#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 4.14 0.59 2.12 -0.21 -1.26 -5.00 119.66 120.04 1m58 s GLN 2 Ca 0.00 2.56 0.09 0.00 0.02 0.00 0.00 55.36 58.02 1m58 s GLN 2 Cb 0.00 -3.23 0.09 0.00 1.00 0.00 0.00 33.01 30.87 1m58 s GLN 2 CO 0.00 -0.75 0.81 0.54 -2.12 0.00 0.00 175.29 173.77 1m58 s ASN 3 N 1.59 5.03 0.58 5.90 4.22 -1.26 -4.86 114.94 126.14 1m58 s ASN 3 Ca 0.76 -0.79 0.28 0.00 -2.14 0.00 0.00 52.86 50.97 1m58 s ASN 3 Cb -0.48 0.24 1.66 0.00 1.28 0.00 0.00 41.25 43.95 1m58 s ASN 3 CO 0.33 -1.38 2.13 -0.25 -2.04 0.00 0.00 177.10 175.88 1m58 h TRP 4 N 0.11 0.00 0.24 1.54 -0.00 -1.91 0.09 115.95 116.03 1m58 h TRP 4 Ca -0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.57 1m58 h TRP 4 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.45 1m58 h TRP 4 CO 0.36 0.00 -0.12 1.49 -0.00 0.00 0.00 178.44 180.18 1m58 h GLU 5 N 0.00 -0.31 -0.71 2.65 4.57 -1.93 -0.69 114.58 118.16 1m58 h GLU 5 Ca 0.07 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1m58 h GLU 5 Cb 0.39 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1m58 h GLU 5 CO -0.00 -0.21 0.47 1.15 -1.18 0.00 0.00 179.01 179.24 1m58 h THR 6 N -0.53 1.06 -0.67 0.32 2.02 -1.91 -0.60 112.91 112.59 1m58 h THR 6 Ca -0.03 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1m58 h THR 6 Cb 0.25 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1m58 h THR 6 CO 0.05 0.14 0.22 0.15 0.37 0.00 0.00 175.52 176.46 1m58 h PHE 7 N 0.79 1.05 -0.08 3.16 3.04 -1.03 -2.13 116.94 121.73 1m58 h PHE 7 Ca 0.29 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 62.07 1m58 h PHE 7 Cb 0.17 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1m58 h PHE 7 CO -0.00 0.83 -0.34 1.96 -2.02 0.00 0.00 178.31 178.74 1m58 h GLN 8 N 0.99 0.16 0.28 1.11 4.20 0.44 -0.36 115.11 121.93 1m58 h GLN 8 Ca 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1m58 h GLN 8 Cb 0.26 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1m58 h GLN 8 CO -0.01 0.48 -0.13 0.87 -0.67 0.00 0.00 178.83 179.37 1m58 h LYS 9 N 0.14 -0.36 0.00 1.46 1.79 -0.72 -0.30 116.57 118.58 1m58 h LYS 9 Ca 0.02 0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.35 1m58 h LYS 9 Cb 0.67 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 1m58 h LYS 9 CO 0.05 -0.08 -0.86 0.87 -1.08 0.00 0.00 179.45 178.36 1m58 h LYS 10 N -0.64 0.00 0.00 3.15 1.57 -1.51 -3.40 116.57 115.73 1m58 h LYS 10 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1m58 h LYS 10 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1m58 h LYS 10 CO 0.06 0.68 -0.69 0.72 -0.57 0.00 0.00 179.45 179.65 1m58 n HIS 11 N -3.23 0.65 -2.86 -1.35 8.25 -0.15 -4.69 115.22 111.84 1m58 n HIS 11 Ca -0.01 0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 57.43 1m58 n HIS 11 Cb 0.84 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -8.11 3.83 0.23 2.41 1.02 -0.12 0.27 118.68 118.20 1m58 s LEU 12 Ca -0.20 1.11 -0.03 0.00 0.02 0.00 0.00 54.13 55.03 1m58 s LEU 12 Cb 0.03 -3.99 -0.03 0.00 0.02 0.00 0.00 46.19 42.22 1m58 s LEU 12 CO 0.29 -0.40 0.24 -0.89 0.02 0.00 0.00 176.35 175.61 1m58 s THR 13 N -2.37 0.00 -0.23 5.49 2.01 -0.60 -4.43 115.64 115.51 1m58 s THR 13 Ca 0.51 -1.84 0.14 0.00 0.31 0.00 0.00 61.69 60.81 1m58 s THR 13 Cb -0.10 -2.44 0.60 0.00 0.01 0.00 0.00 72.50 70.57 1m58 s THR 13 CO 0.32 0.00 1.54 0.47 -0.69 0.00 0.00 174.62 176.26 1m58 n ASP 14 N -0.43 4.11 -4.20 3.53 8.00 -1.26 -3.74 116.55 122.56 1m58 n ASP 14 Ca 0.01 -3.14 -0.15 0.00 0.71 0.00 0.00 54.79 52.22 1m58 n ASP 14 Cb 0.65 -0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1m58 n ASP 14 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1m58 s THR 15 N -2.91 1.05 -0.10 -3.53 2.01 -1.26 -5.05 115.64 105.84 1m58 s THR 15 Ca 0.46 -1.73 0.11 0.00 0.31 0.00 0.00 61.69 60.85 1m58 s THR 15 Cb 0.38 -1.47 -0.15 0.00 0.01 0.00 0.00 72.50 71.26 1m58 s THR 15 CO 0.09 -0.57 0.07 -2.11 -0.69 0.00 0.00 174.62 171.42 1m58 n ARG 16 N 0.42 1.85 -1.26 4.92 1.85 -1.26 -4.51 116.66 118.67 1m58 n ARG 16 Ca -0.15 -0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.37 1m58 n ARG 16 Cb 0.58 -1.30 0.06 0.00 -1.05 0.00 0.00 32.46 30.75 1m58 n ARG 16 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1m58 n ASP 17 N -2.38 7.38 -4.49 2.89 2.03 -1.26 -4.98 116.55 115.74 1m58 n ASP 17 Ca -0.17 -3.61 -0.32 0.00 0.52 0.00 0.00 54.79 51.21 1m58 n ASP 17 Cb 0.82 -1.01 0.14 0.00 -0.72 0.00 0.00 41.12 40.35 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1m58 n VAL 18 N -0.55 0.00 -4.53 5.18 0.31 -1.26 -5.04 118.33 112.43 1m58 n VAL 18 Ca 0.54 -0.14 -0.27 0.00 -0.01 0.00 0.00 64.34 64.46 1m58 n VAL 18 Cb 0.61 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1m58 s LYS 19 N -3.98 2.00 0.00 5.55 1.02 -1.26 -5.07 119.74 118.00 1m58 s LYS 19 Ca 0.60 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.53 1m58 s LYS 19 Cb -0.21 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1m58 s LYS 19 CO 0.64 -0.06 0.00 0.00 -0.92 0.00 0.00 175.35 175.01 1m58 h ASP 21 N 0.00 -0.16 0.68 0.00 5.19 -1.92 -2.22 116.42 117.98 1m58 h ASP 21 Ca 0.00 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.29 1m58 h ASP 21 Cb 0.54 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1m58 h ASP 21 CO 0.00 0.13 -0.61 0.00 -3.12 0.00 0.00 179.24 175.64 1m58 h ALA 22 N -1.42 0.94 0.23 3.45 0.00 -1.88 -2.34 119.26 118.23 1m58 h ALA 22 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1m58 h ALA 22 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1m58 h ALA 22 CO 0.03 0.76 -0.11 0.93 0.00 0.00 0.00 179.25 180.86 1m58 h GLU 23 N 0.00 -0.30 -0.20 0.00 4.39 -1.77 -3.23 114.58 113.47 1m58 h GLU 23 Ca -0.01 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1m58 h GLU 23 Cb 1.11 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1m58 h GLU 23 CO 0.08 -0.04 0.08 1.98 -1.16 0.00 0.00 179.01 179.95 1m58 h MET 24 N -1.01 0.28 0.00 2.33 4.05 -1.50 -1.24 114.93 117.84 1m58 h MET 24 Ca -0.03 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1m58 h MET 24 Cb 0.41 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1m58 h MET 24 CO 0.05 0.23 -0.03 -0.22 0.23 0.00 0.00 176.91 177.17 1m58 h LYS 25 N 0.28 0.00 -6.83 0.39 1.63 -1.49 0.51 116.57 111.06 1m58 h LYS 25 Ca 0.07 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.31 1m58 h LYS 25 Cb 0.06 0.00 0.18 0.00 -0.60 0.00 0.00 32.23 31.87 1m58 h LYS 25 CO -0.01 0.03 -0.04 1.17 -3.45 0.00 0.00 179.45 177.16 1m58 n LYS 26 N -3.67 0.54 0.24 1.90 3.00 -0.47 -4.19 118.16 115.51 1m58 n LYS 26 Ca -0.03 0.23 0.17 0.00 -0.00 0.00 0.00 58.31 58.69 1m58 n LYS 26 Cb 0.13 -2.09 0.89 0.00 0.00 0.00 0.00 35.03 33.96 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m58 h ALA 27 N -0.10 1.63 -0.84 3.14 0.00 -1.88 0.91 119.26 122.12 1m58 h ALA 27 Ca -0.47 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1m58 h ALA 27 Cb 1.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1m58 h ALA 27 CO 0.47 -0.22 0.55 1.25 0.00 0.00 0.00 179.25 181.29 1m58 h LEU 28 N 0.00 0.80 0.00 0.00 5.85 -1.88 -3.30 115.31 116.78 1m58 h LEU 28 Ca 0.06 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1m58 h LEU 28 Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1m58 h LEU 28 CO -0.00 0.51 -1.31 0.49 -0.34 0.00 0.00 178.44 177.79 1m58 n PHE 29 N -4.49 0.00 -3.10 1.25 3.72 -0.58 -5.05 117.46 109.21 1m58 n PHE 29 Ca 0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 1m58 n PHE 29 Cb 0.23 -0.21 0.07 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.56 -2.57 -3.42 4.37 2.03 0.30 -3.42 116.55 111.28 1m58 n ASP 30 Ca -0.09 -0.45 -0.18 0.00 0.52 0.00 0.00 54.79 54.59 1m58 n ASP 30 Cb 0.61 -3.93 0.07 0.00 -0.72 0.00 0.00 41.12 37.15 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 -5.12 2.96 0.00 0.00 2.20 -1.22 -4.98 119.74 113.57 1m58 s LYS 32 Ca 0.22 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1m58 s LYS 32 Cb -0.04 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1m58 s LYS 32 CO 0.76 -1.10 0.99 1.04 -0.36 0.00 0.00 175.35 176.68 1m58 n GLN 33 N -2.63 0.00 -4.37 4.03 6.02 -1.26 -4.82 117.38 114.35 1m58 n GLN 33 Ca 0.09 0.53 -0.26 0.00 -0.01 0.00 0.00 57.00 57.34 1m58 n GLN 33 Cb 0.53 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.19 1m58 n GLN 33 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1m58 s LYS 34 N -2.96 1.78 -0.26 -1.09 1.02 -1.26 -2.18 119.74 114.78 1m58 s LYS 34 Ca 0.00 -1.44 -0.12 0.00 0.02 0.00 0.00 55.97 54.43 1m58 s LYS 34 Cb 0.00 -1.98 0.10 0.00 -0.52 0.00 0.00 37.83 35.43 1m58 s LYS 34 CO 0.00 0.41 0.60 1.21 -0.92 0.00 0.00 175.35 176.65 1m58 s ASN 35 N -2.84 -0.88 -0.50 2.83 3.04 -1.08 -5.00 114.94 110.51 1m58 s ASN 35 Ca 0.24 1.39 -0.17 0.00 0.04 0.00 0.00 52.86 54.36 1m58 s ASN 35 Cb -0.08 1.65 0.07 0.00 -1.54 0.00 0.00 41.25 41.36 1m58 s ASN 35 CO 0.13 -0.23 0.50 -0.89 -3.04 0.00 0.00 177.10 173.57 1m58 s THR 36 N 2.21 5.09 -0.32 -5.21 2.01 -1.26 -0.31 115.64 117.85 1m58 s THR 36 Ca -0.07 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.91 1m58 s THR 36 Cb -0.09 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1m58 s THR 36 CO -0.18 -0.71 0.19 -0.36 -0.69 0.00 0.00 174.62 172.87 1m58 s PHE 37 N 2.02 3.20 0.30 4.92 0.08 -0.55 -4.51 117.98 123.44 1m58 s PHE 37 Ca 0.08 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.75 1m58 s PHE 37 Cb -0.23 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 39.79 1m58 s PHE 37 CO 0.08 -0.42 0.45 0.42 -0.10 0.00 0.00 175.22 175.65 1m58 s ILE 38 N 1.66 4.65 -0.13 0.64 1.01 0.14 -0.41 121.20 128.77 1m58 s ILE 38 Ca 0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 1m58 s ILE 38 Cb -0.17 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1m58 s ILE 38 CO 0.08 -0.28 -0.08 -0.47 0.00 0.00 0.00 174.94 174.19 1m58 s TYR 39 N -2.13 1.60 0.00 3.97 5.04 -1.03 -1.56 117.35 123.24 1m58 s TYR 39 Ca 0.40 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 1m58 s TYR 39 Cb -0.09 -1.29 0.00 0.00 0.35 0.00 0.00 41.96 40.93 1m58 s TYR 39 CO 0.31 -0.55 0.00 0.00 -1.34 0.00 0.00 175.55 173.97 1m58 n ALA 40 N 4.91 0.00 -2.85 3.97 0.00 -1.25 -3.94 120.51 121.36 1m58 n ALA 40 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1m58 n ALA 40 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1m58 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1m58 s ARG 41 N -2.00 3.43 -0.11 0.00 1.81 -1.26 -4.72 118.95 116.10 1m58 s ARG 41 Ca 0.00 -0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 53.25 1m58 s ARG 41 Cb 0.00 -2.82 -0.10 0.00 -0.45 0.00 0.00 34.95 31.58 1m58 s ARG 41 CO 0.00 0.33 0.31 -1.00 -0.68 0.00 0.00 175.30 174.26 1m58 h PRO 42 N 1.03 -0.02 -0.30 3.54 0.13 -1.99 -3.20 132.00 131.20 1m58 h PRO 42 Ca -0.51 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1m58 h PRO 42 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1m58 h PRO 42 CO 0.61 0.36 0.26 0.78 -0.23 0.00 0.00 178.00 179.77 1m58 h GLY 43 N -1.00 0.00 2.00 1.56 0.00 -1.99 0.40 103.07 104.04 1m58 h GLY 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m58 h GLY 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.45 1m58 h ARG 44 N 0.00 0.00 0.00 4.80 2.43 -1.99 -3.28 114.38 116.33 1m58 h ARG 44 Ca 0.14 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.06 1m58 h ARG 44 Cb 0.67 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 1m58 h ARG 44 CO -0.00 0.00 -2.10 0.28 -1.51 0.00 0.00 179.97 176.64 1m58 n VAL 45 N -3.07 0.97 -0.31 0.20 0.31 0.36 -4.47 118.33 112.32 1m58 n VAL 45 Ca 0.04 -0.66 -0.04 0.00 -0.01 0.00 0.00 64.34 63.66 1m58 n VAL 45 Cb 0.51 -0.45 0.08 0.00 -0.91 0.00 0.00 33.84 33.07 1m58 n VAL 45 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1m58 h GLN 46 N 0.00 1.12 -0.27 5.55 4.20 -0.44 -1.12 115.11 124.15 1m58 h GLN 46 Ca -0.38 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.32 1m58 h GLN 46 Cb 1.84 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.37 1m58 h GLN 46 CO 0.02 0.77 0.21 0.00 -0.67 0.00 0.00 178.83 179.15 1m58 h ALA 47 N 1.29 2.17 0.00 3.87 0.00 -1.78 0.85 119.26 125.67 1m58 h ALA 47 Ca 0.30 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1m58 h ALA 47 Cb -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1m58 h ALA 47 CO -0.06 -0.34 -1.12 1.25 0.00 0.00 0.00 179.25 178.97 1m58 h LEU 48 N 0.00 0.01 -3.14 0.00 5.85 -1.47 -3.30 115.31 113.26 1m58 h LEU 48 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1m58 h LEU 48 Cb 0.54 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1m58 h LEU 48 CO -0.00 1.01 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 1m58 n LYS 50 N 0.52 3.01 0.00 0.00 4.76 0.27 -3.02 118.16 123.70 1m58 n LYS 50 Ca 0.22 -3.67 0.00 0.00 -2.87 0.00 0.00 58.31 51.99 1m58 n LYS 50 Cb 0.81 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 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 -0.76 3.30 -4.49 4.39 6.94 -1.26 -5.00 115.26 118.37 1m58 n ASN 51 Ca 0.54 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.79 1m58 n ASN 51 Cb 0.67 0.35 -0.12 0.00 -2.36 0.00 0.00 39.78 38.32 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 -1.63 3.03 -0.24 1.53 1.01 -1.26 -5.03 121.20 118.62 1m58 s ILE 52 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1m58 s ILE 52 Cb 0.00 -2.28 -0.15 0.00 0.01 0.00 0.00 42.46 40.04 1m58 s ILE 52 CO 0.00 0.38 -0.22 -0.38 0.00 0.00 0.00 174.94 174.72 1m58 n ILE 53 N 1.62 1.34 -1.34 2.92 -0.00 -1.26 -2.21 119.36 120.44 1m58 n ILE 53 Ca -0.16 -0.49 -0.20 0.00 -0.00 0.00 0.00 62.75 61.90 1m58 n ILE 53 Cb 0.52 -1.39 0.15 0.00 -0.00 0.00 0.00 39.64 38.92 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 -3.29 0.00 -2.90 1.39 0.24 -1.26 0.68 118.33 113.19 1m58 n VAL 54 Ca -0.42 -0.53 -0.41 0.00 -2.04 0.00 0.00 64.34 60.94 1m58 n VAL 54 Cb 0.93 -1.48 -0.04 0.00 -1.47 0.00 0.00 33.84 31.78 1m58 n VAL 54 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1m58 s SER 55 N -3.94 7.10 0.37 -1.34 0.01 -1.26 -3.91 113.70 110.73 1m58 s SER 55 Ca 0.49 1.34 -0.16 0.00 1.31 0.00 0.00 55.95 58.93 1m58 s SER 55 Cb -0.03 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.78 1m58 s SER 55 CO 0.35 -0.24 0.77 -0.54 0.41 0.00 0.00 173.24 174.00 1m58 s LYS 56 N 1.21 2.17 -0.17 12.44 1.02 -0.73 -4.98 119.74 130.70 1m58 s LYS 56 Ca 0.42 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.96 1m58 s LYS 56 Cb -0.18 0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 37.71 1m58 s LYS 56 CO 0.20 -1.01 0.02 -0.80 -0.92 0.00 0.00 175.35 172.84 1m58 s ASN 57 N -3.06 5.27 0.05 2.83 0.02 -1.26 -0.20 114.94 118.59 1m58 s ASN 57 Ca 0.15 -0.01 0.09 0.00 -1.02 0.00 0.00 52.86 52.08 1m58 s ASN 57 Cb -0.05 -1.88 -0.03 0.00 0.02 0.00 0.00 41.25 39.31 1m58 s ASN 57 CO 0.11 0.18 -0.26 0.54 0.02 0.00 0.00 177.10 177.68 1m58 s VAL 58 N 0.35 2.13 -0.04 1.60 0.11 -0.04 -4.89 120.40 119.61 1m58 s VAL 58 Ca -0.00 -1.40 0.04 0.00 -2.93 0.00 0.00 61.98 57.69 1m58 s VAL 58 Cb -0.13 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.87 1m58 s VAL 58 CO 0.01 0.35 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.21 1m58 s LEU 59 N -1.28 2.65 0.12 2.54 1.43 -1.26 -1.88 118.68 121.01 1m58 s LEU 59 Ca 0.12 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 1m58 s LEU 59 Cb -0.10 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 1m58 s LEU 59 CO 0.02 0.34 0.77 -0.94 0.23 0.00 0.00 176.35 176.78 1m58 s SER 60 N -0.74 7.33 -0.05 2.29 1.04 -0.97 -4.99 113.70 117.62 1m58 s SER 60 Ca 0.11 1.58 -0.18 0.00 0.48 0.00 0.00 55.95 57.95 1m58 s SER 60 Cb -0.11 -2.49 -0.31 0.00 0.10 0.00 0.00 66.02 63.22 1m58 s SER 60 CO 0.00 0.14 0.78 0.74 0.98 0.00 0.00 173.24 175.89 1m58 h THR 61 N 3.60 1.25 -3.57 2.02 2.02 -1.99 -3.42 112.91 112.82 1m58 h THR 61 Ca -0.46 -2.52 -0.52 0.00 0.77 0.00 0.00 66.41 63.68 1m58 h THR 61 Cb 1.21 2.97 -0.03 0.00 -1.74 0.00 0.00 68.15 70.56 1m58 h THR 61 CO 0.68 0.75 0.10 -1.81 0.37 0.00 0.00 175.52 175.60 1m58 s ASP 62 N -7.15 7.03 0.07 4.18 1.11 -1.26 -4.95 116.67 115.71 1m58 s ASP 62 Ca -0.15 1.40 -0.31 0.00 0.18 0.00 0.00 52.55 53.67 1m58 s ASP 62 Cb 0.03 -2.41 -0.08 0.00 1.07 0.00 0.00 42.92 41.53 1m58 s ASP 62 CO 0.84 0.02 1.52 -1.61 1.18 0.00 0.00 175.17 177.12 1m58 s GLU 63 N -2.03 4.25 -0.01 8.23 2.02 -1.26 -4.53 118.70 125.36 1m58 s GLU 63 Ca 0.43 2.19 -0.00 0.00 0.02 0.00 0.00 54.97 57.61 1m58 s GLU 63 Cb -0.16 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1m58 s GLU 63 CO 0.21 -0.62 0.07 -0.06 0.02 0.00 0.00 175.26 174.88 1m58 s PHE 64 N 2.06 3.26 0.26 1.61 0.08 -0.68 -4.69 117.98 119.89 1m58 s PHE 64 Ca 0.69 0.20 -0.29 0.00 0.12 0.00 0.00 56.93 57.64 1m58 s PHE 64 Cb -0.38 -1.74 -0.09 0.00 -0.57 0.00 0.00 43.02 40.24 1m58 s PHE 64 CO 0.30 0.54 1.21 0.71 -0.10 0.00 0.00 175.22 177.89 1m58 s TYR 65 N -1.16 3.34 -0.19 0.36 2.02 -1.25 -0.94 117.35 119.53 1m58 s TYR 65 Ca 0.22 1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 58.38 1m58 s TYR 65 Cb -0.12 -3.48 0.06 0.00 -0.40 0.00 0.00 41.96 38.02 1m58 s TYR 65 CO 0.13 -1.27 0.02 -0.51 -1.57 0.00 0.00 175.55 172.34 1m58 s LEU 66 N -1.11 1.33 -0.38 -1.29 1.43 0.52 -2.48 118.68 116.69 1m58 s LEU 66 Ca 0.49 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1m58 s LEU 66 Cb -0.35 -0.67 0.10 0.00 0.03 0.00 0.00 46.19 45.29 1m58 s LEU 66 CO 0.43 -0.28 0.16 -0.55 0.23 0.00 0.00 176.35 176.34 1m58 s SER 67 N 1.80 5.17 0.04 2.29 0.15 0.45 -0.92 113.70 122.69 1m58 s SER 67 Ca -0.01 -1.88 0.03 0.00 0.70 0.00 0.00 55.95 54.79 1m58 s SER 67 Cb -0.17 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1m58 s SER 67 CO -0.08 -0.48 -0.01 1.51 1.20 0.00 0.00 173.24 175.38 1m58 s ASP 68 N 1.67 5.00 -0.03 5.45 -4.77 -1.06 -1.49 116.67 121.44 1m58 s ASP 68 Ca 0.06 -0.10 -0.03 0.00 -3.30 0.00 0.00 52.55 49.18 1m58 s ASP 68 Cb -0.22 -1.24 -0.04 0.00 -1.09 0.00 0.00 42.92 40.33 1m58 s ASP 68 CO -0.04 0.24 0.16 0.00 0.70 0.00 0.00 175.17 176.23 1m58 s ASN 70 N -1.72 1.44 -0.09 0.00 0.01 -0.70 -2.63 114.94 111.25 1m58 s ASN 70 Ca 0.24 -0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.87 1m58 s ASN 70 Cb -0.12 -0.30 -0.03 0.00 0.41 0.00 0.00 41.25 41.20 1m58 s ASN 70 CO 0.15 0.11 1.40 -0.60 -1.51 0.00 0.00 177.10 176.65 1m58 s ARG 71 N -0.01 4.24 0.00 -0.60 6.06 -0.93 -2.68 118.95 125.03 1m58 s ARG 71 Ca -0.00 1.87 0.00 0.00 -2.50 0.00 0.00 55.73 55.10 1m58 s ARG 71 Cb -0.08 -3.78 0.00 0.00 0.06 0.00 0.00 34.95 31.16 1m58 s ARG 71 CO 0.00 -0.70 0.00 -0.89 -2.50 0.00 0.00 175.30 171.21 1m58 n ILE 72 N 5.22 0.00 -3.43 4.11 5.41 -1.26 -5.01 119.36 124.39 1m58 n ILE 72 Ca 0.14 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.72 1m58 n ILE 72 Cb 0.44 -0.51 -0.11 0.00 -0.71 0.00 0.00 39.64 38.76 1m58 n ILE 72 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1m58 s LYS 73 N -1.81 0.29 1.06 0.38 2.36 -1.24 -5.13 119.74 115.65 1m58 s LYS 73 Ca 0.00 -0.05 -0.20 0.00 -2.55 0.00 0.00 55.97 53.17 1m58 s LYS 73 Cb 0.00 -0.80 0.00 0.00 -1.05 0.00 0.00 37.83 35.98 1m58 s LYS 73 CO 0.00 -0.92 -0.41 1.28 1.55 0.00 0.00 175.35 176.85 1m58 n LEU 74 N 5.31 -2.50 -0.02 5.43 4.32 -1.26 -3.61 117.00 124.67 1m58 n LEU 74 Ca -0.03 -0.02 -0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1m58 n LEU 74 Cb 0.47 -0.85 -0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1m58 n LEU 74 CO 0.03 -3.21 -0.01 1.55 -1.22 0.00 0.00 177.39 174.54 1m58 h PRO 75 N -1.66 0.00 -0.29 3.23 0.13 -2.01 -3.41 132.00 127.99 1m58 h PRO 75 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1m58 h PRO 75 Cb 1.36 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1m58 h PRO 75 CO 0.32 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 177.94 1m58 s HIS 77 N -3.25 3.58 0.45 0.00 3.76 -1.24 -3.84 115.29 114.76 1m58 s HIS 77 Ca 0.44 -1.83 0.03 0.00 -0.15 0.00 0.00 55.06 53.55 1m58 s HIS 77 Cb 0.40 -3.97 0.03 0.00 1.11 0.00 0.00 32.58 30.15 1m58 s HIS 77 CO -0.02 -1.15 0.28 0.66 -0.85 0.00 0.00 174.74 173.67 1m58 n TYR 78 N 4.75 -0.45 -4.75 1.40 4.01 -1.26 -3.64 117.16 117.22 1m58 n TYR 78 Ca 0.18 -1.96 -0.33 0.00 -0.16 0.00 0.00 57.90 55.62 1m58 n TYR 78 Cb 0.47 -0.36 -0.14 0.00 -0.31 0.00 0.00 39.34 39.01 1m58 n TYR 78 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1m58 s LYS 79 N -3.82 3.18 -0.30 -0.72 2.47 -1.09 -4.89 119.74 114.57 1m58 s LYS 79 Ca 0.22 -0.66 -0.10 0.00 -1.56 0.00 0.00 55.97 53.86 1m58 s LYS 79 Cb -0.02 -2.60 -0.02 0.00 -1.46 0.00 0.00 37.83 33.73 1m58 s LYS 79 CO 0.14 0.34 0.16 -1.17 0.16 0.00 0.00 175.35 174.98 1m58 s LEU 80 N 0.03 4.07 -0.42 5.43 2.96 -1.26 -1.72 118.68 127.78 1m58 s LEU 80 Ca -0.04 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1m58 s LEU 80 Cb -0.14 -2.04 0.07 0.00 0.50 0.00 0.00 46.19 44.58 1m58 s LEU 80 CO 0.04 -0.15 0.26 -0.54 -1.32 0.00 0.00 176.35 174.64 1m58 s LYS 81 N 1.66 2.66 -0.30 1.98 -0.14 -0.53 -4.91 119.74 120.17 1m58 s LYS 81 Ca 0.06 -1.39 -0.16 0.00 -1.36 0.00 0.00 55.97 53.11 1m58 s LYS 81 Cb -0.17 -3.79 -0.02 0.00 -1.68 0.00 0.00 37.83 32.16 1m58 s LYS 81 CO 0.08 -0.92 0.42 0.21 -0.76 0.00 0.00 175.35 174.38 1m58 s LYS 82 N 1.46 3.87 -0.08 1.68 2.20 -1.25 -2.55 119.74 125.07 1m58 s LYS 82 Ca 0.03 -0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 55.55 1m58 s LYS 82 Cb -0.22 -3.71 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1m58 s LYS 82 CO 0.03 -0.41 0.19 -1.12 -0.36 0.00 0.00 175.35 173.68 1m58 s SER 83 N 1.67 -0.19 -0.31 1.43 0.01 -0.09 -4.94 113.70 111.28 1m58 s SER 83 Ca 0.16 0.39 -0.15 0.00 1.31 0.00 0.00 55.95 57.66 1m58 s SER 83 Cb -0.16 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 1m58 s SER 83 CO 0.11 -0.10 0.36 -0.55 0.41 0.00 0.00 173.24 173.46 1m58 s SER 84 N 0.58 6.20 0.13 2.44 0.15 -1.26 -0.36 113.70 121.58 1m58 s SER 84 Ca -0.04 0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.39 1m58 s SER 84 Cb -0.05 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 1m58 s SER 84 CO -0.03 -0.25 0.72 0.21 1.20 0.00 0.00 173.24 175.09 1m58 s ASN 85 N 1.70 -0.45 0.38 5.45 2.47 -0.11 -4.78 114.94 119.60 1m58 s ASN 85 Ca 0.13 -0.10 -0.24 0.00 0.42 0.00 0.00 52.86 53.07 1m58 s ASN 85 Cb -0.16 0.55 -0.10 0.00 -1.45 0.00 0.00 41.25 40.09 1m58 s ASN 85 CO 0.11 -0.92 0.97 0.42 -3.72 0.00 0.00 177.10 173.96 1m58 s THR 86 N -3.57 4.16 0.38 -5.21 -4.23 -1.26 -1.69 115.64 104.23 1m58 s THR 86 Ca 0.04 1.59 0.05 0.00 -1.18 0.00 0.00 61.69 62.20 1m58 s THR 86 Cb -0.02 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.96 1m58 s THR 86 CO -0.08 -0.05 0.04 0.27 -0.54 0.00 0.00 174.62 174.25 1m58 s ILE 87 N -1.82 1.54 -0.26 2.99 -4.36 -1.26 -0.63 121.20 117.39 1m58 s ILE 87 Ca 0.56 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1m58 s ILE 87 Cb -0.16 -2.83 0.07 0.00 1.25 0.00 0.00 42.46 40.79 1m58 s ILE 87 CO 0.21 0.00 -0.04 0.00 0.24 0.00 0.00 174.94 175.34 1m58 s ILE 89 N 1.27 2.84 -0.32 0.00 -4.36 -0.79 -1.39 121.20 118.45 1m58 s ILE 89 Ca -0.03 -1.56 -0.17 0.00 -0.26 0.00 0.00 60.65 58.63 1m58 s ILE 89 Cb -0.19 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.48 1m58 s ILE 89 CO -0.07 -0.09 0.44 -0.89 0.24 0.00 0.00 174.94 174.57 1m58 s THR 90 N -2.46 5.10 0.29 8.37 2.01 -0.45 -0.86 115.64 127.64 1m58 s THR 90 Ca 0.42 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 1m58 s THR 90 Cb -0.02 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1m58 s THR 90 CO 0.25 -0.05 0.65 0.00 -0.69 0.00 0.00 174.62 174.77 1m58 s GLU 92 N -3.09 0.27 -1.38 0.00 2.12 0.12 -1.77 118.70 114.97 1m58 s GLU 92 Ca 0.50 0.39 -0.09 0.00 0.36 0.00 0.00 54.97 56.13 1m58 s GLU 92 Cb -0.11 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.39 1m58 s GLU 92 CO 0.22 -0.04 1.16 0.09 -0.54 0.00 0.00 175.26 176.14 1m58 n ASN 93 N 2.67 -6.36 -1.03 -1.70 4.13 0.21 -1.36 115.26 111.83 1m58 n ASN 93 Ca -0.15 -0.53 -0.13 0.00 1.68 0.00 0.00 54.58 55.45 1m58 n ASN 93 Cb 0.57 -5.01 -0.06 0.00 -1.54 0.00 0.00 39.78 33.74 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 -4.96 -1.32 -3.72 3.52 4.01 -0.94 -4.96 118.16 109.79 1m58 n LYS 94 Ca 0.00 0.95 -0.14 0.00 -0.51 0.00 0.00 58.31 58.62 1m58 n LYS 94 Cb 0.56 -5.20 -0.09 0.00 -0.51 0.00 0.00 35.03 29.79 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 -3.05 0.46 0.39 -0.35 0.05 -0.46 -4.15 118.68 111.57 1m58 s LEU 95 Ca 0.00 0.58 -0.20 0.00 0.05 0.00 0.00 54.13 54.56 1m58 s LEU 95 Cb 0.00 1.47 -0.10 0.00 -2.05 0.00 0.00 46.19 45.51 1m58 s LEU 95 CO 0.00 -0.29 0.90 -2.16 -0.55 0.00 0.00 176.35 174.25 1m58 s PRO 96 N -0.42 4.20 0.00 1.48 0.04 -1.26 -0.70 135.00 138.34 1m58 s PRO 96 Ca -0.06 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1m58 s PRO 96 Cb -0.03 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1m58 s PRO 96 CO 0.03 0.04 0.63 1.33 0.04 0.00 0.00 177.00 179.07 1m58 n VAL 97 N -0.47 0.00 -3.48 -0.36 0.24 -0.95 -3.90 118.33 109.40 1m58 n VAL 97 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.20 1m58 n VAL 97 Cb 0.53 0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 33.16 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 -0.61 -0.26 6.34 3.76 -1.25 -4.90 115.29 118.37 1m58 s HIS 98 Ca 0.00 0.80 -0.05 0.00 -0.15 0.00 0.00 55.06 55.66 1m58 s HIS 98 Cb 0.00 0.47 0.00 0.00 1.11 0.00 0.00 32.58 34.16 1m58 s HIS 98 CO 0.00 -0.70 0.03 0.12 -0.85 0.00 0.00 174.74 173.34 1m58 s PHE 99 N -2.21 3.08 -0.17 1.40 2.19 -1.26 -1.34 117.98 119.66 1m58 s PHE 99 Ca -0.06 -0.97 -0.15 0.00 0.33 0.00 0.00 56.93 56.08 1m58 s PHE 99 Cb -0.00 -2.19 -0.10 0.00 -1.31 0.00 0.00 43.02 39.42 1m58 s PHE 99 CO 0.01 -0.56 -0.02 0.28 1.83 0.00 0.00 175.22 176.76 1m58 n VAL 100 N 4.83 1.47 -2.88 3.12 0.31 -0.49 -4.93 118.33 119.75 1m58 n VAL 100 Ca -0.16 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1m58 n VAL 100 Cb 0.49 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 -3.56 0.00 -1.62 3.52 0.00 -0.83 -4.91 120.51 113.12 1m58 n ALA 101 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1m58 n ALA 101 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.22 0.00 0.24 -1.26 -0.33 118.33 116.77 1m58 n VAL 102 Ca 0.00 0.00 0.31 0.00 -2.04 0.00 0.00 64.34 62.61 1m58 n VAL 102 Cb 0.00 -0.30 0.64 0.00 -1.47 0.00 0.00 33.84 32.71 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 -4.74 7.34 4.81 -1.15 -3.04 114.58 117.79 1m58 h GLU 103 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 1m58 h GLU 103 Cb 0.00 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 1m58 h GLU 103 CO 0.00 0.00 -0.60 -1.21 -0.73 0.00 0.00 179.01 176.47 1m58 s GLU 104 N -4.65 2.94 0.08 1.92 0.41 -1.26 -4.90 118.70 113.24 1m58 s GLU 104 Ca -0.04 -0.97 -0.09 0.00 -0.41 0.00 0.00 54.97 53.46 1m58 s GLU 104 Cb 0.18 -3.45 -0.06 0.00 -1.78 0.00 0.00 34.13 29.03 1m58 s GLU 104 CO 0.62 -0.53 0.39 0.00 -0.49 0.00 0.00 175.26 175.24