#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 0.34 -0.20 0.03 -6.30 -1.26 -2.83 118.70 108.48 2kl8 s GLU 2 Ca 0.00 0.04 -0.01 0.00 -2.50 0.00 0.00 54.97 52.49 2kl8 s GLU 2 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 34.13 33.65 2kl8 s GLU 2 CO 0.00 -0.11 -0.12 1.41 0.02 0.00 0.00 175.26 176.46 2kl8 s MET 3 N 0.88 3.19 -0.27 4.30 -2.45 -0.61 -2.54 119.30 121.80 2kl8 s MET 3 Ca -0.09 -0.73 -0.13 0.00 -1.25 0.00 0.00 55.69 53.49 2kl8 s MET 3 Cb -0.12 -2.79 -0.04 0.00 1.25 0.00 0.00 34.83 33.13 2kl8 s MET 3 CO -0.01 -0.19 0.28 -0.51 1.05 0.00 0.00 175.02 175.63 2kl8 s ASP 4 N 1.36 6.15 -0.01 1.11 1.11 -0.95 -0.59 116.67 124.85 2kl8 s ASP 4 Ca 0.05 0.15 0.05 0.00 0.18 0.00 0.00 52.55 52.98 2kl8 s ASP 4 Cb -0.14 -2.16 -0.01 0.00 1.07 0.00 0.00 42.92 41.68 2kl8 s ASP 4 CO -0.08 -0.10 -0.17 -0.63 1.18 0.00 0.00 175.17 175.38 2kl8 s ILE 5 N 1.81 1.33 -0.05 0.77 1.01 0.31 -1.12 121.20 125.26 2kl8 s ILE 5 Ca 0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2kl8 s ILE 5 Cb -0.16 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.24 2kl8 s ILE 5 CO 0.10 0.37 0.03 -0.13 0.00 0.00 0.00 174.94 175.31 2kl8 s ARG 6 N -0.40 0.25 -0.03 2.79 0.52 -0.05 -0.21 118.95 121.82 2kl8 s ARG 6 Ca 0.06 0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.46 2kl8 s ARG 6 Cb -0.06 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 2kl8 s ARG 6 CO -0.01 -0.29 0.17 -0.06 0.02 0.00 0.00 175.30 175.13 2kl8 s PHE 7 N 1.89 3.54 -0.06 -0.53 0.40 -0.35 -0.60 117.98 122.28 2kl8 s PHE 7 Ca 0.02 0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.71 2kl8 s PHE 7 Cb -0.12 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2kl8 s PHE 7 CO -0.04 0.66 0.13 0.50 0.70 0.00 0.00 175.22 177.17 2kl8 s ARG 8 N -1.75 0.08 0.00 0.44 3.52 0.00 0.21 118.95 121.46 2kl8 s ARG 8 Ca 0.25 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.17 2kl8 s ARG 8 Cb -0.12 -0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.11 2kl8 s ARG 8 CO 0.16 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 2kl8 n GLY 9 N 4.03 -0.68 3.25 8.12 0.00 -1.02 -0.25 105.19 118.65 2kl8 n GLY 9 Ca -0.25 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 0.94 0.00 1.61 2.15 -1.26 -4.80 116.67 111.30 2kl8 s ASP 10 Ca 0.00 -1.55 0.00 0.00 0.43 0.00 0.00 52.55 51.43 2kl8 s ASP 10 Cb 0.00 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 2kl8 s ASP 10 CO 0.00 -0.93 0.00 -0.67 -0.17 0.00 0.00 175.17 173.40 2kl8 n ASP 11 N -0.85 -0.97 -0.02 -0.34 2.03 -1.26 -4.59 116.55 110.54 2kl8 n ASP 11 Ca 0.04 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.22 2kl8 n ASP 11 Cb 0.64 0.76 -0.09 0.00 -0.72 0.00 0.00 41.12 41.71 2kl8 n ASP 11 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kl8 h LEU 12 N 0.00 0.10 -1.57 -2.67 5.85 -2.01 -3.12 115.31 111.89 2kl8 h LEU 12 Ca 0.00 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2kl8 h LEU 12 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2kl8 h LEU 12 CO 0.00 0.51 0.29 -0.33 -0.34 0.00 0.00 178.44 178.58 2kl8 h GLU 13 N -0.32 0.58 -0.70 1.25 5.08 -1.99 -1.38 114.58 117.10 2kl8 h GLU 13 Ca 0.01 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2kl8 h GLU 13 Cb 0.48 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2kl8 h GLU 13 CO 0.01 0.38 0.32 0.00 -1.00 0.00 0.00 179.01 178.72 2kl8 h ALA 14 N 1.73 0.96 0.70 3.43 0.00 -1.79 0.19 119.26 124.48 2kl8 h ALA 14 Ca 0.16 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2kl8 h ALA 14 Cb -0.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kl8 h ALA 14 CO -0.04 -0.11 -0.34 0.35 0.00 0.00 0.00 179.25 179.11 2kl8 h PHE 15 N 0.53 -0.88 -0.55 0.00 3.57 -1.24 -2.58 116.94 115.79 2kl8 h PHE 15 Ca 0.36 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 2kl8 h PHE 15 Cb 0.43 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2kl8 h PHE 15 CO -0.13 -0.55 0.07 1.05 -2.23 0.00 0.00 178.31 176.53 2kl8 h GLU 16 N -1.23 0.91 -0.09 1.11 4.11 -1.26 -1.22 114.58 116.91 2kl8 h GLU 16 Ca -0.10 -0.25 -0.07 0.00 0.07 0.00 0.00 59.36 59.01 2kl8 h GLU 16 Cb 0.73 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2kl8 h GLU 16 CO 0.16 0.89 -0.20 0.87 0.07 0.00 0.00 179.01 180.80 2kl8 h LYS 17 N 0.80 0.30 -0.10 1.06 1.79 -0.76 -0.50 116.57 119.15 2kl8 h LYS 17 Ca 0.16 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2kl8 h LYS 17 Cb 0.43 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2kl8 h LYS 17 CO 0.01 0.80 0.06 0.00 -1.08 0.00 0.00 179.45 179.24 2kl8 h ALA 18 N 0.50 0.13 -0.63 3.86 0.00 -1.46 -1.17 119.26 120.49 2kl8 h ALA 18 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2kl8 h ALA 18 Cb 0.80 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2kl8 h ALA 18 CO 0.04 -0.35 0.38 1.25 0.00 0.00 0.00 179.25 180.57 2kl8 h LEU 19 N 0.09 0.61 -0.34 0.00 5.85 -1.28 -2.15 115.31 118.08 2kl8 h LEU 19 Ca 0.04 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kl8 h LEU 19 Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2kl8 h LEU 19 CO -0.01 0.42 0.12 0.50 -0.34 0.00 0.00 178.44 179.13 2kl8 h LYS 20 N 0.74 0.26 -0.89 1.25 1.63 -0.78 0.95 116.57 119.72 2kl8 h LYS 20 Ca 0.26 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.07 2kl8 h LYS 20 Cb 0.05 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 2kl8 h LYS 20 CO -0.12 0.17 0.59 0.93 -3.45 0.00 0.00 179.45 177.57 2kl8 h GLU 21 N 0.26 1.10 -0.42 1.90 4.39 -0.97 0.14 114.58 120.98 2kl8 h GLU 21 Ca 0.15 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 2kl8 h GLU 21 Cb 0.13 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2kl8 h GLU 21 CO -0.16 0.72 -0.20 0.52 -1.16 0.00 0.00 179.01 178.73 2kl8 h MET 22 N 1.13 0.82 -0.70 2.33 2.86 -0.69 -1.97 114.93 118.70 2kl8 h MET 22 Ca 0.35 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2kl8 h MET 22 Cb -0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2kl8 h MET 22 CO -0.10 0.95 0.16 0.82 1.06 0.00 0.00 176.91 179.80 2kl8 h ILE 23 N 0.72 1.26 -0.86 -1.22 2.04 -0.11 0.54 117.51 119.88 2kl8 h ILE 23 Ca 0.10 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.03 2kl8 h ILE 23 Cb 0.72 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2kl8 h ILE 23 CO 0.06 0.38 0.54 -0.09 0.00 0.00 0.00 178.15 179.03 2kl8 h ARG 24 N 1.06 0.97 -0.30 2.37 2.43 -0.49 -0.61 114.38 119.81 2kl8 h ARG 24 Ca 0.22 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2kl8 h ARG 24 Cb 0.39 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2kl8 h ARG 24 CO 0.00 0.64 0.01 1.96 -1.51 0.00 0.00 179.97 181.07 2kl8 h GLN 25 N 1.00 0.53 -0.67 0.20 4.20 -1.09 -3.20 115.11 116.08 2kl8 h GLN 25 Ca 0.37 -0.16 0.11 0.00 0.06 0.00 0.00 58.65 59.02 2kl8 h GLN 25 Cb 0.13 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2kl8 h GLN 25 CO -0.16 0.67 0.45 0.00 -0.67 0.00 0.00 178.83 179.11 2kl8 h ALA 26 N 0.84 1.97 0.00 3.87 0.00 0.10 0.34 119.26 126.38 2kl8 h ALA 26 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2kl8 h ALA 26 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kl8 h ALA 26 CO 0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 179.25 178.99 2kl8 h ARG 27 N 0.48 0.00 0.00 0.00 2.47 -1.14 -1.93 114.38 114.27 2kl8 h ARG 27 Ca 0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 2kl8 h ARG 27 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2kl8 h ARG 27 CO -0.10 0.14 0.00 0.87 0.56 0.00 0.00 179.97 181.45 2kl8 h LYS 28 N 0.00 0.00 -5.43 0.04 1.79 -1.03 -3.45 116.57 108.50 2kl8 h LYS 28 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 2kl8 h LYS 28 Cb 0.27 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.80 2kl8 h LYS 28 CO 0.02 0.00 -0.20 -0.06 -1.08 0.00 0.00 179.45 178.13 2kl8 s PHE 29 N -3.18 3.38 -1.42 -1.35 0.08 -0.72 -4.98 117.98 109.77 2kl8 s PHE 29 Ca 0.08 0.62 -0.09 0.00 0.12 0.00 0.00 56.93 57.65 2kl8 s PHE 29 Cb 0.07 -2.52 -0.10 0.00 -0.57 0.00 0.00 43.02 39.90 2kl8 s PHE 29 CO 0.64 -0.00 2.93 0.00 -0.10 0.00 0.00 175.22 178.69 2kl8 n ALA 30 N 4.45 7.18 -2.46 5.36 0.00 -1.26 -4.73 120.51 129.05 2kl8 n ALA 30 Ca -0.08 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.13 2kl8 n ALA 30 Cb 0.51 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 3.51 4.42 2.97 0.00 0.00 -1.26 -4.97 105.19 109.86 2kl8 n GLY 31 Ca 0.72 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 1.38 -0.00 -0.04 2.61 2.01 -0.58 -5.03 115.64 115.98 2kl8 s THR 32 Ca 0.00 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.08 2kl8 s THR 32 Cb 0.00 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 2kl8 s THR 32 CO 0.00 0.01 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.01 2kl8 s VAL 33 N 0.14 1.88 0.13 3.82 1.01 -1.26 -0.37 120.40 125.76 2kl8 s VAL 33 Ca -0.01 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.08 2kl8 s VAL 33 Cb -0.02 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2kl8 s VAL 33 CO -0.00 0.53 -0.21 0.42 0.00 0.00 0.00 175.10 175.84 2kl8 s THR 34 N -0.28 2.65 -0.22 3.92 -4.23 0.13 -4.99 115.64 112.63 2kl8 s THR 34 Ca 0.01 -1.65 -0.14 0.00 -1.18 0.00 0.00 61.69 58.73 2kl8 s THR 34 Cb -0.12 -2.22 0.07 0.00 1.34 0.00 0.00 72.50 71.57 2kl8 s THR 34 CO 0.02 0.06 0.56 -0.72 -0.54 0.00 0.00 174.62 173.99 2kl8 s TYR 35 N -1.23 -0.80 -0.00 3.99 1.13 -1.25 -1.26 117.35 117.93 2kl8 s TYR 35 Ca 0.18 1.69 0.01 0.00 -1.41 0.00 0.00 57.07 57.54 2kl8 s TYR 35 Cb -0.10 0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 41.17 2kl8 s TYR 35 CO 0.09 -0.41 -0.03 -0.08 -2.51 0.00 0.00 175.55 172.61 2kl8 s THR 36 N 1.29 0.28 -0.00 -3.49 -1.32 -0.61 -4.99 115.64 106.79 2kl8 s THR 36 Ca -0.08 -0.14 -0.13 0.00 -1.21 0.00 0.00 61.69 60.13 2kl8 s THR 36 Cb -0.06 -0.24 -0.06 0.00 -1.51 0.00 0.00 72.50 70.63 2kl8 s THR 36 CO -0.13 0.08 0.38 -0.76 -2.21 0.00 0.00 174.62 171.98 2kl8 s LEU 37 N -0.04 4.45 -0.38 9.08 2.01 -1.26 -1.41 118.68 131.13 2kl8 s LEU 37 Ca 0.01 0.89 0.02 0.00 0.01 0.00 0.00 54.13 55.06 2kl8 s LEU 37 Cb -0.02 -2.59 0.15 0.00 0.01 0.00 0.00 46.19 43.75 2kl8 s LEU 37 CO -0.00 0.31 0.29 -0.62 1.01 0.00 0.00 176.35 177.34 2kl8 s ASP 38 N -1.16 2.12 0.40 2.29 2.15 -0.25 -5.01 116.67 117.20 2kl8 s ASP 38 Ca 0.24 -2.33 0.00 0.00 0.43 0.00 0.00 52.55 50.89 2kl8 s ASP 38 Cb -0.16 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.27 2kl8 s ASP 38 CO 0.13 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2kl8 n GLY 39 N 3.71 0.62 0.16 2.66 0.00 -1.26 -0.79 105.19 110.28 2kl8 n GLY 39 Ca 0.17 0.53 0.06 0.00 0.00 0.00 0.00 46.02 46.79 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 5.67 1.05 -4.89 1.61 4.13 -1.26 -5.00 115.26 116.56 2kl8 n ASN 40 Ca 0.00 -1.02 -0.31 0.00 1.68 0.00 0.00 54.58 54.93 2kl8 n ASN 40 Cb 0.00 0.73 -0.05 0.00 -1.54 0.00 0.00 39.78 38.93 2kl8 n ASN 40 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2kl8 s ASP 41 N -1.97 6.52 -0.27 6.41 1.11 0.03 -2.45 116.67 126.06 2kl8 s ASP 41 Ca 0.08 0.70 -0.04 0.00 0.18 0.00 0.00 52.55 53.47 2kl8 s ASP 41 Cb 0.11 -2.13 0.09 0.00 1.07 0.00 0.00 42.92 42.05 2kl8 s ASP 41 CO 0.44 -0.03 0.11 -0.22 1.18 0.00 0.00 175.17 176.66 2kl8 s LEU 42 N -2.87 0.82 -0.43 1.23 2.96 0.13 -1.09 118.68 119.43 2kl8 s LEU 42 Ca 0.43 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 2kl8 s LEU 42 Cb -0.12 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.17 2kl8 s LEU 42 CO 0.25 -0.41 1.23 -1.61 -1.32 0.00 0.00 176.35 174.48 2kl8 s GLU 43 N 2.01 3.74 -0.25 1.98 0.41 -0.50 -1.21 118.70 124.88 2kl8 s GLU 43 Ca 0.07 0.79 0.02 0.00 -0.41 0.00 0.00 54.97 55.45 2kl8 s GLU 43 Cb -0.16 -3.92 0.06 0.00 -1.78 0.00 0.00 34.13 28.33 2kl8 s GLU 43 CO -0.29 -1.36 -0.09 0.42 -0.49 0.00 0.00 175.26 173.45 2kl8 s ILE 44 N 4.64 1.94 -0.16 -1.63 1.01 0.70 -1.57 121.20 126.14 2kl8 s ILE 44 Ca 0.52 -1.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2kl8 s ILE 44 Cb -0.10 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2kl8 s ILE 44 CO 0.29 -0.07 -0.09 -0.60 0.00 0.00 0.00 174.94 174.48 2kl8 s ARG 45 N 1.20 3.43 -0.33 2.79 3.52 -0.39 -0.53 118.95 128.64 2kl8 s ARG 45 Ca -0.07 -0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 54.84 2kl8 s ARG 45 Cb -0.20 -2.78 0.04 0.00 -1.56 0.00 0.00 34.95 30.46 2kl8 s ARG 45 CO -0.06 0.10 0.07 0.42 -0.81 0.00 0.00 175.30 175.03 2kl8 s ILE 46 N 0.66 3.51 -0.42 4.11 1.01 0.25 -0.69 121.20 129.62 2kl8 s ILE 46 Ca -0.05 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 2kl8 s ILE 46 Cb -0.15 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.34 2kl8 s ILE 46 CO 0.02 -0.16 0.37 -0.89 0.00 0.00 0.00 174.94 174.28 2kl8 s THR 47 N 1.35 5.18 0.00 2.92 2.01 0.51 -1.57 115.64 126.04 2kl8 s THR 47 Ca -0.03 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.38 2kl8 s THR 47 Cb -0.20 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2kl8 s THR 47 CO 0.01 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 2kl8 n GLY 48 N 5.15 0.70 3.29 4.40 0.00 -1.26 -1.52 105.19 115.95 2kl8 n GLY 48 Ca -0.10 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.03 1.89 0.43 1.61 -7.23 -1.13 -4.38 120.40 110.57 2kl8 s VAL 49 Ca 0.00 -1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 58.73 2kl8 s VAL 49 Cb 0.00 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.24 2kl8 s VAL 49 CO 0.00 0.36 1.11 -2.84 -0.31 0.00 0.00 175.10 173.42 2kl8 s PRO 50 N -1.01 3.95 0.18 4.82 0.02 -1.26 -4.54 135.00 137.16 2kl8 s PRO 50 Ca 0.10 1.65 -0.13 0.00 0.02 0.00 0.00 61.00 62.63 2kl8 s PRO 50 Cb -0.09 -2.47 0.17 0.00 0.02 0.00 0.00 34.50 32.13 2kl8 s PRO 50 CO 0.01 -0.36 1.74 1.49 -0.33 0.00 0.00 177.00 179.55 2kl8 h GLU 51 N 2.25 0.31 -0.02 5.54 4.81 -2.00 -1.55 114.58 123.91 2kl8 h GLU 51 Ca -0.49 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2kl8 h GLU 51 Cb 1.23 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2kl8 h GLU 51 CO 0.61 0.20 0.05 -0.56 -0.73 0.00 0.00 179.01 178.58 2kl8 h GLN 52 N 0.31 0.00 -0.00 1.92 3.07 -2.05 -0.03 115.11 118.33 2kl8 h GLN 52 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 2kl8 h GLN 52 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.83 2kl8 h GLN 52 CO -0.26 0.00 -0.19 0.28 0.09 0.00 0.00 178.83 178.75 2kl8 n VAL 53 N -3.35 0.00 -0.26 1.86 0.31 -0.58 -4.02 118.33 112.27 2kl8 n VAL 53 Ca -0.02 -0.05 0.07 0.00 -0.01 0.00 0.00 64.34 64.32 2kl8 n VAL 53 Cb 0.13 -0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.26 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 0.49 0.38 -0.73 5.55 9.65 -1.01 0.57 114.38 129.29 2kl8 h ARG 54 Ca 0.00 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 2kl8 h ARG 54 Cb 0.43 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 2kl8 h ARG 54 CO 0.00 0.25 0.27 1.57 2.80 0.00 0.00 179.97 184.86 2kl8 h LYS 55 N 0.39 1.11 0.15 0.20 2.10 -1.79 -2.87 116.57 115.86 2kl8 h LYS 55 Ca 0.44 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.87 2kl8 h LYS 55 Cb 0.72 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2kl8 h LYS 55 CO -0.45 0.92 -0.07 0.93 -2.00 0.00 0.00 179.45 178.78 2kl8 h GLU 56 N 1.06 -0.20 -0.38 0.07 4.39 -1.22 -0.24 114.58 118.06 2kl8 h GLU 56 Ca 0.24 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.03 2kl8 h GLU 56 Cb 0.24 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 2kl8 h GLU 56 CO -0.02 0.04 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.76 2kl8 h LEU 57 N -0.42 -0.24 0.07 1.33 3.38 -1.00 0.26 115.31 118.68 2kl8 h LEU 57 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kl8 h LEU 57 Cb 0.33 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kl8 h LEU 57 CO 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 178.44 178.45 2kl8 h ALA 58 N 1.36 -0.09 -0.76 1.53 0.00 -1.49 -1.31 119.26 118.48 2kl8 h ALA 58 Ca 0.19 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kl8 h ALA 58 Cb 0.28 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2kl8 h ALA 58 CO -0.35 -0.36 0.48 -0.22 0.00 0.00 0.00 179.25 178.80 2kl8 h LYS 59 N -0.48 0.90 -0.23 0.00 3.64 -0.83 -0.62 116.57 118.95 2kl8 h LYS 59 Ca -0.01 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 2kl8 h LYS 59 Cb 0.42 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2kl8 h LYS 59 CO 0.02 0.60 -0.31 0.93 -2.27 0.00 0.00 179.45 178.42 2kl8 h GLU 60 N 0.93 0.62 -0.27 1.90 3.07 -0.54 -0.79 114.58 119.50 2kl8 h GLU 60 Ca 0.31 -0.35 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2kl8 h GLU 60 Cb 0.04 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2kl8 h GLU 60 CO -0.12 0.96 0.13 0.00 -1.40 0.00 0.00 179.01 178.58 2kl8 h ALA 61 N 0.65 0.32 -0.58 3.43 0.00 -0.94 0.04 119.26 122.18 2kl8 h ALA 61 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kl8 h ALA 61 Cb 0.88 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2kl8 h ALA 61 CO 0.07 -0.27 0.31 0.93 0.00 0.00 0.00 179.25 180.29 2kl8 h GLU 62 N 0.27 0.80 -0.67 0.00 5.08 -1.14 -1.78 114.58 117.15 2kl8 h GLU 62 Ca 0.11 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2kl8 h GLU 62 Cb 0.05 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2kl8 h GLU 62 CO -0.09 0.62 0.35 -0.09 -1.00 0.00 0.00 179.01 178.81 2kl8 h ARG 63 N 0.78 0.62 -0.11 2.33 1.12 -0.73 -0.40 114.38 117.98 2kl8 h ARG 63 Ca 0.20 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.04 2kl8 h ARG 63 Cb 0.05 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 2kl8 h ARG 63 CO -0.03 0.41 0.07 -0.07 -3.11 0.00 0.00 179.97 177.24 2kl8 h LEU 64 N 0.64 0.13 0.09 3.80 3.38 -0.70 -1.92 115.31 120.72 2kl8 h LEU 64 Ca 0.31 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2kl8 h LEU 64 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2kl8 h LEU 64 CO -0.21 0.11 -0.14 0.00 0.09 0.00 0.00 178.44 178.29 2kl8 h ALA 65 N 1.03 -0.23 -0.48 1.53 0.00 -0.80 -2.70 119.26 117.60 2kl8 h ALA 65 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kl8 h ALA 65 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kl8 h ALA 65 CO -0.01 -0.66 0.26 0.87 0.00 0.00 0.00 179.25 179.72 2kl8 h LYS 66 N -0.28 0.67 -0.42 0.00 1.57 -1.07 0.22 116.57 117.26 2kl8 h LYS 66 Ca 0.02 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kl8 h LYS 66 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2kl8 h LYS 66 CO -0.07 0.53 0.28 1.49 -0.57 0.00 0.00 179.45 181.11 2kl8 h GLU 67 N 0.64 0.56 -0.47 3.15 4.81 -1.27 -2.03 114.58 119.97 2kl8 h GLU 67 Ca 0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2kl8 h GLU 67 Cb 0.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kl8 h GLU 67 CO -0.03 0.37 0.00 1.19 -0.73 0.00 0.00 179.01 179.81 2kl8 n PHE 68 N -4.47 0.62 -2.53 0.92 3.72 -1.03 -4.97 117.46 109.72 2kl8 n PHE 68 Ca 0.03 -0.39 -0.20 0.00 -0.05 0.00 0.00 57.45 56.84 2kl8 n PHE 68 Cb 0.06 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.20 -5.68 -4.89 4.37 3.02 0.48 -4.87 115.26 108.89 2kl8 n ASN 69 Ca 0.18 -0.04 -0.25 0.00 -0.03 0.00 0.00 54.58 54.43 2kl8 n ASN 69 Cb 0.54 -4.71 -0.01 0.00 -0.61 0.00 0.00 39.78 34.98 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 -3.01 1.81 0.13 2.41 -4.36 0.36 -4.94 121.20 113.59 2kl8 s ILE 70 Ca 0.06 -1.48 0.03 0.00 -0.26 0.00 0.00 60.65 59.00 2kl8 s ILE 70 Cb -0.03 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 2kl8 s ILE 70 CO 0.07 0.00 0.19 0.42 0.24 0.00 0.00 174.94 175.87 2kl8 s THR 71 N -2.73 4.95 -0.14 8.37 -4.23 0.66 -4.39 115.64 118.13 2kl8 s THR 71 Ca 0.36 -0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 59.94 2kl8 s THR 71 Cb -0.02 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.36 2kl8 s THR 71 CO 0.22 -0.03 0.43 0.54 -0.54 0.00 0.00 174.62 175.25 2kl8 s VAL 72 N -1.65 0.01 -0.01 2.29 0.11 -1.26 -0.82 120.40 119.07 2kl8 s VAL 72 Ca 0.33 -0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 2kl8 s VAL 72 Cb -0.11 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2kl8 s VAL 72 CO 0.26 -0.03 -0.23 0.42 -3.33 0.00 0.00 175.10 172.19 2kl8 s THR 73 N -0.01 2.32 -0.05 5.04 -4.23 0.23 -4.99 115.64 113.95 2kl8 s THR 73 Ca -0.02 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2kl8 s THR 73 Cb -0.03 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 71.98 2kl8 s THR 73 CO 0.01 0.52 0.09 -0.72 -0.54 0.00 0.00 174.62 173.98 2kl8 s TYR 74 N -0.70 -0.00 -0.23 3.99 1.13 -1.26 -0.87 117.35 119.41 2kl8 s TYR 74 Ca 0.11 0.35 -0.06 0.00 -1.41 0.00 0.00 57.07 56.06 2kl8 s TYR 74 Cb -0.10 -0.42 0.11 0.00 -1.10 0.00 0.00 41.96 40.45 2kl8 s TYR 74 CO 0.00 -0.21 0.45 0.99 -2.51 0.00 0.00 175.55 174.28 2kl8 s THR 75 N 2.20 -0.71 0.30 -3.49 2.01 -0.27 -5.03 115.64 110.63 2kl8 s THR 75 Ca 0.04 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 2kl8 s THR 75 Cb -0.12 -0.77 -0.09 0.00 0.01 0.00 0.00 72.50 71.52 2kl8 s THR 75 CO -0.04 0.01 1.02 -0.63 -0.69 0.00 0.00 174.62 174.29 2kl8 s ILE 76 N 2.65 3.80 -0.75 1.82 1.01 -1.26 -2.23 121.20 126.25 2kl8 s ILE 76 Ca 0.03 1.68 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 2kl8 s ILE 76 Cb -0.13 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 2kl8 s ILE 76 CO -0.15 0.30 2.05 0.00 0.00 0.00 0.00 174.94 177.15 2kl8 s ARG 77 N -1.66 2.36 0.54 2.79 1.04 -1.05 -4.93 118.95 118.03 2kl8 s ARG 77 Ca 0.47 0.32 -0.21 0.00 -1.04 0.00 0.00 55.73 55.26 2kl8 s ARG 77 Cb -0.26 -4.75 -0.05 0.00 -2.04 0.00 0.00 34.95 27.84 2kl8 s ARG 77 CO 0.33 -3.35 1.30 -0.51 -0.04 0.00 0.00 175.30 173.03 2kl8 s LEU 78 N 10.82 3.85 -0.07 -1.89 1.43 -1.26 -4.84 118.68 126.72 2kl8 s LEU 78 Ca 0.76 2.62 -0.13 0.00 -1.03 0.00 0.00 54.13 56.36 2kl8 s LEU 78 Cb -0.11 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 2kl8 s LEU 78 CO 0.10 -1.46 0.33 -1.61 0.23 0.00 0.00 176.35 173.94 2kl8 s GLU 79 N -2.93 3.92 -0.32 1.70 2.02 -1.26 -5.06 118.70 116.77 2kl8 s GLU 79 Ca 0.71 0.23 -0.26 0.00 0.02 0.00 0.00 54.97 55.67 2kl8 s GLU 79 Cb -0.37 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 30.60 2kl8 s GLU 79 CO 0.43 0.57 0.93 -1.01 0.02 0.00 0.00 175.26 176.21 2kl8 s HIS 80 N -0.61 3.17 -0.01 1.61 3.76 -1.26 -4.96 115.29 116.99 2kl8 s HIS 80 Ca 0.20 0.99 -0.19 0.00 -0.15 0.00 0.00 55.06 55.91 2kl8 s HIS 80 Cb -0.15 -3.47 -0.11 0.00 1.11 0.00 0.00 32.58 29.97 2kl8 s HIS 80 CO 0.09 -0.68 0.87 0.45 -0.85 0.00 0.00 174.74 174.62 2kl8 h HIS 81 N 8.13 -0.64 0.00 1.40 -0.00 -2.06 -3.45 115.15 118.52 2kl8 h HIS 81 Ca -0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 2kl8 h HIS 81 Cb 1.08 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2kl8 h HIS 81 CO 0.81 -0.40 0.00 1.58 -0.00 0.00 0.00 177.93 179.91 2kl8 n HIS 82 N -4.87 0.00 -1.89 2.45 -0.00 -1.26 -4.92 115.22 104.73 2kl8 n HIS 82 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.21 2kl8 n HIS 82 Cb 0.27 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 2kl8 n HIS 82 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kl8 s HIS 83 N -0.34 2.31 -0.06 1.57 3.76 -1.26 -4.99 115.29 116.28 2kl8 s HIS 83 Ca 0.00 0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 55.12 2kl8 s HIS 83 Cb 0.00 -4.00 -0.04 0.00 1.11 0.00 0.00 32.58 29.65 2kl8 s HIS 83 CO 0.00 -4.08 0.06 -1.58 -0.85 0.00 0.00 174.74 168.30 2kl8 s HIS 84 N 2.80 3.30 0.00 1.40 2.46 -1.26 -5.31 115.29 118.69 2kl8 s HIS 84 Ca 0.75 0.27 0.00 0.00 0.47 0.00 0.00 55.06 56.55 2kl8 s HIS 84 Cb -0.40 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.25 2kl8 s HIS 84 CO 0.33 0.56 0.33 0.72 -2.47 0.00 0.00 174.74 174.20