#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 1.56 -0.17 0.03 2.02 -1.00 -2.66 118.70 118.47 2kl8 s GLU 2 Ca 0.00 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.19 2kl8 s GLU 2 Cb 0.00 -1.31 0.08 0.00 0.10 0.00 0.00 34.13 33.00 2kl8 s GLU 2 CO 0.00 0.12 0.18 1.41 0.02 0.00 0.00 175.26 176.99 2kl8 s MET 3 N -3.66 0.13 -0.23 1.61 -2.45 -0.78 -2.21 119.30 111.70 2kl8 s MET 3 Ca 0.28 0.21 -0.23 0.00 -1.25 0.00 0.00 55.69 54.70 2kl8 s MET 3 Cb 0.01 -1.18 -0.01 0.00 1.25 0.00 0.00 34.83 34.90 2kl8 s MET 3 CO 0.12 -0.59 0.76 -0.51 1.05 0.00 0.00 175.02 175.85 2kl8 s ASP 4 N 2.28 6.77 0.08 1.11 1.11 -0.53 -2.32 116.67 125.16 2kl8 s ASP 4 Ca 0.05 0.95 0.08 0.00 0.18 0.00 0.00 52.55 53.81 2kl8 s ASP 4 Cb -0.15 -2.41 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 2kl8 s ASP 4 CO -0.10 -0.44 -0.21 -0.63 1.18 0.00 0.00 175.17 174.96 2kl8 s ILE 5 N 2.59 1.72 -0.18 0.77 1.01 0.16 -0.42 121.20 126.84 2kl8 s ILE 5 Ca 0.33 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 2kl8 s ILE 5 Cb -0.16 -1.53 0.06 0.00 0.01 0.00 0.00 42.46 40.85 2kl8 s ILE 5 CO 0.08 0.07 0.05 -0.13 0.00 0.00 0.00 174.94 175.01 2kl8 s ARG 6 N -1.58 0.49 -0.19 2.79 0.52 0.10 -0.17 118.95 120.92 2kl8 s ARG 6 Ca 0.07 -0.31 -0.21 0.00 -0.52 0.00 0.00 55.73 54.76 2kl8 s ARG 6 Cb -0.09 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 2kl8 s ARG 6 CO 0.03 -0.64 0.62 -0.06 0.02 0.00 0.00 175.30 175.27 2kl8 s PHE 7 N 1.94 3.39 -0.11 -0.53 0.40 -0.76 -1.70 117.98 120.61 2kl8 s PHE 7 Ca 0.00 0.94 0.02 0.00 -0.60 0.00 0.00 56.93 57.28 2kl8 s PHE 7 Cb -0.17 -2.78 0.01 0.00 0.51 0.00 0.00 43.02 40.60 2kl8 s PHE 7 CO -0.08 -0.14 -0.17 0.50 0.70 0.00 0.00 175.22 176.03 2kl8 s ARG 8 N 1.77 2.37 0.00 0.44 3.52 0.41 -0.91 118.95 126.55 2kl8 s ARG 8 Ca 0.29 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 2kl8 s ARG 8 Cb -0.16 -1.99 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 2kl8 s ARG 8 CO 0.11 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 2kl8 n GLY 9 N 4.16 -1.16 2.88 8.12 0.00 -1.21 -1.26 105.19 116.71 2kl8 n GLY 9 Ca -0.19 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2kl8 n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl8 s ASP 10 N -4.00 4.11 -0.28 1.61 2.15 -1.26 -4.87 116.67 114.12 2kl8 s ASP 10 Ca 0.00 -2.88 -0.26 0.00 0.43 0.00 0.00 52.55 49.84 2kl8 s ASP 10 Cb 0.00 -1.45 0.17 0.00 -0.30 0.00 0.00 42.92 41.35 2kl8 s ASP 10 CO 0.00 -0.24 1.32 -0.62 -0.17 0.00 0.00 175.17 175.46 2kl8 s ASP 11 N -0.07 -0.15 -0.10 -0.34 -1.08 -1.26 -5.08 116.67 108.60 2kl8 s ASP 11 Ca 0.17 0.26 -0.07 0.00 -0.52 0.00 0.00 52.55 52.39 2kl8 s ASP 11 Cb -0.25 0.25 -0.27 0.00 -1.46 0.00 0.00 42.92 41.19 2kl8 s ASP 11 CO -0.00 -0.07 0.44 0.25 0.52 0.00 0.00 175.17 176.31 2kl8 h LEU 12 N 3.13 0.44 -1.16 -1.34 5.85 -2.01 -3.34 115.31 116.88 2kl8 h LEU 12 Ca -0.24 -0.92 -0.08 0.00 0.84 0.00 0.00 57.88 57.48 2kl8 h LEU 12 Cb 1.19 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2kl8 h LEU 12 CO 0.18 1.82 -0.27 -0.33 -0.34 0.00 0.00 178.44 179.50 2kl8 h GLU 13 N 0.08 0.24 -0.87 1.25 3.07 -2.00 -2.24 114.58 114.12 2kl8 h GLU 13 Ca -0.40 -0.08 0.11 0.00 -0.50 0.00 0.00 59.36 58.48 2kl8 h GLU 13 Cb 2.05 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 29.86 2kl8 h GLU 13 CO 0.11 0.50 0.50 0.00 -1.40 0.00 0.00 179.01 178.72 2kl8 h ALA 14 N 1.51 1.26 0.59 3.43 0.00 -1.99 0.49 119.26 124.55 2kl8 h ALA 14 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kl8 h ALA 14 Cb 0.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kl8 h ALA 14 CO 0.04 0.10 -0.34 0.35 0.00 0.00 0.00 179.25 179.41 2kl8 h PHE 15 N 0.81 -0.89 0.20 0.00 3.57 -1.52 -2.08 116.94 117.03 2kl8 h PHE 15 Ca 0.43 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2kl8 h PHE 15 Cb 0.43 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2kl8 h PHE 15 CO -0.05 -0.52 -0.10 1.49 -2.23 0.00 0.00 178.31 176.90 2kl8 h GLU 16 N -0.87 -0.26 0.41 1.11 4.81 -1.31 -2.63 114.58 115.84 2kl8 h GLU 16 Ca -0.07 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2kl8 h GLU 16 Cb 0.70 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2kl8 h GLU 16 CO 0.09 -0.06 -0.20 0.87 -0.73 0.00 0.00 179.01 178.99 2kl8 h LYS 17 N -0.42 -0.53 -0.66 1.92 1.79 -0.99 0.16 116.57 117.84 2kl8 h LYS 17 Ca -0.03 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 2kl8 h LYS 17 Cb 0.33 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 2kl8 h LYS 17 CO 0.05 -0.29 0.40 0.00 -1.08 0.00 0.00 179.45 178.52 2kl8 h ALA 18 N -0.13 0.86 -0.43 3.86 0.00 -1.47 -1.45 119.26 120.50 2kl8 h ALA 18 Ca -0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2kl8 h ALA 18 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kl8 h ALA 18 CO 0.09 0.13 -0.05 1.25 0.00 0.00 0.00 179.25 180.67 2kl8 h LEU 19 N 0.76 0.79 0.24 0.00 5.85 -1.44 -3.13 115.31 118.39 2kl8 h LEU 19 Ca 0.27 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2kl8 h LEU 19 Cb 0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2kl8 h LEU 19 CO -0.12 0.94 -0.14 0.50 -0.34 0.00 0.00 178.44 179.27 2kl8 h LYS 20 N 0.63 -0.35 -0.04 1.25 1.63 -0.09 -2.20 116.57 117.39 2kl8 h LYS 20 Ca 0.12 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2kl8 h LYS 20 Cb 0.56 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 2kl8 h LYS 20 CO 0.03 -0.24 0.02 0.93 -3.45 0.00 0.00 179.45 176.75 2kl8 h GLU 21 N -0.37 0.05 -0.76 1.90 4.39 -1.36 0.56 114.58 119.00 2kl8 h GLU 21 Ca -0.02 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2kl8 h GLU 21 Cb 0.30 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2kl8 h GLU 21 CO 0.03 0.08 0.32 0.52 -1.16 0.00 0.00 179.01 178.80 2kl8 h MET 22 N 0.01 1.12 -0.60 2.33 2.86 -1.55 -1.03 114.93 118.07 2kl8 h MET 22 Ca 0.01 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 2kl8 h MET 22 Cb 0.04 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2kl8 h MET 22 CO -0.00 0.90 0.18 0.82 1.06 0.00 0.00 176.91 179.86 2kl8 h ILE 23 N 1.08 1.25 -0.47 -1.22 2.04 -1.27 0.30 117.51 119.21 2kl8 h ILE 23 Ca 0.25 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.32 2kl8 h ILE 23 Cb 0.18 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2kl8 h ILE 23 CO -0.02 0.32 0.19 -0.09 0.00 0.00 0.00 178.15 178.55 2kl8 h ARG 24 N 0.86 0.38 -0.06 2.37 1.12 -0.16 0.05 114.38 118.93 2kl8 h ARG 24 Ca 0.19 -0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 58.84 2kl8 h ARG 24 Cb 0.30 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2kl8 h ARG 24 CO -0.00 0.25 -0.81 1.96 -3.11 0.00 0.00 179.97 178.25 2kl8 h GLN 25 N 0.39 0.47 -0.28 0.20 4.20 -1.15 -3.26 115.11 115.69 2kl8 h GLN 25 Ca 0.22 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2kl8 h GLN 25 Cb 0.19 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2kl8 h GLN 25 CO -0.20 1.07 0.17 0.00 -0.67 0.00 0.00 178.83 179.20 2kl8 h ALA 26 N 0.80 0.35 -0.96 3.87 0.00 -0.45 -3.10 119.26 119.78 2kl8 h ALA 26 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kl8 h ALA 26 Cb 1.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2kl8 h ALA 26 CO 0.14 -0.15 0.63 0.00 0.00 0.00 0.00 179.25 179.88 2kl8 h ARG 27 N 0.35 1.24 0.00 0.00 3.08 -1.08 0.32 114.38 118.29 2kl8 h ARG 27 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kl8 h ARG 27 Cb 0.01 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.78 2kl8 h ARG 27 CO -0.02 0.82 0.00 0.36 -1.07 0.00 0.00 179.97 180.06 2kl8 n LYS 28 N -4.40 0.18 -0.39 0.04 2.85 -1.18 -1.23 118.16 114.02 2kl8 n LYS 28 Ca 0.12 0.42 0.08 0.00 -1.05 0.00 0.00 58.31 57.88 2kl8 n LYS 28 Cb 0.04 -1.85 0.25 0.00 -0.65 0.00 0.00 35.03 32.81 2kl8 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2kl8 n PHE 29 N -2.19 0.91 -1.29 5.58 3.72 -0.29 -4.96 117.46 118.94 2kl8 n PHE 29 Ca 0.02 -0.68 -0.10 0.00 -0.05 0.00 0.00 57.45 56.64 2kl8 n PHE 29 Cb 0.21 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.24 -0.15 -2.34 4.37 0.00 -0.37 -4.82 120.51 117.44 2kl8 n ALA 30 Ca 0.19 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 2kl8 n ALA 30 Cb 0.73 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.58 2.88 -0.22 0.00 0.00 0.96 -4.88 107.32 103.49 2kl8 s GLY 31 Ca 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 44.72 45.18 2kl8 s GLY 31 CO 0.00 1.62 0.56 -1.59 0.00 0.00 0.00 173.10 173.69 2kl8 s THR 32 N 0.30 5.06 -0.15 0.90 2.01 0.59 -3.96 115.64 120.38 2kl8 s THR 32 Ca 0.50 1.03 -0.04 0.00 0.31 0.00 0.00 61.69 63.49 2kl8 s THR 32 Cb -0.25 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2kl8 s THR 32 CO 0.30 0.12 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.62 2kl8 s VAL 33 N 1.98 3.90 -0.06 3.82 1.01 -1.26 -0.40 120.40 129.39 2kl8 s VAL 33 Ca 0.25 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2kl8 s VAL 33 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2kl8 s VAL 33 CO 0.09 0.50 -0.18 0.28 0.00 0.00 0.00 175.10 175.79 2kl8 s THR 34 N 0.33 1.57 0.04 3.92 -1.32 -0.45 -5.00 115.64 114.73 2kl8 s THR 34 Ca -0.04 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.73 2kl8 s THR 34 Cb -0.14 -1.36 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 2kl8 s THR 34 CO 0.03 0.45 -0.16 -0.72 -2.21 0.00 0.00 174.62 172.01 2kl8 s TYR 35 N 0.24 1.41 -0.02 9.09 1.13 -1.26 -0.74 117.35 127.19 2kl8 s TYR 35 Ca -0.10 -0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.22 2kl8 s TYR 35 Cb -0.14 -0.84 0.02 0.00 -1.10 0.00 0.00 41.96 39.89 2kl8 s TYR 35 CO 0.04 0.05 -0.01 0.95 -2.51 0.00 0.00 175.55 174.07 2kl8 s THR 36 N -0.78 0.19 -0.34 -3.49 -4.23 0.24 -4.99 115.64 102.23 2kl8 s THR 36 Ca 0.04 0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.30 2kl8 s THR 36 Cb -0.08 -0.24 0.01 0.00 1.34 0.00 0.00 72.50 73.54 2kl8 s THR 36 CO 0.01 0.12 0.98 -0.76 -0.54 0.00 0.00 174.62 174.43 2kl8 s LEU 37 N 0.65 3.97 -0.80 4.79 2.01 -1.26 -0.29 118.68 127.76 2kl8 s LEU 37 Ca -0.06 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.87 2kl8 s LEU 37 Cb -0.10 -3.37 0.20 0.00 0.01 0.00 0.00 46.19 42.94 2kl8 s LEU 37 CO -0.01 -0.85 0.64 -0.62 1.01 0.00 0.00 176.35 176.52 2kl8 s ASP 38 N 1.77 5.49 0.00 2.29 2.15 -0.10 -4.98 116.67 123.30 2kl8 s ASP 38 Ca 0.41 -3.68 0.00 0.00 0.43 0.00 0.00 52.55 49.70 2kl8 s ASP 38 Cb -0.12 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 2kl8 s ASP 38 CO 0.17 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2kl8 n GLY 39 N 2.32 0.42 0.00 2.66 0.00 -1.26 -2.31 105.19 107.02 2kl8 n GLY 39 Ca 0.19 0.70 0.10 0.00 0.00 0.00 0.00 46.02 47.01 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 2.32 0.92 -3.89 1.61 3.02 -1.26 -5.00 115.26 112.98 2kl8 n ASN 40 Ca 0.00 -0.92 -0.09 0.00 -0.03 0.00 0.00 54.58 53.54 2kl8 n ASN 40 Cb 0.00 1.07 -0.07 0.00 -0.61 0.00 0.00 39.78 40.17 2kl8 n ASN 40 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2kl8 s ASP 41 N -3.11 0.13 -0.32 6.41 1.47 -0.98 -3.33 116.67 116.95 2kl8 s ASP 41 Ca 0.07 -0.71 -0.11 0.00 1.18 0.00 0.00 52.55 52.97 2kl8 s ASP 41 Cb 0.16 0.34 -0.02 0.00 -0.34 0.00 0.00 42.92 43.06 2kl8 s ASP 41 CO 0.87 -0.75 0.20 -0.22 0.68 0.00 0.00 175.17 175.96 2kl8 s LEU 42 N -2.88 4.29 0.00 2.11 2.96 -0.09 -0.93 118.68 124.14 2kl8 s LEU 42 Ca 0.07 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.30 2kl8 s LEU 42 Cb 0.05 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2kl8 s LEU 42 CO -0.09 -0.19 0.99 -1.61 -1.32 0.00 0.00 176.35 174.13 2kl8 s GLU 43 N 1.69 4.56 -0.07 1.98 2.02 0.61 -1.82 118.70 127.66 2kl8 s GLU 43 Ca 0.06 1.43 -0.01 0.00 0.02 0.00 0.00 54.97 56.47 2kl8 s GLU 43 Cb -0.17 -3.46 0.03 0.00 0.10 0.00 0.00 34.13 30.63 2kl8 s GLU 43 CO 0.09 -0.06 -0.02 0.42 0.02 0.00 0.00 175.26 175.72 2kl8 s ILE 44 N 1.02 0.48 -0.18 -1.63 1.01 0.76 -0.59 121.20 122.07 2kl8 s ILE 44 Ca 0.52 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2kl8 s ILE 44 Cb -0.21 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.67 2kl8 s ILE 44 CO 0.28 0.27 -0.18 -0.60 0.00 0.00 0.00 174.94 174.71 2kl8 s ARG 45 N 1.74 3.06 -0.20 2.79 3.52 0.08 0.37 118.95 130.31 2kl8 s ARG 45 Ca 0.02 -0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 2kl8 s ARG 45 Cb -0.13 -2.62 -0.05 0.00 -1.56 0.00 0.00 34.95 30.60 2kl8 s ARG 45 CO -0.05 -0.17 0.11 0.42 -0.81 0.00 0.00 175.30 174.80 2kl8 s ILE 46 N 1.24 5.15 0.03 4.11 1.01 -0.98 -1.35 121.20 130.41 2kl8 s ILE 46 Ca 0.03 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.87 2kl8 s ILE 46 Cb -0.14 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kl8 s ILE 46 CO -0.10 0.43 -0.25 -0.89 0.00 0.00 0.00 174.94 174.13 2kl8 s THR 47 N 0.48 2.03 0.00 2.92 2.01 0.47 -1.87 115.64 121.68 2kl8 s THR 47 Ca 0.06 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.78 2kl8 s THR 47 Cb -0.12 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.66 2kl8 s THR 47 CO -0.00 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2kl8 n GLY 48 N 1.95 0.81 3.78 4.40 0.00 -1.09 -0.30 105.19 114.74 2kl8 n GLY 48 Ca -0.17 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 4.88 1.05 1.61 -7.23 -1.14 -4.59 120.40 112.98 2kl8 s VAL 49 Ca 0.00 1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 61.21 2kl8 s VAL 49 Cb 0.00 -3.90 0.21 0.00 0.56 0.00 0.00 36.38 33.25 2kl8 s VAL 49 CO 0.00 0.46 1.15 -2.16 -0.31 0.00 0.00 175.10 174.24 2kl8 s PRO 50 N -0.46 0.03 0.03 4.82 0.04 -1.26 -0.57 135.00 137.63 2kl8 s PRO 50 Ca 0.30 0.06 -0.24 0.00 0.04 0.00 0.00 61.00 61.16 2kl8 s PRO 50 Cb -0.18 -1.73 -0.17 0.00 0.04 0.00 0.00 34.50 32.46 2kl8 s PRO 50 CO 0.17 -2.90 1.44 1.05 0.04 0.00 0.00 177.00 176.80 2kl8 h GLU 51 N -2.00 0.07 -0.47 4.56 4.11 -1.98 -0.39 114.58 118.48 2kl8 h GLU 51 Ca -0.48 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 58.83 2kl8 h GLU 51 Cb 1.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2kl8 h GLU 51 CO 0.47 0.37 -0.09 -0.56 0.07 0.00 0.00 179.01 179.26 2kl8 h GLN 52 N -0.24 0.89 -0.06 1.06 3.07 -2.02 -2.76 115.11 115.05 2kl8 h GLN 52 Ca 0.01 -0.33 -0.11 0.00 0.09 0.00 0.00 58.65 58.31 2kl8 h GLN 52 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2kl8 h GLN 52 CO 0.00 0.98 -0.46 0.28 0.09 0.00 0.00 178.83 179.72 2kl8 h VAL 53 N 0.74 1.33 -0.80 1.86 2.07 -1.95 -2.97 116.25 116.53 2kl8 h VAL 53 Ca 0.12 -1.63 0.13 0.00 0.82 0.00 0.00 66.70 66.15 2kl8 h VAL 53 Cb 0.64 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 2kl8 h VAL 53 CO 0.04 0.48 0.39 -0.09 0.02 0.00 0.00 177.57 178.41 2kl8 h ARG 54 N 0.11 0.56 0.26 1.57 9.65 -0.76 -1.23 114.38 124.55 2kl8 h ARG 54 Ca 0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2kl8 h ARG 54 Cb 0.87 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2kl8 h ARG 54 CO 0.07 0.37 -0.13 0.87 2.80 0.00 0.00 179.97 183.95 2kl8 h LYS 55 N 0.58 -0.34 -0.62 0.20 1.57 -1.45 -1.24 116.57 115.26 2kl8 h LYS 55 Ca 0.43 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2kl8 h LYS 55 Cb 0.59 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2kl8 h LYS 55 CO -0.35 -0.16 0.33 0.93 -0.57 0.00 0.00 179.45 179.63 2kl8 h GLU 56 N -0.45 0.88 -0.56 3.15 5.08 -1.52 -1.38 114.58 119.77 2kl8 h GLU 56 Ca -0.04 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2kl8 h GLU 56 Cb 0.34 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2kl8 h GLU 56 CO 0.06 0.67 0.20 -0.07 -1.00 0.00 0.00 179.01 178.87 2kl8 h LEU 57 N 0.85 0.76 -1.39 1.33 3.38 -1.22 -0.78 115.31 118.23 2kl8 h LEU 57 Ca 0.22 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2kl8 h LEU 57 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2kl8 h LEU 57 CO -0.03 0.70 -0.29 0.00 0.09 0.00 0.00 178.44 178.91 2kl8 h ALA 58 N 1.41 1.50 0.07 1.53 0.00 -0.57 -2.79 119.26 120.41 2kl8 h ALA 58 Ca 0.19 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2kl8 h ALA 58 Cb 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kl8 h ALA 58 CO -0.01 0.38 -1.09 -0.22 0.00 0.00 0.00 179.25 178.30 2kl8 h LYS 59 N 0.03 0.28 -0.77 0.00 3.64 -0.55 -3.31 116.57 115.89 2kl8 h LYS 59 Ca 0.00 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 2kl8 h LYS 59 Cb 0.52 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2kl8 h LYS 59 CO 0.04 1.14 0.41 1.49 -2.27 0.00 0.00 179.45 180.26 2kl8 h GLU 60 N 0.12 1.07 -0.80 1.90 4.81 -0.93 -2.74 114.58 118.00 2kl8 h GLU 60 Ca -0.10 -0.13 0.16 0.00 -0.13 0.00 0.00 59.36 59.16 2kl8 h GLU 60 Cb 1.78 -0.21 -0.10 0.00 0.63 0.00 0.00 28.75 30.86 2kl8 h GLU 60 CO 0.18 0.80 0.35 0.00 -0.73 0.00 0.00 179.01 179.61 2kl8 h ALA 61 N 1.21 1.18 -0.81 2.92 0.00 -1.59 0.71 119.26 122.89 2kl8 h ALA 61 Ca 0.27 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2kl8 h ALA 61 Cb 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2kl8 h ALA 61 CO -0.04 -0.20 0.50 0.93 0.00 0.00 0.00 179.25 180.44 2kl8 h GLU 62 N 0.49 1.08 0.26 0.00 4.39 -1.61 -2.38 114.58 116.81 2kl8 h GLU 62 Ca 0.45 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 2kl8 h GLU 62 Cb 0.71 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2kl8 h GLU 62 CO -0.41 0.75 -0.12 -0.09 -1.16 0.00 0.00 179.01 177.97 2kl8 h ARG 63 N 1.10 -0.34 -0.57 2.33 9.65 -0.79 -2.65 114.38 123.12 2kl8 h ARG 63 Ca 0.29 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.31 2kl8 h ARG 63 Cb -0.06 0.08 -0.10 0.00 -1.39 0.00 0.00 29.97 28.50 2kl8 h ARG 63 CO -0.06 -0.13 -0.02 -0.07 2.80 0.00 0.00 179.97 182.50 2kl8 h LEU 64 N -0.48 -0.28 0.19 3.80 3.38 -0.86 -1.72 115.31 119.33 2kl8 h LEU 64 Ca -0.04 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kl8 h LEU 64 Cb 0.36 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kl8 h LEU 64 CO 0.06 -0.11 -0.14 0.00 0.09 0.00 0.00 178.44 178.34 2kl8 h ALA 65 N 1.52 -0.32 -0.42 1.53 0.00 -1.40 -3.06 119.26 117.11 2kl8 h ALA 65 Ca 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2kl8 h ALA 65 Cb 0.46 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2kl8 h ALA 65 CO -0.49 -0.69 0.13 0.87 0.00 0.00 0.00 179.25 179.06 2kl8 h LYS 66 N -0.34 0.62 -0.42 0.00 1.57 -1.07 0.13 116.57 117.07 2kl8 h LYS 66 Ca -0.01 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2kl8 h LYS 66 Cb 0.30 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2kl8 h LYS 66 CO -0.00 0.55 0.10 0.93 -0.57 0.00 0.00 179.45 180.46 2kl8 h GLU 67 N 0.61 0.23 -0.40 3.15 4.39 -1.22 -1.80 114.58 119.54 2kl8 h GLU 67 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kl8 h GLU 67 Cb 0.19 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kl8 h GLU 67 CO -0.01 0.15 0.00 1.19 -1.16 0.00 0.00 179.01 179.19 2kl8 n PHE 68 N -5.07 0.53 -2.56 4.33 3.72 -1.01 -4.93 117.46 112.46 2kl8 n PHE 68 Ca 0.03 -0.26 -0.21 0.00 -0.05 0.00 0.00 57.45 56.95 2kl8 n PHE 68 Cb 0.18 0.00 0.00 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 0.93 -6.00 -4.91 4.37 5.15 -0.05 -5.00 115.26 109.76 2kl8 n ASN 69 Ca 0.17 -0.09 -0.21 0.00 -0.60 0.00 0.00 54.58 53.85 2kl8 n ASN 69 Cb 0.44 -4.95 -0.01 0.00 -0.53 0.00 0.00 39.78 34.73 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 2.55 -0.03 -1.44 -4.36 0.27 -4.97 121.20 110.14 2kl8 s ILE 70 Ca 0.08 -1.28 -0.07 0.00 -0.26 0.00 0.00 60.65 59.12 2kl8 s ILE 70 Cb -0.04 -2.83 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 2kl8 s ILE 70 CO 0.10 0.00 0.24 0.42 0.24 0.00 0.00 174.94 175.94 2kl8 s THR 71 N -2.50 5.34 -0.12 8.37 -4.23 -0.39 -4.17 115.64 117.94 2kl8 s THR 71 Ca 0.49 0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2kl8 s THR 71 Cb -0.04 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.29 2kl8 s THR 71 CO 0.29 0.45 -0.09 0.54 -0.54 0.00 0.00 174.62 175.27 2kl8 s VAL 72 N -1.21 1.13 -0.07 2.29 0.11 -1.26 -0.44 120.40 120.94 2kl8 s VAL 72 Ca 0.24 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 2kl8 s VAL 72 Cb -0.13 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 2kl8 s VAL 72 CO 0.13 0.38 -0.18 0.42 -3.33 0.00 0.00 175.10 172.52 2kl8 s THR 73 N 1.59 2.72 0.05 5.04 -4.23 -0.69 -4.99 115.64 115.14 2kl8 s THR 73 Ca 0.04 -0.82 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 2kl8 s THR 73 Cb -0.13 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.67 2kl8 s THR 73 CO -0.08 0.57 0.28 -0.72 -0.54 0.00 0.00 174.62 174.13 2kl8 s TYR 74 N -0.28 -0.07 -0.04 3.99 -0.85 -1.26 0.01 117.35 118.84 2kl8 s TYR 74 Ca 0.01 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.49 2kl8 s TYR 74 Cb -0.13 0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.30 2kl8 s TYR 74 CO 0.03 -0.50 -0.09 0.99 -1.52 0.00 0.00 175.55 174.47 2kl8 s THR 75 N -2.60 0.81 -0.24 -3.49 2.01 0.44 -4.99 115.64 107.58 2kl8 s THR 75 Ca -0.05 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2kl8 s THR 75 Cb -0.01 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 2kl8 s THR 75 CO -0.04 0.27 0.43 -0.63 -0.69 0.00 0.00 174.62 173.96 2kl8 s ILE 76 N 0.57 5.15 -0.13 1.82 -1.09 -1.26 -1.45 121.20 124.82 2kl8 s ILE 76 Ca -0.10 0.72 -0.00 0.00 -2.23 0.00 0.00 60.65 59.04 2kl8 s ILE 76 Cb -0.13 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 2kl8 s ILE 76 CO 0.01 0.17 -0.12 0.00 -1.23 0.00 0.00 174.94 173.78 2kl8 s ARG 77 N 1.84 3.34 0.01 2.79 1.70 -0.94 -5.04 118.95 122.65 2kl8 s ARG 77 Ca 0.18 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 2kl8 s ARG 77 Cb -0.15 -2.64 -0.01 0.00 -0.57 0.00 0.00 34.95 31.58 2kl8 s ARG 77 CO 0.09 0.25 -0.01 -1.17 -1.08 0.00 0.00 175.30 173.38 2kl8 s LEU 78 N 0.25 2.09 -0.97 -1.89 2.96 -1.26 -2.37 118.68 117.50 2kl8 s LEU 78 Ca -0.08 -0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 2kl8 s LEU 78 Cb -0.15 0.04 -0.09 0.00 0.50 0.00 0.00 46.19 46.49 2kl8 s LEU 78 CO 0.05 -0.11 2.03 -1.61 -1.32 0.00 0.00 176.35 175.39 2kl8 s GLU 79 N -0.56 2.26 -0.25 1.98 0.41 -1.26 -4.93 118.70 116.35 2kl8 s GLU 79 Ca -0.06 -0.39 -0.14 0.00 -0.41 0.00 0.00 54.97 53.97 2kl8 s GLU 79 Cb -0.04 -5.05 -0.04 0.00 -1.78 0.00 0.00 34.13 27.22 2kl8 s GLU 79 CO -0.00 -3.89 0.34 -3.38 -0.49 0.00 0.00 175.26 167.84 2kl8 s HIS 80 N 11.70 3.28 0.27 1.61 -3.43 -1.26 -5.05 115.29 122.40 2kl8 s HIS 80 Ca 0.74 0.41 -0.30 0.00 -0.80 0.00 0.00 55.06 55.12 2kl8 s HIS 80 Cb -0.06 -2.51 -0.10 0.00 -1.43 0.00 0.00 32.58 28.47 2kl8 s HIS 80 CO 0.06 -0.14 1.46 -3.38 -2.00 0.00 0.00 174.74 170.73 2kl8 s HIS 81 N 1.77 2.96 -0.28 0.38 -3.43 -1.26 -5.00 115.29 110.42 2kl8 s HIS 81 Ca 0.14 1.02 0.03 0.00 -0.80 0.00 0.00 55.06 55.45 2kl8 s HIS 81 Cb -0.15 -3.86 0.07 0.00 -1.43 0.00 0.00 32.58 27.21 2kl8 s HIS 81 CO 0.09 -2.77 -0.04 -3.38 -2.00 0.00 0.00 174.74 166.64 2kl8 s HIS 82 N -0.13 3.15 -0.21 0.38 -3.43 -1.26 -5.09 115.29 108.71 2kl8 s HIS 82 Ca 0.59 -2.38 0.01 0.00 -0.80 0.00 0.00 55.06 52.47 2kl8 s HIS 82 Cb -0.43 -2.15 0.05 0.00 -1.43 0.00 0.00 32.58 28.62 2kl8 s HIS 82 CO 0.45 -0.88 -0.08 -1.58 -2.00 0.00 0.00 174.74 170.65 2kl8 s HIS 83 N 1.13 2.34 0.64 0.38 2.46 -1.26 -5.13 115.29 115.86 2kl8 s HIS 83 Ca -0.01 -1.59 -0.11 0.00 0.47 0.00 0.00 55.06 53.82 2kl8 s HIS 83 Cb -0.19 -1.59 -0.02 0.00 -0.13 0.00 0.00 32.58 30.64 2kl8 s HIS 83 CO -0.07 -0.74 1.04 -1.58 -2.47 0.00 0.00 174.74 170.92 2kl8 s HIS 84 N 1.42 3.43 -2.10 3.88 2.46 -1.26 -5.36 115.29 117.76 2kl8 s HIS 84 Ca -0.02 1.35 0.17 0.00 0.47 0.00 0.00 55.06 57.02 2kl8 s HIS 84 Cb -0.17 -2.78 0.13 0.00 -0.13 0.00 0.00 32.58 29.63 2kl8 s HIS 84 CO -0.08 -0.89 1.03 1.58 -2.47 0.00 0.00 174.74 173.92