#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 1.71 -0.07 2.12 2.02 -0.50 -3.16 118.70 120.82 2kl8 s GLU 2 Ca 0.00 -1.96 -0.03 0.00 0.02 0.00 0.00 54.97 53.00 2kl8 s GLU 2 Cb 0.00 -0.92 0.04 0.00 0.10 0.00 0.00 34.13 33.35 2kl8 s GLU 2 CO 0.00 -0.20 0.16 1.41 0.02 0.00 0.00 175.26 176.64 2kl8 s MET 3 N -3.86 0.09 -0.05 1.61 1.75 -0.49 -0.45 119.30 117.89 2kl8 s MET 3 Ca 0.35 0.42 -0.27 0.00 -1.25 0.00 0.00 55.69 54.94 2kl8 s MET 3 Cb 0.08 -0.19 -0.03 0.00 2.84 0.00 0.00 34.83 37.53 2kl8 s MET 3 CO 0.15 -0.19 0.87 -0.51 -0.65 0.00 0.00 175.02 174.69 2kl8 s ASP 4 N 1.41 7.18 -0.18 1.11 1.11 0.99 -2.26 116.67 126.03 2kl8 s ASP 4 Ca -0.07 1.43 -0.05 0.00 0.18 0.00 0.00 52.55 54.05 2kl8 s ASP 4 Cb -0.12 -2.50 0.06 0.00 1.07 0.00 0.00 42.92 41.43 2kl8 s ASP 4 CO -0.06 -0.24 0.09 -0.63 1.18 0.00 0.00 175.17 175.50 2kl8 s ILE 5 N 1.16 -0.04 -0.14 0.77 1.01 -0.38 -1.05 121.20 122.54 2kl8 s ILE 5 Ca 0.45 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2kl8 s ILE 5 Cb -0.19 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2kl8 s ILE 5 CO 0.22 -0.30 -0.21 -0.13 0.00 0.00 0.00 174.94 174.52 2kl8 s ARG 6 N 2.11 3.05 0.02 2.79 3.00 -0.13 -0.35 118.95 129.44 2kl8 s ARG 6 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 55.73 54.94 2kl8 s ARG 6 Cb -0.16 -2.45 -0.04 0.00 0.00 0.00 0.00 34.95 32.30 2kl8 s ARG 6 CO -0.11 0.00 -0.02 -0.06 0.00 0.00 0.00 175.30 175.11 2kl8 s PHE 7 N 0.78 2.99 -0.07 -0.53 0.08 -0.57 -0.99 117.98 119.68 2kl8 s PHE 7 Ca -0.08 0.02 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 2kl8 s PHE 7 Cb -0.16 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 2kl8 s PHE 7 CO -0.01 0.44 0.13 0.50 -0.10 0.00 0.00 175.22 176.18 2kl8 s ARG 8 N -1.65 0.00 0.09 0.44 3.52 0.33 -0.53 118.95 121.14 2kl8 s ARG 8 Ca 0.20 0.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.20 2kl8 s ARG 8 Cb -0.11 -0.33 0.01 0.00 -1.56 0.00 0.00 34.95 32.95 2kl8 s ARG 8 CO 0.11 -0.31 0.25 0.20 -0.81 0.00 0.00 175.30 174.73 2kl8 s GLY 9 N 2.25 -0.01 0.06 8.12 0.00 -1.26 -0.67 107.32 115.81 2kl8 s GLY 9 Ca 0.04 -0.45 0.24 0.00 0.00 0.00 0.00 44.72 44.55 2kl8 s GLY 9 CO -0.05 -0.65 1.25 2.09 0.00 0.00 0.00 173.10 175.74 2kl8 n ASP 10 N -0.06 0.62 -4.87 1.64 5.75 -1.26 -4.95 116.55 113.41 2kl8 n ASP 10 Ca -0.16 -0.14 -0.31 0.00 -0.01 0.00 0.00 54.79 54.18 2kl8 n ASP 10 Cb 0.63 0.40 0.02 0.00 -1.03 0.00 0.00 41.12 41.14 2kl8 n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kl8 s ASP 11 N -3.69 6.05 -0.13 -1.12 2.15 -1.26 -5.04 116.67 113.62 2kl8 s ASP 11 Ca 0.07 1.33 -0.08 0.00 0.43 0.00 0.00 52.55 54.30 2kl8 s ASP 11 Cb 0.15 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 40.39 2kl8 s ASP 11 CO 0.74 -0.97 -0.01 0.25 -0.17 0.00 0.00 175.17 175.01 2kl8 h LEU 12 N -0.38 0.00 -1.30 -1.34 5.85 -2.03 -3.40 115.31 112.70 2kl8 h LEU 12 Ca -0.44 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 2kl8 h LEU 12 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2kl8 h LEU 12 CO 0.62 0.73 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.79 2kl8 h GLU 13 N -1.00 0.03 -0.78 1.25 5.08 -2.01 -3.01 114.58 114.13 2kl8 h GLU 13 Ca -0.03 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.50 2kl8 h GLU 13 Cb 0.41 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2kl8 h GLU 13 CO -0.02 0.36 0.53 0.00 -1.00 0.00 0.00 179.01 178.88 2kl8 h ALA 14 N 1.64 2.31 0.34 3.43 0.00 -1.99 0.12 119.26 125.10 2kl8 h ALA 14 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kl8 h ALA 14 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kl8 h ALA 14 CO 0.04 -0.54 -0.18 0.35 0.00 0.00 0.00 179.25 178.93 2kl8 h PHE 15 N 0.29 -0.46 -0.09 0.00 3.57 -1.75 -2.41 116.94 116.09 2kl8 h PHE 15 Ca 0.39 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.68 2kl8 h PHE 15 Cb 1.10 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2kl8 h PHE 15 CO -0.00 -0.28 -0.78 1.49 -2.23 0.00 0.00 178.31 176.51 2kl8 h GLU 16 N -0.48 0.55 0.40 1.11 4.81 -1.27 -2.68 114.58 117.02 2kl8 h GLU 16 Ca -0.04 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2kl8 h GLU 16 Cb 0.38 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2kl8 h GLU 16 CO 0.06 1.09 -0.21 0.87 -0.73 0.00 0.00 179.01 180.10 2kl8 h LYS 17 N 0.37 -0.54 -0.22 1.92 1.79 -0.88 0.60 116.57 119.60 2kl8 h LYS 17 Ca -0.05 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2kl8 h LYS 17 Cb 1.38 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.14 2kl8 h LYS 17 CO 0.14 -0.36 0.14 0.00 -1.08 0.00 0.00 179.45 178.29 2kl8 h ALA 18 N 0.03 0.28 -0.48 3.86 0.00 -1.51 -1.84 119.26 119.61 2kl8 h ALA 18 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kl8 h ALA 18 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2kl8 h ALA 18 CO 0.07 -0.23 0.30 1.25 0.00 0.00 0.00 179.25 180.65 2kl8 h LEU 19 N 0.28 0.50 -0.53 0.00 5.85 -1.42 -2.53 115.31 117.45 2kl8 h LEU 19 Ca 0.08 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kl8 h LEU 19 Cb -0.00 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2kl8 h LEU 19 CO -0.02 0.36 0.16 0.50 -0.34 0.00 0.00 178.44 179.10 2kl8 h LYS 20 N 0.60 0.83 -0.31 1.25 1.63 -0.71 -2.79 116.57 117.08 2kl8 h LYS 20 Ca 0.18 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2kl8 h LYS 20 Cb -0.02 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 2kl8 h LYS 20 CO -0.07 0.77 0.17 0.93 -3.45 0.00 0.00 179.45 177.80 2kl8 h GLU 21 N 0.74 0.44 -0.61 1.90 4.39 -1.21 0.15 114.58 120.38 2kl8 h GLU 21 Ca 0.17 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.88 2kl8 h GLU 21 Cb 0.28 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2kl8 h GLU 21 CO -0.00 0.38 0.32 0.52 -1.16 0.00 0.00 179.01 179.07 2kl8 h MET 22 N 0.38 0.57 -0.41 2.33 2.86 -1.37 -0.43 114.93 118.86 2kl8 h MET 22 Ca 0.11 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2kl8 h MET 22 Cb 0.08 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2kl8 h MET 22 CO -0.02 0.38 0.01 0.82 1.06 0.00 0.00 176.91 179.16 2kl8 h ILE 23 N 0.59 1.26 -0.04 -1.22 2.04 -1.33 -1.46 117.51 117.35 2kl8 h ILE 23 Ca 0.28 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.17 2kl8 h ILE 23 Cb 0.20 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2kl8 h ILE 23 CO -0.19 0.34 -0.29 -0.09 0.00 0.00 0.00 178.15 177.92 2kl8 h ARG 24 N 0.55 -0.40 -0.44 2.37 2.43 0.19 -0.40 114.38 118.68 2kl8 h ARG 24 Ca 0.12 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2kl8 h ARG 24 Cb 0.47 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2kl8 h ARG 24 CO 0.02 -0.27 -0.15 1.96 -1.51 0.00 0.00 179.97 180.02 2kl8 h GLN 25 N -0.42 0.82 0.00 0.20 7.50 -1.17 -2.91 115.11 119.13 2kl8 h GLN 25 Ca 0.07 -0.30 -0.00 0.00 0.50 0.00 0.00 58.65 58.92 2kl8 h GLN 25 Cb 0.52 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 2kl8 h GLN 25 CO -0.27 0.92 -0.01 0.00 -1.50 0.00 0.00 178.83 177.97 2kl8 h ALA 26 N 1.10 1.51 -0.27 3.87 0.00 -0.59 -1.88 119.26 123.01 2kl8 h ALA 26 Ca 0.11 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2kl8 h ALA 26 Cb 0.66 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kl8 h ALA 26 CO 0.05 0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.53 2kl8 h ARG 27 N 0.00 0.00 0.00 0.00 2.47 -0.88 -1.12 114.38 114.85 2kl8 h ARG 27 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2kl8 h ARG 27 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2kl8 h ARG 27 CO 0.00 0.00 -0.05 0.87 0.56 0.00 0.00 179.97 181.35 2kl8 h LYS 28 N 0.00 0.00 -5.65 0.04 6.56 -1.52 -3.45 116.57 112.55 2kl8 h LYS 28 Ca 0.13 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 59.10 2kl8 h LYS 28 Cb 0.58 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.13 2kl8 h LYS 28 CO -0.00 0.05 -0.55 -0.06 -2.06 0.00 0.00 179.45 176.83 2kl8 s PHE 29 N -4.49 2.40 -0.78 -1.35 0.08 -0.42 -5.09 117.98 108.32 2kl8 s PHE 29 Ca -0.04 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.18 2kl8 s PHE 29 Cb 0.14 -1.80 0.21 0.00 -0.57 0.00 0.00 43.02 41.00 2kl8 s PHE 29 CO 0.57 0.31 0.70 0.00 -0.10 0.00 0.00 175.22 176.71 2kl8 s ALA 30 N -2.71 3.98 0.18 5.36 0.00 -1.26 -5.01 121.76 122.30 2kl8 s ALA 30 Ca 0.32 -3.28 -0.14 0.00 0.00 0.00 0.00 51.96 48.85 2kl8 s ALA 30 Cb 0.07 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.84 2kl8 s ALA 30 CO 0.17 -2.24 0.42 0.20 0.00 0.00 0.00 175.76 174.31 2kl8 s GLY 31 N 1.96 0.14 -0.23 0.00 0.00 -1.26 -4.83 107.32 103.09 2kl8 s GLY 31 Ca 0.17 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 44.25 2kl8 s GLY 31 CO -0.08 -0.51 0.34 -1.59 0.00 0.00 0.00 173.10 171.27 2kl8 s THR 32 N -3.91 5.22 -0.21 0.90 2.01 0.15 -4.94 115.64 114.86 2kl8 s THR 32 Ca 0.12 0.55 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 2kl8 s THR 32 Cb 0.01 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2kl8 s THR 32 CO -0.02 0.23 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.35 2kl8 s VAL 33 N 1.54 2.83 0.22 3.82 1.01 -1.26 -1.12 120.40 127.44 2kl8 s VAL 33 Ca 0.15 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2kl8 s VAL 33 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2kl8 s VAL 33 CO 0.08 0.44 -0.03 0.28 0.00 0.00 0.00 175.10 175.87 2kl8 s THR 34 N 1.39 1.10 -0.09 3.92 -1.32 -0.65 -5.02 115.64 114.97 2kl8 s THR 34 Ca 0.05 -2.05 -0.22 0.00 -1.21 0.00 0.00 61.69 58.26 2kl8 s THR 34 Cb -0.14 -2.26 0.05 0.00 -1.51 0.00 0.00 72.50 68.64 2kl8 s THR 34 CO -0.07 -0.40 0.52 -0.72 -2.21 0.00 0.00 174.62 171.74 2kl8 s TYR 35 N -3.38 -0.49 -0.01 9.09 1.13 -1.26 -1.10 117.35 121.34 2kl8 s TYR 35 Ca 0.26 0.96 0.01 0.00 -1.41 0.00 0.00 57.07 56.89 2kl8 s TYR 35 Cb 0.05 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 2kl8 s TYR 35 CO 0.07 -0.44 -0.03 -0.08 -2.51 0.00 0.00 175.55 172.56 2kl8 s THR 36 N -0.79 0.26 -0.07 -3.49 -1.32 0.07 -4.99 115.64 105.32 2kl8 s THR 36 Ca -0.09 -0.10 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 2kl8 s THR 36 Cb -0.03 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 2kl8 s THR 36 CO 0.05 0.10 0.66 -0.76 -2.21 0.00 0.00 174.62 172.47 2kl8 s LEU 37 N 0.20 4.32 -0.24 9.08 2.01 -1.26 -0.83 118.68 131.96 2kl8 s LEU 37 Ca -0.02 1.14 -0.02 0.00 0.01 0.00 0.00 54.13 55.25 2kl8 s LEU 37 Cb -0.05 -3.02 0.07 0.00 0.01 0.00 0.00 46.19 43.21 2kl8 s LEU 37 CO -0.00 -0.08 0.05 -0.62 1.01 0.00 0.00 176.35 176.70 2kl8 s ASP 38 N 0.68 3.44 0.54 2.29 2.15 -0.39 -4.98 116.67 120.41 2kl8 s ASP 38 Ca 0.36 -1.16 0.00 0.00 0.43 0.00 0.00 52.55 52.17 2kl8 s ASP 38 Cb -0.17 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 2kl8 s ASP 38 CO 0.17 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 2kl8 n GLY 39 N 4.93 0.68 0.02 2.66 0.00 -1.26 -1.68 105.19 110.54 2kl8 n GLY 39 Ca -0.07 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 6.55 1.50 -4.22 1.61 4.13 -1.26 -5.07 115.26 118.50 2kl8 n ASN 40 Ca 0.00 -1.86 -0.14 0.00 1.68 0.00 0.00 54.58 54.27 2kl8 n ASN 40 Cb 0.00 -0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.10 2kl8 n ASN 40 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2kl8 s ASP 41 N -0.92 1.60 -0.19 6.41 -4.77 -0.68 -4.35 116.67 113.76 2kl8 s ASP 41 Ca 0.03 -0.97 -0.05 0.00 -3.30 0.00 0.00 52.55 48.26 2kl8 s ASP 41 Cb 0.02 0.01 -0.02 0.00 -1.09 0.00 0.00 42.92 41.84 2kl8 s ASP 41 CO 0.00 -0.34 -0.01 -0.22 0.70 0.00 0.00 175.17 175.30 2kl8 s LEU 42 N -2.98 3.21 -0.42 2.11 2.96 0.30 -1.26 118.68 122.60 2kl8 s LEU 42 Ca 0.13 -0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 53.70 2kl8 s LEU 42 Cb 0.02 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.95 2kl8 s LEU 42 CO -0.01 0.08 0.29 -0.70 -1.32 0.00 0.00 176.35 174.70 2kl8 s GLU 43 N 0.91 2.89 -0.08 1.98 -6.30 -0.01 -1.51 118.70 116.59 2kl8 s GLU 43 Ca 0.01 -1.16 -0.01 0.00 -2.50 0.00 0.00 54.97 51.31 2kl8 s GLU 43 Cb -0.14 -3.93 -0.03 0.00 0.00 0.00 0.00 34.13 30.02 2kl8 s GLU 43 CO 0.02 -0.82 -0.03 0.42 0.02 0.00 0.00 175.26 174.86 2kl8 s ILE 44 N 1.61 4.02 -0.12 -3.70 1.01 0.52 -0.75 121.20 123.79 2kl8 s ILE 44 Ca 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2kl8 s ILE 44 Cb -0.21 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2kl8 s ILE 44 CO 0.08 0.60 -0.14 -0.60 0.00 0.00 0.00 174.94 174.87 2kl8 s ARG 45 N -0.82 2.20 -0.19 2.79 3.52 -0.25 -1.24 118.95 124.95 2kl8 s ARG 45 Ca 0.12 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.17 2kl8 s ARG 45 Cb -0.11 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 2kl8 s ARG 45 CO 0.02 -0.13 -0.12 0.42 -0.81 0.00 0.00 175.30 174.67 2kl8 s ILE 46 N 1.20 2.78 -0.12 4.11 1.01 -0.96 -1.64 121.20 127.58 2kl8 s ILE 46 Ca -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2kl8 s ILE 46 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.12 2kl8 s ILE 46 CO -0.05 0.49 -0.20 -0.89 0.00 0.00 0.00 174.94 174.28 2kl8 s THR 47 N 1.20 1.86 0.00 2.92 2.01 -0.28 -1.40 115.64 121.96 2kl8 s THR 47 Ca 0.02 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2kl8 s THR 47 Cb -0.14 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.72 2kl8 s THR 47 CO -0.05 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 2kl8 n GLY 48 N 3.94 0.69 3.06 4.40 0.00 -1.19 -0.67 105.19 115.41 2kl8 n GLY 48 Ca -0.20 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.68 0.72 0.56 1.61 -7.23 -1.24 -4.41 120.40 109.73 2kl8 s VAL 49 Ca 0.00 -0.72 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 2kl8 s VAL 49 Cb 0.00 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 2kl8 s VAL 49 CO 0.00 -0.03 0.88 -2.16 -0.31 0.00 0.00 175.10 173.48 2kl8 s PRO 50 N -0.83 3.17 0.29 4.82 0.04 -1.26 -4.41 135.00 136.82 2kl8 s PRO 50 Ca -0.01 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 2kl8 s PRO 50 Cb -0.06 -2.28 0.45 0.00 0.04 0.00 0.00 34.50 32.65 2kl8 s PRO 50 CO 0.00 -0.54 1.88 1.49 0.04 0.00 0.00 177.00 179.87 2kl8 h GLU 51 N -0.08 0.87 0.00 4.56 4.81 -2.00 -2.76 114.58 119.98 2kl8 h GLU 51 Ca -0.46 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2kl8 h GLU 51 Cb 1.23 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2kl8 h GLU 51 CO 0.61 0.71 0.00 -0.56 -0.73 0.00 0.00 179.01 179.04 2kl8 h GLN 52 N 0.86 0.00 -0.01 1.92 3.07 -2.06 0.54 115.11 119.43 2kl8 h GLN 52 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.94 2kl8 h GLN 52 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 2kl8 h GLN 52 CO -0.02 0.00 -0.10 0.28 0.09 0.00 0.00 178.83 179.08 2kl8 n VAL 53 N -2.85 0.00 0.14 1.86 0.31 -1.09 -4.77 118.33 111.93 2kl8 n VAL 53 Ca -0.02 -0.45 -0.15 0.00 -0.01 0.00 0.00 64.34 63.70 2kl8 n VAL 53 Cb 0.07 1.14 -0.08 0.00 -0.91 0.00 0.00 33.84 34.05 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 1.31 -0.70 -0.21 5.55 9.65 -0.60 -1.15 114.38 128.22 2kl8 h ARG 54 Ca 0.00 0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 2kl8 h ARG 54 Cb 0.33 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2kl8 h ARG 54 CO 0.00 -0.46 -0.20 0.87 2.80 0.00 0.00 179.97 182.98 2kl8 h LYS 55 N -0.72 0.37 0.05 0.20 1.57 -1.86 -2.07 116.57 114.10 2kl8 h LYS 55 Ca 0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2kl8 h LYS 55 Cb 0.73 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2kl8 h LYS 55 CO -0.23 0.55 -0.02 0.93 -0.57 0.00 0.00 179.45 180.11 2kl8 h GLU 56 N 0.33 -0.06 -0.78 3.15 4.39 -1.78 -1.51 114.58 118.32 2kl8 h GLU 56 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2kl8 h GLU 56 Cb 0.54 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 2kl8 h GLU 56 CO 0.04 0.09 0.43 -0.07 -1.16 0.00 0.00 179.01 178.34 2kl8 h LEU 57 N -0.21 0.97 -0.73 1.33 3.38 -1.09 0.81 115.31 119.78 2kl8 h LEU 57 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kl8 h LEU 57 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2kl8 h LEU 57 CO 0.01 0.77 0.43 0.00 0.09 0.00 0.00 178.44 179.74 2kl8 h ALA 58 N 1.39 0.93 0.05 1.53 0.00 -1.20 -1.76 119.26 120.19 2kl8 h ALA 58 Ca 0.28 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2kl8 h ALA 58 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2kl8 h ALA 58 CO -0.05 0.41 -1.04 -0.22 0.00 0.00 0.00 179.25 178.36 2kl8 h LYS 59 N 1.00 0.17 -0.21 0.00 3.64 -0.93 -3.19 116.57 117.03 2kl8 h LYS 59 Ca 0.26 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2kl8 h LYS 59 Cb -0.01 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kl8 h LYS 59 CO -0.05 1.06 -0.08 1.49 -2.27 0.00 0.00 179.45 179.60 2kl8 h GLU 60 N 0.07 0.34 -0.89 1.90 4.81 -0.68 -0.77 114.58 119.36 2kl8 h GLU 60 Ca -0.06 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2kl8 h GLU 60 Cb 1.74 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 31.01 2kl8 h GLU 60 CO 0.16 0.44 0.58 0.00 -0.73 0.00 0.00 179.01 179.45 2kl8 h ALA 61 N 1.60 1.53 -0.64 2.92 0.00 -1.31 -1.55 119.26 121.80 2kl8 h ALA 61 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kl8 h ALA 61 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2kl8 h ALA 61 CO 0.02 0.33 0.42 0.93 0.00 0.00 0.00 179.25 180.95 2kl8 h GLU 62 N 1.00 0.82 0.05 0.00 5.08 -1.18 -2.34 114.58 118.02 2kl8 h GLU 62 Ca 0.38 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2kl8 h GLU 62 Cb 0.21 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2kl8 h GLU 62 CO -0.14 0.54 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.08 2kl8 h ARG 63 N 0.84 -0.39 -0.96 2.33 2.43 -0.90 0.85 114.38 118.59 2kl8 h ARG 63 Ca 0.24 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 2kl8 h ARG 63 Cb -0.07 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 2kl8 h ARG 63 CO -0.06 -0.26 0.62 -0.07 -1.51 0.00 0.00 179.97 178.68 2kl8 h LEU 64 N -0.41 0.93 0.29 3.80 3.38 -1.21 0.82 115.31 122.91 2kl8 h LEU 64 Ca 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kl8 h LEU 64 Cb 0.47 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kl8 h LEU 64 CO -0.18 0.56 -0.14 0.00 0.09 0.00 0.00 178.44 178.77 2kl8 h ALA 65 N 1.51 -0.38 0.00 1.53 0.00 -1.11 -3.33 119.26 117.48 2kl8 h ALA 65 Ca 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2kl8 h ALA 65 Cb 0.30 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kl8 h ALA 65 CO -0.19 -0.41 -0.17 0.87 0.00 0.00 0.00 179.25 179.36 2kl8 h LYS 66 N -0.99 0.00 -0.19 0.00 1.79 -0.68 0.44 116.57 116.93 2kl8 h LYS 66 Ca -0.04 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2kl8 h LYS 66 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2kl8 h LYS 66 CO 0.06 0.17 0.11 1.49 -1.08 0.00 0.00 179.45 180.20 2kl8 h GLU 67 N 0.00 0.27 -0.51 3.15 4.22 -0.95 -2.94 114.58 117.81 2kl8 h GLU 67 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2kl8 h GLU 67 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2kl8 h GLU 67 CO 0.02 0.24 0.00 1.19 -2.18 0.00 0.00 179.01 178.28 2kl8 n PHE 68 N -4.91 0.68 -1.97 0.92 3.01 -1.10 -4.96 117.46 109.12 2kl8 n PHE 68 Ca -0.04 -0.43 -0.20 0.00 1.01 0.00 0.00 57.45 57.79 2kl8 n PHE 68 Cb 0.06 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.47 2kl8 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2kl8 n ASN 69 N 1.20 -5.56 -4.93 4.37 3.02 0.12 -4.96 115.26 108.52 2kl8 n ASN 69 Ca 0.19 0.24 -0.25 0.00 -0.03 0.00 0.00 54.58 54.72 2kl8 n ASN 69 Cb 0.54 -4.71 0.04 0.00 -0.61 0.00 0.00 39.78 35.04 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 3.29 0.15 2.41 -4.36 0.64 -4.93 121.20 115.53 2kl8 s ILE 70 Ca 0.00 -0.19 -0.19 0.00 -0.26 0.00 0.00 60.65 60.00 2kl8 s ILE 70 Cb 0.00 -3.31 -0.07 0.00 1.25 0.00 0.00 42.46 40.33 2kl8 s ILE 70 CO 0.00 -0.30 0.65 -0.89 0.24 0.00 0.00 174.94 174.64 2kl8 s THR 71 N -2.96 4.65 -0.06 8.37 2.01 0.16 -4.49 115.64 123.32 2kl8 s THR 71 Ca 0.55 1.23 -0.04 0.00 0.31 0.00 0.00 61.69 63.74 2kl8 s THR 71 Cb -0.10 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.54 2kl8 s THR 71 CO 0.43 0.37 0.14 0.54 -0.69 0.00 0.00 174.62 175.42 2kl8 s VAL 72 N -1.32 -0.02 -0.16 3.82 0.11 -1.26 -0.52 120.40 121.05 2kl8 s VAL 72 Ca 0.36 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.52 2kl8 s VAL 72 Cb -0.18 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2kl8 s VAL 72 CO 0.21 0.04 -0.20 0.42 -3.33 0.00 0.00 175.10 172.23 2kl8 s THR 73 N 0.63 2.15 -0.04 5.04 -4.23 -0.16 -4.98 115.64 114.06 2kl8 s THR 73 Ca -0.05 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2kl8 s THR 73 Cb -0.06 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 2kl8 s THR 73 CO -0.03 0.54 -0.14 -0.72 -0.54 0.00 0.00 174.62 173.73 2kl8 s TYR 74 N 1.01 1.41 0.05 3.99 1.13 -1.26 -0.95 117.35 122.72 2kl8 s TYR 74 Ca -0.02 -0.39 0.03 0.00 -1.41 0.00 0.00 57.07 55.28 2kl8 s TYR 74 Cb -0.15 -0.97 -0.02 0.00 -1.10 0.00 0.00 41.96 39.72 2kl8 s TYR 74 CO -0.06 -0.14 -0.11 0.99 -2.51 0.00 0.00 175.55 173.72 2kl8 s THR 75 N 0.12 0.80 -0.34 -3.49 2.01 -0.21 -4.96 115.64 109.56 2kl8 s THR 75 Ca -0.04 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 2kl8 s THR 75 Cb -0.11 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 2kl8 s THR 75 CO 0.02 -0.23 0.21 -0.63 -0.69 0.00 0.00 174.62 173.30 2kl8 s ILE 76 N -1.16 4.97 -0.54 1.82 -1.09 -1.26 -0.01 121.20 123.92 2kl8 s ILE 76 Ca -0.05 -0.41 -0.25 0.00 -2.23 0.00 0.00 60.65 57.71 2kl8 s ILE 76 Cb -0.09 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2kl8 s ILE 76 CO 0.01 -0.04 1.00 -0.13 -1.23 0.00 0.00 174.94 174.55 2kl8 s ARG 77 N 1.66 3.41 0.23 2.79 0.52 0.40 -4.98 118.95 122.99 2kl8 s ARG 77 Ca 0.05 -0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.25 2kl8 s ARG 77 Cb -0.18 -4.02 -0.03 0.00 0.52 0.00 0.00 34.95 31.24 2kl8 s ARG 77 CO 0.09 -1.49 0.25 -0.51 0.02 0.00 0.00 175.30 173.66 2kl8 s LEU 78 N 4.16 4.03 0.29 2.53 2.01 -1.26 -1.41 118.68 129.03 2kl8 s LEU 78 Ca 0.35 -0.09 -0.29 0.00 0.01 0.00 0.00 54.13 54.11 2kl8 s LEU 78 Cb -0.11 -2.58 -0.10 0.00 0.01 0.00 0.00 46.19 43.41 2kl8 s LEU 78 CO 0.22 -0.03 1.15 -0.70 1.01 0.00 0.00 176.35 178.00 2kl8 s GLU 79 N -3.74 4.57 -1.14 1.70 2.56 -1.26 -4.92 118.70 116.48 2kl8 s GLU 79 Ca 0.33 1.90 -0.16 0.00 0.00 0.00 0.00 54.97 57.04 2kl8 s GLU 79 Cb -0.09 -3.16 -0.06 0.00 2.00 0.00 0.00 34.13 32.82 2kl8 s GLU 79 CO 0.26 0.11 2.16 -2.39 -0.56 0.00 0.00 175.26 174.85 2kl8 n HIS 80 N 1.12 2.52 -2.03 5.30 1.44 -1.26 -4.93 115.22 117.37 2kl8 n HIS 80 Ca -0.01 -2.41 -0.42 0.00 -2.01 0.00 0.00 57.72 52.88 2kl8 n HIS 80 Cb 0.44 -2.11 -0.03 0.00 0.12 0.00 0.00 29.99 28.41 2kl8 n HIS 80 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kl8 s HIS 81 N 3.85 3.08 -0.58 -1.40 2.46 -1.26 -4.92 115.29 116.51 2kl8 s HIS 81 Ca 0.52 0.95 -0.27 0.00 0.47 0.00 0.00 55.06 56.73 2kl8 s HIS 81 Cb 0.14 -3.81 -0.01 0.00 -0.13 0.00 0.00 32.58 28.78 2kl8 s HIS 81 CO 0.00 -2.72 1.69 -1.01 -2.47 0.00 0.00 174.74 170.23 2kl8 s HIS 82 N 0.38 1.89 -0.17 3.88 3.76 -1.26 -4.94 115.29 118.83 2kl8 s HIS 82 Ca 0.62 0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 55.98 2kl8 s HIS 82 Cb -0.41 -4.22 0.04 0.00 1.11 0.00 0.00 32.58 29.10 2kl8 s HIS 82 CO 0.39 -2.28 0.44 -1.58 -0.85 0.00 0.00 174.74 170.86 2kl8 s HIS 83 N 7.78 -0.50 0.45 1.40 5.04 -1.26 -5.18 115.29 123.02 2kl8 s HIS 83 Ca 0.61 1.20 0.03 0.00 -1.54 0.00 0.00 55.06 55.36 2kl8 s HIS 83 Cb -0.13 0.18 -0.02 0.00 0.04 0.00 0.00 32.58 32.65 2kl8 s HIS 83 CO 0.22 -0.24 0.06 -3.38 -2.34 0.00 0.00 174.74 169.06 2kl8 s HIS 84 N 0.32 1.86 -2.50 3.88 -3.43 -1.26 -5.27 115.29 108.88 2kl8 s HIS 84 Ca -0.01 -1.10 0.28 0.00 -0.80 0.00 0.00 55.06 53.43 2kl8 s HIS 84 Cb -0.03 -1.40 1.05 0.00 -1.43 0.00 0.00 32.58 30.77 2kl8 s HIS 84 CO -0.00 -0.02 1.74 -2.39 -2.00 0.00 0.00 174.74 172.07