#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 2.01 -0.24 0.03 2.02 -1.23 -1.40 118.70 119.89 2kl8 s GLU 2 Ca 0.00 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 2kl8 s GLU 2 Cb 0.00 -2.21 0.07 0.00 0.10 0.00 0.00 34.13 32.09 2kl8 s GLU 2 CO 0.00 0.51 0.02 1.41 0.02 0.00 0.00 175.26 177.22 2kl8 s MET 3 N -1.88 1.02 -0.61 1.61 1.75 -0.30 -1.00 119.30 119.89 2kl8 s MET 3 Ca 0.18 -0.79 -0.27 0.00 -1.25 0.00 0.00 55.69 53.56 2kl8 s MET 3 Cb -0.11 -2.28 0.03 0.00 2.84 0.00 0.00 34.83 35.32 2kl8 s MET 3 CO 0.09 -0.71 1.14 -0.51 -0.65 0.00 0.00 175.02 174.38 2kl8 s ASP 4 N 1.62 6.35 -0.36 1.11 1.11 0.21 -1.36 116.67 125.36 2kl8 s ASP 4 Ca -0.00 -0.16 -0.08 0.00 0.18 0.00 0.00 52.55 52.49 2kl8 s ASP 4 Cb -0.18 -2.52 0.04 0.00 1.07 0.00 0.00 42.92 41.33 2kl8 s ASP 4 CO -0.11 -1.49 0.15 -0.63 1.18 0.00 0.00 175.17 174.28 2kl8 s ILE 5 N 4.82 4.06 -0.43 0.77 1.01 0.16 -0.39 121.20 131.21 2kl8 s ILE 5 Ca 0.37 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 2kl8 s ILE 5 Cb -0.09 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.12 2kl8 s ILE 5 CO 0.21 -0.23 0.32 -0.13 0.00 0.00 0.00 174.94 175.11 2kl8 s ARG 6 N 1.45 2.89 0.05 2.79 3.00 0.41 -0.77 118.95 128.78 2kl8 s ARG 6 Ca -0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 55.73 54.28 2kl8 s ARG 6 Cb -0.20 -3.98 -0.06 0.00 0.00 0.00 0.00 34.95 30.71 2kl8 s ARG 6 CO 0.04 -0.90 0.58 -0.06 0.00 0.00 0.00 175.30 174.96 2kl8 s PHE 7 N 1.60 3.78 -0.06 -0.53 0.08 -0.55 -1.59 117.98 120.72 2kl8 s PHE 7 Ca 0.04 1.26 -0.02 0.00 0.12 0.00 0.00 56.93 58.33 2kl8 s PHE 7 Cb -0.22 -2.54 0.03 0.00 -0.57 0.00 0.00 43.02 39.72 2kl8 s PHE 7 CO 0.07 0.52 0.03 0.50 -0.10 0.00 0.00 175.22 176.23 2kl8 s ARG 8 N -0.85 0.30 -0.12 0.44 3.52 0.50 -0.14 118.95 122.59 2kl8 s ARG 8 Ca 0.30 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.82 2kl8 s ARG 8 Cb -0.19 -0.76 0.11 0.00 -1.56 0.00 0.00 34.95 32.55 2kl8 s ARG 8 CO 0.19 -0.31 0.88 0.20 -0.81 0.00 0.00 175.30 175.44 2kl8 s GLY 9 N 2.03 -0.38 -0.11 8.12 0.00 -1.11 -1.95 107.32 113.91 2kl8 s GLY 9 Ca 0.05 1.79 0.04 0.00 0.00 0.00 0.00 44.72 46.59 2kl8 s GLY 9 CO -0.04 1.04 1.08 1.22 0.00 0.00 0.00 173.10 176.40 2kl8 n ASP 10 N 0.87 2.90 -4.14 1.64 8.00 -1.26 -4.83 116.55 119.73 2kl8 n ASP 10 Ca -0.14 -2.42 -0.33 0.00 0.71 0.00 0.00 54.79 52.62 2kl8 n ASP 10 Cb 0.57 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.93 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 -0.10 3.19 0.14 -2.24 -1.08 -1.26 -5.02 116.67 110.30 2kl8 s ASP 11 Ca 0.20 -0.63 -0.08 0.00 -0.52 0.00 0.00 52.55 51.52 2kl8 s ASP 11 Cb 0.16 -1.49 -0.03 0.00 -1.46 0.00 0.00 42.92 40.09 2kl8 s ASP 11 CO 0.05 0.01 1.41 0.25 0.52 0.00 0.00 175.17 177.41 2kl8 h LEU 12 N 7.85 0.81 -0.64 -1.34 5.85 -2.01 -2.80 115.31 123.03 2kl8 h LEU 12 Ca -0.44 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 57.73 2kl8 h LEU 12 Cb 1.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2kl8 h LEU 12 CO 0.62 1.24 0.08 -0.33 -0.34 0.00 0.00 178.44 179.72 2kl8 h GLU 13 N 0.51 1.07 -0.72 1.25 3.07 -2.00 -2.81 114.58 114.95 2kl8 h GLU 13 Ca -0.01 -0.30 0.05 0.00 -0.50 0.00 0.00 59.36 58.60 2kl8 h GLU 13 Cb 1.24 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.98 2kl8 h GLU 13 CO 0.13 1.00 0.43 0.00 -1.40 0.00 0.00 179.01 179.17 2kl8 h ALA 14 N 1.03 0.96 -0.23 3.43 0.00 -1.98 -2.09 119.26 120.38 2kl8 h ALA 14 Ca 0.19 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2kl8 h ALA 14 Cb 0.47 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2kl8 h ALA 14 CO 0.02 0.15 -0.34 0.35 0.00 0.00 0.00 179.25 179.42 2kl8 h PHE 15 N 0.80 -0.96 0.56 0.00 3.57 -1.24 -1.12 116.94 118.54 2kl8 h PHE 15 Ca 0.31 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 2kl8 h PHE 15 Cb 0.13 0.46 0.01 0.00 2.79 0.00 0.00 35.95 39.34 2kl8 h PHE 15 CO -0.06 -0.41 -0.27 1.49 -2.23 0.00 0.00 178.31 176.84 2kl8 h GLU 16 N -0.36 -0.72 -0.06 1.11 4.81 -1.36 -2.70 114.58 115.29 2kl8 h GLU 16 Ca 0.12 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2kl8 h GLU 16 Cb 0.56 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2kl8 h GLU 16 CO -0.43 -0.43 0.03 0.87 -0.73 0.00 0.00 179.01 178.32 2kl8 h LYS 17 N -0.88 0.09 -0.16 1.92 1.79 -1.33 0.20 116.57 118.20 2kl8 h LYS 17 Ca -0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2kl8 h LYS 17 Cb 0.62 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2kl8 h LYS 17 CO 0.13 0.16 0.10 0.00 -1.08 0.00 0.00 179.45 178.75 2kl8 h ALA 18 N 0.93 0.20 -0.55 3.86 0.00 -1.31 -1.96 119.26 120.43 2kl8 h ALA 18 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kl8 h ALA 18 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kl8 h ALA 18 CO -0.00 -0.30 0.25 1.25 0.00 0.00 0.00 179.25 180.44 2kl8 h LEU 19 N 0.20 0.74 -0.30 0.00 5.85 -1.39 -2.98 115.31 117.43 2kl8 h LEU 19 Ca 0.06 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2kl8 h LEU 19 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2kl8 h LEU 19 CO -0.01 0.68 0.12 0.50 -0.34 0.00 0.00 178.44 179.39 2kl8 h LYS 20 N 0.75 0.26 -0.18 1.25 1.63 -0.34 -1.85 116.57 118.09 2kl8 h LYS 20 Ca 0.19 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 2kl8 h LYS 20 Cb 0.15 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2kl8 h LYS 20 CO -0.02 0.17 -0.24 0.93 -3.45 0.00 0.00 179.45 176.84 2kl8 h GLU 21 N 0.26 0.34 -0.15 1.90 4.39 -1.36 0.12 114.58 120.08 2kl8 h GLU 21 Ca 0.13 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kl8 h GLU 21 Cb 0.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2kl8 h GLU 21 CO -0.12 0.56 0.00 0.52 -1.16 0.00 0.00 179.01 178.82 2kl8 h MET 22 N 0.30 0.26 -0.62 2.33 2.86 -1.31 -2.60 114.93 116.15 2kl8 h MET 22 Ca 0.05 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2kl8 h MET 22 Cb 0.60 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2kl8 h MET 22 CO 0.04 0.48 0.04 0.82 1.06 0.00 0.00 176.91 179.35 2kl8 h ILE 23 N 0.01 1.26 -0.61 -1.22 2.04 -1.16 -1.69 117.51 116.14 2kl8 h ILE 23 Ca 0.04 -1.10 0.08 0.00 1.00 0.00 0.00 64.86 64.89 2kl8 h ILE 23 Cb 0.36 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2kl8 h ILE 23 CO 0.01 0.40 0.25 -0.09 0.00 0.00 0.00 178.15 178.72 2kl8 h ARG 24 N 0.98 0.44 -0.09 2.37 2.43 -0.71 0.23 114.38 120.03 2kl8 h ARG 24 Ca 0.18 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2kl8 h ARG 24 Cb 0.51 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2kl8 h ARG 24 CO 0.02 0.29 -0.28 1.96 -1.51 0.00 0.00 179.97 180.46 2kl8 h GLN 25 N 0.45 0.34 -0.61 0.20 4.20 -1.37 -3.26 115.11 115.07 2kl8 h GLN 25 Ca 0.30 -0.25 0.06 0.00 0.06 0.00 0.00 58.65 58.82 2kl8 h GLN 25 Cb 0.33 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2kl8 h GLN 25 CO -0.27 0.87 0.40 0.00 -0.67 0.00 0.00 178.83 179.16 2kl8 h ALA 26 N 0.47 1.80 -0.14 3.87 0.00 -0.94 -0.78 119.26 123.54 2kl8 h ALA 26 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kl8 h ALA 26 Cb 0.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kl8 h ALA 26 CO 0.06 0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.52 2kl8 h ARG 27 N 0.61 0.00 -0.23 0.00 3.08 -1.00 -0.99 114.38 115.85 2kl8 h ARG 27 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 2kl8 h ARG 27 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2kl8 h ARG 27 CO -0.08 0.00 -0.20 0.87 -1.07 0.00 0.00 179.97 179.50 2kl8 h LYS 28 N 0.00 0.40 0.00 0.04 1.57 -1.24 -3.45 116.57 113.89 2kl8 h LYS 28 Ca 0.06 -0.13 -0.39 0.00 -1.87 0.00 0.00 60.65 58.32 2kl8 h LYS 28 Cb 0.28 -0.04 0.04 0.00 0.08 0.00 0.00 32.23 32.60 2kl8 h LYS 28 CO -0.00 0.58 0.01 1.19 -0.57 0.00 0.00 179.45 180.67 2kl8 n PHE 29 N -4.17 -2.69 1.44 -1.35 3.72 -0.37 -5.01 117.46 109.03 2kl8 n PHE 29 Ca -0.00 -1.62 0.10 0.00 -0.05 0.00 0.00 57.45 55.88 2kl8 n PHE 29 Cb 0.35 -0.52 0.43 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.66 2.55 -1.92 4.37 0.00 -1.26 -4.93 120.51 116.65 2kl8 n ALA 30 Ca -0.12 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 2kl8 n ALA 30 Cb 0.49 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.59 1.67 0.04 0.00 0.00 -1.22 -4.96 107.32 101.26 2kl8 s GLY 31 Ca 0.31 -0.12 0.09 0.00 0.00 0.00 0.00 44.72 45.00 2kl8 s GLY 31 CO 0.25 0.13 -0.24 -1.59 0.00 0.00 0.00 173.10 171.65 2kl8 s THR 32 N -3.09 2.29 -0.16 0.90 2.01 -0.41 -4.72 115.64 112.47 2kl8 s THR 32 Ca 0.54 -1.34 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2kl8 s THR 32 Cb -0.11 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2kl8 s THR 32 CO 0.51 0.36 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.94 2kl8 s VAL 33 N -0.83 2.44 0.10 3.82 1.01 -1.26 -0.96 120.40 124.72 2kl8 s VAL 33 Ca 0.12 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.36 2kl8 s VAL 33 Cb -0.10 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2kl8 s VAL 33 CO 0.03 0.52 -0.23 0.28 0.00 0.00 0.00 175.10 175.70 2kl8 s THR 34 N 0.90 2.50 -0.15 3.92 -1.32 -0.75 -5.00 115.64 115.74 2kl8 s THR 34 Ca -0.04 -1.56 -0.13 0.00 -1.21 0.00 0.00 61.69 58.75 2kl8 s THR 34 Cb -0.15 -2.10 0.04 0.00 -1.51 0.00 0.00 72.50 68.78 2kl8 s THR 34 CO -0.02 0.16 0.39 -0.72 -2.21 0.00 0.00 174.62 172.21 2kl8 s TYR 35 N -1.04 -0.45 -0.15 9.09 1.13 -1.26 -0.43 117.35 124.24 2kl8 s TYR 35 Ca 0.15 1.06 0.00 0.00 -1.41 0.00 0.00 57.07 56.88 2kl8 s TYR 35 Cb -0.10 0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2kl8 s TYR 35 CO 0.07 -0.22 -0.15 0.95 -2.51 0.00 0.00 175.55 173.68 2kl8 s THR 36 N 0.41 1.64 -0.58 -3.49 -4.23 -0.29 -4.97 115.64 104.14 2kl8 s THR 36 Ca -0.02 -0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 2kl8 s THR 36 Cb -0.04 -1.54 0.09 0.00 1.34 0.00 0.00 72.50 72.35 2kl8 s THR 36 CO -0.02 0.46 0.72 -0.22 -0.54 0.00 0.00 174.62 175.02 2kl8 s LEU 37 N 1.46 5.15 -0.64 4.79 2.96 -1.26 -1.18 118.68 129.96 2kl8 s LEU 37 Ca 0.05 -1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 52.56 2kl8 s LEU 37 Cb -0.13 -2.36 0.15 0.00 0.50 0.00 0.00 46.19 44.35 2kl8 s LEU 37 CO -0.11 -1.10 0.62 -0.62 -1.32 0.00 0.00 176.35 173.82 2kl8 s ASP 38 N 3.39 6.37 0.02 3.68 2.15 0.11 -4.91 116.67 127.48 2kl8 s ASP 38 Ca 0.14 -2.01 0.00 0.00 0.43 0.00 0.00 52.55 51.11 2kl8 s ASP 38 Cb -0.22 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2kl8 s ASP 38 CO 0.08 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 2kl8 n GLY 39 N 4.90 0.76 0.02 2.66 0.00 -1.26 -1.14 105.19 111.12 2kl8 n GLY 39 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 3.97 0.93 -4.49 1.61 3.02 -1.26 -5.00 115.26 114.04 2kl8 n ASN 40 Ca 0.00 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.22 2kl8 n ASN 40 Cb 0.00 0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.14 5.30 -0.51 6.41 1.11 -0.29 -2.77 116.67 125.78 2kl8 s ASP 41 Ca 0.01 -0.14 -0.12 0.00 0.18 0.00 0.00 52.55 52.48 2kl8 s ASP 41 Cb 0.00 -1.95 0.13 0.00 1.07 0.00 0.00 42.92 42.17 2kl8 s ASP 41 CO 0.01 0.00 0.42 -0.22 1.18 0.00 0.00 175.17 176.56 2kl8 s LEU 42 N 1.41 5.92 -0.59 1.23 2.96 0.80 0.08 118.68 130.48 2kl8 s LEU 42 Ca 0.06 -1.89 -0.25 0.00 -0.22 0.00 0.00 54.13 51.82 2kl8 s LEU 42 Cb -0.15 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.49 2kl8 s LEU 42 CO 0.04 -0.75 1.00 -1.61 -1.32 0.00 0.00 176.35 173.71 2kl8 s GLU 43 N 1.41 3.31 -0.13 1.98 2.02 -0.32 -1.48 118.70 125.49 2kl8 s GLU 43 Ca 0.05 -0.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.71 2kl8 s GLU 43 Cb -0.27 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.83 2kl8 s GLU 43 CO 0.01 -1.61 0.07 0.42 0.02 0.00 0.00 175.26 174.16 2kl8 s ILE 44 N 4.23 4.88 -0.18 -1.63 1.01 0.05 -1.13 121.20 128.43 2kl8 s ILE 44 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2kl8 s ILE 44 Cb -0.12 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.26 2kl8 s ILE 44 CO 0.18 0.56 -0.10 -0.13 0.00 0.00 0.00 174.94 175.45 2kl8 s ARG 45 N -0.49 1.94 -0.33 2.79 0.52 0.43 0.41 118.95 124.22 2kl8 s ARG 45 Ca 0.10 -0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 2kl8 s ARG 45 Cb -0.12 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.06 2kl8 s ARG 45 CO 0.02 -0.40 0.21 0.42 0.02 0.00 0.00 175.30 175.57 2kl8 s ILE 46 N 1.46 5.03 -0.24 1.52 1.01 -0.47 -1.81 121.20 127.70 2kl8 s ILE 46 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 2kl8 s ILE 46 Cb -0.15 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2kl8 s ILE 46 CO -0.08 0.01 0.14 -0.89 0.00 0.00 0.00 174.94 174.12 2kl8 s THR 47 N 1.68 5.11 0.00 2.92 2.01 -0.13 -1.15 115.64 126.08 2kl8 s THR 47 Ca 0.05 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2kl8 s THR 47 Cb -0.17 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2kl8 s THR 47 CO 0.09 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2kl8 n GLY 48 N 4.47 0.59 3.42 4.40 0.00 -0.49 -1.29 105.19 116.29 2kl8 n GLY 48 Ca -0.15 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.49 3.10 0.07 1.61 -7.23 -1.22 -3.40 120.40 110.84 2kl8 s VAL 49 Ca 0.00 -0.67 -0.31 0.00 -1.81 0.00 0.00 61.98 59.19 2kl8 s VAL 49 Cb 0.00 -2.27 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 2kl8 s VAL 49 CO 0.00 0.55 1.60 -2.16 -0.31 0.00 0.00 175.10 174.78 2kl8 s PRO 50 N -0.07 4.21 0.42 4.82 0.04 -1.26 -4.88 135.00 138.28 2kl8 s PRO 50 Ca -0.02 2.28 0.15 0.00 0.04 0.00 0.00 61.00 63.45 2kl8 s PRO 50 Cb -0.14 -3.54 1.02 0.00 0.04 0.00 0.00 34.50 31.89 2kl8 s PRO 50 CO 0.04 -0.69 1.93 1.05 0.04 0.00 0.00 177.00 179.36 2kl8 h GLU 51 N 8.05 0.43 -0.76 4.56 4.11 -1.99 0.04 114.58 129.02 2kl8 h GLU 51 Ca -0.42 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 58.93 2kl8 h GLU 51 Cb 1.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2kl8 h GLU 51 CO 0.92 0.29 0.25 -0.56 0.07 0.00 0.00 179.01 179.98 2kl8 h GLN 52 N 0.45 1.18 0.00 1.06 3.07 -2.05 -2.96 115.11 115.86 2kl8 h GLN 52 Ca 0.36 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.85 2kl8 h GLN 52 Cb 0.78 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.16 2kl8 h GLN 52 CO -0.12 0.99 -0.64 0.28 0.09 0.00 0.00 178.83 179.43 2kl8 h VAL 53 N 1.13 0.00 -1.05 1.86 2.07 -1.60 -3.36 116.25 115.30 2kl8 h VAL 53 Ca 0.25 -0.91 0.27 0.00 0.82 0.00 0.00 66.70 67.13 2kl8 h VAL 53 Cb 0.30 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 2kl8 h VAL 53 CO -0.01 0.00 0.67 -0.09 0.02 0.00 0.00 177.57 178.16 2kl8 h ARG 54 N 0.00 0.37 -0.83 1.57 2.43 -0.86 0.23 114.38 117.29 2kl8 h ARG 54 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2kl8 h ARG 54 Cb 0.95 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 2kl8 h ARG 54 CO 0.00 0.25 0.47 1.57 -1.51 0.00 0.00 179.97 180.74 2kl8 h LYS 55 N 0.38 1.15 -0.23 0.20 2.10 -1.72 0.80 116.57 119.26 2kl8 h LYS 55 Ca 0.60 -0.13 -0.14 0.00 -2.00 0.00 0.00 60.65 58.98 2kl8 h LYS 55 Cb 1.53 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 2kl8 h LYS 55 CO -0.30 0.84 -0.43 0.93 -2.00 0.00 0.00 179.45 178.49 2kl8 h GLU 56 N 1.15 0.56 -0.45 0.07 4.39 -0.84 -0.44 114.58 119.03 2kl8 h GLU 56 Ca 0.29 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2kl8 h GLU 56 Cb 0.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kl8 h GLU 56 CO -0.05 0.89 0.06 -0.07 -1.16 0.00 0.00 179.01 178.68 2kl8 h LEU 57 N 0.46 0.73 -0.80 1.33 3.38 -0.88 0.11 115.31 119.64 2kl8 h LEU 57 Ca 0.03 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2kl8 h LEU 57 Cb 0.94 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2kl8 h LEU 57 CO 0.08 0.82 0.23 0.00 0.09 0.00 0.00 178.44 179.67 2kl8 h ALA 58 N 0.94 1.03 0.06 1.53 0.00 -0.75 -0.07 119.26 121.99 2kl8 h ALA 58 Ca 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kl8 h ALA 58 Cb 0.41 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kl8 h ALA 58 CO 0.01 0.65 -0.04 -0.22 0.00 0.00 0.00 179.25 179.66 2kl8 h LYS 59 N 1.08 -0.10 -0.31 0.00 3.64 -0.83 -3.20 116.57 116.86 2kl8 h LYS 59 Ca 0.24 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 2kl8 h LYS 59 Cb 0.29 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2kl8 h LYS 59 CO -0.01 -0.06 -0.40 1.49 -2.27 0.00 0.00 179.45 178.20 2kl8 h GLU 60 N -0.10 0.74 -0.28 1.90 4.57 -0.57 -1.13 114.58 119.72 2kl8 h GLU 60 Ca -0.00 -0.39 0.06 0.00 -1.18 0.00 0.00 59.36 57.86 2kl8 h GLU 60 Cb 0.09 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 2kl8 h GLU 60 CO -0.00 1.01 -0.18 0.00 -1.18 0.00 0.00 179.01 178.66 2kl8 h ALA 61 N 0.94 0.02 -0.03 2.92 0.00 -1.04 0.11 119.26 122.18 2kl8 h ALA 61 Ca 0.05 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2kl8 h ALA 61 Cb 0.94 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2kl8 h ALA 61 CO 0.09 -0.58 -0.66 0.93 0.00 0.00 0.00 179.25 179.03 2kl8 h GLU 62 N -0.15 0.12 -0.25 0.00 5.08 -1.54 -3.16 114.58 114.68 2kl8 h GLU 62 Ca 0.15 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2kl8 h GLU 62 Cb 0.38 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2kl8 h GLU 62 CO -0.37 0.74 0.06 -0.09 -1.00 0.00 0.00 179.01 178.34 2kl8 h ARG 63 N 0.09 0.15 -0.53 2.33 1.12 -0.09 -0.70 114.38 116.74 2kl8 h ARG 63 Ca -0.01 -0.01 0.10 0.00 -1.11 0.00 0.00 59.98 58.94 2kl8 h ARG 63 Cb 1.17 -0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 31.02 2kl8 h ARG 63 CO 0.09 0.10 0.10 -0.07 -3.11 0.00 0.00 179.97 177.09 2kl8 h LEU 64 N 0.16 -0.01 -0.82 3.80 3.38 -0.85 -1.64 115.31 119.32 2kl8 h LEU 64 Ca 0.11 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2kl8 h LEU 64 Cb 0.11 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2kl8 h LEU 64 CO -0.14 0.02 0.51 0.00 0.09 0.00 0.00 178.44 178.92 2kl8 h ALA 65 N 1.42 1.11 0.00 1.53 0.00 -1.34 -2.08 119.26 119.90 2kl8 h ALA 65 Ca 0.27 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2kl8 h ALA 65 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kl8 h ALA 65 CO -0.36 0.29 -0.29 0.87 0.00 0.00 0.00 179.25 179.76 2kl8 h LYS 66 N 0.97 0.00 -0.05 0.00 1.57 -0.36 0.63 116.57 119.33 2kl8 h LYS 66 Ca 0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2kl8 h LYS 66 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kl8 h LYS 66 CO -0.15 0.29 -0.03 0.93 -0.57 0.00 0.00 179.45 179.92 2kl8 h GLU 67 N 0.00 0.10 -0.10 3.15 4.39 -0.66 -3.31 114.58 118.15 2kl8 h GLU 67 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kl8 h GLU 67 Cb 0.65 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2kl8 h GLU 67 CO 0.04 0.50 0.00 1.19 -1.16 0.00 0.00 179.01 179.58 2kl8 n PHE 68 N -4.81 0.11 -2.06 4.33 3.72 -0.95 -4.95 117.46 112.86 2kl8 n PHE 68 Ca -0.07 -0.05 -0.19 0.00 -0.05 0.00 0.00 57.45 57.08 2kl8 n PHE 68 Cb 0.25 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.95 -5.45 -4.97 4.37 3.02 0.21 -4.99 115.26 108.39 2kl8 n ASN 69 Ca 0.16 0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.68 2kl8 n ASN 69 Cb 0.51 -4.55 0.02 0.00 -0.61 0.00 0.00 39.78 35.15 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 -2.87 2.26 -0.07 2.41 -5.25 -0.57 -5.00 121.20 112.11 2kl8 s ILE 70 Ca 0.00 -1.18 -0.10 0.00 -0.99 0.00 0.00 60.65 58.38 2kl8 s ILE 70 Cb 0.00 -2.44 -0.05 0.00 2.95 0.00 0.00 42.46 42.92 2kl8 s ILE 70 CO 0.00 0.00 0.25 -0.89 -1.79 0.00 0.00 174.94 172.51 2kl8 s THR 71 N -2.60 5.32 -0.09 8.37 2.01 -0.82 -4.65 115.64 123.17 2kl8 s THR 71 Ca 0.51 0.46 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 2kl8 s THR 71 Cb -0.05 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.96 2kl8 s THR 71 CO 0.32 0.60 0.23 0.54 -0.69 0.00 0.00 174.62 175.62 2kl8 s VAL 72 N -1.01 -0.01 -0.02 3.82 0.11 -1.26 -0.37 120.40 121.66 2kl8 s VAL 72 Ca 0.18 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 2kl8 s VAL 72 Cb -0.14 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2kl8 s VAL 72 CO 0.08 0.02 -0.15 0.42 -3.33 0.00 0.00 175.10 172.14 2kl8 s THR 73 N 0.43 1.16 -0.14 5.04 -4.23 -0.62 -4.98 115.64 112.31 2kl8 s THR 73 Ca -0.03 -0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2kl8 s THR 73 Cb -0.04 -0.98 0.03 0.00 1.34 0.00 0.00 72.50 72.85 2kl8 s THR 73 CO -0.02 0.33 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.57 2kl8 s TYR 74 N -0.26 1.81 -0.10 3.99 1.13 -1.25 -0.45 117.35 122.22 2kl8 s TYR 74 Ca 0.04 -1.00 -0.04 0.00 -1.41 0.00 0.00 57.07 54.66 2kl8 s TYR 74 Cb -0.07 -1.40 -0.04 0.00 -1.10 0.00 0.00 41.96 39.36 2kl8 s TYR 74 CO -0.00 -0.59 0.07 0.99 -2.51 0.00 0.00 175.55 173.50 2kl8 s THR 75 N 1.60 4.89 -0.06 -3.49 2.01 0.48 -4.94 115.64 116.13 2kl8 s THR 75 Ca 0.04 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2kl8 s THR 75 Cb -0.13 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.30 2kl8 s THR 75 CO -0.09 0.61 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.73 2kl8 s ILE 76 N -0.93 0.87 -0.56 1.82 1.01 -1.26 0.66 121.20 122.81 2kl8 s ILE 76 Ca 0.14 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 2kl8 s ILE 76 Cb -0.12 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.55 2kl8 s ILE 76 CO 0.03 0.30 0.96 -0.13 0.00 0.00 0.00 174.94 176.11 2kl8 s ARG 77 N 0.91 3.34 -0.24 2.79 0.52 -0.17 -4.99 118.95 121.12 2kl8 s ARG 77 Ca -0.11 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.77 2kl8 s ARG 77 Cb -0.15 -4.05 -0.05 0.00 0.52 0.00 0.00 34.95 31.22 2kl8 s ARG 77 CO 0.01 -1.51 0.15 -1.17 0.02 0.00 0.00 175.30 172.80 2kl8 s LEU 78 N 4.04 4.03 -0.54 2.53 0.20 -1.26 -3.48 118.68 124.19 2kl8 s LEU 78 Ca 0.31 0.08 -0.21 0.00 0.69 0.00 0.00 54.13 55.00 2kl8 s LEU 78 Cb -0.12 -2.08 0.06 0.00 -0.43 0.00 0.00 46.19 43.62 2kl8 s LEU 78 CO 0.20 0.06 0.76 -1.61 -0.29 0.00 0.00 176.35 175.47 2kl8 s GLU 79 N 1.07 3.18 0.02 1.98 2.02 -1.26 -5.04 118.70 120.67 2kl8 s GLU 79 Ca 0.07 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.42 2kl8 s GLU 79 Cb -0.14 -4.10 -0.02 0.00 0.10 0.00 0.00 34.13 29.97 2kl8 s GLU 79 CO 0.04 -1.38 -0.21 -1.58 0.02 0.00 0.00 175.26 172.16 2kl8 s HIS 80 N 3.18 1.85 0.08 1.61 2.46 -1.26 -5.11 115.29 118.10 2kl8 s HIS 80 Ca 0.20 -0.37 -0.23 0.00 0.47 0.00 0.00 55.06 55.14 2kl8 s HIS 80 Cb -0.17 -1.13 -0.06 0.00 -0.13 0.00 0.00 32.58 31.08 2kl8 s HIS 80 CO 0.14 0.05 0.70 -1.01 -2.47 0.00 0.00 174.74 172.15 2kl8 s HIS 81 N -0.69 3.80 -0.24 3.88 3.76 -1.26 -5.06 115.29 119.47 2kl8 s HIS 81 Ca 0.08 1.44 -0.03 0.00 -0.15 0.00 0.00 55.06 56.40 2kl8 s HIS 81 Cb -0.09 -2.70 0.10 0.00 1.11 0.00 0.00 32.58 31.01 2kl8 s HIS 81 CO 0.01 0.43 0.22 -1.58 -0.85 0.00 0.00 174.74 172.96 2kl8 s HIS 82 N -0.64 -0.20 0.45 1.40 5.04 -1.26 -5.15 115.29 114.93 2kl8 s HIS 82 Ca 0.34 -0.12 -0.19 0.00 -1.54 0.00 0.00 55.06 53.55 2kl8 s HIS 82 Cb -0.21 -0.51 -0.10 0.00 0.04 0.00 0.00 32.58 31.80 2kl8 s HIS 82 CO 0.22 -0.73 0.94 -1.01 -2.34 0.00 0.00 174.74 171.83 2kl8 s HIS 83 N 2.28 3.35 -0.13 3.88 3.76 -1.26 -5.09 115.29 122.09 2kl8 s HIS 83 Ca 0.08 1.54 -0.10 0.00 -0.15 0.00 0.00 55.06 56.43 2kl8 s HIS 83 Cb -0.15 -2.81 0.04 0.00 1.11 0.00 0.00 32.58 30.76 2kl8 s HIS 83 CO -0.22 -0.17 0.33 -1.58 -0.85 0.00 0.00 174.74 172.25 2kl8 s HIS 84 N -2.29 -0.40 -2.41 1.40 5.04 -1.26 -5.36 115.29 110.03 2kl8 s HIS 84 Ca 0.61 0.93 0.29 0.00 -1.54 0.00 0.00 55.06 55.35 2kl8 s HIS 84 Cb -0.09 0.14 1.21 0.00 0.04 0.00 0.00 32.58 33.87 2kl8 s HIS 84 CO 0.18 -0.21 1.84 1.58 -2.34 0.00 0.00 174.74 175.79