#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 2.23 -0.25 2.12 2.02 -1.24 -2.56 118.70 121.03 2kl8 s GLU 2 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2kl8 s GLU 2 Cb 0.00 -2.15 0.07 0.00 0.10 0.00 0.00 34.13 32.15 2kl8 s GLU 2 CO 0.00 -1.23 -0.00 1.41 0.02 0.00 0.00 175.26 175.45 2kl8 s MET 3 N -5.26 1.31 -0.16 1.61 -2.45 -0.09 -3.34 119.30 110.93 2kl8 s MET 3 Ca 0.60 -1.02 -0.17 0.00 -1.25 0.00 0.00 55.69 53.85 2kl8 s MET 3 Cb -0.11 -2.48 -0.04 0.00 1.25 0.00 0.00 34.83 33.45 2kl8 s MET 3 CO 0.45 -0.71 0.42 -0.51 1.05 0.00 0.00 175.02 175.73 2kl8 s ASP 4 N 1.45 6.56 0.02 1.11 1.11 -0.38 -1.44 116.67 125.09 2kl8 s ASP 4 Ca -0.01 0.66 0.02 0.00 0.18 0.00 0.00 52.55 53.40 2kl8 s ASP 4 Cb -0.18 -2.25 -0.02 0.00 1.07 0.00 0.00 42.92 41.54 2kl8 s ASP 4 CO -0.10 -0.02 -0.06 -0.63 1.18 0.00 0.00 175.17 175.54 2kl8 s ILE 5 N 0.86 0.43 -0.20 0.77 1.01 0.48 -0.62 121.20 123.93 2kl8 s ILE 5 Ca 0.22 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2kl8 s ILE 5 Cb -0.15 -0.46 0.06 0.00 0.01 0.00 0.00 42.46 41.92 2kl8 s ILE 5 CO 0.08 -0.21 0.00 -0.13 0.00 0.00 0.00 174.94 174.68 2kl8 s ARG 6 N -1.02 0.98 -0.07 2.79 0.52 -0.64 -0.10 118.95 121.40 2kl8 s ARG 6 Ca -0.06 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.36 2kl8 s ARG 6 Cb -0.07 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 2kl8 s ARG 6 CO 0.00 -0.61 0.56 -0.06 0.02 0.00 0.00 175.30 175.21 2kl8 s PHE 7 N 1.71 3.59 -0.04 -0.53 0.40 0.02 -1.63 117.98 121.50 2kl8 s PHE 7 Ca -0.02 1.07 0.01 0.00 -0.60 0.00 0.00 56.93 57.39 2kl8 s PHE 7 Cb -0.17 -2.62 0.02 0.00 0.51 0.00 0.00 43.02 40.76 2kl8 s PHE 7 CO -0.07 0.23 -0.03 0.50 0.70 0.00 0.00 175.22 176.54 2kl8 s ARG 8 N 0.35 0.68 0.00 0.44 3.52 0.29 -0.33 118.95 123.90 2kl8 s ARG 8 Ca 0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2kl8 s ARG 8 Cb -0.17 -0.75 0.00 0.00 -1.56 0.00 0.00 34.95 32.47 2kl8 s ARG 8 CO 0.14 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2kl8 n GLY 9 N 4.13 2.75 0.55 8.12 0.00 -1.14 -0.05 105.19 119.55 2kl8 n GLY 9 Ca -0.24 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.16 2kl8 n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl8 n ASP 10 N 0.00 3.00 -3.89 1.61 8.00 -1.26 -4.88 116.55 119.13 2kl8 n ASP 10 Ca 0.00 -2.41 -0.11 0.00 0.71 0.00 0.00 54.79 52.98 2kl8 n ASP 10 Cb 0.00 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 2kl8 n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kl8 s ASP 11 N -1.46 0.07 -0.08 -2.24 2.15 -1.26 -5.08 116.67 108.76 2kl8 s ASP 11 Ca 0.26 -0.28 -0.11 0.00 0.43 0.00 0.00 52.55 52.86 2kl8 s ASP 11 Cb 0.18 0.19 -0.08 0.00 -0.30 0.00 0.00 42.92 42.91 2kl8 s ASP 11 CO 0.10 -0.37 0.38 0.25 -0.17 0.00 0.00 175.17 175.36 2kl8 h LEU 12 N 4.29 -0.14 -1.95 -1.34 5.85 -1.95 -3.35 115.31 116.72 2kl8 h LEU 12 Ca -0.31 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2kl8 h LEU 12 Cb 1.20 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2kl8 h LEU 12 CO 0.41 0.42 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.50 2kl8 h GLU 13 N -1.01 0.00 -0.75 1.25 5.08 -1.99 -1.61 114.58 115.55 2kl8 h GLU 13 Ca -0.02 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2kl8 h GLU 13 Cb 0.31 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 2kl8 h GLU 13 CO 0.03 0.10 0.37 0.00 -1.00 0.00 0.00 179.01 178.51 2kl8 h ALA 14 N 1.90 1.07 -0.64 3.43 0.00 -2.00 0.31 119.26 123.32 2kl8 h ALA 14 Ca -0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2kl8 h ALA 14 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kl8 h ALA 14 CO 0.01 -0.08 0.20 0.74 0.00 0.00 0.00 179.25 180.12 2kl8 h PHE 15 N 0.59 1.03 -0.16 0.00 0.04 -1.42 -2.77 116.94 114.24 2kl8 h PHE 15 Ca 0.39 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.96 2kl8 h PHE 15 Cb 0.47 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2kl8 h PHE 15 CO -0.11 0.84 -0.31 1.49 -0.60 0.00 0.00 178.31 179.61 2kl8 h GLU 16 N 0.92 0.33 0.22 1.51 4.22 -1.05 0.32 114.58 121.04 2kl8 h GLU 16 Ca 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 2kl8 h GLU 16 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kl8 h GLU 16 CO -0.01 0.61 -0.11 0.87 -2.18 0.00 0.00 179.01 178.20 2kl8 h LYS 17 N 0.28 -0.29 -0.37 1.92 1.79 -0.33 0.90 116.57 120.47 2kl8 h LYS 17 Ca 0.04 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2kl8 h LYS 17 Cb 0.70 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 2kl8 h LYS 17 CO 0.05 -0.03 0.21 0.00 -1.08 0.00 0.00 179.45 178.60 2kl8 h ALA 18 N 0.21 0.46 -0.44 3.86 0.00 -1.39 -1.82 119.26 120.14 2kl8 h ALA 18 Ca -0.03 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kl8 h ALA 18 Cb 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2kl8 h ALA 18 CO 0.05 -0.14 0.14 1.25 0.00 0.00 0.00 179.25 180.54 2kl8 h LEU 19 N 0.42 0.12 -0.60 0.00 5.85 -0.89 -1.21 115.31 118.99 2kl8 h LEU 19 Ca 0.15 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2kl8 h LEU 19 Cb 0.02 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2kl8 h LEU 19 CO -0.08 0.10 0.38 0.50 -0.34 0.00 0.00 178.44 179.00 2kl8 h LYS 20 N 0.30 0.80 -0.57 1.25 1.63 -0.41 0.11 116.57 119.68 2kl8 h LYS 20 Ca 0.21 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2kl8 h LYS 20 Cb 0.22 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2kl8 h LYS 20 CO -0.23 0.56 0.21 0.93 -3.45 0.00 0.00 179.45 177.47 2kl8 h GLU 21 N 0.81 0.87 -0.49 1.90 4.39 -1.10 0.36 114.58 121.32 2kl8 h GLU 21 Ca 0.22 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2kl8 h GLU 21 Cb -0.05 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2kl8 h GLU 21 CO -0.04 0.76 0.24 0.52 -1.16 0.00 0.00 179.01 179.32 2kl8 h MET 22 N 0.79 0.70 -0.30 2.33 2.86 -0.77 -1.72 114.93 118.82 2kl8 h MET 22 Ca 0.19 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2kl8 h MET 22 Cb 0.23 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2kl8 h MET 22 CO -0.01 0.58 0.08 0.82 1.06 0.00 0.00 176.91 179.44 2kl8 h ILE 23 N 0.64 1.22 -0.72 -1.22 2.04 -0.87 0.20 117.51 118.80 2kl8 h ILE 23 Ca 0.17 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.41 2kl8 h ILE 23 Cb 0.11 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2kl8 h ILE 23 CO -0.02 0.24 0.35 -0.09 0.00 0.00 0.00 178.15 178.63 2kl8 h ARG 24 N 0.32 0.57 -0.11 2.37 2.43 -0.75 -0.83 114.38 118.39 2kl8 h ARG 24 Ca 0.09 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.00 2kl8 h ARG 24 Cb 0.29 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2kl8 h ARG 24 CO 0.00 0.38 -0.85 1.96 -1.51 0.00 0.00 179.97 179.95 2kl8 h GLN 25 N 0.59 0.77 -0.02 0.20 4.20 -1.24 -3.29 115.11 116.31 2kl8 h GLN 25 Ca 0.36 -0.67 0.01 0.00 0.06 0.00 0.00 58.65 58.40 2kl8 h GLN 25 Cb 0.40 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2kl8 h GLN 25 CO -0.28 1.27 0.02 0.00 -0.67 0.00 0.00 178.83 179.17 2kl8 h ALA 26 N 0.52 1.99 -0.27 3.87 0.00 0.36 -1.69 119.26 124.04 2kl8 h ALA 26 Ca -0.07 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2kl8 h ALA 26 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2kl8 h ALA 26 CO 0.17 -0.03 0.22 0.00 0.00 0.00 0.00 179.25 179.61 2kl8 h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.26 -0.82 114.38 115.38 2kl8 h ARG 27 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2kl8 h ARG 27 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2kl8 h ARG 27 CO -0.00 0.00 -0.22 0.87 -1.07 0.00 0.00 179.97 179.55 2kl8 h LYS 28 N 0.00 0.00 -6.12 0.04 1.79 -1.51 -3.44 116.57 107.33 2kl8 h LYS 28 Ca 0.13 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.01 2kl8 h LYS 28 Cb 0.56 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 2kl8 h LYS 28 CO -0.00 0.22 -0.18 -0.06 -1.08 0.00 0.00 179.45 178.34 2kl8 s PHE 29 N -4.19 3.65 -1.33 -1.35 0.08 -0.32 -5.00 117.98 109.52 2kl8 s PHE 29 Ca -0.03 0.95 -0.17 0.00 0.12 0.00 0.00 56.93 57.80 2kl8 s PHE 29 Cb 0.14 -2.27 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 2kl8 s PHE 29 CO 0.65 0.55 1.86 0.00 -0.10 0.00 0.00 175.22 178.18 2kl8 n ALA 30 N 1.27 3.99 -3.00 5.36 0.00 -1.26 -4.84 120.51 122.02 2kl8 n ALA 30 Ca -0.10 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2kl8 n ALA 30 Cb 0.52 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.38 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 5.09 3.75 3.12 0.00 0.00 -1.26 -4.90 105.19 110.99 2kl8 n GLY 31 Ca 0.50 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.64 1.17 -0.12 2.61 2.01 -0.47 -4.99 115.64 114.20 2kl8 s THR 32 Ca 0.00 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.37 2kl8 s THR 32 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2kl8 s THR 32 CO 0.00 0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.43 2kl8 s VAL 33 N -0.32 2.96 0.03 3.82 1.01 -1.26 -0.09 120.40 126.55 2kl8 s VAL 33 Ca 0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2kl8 s VAL 33 Cb -0.06 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2kl8 s VAL 33 CO -0.00 0.53 0.15 0.28 0.00 0.00 0.00 175.10 176.05 2kl8 s THR 34 N 0.31 0.12 0.16 3.92 -1.32 -0.93 -5.03 115.64 112.87 2kl8 s THR 34 Ca -0.11 -0.95 -0.19 0.00 -1.21 0.00 0.00 61.69 59.23 2kl8 s THR 34 Cb -0.16 -0.85 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2kl8 s THR 34 CO 0.06 -0.52 0.51 -0.72 -2.21 0.00 0.00 174.62 171.73 2kl8 s TYR 35 N -2.44 -0.28 0.00 9.09 1.13 -1.26 -0.85 117.35 122.74 2kl8 s TYR 35 Ca -0.06 -0.02 0.01 0.00 -1.41 0.00 0.00 57.07 55.59 2kl8 s TYR 35 Cb -0.02 0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 41.24 2kl8 s TYR 35 CO -0.03 -0.83 -0.04 -0.08 -2.51 0.00 0.00 175.55 172.06 2kl8 s THR 36 N -3.81 0.29 -0.11 -3.49 -1.32 0.18 -5.01 115.64 102.37 2kl8 s THR 36 Ca 0.05 -0.31 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 2kl8 s THR 36 Cb -0.00 -0.28 0.01 0.00 -1.51 0.00 0.00 72.50 70.71 2kl8 s THR 36 CO -0.09 -0.02 -0.21 -0.22 -2.21 0.00 0.00 174.62 171.87 2kl8 s LEU 37 N -0.36 2.01 -0.53 9.08 2.96 -1.26 -1.03 118.68 129.55 2kl8 s LEU 37 Ca -0.01 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2kl8 s LEU 37 Cb -0.03 -1.33 0.15 0.00 0.50 0.00 0.00 46.19 45.49 2kl8 s LEU 37 CO -0.00 0.11 0.35 -0.62 -1.32 0.00 0.00 176.35 174.87 2kl8 s ASP 38 N 0.55 3.65 0.95 3.68 2.15 -0.71 -5.04 116.67 121.89 2kl8 s ASP 38 Ca -0.14 -3.16 0.00 0.00 0.43 0.00 0.00 52.55 49.67 2kl8 s ASP 38 Cb -0.17 -1.17 0.00 0.00 -0.30 0.00 0.00 42.92 41.28 2kl8 s ASP 38 CO 0.05 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2kl8 n GLY 39 N 2.83 0.65 1.10 2.66 0.00 -1.26 -2.75 105.19 108.43 2kl8 n GLY 39 Ca 0.16 0.51 0.08 0.00 0.00 0.00 0.00 46.02 46.78 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 8.23 3.21 -3.76 1.61 3.02 -1.26 -4.85 115.26 121.45 2kl8 n ASN 40 Ca 0.00 -2.10 -0.13 0.00 -0.03 0.00 0.00 54.58 52.32 2kl8 n ASN 40 Cb 0.00 -0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 38.63 2kl8 n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kl8 s ASP 41 N -0.94 -0.19 -0.19 6.41 2.15 -1.11 -2.89 116.67 119.92 2kl8 s ASP 41 Ca 0.38 0.40 0.01 0.00 0.43 0.00 0.00 52.55 53.76 2kl8 s ASP 41 Cb 0.21 0.32 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 2kl8 s ASP 41 CO 0.23 -0.13 -0.15 -0.22 -0.17 0.00 0.00 175.17 174.74 2kl8 s LEU 42 N 0.84 2.21 -0.29 -1.34 2.96 0.55 -1.75 118.68 121.87 2kl8 s LEU 42 Ca -0.06 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 52.93 2kl8 s LEU 42 Cb -0.08 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 2kl8 s LEU 42 CO -0.05 -0.08 0.43 -0.70 -1.32 0.00 0.00 176.35 174.64 2kl8 s GLU 43 N 1.35 3.91 -0.13 1.98 2.12 -0.20 -0.80 118.70 126.93 2kl8 s GLU 43 Ca 0.02 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.40 2kl8 s GLU 43 Cb -0.15 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.55 2kl8 s GLU 43 CO -0.10 -0.39 -0.20 0.42 -0.54 0.00 0.00 175.26 174.45 2kl8 s ILE 44 N 2.19 2.29 -0.14 -3.70 1.01 0.86 -0.65 121.20 123.06 2kl8 s ILE 44 Ca 0.17 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2kl8 s ILE 44 Cb -0.16 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2kl8 s ILE 44 CO 0.11 0.54 -0.14 -0.60 0.00 0.00 0.00 174.94 174.85 2kl8 s ARG 45 N 0.67 2.20 -0.28 2.79 3.52 -0.03 -0.39 118.95 127.42 2kl8 s ARG 45 Ca -0.10 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 2kl8 s ARG 45 Cb -0.16 -2.01 -0.05 0.00 -1.56 0.00 0.00 34.95 31.17 2kl8 s ARG 45 CO 0.02 -0.20 0.19 0.42 -0.81 0.00 0.00 175.30 174.91 2kl8 s ILE 46 N 1.41 5.24 -0.39 4.11 1.01 -0.52 -2.18 121.20 129.87 2kl8 s ILE 46 Ca 0.03 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 2kl8 s ILE 46 Cb -0.13 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2kl8 s ILE 46 CO -0.09 0.23 0.59 -0.89 0.00 0.00 0.00 174.94 174.79 2kl8 s THR 47 N 1.75 4.91 0.00 2.92 2.01 0.87 -0.91 115.64 127.18 2kl8 s THR 47 Ca 0.07 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2kl8 s THR 47 Cb -0.16 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2kl8 s THR 47 CO 0.10 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 2kl8 n GLY 48 N 4.88 0.82 3.08 4.40 0.00 -1.25 -1.37 105.19 115.75 2kl8 n GLY 48 Ca -0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.95 1.39 0.57 1.61 -7.23 -1.06 -4.58 120.40 109.15 2kl8 s VAL 49 Ca 0.00 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 2kl8 s VAL 49 Cb 0.00 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 2kl8 s VAL 49 CO 0.00 0.41 1.02 -2.16 -0.31 0.00 0.00 175.10 174.06 2kl8 s PRO 50 N 0.54 3.61 0.15 4.82 0.04 -1.26 -4.62 135.00 138.28 2kl8 s PRO 50 Ca -0.15 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 2kl8 s PRO 50 Cb -0.16 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2kl8 s PRO 50 CO 0.05 -0.56 1.59 1.05 0.04 0.00 0.00 177.00 179.17 2kl8 h GLU 51 N 0.52 0.89 -0.05 4.56 4.11 -2.00 -2.72 114.58 119.89 2kl8 h GLU 51 Ca -0.46 -0.31 0.01 0.00 0.07 0.00 0.00 59.36 58.68 2kl8 h GLU 51 Cb 1.20 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kl8 h GLU 51 CO 0.60 0.95 0.05 -0.56 0.07 0.00 0.00 179.01 180.11 2kl8 h GLN 52 N 0.75 0.00 -0.01 1.06 3.07 -2.05 -0.71 115.11 117.21 2kl8 h GLN 52 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 2kl8 h GLN 52 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2kl8 h GLN 52 CO 0.03 0.00 -0.49 0.28 0.09 0.00 0.00 178.83 178.74 2kl8 n VAL 53 N -4.03 0.00 -0.34 1.86 0.31 -1.13 -4.37 118.33 110.64 2kl8 n VAL 53 Ca -0.02 -0.21 0.09 0.00 -0.01 0.00 0.00 64.34 64.19 2kl8 n VAL 53 Cb 0.15 1.09 0.26 0.00 -0.91 0.00 0.00 33.84 34.42 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 2.00 0.81 -0.41 5.55 9.65 -0.81 -1.28 114.38 129.89 2kl8 h ARG 54 Ca 0.00 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 58.92 2kl8 h ARG 54 Cb 0.69 -0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.01 2kl8 h ARG 54 CO 0.00 0.54 -0.15 0.87 2.80 0.00 0.00 179.97 184.03 2kl8 h LYS 55 N 0.83 -0.06 0.29 0.20 1.57 -1.76 -0.42 116.57 117.22 2kl8 h LYS 55 Ca 0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.28 2kl8 h LYS 55 Cb 0.65 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2kl8 h LYS 55 CO -0.32 -0.04 -0.14 0.93 -0.57 0.00 0.00 179.45 179.31 2kl8 h GLU 56 N -0.06 -0.37 -0.41 3.15 4.39 -1.56 -2.04 114.58 117.69 2kl8 h GLU 56 Ca 0.20 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.97 2kl8 h GLU 56 Cb 0.36 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2kl8 h GLU 56 CO -0.45 -0.06 0.17 -0.07 -1.16 0.00 0.00 179.01 177.44 2kl8 h LEU 57 N -0.72 0.22 -1.09 1.33 3.38 -1.30 0.95 115.31 118.07 2kl8 h LEU 57 Ca -0.04 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2kl8 h LEU 57 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kl8 h LEU 57 CO 0.07 0.16 -0.18 0.00 0.09 0.00 0.00 178.44 178.58 2kl8 h ALA 58 N 1.25 1.24 0.01 1.53 0.00 -1.12 -2.70 119.26 119.46 2kl8 h ALA 58 Ca 0.18 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 2kl8 h ALA 58 Cb 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kl8 h ALA 58 CO -0.16 0.49 -0.98 -0.22 0.00 0.00 0.00 179.25 178.38 2kl8 h LYS 59 N 0.39 0.45 -0.36 0.00 3.64 -0.73 -3.08 116.57 116.88 2kl8 h LYS 59 Ca 0.07 -0.50 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2kl8 h LYS 59 Cb 0.54 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2kl8 h LYS 59 CO 0.03 1.15 0.13 1.49 -2.27 0.00 0.00 179.45 179.98 2kl8 h GLU 60 N 0.25 0.55 -0.52 1.90 4.57 -0.69 -2.59 114.58 118.04 2kl8 h GLU 60 Ca -0.09 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2kl8 h GLU 60 Cb 1.63 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.11 2kl8 h GLU 60 CO 0.17 0.55 0.32 0.00 -1.18 0.00 0.00 179.01 178.88 2kl8 h ALA 61 N 0.97 1.59 -0.29 2.92 0.00 -1.56 -0.61 119.26 122.28 2kl8 h ALA 61 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2kl8 h ALA 61 Cb 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2kl8 h ALA 61 CO -0.01 0.37 -0.01 0.93 0.00 0.00 0.00 179.25 180.53 2kl8 h GLU 62 N 0.71 0.07 0.07 0.00 4.39 -1.39 -1.70 114.58 116.73 2kl8 h GLU 62 Ca 0.19 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.90 2kl8 h GLU 62 Cb -0.05 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2kl8 h GLU 62 CO -0.04 0.05 -0.20 -0.09 -1.16 0.00 0.00 179.01 177.57 2kl8 h ARG 63 N 0.07 -0.34 -0.70 2.33 2.43 -0.88 -1.86 114.38 115.43 2kl8 h ARG 63 Ca 0.14 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.49 2kl8 h ARG 63 Cb 0.19 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 2kl8 h ARG 63 CO -0.25 -0.23 0.09 -0.07 -1.51 0.00 0.00 179.97 178.01 2kl8 h LEU 64 N -0.35 -0.14 -0.43 3.80 3.38 -0.84 0.20 115.31 120.93 2kl8 h LEU 64 Ca 0.04 0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2kl8 h LEU 64 Cb 0.40 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2kl8 h LEU 64 CO -0.14 -0.09 0.02 0.00 0.09 0.00 0.00 178.44 178.32 2kl8 h ALA 65 N 1.61 0.58 -0.12 1.53 0.00 -1.12 -3.26 119.26 118.49 2kl8 h ALA 65 Ca 0.39 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2kl8 h ALA 65 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kl8 h ALA 65 CO -0.54 0.35 -0.64 0.87 0.00 0.00 0.00 179.25 179.28 2kl8 h LYS 66 N 0.59 0.43 -0.91 0.00 1.79 -0.30 0.24 116.57 118.42 2kl8 h LYS 66 Ca 0.12 -0.31 0.12 0.00 -2.18 0.00 0.00 60.65 58.40 2kl8 h LYS 66 Cb 0.46 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.08 2kl8 h LYS 66 CO 0.02 0.93 0.53 0.93 -1.08 0.00 0.00 179.45 180.78 2kl8 h GLU 67 N 0.32 0.81 -0.11 3.15 4.39 -0.70 -1.47 114.58 120.97 2kl8 h GLU 67 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kl8 h GLU 67 Cb 1.19 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2kl8 h GLU 67 CO 0.11 0.54 0.00 1.19 -1.16 0.00 0.00 179.01 179.69 2kl8 n PHE 68 N -4.72 0.12 -3.83 4.33 3.72 -1.19 -4.98 117.46 110.91 2kl8 n PHE 68 Ca 0.17 -0.07 -0.28 0.00 -0.05 0.00 0.00 57.45 57.22 2kl8 n PHE 68 Cb 0.35 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 2kl8 n PHE 68 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kl8 n ASN 69 N 1.15 -4.18 -4.93 4.37 4.13 0.35 -4.99 115.26 111.16 2kl8 n ASN 69 Ca 0.13 -0.76 -0.19 0.00 1.68 0.00 0.00 54.58 55.44 2kl8 n ASN 69 Cb 0.51 -4.06 -0.01 0.00 -1.54 0.00 0.00 39.78 34.67 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2kl8 s ILE 70 N -3.38 2.95 0.27 2.41 -4.36 0.56 -4.99 121.20 114.66 2kl8 s ILE 70 Ca 0.51 -1.19 -0.14 0.00 -0.26 0.00 0.00 60.65 59.57 2kl8 s ILE 70 Cb -0.25 -3.04 -0.08 0.00 1.25 0.00 0.00 42.46 40.34 2kl8 s ILE 70 CO 0.81 -0.02 0.66 -0.89 0.24 0.00 0.00 174.94 175.74 2kl8 s THR 71 N -2.39 4.76 -0.12 8.37 2.01 0.92 -4.58 115.64 124.62 2kl8 s THR 71 Ca 0.50 0.83 -0.09 0.00 0.31 0.00 0.00 61.69 63.24 2kl8 s THR 71 Cb -0.06 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2kl8 s THR 71 CO 0.30 -0.07 0.30 0.54 -0.69 0.00 0.00 174.62 175.00 2kl8 s VAL 72 N -1.84 -0.01 0.07 3.82 0.11 -1.26 -0.55 120.40 120.74 2kl8 s VAL 72 Ca 0.49 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.68 2kl8 s VAL 72 Cb -0.12 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2kl8 s VAL 72 CO 0.19 0.02 -0.23 0.42 -3.33 0.00 0.00 175.10 172.17 2kl8 s THR 73 N 0.60 2.47 -0.03 5.04 -4.23 -0.65 -4.98 115.64 113.87 2kl8 s THR 73 Ca -0.04 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 2kl8 s THR 73 Cb -0.05 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 2kl8 s THR 73 CO -0.04 0.27 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.78 2kl8 s TYR 74 N -0.94 2.04 -0.24 3.99 1.51 -1.26 -1.63 117.35 120.82 2kl8 s TYR 74 Ca 0.14 -0.49 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2kl8 s TYR 74 Cb -0.10 -1.33 0.08 0.00 -0.11 0.00 0.00 41.96 40.50 2kl8 s TYR 74 CO 0.05 -0.11 0.08 0.99 -1.11 0.00 0.00 175.55 175.45 2kl8 s THR 75 N -0.29 0.34 -0.46 -0.71 2.01 0.21 -5.01 115.64 111.73 2kl8 s THR 75 Ca 0.02 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 2kl8 s THR 75 Cb -0.11 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.40 2kl8 s THR 75 CO 0.01 -0.45 0.36 -0.63 -0.69 0.00 0.00 174.62 173.22 2kl8 s ILE 76 N 1.92 5.04 -0.71 1.82 -1.09 -1.26 -1.25 121.20 125.67 2kl8 s ILE 76 Ca 0.04 -1.10 -0.26 0.00 -2.23 0.00 0.00 60.65 57.10 2kl8 s ILE 76 Cb -0.17 -4.01 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2kl8 s ILE 76 CO -0.19 -0.55 1.22 0.00 -1.23 0.00 0.00 174.94 174.20 2kl8 s ARG 77 N 1.60 3.21 -0.17 2.79 1.70 -1.21 -5.00 118.95 121.87 2kl8 s ARG 77 Ca 0.04 -0.27 -0.17 0.00 -0.47 0.00 0.00 55.73 54.85 2kl8 s ARG 77 Cb -0.24 -4.17 -0.04 0.00 -0.57 0.00 0.00 34.95 29.94 2kl8 s ARG 77 CO 0.06 -2.05 0.46 -1.17 -1.08 0.00 0.00 175.30 171.52 2kl8 s LEU 78 N 5.41 4.19 -0.45 -1.89 0.20 -1.26 -3.65 118.68 121.23 2kl8 s LEU 78 Ca 0.34 0.66 -0.27 0.00 0.69 0.00 0.00 54.13 55.55 2kl8 s LEU 78 Cb -0.09 -2.63 -0.03 0.00 -0.43 0.00 0.00 46.19 43.01 2kl8 s LEU 78 CO 0.15 -0.08 1.99 -0.70 -0.29 0.00 0.00 176.35 177.43 2kl8 s GLU 79 N 1.16 2.81 -0.23 1.98 2.12 -1.26 -4.94 118.70 120.33 2kl8 s GLU 79 Ca 0.23 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.75 2kl8 s GLU 79 Cb -0.15 -4.36 0.06 0.00 0.26 0.00 0.00 34.13 29.94 2kl8 s GLU 79 CO 0.09 -2.49 -0.04 -1.58 -0.54 0.00 0.00 175.26 170.70 2kl8 s HIS 80 N 8.91 2.22 0.00 5.30 2.46 -1.26 -5.10 115.29 127.82 2kl8 s HIS 80 Ca 0.81 -1.63 0.00 0.00 0.47 0.00 0.00 55.06 54.71 2kl8 s HIS 80 Cb -0.19 -1.51 -0.00 0.00 -0.13 0.00 0.00 32.58 30.75 2kl8 s HIS 80 CO 0.28 -0.75 -0.00 -3.38 -2.47 0.00 0.00 174.74 168.41 2kl8 s HIS 81 N 1.46 0.01 0.01 3.88 -3.43 -1.26 -5.08 115.29 110.88 2kl8 s HIS 81 Ca -0.05 -0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 53.96 2kl8 s HIS 81 Cb -0.18 -0.01 -0.17 0.00 -1.43 0.00 0.00 32.58 30.79 2kl8 s HIS 81 CO -0.06 -0.01 1.31 1.25 -2.00 0.00 0.00 174.74 175.23 2kl8 h HIS 82 N 6.08 0.22 -4.34 0.38 -0.00 -2.06 -3.49 115.15 111.94 2kl8 h HIS 82 Ca -0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2kl8 h HIS 82 Cb 1.21 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.52 2kl8 h HIS 82 CO 0.42 0.61 -1.01 1.58 -0.00 0.00 0.00 177.93 179.53 2kl8 n HIS 83 N -4.71 -3.73 -4.19 5.26 -0.00 -1.26 -5.06 115.22 101.53 2kl8 n HIS 83 Ca -0.07 2.20 -0.27 0.00 -0.00 0.00 0.00 57.72 59.58 2kl8 n HIS 83 Cb 0.30 -3.46 -0.07 0.00 -0.00 0.00 0.00 29.99 26.76 2kl8 n HIS 83 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kl8 s HIS 84 N -0.50 2.88 0.00 1.57 2.46 -1.26 -5.35 115.29 115.09 2kl8 s HIS 84 Ca -0.11 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.30 2kl8 s HIS 84 Cb 0.01 -1.39 0.00 0.00 -0.13 0.00 0.00 32.58 31.06 2kl8 s HIS 84 CO 0.29 0.52 0.13 -2.39 -2.47 0.00 0.00 174.74 170.81