#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 1.82 -0.10 2.12 2.12 -1.26 -1.27 118.70 122.12 2kl8 s GLU 2 Ca 0.00 -1.46 -0.13 0.00 0.36 0.00 0.00 54.97 53.74 2kl8 s GLU 2 Cb 0.00 -1.98 0.03 0.00 0.26 0.00 0.00 34.13 32.44 2kl8 s GLU 2 CO 0.00 0.40 0.34 0.00 -0.54 0.00 0.00 175.26 175.46 2kl8 s MET 3 N -2.96 0.47 -0.23 4.30 0.23 -0.34 -3.71 119.30 117.06 2kl8 s MET 3 Ca 0.25 0.32 -0.03 0.00 -1.03 0.00 0.00 55.69 55.19 2kl8 s MET 3 Cb -0.08 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.45 2kl8 s MET 3 CO 0.14 -0.08 -0.04 -0.51 -2.03 0.00 0.00 175.02 172.49 2kl8 s ASP 4 N -0.17 4.33 -0.25 -1.18 1.11 0.08 -0.58 116.67 120.00 2kl8 s ASP 4 Ca -0.03 -0.55 -0.01 0.00 0.18 0.00 0.00 52.55 52.14 2kl8 s ASP 4 Cb -0.03 -1.72 0.03 0.00 1.07 0.00 0.00 42.92 42.27 2kl8 s ASP 4 CO 0.01 -0.06 -0.07 -0.63 1.18 0.00 0.00 175.17 175.60 2kl8 s ILE 5 N 1.44 2.76 -0.22 0.77 1.01 0.12 0.18 121.20 127.25 2kl8 s ILE 5 Ca 0.04 -1.11 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 2kl8 s ILE 5 Cb -0.15 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2kl8 s ILE 5 CO -0.03 0.17 0.01 -0.13 0.00 0.00 0.00 174.94 174.95 2kl8 s ARG 6 N 1.29 3.54 0.17 2.79 3.00 -0.33 -0.59 118.95 128.83 2kl8 s ARG 6 Ca -0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 55.73 55.12 2kl8 s ARG 6 Cb -0.17 -3.13 -0.06 0.00 0.00 0.00 0.00 34.95 31.59 2kl8 s ARG 6 CO -0.05 -0.12 0.42 -0.06 0.00 0.00 0.00 175.30 175.49 2kl8 s PHE 7 N 1.36 3.46 -0.07 -0.53 0.40 0.22 -0.79 117.98 122.02 2kl8 s PHE 7 Ca 0.04 0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 56.98 2kl8 s PHE 7 Cb -0.15 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.36 2kl8 s PHE 7 CO 0.01 0.39 0.13 0.50 0.70 0.00 0.00 175.22 176.94 2kl8 s ARG 8 N -2.73 0.00 -0.06 0.44 6.06 0.15 -0.61 118.95 122.21 2kl8 s ARG 8 Ca 0.43 0.50 -0.28 0.00 -2.50 0.00 0.00 55.73 53.88 2kl8 s ARG 8 Cb -0.12 -0.34 0.09 0.00 0.06 0.00 0.00 34.95 34.64 2kl8 s ARG 8 CO 0.24 -0.31 1.25 0.41 -2.50 0.00 0.00 175.30 174.39 2kl8 n GLY 9 N 5.27 0.16 0.00 8.12 0.00 -0.61 0.00 105.19 118.14 2kl8 n GLY 9 Ca -0.05 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.02 2kl8 n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kl8 n ASP 10 N -0.97 1.73 -4.60 1.61 5.75 -1.26 -4.33 116.55 114.48 2kl8 n ASP 10 Ca 0.05 -0.20 -0.43 0.00 -0.01 0.00 0.00 54.79 54.21 2kl8 n ASP 10 Cb 0.54 1.43 -0.02 0.00 -1.03 0.00 0.00 41.12 42.04 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 -3.12 6.24 0.20 -1.12 -1.08 -1.26 -4.90 116.67 111.63 2kl8 s ASP 11 Ca -0.02 0.95 -0.10 0.00 -0.52 0.00 0.00 52.55 52.86 2kl8 s ASP 11 Cb 0.08 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 39.13 2kl8 s ASP 11 CO 0.52 -1.49 1.79 0.25 0.52 0.00 0.00 175.17 176.76 2kl8 h LEU 12 N 12.49 0.93 -0.98 -1.34 5.85 -1.96 -2.71 115.31 127.60 2kl8 h LEU 12 Ca -0.29 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 2kl8 h LEU 12 Cb 1.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2kl8 h LEU 12 CO 1.07 0.80 -0.17 -0.33 -0.34 0.00 0.00 178.44 179.48 2kl8 h GLU 13 N 0.99 0.54 -0.82 1.25 3.07 -2.00 -3.00 114.58 114.62 2kl8 h GLU 13 Ca 0.24 -0.18 0.11 0.00 -0.50 0.00 0.00 59.36 59.03 2kl8 h GLU 13 Cb 0.12 -0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 27.90 2kl8 h GLU 13 CO -0.03 0.69 0.45 0.00 -1.40 0.00 0.00 179.01 178.72 2kl8 h ALA 14 N 1.33 1.18 -0.04 3.43 0.00 -1.80 0.10 119.26 123.45 2kl8 h ALA 14 Ca 0.08 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2kl8 h ALA 14 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2kl8 h ALA 14 CO 0.04 0.04 -0.13 0.74 0.00 0.00 0.00 179.25 179.94 2kl8 h PHE 15 N 0.73 -0.33 -0.32 0.00 0.04 -1.53 -0.37 116.94 115.16 2kl8 h PHE 15 Ca 0.41 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.15 2kl8 h PHE 15 Cb 0.43 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2kl8 h PHE 15 CO -0.07 -0.19 0.05 1.49 -0.60 0.00 0.00 178.31 178.98 2kl8 h GLU 16 N -0.20 0.54 -0.91 1.51 4.81 -1.47 -0.01 114.58 118.85 2kl8 h GLU 16 Ca 0.06 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2kl8 h GLU 16 Cb 0.28 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 2kl8 h GLU 16 CO -0.16 0.63 0.59 0.87 -0.73 0.00 0.00 179.01 180.21 2kl8 h LYS 17 N 0.36 1.04 0.10 1.92 1.79 -0.64 0.30 116.57 121.44 2kl8 h LYS 17 Ca 0.10 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2kl8 h LYS 17 Cb 0.35 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2kl8 h LYS 17 CO 0.01 0.69 -0.05 0.00 -1.08 0.00 0.00 179.45 179.02 2kl8 h ALA 18 N 1.49 -0.13 -0.39 3.86 0.00 -0.95 -3.31 119.26 119.83 2kl8 h ALA 18 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kl8 h ALA 18 Cb 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2kl8 h ALA 18 CO -0.14 -0.22 0.26 1.25 0.00 0.00 0.00 179.25 180.40 2kl8 h LEU 19 N -0.83 0.45 -1.01 0.00 5.85 -0.79 -2.69 115.31 116.29 2kl8 h LEU 19 Ca -0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2kl8 h LEU 19 Cb 0.58 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2kl8 h LEU 19 CO 0.02 0.33 0.66 0.50 -0.34 0.00 0.00 178.44 179.61 2kl8 h LYS 20 N 0.53 1.24 -0.13 1.25 1.63 -0.55 0.50 116.57 121.04 2kl8 h LYS 20 Ca 0.14 -0.07 -0.22 0.00 -0.85 0.00 0.00 60.65 59.65 2kl8 h LYS 20 Cb -0.06 -0.28 0.01 0.00 -0.60 0.00 0.00 32.23 31.30 2kl8 h LYS 20 CO -0.03 0.82 -0.78 0.93 -3.45 0.00 0.00 179.45 176.94 2kl8 h GLU 21 N 1.27 0.71 -0.40 1.90 4.39 -1.63 0.89 114.58 121.71 2kl8 h GLU 21 Ca 0.40 -0.59 0.03 0.00 0.34 0.00 0.00 59.36 59.54 2kl8 h GLU 21 Cb 0.01 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2kl8 h GLU 21 CO -0.13 1.20 0.21 0.52 -1.16 0.00 0.00 179.01 179.65 2kl8 h MET 22 N 0.48 0.42 -0.67 2.33 2.86 -1.05 -1.35 114.93 117.95 2kl8 h MET 22 Ca -0.05 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 2kl8 h MET 22 Cb 1.40 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 2kl8 h MET 22 CO 0.16 0.28 0.14 0.82 1.06 0.00 0.00 176.91 179.36 2kl8 h ILE 23 N 0.43 1.26 -0.31 -1.22 2.04 -0.88 -0.86 117.51 117.97 2kl8 h ILE 23 Ca 0.17 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.12 2kl8 h ILE 23 Cb 0.06 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 2kl8 h ILE 23 CO -0.11 0.37 -0.08 -0.09 0.00 0.00 0.00 178.15 178.24 2kl8 h ARG 24 N 1.02 -0.01 -0.07 2.37 9.65 -0.26 0.19 114.38 127.27 2kl8 h ARG 24 Ca 0.21 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 2kl8 h ARG 24 Cb 0.38 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2kl8 h ARG 24 CO 0.01 -0.01 -0.01 1.96 2.80 0.00 0.00 179.97 184.72 2kl8 h GLN 25 N -0.01 0.13 -0.60 0.20 1.08 -1.17 -3.22 115.11 111.52 2kl8 h GLN 25 Ca 0.15 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.39 2kl8 h GLN 25 Cb 0.24 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 2kl8 h GLN 25 CO -0.33 0.44 0.40 0.00 -0.95 0.00 0.00 178.83 178.40 2kl8 h ALA 26 N 0.68 1.94 -0.06 3.87 0.00 -0.77 -0.79 119.26 124.13 2kl8 h ALA 26 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kl8 h ALA 26 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kl8 h ALA 26 CO 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.25 2kl8 h ARG 27 N 0.47 0.00 0.00 0.00 3.08 -0.65 -0.52 114.38 116.77 2kl8 h ARG 27 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2kl8 h ARG 27 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2kl8 h ARG 27 CO -0.08 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.69 2kl8 h LYS 28 N 0.00 0.00 -6.15 0.04 1.79 -1.25 -3.45 116.57 107.55 2kl8 h LYS 28 Ca 0.03 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.83 2kl8 h LYS 28 Cb 0.14 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.64 2kl8 h LYS 28 CO -0.00 0.00 -0.65 -0.06 -1.08 0.00 0.00 179.45 177.66 2kl8 s PHE 29 N -3.30 3.05 -1.03 -1.35 0.08 -0.20 -5.06 117.98 110.17 2kl8 s PHE 29 Ca 0.06 0.07 -0.23 0.00 0.12 0.00 0.00 56.93 56.96 2kl8 s PHE 29 Cb 0.08 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2kl8 s PHE 29 CO 0.59 0.44 1.45 0.00 -0.10 0.00 0.00 175.22 177.61 2kl8 s ALA 30 N -1.03 2.76 0.00 5.36 0.00 -1.26 -4.88 121.76 122.70 2kl8 s ALA 30 Ca 0.18 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2kl8 s ALA 30 Cb -0.11 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2kl8 s ALA 30 CO 0.08 -3.59 0.00 0.41 0.00 0.00 0.00 175.76 172.67 2kl8 n GLY 31 N 6.79 3.61 2.83 0.00 0.00 -1.26 -4.94 105.19 112.22 2kl8 n GLY 31 Ca 0.33 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.70 0.19 -0.16 2.61 2.01 -0.74 -5.04 115.64 112.81 2kl8 s THR 32 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2kl8 s THR 32 Cb 0.00 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.27 2kl8 s THR 32 CO 0.00 0.13 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.25 2kl8 s VAL 33 N 0.86 1.55 -0.16 3.82 1.01 -1.26 -0.42 120.40 125.79 2kl8 s VAL 33 Ca -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2kl8 s VAL 33 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2kl8 s VAL 33 CO -0.01 0.38 -0.01 0.42 0.00 0.00 0.00 175.10 175.88 2kl8 s THR 34 N 1.48 4.17 0.01 3.92 -4.23 -0.12 -4.95 115.64 115.92 2kl8 s THR 34 Ca 0.03 -0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2kl8 s THR 34 Cb -0.14 -2.85 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 2kl8 s THR 34 CO -0.10 0.48 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.64 2kl8 s TYR 35 N 0.38 0.86 -0.01 3.99 -0.85 -1.26 -0.00 117.35 120.46 2kl8 s TYR 35 Ca -0.02 -0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 2kl8 s TYR 35 Cb -0.14 -0.54 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 2kl8 s TYR 35 CO 0.02 -0.01 -0.08 0.95 -1.52 0.00 0.00 175.55 174.91 2kl8 s THR 36 N -0.52 0.69 -0.10 -3.49 -4.23 -0.45 -4.98 115.64 102.57 2kl8 s THR 36 Ca 0.01 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2kl8 s THR 36 Cb -0.05 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 2kl8 s THR 36 CO 0.00 0.21 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.43 2kl8 s LEU 37 N 0.00 2.93 -0.33 4.79 2.01 -1.26 -1.33 118.68 125.49 2kl8 s LEU 37 Ca 0.00 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 53.98 2kl8 s LEU 37 Cb -0.06 -1.65 0.15 0.00 0.01 0.00 0.00 46.19 44.65 2kl8 s LEU 37 CO -0.00 0.25 0.38 -0.62 1.01 0.00 0.00 176.35 177.37 2kl8 s ASP 38 N -0.15 0.86 0.00 2.29 2.15 -0.25 -5.01 116.67 116.56 2kl8 s ASP 38 Ca 0.01 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.05 2kl8 s ASP 38 Cb -0.13 0.82 0.00 0.00 -0.30 0.00 0.00 42.92 43.30 2kl8 s ASP 38 CO 0.03 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2kl8 n GLY 39 N 4.89 0.67 0.00 2.66 0.00 -1.26 -1.27 105.19 110.88 2kl8 n GLY 39 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 2.14 0.56 -4.75 1.61 5.03 -1.26 -4.90 115.26 113.68 2kl8 n ASN 40 Ca 0.00 -0.79 -0.36 0.00 0.87 0.00 0.00 54.58 54.30 2kl8 n ASN 40 Cb 0.00 0.32 -0.08 0.00 -1.02 0.00 0.00 39.78 39.00 2kl8 n ASN 40 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2kl8 s ASP 41 N -0.32 5.98 -0.32 6.41 1.11 -0.39 -1.57 116.67 127.57 2kl8 s ASP 41 Ca 0.00 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.00 2kl8 s ASP 41 Cb 0.00 -1.96 0.10 0.00 1.07 0.00 0.00 42.92 42.13 2kl8 s ASP 41 CO 0.00 0.29 0.09 -0.22 1.18 0.00 0.00 175.17 176.51 2kl8 s LEU 42 N -0.31 2.88 -0.54 1.23 2.96 0.22 -1.09 118.68 124.04 2kl8 s LEU 42 Ca 0.10 -1.78 -0.21 0.00 -0.22 0.00 0.00 54.13 52.03 2kl8 s LEU 42 Cb -0.12 -1.06 0.06 0.00 0.50 0.00 0.00 46.19 45.57 2kl8 s LEU 42 CO 0.01 -0.41 0.74 -1.61 -1.32 0.00 0.00 176.35 173.76 2kl8 s GLU 43 N 1.43 3.16 -0.20 1.98 2.02 -0.44 -0.61 118.70 126.04 2kl8 s GLU 43 Ca 0.10 -0.79 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 2kl8 s GLU 43 Cb -0.18 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 2kl8 s GLU 43 CO -0.21 -1.37 0.10 0.42 0.02 0.00 0.00 175.26 174.22 2kl8 s ILE 44 N 3.06 5.04 -0.21 -1.63 1.01 0.25 -1.33 121.20 127.39 2kl8 s ILE 44 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2kl8 s ILE 44 Cb -0.18 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.04 2kl8 s ILE 44 CO 0.13 0.43 -0.07 -0.60 0.00 0.00 0.00 174.94 174.83 2kl8 s ARG 45 N 0.52 1.69 -0.32 2.79 3.52 0.99 0.13 118.95 128.28 2kl8 s ARG 45 Ca 0.05 -0.83 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 2kl8 s ARG 45 Cb -0.12 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2kl8 s ARG 45 CO 0.00 -0.51 0.15 0.42 -0.81 0.00 0.00 175.30 174.56 2kl8 s ILE 46 N 1.46 4.52 -0.33 4.11 1.01 0.25 -0.94 121.20 131.27 2kl8 s ILE 46 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 2kl8 s ILE 46 Cb -0.17 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2kl8 s ILE 46 CO -0.07 0.01 0.15 -0.89 0.00 0.00 0.00 174.94 174.14 2kl8 s THR 47 N 1.59 4.47 0.00 2.92 2.01 0.44 -1.20 115.64 125.87 2kl8 s THR 47 Ca 0.04 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2kl8 s THR 47 Cb -0.17 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.98 2kl8 s THR 47 CO 0.06 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2kl8 n GLY 48 N 4.96 4.00 3.63 4.40 0.00 -0.40 -1.80 105.19 119.98 2kl8 n GLY 48 Ca -0.13 -0.87 -0.50 0.00 0.00 0.00 0.00 46.02 44.51 2kl8 n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kl8 n VAL 49 N 0.00 0.05 -1.47 1.61 0.24 -1.21 -3.88 118.33 113.67 2kl8 n VAL 49 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2kl8 n VAL 49 Cb 0.00 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 2kl8 n VAL 49 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2kl8 n PRO 50 N 3.20 0.36 0.00 7.34 -0.04 -1.26 -4.42 135.00 140.19 2kl8 n PRO 50 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kl8 n PRO 50 Cb 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 2kl8 n PRO 50 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kl8 n GLU 51 N -0.93 0.00 -0.28 0.54 4.07 -1.26 -0.37 120.64 122.41 2kl8 n GLU 51 Ca 0.00 0.69 0.24 0.00 -0.06 0.00 0.00 57.16 58.02 2kl8 n GLU 51 Cb 0.00 -1.40 0.56 0.00 -0.06 0.00 0.00 31.44 30.54 2kl8 n GLU 51 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2kl8 h GLN 52 N 0.00 0.30 0.15 5.31 3.07 -2.02 0.74 115.11 122.66 2kl8 h GLN 52 Ca 0.00 -0.02 -0.29 0.00 0.09 0.00 0.00 58.65 58.43 2kl8 h GLN 52 Cb 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 27.50 2kl8 h GLN 52 CO 0.00 0.20 -1.31 0.28 0.09 0.00 0.00 178.83 178.09 2kl8 h VAL 53 N 0.31 1.44 -0.12 1.86 2.07 -1.88 -3.33 116.25 116.60 2kl8 h VAL 53 Ca 0.53 -2.98 0.04 0.00 0.82 0.00 0.00 66.70 65.11 2kl8 h VAL 53 Cb 1.51 2.96 -0.05 0.00 -1.52 0.00 0.00 31.29 34.19 2kl8 h VAL 53 CO -0.19 0.87 -0.20 -0.09 0.02 0.00 0.00 177.57 177.98 2kl8 h ARG 54 N 0.09 -0.25 -0.42 1.57 9.65 0.18 -0.55 114.38 124.65 2kl8 h ARG 54 Ca -0.17 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 2kl8 h ARG 54 Cb 2.02 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.63 2kl8 h ARG 54 CO 0.22 -0.17 0.18 1.57 2.80 0.00 0.00 179.97 184.57 2kl8 h LYS 55 N -0.26 0.59 -0.21 0.20 2.10 -1.68 -1.80 116.57 115.51 2kl8 h LYS 55 Ca 0.10 -0.07 -0.14 0.00 -2.00 0.00 0.00 60.65 58.53 2kl8 h LYS 55 Cb 0.40 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2kl8 h LYS 55 CO -0.27 0.48 -0.43 0.93 -2.00 0.00 0.00 179.45 178.16 2kl8 h GLU 56 N 0.59 0.66 -0.34 0.07 4.39 -1.47 -1.59 114.58 116.90 2kl8 h GLU 56 Ca 0.15 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2kl8 h GLU 56 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2kl8 h GLU 56 CO -0.02 1.05 0.09 -0.07 -1.16 0.00 0.00 179.01 178.90 2kl8 h LEU 57 N 0.36 0.51 -0.66 1.33 3.38 -0.91 0.19 115.31 119.50 2kl8 h LEU 57 Ca 0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2kl8 h LEU 57 Cb 1.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2kl8 h LEU 57 CO 0.10 0.60 0.43 0.00 0.09 0.00 0.00 178.44 179.65 2kl8 h ALA 58 N 0.93 0.84 -0.42 1.53 0.00 -1.37 -2.03 119.26 118.74 2kl8 h ALA 58 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kl8 h ALA 58 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kl8 h ALA 58 CO 0.00 0.29 0.06 -0.22 0.00 0.00 0.00 179.25 179.37 2kl8 h LYS 59 N 0.90 0.64 -0.42 0.00 3.64 -1.10 -3.04 116.57 117.20 2kl8 h LYS 59 Ca 0.24 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2kl8 h LYS 59 Cb -0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2kl8 h LYS 59 CO -0.05 0.62 -0.07 1.49 -2.27 0.00 0.00 179.45 179.17 2kl8 h GLU 60 N 0.62 0.78 -0.95 1.90 4.57 -0.42 -3.03 114.58 118.04 2kl8 h GLU 60 Ca 0.14 -0.29 0.16 0.00 -1.18 0.00 0.00 59.36 58.19 2kl8 h GLU 60 Cb 0.31 -0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.75 2kl8 h GLU 60 CO 0.00 0.90 0.56 0.00 -1.18 0.00 0.00 179.01 179.29 2kl8 h ALA 61 N 0.86 1.51 0.05 2.92 0.00 -1.26 -0.45 119.26 122.89 2kl8 h ALA 61 Ca 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kl8 h ALA 61 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kl8 h ALA 61 CO 0.04 -0.01 -0.02 0.93 0.00 0.00 0.00 179.25 180.18 2kl8 h GLU 62 N 0.76 -0.07 -0.09 0.00 4.39 -1.54 -0.44 114.58 117.59 2kl8 h GLU 62 Ca 0.53 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.27 2kl8 h GLU 62 Cb 0.74 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 2kl8 h GLU 62 CO -0.35 0.04 -0.13 -0.09 -1.16 0.00 0.00 179.01 177.31 2kl8 h ARG 63 N -0.16 -0.17 -0.91 2.33 2.43 -1.33 -1.67 114.38 114.91 2kl8 h ARG 63 Ca -0.01 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2kl8 h ARG 63 Cb 0.13 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 2kl8 h ARG 63 CO 0.01 -0.12 0.55 -0.07 -1.51 0.00 0.00 179.97 178.84 2kl8 h LEU 64 N -0.18 0.82 0.08 3.80 3.38 -1.00 -2.67 115.31 119.54 2kl8 h LEU 64 Ca 0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kl8 h LEU 64 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kl8 h LEU 64 CO -0.20 0.47 -0.04 0.00 0.09 0.00 0.00 178.44 178.76 2kl8 h ALA 65 N 1.48 -0.10 0.81 1.53 0.00 -0.69 -3.09 119.26 119.21 2kl8 h ALA 65 Ca 0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2kl8 h ALA 65 Cb 0.37 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kl8 h ALA 65 CO -0.24 -0.44 -0.39 0.87 0.00 0.00 0.00 179.25 179.05 2kl8 h LYS 66 N -0.33 -1.05 0.00 0.00 1.79 -0.98 -0.42 116.57 115.57 2kl8 h LYS 66 Ca -0.01 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kl8 h LYS 66 Cb 0.29 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2kl8 h LYS 66 CO 0.02 -0.70 0.00 1.05 -1.08 0.00 0.00 179.45 178.74 2kl8 h GLU 67 N -1.24 0.00 -0.63 3.15 4.11 -1.67 -2.59 114.58 115.72 2kl8 h GLU 67 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2kl8 h GLU 67 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2kl8 h GLU 67 CO 0.18 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.45 2kl8 n PHE 68 N -2.42 0.83 -3.07 2.06 3.72 -1.17 -4.97 117.46 112.44 2kl8 n PHE 68 Ca 0.04 -0.43 -0.22 0.00 -0.05 0.00 0.00 57.45 56.79 2kl8 n PHE 68 Cb 0.36 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.58 -6.11 -4.26 4.37 3.02 -0.91 -4.84 115.26 108.11 2kl8 n ASN 69 Ca 0.23 -0.31 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 2kl8 n ASN 69 Cb 0.61 -4.90 -0.13 0.00 -0.61 0.00 0.00 39.78 34.76 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 -3.19 1.60 0.11 2.41 -4.36 -0.21 -4.78 121.20 112.77 2kl8 s ILE 70 Ca 0.33 -1.46 -0.22 0.00 -0.26 0.00 0.00 60.65 59.04 2kl8 s ILE 70 Cb -0.15 -1.46 -0.07 0.00 1.25 0.00 0.00 42.46 42.04 2kl8 s ILE 70 CO 0.41 -0.06 0.66 -0.89 0.24 0.00 0.00 174.94 175.30 2kl8 s THR 71 N -1.13 4.59 -0.12 8.37 2.01 0.10 -4.26 115.64 125.20 2kl8 s THR 71 Ca 0.05 1.43 0.01 0.00 0.31 0.00 0.00 61.69 63.49 2kl8 s THR 71 Cb -0.10 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.43 2kl8 s THR 71 CO 0.04 0.53 -0.13 0.54 -0.69 0.00 0.00 174.62 174.91 2kl8 s VAL 72 N -1.05 1.39 -0.16 3.82 0.11 -1.26 0.34 120.40 123.59 2kl8 s VAL 72 Ca 0.32 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 2kl8 s VAL 72 Cb -0.21 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 2kl8 s VAL 72 CO 0.22 0.43 -0.19 0.42 -3.33 0.00 0.00 175.10 172.64 2kl8 s THR 73 N 1.36 1.93 0.02 5.04 -4.23 0.03 -5.00 115.64 114.79 2kl8 s THR 73 Ca 0.01 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 2kl8 s THR 73 Cb -0.13 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2kl8 s THR 73 CO -0.07 0.52 -0.24 -0.72 -0.54 0.00 0.00 174.62 173.58 2kl8 s TYR 74 N 1.18 2.09 -0.16 3.99 -0.85 -1.26 -1.19 117.35 121.15 2kl8 s TYR 74 Ca 0.01 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.17 2kl8 s TYR 74 Cb -0.14 -1.28 0.02 0.00 0.38 0.00 0.00 41.96 40.94 2kl8 s TYR 74 CO -0.09 0.06 -0.17 0.99 -1.52 0.00 0.00 175.55 174.83 2kl8 s THR 75 N -0.72 1.78 0.05 -3.49 2.01 0.13 -4.99 115.64 110.41 2kl8 s THR 75 Ca 0.10 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.41 2kl8 s THR 75 Cb -0.09 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2kl8 s THR 75 CO 0.01 0.49 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.57 2kl8 s ILE 76 N 1.38 2.35 -0.24 1.82 1.01 -1.26 -0.74 121.20 125.52 2kl8 s ILE 76 Ca 0.04 -1.34 0.01 0.00 0.00 0.00 0.00 60.65 59.36 2kl8 s ILE 76 Cb -0.13 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.45 2kl8 s ILE 76 CO -0.11 0.34 -0.08 -0.13 0.00 0.00 0.00 174.94 174.97 2kl8 s ARG 77 N -1.34 1.87 -0.26 2.79 1.81 -1.24 -5.03 118.95 117.55 2kl8 s ARG 77 Ca 0.13 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 2kl8 s ARG 77 Cb -0.10 -2.67 0.04 0.00 -0.45 0.00 0.00 34.95 31.77 2kl8 s ARG 77 CO 0.03 -0.57 -0.08 -1.17 -0.68 0.00 0.00 175.30 172.83 2kl8 s LEU 78 N 1.30 3.31 -0.72 2.53 2.96 -1.26 -4.34 118.68 122.46 2kl8 s LEU 78 Ca -0.06 -1.11 -0.26 0.00 -0.22 0.00 0.00 54.13 52.48 2kl8 s LEU 78 Cb -0.19 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 2kl8 s LEU 78 CO -0.06 -0.16 2.00 -0.70 -1.32 0.00 0.00 176.35 176.11 2kl8 s GLU 79 N 1.23 2.45 -0.12 1.98 2.12 -1.26 -4.94 118.70 120.15 2kl8 s GLU 79 Ca -0.03 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.69 2kl8 s GLU 79 Cb -0.18 -4.69 -0.00 0.00 0.26 0.00 0.00 34.13 29.52 2kl8 s GLU 79 CO -0.05 -3.18 -0.20 -3.38 -0.54 0.00 0.00 175.26 167.91 2kl8 s HIS 80 N 10.32 2.67 0.29 5.30 -3.43 -1.26 -5.12 115.29 124.06 2kl8 s HIS 80 Ca 0.74 -1.01 -0.28 0.00 -0.80 0.00 0.00 55.06 53.71 2kl8 s HIS 80 Cb -0.11 -1.78 -0.09 0.00 -1.43 0.00 0.00 32.58 29.16 2kl8 s HIS 80 CO 0.13 -0.42 0.96 -1.58 -2.00 0.00 0.00 174.74 171.83 2kl8 s HIS 81 N 0.50 3.77 -0.19 0.38 2.46 -1.26 -4.98 115.29 115.98 2kl8 s HIS 81 Ca -0.13 1.82 -0.29 0.00 0.47 0.00 0.00 55.06 56.93 2kl8 s HIS 81 Cb -0.17 -2.99 -0.05 0.00 -0.13 0.00 0.00 32.58 29.24 2kl8 s HIS 81 CO 0.05 0.19 1.96 -1.01 -2.47 0.00 0.00 174.74 173.45 2kl8 s HIS 82 N -1.40 1.52 0.19 3.88 3.76 -1.26 -4.88 115.29 117.09 2kl8 s HIS 82 Ca 0.46 0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 55.66 2kl8 s HIS 82 Cb -0.23 -4.04 0.11 0.00 1.11 0.00 0.00 32.58 29.53 2kl8 s HIS 82 CO 0.29 -3.92 1.61 0.45 -0.85 0.00 0.00 174.74 172.32 2kl8 h HIS 83 N 12.80 1.03 -2.40 1.40 -0.00 -2.07 -3.44 115.15 122.47 2kl8 h HIS 83 Ca -0.40 -0.22 -0.54 0.00 -0.00 0.00 0.00 60.37 59.21 2kl8 h HIS 83 Cb 1.21 -0.25 -0.14 0.00 -0.00 0.00 0.00 27.41 28.23 2kl8 h HIS 83 CO 0.94 1.00 -0.69 -1.01 -0.00 0.00 0.00 177.93 178.17 2kl8 s HIS 84 N -4.73 2.11 -2.00 2.45 3.76 -1.26 -5.35 115.29 110.27 2kl8 s HIS 84 Ca -0.10 -0.58 0.27 0.00 -0.15 0.00 0.00 55.06 54.49 2kl8 s HIS 84 Cb 0.13 -1.15 1.59 0.00 1.11 0.00 0.00 32.58 34.26 2kl8 s HIS 84 CO 0.85 0.44 1.94 0.72 -0.85 0.00 0.00 174.74 177.83