#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 n GLN 2 N 0.00 1.17 -0.90 2.12 1.13 -1.26 -4.63 117.38 115.02 1m58 n GLN 2 Ca 0.00 -2.92 -0.05 0.00 -1.94 0.00 0.00 57.00 52.09 1m58 n GLN 2 Cb 0.00 -1.22 0.03 0.00 0.11 0.00 0.00 30.24 29.16 1m58 n GLN 2 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1m58 n ASN 3 N -0.74 0.23 0.18 1.08 4.13 -1.26 -4.81 115.26 114.07 1m58 n ASN 3 Ca 0.15 -1.21 0.16 0.00 1.68 0.00 0.00 54.58 55.37 1m58 n ASN 3 Cb 0.79 -0.15 0.79 0.00 -1.54 0.00 0.00 39.78 39.67 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 -0.57 0.00 0.27 3.10 -0.00 -1.90 -2.14 115.95 114.71 1m58 h TRP 4 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.80 1m58 h TRP 4 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.41 1m58 h TRP 4 CO 0.00 0.00 -0.13 0.93 -0.00 0.00 0.00 178.44 179.24 1m58 h GLU 5 N 0.00 -0.35 -0.89 2.65 5.08 -1.92 0.19 114.58 119.34 1m58 h GLU 5 Ca 0.10 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1m58 h GLU 5 Cb 0.50 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1m58 h GLU 5 CO -0.00 -0.23 0.57 1.15 -1.00 0.00 0.00 179.01 179.50 1m58 h THR 6 N -0.39 1.11 -0.24 1.13 2.02 -1.79 -2.11 112.91 112.64 1m58 h THR 6 Ca -0.04 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1m58 h THR 6 Cb 0.28 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1m58 h THR 6 CO 0.06 0.20 0.12 0.15 0.37 0.00 0.00 175.52 176.42 1m58 h PHE 7 N 1.08 0.34 0.00 3.16 3.04 -1.41 -2.15 116.94 121.01 1m58 h PHE 7 Ca 0.37 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1m58 h PHE 7 Cb 0.07 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1m58 h PHE 7 CO -0.02 0.32 -0.05 0.37 -2.02 0.00 0.00 178.31 176.90 1m58 h GLN 8 N 0.27 0.00 0.09 1.11 4.15 -0.19 0.11 115.11 120.65 1m58 h GLN 8 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1m58 h GLN 8 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1m58 h GLN 8 CO -0.01 0.05 -0.04 0.87 -1.93 0.00 0.00 178.83 177.77 1m58 h LYS 9 N 0.00 -0.12 0.00 1.69 1.57 -0.73 -0.80 116.57 118.17 1m58 h LYS 9 Ca -0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1m58 h LYS 9 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1m58 h LYS 9 CO 0.01 0.37 -0.64 0.87 -0.57 0.00 0.00 179.45 179.49 1m58 h LYS 10 N -0.69 0.00 0.06 3.15 1.57 -1.31 -3.38 116.57 115.97 1m58 h LYS 10 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1m58 h LYS 10 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1m58 h LYS 10 CO 0.02 0.40 -1.98 0.72 -0.57 0.00 0.00 179.45 178.05 1m58 n HIS 11 N -3.13 0.83 -2.90 -1.35 8.25 0.35 -4.50 115.22 112.77 1m58 n HIS 11 Ca 0.00 0.23 -0.20 0.00 -0.26 0.00 0.00 57.72 57.49 1m58 n HIS 11 Cb 0.73 -1.10 0.06 0.00 1.12 0.00 0.00 29.99 30.80 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 -7.19 3.18 0.26 2.41 1.02 -0.31 0.01 118.68 118.05 1m58 s LEU 12 Ca -0.28 -0.61 -0.14 0.00 0.02 0.00 0.00 54.13 53.12 1m58 s LEU 12 Cb 0.08 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.33 1m58 s LEU 12 CO 0.66 -1.36 0.52 -0.89 0.02 0.00 0.00 176.35 175.31 1m58 s THR 13 N -2.73 0.00 -0.13 5.49 2.01 0.67 -4.57 115.64 116.38 1m58 s THR 13 Ca 0.61 -1.35 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1m58 s THR 13 Cb -0.07 -2.21 -0.13 0.00 0.01 0.00 0.00 72.50 70.10 1m58 s THR 13 CO 0.39 0.00 -0.01 -0.90 -0.69 0.00 0.00 174.62 173.41 1m58 n ASP 14 N -0.46 2.25 -4.67 3.53 5.75 -1.26 -4.05 116.55 117.65 1m58 n ASP 14 Ca -0.02 -0.03 -0.38 0.00 -0.01 0.00 0.00 54.79 54.36 1m58 n ASP 14 Cb 0.61 0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 41.10 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 -2.30 5.24 0.27 2.12 -4.23 -1.26 -4.96 115.64 110.52 1m58 s THR 15 Ca -0.11 0.58 0.17 0.00 -1.18 0.00 0.00 61.69 61.15 1m58 s THR 15 Cb 0.04 -3.67 0.12 0.00 1.34 0.00 0.00 72.50 70.33 1m58 s THR 15 CO 0.45 0.27 1.79 0.08 -0.54 0.00 0.00 174.62 176.67 1m58 h ARG 16 N 7.42 0.00 -1.50 3.99 0.11 -1.97 -3.09 114.38 119.35 1m58 h ARG 16 Ca -0.36 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 58.99 1m58 h ARG 16 Cb 1.16 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 31.96 1m58 h ARG 16 CO 0.70 0.38 0.93 -0.25 0.10 0.00 0.00 179.97 181.83 1m58 n ASP 17 N -3.75 7.56 -4.69 0.08 9.92 -1.26 -4.98 116.55 119.43 1m58 n ASP 17 Ca -0.01 -3.81 -0.30 0.00 -0.53 0.00 0.00 54.79 50.14 1m58 n ASP 17 Cb 0.46 -1.01 0.15 0.00 -0.64 0.00 0.00 41.12 40.08 1m58 n ASP 17 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1m58 s VAL 18 N -4.96 2.59 0.03 2.53 0.11 -1.17 -5.06 120.40 114.48 1m58 s VAL 18 Ca 0.58 0.19 0.07 0.00 -2.93 0.00 0.00 61.98 59.89 1m58 s VAL 18 Cb 0.47 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.75 1m58 s VAL 18 CO -0.21 -0.25 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.56 1m58 s LYS 19 N -4.83 1.46 0.00 1.54 3.01 -1.26 -5.08 119.74 114.58 1m58 s LYS 19 Ca 0.64 -0.90 0.00 0.00 -1.01 0.00 0.00 55.97 54.71 1m58 s LYS 19 Cb -0.19 -1.53 0.00 0.00 -1.01 0.00 0.00 37.83 35.09 1m58 s LYS 19 CO 0.58 0.40 0.82 0.00 0.51 0.00 0.00 175.35 177.66 1m58 h ASP 21 N 0.00 0.37 -0.03 0.00 1.82 -1.85 0.78 116.42 117.51 1m58 h ASP 21 Ca 0.00 0.13 -0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1m58 h ASP 21 Cb 0.00 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1m58 h ASP 21 CO 0.00 -0.08 -0.21 0.00 -1.61 0.00 0.00 179.24 177.34 1m58 h ALA 22 N 1.66 1.22 0.00 -0.78 0.00 -1.95 -2.79 119.26 116.62 1m58 h ALA 22 Ca 0.72 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 55.00 1m58 h ALA 22 Cb 2.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 1m58 h ALA 22 CO -0.41 0.51 -2.05 0.39 0.00 0.00 0.00 179.25 177.68 1m58 n GLU 23 N -4.16 0.55 0.18 0.00 -0.58 0.11 -4.48 120.64 112.26 1m58 n GLU 23 Ca -0.00 0.23 0.18 0.00 -0.42 0.00 0.00 57.16 57.16 1m58 n GLU 23 Cb 0.36 -1.43 0.80 0.00 -0.57 0.00 0.00 31.44 30.61 1m58 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1m58 h MET 24 N -0.96 0.00 -0.33 3.49 -0.00 0.21 -1.62 114.93 115.73 1m58 h MET 24 Ca -0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.05 1m58 h MET 24 Cb 1.41 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.01 1m58 h MET 24 CO -0.29 0.00 -0.45 1.57 -0.00 0.00 0.00 176.91 177.74 1m58 h LYS 25 N 0.00 0.86 -6.84 -0.10 2.10 -1.65 0.91 116.57 111.85 1m58 h LYS 25 Ca 0.12 -0.49 -0.53 0.00 -2.00 0.00 0.00 60.65 57.75 1m58 h LYS 25 Cb 0.76 0.03 0.21 0.00 -0.90 0.00 0.00 32.23 32.33 1m58 h LYS 25 CO -0.00 1.13 -0.48 1.63 -2.00 0.00 0.00 179.45 179.72 1m58 n LYS 26 N -4.03 -0.30 0.22 0.07 5.02 -0.61 -4.10 118.16 114.43 1m58 n LYS 26 Ca -0.03 -0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1m58 n LYS 26 Cb 0.57 -1.91 0.76 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.58 1.91 -0.76 7.82 0.00 -1.88 0.60 119.26 125.37 1m58 h ALA 27 Ca -0.43 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.69 1m58 h ALA 27 Cb 1.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1m58 h ALA 27 CO 0.35 -0.16 0.58 1.25 0.00 0.00 0.00 179.25 181.27 1m58 h LEU 28 N 0.00 0.00 0.00 0.00 5.85 -1.88 -3.21 115.31 116.08 1m58 h LEU 28 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1m58 h LEU 28 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1m58 h LEU 28 CO -0.00 0.00 -0.81 0.49 -0.34 0.00 0.00 178.44 177.78 1m58 n PHE 29 N -4.17 0.00 -3.03 1.25 3.72 -0.57 -5.06 117.46 109.60 1m58 n PHE 29 Ca 0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.43 1m58 n PHE 29 Cb 0.86 0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.47 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 -2.34 -3.79 -3.43 4.37 2.03 0.20 -3.56 116.55 110.02 1m58 n ASP 30 Ca 0.00 -0.53 -0.20 0.00 0.52 0.00 0.00 54.79 54.58 1m58 n ASP 30 Cb 0.40 -4.24 0.06 0.00 -0.72 0.00 0.00 41.12 36.63 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 -5.08 4.62 0.16 0.00 -0.14 -1.23 -4.93 119.74 113.14 1m58 s LYS 32 Ca 0.37 1.57 -0.16 0.00 -1.36 0.00 0.00 55.97 56.39 1m58 s LYS 32 Cb -0.08 -3.35 0.09 0.00 -1.68 0.00 0.00 37.83 32.81 1m58 s LYS 32 CO 0.78 0.09 1.70 -0.56 -0.76 0.00 0.00 175.35 176.60 1m58 h GLN 33 N 5.71 0.11 -5.74 1.68 3.07 -1.92 -3.44 115.11 114.60 1m58 h GLN 33 Ca -0.43 -0.01 -0.48 0.00 0.09 0.00 0.00 58.65 57.82 1m58 h GLN 33 Cb 1.21 -0.02 -0.17 0.00 0.08 0.00 0.00 27.48 28.58 1m58 h GLN 33 CO 0.73 0.07 -0.76 0.15 0.09 0.00 0.00 178.83 179.11 1m58 s LYS 34 N -6.18 1.24 0.01 0.06 1.02 -1.26 -0.73 119.74 113.90 1m58 s LYS 34 Ca -0.13 -1.42 -0.28 0.00 0.02 0.00 0.00 55.97 54.15 1m58 s LYS 34 Cb 0.13 -1.19 0.08 0.00 -0.52 0.00 0.00 37.83 36.33 1m58 s LYS 34 CO 0.71 0.23 0.69 1.21 -0.92 0.00 0.00 175.35 177.26 1m58 s ASN 35 N -2.80 -0.60 -0.33 2.83 3.84 -1.08 -4.99 114.94 111.82 1m58 s ASN 35 Ca 0.16 0.43 0.03 0.00 0.21 0.00 0.00 52.86 53.69 1m58 s ASN 35 Cb -0.04 0.53 0.10 0.00 -0.55 0.00 0.00 41.25 41.29 1m58 s ASN 35 CO 0.06 -0.71 0.05 -0.89 -2.79 0.00 0.00 177.10 172.83 1m58 s THR 36 N -2.09 1.87 -0.45 -5.21 2.01 -1.26 -0.18 115.64 110.33 1m58 s THR 36 Ca -0.06 -2.03 -0.15 0.00 0.31 0.00 0.00 61.69 59.76 1m58 s THR 36 Cb -0.00 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.19 1m58 s THR 36 CO 0.01 -0.59 0.36 -0.36 -0.69 0.00 0.00 174.62 173.36 1m58 s PHE 37 N 1.12 3.24 0.33 4.92 0.08 -0.01 -4.20 117.98 123.46 1m58 s PHE 37 Ca 0.09 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.42 1m58 s PHE 37 Cb -0.19 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 1m58 s PHE 37 CO -0.13 -0.72 0.49 0.42 -0.10 0.00 0.00 175.22 175.19 1m58 s ILE 38 N 1.70 4.54 -0.26 0.64 1.01 0.10 -0.36 121.20 128.57 1m58 s ILE 38 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1m58 s ILE 38 Cb -0.22 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.68 1m58 s ILE 38 CO 0.08 -0.29 -0.08 -0.31 0.00 0.00 0.00 174.94 174.34 1m58 s TYR 39 N -2.21 3.16 0.04 3.97 2.02 -0.91 -0.24 117.35 123.19 1m58 s TYR 39 Ca 0.42 -1.93 -0.28 0.00 -0.37 0.00 0.00 57.07 54.91 1m58 s TYR 39 Cb -0.09 -2.01 0.09 0.00 -0.40 0.00 0.00 41.96 39.55 1m58 s TYR 39 CO 0.32 -0.81 1.03 0.00 -1.57 0.00 0.00 175.55 174.52 1m58 s ALA 40 N 1.22 -1.86 0.23 3.71 0.00 -1.26 -4.35 121.76 119.46 1m58 s ALA 40 Ca -0.04 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1m58 s ALA 40 Cb -0.18 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1m58 s ALA 40 CO -0.05 -0.89 0.37 1.03 0.00 0.00 0.00 175.76 176.22 1m58 s ARG 41 N -2.98 3.45 0.28 0.00 0.52 -1.26 -4.74 118.95 114.22 1m58 s ARG 41 Ca 0.10 -0.67 0.13 0.00 -0.52 0.00 0.00 55.73 54.77 1m58 s ARG 41 Cb -0.00 -2.88 0.34 0.00 0.52 0.00 0.00 34.95 32.93 1m58 s ARG 41 CO -0.03 0.42 1.58 -1.00 0.02 0.00 0.00 175.30 176.28 1m58 h PRO 42 N 1.33 0.00 0.09 3.54 0.13 -1.98 -1.62 132.00 133.49 1m58 h PRO 42 Ca -0.51 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.37 1m58 h PRO 42 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1m58 h PRO 42 CO 0.63 0.58 -1.15 0.78 -0.23 0.00 0.00 178.00 178.61 1m58 h GLY 43 N 2.33 0.29 1.78 1.56 0.00 -1.98 -0.83 103.07 106.22 1m58 h GLY 43 Ca -0.01 -0.69 -0.19 0.00 0.00 0.00 0.00 47.33 46.44 1m58 h GLY 43 CO 0.08 0.60 -0.86 -0.09 0.00 0.00 0.00 176.54 176.27 1m58 h ARG 44 N 0.09 0.20 0.09 4.80 2.43 -1.95 -2.89 114.38 117.15 1m58 h ARG 44 Ca -0.11 -0.22 -0.26 0.00 -0.81 0.00 0.00 59.98 58.59 1m58 h ARG 44 Cb 1.86 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 1m58 h ARG 44 CO 0.19 0.94 -1.18 0.28 -1.51 0.00 0.00 179.97 178.69 1m58 h VAL 45 N 0.12 1.55 -0.77 0.20 2.07 -1.34 -3.27 116.25 114.82 1m58 h VAL 45 Ca -0.04 -3.17 -0.02 0.00 0.82 0.00 0.00 66.70 64.29 1m58 h VAL 45 Cb 1.48 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 34.12 1m58 h VAL 45 CO 0.13 0.92 0.39 1.56 0.02 0.00 0.00 177.57 180.59 1m58 h GLN 46 N 0.05 1.09 0.00 1.57 1.08 -1.14 -1.26 115.11 116.50 1m58 h GLN 46 Ca -0.10 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1m58 h GLN 46 Cb 1.91 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 29.14 1m58 h GLN 46 CO 0.18 0.83 -0.03 0.00 -0.95 0.00 0.00 178.83 178.86 1m58 h ALA 47 N 1.20 1.47 0.00 3.87 0.00 -1.56 0.31 119.26 124.56 1m58 h ALA 47 Ca 0.27 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1m58 h ALA 47 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1m58 h ALA 47 CO -0.04 0.04 -0.98 1.25 0.00 0.00 0.00 179.25 179.52 1m58 h LEU 48 N 0.00 0.00 -3.09 0.00 5.85 -1.31 -3.32 115.31 113.43 1m58 h LEU 48 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1m58 h LEU 48 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1m58 h LEU 48 CO 0.00 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 1m58 n LYS 50 N -0.21 2.45 0.00 0.00 3.00 0.98 -3.51 118.16 120.87 1m58 n LYS 50 Ca 0.16 -2.83 0.00 0.00 -0.00 0.00 0.00 58.31 55.64 1m58 n LYS 50 Cb 0.67 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 -0.58 3.58 -4.19 3.14 6.94 -1.26 -5.04 115.26 117.85 1m58 n ASN 51 Ca 0.54 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.87 1m58 n ASN 51 Cb 0.64 0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 38.56 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 1.37 -0.23 1.53 1.01 -1.26 -5.04 121.20 117.08 1m58 s ILE 52 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1m58 s ILE 52 Cb 0.00 -1.20 -0.15 0.00 0.01 0.00 0.00 42.46 41.12 1m58 s ILE 52 CO 0.00 0.16 -0.20 -0.38 0.00 0.00 0.00 174.94 174.51 1m58 n ILE 53 N 2.04 1.33 -2.11 2.92 -0.00 -1.26 -2.28 119.36 120.00 1m58 n ILE 53 Ca -0.17 -0.51 -0.29 0.00 -0.00 0.00 0.00 62.75 61.78 1m58 n ILE 53 Cb 0.54 -1.32 0.04 0.00 -0.00 0.00 0.00 39.64 38.90 1m58 n ILE 53 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1m58 s VAL 54 N -2.47 3.71 0.31 1.39 0.11 -1.26 0.61 120.40 122.80 1m58 s VAL 54 Ca -0.31 0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 1m58 s VAL 54 Cb 0.08 -3.52 -0.13 0.00 -1.53 0.00 0.00 36.38 31.29 1m58 s VAL 54 CO 0.54 -0.62 1.24 -1.20 -3.33 0.00 0.00 175.10 171.73 1m58 n SER 55 N -2.80 2.42 -3.05 3.54 7.64 -1.26 -4.34 113.62 115.78 1m58 n SER 55 Ca 0.06 1.19 -0.08 0.00 1.01 0.00 0.00 58.87 61.05 1m58 n SER 55 Cb 0.57 -1.43 0.02 0.00 -1.01 0.00 0.00 64.21 62.36 1m58 n SER 55 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1m58 s LYS 56 N -1.58 2.13 -0.22 1.43 -0.14 -0.22 -4.95 119.74 116.19 1m58 s LYS 56 Ca 0.58 -1.35 0.02 0.00 -1.36 0.00 0.00 55.97 53.86 1m58 s LYS 56 Cb -0.61 0.61 0.04 0.00 -1.68 0.00 0.00 37.83 36.18 1m58 s LYS 56 CO 0.60 -0.99 -0.14 -0.80 -0.76 0.00 0.00 175.35 173.25 1m58 s ASN 57 N -3.08 3.71 0.20 2.83 0.01 -1.26 -0.34 114.94 117.01 1m58 s ASN 57 Ca 0.15 -1.00 0.07 0.00 -0.71 0.00 0.00 52.86 51.37 1m58 s ASN 57 Cb -0.05 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.13 1m58 s ASN 57 CO 0.11 -0.11 0.07 -0.69 -1.51 0.00 0.00 177.10 174.97 1m58 s VAL 58 N 1.24 4.01 -0.08 1.60 1.01 -0.50 -4.93 120.40 122.75 1m58 s VAL 58 Ca -0.02 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1m58 s VAL 58 Cb -0.17 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1m58 s VAL 58 CO -0.09 -0.21 -0.02 -0.76 0.00 0.00 0.00 175.10 174.02 1m58 s LEU 59 N -3.30 0.79 0.02 3.92 1.43 -1.26 -2.13 118.68 118.15 1m58 s LEU 59 Ca 0.30 -0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 52.94 1m58 s LEU 59 Cb -0.09 -0.57 -0.10 0.00 0.03 0.00 0.00 46.19 45.47 1m58 s LEU 59 CO 0.21 -0.17 1.96 -1.54 0.23 0.00 0.00 176.35 177.05 1m58 n SER 60 N 5.06 4.06 0.10 2.29 3.41 -0.85 -4.86 113.62 122.84 1m58 n SER 60 Ca -0.09 0.91 -0.03 0.00 -0.26 0.00 0.00 58.87 59.41 1m58 n SER 60 Cb 0.50 -1.50 0.20 0.00 -0.26 0.00 0.00 64.21 63.14 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 5.58 1.34 -2.97 6.66 2.02 -1.99 -3.40 112.91 120.15 1m58 h THR 61 Ca -0.50 -1.70 -0.61 0.00 0.77 0.00 0.00 66.41 64.37 1m58 h THR 61 Cb 1.24 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.43 1m58 h THR 61 CO 0.94 0.50 -0.41 -1.81 0.37 0.00 0.00 175.52 175.12 1m58 s ASP 62 N -6.88 6.44 0.16 4.18 1.01 -1.26 -5.01 116.67 115.30 1m58 s ASP 62 Ca -0.04 0.47 -0.30 0.00 0.71 0.00 0.00 52.55 53.39 1m58 s ASP 62 Cb 0.13 -2.05 -0.07 0.00 1.01 0.00 0.00 42.92 41.94 1m58 s ASP 62 CO 0.78 0.18 1.08 -1.61 0.21 0.00 0.00 175.17 175.80 1m58 s GLU 63 N -2.23 4.61 0.16 8.23 2.02 -1.26 -4.57 118.70 125.66 1m58 s GLU 63 Ca 0.33 1.67 0.10 0.00 0.02 0.00 0.00 54.97 57.08 1m58 s GLU 63 Cb -0.13 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1m58 s GLU 63 CO 0.22 0.08 -0.17 -0.06 0.02 0.00 0.00 175.26 175.36 1m58 s PHE 64 N -0.12 2.51 0.12 1.61 0.40 -0.66 -4.76 117.98 117.08 1m58 s PHE 64 Ca 0.49 -0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 56.24 1m58 s PHE 64 Cb -0.28 -1.27 -0.07 0.00 0.51 0.00 0.00 43.02 41.91 1m58 s PHE 64 CO 0.33 0.46 1.27 0.71 0.70 0.00 0.00 175.22 178.70 1m58 s TYR 65 N -1.48 3.35 -0.24 0.36 1.51 -1.26 -1.89 117.35 117.71 1m58 s TYR 65 Ca 0.21 1.20 0.01 0.00 -1.01 0.00 0.00 57.07 57.49 1m58 s TYR 65 Cb -0.09 -3.53 0.06 0.00 -0.11 0.00 0.00 41.96 38.29 1m58 s TYR 65 CO 0.12 -1.70 -0.08 -0.51 -1.11 0.00 0.00 175.55 172.28 1m58 s LEU 66 N 0.65 2.75 -0.54 -1.29 1.43 -0.00 -2.13 118.68 119.54 1m58 s LEU 66 Ca 0.59 -1.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1m58 s LEU 66 Cb -0.33 -1.28 0.14 0.00 0.03 0.00 0.00 46.19 44.74 1m58 s LEU 66 CO 0.32 -0.21 0.42 -0.55 0.23 0.00 0.00 176.35 176.56 1m58 s SER 67 N 1.32 5.80 -0.01 2.29 0.15 0.51 -1.65 113.70 122.10 1m58 s SER 67 Ca -0.06 -2.14 -0.02 0.00 0.70 0.00 0.00 55.95 54.43 1m58 s SER 67 Cb -0.19 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1m58 s SER 67 CO -0.06 -0.64 0.13 1.51 1.20 0.00 0.00 173.24 175.37 1m58 s ASP 68 N 2.37 6.00 0.14 5.45 -4.77 -1.07 -0.83 116.67 123.96 1m58 s ASP 68 Ca 0.09 0.25 0.01 0.00 -3.30 0.00 0.00 52.55 49.60 1m58 s ASP 68 Cb -0.24 -1.81 -0.04 0.00 -1.09 0.00 0.00 42.92 39.75 1m58 s ASP 68 CO -0.02 0.28 0.29 0.00 0.70 0.00 0.00 175.17 176.42 1m58 s ASN 70 N -3.02 -0.04 -0.41 0.00 2.20 0.77 -2.63 114.94 111.81 1m58 s ASN 70 Ca 0.36 -0.01 -0.27 0.00 -0.94 0.00 0.00 52.86 52.00 1m58 s ASN 70 Cb -0.12 0.25 0.02 0.00 -2.00 0.00 0.00 41.25 39.40 1m58 s ASN 70 CO 0.28 -0.24 0.99 -0.60 -2.94 0.00 0.00 177.10 174.59 1m58 s ARG 71 N -0.80 3.77 -0.04 3.55 3.00 0.09 -2.83 118.95 125.69 1m58 s ARG 71 Ca -0.09 0.53 0.01 0.00 -1.00 0.00 0.00 55.73 55.18 1m58 s ARG 71 Cb -0.05 -3.85 -0.03 0.00 0.00 0.00 0.00 34.95 31.03 1m58 s ARG 71 CO 0.01 -1.10 -0.03 -0.89 0.00 0.00 0.00 175.30 173.29 1m58 n ILE 72 N 6.25 0.21 -3.43 4.11 5.41 -1.26 -4.97 119.36 125.68 1m58 n ILE 72 Ca 0.08 -0.08 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 1m58 n ILE 72 Cb 0.48 -0.66 -0.11 0.00 -0.71 0.00 0.00 39.64 38.65 1m58 n ILE 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1m58 s LYS 73 N -2.07 0.34 1.09 0.38 1.02 -1.25 -5.14 119.74 114.11 1m58 s LYS 73 Ca -0.05 -0.40 -0.19 0.00 0.02 0.00 0.00 55.97 55.36 1m58 s LYS 73 Cb 0.01 -0.82 0.09 0.00 -0.52 0.00 0.00 37.83 36.59 1m58 s LYS 73 CO 0.09 -1.06 -0.11 1.28 -0.92 0.00 0.00 175.35 174.63 1m58 n LEU 74 N 5.08 -2.20 -0.04 3.17 4.32 -1.26 -3.77 117.00 122.31 1m58 n LEU 74 Ca -0.00 -0.18 -0.01 0.00 -0.02 0.00 0.00 56.01 55.79 1m58 n LEU 74 Cb 0.45 -0.86 -0.00 0.00 -1.62 0.00 0.00 43.42 41.39 1m58 n LEU 74 CO 0.03 -3.05 -0.07 1.55 -1.22 0.00 0.00 177.39 174.62 1m58 h PRO 75 N -2.11 0.00 -0.50 3.23 0.13 -2.01 -3.41 132.00 127.34 1m58 h PRO 75 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1m58 h PRO 75 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 1m58 h PRO 75 CO 0.31 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.19 1m58 s HIS 77 N -2.99 3.20 0.27 0.00 5.04 -1.25 -4.66 115.29 114.90 1m58 s HIS 77 Ca 0.49 -0.34 0.02 0.00 -1.54 0.00 0.00 55.06 53.69 1m58 s HIS 77 Cb 0.40 -2.76 -0.05 0.00 0.04 0.00 0.00 32.58 30.21 1m58 s HIS 77 CO 0.09 -0.60 0.06 0.71 -2.34 0.00 0.00 174.74 172.66 1m58 s TYR 78 N 1.99 1.66 0.16 3.88 2.02 -1.26 -3.85 117.35 121.94 1m58 s TYR 78 Ca 0.10 -1.06 0.02 0.00 -0.37 0.00 0.00 57.07 55.77 1m58 s TYR 78 Cb -0.17 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 1m58 s TYR 78 CO 0.12 -0.17 -0.02 0.21 -1.57 0.00 0.00 175.55 174.12 1m58 s LYS 79 N -3.95 1.07 0.26 -0.62 2.20 -1.13 -4.76 119.74 112.82 1m58 s LYS 79 Ca 0.35 -1.50 0.02 0.00 -0.36 0.00 0.00 55.97 54.48 1m58 s LYS 79 Cb 0.08 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 1m58 s LYS 79 CO 0.13 -0.08 0.17 -0.48 -0.36 0.00 0.00 175.35 174.72 1m58 s LEU 80 N -3.16 1.46 -0.06 5.43 0.05 -1.26 -0.16 118.68 120.99 1m58 s LEU 80 Ca 0.21 -1.52 -0.04 0.00 0.05 0.00 0.00 54.13 52.84 1m58 s LEU 80 Cb 0.05 0.34 0.03 0.00 -2.05 0.00 0.00 46.19 44.56 1m58 s LEU 80 CO 0.02 -0.89 0.14 -0.75 -0.55 0.00 0.00 176.35 174.31 1m58 s LYS 81 N -3.90 0.12 -0.30 1.48 2.47 -0.81 -4.95 119.74 113.86 1m58 s LYS 81 Ca 0.38 0.27 -0.11 0.00 -1.56 0.00 0.00 55.97 54.96 1m58 s LYS 81 Cb 0.05 -0.05 -0.03 0.00 -1.46 0.00 0.00 37.83 36.34 1m58 s LYS 81 CO 0.17 -0.09 0.18 0.15 0.16 0.00 0.00 175.35 175.92 1m58 s LYS 82 N 0.61 3.68 -0.01 4.03 1.02 -1.26 -2.59 119.74 125.22 1m58 s LYS 82 Ca -0.04 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1m58 s LYS 82 Cb -0.06 -3.63 -0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1m58 s LYS 82 CO -0.03 -0.29 -0.07 -1.12 -0.92 0.00 0.00 175.35 172.92 1m58 s SER 83 N 1.70 0.93 -0.38 2.83 0.01 -0.66 -4.91 113.70 113.22 1m58 s SER 83 Ca 0.06 -0.14 -0.19 0.00 1.31 0.00 0.00 55.95 56.99 1m58 s SER 83 Cb -0.16 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1m58 s SER 83 CO 0.09 0.07 0.57 -0.44 0.41 0.00 0.00 173.24 173.94 1m58 s SER 84 N 0.05 6.33 0.19 2.44 0.01 -1.26 -0.82 113.70 120.64 1m58 s SER 84 Ca -0.00 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 1m58 s SER 84 Cb -0.06 -2.29 0.04 0.00 0.21 0.00 0.00 66.02 63.92 1m58 s SER 84 CO -0.00 -0.60 0.56 0.21 0.41 0.00 0.00 173.24 173.83 1m58 s ASN 85 N 1.84 -0.35 0.71 2.44 2.47 -0.79 -4.83 114.94 116.42 1m58 s ASN 85 Ca 0.21 -0.34 -0.11 0.00 0.42 0.00 0.00 52.86 53.04 1m58 s ASN 85 Cb -0.15 0.60 0.02 0.00 -1.45 0.00 0.00 41.25 40.26 1m58 s ASN 85 CO 0.15 -1.05 1.10 0.42 -3.72 0.00 0.00 177.10 174.00 1m58 s THR 86 N -3.84 3.49 0.17 -5.21 -4.23 -1.26 -1.66 115.64 103.10 1m58 s THR 86 Ca 0.06 0.48 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1m58 s THR 86 Cb -0.01 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.32 1m58 s THR 86 CO -0.05 -0.63 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.67 1m58 s ILE 87 N -3.35 1.29 -0.26 2.99 1.09 -1.26 -2.96 121.20 118.74 1m58 s ILE 87 Ca 0.58 -2.09 0.01 0.00 -1.10 0.00 0.00 60.65 58.05 1m58 s ILE 87 Cb -0.11 -1.96 0.07 0.00 -1.06 0.00 0.00 42.46 39.40 1m58 s ILE 87 CO 0.52 -0.66 -0.03 0.00 -0.10 0.00 0.00 174.94 174.67 1m58 s ILE 89 N 1.29 1.39 -0.21 0.00 -4.36 -0.90 -0.26 121.20 118.15 1m58 s ILE 89 Ca -0.02 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.30 1m58 s ILE 89 Cb -0.19 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 1m58 s ILE 89 CO -0.08 0.00 0.06 -0.89 0.24 0.00 0.00 174.94 174.27 1m58 s THR 90 N -2.85 4.55 0.29 8.37 2.01 -0.63 -1.41 115.64 125.97 1m58 s THR 90 Ca 0.16 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1m58 s THR 90 Cb 0.04 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1m58 s THR 90 CO 0.08 0.41 0.52 0.00 -0.69 0.00 0.00 174.62 174.94 1m58 s GLU 92 N -3.73 0.08 -1.01 0.00 2.12 -0.21 -1.05 118.70 114.90 1m58 s GLU 92 Ca 0.42 0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 1m58 s GLU 92 Cb -0.10 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1m58 s GLU 92 CO 0.32 -0.02 0.86 -1.71 -0.54 0.00 0.00 175.26 174.17 1m58 n ASN 93 N 3.85 -3.78 -0.06 -1.70 4.05 0.20 -2.37 115.26 115.45 1m58 n ASN 93 Ca -0.12 -0.46 -0.01 0.00 0.45 0.00 0.00 54.58 54.44 1m58 n ASN 93 Cb 0.56 -4.10 -0.00 0.00 1.23 0.00 0.00 39.78 37.46 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1m58 n LYS 94 N -3.76 -1.52 -3.73 1.20 4.01 -0.97 -4.95 118.16 108.44 1m58 n LYS 94 Ca -0.11 0.42 -0.14 0.00 -0.51 0.00 0.00 58.31 57.97 1m58 n LYS 94 Cb 0.59 -4.57 -0.09 0.00 -0.51 0.00 0.00 35.03 30.45 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1m58 s LEU 95 N -0.17 0.55 0.43 -0.35 0.05 -1.00 -4.04 118.68 114.16 1m58 s LEU 95 Ca 0.00 0.47 -0.14 0.00 0.05 0.00 0.00 54.13 54.52 1m58 s LEU 95 Cb 0.00 1.42 -0.08 0.00 -2.05 0.00 0.00 46.19 45.48 1m58 s LEU 95 CO 0.00 -0.31 0.85 -2.16 -0.55 0.00 0.00 176.35 174.18 1m58 s PRO 96 N -0.59 3.90 0.00 1.48 0.04 -1.26 -1.05 135.00 137.52 1m58 s PRO 96 Ca -0.07 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1m58 s PRO 96 Cb -0.04 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1m58 s PRO 96 CO 0.03 -0.09 0.73 1.33 0.04 0.00 0.00 177.00 179.03 1m58 n VAL 97 N -1.23 0.00 -3.51 -0.36 0.24 -0.97 -3.96 118.33 108.55 1m58 n VAL 97 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1m58 n VAL 97 Cb 0.54 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.47 -0.26 6.34 3.76 -1.26 -4.90 115.29 118.50 1m58 s HIS 98 Ca 0.00 0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.33 1m58 s HIS 98 Cb 0.00 0.43 0.06 0.00 1.11 0.00 0.00 32.58 34.19 1m58 s HIS 98 CO 0.00 -0.74 -0.10 -0.59 -0.85 0.00 0.00 174.74 172.45 1m58 s PHE 99 N -3.10 3.26 -0.04 1.40 -0.71 -1.26 -1.61 117.98 115.92 1m58 s PHE 99 Ca -0.02 -2.33 -0.05 0.00 -1.04 0.00 0.00 56.93 53.49 1m58 s PHE 99 Cb -0.00 -1.95 -0.03 0.00 -1.21 0.00 0.00 43.02 39.83 1m58 s PHE 99 CO -0.07 -0.88 0.32 0.28 -1.34 0.00 0.00 175.22 173.53 1m58 h VAL 100 N 6.76 0.00 -1.27 -2.49 2.07 -0.92 -3.48 116.25 116.91 1m58 h VAL 100 Ca -0.19 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1m58 h VAL 100 Cb 1.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1m58 h VAL 100 CO 0.46 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.05 1m58 n ALA 101 N -2.46 0.00 -1.85 1.67 0.00 -0.76 -4.96 120.51 112.16 1m58 n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1m58 n ALA 101 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.03 0.00 0.24 -1.26 -0.17 118.33 117.11 1m58 n VAL 102 Ca 0.00 0.00 0.24 0.00 -2.04 0.00 0.00 64.34 62.54 1m58 n VAL 102 Cb 0.00 0.00 0.69 0.00 -1.47 0.00 0.00 33.84 33.06 1m58 n VAL 102 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1m58 h GLU 103 N 0.00 0.00 -4.52 7.34 4.81 -1.83 -3.28 114.58 117.10 1m58 h GLU 103 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1m58 h GLU 103 Cb 0.00 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.10 1m58 h GLU 103 CO 0.00 0.00 -0.51 -1.21 -0.73 0.00 0.00 179.01 176.56 1m58 s GLU 104 N -4.63 2.62 -0.10 1.92 2.02 -1.26 -4.98 118.70 114.28 1m58 s GLU 104 Ca -0.04 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 53.48 1m58 s GLU 104 Cb 0.16 -3.70 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1m58 s GLU 104 CO 0.57 -0.85 0.28 0.00 0.02 0.00 0.00 175.26 175.28