#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 0.67 -0.16 0.03 2.12 -0.54 -0.85 118.70 119.98 2kl8 s GLU 2 Ca 0.00 -0.71 -0.05 0.00 0.36 0.00 0.00 54.97 54.57 2kl8 s GLU 2 Cb 0.00 -0.58 0.08 0.00 0.26 0.00 0.00 34.13 33.89 2kl8 s GLU 2 CO 0.00 0.13 0.32 1.41 -0.54 0.00 0.00 175.26 176.58 2kl8 s MET 3 N -1.28 0.22 -0.26 4.30 -2.45 -0.85 -0.61 119.30 118.37 2kl8 s MET 3 Ca -0.04 0.81 -0.22 0.00 -1.25 0.00 0.00 55.69 55.00 2kl8 s MET 3 Cb -0.08 0.02 -0.01 0.00 1.25 0.00 0.00 34.83 36.00 2kl8 s MET 3 CO 0.01 -0.31 0.71 -0.51 1.05 0.00 0.00 175.02 175.97 2kl8 s ASP 4 N 2.49 6.65 -0.30 1.11 1.11 -0.81 -0.76 116.67 126.16 2kl8 s ASP 4 Ca 0.01 0.77 -0.00 0.00 0.18 0.00 0.00 52.55 53.51 2kl8 s ASP 4 Cb -0.12 -2.37 0.06 0.00 1.07 0.00 0.00 42.92 41.55 2kl8 s ASP 4 CO -0.11 -0.45 -0.01 -0.63 1.18 0.00 0.00 175.17 175.15 2kl8 s ILE 5 N 2.67 2.75 -0.53 0.77 1.01 0.68 -0.12 121.20 128.43 2kl8 s ILE 5 Ca 0.29 -1.58 -0.17 0.00 0.00 0.00 0.00 60.65 59.20 2kl8 s ILE 5 Cb -0.15 -2.65 0.10 0.00 0.01 0.00 0.00 42.46 39.77 2kl8 s ILE 5 CO 0.09 -0.17 0.52 -0.13 0.00 0.00 0.00 174.94 175.24 2kl8 s ARG 6 N 1.18 3.01 0.20 2.79 0.52 0.51 -0.28 118.95 126.87 2kl8 s ARG 6 Ca -0.04 -1.46 -0.21 0.00 -0.52 0.00 0.00 55.73 53.51 2kl8 s ARG 6 Cb -0.20 -4.22 -0.08 0.00 0.52 0.00 0.00 34.95 30.96 2kl8 s ARG 6 CO -0.03 -1.26 0.72 -0.06 0.02 0.00 0.00 175.30 174.68 2kl8 s PHE 7 N 1.90 3.71 -0.07 -0.53 0.08 0.10 -1.19 117.98 121.98 2kl8 s PHE 7 Ca 0.06 1.42 -0.03 0.00 0.12 0.00 0.00 56.93 58.50 2kl8 s PHE 7 Cb -0.26 -2.63 0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2kl8 s PHE 7 CO 0.05 0.40 0.11 0.50 -0.10 0.00 0.00 175.22 176.18 2kl8 s ARG 8 N -1.74 -0.02 0.02 0.44 3.52 0.61 -0.19 118.95 121.60 2kl8 s ARG 8 Ca 0.40 0.41 -0.20 0.00 -0.13 0.00 0.00 55.73 56.21 2kl8 s ARG 8 Cb -0.18 -0.55 0.04 0.00 -1.56 0.00 0.00 34.95 32.70 2kl8 s ARG 8 CO 0.22 -0.36 0.45 0.20 -0.81 0.00 0.00 175.30 175.00 2kl8 s GLY 9 N 2.22 -0.32 0.01 8.12 0.00 -1.03 -1.41 107.32 114.92 2kl8 s GLY 9 Ca 0.04 0.50 0.22 0.00 0.00 0.00 0.00 44.72 45.48 2kl8 s GLY 9 CO -0.05 0.23 0.86 1.22 0.00 0.00 0.00 173.10 175.36 2kl8 n ASP 10 N 0.69 0.59 0.00 1.64 9.92 -1.26 -4.69 116.55 123.44 2kl8 n ASP 10 Ca -0.19 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 2kl8 n ASP 10 Cb 0.59 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.22 2kl8 n ASP 10 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kl8 n ASP 11 N -1.87 0.00 0.00 -2.24 5.75 -1.26 -5.06 116.55 111.87 2kl8 n ASP 11 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2kl8 n ASP 11 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2kl8 n ASP 11 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kl8 n LEU 12 N 0.00 0.00 0.24 -2.12 7.94 -1.26 -4.97 117.00 116.83 2kl8 n LEU 12 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2kl8 n LEU 12 Cb 0.00 0.00 0.55 0.00 0.53 0.00 0.00 43.42 44.50 2kl8 n LEU 12 CO 0.00 0.00 0.96 -0.33 -1.11 0.00 0.00 177.39 176.91 2kl8 h GLU 13 N 0.00 0.00 -1.00 1.96 5.08 -1.99 -2.68 114.58 115.95 2kl8 h GLU 13 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 2kl8 h GLU 13 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 2kl8 h GLU 13 CO 0.00 0.12 0.62 0.00 -1.00 0.00 0.00 179.01 178.75 2kl8 h ALA 14 N 1.88 1.64 0.85 3.43 0.00 -1.97 0.66 119.26 125.75 2kl8 h ALA 14 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kl8 h ALA 14 Cb 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kl8 h ALA 14 CO 0.02 0.04 -0.41 0.35 0.00 0.00 0.00 179.25 179.25 2kl8 h PHE 15 N 0.84 -1.05 0.04 0.00 3.57 -1.87 -2.65 116.94 115.82 2kl8 h PHE 15 Ca 0.54 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.01 2kl8 h PHE 15 Cb 0.74 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2kl8 h PHE 15 CO -0.00 -0.66 -0.02 1.49 -2.23 0.00 0.00 178.31 176.89 2kl8 h GLU 16 N -1.25 -0.06 -0.22 1.11 4.81 -1.52 -1.94 114.58 115.51 2kl8 h GLU 16 Ca -0.12 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2kl8 h GLU 16 Cb 0.87 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2kl8 h GLU 16 CO 0.19 0.11 -0.03 0.87 -0.73 0.00 0.00 179.01 179.42 2kl8 h LYS 17 N -0.21 0.41 -0.29 1.92 1.79 -1.02 -0.81 116.57 118.36 2kl8 h LYS 17 Ca -0.01 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 2kl8 h LYS 17 Cb 0.19 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2kl8 h LYS 17 CO 0.01 0.64 0.09 0.00 -1.08 0.00 0.00 179.45 179.11 2kl8 h ALA 18 N 0.76 0.38 -0.42 3.86 0.00 -1.53 -1.80 119.26 120.51 2kl8 h ALA 18 Ca 0.06 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kl8 h ALA 18 Cb 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2kl8 h ALA 18 CO 0.02 0.01 0.14 1.25 0.00 0.00 0.00 179.25 180.67 2kl8 h LEU 19 N 0.31 0.14 -0.03 0.00 5.85 -1.31 -1.06 115.31 119.20 2kl8 h LEU 19 Ca 0.09 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2kl8 h LEU 19 Cb 0.24 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2kl8 h LEU 19 CO -0.00 0.11 -0.35 0.50 -0.34 0.00 0.00 178.44 178.36 2kl8 h LYS 20 N 0.30 -0.47 -0.57 1.25 1.63 -0.92 -0.93 116.57 116.86 2kl8 h LYS 20 Ca 0.20 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 2kl8 h LYS 20 Cb 0.19 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 2kl8 h LYS 20 CO -0.21 -0.31 0.19 0.93 -3.45 0.00 0.00 179.45 176.59 2kl8 h GLU 21 N -0.49 0.88 -0.43 1.90 4.39 -1.07 -0.81 114.58 118.95 2kl8 h GLU 21 Ca 0.07 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2kl8 h GLU 21 Cb 0.59 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2kl8 h GLU 21 CO -0.31 0.79 0.22 0.52 -1.16 0.00 0.00 179.01 179.08 2kl8 h MET 22 N 0.80 0.61 -0.94 2.33 2.86 -1.06 -0.85 114.93 118.67 2kl8 h MET 22 Ca 0.19 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kl8 h MET 22 Cb 0.27 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2kl8 h MET 22 CO -0.01 0.50 0.60 0.82 1.06 0.00 0.00 176.91 179.89 2kl8 h ILE 23 N 0.56 1.25 -0.84 -1.22 2.04 -1.00 -0.02 117.51 118.27 2kl8 h ILE 23 Ca 0.15 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.59 2kl8 h ILE 23 Cb 0.08 -0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 35.98 2kl8 h ILE 23 CO -0.02 0.25 0.51 -0.09 0.00 0.00 0.00 178.15 178.80 2kl8 h ARG 24 N 1.29 0.88 -0.30 2.37 9.65 -0.56 0.13 114.38 127.85 2kl8 h ARG 24 Ca 0.34 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.06 2kl8 h ARG 24 Cb -0.11 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.26 2kl8 h ARG 24 CO -0.07 0.59 -0.24 1.96 2.80 0.00 0.00 179.97 185.01 2kl8 h GLN 25 N 0.91 0.69 -0.39 0.20 1.08 -0.45 -3.11 115.11 114.04 2kl8 h GLN 25 Ca 0.38 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 2kl8 h GLN 25 Cb 0.23 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2kl8 h GLN 25 CO -0.19 0.95 -0.03 0.00 -0.95 0.00 0.00 178.83 178.61 2kl8 h ALA 26 N 0.73 1.23 0.00 3.87 0.00 -0.58 -2.69 119.26 121.82 2kl8 h ALA 26 Ca 0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2kl8 h ALA 26 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kl8 h ALA 26 CO 0.06 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 2kl8 h ARG 27 N 0.59 0.00 -0.75 0.00 3.08 -0.72 0.47 114.38 117.06 2kl8 h ARG 27 Ca 0.12 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.26 2kl8 h ARG 27 Cb 0.41 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2kl8 h ARG 27 CO 0.02 0.19 0.40 0.87 -1.07 0.00 0.00 179.97 180.38 2kl8 h LYS 28 N 0.00 0.67 -0.01 0.04 1.57 -1.41 -2.59 116.57 114.84 2kl8 h LYS 28 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kl8 h LYS 28 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kl8 h LYS 28 CO 0.03 0.45 -0.55 1.19 -0.57 0.00 0.00 179.45 179.99 2kl8 n PHE 29 N -4.80 0.00 -3.54 -1.35 3.72 -0.79 -4.99 117.46 105.71 2kl8 n PHE 29 Ca 0.11 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.30 2kl8 n PHE 29 Cb 0.25 -0.03 0.08 0.00 -0.94 0.00 0.00 39.48 38.84 2kl8 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl8 n ALA 30 N -0.50 -1.50 -2.11 4.37 0.00 0.16 -5.01 120.51 115.92 2kl8 n ALA 30 Ca 0.08 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 2kl8 n ALA 30 Cb 0.41 -4.63 0.09 0.00 0.00 0.00 0.00 19.45 15.33 2kl8 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl8 n GLY 31 N -1.76 -0.11 3.74 0.00 0.00 -0.82 -5.00 105.19 101.24 2kl8 n GLY 31 Ca -0.07 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 2kl8 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kl8 s THR 32 N -2.18 5.25 -0.11 2.61 2.01 0.23 -4.87 115.64 118.57 2kl8 s THR 32 Ca 0.43 0.68 0.02 0.00 0.31 0.00 0.00 61.69 63.13 2kl8 s THR 32 Cb -0.02 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.82 2kl8 s THR 32 CO 0.29 0.40 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.76 2kl8 s VAL 33 N 0.30 1.59 0.02 3.82 1.01 -1.26 -0.50 120.40 125.38 2kl8 s VAL 33 Ca 0.20 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2kl8 s VAL 33 Cb -0.14 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2kl8 s VAL 33 CO 0.07 0.46 -0.06 0.28 0.00 0.00 0.00 175.10 175.84 2kl8 s THR 34 N 0.94 0.45 -0.04 3.92 -1.32 -0.92 -5.02 115.64 113.65 2kl8 s THR 34 Ca -0.07 -0.62 -0.04 0.00 -1.21 0.00 0.00 61.69 59.75 2kl8 s THR 34 Cb -0.15 -0.45 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 2kl8 s THR 34 CO -0.01 -0.13 0.10 -0.72 -2.21 0.00 0.00 174.62 171.65 2kl8 s TYR 35 N -0.73 -0.10 -0.01 9.09 1.13 -1.26 0.12 117.35 125.59 2kl8 s TYR 35 Ca -0.04 0.24 0.05 0.00 -1.41 0.00 0.00 57.07 55.91 2kl8 s TYR 35 Cb -0.06 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.80 2kl8 s TYR 35 CO 0.00 -0.07 -0.16 0.95 -2.51 0.00 0.00 175.55 173.76 2kl8 s THR 36 N -0.05 2.90 -0.17 -3.49 -4.23 -0.36 -4.95 115.64 105.30 2kl8 s THR 36 Ca -0.01 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 2kl8 s THR 36 Cb -0.01 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 2kl8 s THR 36 CO 0.00 0.50 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.72 2kl8 s LEU 37 N -0.98 2.78 -0.31 4.79 2.01 -1.26 -2.11 118.68 123.60 2kl8 s LEU 37 Ca 0.13 -0.36 -0.02 0.00 0.01 0.00 0.00 54.13 53.89 2kl8 s LEU 37 Cb -0.11 -1.66 0.12 0.00 0.01 0.00 0.00 46.19 44.56 2kl8 s LEU 37 CO 0.02 0.09 0.19 -0.62 1.01 0.00 0.00 176.35 177.04 2kl8 s ASP 38 N 0.82 2.97 0.77 2.29 2.15 -0.34 -5.00 116.67 120.32 2kl8 s ASP 38 Ca -0.03 -1.51 0.00 0.00 0.43 0.00 0.00 52.55 51.44 2kl8 s ASP 38 Cb -0.15 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.28 2kl8 s ASP 38 CO 0.01 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 2kl8 n GLY 39 N 4.83 0.97 0.56 2.66 0.00 -1.26 -1.01 105.19 111.94 2kl8 n GLY 39 Ca 0.01 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.46 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 8.07 2.39 -4.73 1.61 3.02 -1.26 -5.01 115.26 119.34 2kl8 n ASN 40 Ca 0.00 -1.70 -0.37 0.00 -0.03 0.00 0.00 54.58 52.48 2kl8 n ASN 40 Cb 0.00 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2kl8 n ASN 40 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kl8 s ASP 41 N -1.00 6.59 -0.29 6.41 1.11 -0.18 -2.45 116.67 126.85 2kl8 s ASP 41 Ca 0.18 0.69 -0.01 0.00 0.18 0.00 0.00 52.55 53.60 2kl8 s ASP 41 Cb 0.11 -2.24 0.09 0.00 1.07 0.00 0.00 42.92 41.96 2kl8 s ASP 41 CO 0.16 0.06 0.08 -0.22 1.18 0.00 0.00 175.17 176.43 2kl8 s LEU 42 N 0.44 2.20 -0.44 1.23 2.96 0.74 -1.20 118.68 124.61 2kl8 s LEU 42 Ca 0.22 -1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 52.42 2kl8 s LEU 42 Cb -0.14 -0.87 0.03 0.00 0.50 0.00 0.00 46.19 45.71 2kl8 s LEU 42 CO 0.08 -0.39 0.44 -0.70 -1.32 0.00 0.00 176.35 174.45 2kl8 s GLU 43 N 1.62 3.07 -0.41 1.98 2.12 -0.90 0.02 118.70 126.19 2kl8 s GLU 43 Ca 0.08 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.38 2kl8 s GLU 43 Cb -0.17 -4.01 0.04 0.00 0.26 0.00 0.00 34.13 30.25 2kl8 s GLU 43 CO -0.22 -0.91 0.29 0.42 -0.54 0.00 0.00 175.26 174.29 2kl8 s ILE 44 N 2.07 4.95 -0.41 -3.70 1.01 0.61 -1.22 121.20 124.52 2kl8 s ILE 44 Ca 0.10 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 2kl8 s ILE 44 Cb -0.19 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.47 2kl8 s ILE 44 CO 0.12 -0.36 0.58 -0.60 0.00 0.00 0.00 174.94 174.67 2kl8 s ARG 45 N 1.61 3.34 -0.39 2.79 3.52 0.12 -0.23 118.95 129.70 2kl8 s ARG 45 Ca 0.04 -0.38 -0.13 0.00 -0.13 0.00 0.00 55.73 55.13 2kl8 s ARG 45 Cb -0.21 -3.92 0.02 0.00 -1.56 0.00 0.00 34.95 29.29 2kl8 s ARG 45 CO 0.08 -0.89 0.25 0.42 -0.81 0.00 0.00 175.30 174.35 2kl8 s ILE 46 N 2.59 4.96 -0.17 4.11 1.01 0.06 -2.16 121.20 131.59 2kl8 s ILE 46 Ca 0.20 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 2kl8 s ILE 46 Cb -0.15 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2kl8 s ILE 46 CO 0.16 -0.26 0.22 -0.89 0.00 0.00 0.00 174.94 174.18 2kl8 s THR 47 N 1.63 5.35 0.00 2.92 2.01 0.34 -2.00 115.64 125.89 2kl8 s THR 47 Ca 0.04 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2kl8 s THR 47 Cb -0.19 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2kl8 s THR 47 CO 0.09 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2kl8 n GLY 48 N 3.39 1.95 3.77 4.40 0.00 -0.03 -0.60 105.19 118.07 2kl8 n GLY 48 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.12 2.13 0.76 1.61 -7.23 -1.13 -4.37 120.40 110.05 2kl8 s VAL 49 Ca 0.00 0.13 -0.13 0.00 -1.81 0.00 0.00 61.98 60.17 2kl8 s VAL 49 Cb 0.00 -3.08 0.18 0.00 0.56 0.00 0.00 36.38 34.04 2kl8 s VAL 49 CO 0.00 0.03 0.86 -0.81 -0.31 0.00 0.00 175.10 174.87 2kl8 n PRO 50 N 0.97 -1.60 -0.11 4.82 -0.04 -1.26 -0.68 135.00 137.10 2kl8 n PRO 50 Ca 0.03 -1.35 -0.22 0.00 -0.04 0.00 0.00 63.50 61.92 2kl8 n PRO 50 Cb 0.39 -1.04 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2kl8 n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kl8 n GLU 51 N -3.35 0.56 -0.26 0.54 0.28 -1.26 -4.26 120.64 112.89 2kl8 n GLU 51 Ca 0.11 0.56 -0.07 0.00 -0.16 0.00 0.00 57.16 57.60 2kl8 n GLU 51 Cb 0.41 -1.73 0.05 0.00 1.43 0.00 0.00 31.44 31.60 2kl8 n GLU 51 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 2kl8 h GLN 52 N -1.00 1.11 0.00 3.44 3.07 -2.05 -2.31 115.11 117.37 2kl8 h GLN 52 Ca -0.35 -0.24 0.00 0.00 0.09 0.00 0.00 58.65 58.14 2kl8 h GLN 52 Cb 1.29 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.69 2kl8 h GLN 52 CO -0.21 0.96 0.00 0.28 0.09 0.00 0.00 178.83 179.94 2kl8 n VAL 53 N -4.28 0.21 -0.27 1.86 0.31 -1.26 -3.74 118.33 111.16 2kl8 n VAL 53 Ca 0.05 0.05 0.20 0.00 -0.01 0.00 0.00 64.34 64.64 2kl8 n VAL 53 Cb 0.23 -0.71 0.51 0.00 -0.91 0.00 0.00 33.84 32.95 2kl8 n VAL 53 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2kl8 h ARG 54 N 0.00 0.40 0.08 5.55 9.65 -1.59 -1.14 114.38 127.32 2kl8 h ARG 54 Ca 0.00 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2kl8 h ARG 54 Cb 0.11 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 2kl8 h ARG 54 CO 0.00 0.27 -0.22 0.87 2.80 0.00 0.00 179.97 183.69 2kl8 h LYS 55 N 0.41 -0.37 -0.02 0.20 1.79 -1.81 -1.32 116.57 115.44 2kl8 h LYS 55 Ca 0.51 0.03 -0.18 0.00 -2.18 0.00 0.00 60.65 58.82 2kl8 h LYS 55 Cb 1.26 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 2kl8 h LYS 55 CO -0.21 -0.25 -0.78 0.93 -1.08 0.00 0.00 179.45 178.07 2kl8 h GLU 56 N -0.39 0.22 -0.70 3.15 5.08 -1.63 -1.87 114.58 118.44 2kl8 h GLU 56 Ca 0.04 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2kl8 h GLU 56 Cb 0.43 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2kl8 h GLU 56 CO -0.15 0.89 0.40 -0.07 -1.00 0.00 0.00 179.01 179.08 2kl8 h LEU 57 N 0.14 0.59 -0.27 1.33 3.38 -1.02 0.22 115.31 119.68 2kl8 h LEU 57 Ca -0.03 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2kl8 h LEU 57 Cb 1.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2kl8 h LEU 57 CO 0.12 0.38 -0.26 0.00 0.09 0.00 0.00 178.44 178.77 2kl8 h ALA 58 N 1.36 0.40 -0.98 1.53 0.00 -1.21 -3.04 119.26 117.32 2kl8 h ALA 58 Ca 0.31 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2kl8 h ALA 58 Cb 0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2kl8 h ALA 58 CO -0.18 0.39 0.63 -0.22 0.00 0.00 0.00 179.25 179.87 2kl8 h LYS 59 N 0.39 1.06 -0.13 0.00 3.64 -0.75 -0.98 116.57 119.81 2kl8 h LYS 59 Ca 0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2kl8 h LYS 59 Cb 0.82 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2kl8 h LYS 59 CO 0.07 0.70 0.03 1.49 -2.27 0.00 0.00 179.45 179.46 2kl8 h GLU 60 N 1.09 0.20 -0.65 1.90 4.57 -0.58 -0.72 114.58 120.39 2kl8 h GLU 60 Ca 0.44 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.61 2kl8 h GLU 60 Cb 0.27 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 2kl8 h GLU 60 CO -0.19 0.38 0.39 0.00 -1.18 0.00 0.00 179.01 178.41 2kl8 h ALA 61 N 0.82 0.85 -0.75 2.92 0.00 -1.35 -1.10 119.26 120.65 2kl8 h ALA 61 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kl8 h ALA 61 Cb 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2kl8 h ALA 61 CO 0.00 0.13 0.44 0.93 0.00 0.00 0.00 179.25 180.76 2kl8 h GLU 62 N 0.76 1.02 0.14 0.00 5.08 -1.07 -1.82 114.58 118.69 2kl8 h GLU 62 Ca 0.27 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2kl8 h GLU 62 Cb 0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2kl8 h GLU 62 CO -0.12 0.72 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.24 2kl8 h ARG 63 N 1.02 -0.49 -0.63 2.33 2.43 -0.48 -1.46 114.38 117.09 2kl8 h ARG 63 Ca 0.27 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.58 2kl8 h ARG 63 Cb -0.03 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 2kl8 h ARG 63 CO -0.05 -0.33 0.20 -0.07 -1.51 0.00 0.00 179.97 178.21 2kl8 h LEU 64 N -0.51 0.15 -0.59 3.80 3.38 -0.94 0.88 115.31 121.48 2kl8 h LEU 64 Ca 0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2kl8 h LEU 64 Cb 0.53 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2kl8 h LEU 64 CO -0.15 0.08 0.34 0.00 0.09 0.00 0.00 178.44 178.80 2kl8 h ALA 65 N 1.46 0.75 -0.01 1.53 0.00 -1.15 -2.99 119.26 118.85 2kl8 h ALA 65 Ca 0.33 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2kl8 h ALA 65 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kl8 h ALA 65 CO -0.36 0.25 -0.62 0.87 0.00 0.00 0.00 179.25 179.40 2kl8 h LYS 66 N 0.79 0.02 -0.76 0.00 1.79 -0.11 0.18 116.57 118.49 2kl8 h LYS 66 Ca 0.21 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 2kl8 h LYS 66 Cb 0.02 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 2kl8 h LYS 66 CO -0.04 0.63 0.38 0.93 -1.08 0.00 0.00 179.45 180.28 2kl8 h GLU 67 N 0.01 1.07 -0.01 3.15 4.39 -0.74 -2.79 114.58 119.67 2kl8 h GLU 67 Ca -0.01 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2kl8 h GLU 67 Cb 1.09 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2kl8 h GLU 67 CO 0.08 0.81 -0.56 1.19 -1.16 0.00 0.00 179.01 179.37 2kl8 n PHE 68 N -4.33 0.00 -3.39 4.33 3.72 -1.18 -5.00 117.46 111.60 2kl8 n PHE 68 Ca 0.07 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.27 2kl8 n PHE 68 Cb 0.12 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 2kl8 n PHE 68 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kl8 n ASN 69 N -0.34 -6.23 -3.42 4.37 4.05 0.39 -5.04 115.26 109.04 2kl8 n ASN 69 Ca 0.08 -0.81 -0.19 0.00 0.45 0.00 0.00 54.58 54.10 2kl8 n ASN 69 Cb 0.42 -4.61 -0.05 0.00 1.23 0.00 0.00 39.78 36.78 2kl8 n ASN 69 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2kl8 n ILE 70 N -3.54 0.00 -3.82 -1.44 -5.35 0.21 -5.01 119.36 100.40 2kl8 n ILE 70 Ca -0.08 -1.59 -0.36 0.00 -0.27 0.00 0.00 62.75 60.45 2kl8 n ILE 70 Cb 0.61 0.45 -0.06 0.00 -1.74 0.00 0.00 39.64 38.90 2kl8 n ILE 70 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2kl8 s THR 71 N -2.40 5.42 -0.05 7.28 2.01 -0.50 -4.70 115.64 122.71 2kl8 s THR 71 Ca 0.07 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2kl8 s THR 71 Cb 0.00 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 69.07 2kl8 s THR 71 CO 0.05 0.54 0.10 0.54 -0.69 0.00 0.00 174.62 175.16 2kl8 s VAL 72 N -1.11 -0.06 -0.09 3.82 0.11 -1.26 -0.29 120.40 121.52 2kl8 s VAL 72 Ca 0.19 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 2kl8 s VAL 72 Cb -0.13 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2kl8 s VAL 72 CO 0.09 0.09 -0.08 0.42 -3.33 0.00 0.00 175.10 172.28 2kl8 s THR 73 N 1.22 1.00 -0.04 5.04 -4.23 -0.33 -4.98 115.64 113.32 2kl8 s THR 73 Ca -0.08 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.17 2kl8 s THR 73 Cb -0.12 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 2kl8 s THR 73 CO -0.05 0.35 -0.18 -0.72 -0.54 0.00 0.00 174.62 173.48 2kl8 s TYR 74 N 1.39 1.74 -0.24 3.99 1.13 -1.26 -0.36 117.35 123.74 2kl8 s TYR 74 Ca -0.01 -0.45 -0.08 0.00 -1.41 0.00 0.00 57.07 55.11 2kl8 s TYR 74 Cb -0.14 -1.16 -0.04 0.00 -1.10 0.00 0.00 41.96 39.53 2kl8 s TYR 74 CO -0.04 -0.13 0.10 0.99 -2.51 0.00 0.00 175.55 173.96 2kl8 s THR 75 N -0.11 4.76 -0.36 -3.49 2.01 0.83 -4.97 115.64 114.30 2kl8 s THR 75 Ca -0.01 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 2kl8 s THR 75 Cb -0.10 -3.21 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 2kl8 s THR 75 CO 0.01 0.35 0.50 -0.63 -0.69 0.00 0.00 174.62 174.16 2kl8 s ILE 76 N 1.26 5.03 -0.36 1.82 -1.09 -1.26 -1.93 121.20 124.66 2kl8 s ILE 76 Ca 0.06 0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 58.59 2kl8 s ILE 76 Cb -0.14 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.78 2kl8 s ILE 76 CO 0.05 -0.25 0.20 -0.13 -1.23 0.00 0.00 174.94 173.57 2kl8 s ARG 77 N 2.36 2.91 -0.03 2.79 0.52 0.22 -5.03 118.95 122.68 2kl8 s ARG 77 Ca 0.18 -1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.20 2kl8 s ARG 77 Cb -0.16 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 2kl8 s ARG 77 CO 0.14 -0.65 0.46 -0.48 0.02 0.00 0.00 175.30 174.78 2kl8 s LEU 78 N 1.56 4.42 -0.02 2.53 2.34 -1.26 -1.46 118.68 126.78 2kl8 s LEU 78 Ca 0.02 0.96 -0.30 0.00 0.06 0.00 0.00 54.13 54.88 2kl8 s LEU 78 Cb -0.19 -2.67 -0.07 0.00 -0.56 0.00 0.00 46.19 42.70 2kl8 s LEU 78 CO 0.07 0.21 1.74 -0.70 -1.06 0.00 0.00 176.35 176.60 2kl8 s GLU 79 N -0.50 4.17 -0.10 1.48 2.12 -1.26 -4.91 118.70 119.70 2kl8 s GLU 79 Ca 0.25 2.31 -0.29 0.00 0.36 0.00 0.00 54.97 57.60 2kl8 s GLU 79 Cb -0.17 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 2kl8 s GLU 79 CO 0.13 -0.87 1.45 -1.01 -0.54 0.00 0.00 175.26 174.43 2kl8 s HIS 80 N 4.08 2.44 -0.05 5.30 3.76 -1.26 -5.01 115.29 124.56 2kl8 s HIS 80 Ca 0.77 0.61 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 2kl8 s HIS 80 Cb -0.36 -3.71 0.03 0.00 1.11 0.00 0.00 32.58 29.65 2kl8 s HIS 80 CO 0.33 -2.75 -0.02 -1.01 -0.85 0.00 0.00 174.74 170.44 2kl8 s HIS 81 N 3.68 0.57 -0.74 1.40 3.76 -1.26 -5.10 115.29 117.60 2kl8 s HIS 81 Ca 0.64 -0.12 -0.26 0.00 -0.15 0.00 0.00 55.06 55.18 2kl8 s HIS 81 Cb -0.28 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.78 2kl8 s HIS 81 CO 0.22 -0.20 1.86 -1.58 -0.85 0.00 0.00 174.74 174.19 2kl8 s HIS 82 N 1.23 1.76 1.05 1.40 2.46 -1.26 -4.98 115.29 116.95 2kl8 s HIS 82 Ca -0.07 0.65 -0.15 0.00 0.47 0.00 0.00 55.06 55.97 2kl8 s HIS 82 Cb -0.14 -4.11 0.21 0.00 -0.13 0.00 0.00 32.58 28.42 2kl8 s HIS 82 CO -0.02 -2.08 1.12 -1.01 -2.47 0.00 0.00 174.74 170.29 2kl8 s HIS 83 N 9.23 1.62 -1.57 3.88 3.76 -1.26 -4.09 115.29 126.86 2kl8 s HIS 83 Ca 0.67 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 2kl8 s HIS 83 Cb -0.10 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.17 2kl8 s HIS 83 CO 0.11 -3.11 0.00 1.58 -0.85 0.00 0.00 174.74 172.47 2kl8 n HIS 84 N -4.27 -0.81 1.62 1.40 -0.00 -1.26 -5.33 115.22 106.57 2kl8 n HIS 84 Ca 0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.95 2kl8 n HIS 84 Cb 0.59 -3.56 0.63 0.00 -0.00 0.00 0.00 29.99 27.65 2kl8 n HIS 84 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95