#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl8 s GLU 2 N 0.00 3.19 -0.12 2.12 2.12 -0.51 -3.38 118.70 122.12 2kl8 s GLU 2 Ca 0.00 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.83 2kl8 s GLU 2 Cb 0.00 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.49 2kl8 s GLU 2 CO 0.00 0.61 -0.16 1.41 -0.54 0.00 0.00 175.26 176.58 2kl8 s MET 3 N -2.26 2.34 -0.30 4.30 -2.45 -0.36 -2.39 119.30 118.18 2kl8 s MET 3 Ca 0.30 -0.60 -0.08 0.00 -1.25 0.00 0.00 55.69 54.05 2kl8 s MET 3 Cb -0.13 -2.00 -0.00 0.00 1.25 0.00 0.00 34.83 33.95 2kl8 s MET 3 CO 0.22 -0.09 0.12 0.34 1.05 0.00 0.00 175.02 176.67 2kl8 s ASP 4 N 1.05 5.35 0.01 1.11 2.15 0.02 -0.94 116.67 125.42 2kl8 s ASP 4 Ca -0.05 -0.60 0.08 0.00 0.43 0.00 0.00 52.55 52.41 2kl8 s ASP 4 Cb -0.15 -1.95 -0.02 0.00 -0.30 0.00 0.00 42.92 40.50 2kl8 s ASP 4 CO -0.03 -0.19 -0.25 -0.63 -0.17 0.00 0.00 175.17 173.89 2kl8 s ILE 5 N 1.56 2.01 -0.09 4.11 1.01 0.21 -0.31 121.20 129.70 2kl8 s ILE 5 Ca 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 2kl8 s ILE 5 Cb -0.17 -1.69 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2kl8 s ILE 5 CO 0.04 0.48 0.19 -0.13 0.00 0.00 0.00 174.94 175.52 2kl8 s ARG 6 N -0.83 0.08 -0.22 2.79 0.52 0.48 0.58 118.95 122.35 2kl8 s ARG 6 Ca 0.10 0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 55.79 2kl8 s ARG 6 Cb -0.10 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 2kl8 s ARG 6 CO 0.00 -0.27 0.10 -0.06 0.02 0.00 0.00 175.30 175.09 2kl8 s PHE 7 N 2.03 3.22 -0.27 -0.53 0.08 -0.63 -0.99 117.98 120.89 2kl8 s PHE 7 Ca -0.01 -0.01 -0.09 0.00 0.12 0.00 0.00 56.93 56.95 2kl8 s PHE 7 Cb -0.12 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2kl8 s PHE 7 CO -0.07 -0.02 0.11 0.50 -0.10 0.00 0.00 175.22 175.64 2kl8 s ARG 8 N 0.96 3.68 -0.22 0.44 6.06 0.64 -0.17 118.95 130.34 2kl8 s ARG 8 Ca 0.05 -0.47 -0.28 0.00 -2.50 0.00 0.00 55.73 52.52 2kl8 s ARG 8 Cb -0.14 -3.45 0.14 0.00 0.06 0.00 0.00 34.95 31.57 2kl8 s ARG 8 CO 0.03 -0.22 1.12 0.20 -2.50 0.00 0.00 175.30 173.93 2kl8 s GLY 9 N 1.65 -0.11 0.00 8.12 0.00 0.18 -1.34 107.32 115.82 2kl8 s GLY 9 Ca 0.06 2.48 0.23 0.00 0.00 0.00 0.00 44.72 47.50 2kl8 s GLY 9 CO 0.06 1.33 1.49 2.09 0.00 0.00 0.00 173.10 178.07 2kl8 n ASP 10 N 1.13 2.36 -4.73 1.64 5.75 -1.26 -4.66 116.55 116.77 2kl8 n ASP 10 Ca -0.09 -1.80 -0.41 0.00 -0.01 0.00 0.00 54.79 52.48 2kl8 n ASP 10 Cb 0.57 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 2kl8 n ASP 10 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2kl8 s ASP 11 N -1.69 7.38 -0.04 -1.12 1.01 -1.26 -4.99 116.67 115.96 2kl8 s ASP 11 Ca 0.34 1.90 -0.24 0.00 0.71 0.00 0.00 52.55 55.26 2kl8 s ASP 11 Cb 0.20 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 41.36 2kl8 s ASP 11 CO 0.30 -0.16 1.05 0.25 0.21 0.00 0.00 175.17 176.81 2kl8 h LEU 12 N 5.62 -0.14 -1.88 1.23 5.85 -2.03 -3.22 115.31 120.74 2kl8 h LEU 12 Ca -0.43 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 57.93 2kl8 h LEU 12 Cb 1.21 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2kl8 h LEU 12 CO 0.73 0.39 0.19 -0.08 -0.34 0.00 0.00 178.44 179.32 2kl8 h GLU 13 N -0.73 0.15 -1.00 1.25 4.81 -2.01 -2.30 114.58 114.75 2kl8 h GLU 13 Ca -0.02 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2kl8 h GLU 13 Cb 0.54 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 2kl8 h GLU 13 CO 0.03 0.10 0.63 0.00 -0.73 0.00 0.00 179.01 179.03 2kl8 h ALA 14 N 1.86 1.48 0.19 2.92 0.00 -1.97 -0.17 119.26 123.57 2kl8 h ALA 14 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kl8 h ALA 14 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kl8 h ALA 14 CO -0.02 0.25 -0.24 0.35 0.00 0.00 0.00 179.25 179.59 2kl8 h PHE 15 N 1.01 -0.64 -0.00 0.00 3.57 -1.50 -0.25 116.94 119.13 2kl8 h PHE 15 Ca 0.49 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 2kl8 h PHE 15 Cb 0.44 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2kl8 h PHE 15 CO -0.01 -0.35 0.00 0.93 -2.23 0.00 0.00 178.31 176.66 2kl8 h GLU 16 N -0.49 0.01 0.42 1.11 5.08 -1.49 -2.40 114.58 116.82 2kl8 h GLU 16 Ca 0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2kl8 h GLU 16 Cb 0.47 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kl8 h GLU 16 CO -0.08 0.20 -0.20 0.87 -1.00 0.00 0.00 179.01 178.80 2kl8 h LYS 17 N -0.19 -0.55 -0.24 2.33 1.79 -1.05 -0.24 116.57 118.42 2kl8 h LYS 17 Ca 0.00 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2kl8 h LYS 17 Cb 0.20 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2kl8 h LYS 17 CO -0.00 -0.31 0.07 0.00 -1.08 0.00 0.00 179.45 178.13 2kl8 h ALA 18 N -0.12 0.26 -0.41 3.86 0.00 -1.10 -0.54 119.26 121.21 2kl8 h ALA 18 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kl8 h ALA 18 Cb 0.49 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2kl8 h ALA 18 CO 0.10 -0.35 0.14 1.25 0.00 0.00 0.00 179.25 180.39 2kl8 h LEU 19 N 0.18 0.59 -0.34 0.00 5.85 -1.45 -2.41 115.31 117.72 2kl8 h LEU 19 Ca 0.11 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kl8 h LEU 19 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2kl8 h LEU 19 CO -0.12 0.62 0.16 0.50 -0.34 0.00 0.00 178.44 179.26 2kl8 h LYS 20 N 0.52 0.49 -0.31 1.25 1.63 -0.65 -1.39 116.57 118.11 2kl8 h LYS 20 Ca 0.13 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2kl8 h LYS 20 Cb 0.23 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2kl8 h LYS 20 CO -0.01 0.45 0.07 0.93 -3.45 0.00 0.00 179.45 177.44 2kl8 h GLU 21 N 0.41 0.51 -0.16 1.90 4.39 -1.11 0.14 114.58 120.66 2kl8 h GLU 21 Ca 0.12 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2kl8 h GLU 21 Cb 0.13 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2kl8 h GLU 21 CO -0.01 0.59 -0.08 0.52 -1.16 0.00 0.00 179.01 178.86 2kl8 h MET 22 N 0.35 -0.07 -0.66 2.33 2.86 -1.33 -2.48 114.93 115.93 2kl8 h MET 22 Ca 0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2kl8 h MET 22 Cb 0.31 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2kl8 h MET 22 CO 0.00 -0.04 0.33 0.82 1.06 0.00 0.00 176.91 179.08 2kl8 h ILE 23 N -0.07 1.22 -0.62 -1.22 2.04 -1.16 -2.77 117.51 114.92 2kl8 h ILE 23 Ca 0.09 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.48 2kl8 h ILE 23 Cb 0.20 0.41 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 2kl8 h ILE 23 CO -0.20 0.25 0.00 -0.09 0.00 0.00 0.00 178.15 178.11 2kl8 h ARG 24 N 0.91 0.12 -0.19 2.37 2.43 -0.27 0.33 114.38 120.07 2kl8 h ARG 24 Ca 0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2kl8 h ARG 24 Cb 0.10 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2kl8 h ARG 24 CO -0.03 0.08 -0.09 1.96 -1.51 0.00 0.00 179.97 180.37 2kl8 h GLN 25 N 0.12 0.39 0.00 0.20 1.08 -1.40 -3.24 115.11 112.26 2kl8 h GLN 25 Ca 0.33 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 2kl8 h GLN 25 Cb 0.53 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2kl8 h GLN 25 CO -0.53 0.70 -0.11 0.00 -0.95 0.00 0.00 178.83 177.93 2kl8 h ALA 26 N 0.69 1.05 -0.29 3.87 0.00 -1.06 -3.12 119.26 120.40 2kl8 h ALA 26 Ca 0.04 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2kl8 h ALA 26 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kl8 h ALA 26 CO 0.03 0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.65 2kl8 h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -0.99 -0.06 114.38 116.41 2kl8 h ARG 27 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2kl8 h ARG 27 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 2kl8 h ARG 27 CO 0.01 0.00 -0.07 0.87 -1.07 0.00 0.00 179.97 179.71 2kl8 h LYS 28 N 0.00 0.00 -6.16 0.04 6.56 -1.74 -3.47 116.57 111.81 2kl8 h LYS 28 Ca 0.14 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.18 2kl8 h LYS 28 Cb 0.59 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.23 2kl8 h LYS 28 CO -0.00 0.07 -0.25 -0.06 -2.06 0.00 0.00 179.45 177.15 2kl8 s PHE 29 N -3.44 1.63 -0.30 -1.35 0.08 -0.04 -5.01 117.98 109.55 2kl8 s PHE 29 Ca 0.03 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.33 2kl8 s PHE 29 Cb 0.08 -2.02 0.35 0.00 -0.57 0.00 0.00 43.02 40.86 2kl8 s PHE 29 CO 0.62 -0.65 1.39 0.00 -0.10 0.00 0.00 175.22 176.48 2kl8 n ALA 30 N -1.89 3.88 -2.71 5.36 0.00 -1.26 -4.92 120.51 118.97 2kl8 n ALA 30 Ca 0.04 -1.35 -0.38 0.00 0.00 0.00 0.00 53.44 51.75 2kl8 n ALA 30 Cb 0.63 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2kl8 n ALA 30 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kl8 s GLY 31 N -0.19 2.28 -0.30 0.00 0.00 -1.20 -4.78 107.32 103.13 2kl8 s GLY 31 Ca 0.28 -0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.47 2kl8 s GLY 31 CO 0.06 0.73 0.71 -1.59 0.00 0.00 0.00 173.10 173.00 2kl8 s THR 32 N 0.77 4.87 -0.39 0.90 2.01 -0.33 -4.84 115.64 118.64 2kl8 s THR 32 Ca 0.23 1.03 -0.12 0.00 0.31 0.00 0.00 61.69 63.13 2kl8 s THR 32 Cb -0.15 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.32 2kl8 s THR 32 CO 0.08 -0.19 0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 2kl8 s VAL 33 N 2.77 4.73 0.21 3.82 1.01 -1.26 -1.44 120.40 130.25 2kl8 s VAL 33 Ca 0.29 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2kl8 s VAL 33 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kl8 s VAL 33 CO 0.12 -0.27 0.02 0.28 0.00 0.00 0.00 175.10 175.25 2kl8 s THR 34 N 1.58 3.73 -0.02 3.92 -1.32 -0.42 -4.97 115.64 118.14 2kl8 s THR 34 Ca 0.03 -1.58 -0.01 0.00 -1.21 0.00 0.00 61.69 58.92 2kl8 s THR 34 Cb -0.19 -2.93 0.02 0.00 -1.51 0.00 0.00 72.50 67.88 2kl8 s THR 34 CO 0.07 -0.23 0.05 -0.72 -2.21 0.00 0.00 174.62 171.59 2kl8 s TYR 35 N -1.97 -0.03 -0.06 9.09 1.13 -1.26 -0.71 117.35 123.54 2kl8 s TYR 35 Ca 0.29 0.17 0.02 0.00 -1.41 0.00 0.00 57.07 56.15 2kl8 s TYR 35 Cb -0.08 -0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.68 2kl8 s TYR 35 CO 0.20 -0.08 -0.11 0.95 -2.51 0.00 0.00 175.55 174.00 2kl8 s THR 36 N 0.69 1.04 -0.25 -3.49 -4.23 -0.11 -4.98 115.64 104.31 2kl8 s THR 36 Ca -0.06 -0.43 -0.19 0.00 -1.18 0.00 0.00 61.69 59.83 2kl8 s THR 36 Cb -0.08 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 2kl8 s THR 36 CO -0.02 0.33 0.56 -0.76 -0.54 0.00 0.00 174.62 174.18 2kl8 s LEU 37 N 0.64 4.06 -0.65 4.79 2.01 -1.26 -0.85 118.68 127.43 2kl8 s LEU 37 Ca -0.13 0.60 -0.02 0.00 0.01 0.00 0.00 54.13 54.59 2kl8 s LEU 37 Cb -0.15 -2.73 0.17 0.00 0.01 0.00 0.00 46.19 43.48 2kl8 s LEU 37 CO 0.03 -0.31 0.46 -0.62 1.01 0.00 0.00 176.35 176.92 2kl8 s ASP 38 N 1.49 5.20 1.10 2.29 2.15 -0.05 -5.00 116.67 123.84 2kl8 s ASP 38 Ca 0.23 -3.00 0.00 0.00 0.43 0.00 0.00 52.55 50.21 2kl8 s ASP 38 Cb -0.16 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 2kl8 s ASP 38 CO 0.09 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 2kl8 n GLY 39 N 3.27 0.42 0.86 2.66 0.00 -1.26 -1.04 105.19 110.09 2kl8 n GLY 39 Ca 0.09 0.62 0.07 0.00 0.00 0.00 0.00 46.02 46.81 2kl8 n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kl8 n ASN 40 N 8.40 3.46 -4.15 1.61 4.13 -1.26 -4.92 115.26 122.52 2kl8 n ASN 40 Ca 0.00 -2.32 -0.33 0.00 1.68 0.00 0.00 54.58 53.61 2kl8 n ASN 40 Cb 0.00 -0.37 -0.16 0.00 -1.54 0.00 0.00 39.78 37.71 2kl8 n ASN 40 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kl8 s ASP 41 N -1.23 3.20 -0.48 6.41 2.15 -0.21 -0.65 116.67 125.86 2kl8 s ASP 41 Ca 0.33 -0.62 -0.19 0.00 0.43 0.00 0.00 52.55 52.50 2kl8 s ASP 41 Cb 0.21 -1.48 0.05 0.00 -0.30 0.00 0.00 42.92 41.40 2kl8 s ASP 41 CO 0.16 0.03 0.59 -0.22 -0.17 0.00 0.00 175.17 175.56 2kl8 s LEU 42 N 1.12 4.91 -0.60 -1.34 2.96 0.76 -0.87 118.68 125.62 2kl8 s LEU 42 Ca 0.01 -0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 52.86 2kl8 s LEU 42 Cb -0.14 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 44.13 2kl8 s LEU 42 CO -0.08 -0.82 1.02 -1.61 -1.32 0.00 0.00 176.35 173.54 2kl8 s GLU 43 N 2.54 3.29 -0.34 1.98 2.02 -0.03 -1.61 118.70 126.55 2kl8 s GLU 43 Ca 0.15 -0.31 -0.11 0.00 0.02 0.00 0.00 54.97 54.72 2kl8 s GLU 43 Cb -0.18 -4.10 0.01 0.00 0.10 0.00 0.00 34.13 29.95 2kl8 s GLU 43 CO 0.13 -1.67 0.19 0.42 0.02 0.00 0.00 175.26 174.36 2kl8 s ILE 44 N 4.34 4.72 -0.23 -1.63 1.01 0.20 -0.93 121.20 128.67 2kl8 s ILE 44 Ca 0.31 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2kl8 s ILE 44 Cb -0.12 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2kl8 s ILE 44 CO 0.18 -0.08 0.01 -0.60 0.00 0.00 0.00 174.94 174.44 2kl8 s ARG 45 N 1.61 3.53 -0.30 2.79 3.52 0.11 -0.62 118.95 129.58 2kl8 s ARG 45 Ca 0.04 -0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 55.04 2kl8 s ARG 45 Cb -0.18 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2kl8 s ARG 45 CO 0.07 -0.16 0.05 0.42 -0.81 0.00 0.00 175.30 174.87 2kl8 s ILE 46 N 1.45 3.55 -0.15 4.11 1.01 -0.11 -1.30 121.20 129.77 2kl8 s ILE 46 Ca 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2kl8 s ILE 46 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2kl8 s ILE 46 CO 0.00 -0.02 0.00 -0.89 0.00 0.00 0.00 174.94 174.03 2kl8 s THR 47 N 1.39 4.25 0.00 2.92 2.01 -0.52 -1.23 115.64 124.47 2kl8 s THR 47 Ca -0.01 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.76 2kl8 s THR 47 Cb -0.18 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2kl8 s THR 47 CO 0.01 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 2kl8 n GLY 48 N 3.18 0.70 3.01 4.40 0.00 -1.26 -1.18 105.19 114.04 2kl8 n GLY 48 Ca -0.17 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 2kl8 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl8 s VAL 49 N -2.86 0.71 0.23 1.61 -7.23 -1.22 -3.23 120.40 108.43 2kl8 s VAL 49 Ca 0.00 -0.37 -0.32 0.00 -1.81 0.00 0.00 61.98 59.48 2kl8 s VAL 49 Cb 0.00 -0.61 -0.12 0.00 0.56 0.00 0.00 36.38 36.21 2kl8 s VAL 49 CO 0.00 0.21 1.60 -0.81 -0.31 0.00 0.00 175.10 175.79 2kl8 n PRO 50 N 2.96 2.51 -0.27 4.82 -0.04 -1.26 -4.51 135.00 139.20 2kl8 n PRO 50 Ca -0.15 0.90 0.17 0.00 -0.04 0.00 0.00 63.50 64.38 2kl8 n PRO 50 Cb 0.56 -2.67 0.45 0.00 -0.04 0.00 0.00 33.50 31.80 2kl8 n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2kl8 h GLU 51 N 5.48 0.52 -0.26 0.54 4.11 -2.00 -0.74 114.58 122.22 2kl8 h GLU 51 Ca -0.45 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 58.85 2kl8 h GLU 51 Cb 1.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2kl8 h GLU 51 CO 0.85 0.34 -0.24 -0.56 0.07 0.00 0.00 179.01 179.47 2kl8 h GLN 52 N 0.53 0.50 0.00 1.06 3.07 -2.03 -2.64 115.11 115.61 2kl8 h GLN 52 Ca 0.49 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 59.05 2kl8 h GLN 52 Cb 1.05 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.58 2kl8 h GLN 52 CO -0.23 0.71 0.00 0.28 0.09 0.00 0.00 178.83 179.68 2kl8 h VAL 53 N 0.44 0.00 -0.98 1.86 2.07 -1.51 -3.20 116.25 114.93 2kl8 h VAL 53 Ca 0.07 -0.70 0.23 0.00 0.82 0.00 0.00 66.70 67.11 2kl8 h VAL 53 Cb 0.66 1.68 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 2kl8 h VAL 53 CO 0.05 0.00 0.63 -0.09 0.02 0.00 0.00 177.57 178.18 2kl8 h ARG 54 N 0.00 0.46 -0.61 1.57 2.43 -1.29 0.05 114.38 116.98 2kl8 h ARG 54 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2kl8 h ARG 54 Cb 0.73 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2kl8 h ARG 54 CO 0.00 0.30 0.32 0.87 -1.51 0.00 0.00 179.97 179.95 2kl8 h LYS 55 N 0.47 0.87 -0.48 0.20 1.79 -1.72 0.26 116.57 117.96 2kl8 h LYS 55 Ca 0.54 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.85 2kl8 h LYS 55 Cb 1.26 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 2kl8 h LYS 55 CO -0.26 0.68 0.11 0.93 -1.08 0.00 0.00 179.45 179.83 2kl8 h GLU 56 N 0.84 0.76 -0.66 3.15 4.39 -1.23 0.69 114.58 122.53 2kl8 h GLU 56 Ca 0.21 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2kl8 h GLU 56 Cb 0.07 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2kl8 h GLU 56 CO -0.03 0.75 0.35 -0.07 -1.16 0.00 0.00 179.01 178.85 2kl8 h LEU 57 N 0.65 0.84 -0.24 1.33 3.38 -1.15 -0.06 115.31 120.06 2kl8 h LEU 57 Ca 0.15 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2kl8 h LEU 57 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kl8 h LEU 57 CO 0.00 0.70 -0.08 0.00 0.09 0.00 0.00 178.44 179.15 2kl8 h ALA 58 N 1.17 0.33 -0.18 1.53 0.00 -0.78 -2.31 119.26 119.02 2kl8 h ALA 58 Ca 0.23 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2kl8 h ALA 58 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kl8 h ALA 58 CO -0.04 0.15 -0.21 -0.22 0.00 0.00 0.00 179.25 178.94 2kl8 h LYS 59 N 0.21 0.31 -0.44 0.00 3.64 -0.75 0.35 116.57 119.88 2kl8 h LYS 59 Ca 0.06 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kl8 h LYS 59 Cb 0.57 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2kl8 h LYS 59 CO 0.03 0.51 0.28 1.49 -2.27 0.00 0.00 179.45 179.48 2kl8 h GLU 60 N 0.28 0.59 -0.76 1.90 4.57 -0.94 -1.34 114.58 118.88 2kl8 h GLU 60 Ca 0.05 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2kl8 h GLU 60 Cb 0.53 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 2kl8 h GLU 60 CO 0.04 0.42 0.44 0.00 -1.18 0.00 0.00 179.01 178.72 2kl8 h ALA 61 N 1.14 0.98 -0.58 2.92 0.00 -0.74 0.05 119.26 123.02 2kl8 h ALA 61 Ca 0.16 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2kl8 h ALA 61 Cb -0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.40 2kl8 h ALA 61 CO -0.03 0.47 0.26 0.93 0.00 0.00 0.00 179.25 180.88 2kl8 h GLU 62 N 1.05 0.46 -0.03 0.00 5.08 -0.68 -1.31 114.58 119.16 2kl8 h GLU 62 Ca 0.27 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2kl8 h GLU 62 Cb 0.01 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2kl8 h GLU 62 CO -0.05 0.31 0.01 -0.09 -1.00 0.00 0.00 179.01 178.19 2kl8 h ARG 63 N 0.48 0.06 -0.63 2.33 9.65 -0.74 -2.29 114.38 123.23 2kl8 h ARG 63 Ca 0.27 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.23 2kl8 h ARG 63 Cb 0.26 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.76 2kl8 h ARG 63 CO -0.23 0.29 0.27 -0.07 2.80 0.00 0.00 179.97 183.02 2kl8 h LEU 64 N -0.18 0.31 0.61 3.80 3.38 -0.76 0.16 115.31 122.63 2kl8 h LEU 64 Ca 0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kl8 h LEU 64 Cb 0.26 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kl8 h LEU 64 CO 0.00 0.18 -0.29 0.00 0.09 0.00 0.00 178.44 178.42 2kl8 h ALA 65 N 1.41 -0.82 -0.51 1.53 0.00 -1.22 -3.13 119.26 116.52 2kl8 h ALA 65 Ca 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kl8 h ALA 65 Cb 0.35 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2kl8 h ALA 65 CO -0.28 -0.90 0.23 0.87 0.00 0.00 0.00 179.25 179.17 2kl8 h LYS 66 N -0.93 0.72 -0.51 0.00 1.79 -1.19 0.49 116.57 116.94 2kl8 h LYS 66 Ca -0.08 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2kl8 h LYS 66 Cb 0.66 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 2kl8 h LYS 66 CO 0.14 0.58 0.34 1.49 -1.08 0.00 0.00 179.45 180.91 2kl8 h GLU 67 N 0.72 0.65 -0.02 3.15 4.57 -0.68 -1.37 114.58 121.60 2kl8 h GLU 67 Ca 0.18 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2kl8 h GLU 67 Cb 0.10 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2kl8 h GLU 67 CO -0.02 0.43 0.00 1.19 -1.18 0.00 0.00 179.01 179.43 2kl8 n PHE 68 N -4.46 0.00 -1.70 0.92 3.01 -0.98 -4.97 117.46 109.27 2kl8 n PHE 68 Ca 0.05 -0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 2kl8 n PHE 68 Cb 0.07 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.47 2kl8 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2kl8 n ASN 69 N 0.96 -5.43 -4.61 4.37 3.02 0.15 -4.99 115.26 108.73 2kl8 n ASN 69 Ca 0.10 0.41 -0.26 0.00 -0.03 0.00 0.00 54.58 54.80 2kl8 n ASN 69 Cb 0.43 -4.64 0.12 0.00 -0.61 0.00 0.00 39.78 35.08 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2kl8 s ILE 70 N -2.78 2.16 0.11 2.41 -4.36 -0.01 -4.94 121.20 113.81 2kl8 s ILE 70 Ca 0.00 -0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 59.95 2kl8 s ILE 70 Cb 0.00 -2.82 -0.06 0.00 1.25 0.00 0.00 42.46 40.83 2kl8 s ILE 70 CO 0.00 0.00 0.43 -0.89 0.24 0.00 0.00 174.94 174.72 2kl8 s THR 71 N -3.36 5.06 -0.00 8.37 2.01 -0.45 -4.49 115.64 122.78 2kl8 s THR 71 Ca 0.66 0.43 0.01 0.00 0.31 0.00 0.00 61.69 63.10 2kl8 s THR 71 Cb -0.07 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 2kl8 s THR 71 CO 0.47 0.20 -0.03 0.54 -0.69 0.00 0.00 174.62 175.11 2kl8 s VAL 72 N -1.49 0.24 0.01 3.82 0.11 -1.26 -0.26 120.40 121.57 2kl8 s VAL 72 Ca 0.36 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 2kl8 s VAL 72 Cb -0.13 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2kl8 s VAL 72 CO 0.20 0.07 -0.10 0.42 -3.33 0.00 0.00 175.10 172.35 2kl8 s THR 73 N -0.03 0.82 -0.11 5.04 -4.23 -0.16 -5.01 115.64 111.96 2kl8 s THR 73 Ca 0.01 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2kl8 s THR 73 Cb -0.02 -0.73 0.04 0.00 1.34 0.00 0.00 72.50 73.13 2kl8 s THR 73 CO -0.00 0.06 0.28 -0.72 -0.54 0.00 0.00 174.62 173.70 2kl8 s TYR 74 N -0.57 -0.35 0.05 3.99 1.13 -1.26 -0.39 117.35 119.96 2kl8 s TYR 74 Ca 0.01 0.82 0.09 0.00 -1.41 0.00 0.00 57.07 56.59 2kl8 s TYR 74 Cb -0.06 0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 2kl8 s TYR 74 CO 0.00 -0.21 -0.25 0.95 -2.51 0.00 0.00 175.55 173.53 2kl8 s THR 75 N 0.82 2.04 0.04 -3.49 -4.23 0.57 -5.00 115.64 106.40 2kl8 s THR 75 Ca -0.06 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2kl8 s THR 75 Cb -0.07 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 2kl8 s THR 75 CO -0.05 0.30 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.49 2kl8 s ILE 76 N -0.83 2.60 -0.04 2.99 -1.09 -1.26 -0.80 121.20 122.77 2kl8 s ILE 76 Ca 0.11 -1.24 -0.04 0.00 -2.23 0.00 0.00 60.65 57.25 2kl8 s ILE 76 Cb -0.10 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.72 2kl8 s ILE 76 CO 0.02 0.35 0.12 0.00 -1.23 0.00 0.00 174.94 174.20 2kl8 s ARG 77 N -1.36 0.18 -0.25 2.79 1.70 -1.00 -5.02 118.95 115.98 2kl8 s ARG 77 Ca 0.14 0.08 -0.08 0.00 -0.47 0.00 0.00 55.73 55.40 2kl8 s ARG 77 Cb -0.10 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 2kl8 s ARG 77 CO 0.04 -0.03 0.10 -1.17 -1.08 0.00 0.00 175.30 173.16 2kl8 s LEU 78 N -0.14 3.58 -0.71 -1.89 2.96 -1.26 -1.42 118.68 119.81 2kl8 s LEU 78 Ca -0.02 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.48 2kl8 s LEU 78 Cb -0.02 -1.97 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 2kl8 s LEU 78 CO 0.00 -0.03 2.23 -1.61 -1.32 0.00 0.00 176.35 175.63 2kl8 s GLU 79 N 1.59 2.07 -0.23 1.98 8.01 -1.26 -4.87 118.70 126.00 2kl8 s GLU 79 Ca 0.06 0.58 -0.08 0.00 0.01 0.00 0.00 54.97 55.54 2kl8 s GLU 79 Cb -0.15 -4.74 0.10 0.00 -4.31 0.00 0.00 34.13 25.03 2kl8 s GLU 79 CO 0.05 -3.68 0.48 -1.58 0.01 0.00 0.00 175.26 170.54 2kl8 s HIS 80 N 12.33 -0.95 -0.74 1.61 2.46 -1.26 -4.97 115.29 123.78 2kl8 s HIS 80 Ca 0.85 1.75 -0.27 0.00 0.47 0.00 0.00 55.06 57.86 2kl8 s HIS 80 Cb -0.13 0.44 0.03 0.00 -0.13 0.00 0.00 32.58 32.80 2kl8 s HIS 80 CO 0.13 -0.53 1.31 -1.58 -2.47 0.00 0.00 174.74 171.60 2kl8 s HIS 81 N 2.65 2.26 -0.83 3.88 2.46 -1.26 -4.95 115.29 119.50 2kl8 s HIS 81 Ca -0.03 -0.04 -0.25 0.00 0.47 0.00 0.00 55.06 55.21 2kl8 s HIS 81 Cb -0.12 -4.61 -0.05 0.00 -0.13 0.00 0.00 32.58 27.67 2kl8 s HIS 81 CO -0.15 -2.08 1.97 -1.58 -2.47 0.00 0.00 174.74 170.43 2kl8 s HIS 82 N 5.86 1.72 0.04 3.88 2.46 -1.26 -4.95 115.29 123.05 2kl8 s HIS 82 Ca 0.37 0.76 -0.31 0.00 0.47 0.00 0.00 55.06 56.36 2kl8 s HIS 82 Cb -0.08 -4.01 -0.06 0.00 -0.13 0.00 0.00 32.58 28.31 2kl8 s HIS 82 CO 0.14 -1.85 1.26 -3.38 -2.47 0.00 0.00 174.74 168.44 2kl8 s HIS 83 N 10.24 3.29 0.02 3.88 -3.43 -1.26 -5.02 115.29 123.01 2kl8 s HIS 83 Ca 0.71 1.17 -0.20 0.00 -0.80 0.00 0.00 55.06 55.94 2kl8 s HIS 83 Cb -0.08 -3.50 -0.06 0.00 -1.43 0.00 0.00 32.58 27.51 2kl8 s HIS 83 CO 0.04 -1.62 0.59 -1.58 -2.00 0.00 0.00 174.74 170.17 2kl8 s HIS 84 N 1.43 3.72 -1.80 0.38 2.46 -1.26 -5.34 115.29 114.89 2kl8 s HIS 84 Ca 0.60 1.23 0.14 0.00 0.47 0.00 0.00 55.06 57.50 2kl8 s HIS 84 Cb -0.30 -2.58 0.11 0.00 -0.13 0.00 0.00 32.58 29.69 2kl8 s HIS 84 CO 0.28 0.42 0.96 -2.39 -2.47 0.00 0.00 174.74 171.54