1m58 s ILE 87 N -2.40 2.06 -0.21 1.82 1.09 -1.26 -0.27 121.20 122.03 1m58 s ILE 87 Ca 0.61 -2.29 -0.01 0.00 -1.10 0.00 0.00 60.65 57.86 1m58 s ILE 87 Cb -0.11 -2.18 0.06 0.00 -1.06 0.00 0.00 42.46 39.16 1m58 s ILE 87 CO 0.26 -0.49 -0.02 0.00 -0.10 0.00 0.00 174.94 174.58 1m58 s ILE 89 N 1.58 1.63 -0.35 0.00 -4.36 -0.86 -1.04 121.20 117.80 1m58 s ILE 89 Ca -0.03 -1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 58.42 1m58 s ILE 89 Cb -0.18 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.08 1m58 s ILE 89 CO -0.07 0.00 0.14 -0.89 0.24 0.00 0.00 174.94 174.36 1m58 s THR 90 N -2.77 4.05 0.37 8.37 2.01 -0.23 -0.94 115.64 126.49 1m58 s THR 90 Ca 0.23 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.94 1m58 s THR 90 Cb 0.03 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 1m58 s THR 90 CO 0.13 -0.20 0.98 0.00 -0.69 0.00 0.00 174.62 174.83 1m58 s GLU 92 N -2.40 0.57 -1.10 0.00 2.12 0.26 -2.35 118.70 115.81 1m58 s GLU 92 Ca 0.55 1.34 -0.01 0.00 0.36 0.00 0.00 54.97 57.20 1m58 s GLU 92 Cb -0.18 0.80 -0.02 0.00 0.26 0.00 0.00 34.13 34.99 1m58 s GLU 92 CO 0.23 -0.29 0.93 0.09 -0.54 0.00 0.00 175.26 175.67 1m58 n ASN 93 N 5.44 -3.16 -0.24 -1.70 4.13 0.23 -2.27 115.26 117.68 1m58 n ASN 93 Ca -0.09 -0.61 -0.03 0.00 1.68 0.00 0.00 54.58 55.53 1m58 n ASN 93 Cb 0.50 -4.90 -0.01 0.00 -1.54 0.00 0.00 39.78 33.82 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 -3.75 -1.66 -3.73 3.52 5.02 -0.96 -4.94 118.16 111.66 1m58 n LYS 94 Ca -0.22 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.50 1m58 n LYS 94 Cb 0.65 -4.86 -0.10 0.00 -0.02 0.00 0.00 35.03 30.70 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 -0.72 0.34 0.29 -0.35 0.05 -0.96 -4.25 118.68 113.08 1m58 s LEU 95 Ca 0.00 0.83 -0.21 0.00 0.05 0.00 0.00 54.13 54.79 1m58 s LEU 95 Cb 0.00 1.37 -0.09 0.00 -2.05 0.00 0.00 46.19 45.42 1m58 s LEU 95 CO 0.00 -0.15 0.83 -2.16 -0.55 0.00 0.00 176.35 174.31 1m58 s PRO 96 N 0.48 4.32 0.00 1.48 0.04 -1.26 -0.57 135.00 139.48 1m58 s PRO 96 Ca -0.02 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1m58 s PRO 96 Cb -0.04 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1m58 s PRO 96 CO -0.02 0.27 0.23 1.33 0.04 0.00 0.00 177.00 178.85 1m58 n VAL 97 N 0.35 0.00 -3.81 -0.36 0.24 -1.03 -3.93 118.33 109.78 1m58 n VAL 97 Ca 0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 1m58 n VAL 97 Cb 0.51 1.38 -0.15 0.00 -1.47 0.00 0.00 33.84 34.12 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 -0.02 -0.38 6.34 3.76 -1.25 -4.85 115.29 118.89 1m58 s HIS 98 Ca 0.00 0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.81 1m58 s HIS 98 Cb 0.00 -0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.60 1m58 s HIS 98 CO 0.00 -0.06 0.80 0.12 -0.85 0.00 0.00 174.74 174.75 1m58 s PHE 99 N 0.56 3.09 0.00 1.40 2.19 -1.26 -1.07 117.98 122.89 1m58 s PHE 99 Ca -0.05 0.52 0.00 0.00 0.33 0.00 0.00 56.93 57.74 1m58 s PHE 99 Cb -0.06 -3.47 0.00 0.00 -1.31 0.00 0.00 43.02 38.18 1m58 s PHE 99 CO -0.02 -0.78 0.00 0.28 1.83 0.00 0.00 175.22 176.53 1m58 n VAL 100 N 5.86 0.00 -2.54 3.12 0.31 -0.21 -4.95 118.33 119.92 1m58 n VAL 100 Ca 0.03 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 1m58 n VAL 100 Cb 0.48 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 -1.90 0.00 -1.46 3.52 0.00 -0.66 -4.99 120.51 115.02 1m58 n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m58 n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.45 0.00 0.24 -1.26 -1.00 118.33 115.85 1m58 n VAL 102 Ca 0.00 0.00 0.39 0.00 -2.04 0.00 0.00 64.34 62.69 1m58 n VAL 102 Cb 0.00 -0.51 0.71 0.00 -1.47 0.00 0.00 33.84 32.57 1m58 n VAL 102 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1m58 h GLU 103 N 0.00 0.07 -5.19 7.34 4.11 -0.92 -3.17 114.58 116.83 1m58 h GLU 103 Ca 0.00 -0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 1m58 h GLU 103 Cb 0.00 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 29.01 1m58 h GLU 103 CO 0.00 0.05 -0.66 -1.83 0.07 0.00 0.00 179.01 176.64 1m58 s GLU 104 N -5.09 3.66 0.16 1.06 -1.05 -1.26 -4.87 118.70 111.31 1m58 s GLU 104 Ca -0.06 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.26 1m58 s GLU 104 Cb 0.26 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.88 1m58 s GLU 104 CO 0.83 0.11 0.31 0.00 0.95 0.00 0.00 175.26 177.46