#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 1.00 -0.09 2.12 2.02 -0.78 -2.21 118.70 120.75 2kl8 s GLU 2 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 2kl8 s GLU 2 Cb 0.00 -1.03 0.02 0.00 0.10 0.00 0.00 34.13 33.22 2kl8 s GLU 2 CO 0.00 0.25 -0.06 0.00 0.02 0.00 0.00 175.26 175.48 2kl8 s MET 3 N -1.25 1.21 0.03 1.61 0.23 -0.82 -0.55 119.30 119.77 2kl8 s MET 3 Ca 0.02 -0.15 -0.24 0.00 -1.03 0.00 0.00 55.69 54.30 2kl8 s MET 3 Cb -0.08 -1.32 -0.06 0.00 -1.53 0.00 0.00 34.83 31.84 2kl8 s MET 3 CO 0.02 -0.23 0.71 -0.51 -2.03 0.00 0.00 175.02 172.98 2kl8 s ASP 4 N 1.60 7.14 -0.02 -1.18 1.11 0.29 -1.75 116.67 123.86 2kl8 s ASP 4 Ca 0.01 1.37 0.00 0.00 0.18 0.00 0.00 52.55 54.11 2kl8 s ASP 4 Cb -0.13 -2.44 0.02 0.00 1.07 0.00 0.00 42.92 41.44 2kl8 s ASP 4 CO -0.05 0.05 0.01 -0.63 1.18 0.00 0.00 175.17 175.73 2kl8 s ILE 5 N -0.14 0.04 -0.17 0.77 1.01 0.85 -0.84 121.20 122.72 2kl8 s ILE 5 Ca 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.10 2kl8 s ILE 5 Cb -0.20 -0.12 0.05 0.00 0.01 0.00 0.00 42.46 42.20 2kl8 s ILE 5 CO 0.21 0.08 0.00 -0.13 0.00 0.00 0.00 174.94 175.10 2kl8 s ARG 6 N 0.70 0.90 0.05 2.79 0.52 0.12 -0.40 118.95 123.62 2kl8 s ARG 6 Ca -0.06 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 2kl8 s ARG 6 Cb -0.09 -1.90 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 2kl8 s ARG 6 CO -0.02 -0.52 0.42 -0.06 0.02 0.00 0.00 175.30 175.14 2kl8 s PHE 7 N 1.80 3.66 -0.06 -0.53 0.40 -0.99 -1.12 117.98 121.14 2kl8 s PHE 7 Ca 0.00 0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 57.24 2kl8 s PHE 7 Cb -0.16 -2.25 0.04 0.00 0.51 0.00 0.00 43.02 41.16 2kl8 s PHE 7 CO -0.07 0.57 0.11 0.50 0.70 0.00 0.00 175.22 177.03 2kl8 s ARG 8 N -1.50 0.03 0.08 0.44 3.52 0.89 -0.17 118.95 122.24 2kl8 s ARG 8 Ca 0.29 0.37 -0.12 0.00 -0.13 0.00 0.00 55.73 56.13 2kl8 s ARG 8 Cb -0.15 -0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.03 2kl8 s ARG 8 CO 0.16 -0.21 0.59 0.41 -0.81 0.00 0.00 175.30 175.44 2kl8 n GLY 9 N 4.52 0.81 0.12 8.12 0.00 -1.16 -0.51 105.19 117.10 2kl8 n GLY 9 Ca -0.20 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.90 1.91 -4.63 1.61 9.92 -1.26 -4.88 116.55 118.32 2kl8 n ASP 10 Ca -0.00 0.39 -0.43 0.00 -0.53 0.00 0.00 54.79 54.22 2kl8 n ASP 10 Cb 0.32 -0.88 -0.03 0.00 -0.64 0.00 0.00 41.12 39.89 2kl8 n ASP 10 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2kl8 s ASP 11 N -7.08 5.95 0.10 -2.24 1.01 -1.26 -4.90 116.67 108.25 2kl8 s ASP 11 Ca -0.33 2.16 -0.23 0.00 0.71 0.00 0.00 52.55 54.86 2kl8 s ASP 11 Cb 0.10 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.40 2kl8 s ASP 11 CO 0.52 -1.53 1.72 0.25 0.21 0.00 0.00 175.17 176.34 2kl8 h LEU 12 N 12.96 -0.12 -2.20 1.23 5.85 -2.02 -2.30 115.31 128.72 2kl8 h LEU 12 Ca -0.43 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.37 2kl8 h LEU 12 Cb 1.23 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2kl8 h LEU 12 CO 0.96 -0.06 0.23 -0.33 -0.34 0.00 0.00 178.44 178.91 2kl8 h GLU 13 N -0.05 0.00 -0.76 1.25 5.08 -2.01 -2.00 114.58 116.09 2kl8 h GLU 13 Ca 0.03 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2kl8 h GLU 13 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2kl8 h GLU 13 CO -0.07 0.00 0.51 0.00 -1.00 0.00 0.00 179.01 178.45 2kl8 h ALA 14 N 1.72 2.15 0.40 3.43 0.00 -1.80 -0.12 119.26 125.05 2kl8 h ALA 14 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kl8 h ALA 14 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kl8 h ALA 14 CO -0.00 -0.36 -0.19 0.74 0.00 0.00 0.00 179.25 179.44 2kl8 h PHE 15 N 0.39 -0.49 -0.95 0.00 0.04 -1.52 -2.49 116.94 111.91 2kl8 h PHE 15 Ca 0.37 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.19 2kl8 h PHE 15 Cb 0.90 0.16 -0.06 0.00 2.20 0.00 0.00 35.95 39.15 2kl8 h PHE 15 CO -0.00 -0.31 0.61 1.05 -0.60 0.00 0.00 178.31 179.06 2kl8 h GLU 16 N -1.12 1.10 -0.27 1.51 4.11 -1.64 0.38 114.58 118.65 2kl8 h GLU 16 Ca -0.05 -0.07 -0.13 0.00 0.07 0.00 0.00 59.36 59.18 2kl8 h GLU 16 Cb 0.41 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kl8 h GLU 16 CO 0.09 0.73 -0.33 0.87 0.07 0.00 0.00 179.01 180.44 2kl8 h LYS 17 N 1.13 0.70 -0.24 1.06 1.79 -1.14 0.23 116.57 120.10 2kl8 h LYS 17 Ca 0.40 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2kl8 h LYS 17 Cb 0.12 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2kl8 h LYS 17 CO -0.16 1.01 0.07 0.00 -1.08 0.00 0.00 179.45 179.29 2kl8 h ALA 18 N 0.68 0.32 -0.72 3.86 0.00 -1.23 -2.51 119.26 119.67 2kl8 h ALA 18 Ca 0.04 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kl8 h ALA 18 Cb 0.91 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2kl8 h ALA 18 CO 0.08 -0.04 0.40 1.25 0.00 0.00 0.00 179.25 180.93 2kl8 h LEU 19 N 0.22 0.57 -0.51 0.00 5.85 -0.87 -1.63 115.31 118.94 2kl8 h LEU 19 Ca 0.08 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2kl8 h LEU 19 Cb 0.25 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2kl8 h LEU 19 CO -0.00 0.35 0.22 0.50 -0.34 0.00 0.00 178.44 179.18 2kl8 h LYS 20 N 0.71 0.42 -0.61 1.25 1.63 -0.35 0.34 116.57 119.95 2kl8 h LYS 20 Ca 0.33 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.02 2kl8 h LYS 20 Cb 0.25 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2kl8 h LYS 20 CO -0.21 0.28 0.02 0.93 -3.45 0.00 0.00 179.45 177.02 2kl8 h GLU 21 N 0.43 1.07 0.31 1.90 4.39 -1.04 0.11 114.58 121.75 2kl8 h GLU 21 Ca 0.24 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2kl8 h GLU 21 Cb 0.20 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kl8 h GLU 21 CO -0.20 1.03 -0.15 0.52 -1.16 0.00 0.00 179.01 179.05 2kl8 h MET 22 N 0.97 -0.40 -0.78 2.33 2.86 -0.73 -1.67 114.93 117.51 2kl8 h MET 22 Ca 0.18 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2kl8 h MET 22 Cb 0.53 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2kl8 h MET 22 CO 0.03 -0.22 0.51 0.82 1.06 0.00 0.00 176.91 179.10 2kl8 h ILE 23 N -0.49 1.17 -0.56 -1.22 2.04 -0.94 0.85 117.51 118.36 2kl8 h ILE 23 Ca -0.04 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.58 2kl8 h ILE 23 Cb 0.37 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.39 2kl8 h ILE 23 CO 0.07 0.19 -0.16 -0.09 0.00 0.00 0.00 178.15 178.16 2kl8 h ARG 24 N 1.03 -0.02 -0.01 2.37 2.43 -0.55 0.47 114.38 120.10 2kl8 h ARG 24 Ca 0.30 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.28 2kl8 h ARG 24 Cb -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2kl8 h ARG 24 CO -0.08 -0.01 -0.82 1.96 -1.51 0.00 0.00 179.97 179.51 2kl8 h GLN 25 N -0.02 0.22 -0.13 0.20 1.08 -0.98 -3.28 115.11 112.21 2kl8 h GLN 25 Ca 0.27 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 2kl8 h GLN 25 Cb 0.43 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2kl8 h GLN 25 CO -0.59 0.92 -0.20 0.00 -0.95 0.00 0.00 178.83 178.02 2kl8 h ALA 26 N 1.00 1.44 0.00 3.87 0.00 0.46 -2.31 119.26 123.71 2kl8 h ALA 26 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2kl8 h ALA 26 Cb 1.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kl8 h ALA 26 CO 0.13 0.40 -0.15 0.00 0.00 0.00 0.00 179.25 179.62 2kl8 h ARG 27 N 0.20 0.00 -0.14 0.00 3.08 -1.02 -2.35 114.38 114.15 2kl8 h ARG 27 Ca 0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2kl8 h ARG 27 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2kl8 h ARG 27 CO 0.03 0.15 0.18 -0.22 -1.07 0.00 0.00 179.97 179.04 2kl8 h LYS 28 N 0.00 0.00 -5.77 0.04 1.63 -1.56 -3.43 116.57 107.48 2kl8 h LYS 28 Ca -0.00 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.18 2kl8 h LYS 28 Cb 0.31 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.81 2kl8 h LYS 28 CO 0.02 0.00 -0.64 -0.06 -3.45 0.00 0.00 179.45 175.32 2kl8 s PHE 29 N -4.59 2.46 -1.06 1.91 0.08 -0.88 -5.07 117.98 110.83 2kl8 s PHE 29 Ca -0.05 -0.60 -0.20 0.00 0.12 0.00 0.00 56.93 56.21 2kl8 s PHE 29 Cb 0.15 -1.59 0.09 0.00 -0.57 0.00 0.00 43.02 41.10 2kl8 s PHE 29 CO 0.53 0.50 1.39 0.00 -0.10 0.00 0.00 175.22 177.54 2kl8 s ALA 30 N -2.68 3.16 0.06 5.36 0.00 -1.26 -4.96 121.76 121.46 2kl8 s ALA 30 Ca 0.34 -2.65 -0.08 0.00 0.00 0.00 0.00 51.96 49.56 2kl8 s ALA 30 Cb 0.07 -4.35 -0.00 0.00 0.00 0.00 0.00 23.12 18.83 2kl8 s ALA 30 CO 0.17 -3.27 0.18 0.20 0.00 0.00 0.00 175.76 173.04 2kl8 s GLY 31 N 4.19 0.09 -0.17 0.00 0.00 -1.26 -4.81 107.32 105.35 2kl8 s GLY 31 Ca 0.43 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 2kl8 s GLY 31 CO -0.06 -0.68 0.01 -1.59 0.00 0.00 0.00 173.10 170.78 2kl8 s THR 32 N -3.29 4.23 -0.34 0.90 2.01 -0.89 -4.92 115.64 113.35 2kl8 s THR 32 Ca 0.01 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 2kl8 s THR 32 Cb 0.02 -2.89 0.05 0.00 0.01 0.00 0.00 72.50 69.69 2kl8 s THR 32 CO -0.08 0.47 0.09 -0.69 -0.69 0.00 0.00 174.62 173.72 2kl8 s VAL 33 N 0.50 3.62 -0.19 3.82 1.01 -1.26 -0.76 120.40 127.14 2kl8 s VAL 33 Ca -0.01 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.66 2kl8 s VAL 33 Cb -0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2kl8 s VAL 33 CO 0.02 -0.20 0.11 0.42 0.00 0.00 0.00 175.10 175.45 2kl8 s THR 34 N 1.36 5.24 0.01 3.92 -4.23 0.01 -4.95 115.64 117.00 2kl8 s THR 34 Ca -0.02 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 2kl8 s THR 34 Cb -0.20 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.26 2kl8 s THR 34 CO 0.02 0.45 0.11 -0.72 -0.54 0.00 0.00 174.62 173.94 2kl8 s TYR 35 N 0.30 0.08 -0.01 3.99 -0.85 -1.26 -0.20 117.35 119.40 2kl8 s TYR 35 Ca 0.07 -0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 2kl8 s TYR 35 Cb -0.11 -0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.17 2kl8 s TYR 35 CO -0.01 -0.28 0.01 -0.08 -1.52 0.00 0.00 175.55 173.67 2kl8 s THR 36 N -1.45 0.04 -0.49 -3.49 -1.32 0.07 -4.99 115.64 104.01 2kl8 s THR 36 Ca -0.15 0.10 -0.18 0.00 -1.21 0.00 0.00 61.69 60.25 2kl8 s THR 36 Cb -0.08 -0.12 0.05 0.00 -1.51 0.00 0.00 72.50 70.85 2kl8 s THR 36 CO 0.01 0.08 0.57 -0.22 -2.21 0.00 0.00 174.62 172.84 2kl8 s LEU 37 N 0.67 5.02 -0.15 9.08 2.96 -1.26 -0.79 118.68 134.21 2kl8 s LEU 37 Ca -0.06 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 2kl8 s LEU 37 Cb -0.09 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.22 2kl8 s LEU 37 CO -0.02 -0.81 -0.10 -0.62 -1.32 0.00 0.00 176.35 173.49 2kl8 s ASP 38 N 2.52 2.68 0.84 3.68 2.15 0.24 -5.00 116.67 123.77 2kl8 s ASP 38 Ca 0.13 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2kl8 s ASP 38 Cb -0.19 -1.04 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 2kl8 s ASP 38 CO 0.12 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2kl8 n GLY 39 N 4.83 0.92 0.00 2.66 0.00 -1.26 -1.12 105.19 111.22 2kl8 n GLY 39 Ca -0.14 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 8.22 1.44 -4.45 1.61 3.02 -1.26 -5.05 115.26 118.79 2kl8 n ASN 40 Ca 0.00 -1.55 -0.33 0.00 -0.03 0.00 0.00 54.58 52.68 2kl8 n ASN 40 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.55 3.91 -0.44 6.41 1.11 -0.27 -3.00 116.67 123.84 2kl8 s ASP 41 Ca 0.00 -0.23 -0.08 0.00 0.18 0.00 0.00 52.55 52.42 2kl8 s ASP 41 Cb 0.00 -0.83 0.10 0.00 1.07 0.00 0.00 42.92 43.27 2kl8 s ASP 41 CO 0.00 0.33 0.29 -0.22 1.18 0.00 0.00 175.17 176.75 2kl8 s LEU 42 N -0.67 5.42 -0.35 1.23 2.96 0.76 -0.59 118.68 127.44 2kl8 s LEU 42 Ca 0.10 -1.79 -0.28 0.00 -0.22 0.00 0.00 54.13 51.94 2kl8 s LEU 42 Cb -0.11 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2kl8 s LEU 42 CO 0.01 -0.61 1.03 -0.70 -1.32 0.00 0.00 176.35 174.75 2kl8 s GLU 43 N 1.34 3.95 -0.09 1.98 -6.30 0.03 -2.35 118.70 117.26 2kl8 s GLU 43 Ca 0.05 0.84 0.03 0.00 -2.50 0.00 0.00 54.97 53.39 2kl8 s GLU 43 Cb -0.25 -3.78 0.01 0.00 0.00 0.00 0.00 34.13 30.11 2kl8 s GLU 43 CO -0.00 -0.97 -0.19 0.42 0.02 0.00 0.00 175.26 174.54 2kl8 s ILE 44 N 3.67 1.65 -0.09 -3.70 1.01 0.46 -0.75 121.20 123.45 2kl8 s ILE 44 Ca 0.43 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2kl8 s ILE 44 Cb -0.12 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2kl8 s ILE 44 CO 0.18 0.47 -0.14 -0.60 0.00 0.00 0.00 174.94 174.85 2kl8 s ARG 45 N 0.54 2.04 -0.19 2.79 3.52 0.72 -0.11 118.95 128.27 2kl8 s ARG 45 Ca -0.16 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 2kl8 s ARG 45 Cb -0.17 -1.71 -0.01 0.00 -1.56 0.00 0.00 34.95 31.50 2kl8 s ARG 45 CO 0.06 -0.01 -0.06 0.42 -0.81 0.00 0.00 175.30 174.89 2kl8 s ILE 46 N 0.83 3.39 -0.17 4.11 1.01 -0.72 -0.81 121.20 128.85 2kl8 s ILE 46 Ca -0.11 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2kl8 s ILE 46 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2kl8 s ILE 46 CO 0.01 0.46 0.03 -0.89 0.00 0.00 0.00 174.94 174.55 2kl8 s THR 47 N 1.00 4.47 0.00 2.92 2.01 0.06 -1.94 115.64 124.16 2kl8 s THR 47 Ca -0.00 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2kl8 s THR 47 Cb -0.15 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.37 2kl8 s THR 47 CO 0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 2kl8 n GLY 48 N 3.42 1.60 3.76 4.40 0.00 -0.94 -2.09 105.19 115.34 2kl8 n GLY 48 Ca -0.17 -0.15 -0.39 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 -2.00 4.96 0.38 1.61 -7.23 -1.19 -4.75 120.40 112.17 2kl8 s VAL 49 Ca 0.00 1.17 -0.25 0.00 -1.81 0.00 0.00 61.98 61.09 2kl8 s VAL 49 Cb 0.00 -3.90 -0.09 0.00 0.56 0.00 0.00 36.38 32.95 2kl8 s VAL 49 CO 0.00 0.42 1.06 -2.84 -0.31 0.00 0.00 175.10 173.43 2kl8 s PRO 50 N -0.16 4.25 0.18 4.82 0.02 -1.26 -4.48 135.00 138.37 2kl8 s PRO 50 Ca 0.30 1.58 -0.15 0.00 0.02 0.00 0.00 61.00 62.75 2kl8 s PRO 50 Cb -0.18 -2.67 0.15 0.00 0.02 0.00 0.00 34.50 31.82 2kl8 s PRO 50 CO 0.16 -0.08 1.70 1.49 -0.33 0.00 0.00 177.00 179.94 2kl8 h GLU 51 N 2.76 0.14 -0.33 5.54 4.22 -1.99 0.14 114.58 125.05 2kl8 h GLU 51 Ca -0.48 -0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.05 2kl8 h GLU 51 Cb 1.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kl8 h GLU 51 CO 0.63 0.09 0.27 -0.56 -2.18 0.00 0.00 179.01 177.26 2kl8 h GLN 52 N 0.14 0.00 0.00 1.92 3.07 -2.04 -1.35 115.11 116.86 2kl8 h GLN 52 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.87 2kl8 h GLN 52 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 2kl8 h GLN 52 CO -0.34 0.00 -1.65 0.28 0.09 0.00 0.00 178.83 177.21 2kl8 n VAL 53 N -4.22 0.66 -0.16 1.86 0.31 -0.31 -4.37 118.33 112.10 2kl8 n VAL 53 Ca 0.05 -0.61 -0.03 0.00 -0.01 0.00 0.00 64.34 63.74 2kl8 n VAL 53 Cb 0.44 -0.34 0.04 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.04 -0.95 5.55 2.43 0.41 -0.79 114.38 121.07 2kl8 h ARG 54 Ca -0.12 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.16 2kl8 h ARG 54 Cb 1.32 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.78 2kl8 h ARG 54 CO 0.02 0.03 0.58 1.57 -1.51 0.00 0.00 179.97 180.65 2kl8 h LYS 55 N 0.04 0.90 -0.18 0.20 2.10 -1.76 0.01 116.57 117.89 2kl8 h LYS 55 Ca 0.24 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.75 2kl8 h LYS 55 Cb 0.37 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2kl8 h LYS 55 CO -0.47 0.60 -0.24 0.93 -2.00 0.00 0.00 179.45 178.27 2kl8 h GLU 56 N 0.93 0.47 -0.53 0.07 5.08 -1.43 -1.93 114.58 117.24 2kl8 h GLU 56 Ca 0.46 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2kl8 h GLU 56 Cb 0.45 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2kl8 h GLU 56 CO -0.26 0.86 0.17 -0.07 -1.00 0.00 0.00 179.01 178.71 2kl8 h LEU 57 N 0.12 0.77 0.00 1.33 3.38 -0.84 0.71 115.31 120.78 2kl8 h LEU 57 Ca 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kl8 h LEU 57 Cb 0.80 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kl8 h LEU 57 CO 0.06 0.77 -0.00 0.00 0.09 0.00 0.00 178.44 179.36 2kl8 h ALA 58 N 1.03 -0.01 -0.37 1.53 0.00 -1.03 -0.38 119.26 120.03 2kl8 h ALA 58 Ca 0.17 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2kl8 h ALA 58 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2kl8 h ALA 58 CO -0.01 -0.43 0.13 -0.22 0.00 0.00 0.00 179.25 178.72 2kl8 h LYS 59 N -0.15 0.27 -0.95 0.00 3.11 -1.29 -2.35 116.57 115.21 2kl8 h LYS 59 Ca -0.00 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 2kl8 h LYS 59 Cb 0.15 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.27 2kl8 h LYS 59 CO 0.00 0.18 0.62 1.49 -2.81 0.00 0.00 179.45 178.94 2kl8 h GLU 60 N 0.28 1.21 -0.43 1.90 4.57 -0.69 -1.20 114.58 120.22 2kl8 h GLU 60 Ca 0.17 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2kl8 h GLU 60 Cb 0.15 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 2kl8 h GLU 60 CO -0.17 0.80 0.23 0.00 -1.18 0.00 0.00 179.01 178.69 2kl8 h ALA 61 N 1.36 0.54 -0.81 2.92 0.00 -0.67 0.21 119.26 122.81 2kl8 h ALA 61 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kl8 h ALA 61 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2kl8 h ALA 61 CO -0.09 -0.11 0.50 0.93 0.00 0.00 0.00 179.25 180.48 2kl8 h GLU 62 N 0.47 1.09 -0.62 0.00 5.08 -0.91 -0.97 114.58 118.73 2kl8 h GLU 62 Ca 0.18 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2kl8 h GLU 62 Cb 0.05 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2kl8 h GLU 62 CO -0.10 0.76 0.22 -0.09 -1.00 0.00 0.00 179.01 178.80 2kl8 h ARG 63 N 1.11 0.95 -0.28 2.33 2.43 -0.67 -2.09 114.38 118.15 2kl8 h ARG 63 Ca 0.29 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2kl8 h ARG 63 Cb -0.06 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 2kl8 h ARG 63 CO -0.06 0.82 0.08 -0.07 -1.51 0.00 0.00 179.97 179.24 2kl8 h LEU 64 N 0.88 0.07 0.06 3.80 3.38 -0.19 0.14 115.31 123.45 2kl8 h LEU 64 Ca 0.20 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2kl8 h LEU 64 Cb 0.25 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2kl8 h LEU 64 CO -0.01 0.07 -0.33 0.00 0.09 0.00 0.00 178.44 178.26 2kl8 h ALA 65 N 1.19 -0.53 -0.54 1.53 0.00 -0.99 -1.19 119.26 118.73 2kl8 h ALA 65 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kl8 h ALA 65 Cb 0.11 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2kl8 h ALA 65 CO -0.15 -0.86 0.35 0.87 0.00 0.00 0.00 179.25 179.46 2kl8 h LYS 66 N -0.52 0.72 -0.31 0.00 1.79 -1.21 0.25 116.57 117.29 2kl8 h LYS 66 Ca 0.04 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2kl8 h LYS 66 Cb 0.58 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2kl8 h LYS 66 CO -0.23 0.49 0.16 1.49 -1.08 0.00 0.00 179.45 180.28 2kl8 h GLU 67 N 0.74 0.44 -0.38 3.15 4.57 -0.08 -2.66 114.58 120.36 2kl8 h GLU 67 Ca 0.20 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2kl8 h GLU 67 Cb -0.06 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2kl8 h GLU 67 CO -0.04 0.39 0.00 1.19 -1.18 0.00 0.00 179.01 179.37 2kl8 n PHE 68 N -4.79 0.50 -2.77 0.92 3.72 -0.51 -4.93 117.46 109.60 2kl8 n PHE 68 Ca -0.02 -0.25 -0.21 0.00 -0.05 0.00 0.00 57.45 56.92 2kl8 n PHE 68 Cb 0.09 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.85 -5.81 -4.72 4.37 5.15 0.20 -4.93 115.26 110.36 2kl8 n ASN 69 Ca 0.17 -0.16 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 2kl8 n ASN 69 Cb 0.42 -4.76 -0.06 0.00 -0.53 0.00 0.00 39.78 34.85 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2kl8 s ILE 70 N -3.08 3.13 -0.09 -1.44 -4.36 0.63 -4.93 121.20 111.04 2kl8 s ILE 70 Ca 0.18 -1.73 -0.14 0.00 -0.26 0.00 0.00 60.65 58.70 2kl8 s ILE 70 Cb -0.08 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.62 2kl8 s ILE 70 CO 0.22 -0.22 0.34 -0.89 0.24 0.00 0.00 174.94 174.63 2kl8 s THR 71 N -2.40 5.22 -0.05 8.37 2.01 0.34 -4.19 115.64 124.93 2kl8 s THR 71 Ca 0.36 0.67 0.05 0.00 0.31 0.00 0.00 61.69 63.09 2kl8 s THR 71 Cb -0.03 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2kl8 s THR 71 CO 0.22 0.47 -0.21 0.54 -0.69 0.00 0.00 174.62 174.95 2kl8 s VAL 72 N -0.22 1.75 0.00 3.82 0.11 -1.26 -0.08 120.40 124.52 2kl8 s VAL 72 Ca 0.20 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 2kl8 s VAL 72 Cb -0.14 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.21 2kl8 s VAL 72 CO 0.08 0.49 -0.15 0.42 -3.33 0.00 0.00 175.10 172.62 2kl8 s THR 73 N -0.11 1.17 0.07 5.04 -4.23 -0.27 -4.98 115.64 112.32 2kl8 s THR 73 Ca -0.02 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2kl8 s THR 73 Cb -0.12 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 2kl8 s THR 73 CO 0.03 0.26 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.62 2kl8 s TYR 74 N -0.46 0.60 -0.24 3.99 1.13 -1.26 0.13 117.35 121.24 2kl8 s TYR 74 Ca 0.05 -1.09 -0.03 0.00 -1.41 0.00 0.00 57.07 54.59 2kl8 s TYR 74 Cb -0.06 -0.41 0.13 0.00 -1.10 0.00 0.00 41.96 40.51 2kl8 s TYR 74 CO -0.00 -0.39 0.34 0.99 -2.51 0.00 0.00 175.55 173.99 2kl8 s THR 75 N -3.92 -0.54 -0.19 -3.49 2.01 -0.02 -4.98 115.64 104.52 2kl8 s THR 75 Ca 0.10 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2kl8 s THR 75 Cb 0.08 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 2kl8 s THR 75 CO -0.08 -0.15 0.03 -0.63 -0.69 0.00 0.00 174.62 173.10 2kl8 s ILE 76 N 2.50 4.38 -0.28 1.82 1.01 -1.26 -0.55 121.20 128.81 2kl8 s ILE 76 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 2kl8 s ILE 76 Cb -0.15 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 2kl8 s ILE 76 CO -0.16 0.45 0.07 -0.13 0.00 0.00 0.00 174.94 175.17 2kl8 s ARG 77 N 0.61 3.25 -0.15 2.79 0.52 0.29 -5.01 118.95 121.26 2kl8 s ARG 77 Ca 0.01 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2kl8 s ARG 77 Cb -0.14 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.00 2kl8 s ARG 77 CO 0.02 -0.36 -0.18 -1.17 0.02 0.00 0.00 175.30 173.63 2kl8 s LEU 78 N 1.53 2.33 -0.75 2.53 0.20 -1.26 -1.87 118.68 121.40 2kl8 s LEU 78 Ca 0.04 -0.52 -0.26 0.00 0.69 0.00 0.00 54.13 54.08 2kl8 s LEU 78 Cb -0.16 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2kl8 s LEU 78 CO 0.02 0.08 1.78 -1.61 -0.29 0.00 0.00 176.35 176.34 2kl8 s GLU 79 N 0.82 2.75 0.72 1.98 8.01 -1.26 -4.97 118.70 126.74 2kl8 s GLU 79 Ca -0.06 0.09 -0.11 0.00 0.01 0.00 0.00 54.97 54.90 2kl8 s GLU 79 Cb -0.15 -4.65 0.03 0.00 -4.31 0.00 0.00 34.13 25.05 2kl8 s GLU 79 CO -0.01 -2.82 1.09 -3.38 0.01 0.00 0.00 175.26 170.15 2kl8 s HIS 80 N 8.66 3.20 0.00 1.61 -3.43 -1.26 -3.99 115.29 120.08 2kl8 s HIS 80 Ca 0.62 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.78 2kl8 s HIS 80 Cb -0.09 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 27.92 2kl8 s HIS 80 CO 0.11 -1.29 0.00 0.72 -2.00 0.00 0.00 174.74 172.27 2kl8 n HIS 81 N -3.03 0.00 -2.22 0.38 8.25 -1.26 -4.95 115.22 112.39 2kl8 n HIS 81 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 2kl8 n HIS 81 Cb 0.58 -1.11 -0.03 0.00 1.12 0.00 0.00 29.99 30.55 2kl8 n HIS 81 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl8 s HIS 82 N -1.47 1.90 -0.27 4.41 4.02 -1.26 -4.89 115.29 117.72 2kl8 s HIS 82 Ca 0.00 0.45 -0.26 0.00 1.02 0.00 0.00 55.06 56.28 2kl8 s HIS 82 Cb 0.00 -4.28 0.14 0.00 -1.02 0.00 0.00 32.58 27.41 2kl8 s HIS 82 CO 0.00 -2.19 1.11 -3.38 1.02 0.00 0.00 174.74 171.29 2kl8 s HIS 83 N 7.91 -0.38 -0.82 1.40 -3.43 -1.26 -5.09 115.29 113.61 2kl8 s HIS 83 Ca 0.56 0.90 -0.25 0.00 -0.80 0.00 0.00 55.06 55.47 2kl8 s HIS 83 Cb -0.10 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 2kl8 s HIS 83 CO 0.17 -0.20 1.94 -1.01 -2.00 0.00 0.00 174.74 173.64 2kl8 s HIS 84 N 0.04 1.74 -2.04 0.38 3.76 -1.26 -5.29 115.29 112.63 2kl8 s HIS 84 Ca 0.04 0.72 0.32 0.00 -0.15 0.00 0.00 55.06 55.98 2kl8 s HIS 84 Cb -0.04 -4.03 1.85 0.00 1.11 0.00 0.00 32.58 31.46 2kl8 s HIS 84 CO -0.07 -1.89 2.20 -2.39 -0.85 0.00 0.00 174.74 171.73