#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl5 s ILE 2 N 0.00 5.51 -0.50 1.12 -1.09 -1.26 -4.93 121.20 120.05 2kl5 s ILE 2 Ca 0.00 -2.57 -0.24 0.00 -2.23 0.00 0.00 60.65 55.60 2kl5 s ILE 2 Cb 0.00 -4.60 0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2kl5 s ILE 2 CO 0.00 -1.21 0.89 -0.83 -1.23 0.00 0.00 174.94 172.57 2kl5 s GLY 3 N 2.26 1.48 -0.84 6.18 0.00 -1.26 -4.97 107.32 110.17 2kl5 s GLY 3 Ca 0.26 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.66 2kl5 s GLY 3 CO -0.08 1.97 2.16 1.06 0.00 0.00 0.00 173.10 178.22 2kl5 s MET 4 N 3.71 2.11 -1.58 2.90 1.00 -1.26 -4.83 119.30 121.36 2kl5 s MET 4 Ca 0.32 0.10 -0.10 0.00 0.00 0.00 0.00 55.69 56.01 2kl5 s MET 4 Cb -0.12 -4.92 -0.05 0.00 0.00 0.00 0.00 34.83 29.74 2kl5 s MET 4 CO 0.22 -3.85 2.81 -1.13 0.00 0.00 0.00 175.02 173.06 2kl5 n SER 5 N 16.12 7.91 -4.46 3.03 3.41 -1.26 -4.84 113.62 133.53 2kl5 n SER 5 Ca 0.43 -2.65 -0.44 0.00 -0.26 0.00 0.00 58.87 55.95 2kl5 n SER 5 Cb 0.45 -1.56 -0.00 0.00 -0.26 0.00 0.00 64.21 62.84 2kl5 n SER 5 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kl5 s GLU 6 N 2.14 4.06 -0.05 4.33 2.12 -1.26 -4.71 118.70 125.33 2kl5 s GLU 6 Ca 0.65 -2.52 -0.05 0.00 0.36 0.00 0.00 54.97 53.41 2kl5 s GLU 6 Cb 0.17 -5.06 -0.02 0.00 0.26 0.00 0.00 34.13 29.49 2kl5 s GLU 6 CO -0.07 -1.77 -0.10 1.17 -0.54 0.00 0.00 175.26 173.95 2kl5 n LYS 7 N 5.74 0.16 -3.59 4.30 4.81 -1.26 -5.09 118.16 123.23 2kl5 n LYS 7 Ca 0.36 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.79 2kl5 n LYS 7 Cb 0.43 -0.84 -0.06 0.00 0.02 0.00 0.00 35.03 34.58 2kl5 n LYS 7 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kl5 s ARG 8 N -1.55 0.76 -0.17 1.64 3.52 -1.26 -5.18 118.95 116.71 2kl5 s ARG 8 Ca -0.08 0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.73 2kl5 s ARG 8 Cb 0.01 0.37 0.13 0.00 -1.56 0.00 0.00 34.95 33.89 2kl5 s ARG 8 CO 0.12 -0.17 1.00 0.20 -0.81 0.00 0.00 175.30 175.64 2kl5 s GLY 9 N -0.42 -0.26 -0.01 8.12 0.00 -1.26 -5.09 107.32 108.40 2kl5 s GLY 9 Ca -0.03 2.09 -0.05 0.00 0.00 0.00 0.00 44.72 46.74 2kl5 s GLY 9 CO 0.02 1.12 -0.09 -2.21 0.00 0.00 0.00 173.10 171.93 2kl5 n GLU 10 N 0.89 0.14 -3.43 2.90 4.07 -1.26 -4.99 120.64 118.96 2kl5 n GLU 10 Ca -0.11 0.06 -0.23 0.00 -0.06 0.00 0.00 57.16 56.82 2kl5 n GLU 10 Cb 0.58 -0.63 -0.11 0.00 -0.06 0.00 0.00 31.44 31.22 2kl5 n GLU 10 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kl5 s ILE 11 N -1.84 -0.14 -0.26 6.31 1.01 -1.26 -5.06 121.20 119.96 2kl5 s ILE 11 Ca -0.08 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 2kl5 s ILE 11 Cb 0.01 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2kl5 s ILE 11 CO 0.11 -0.73 0.22 0.00 0.00 0.00 0.00 174.94 174.54 2kl5 s MET 12 N 1.56 4.02 -0.45 2.79 0.23 -1.26 -0.76 119.30 125.43 2kl5 s MET 12 Ca 0.15 -0.22 -0.09 0.00 -1.03 0.00 0.00 55.69 54.50 2kl5 s MET 12 Cb -0.18 -3.61 0.11 0.00 -1.53 0.00 0.00 34.83 29.62 2kl5 s MET 12 CO -0.12 -0.10 0.31 0.42 -2.03 0.00 0.00 175.02 173.51 2kl5 s ILE 13 N 1.52 4.14 -0.42 3.16 -1.09 0.11 -4.92 121.20 123.70 2kl5 s ILE 13 Ca 0.09 -1.71 -0.20 0.00 -2.23 0.00 0.00 60.65 56.60 2kl5 s ILE 13 Cb -0.15 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 2kl5 s ILE 13 CO 0.08 -0.70 0.59 -0.76 -1.23 0.00 0.00 174.94 172.92 2kl5 s LEU 14 N 1.36 4.52 -0.04 2.97 1.02 -1.26 -0.63 118.68 126.63 2kl5 s LEU 14 Ca 0.05 -0.31 -0.02 0.00 0.02 0.00 0.00 54.13 53.87 2kl5 s LEU 14 Cb -0.25 -2.65 0.02 0.00 0.02 0.00 0.00 46.19 43.33 2kl5 s LEU 14 CO -0.00 -0.69 0.08 -0.51 0.02 0.00 0.00 176.35 175.25 2kl5 s ILE 15 N 2.63 -0.03 -1.55 -0.59 2.07 -0.14 -4.88 121.20 118.70 2kl5 s ILE 15 Ca 0.20 0.12 -0.14 0.00 -1.41 0.00 0.00 60.65 59.42 2kl5 s ILE 15 Cb -0.15 -0.14 0.09 0.00 0.13 0.00 0.00 42.46 42.39 2kl5 s ILE 15 CO 0.17 0.05 0.97 0.00 -1.91 0.00 0.00 174.94 174.22 2kl5 n GLN 16 N 3.73 -5.37 -3.61 3.50 1.13 -1.26 -0.27 117.38 115.23 2kl5 n GLN 16 Ca -0.21 0.58 -0.23 0.00 -1.94 0.00 0.00 57.00 55.21 2kl5 n GLN 16 Cb 0.54 -5.47 0.07 0.00 0.11 0.00 0.00 30.24 25.50 2kl5 n GLN 16 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2kl5 n ASN 17 N -2.81 -4.36 -3.66 1.08 3.02 -1.26 -5.01 115.26 102.26 2kl5 n ASN 17 Ca 0.05 -0.63 -0.21 0.00 -0.03 0.00 0.00 54.58 53.77 2kl5 n ASN 17 Cb 0.52 -4.79 -0.18 0.00 -0.61 0.00 0.00 39.78 34.72 2kl5 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kl5 s ALA 18 N -3.37 0.22 -0.33 5.41 0.00 0.63 -5.10 121.76 119.23 2kl5 s ALA 18 Ca 0.37 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 2kl5 s ALA 18 Cb -0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 2kl5 s ALA 18 CO 0.75 -0.60 0.53 -2.00 0.00 0.00 0.00 175.76 174.44 2kl5 s GLU 19 N 2.18 3.75 0.37 0.00 2.12 -1.26 -0.97 118.70 124.89 2kl5 s GLU 19 Ca 0.04 -0.00 0.08 0.00 0.36 0.00 0.00 54.97 55.45 2kl5 s GLU 19 Cb -0.13 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2kl5 s GLU 19 CO -0.04 -0.57 0.09 -0.06 -0.54 0.00 0.00 175.26 174.13 2kl5 s PHE 20 N 2.41 2.59 0.02 5.30 0.08 0.20 -0.29 117.98 128.29 2kl5 s PHE 20 Ca 0.20 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 56.77 2kl5 s PHE 20 Cb -0.15 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2kl5 s PHE 20 CO 0.12 0.35 -0.08 -1.83 -0.10 0.00 0.00 175.22 173.68 2kl5 s GLU 21 N -3.80 0.61 -0.70 0.44 -1.05 0.75 0.09 118.70 115.04 2kl5 s GLU 21 Ca 0.37 -0.49 -0.26 0.00 -0.15 0.00 0.00 54.97 54.44 2kl5 s GLU 21 Cb 0.02 -0.53 0.04 0.00 -0.44 0.00 0.00 34.13 33.22 2kl5 s GLU 21 CO 0.21 0.13 1.18 -1.17 0.95 0.00 0.00 175.26 176.56 2kl5 s LEU 22 N -0.77 3.51 0.02 1.83 2.96 0.06 -0.79 118.68 125.50 2kl5 s LEU 22 Ca -0.01 -0.51 0.12 0.00 -0.22 0.00 0.00 54.13 53.51 2kl5 s LEU 22 Cb -0.06 -2.60 -0.20 0.00 0.50 0.00 0.00 46.19 43.83 2kl5 s LEU 22 CO 0.00 -1.68 0.84 -0.37 -1.32 0.00 0.00 176.35 173.82 2kl5 h VAL 23 N 6.03 0.96 -3.07 1.68 -1.51 -1.60 -3.44 116.25 115.31 2kl5 h VAL 23 Ca -0.28 -2.72 -0.19 0.00 -1.23 0.00 0.00 66.70 62.29 2kl5 h VAL 23 Cb 1.06 2.44 -0.28 0.00 -2.13 0.00 0.00 31.29 32.38 2kl5 h VAL 23 CO 1.24 0.55 -0.47 -2.28 -1.23 0.00 0.00 177.57 175.38 2kl5 s HIS 24 N -2.68 -0.31 -0.19 5.19 5.65 -1.20 -5.01 115.29 116.74 2kl5 s HIS 24 Ca -0.03 0.73 -0.05 0.00 0.25 0.00 0.00 55.06 55.97 2kl5 s HIS 24 Cb 0.08 0.06 0.07 0.00 -1.18 0.00 0.00 32.58 31.61 2kl5 s HIS 24 CO 0.82 -0.20 0.10 1.21 -0.65 0.00 0.00 174.74 176.02 2kl5 s ASN 25 N 0.85 2.50 -0.18 9.88 2.47 -1.26 -0.40 114.94 128.80 2kl5 s ASN 25 Ca -0.06 -0.71 -0.17 0.00 0.42 0.00 0.00 52.86 52.34 2kl5 s ASN 25 Cb -0.07 -0.24 -0.04 0.00 -1.45 0.00 0.00 41.25 39.45 2kl5 s ASN 25 CO -0.05 -0.36 0.44 0.12 -3.72 0.00 0.00 177.10 173.52 2kl5 s PHE 26 N 2.14 3.41 -2.01 0.43 5.36 0.31 -4.20 117.98 123.42 2kl5 s PHE 26 Ca 0.03 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2kl5 s PHE 26 Cb -0.16 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.97 2kl5 s PHE 26 CO -0.13 0.02 0.00 1.63 -1.46 0.00 0.00 175.22 175.28 2kl5 n LYS 27 N 4.32 -1.48 -3.52 10.12 4.76 -1.26 -1.64 118.16 129.46 2kl5 n LYS 27 Ca -0.07 1.14 -0.25 0.00 -2.87 0.00 0.00 58.31 56.25 2kl5 n LYS 27 Cb 0.51 -5.59 0.05 0.00 -1.84 0.00 0.00 35.03 28.16 2kl5 n LYS 27 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kl5 n ASP 28 N -1.48 -5.76 0.00 4.39 8.00 -1.26 -4.87 116.55 115.58 2kl5 n ASP 28 Ca -0.22 -0.53 0.14 0.00 0.71 0.00 0.00 54.79 54.89 2kl5 n ASP 28 Cb 0.67 -4.58 0.77 0.00 -0.02 0.00 0.00 41.12 37.96 2kl5 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kl5 n GLY 29 N -1.75 -0.96 3.55 0.44 0.00 -0.65 -4.71 105.19 101.11 2kl5 n GLY 29 Ca -0.01 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2kl5 n GLY 29 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kl5 s PHE 30 N -2.18 1.72 -0.40 1.61 5.36 -1.26 -4.76 117.98 118.07 2kl5 s PHE 30 Ca 0.36 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 56.99 2kl5 s PHE 30 Cb 0.19 -4.11 0.10 0.00 -0.34 0.00 0.00 43.02 38.86 2kl5 s PHE 30 CO 0.35 -2.18 0.19 -0.80 -1.46 0.00 0.00 175.22 171.32 2kl5 s ASN 31 N 7.89 5.28 0.24 6.13 -0.87 -1.26 -4.98 114.94 127.37 2kl5 s ASN 31 Ca 0.66 -1.83 -0.05 0.00 -1.57 0.00 0.00 52.86 50.08 2kl5 s ASN 31 Cb -0.11 -1.85 0.38 0.00 -0.02 0.00 0.00 41.25 39.66 2kl5 s ASN 31 CO 0.15 -0.51 1.81 -0.08 -2.57 0.00 0.00 177.10 175.90 2kl5 h GLU 32 N 8.12 0.74 -0.98 -0.60 4.81 -1.99 -1.71 114.58 122.97 2kl5 h GLU 32 Ca -0.16 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.17 2kl5 h GLU 32 Cb 1.06 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.17 2kl5 h GLU 32 CO 0.69 0.49 0.60 1.05 -0.73 0.00 0.00 179.01 181.11 2kl5 h GLU 33 N 0.77 0.83 -0.03 1.92 4.11 -1.99 0.14 114.58 120.33 2kl5 h GLU 33 Ca 0.39 -0.05 -0.24 0.00 0.07 0.00 0.00 59.36 59.53 2kl5 h GLU 33 Cb 0.36 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kl5 h GLU 33 CO -0.25 0.55 -0.90 0.00 0.07 0.00 0.00 179.01 178.49 2kl5 h ALA 34 N 1.58 0.15 0.67 1.06 0.00 -1.77 -2.97 119.26 117.98 2kl5 h ALA 34 Ca 0.52 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2kl5 h ALA 34 Cb 0.66 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kl5 h ALA 34 CO -0.32 0.61 -0.43 0.35 0.00 0.00 0.00 179.25 179.46 2kl5 h PHE 35 N 0.32 -1.15 0.00 0.00 3.57 -0.44 -1.02 116.94 118.21 2kl5 h PHE 35 Ca -0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2kl5 h PHE 35 Cb 1.56 0.42 0.00 0.00 2.79 0.00 0.00 35.95 40.71 2kl5 h PHE 35 CO 0.11 -0.64 0.00 1.57 -2.23 0.00 0.00 178.31 177.12 2kl5 h LYS 36 N -1.04 0.00 0.17 1.11 2.10 -0.91 0.12 116.57 118.12 2kl5 h LYS 36 Ca -0.08 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.32 2kl5 h LYS 36 Cb 0.85 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.20 2kl5 h LYS 36 CO 0.07 0.00 -1.14 0.00 -2.00 0.00 0.00 179.45 176.38 2kl5 h ALA 37 N 2.02 -0.06 -0.00 0.07 0.00 -1.34 -3.33 119.26 116.62 2kl5 h ALA 37 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2kl5 h ALA 37 Cb 0.40 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kl5 h ALA 37 CO 0.00 0.57 -0.29 0.54 0.00 0.00 0.00 179.25 180.06 2kl5 n ARG 38 N -3.96 0.58 -1.72 0.00 5.12 -0.41 -4.92 116.66 111.35 2kl5 n ARG 38 Ca -0.17 -0.32 -0.42 0.00 -1.93 0.00 0.00 57.85 55.01 2kl5 n ARG 38 Cb 0.92 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.72 2kl5 n ARG 38 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2kl5 n TYR 39 N -0.93 2.52 -4.16 -1.55 9.36 0.38 -4.85 117.16 117.93 2kl5 n TYR 39 Ca 0.11 0.49 -0.16 0.00 3.32 0.00 0.00 57.90 61.66 2kl5 n TYR 39 Cb 0.34 -2.47 -0.11 0.00 -0.63 0.00 0.00 39.34 36.47 2kl5 n TYR 39 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2kl5 s SER 40 N -0.15 1.47 0.25 2.98 0.01 -1.26 -5.04 113.70 111.97 2kl5 s SER 40 Ca 0.56 -0.70 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 2kl5 s SER 40 Cb -0.54 -0.01 0.35 0.00 0.21 0.00 0.00 66.02 66.03 2kl5 s SER 40 CO 0.61 -0.17 1.86 -2.24 0.41 0.00 0.00 173.24 173.70 2kl5 h ASP 41 N 3.99 0.89 -0.13 2.44 2.03 -2.03 -1.61 116.42 122.01 2kl5 h ASP 41 Ca -0.39 0.01 0.04 0.00 -0.73 0.00 0.00 57.03 55.97 2kl5 h ASP 41 Cb 1.19 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.51 2kl5 h ASP 41 CO 0.46 0.57 0.10 -0.29 -1.03 0.00 0.00 179.24 179.05 2kl5 h ILE 42 N 1.03 0.78 0.00 4.15 6.09 -2.01 -2.06 117.51 125.48 2kl5 h ILE 42 Ca 0.39 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.81 2kl5 h ILE 42 Cb 0.17 0.92 -0.01 0.00 0.47 0.00 0.00 36.82 38.37 2kl5 h ILE 42 CO -0.17 0.00 -0.33 -0.07 -3.07 0.00 0.00 178.15 174.51 2kl5 h LEU 43 N 0.00 0.00 -2.28 2.19 3.38 -1.71 -3.26 115.31 113.63 2kl5 h LEU 43 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2kl5 h LEU 43 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kl5 h LEU 43 CO -0.00 0.33 0.02 -1.13 0.09 0.00 0.00 178.44 177.75 2kl5 h ASN 44 N 0.00 0.00 1.93 -0.43 -0.73 -1.45 -2.53 115.58 112.37 2kl5 h ASN 44 Ca -0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2kl5 h ASN 44 Cb 0.94 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 2kl5 h ASN 44 CO 0.04 0.00 -0.04 0.07 -0.37 0.00 0.00 177.43 177.14 2kl5 h LYS 45 N 0.00 0.00 0.00 6.67 2.10 -1.76 -3.33 116.57 120.25 2kl5 h LYS 45 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 2kl5 h LYS 45 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2kl5 h LYS 45 CO -0.00 0.04 -0.35 1.88 -2.00 0.00 0.00 179.45 179.02 2kl5 h TYR 46 N 0.00 0.00 0.00 0.07 0.05 -1.68 -3.46 116.97 111.95 2kl5 h TYR 46 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kl5 h TYR 46 Cb 1.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2kl5 h TYR 46 CO 0.00 0.35 0.00 -0.25 -1.05 0.00 0.00 178.16 177.21 2kl5 n ASP 47 N -3.50 -0.14 -3.57 3.88 8.00 -1.25 -4.58 116.55 115.39 2kl5 n ASP 47 Ca -0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2kl5 n ASP 47 Cb 0.50 -1.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.09 2kl5 n ASP 47 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kl5 s TYR 48 N -2.34 -0.39 -0.23 1.24 2.02 -1.26 -1.53 117.35 114.86 2kl5 s TYR 48 Ca 0.00 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.36 2kl5 s TYR 48 Cb 0.00 -0.17 0.04 0.00 -0.40 0.00 0.00 41.96 41.43 2kl5 s TYR 48 CO 0.00 -0.48 -0.13 0.42 -1.57 0.00 0.00 175.55 173.79 2kl5 s ILE 49 N 2.39 2.34 -0.18 2.71 -1.09 -0.29 -2.18 121.20 124.90 2kl5 s ILE 49 Ca 0.05 -1.21 -0.02 0.00 -2.23 0.00 0.00 60.65 57.24 2kl5 s ILE 49 Cb -0.14 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 2kl5 s ILE 49 CO -0.10 0.24 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.07 2kl5 s VAL 50 N 1.23 3.24 -0.27 2.92 1.01 -0.95 -0.48 120.40 127.11 2kl5 s VAL 50 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2kl5 s VAL 50 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2kl5 s VAL 50 CO -0.08 0.48 0.16 -0.83 0.00 0.00 0.00 175.10 174.83 2kl5 s GLY 51 N 0.90 1.89 0.13 4.51 0.00 0.14 -0.55 107.32 114.33 2kl5 s GLY 51 Ca -0.02 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2kl5 s GLY 51 CO 0.00 0.61 -0.04 0.51 0.00 0.00 0.00 173.10 174.18 2kl5 s ASP 52 N 1.69 4.66 -0.57 1.64 -4.77 0.28 -0.88 116.67 118.72 2kl5 s ASP 52 Ca 0.07 -0.36 0.01 0.00 -3.30 0.00 0.00 52.55 48.96 2kl5 s ASP 52 Cb -0.16 -0.97 0.47 0.00 -1.09 0.00 0.00 42.92 41.17 2kl5 s ASP 52 CO 0.09 0.14 1.84 0.79 0.70 0.00 0.00 175.17 178.72 2kl5 n TRP 53 N 0.31 3.06 -1.69 2.11 7.02 -0.94 -0.50 117.44 126.81 2kl5 n TRP 53 Ca -0.11 -2.75 -0.44 0.00 -1.02 0.00 0.00 57.50 53.18 2kl5 n TRP 53 Cb 0.54 -1.16 -0.04 0.00 -2.42 0.00 0.00 31.31 28.22 2kl5 n TRP 53 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kl5 n GLY 54 N -0.90 1.40 3.44 6.99 0.00 -1.17 -0.74 105.19 114.21 2kl5 n GLY 54 Ca 0.58 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.26 2kl5 n GLY 54 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2kl5 n TYR 55 N 4.17 0.00 0.00 1.61 9.36 -1.26 -2.03 117.16 129.00 2kl5 n TYR 55 Ca 0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.39 2kl5 n TYR 55 Cb 0.33 -0.97 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 2kl5 n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2kl5 n GLY 56 N -1.75 0.42 3.66 2.98 0.00 0.08 -5.08 105.19 105.51 2kl5 n GLY 56 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kl5 n GLY 56 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kl5 s GLN 57 N -0.77 3.60 -0.22 1.61 -2.07 -0.86 -4.99 119.66 115.95 2kl5 s GLN 57 Ca 0.00 -0.35 -0.29 0.00 -1.82 0.00 0.00 55.36 52.90 2kl5 s GLN 57 Cb 0.00 -3.06 0.01 0.00 -1.09 0.00 0.00 33.01 28.87 2kl5 s GLN 57 CO 0.00 0.46 1.06 -1.17 -1.32 0.00 0.00 175.29 174.32 2kl5 s LEU 58 N -0.17 4.11 0.01 2.60 1.98 -1.26 -3.05 118.68 122.91 2kl5 s LEU 58 Ca 0.07 1.41 0.06 0.00 -2.89 0.00 0.00 54.13 52.78 2kl5 s LEU 58 Cb -0.12 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.17 2kl5 s LEU 58 CO 0.02 -0.67 -0.18 -0.60 -1.89 0.00 0.00 176.35 173.03 2kl5 s ARG 59 N 3.17 1.33 -0.38 1.98 3.52 0.35 -4.96 118.95 123.97 2kl5 s ARG 59 Ca 0.45 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 2kl5 s ARG 59 Cb -0.16 -1.35 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 2kl5 s ARG 59 CO 0.07 0.36 0.27 -0.51 -0.81 0.00 0.00 175.30 174.68 2kl5 s LEU 60 N -0.78 4.87 -0.17 -0.88 1.02 -1.26 -0.56 118.68 120.93 2kl5 s LEU 60 Ca 0.06 -0.72 -0.05 0.00 0.02 0.00 0.00 54.13 53.44 2kl5 s LEU 60 Cb -0.08 -2.15 -0.03 0.00 0.02 0.00 0.00 46.19 43.96 2kl5 s LEU 60 CO 0.00 -0.36 0.00 -0.75 0.02 0.00 0.00 176.35 175.26 2kl5 s LYS 61 N 1.69 3.79 -0.10 1.70 2.36 0.28 -4.95 119.74 124.51 2kl5 s LYS 61 Ca 0.05 -0.45 -0.24 0.00 -2.55 0.00 0.00 55.97 52.79 2kl5 s LYS 61 Cb -0.18 -3.04 -0.03 0.00 -1.05 0.00 0.00 37.83 33.53 2kl5 s LYS 61 CO 0.10 0.25 0.72 0.20 1.55 0.00 0.00 175.35 178.17 2kl5 s GLY 62 N 0.38 2.45 0.30 5.54 0.00 -1.26 -2.24 107.32 112.49 2kl5 s GLY 62 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 44.72 44.89 2kl5 s GLY 62 CO 0.02 1.31 -0.12 -1.36 0.00 0.00 0.00 173.10 172.95 2kl5 s PHE 63 N 1.22 2.41 0.42 1.90 0.08 -0.93 -5.03 117.98 118.05 2kl5 s PHE 63 Ca 0.37 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.13 2kl5 s PHE 63 Cb -0.17 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 2kl5 s PHE 63 CO 0.16 0.64 0.43 -0.06 -0.10 0.00 0.00 175.22 176.30 2kl5 s PHE 64 N -2.51 2.73 0.10 0.36 0.08 -1.26 -4.02 117.98 113.46 2kl5 s PHE 64 Ca 0.31 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 2kl5 s PHE 64 Cb -0.03 -2.23 -0.06 0.00 -0.57 0.00 0.00 43.02 40.13 2kl5 s PHE 64 CO 0.17 -0.21 1.14 0.16 -0.10 0.00 0.00 175.22 176.37 2kl5 s ASP 65 N -4.20 7.18 0.45 1.36 -4.77 -1.26 -4.90 116.67 110.53 2kl5 s ASP 65 Ca 0.50 2.01 0.06 0.00 -3.30 0.00 0.00 52.55 51.81 2kl5 s ASP 65 Cb -0.05 -2.59 -0.05 0.00 -1.09 0.00 0.00 42.92 39.14 2kl5 s ASP 65 CO 0.29 -0.35 0.08 -1.81 0.70 0.00 0.00 175.17 174.09 2kl5 s ASP 66 N 0.59 4.15 0.00 2.11 1.01 -1.26 -4.76 116.67 118.50 2kl5 s ASP 66 Ca 0.54 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.45 2kl5 s ASP 66 Cb -0.28 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.51 2kl5 s ASP 66 CO 0.31 -0.62 0.00 0.00 0.21 0.00 0.00 175.17 175.07 2kl5 n GLN 67 N -1.17 0.00 -1.92 8.23 6.02 -1.26 -4.83 117.38 122.44 2kl5 n GLN 67 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.55 2kl5 n GLN 67 Cb 0.66 -3.84 -0.04 0.00 1.02 0.00 0.00 30.24 28.04 2kl5 n GLN 67 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2kl5 n ASN 68 N 0.00 3.50 0.00 1.08 3.02 -1.26 -2.46 115.26 119.14 2kl5 n ASN 68 Ca 0.00 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 2kl5 n ASN 68 Cb 0.00 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 2kl5 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kl5 n GLN 69 N 7.71 0.00 -4.13 3.52 10.64 -1.26 -5.10 117.38 128.75 2kl5 n GLN 69 Ca 0.48 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.48 2kl5 n GLN 69 Cb 0.44 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.67 2kl5 n GLN 69 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2kl5 s LYS 70 N -0.94 0.49 -0.86 2.61 1.02 -1.03 -5.07 119.74 115.96 2kl5 s LYS 70 Ca 0.00 -0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.60 2kl5 s LYS 70 Cb 0.00 -0.50 -0.17 0.00 -0.52 0.00 0.00 37.83 36.64 2kl5 s LYS 70 CO 0.00 0.04 2.33 0.00 -0.92 0.00 0.00 175.35 176.80 2kl5 n ALA 71 N 3.32 0.33 -0.94 5.17 0.00 -1.26 -4.61 120.51 122.52 2kl5 n ALA 71 Ca -0.17 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.71 2kl5 n ALA 71 Cb 0.56 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.77 2kl5 n ALA 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kl5 n THR 72 N 8.71 0.00 -3.15 0.00 -1.04 -1.26 -5.09 114.28 112.45 2kl5 n THR 72 Ca 0.46 0.01 0.05 0.00 -2.04 0.00 0.00 64.05 62.53 2kl5 n THR 72 Cb 0.43 -0.75 -0.01 0.00 -1.82 0.00 0.00 70.33 68.18 2kl5 n THR 72 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2kl5 s PHE 73 N -0.06 -1.32 0.57 -1.42 5.36 -1.26 -5.04 117.98 114.80 2kl5 s PHE 73 Ca 0.00 1.01 0.25 0.00 -0.96 0.00 0.00 56.93 57.24 2kl5 s PHE 73 Cb 0.00 0.32 1.57 0.00 -0.34 0.00 0.00 43.02 44.57 2kl5 s PHE 73 CO 0.00 -0.75 2.14 1.05 -1.46 0.00 0.00 175.22 176.20 2kl5 h GLU 74 N 7.85 0.00 -0.14 10.12 9.09 -1.93 0.37 114.58 139.94 2kl5 h GLU 74 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.31 2kl5 h GLU 74 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2kl5 h GLU 74 CO 0.09 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.40 2kl5 n THR 75 N -4.07 0.18 -3.64 -1.06 -2.24 -1.26 -4.76 114.28 97.44 2kl5 n THR 75 Ca 0.00 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 2kl5 n THR 75 Cb 0.24 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 2kl5 n THR 75 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kl5 s LYS 76 N -1.82 2.84 -0.07 -0.78 2.47 0.12 -5.01 119.74 117.49 2kl5 s LYS 76 Ca 0.34 -1.06 -0.15 0.00 -1.56 0.00 0.00 55.97 53.54 2kl5 s LYS 76 Cb 0.19 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 2kl5 s LYS 76 CO 0.28 -0.66 0.39 0.42 0.16 0.00 0.00 175.35 175.94 2kl5 s ILE 77 N 1.53 5.14 -0.11 5.43 1.01 -1.26 -4.60 121.20 128.35 2kl5 s ILE 77 Ca 0.02 0.78 -0.23 0.00 0.00 0.00 0.00 60.65 61.22 2kl5 s ILE 77 Cb -0.19 -3.71 -0.20 0.00 0.01 0.00 0.00 42.46 38.37 2kl5 s ILE 77 CO 0.06 0.48 0.73 0.28 0.00 0.00 0.00 174.94 176.48 2kl5 h SER 78 N 5.62 -0.03 -0.10 3.58 0.02 -1.92 -3.23 113.55 117.50 2kl5 h SER 78 Ca -0.47 -0.69 0.03 0.00 -0.84 0.00 0.00 61.79 59.81 2kl5 h SER 78 Cb 1.20 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2kl5 h SER 78 CO 0.68 0.77 0.14 0.00 -1.14 0.00 0.00 176.83 177.28 2kl5 h THR 79 N -0.92 0.38 0.91 -2.27 1.03 -1.95 -2.24 112.91 107.85 2kl5 h THR 79 Ca -0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.35 2kl5 h THR 79 Cb 0.72 0.88 0.01 0.00 -1.07 0.00 0.00 68.15 68.69 2kl5 h THR 79 CO 0.01 0.00 -0.44 0.25 -0.01 0.00 0.00 175.52 175.33 2kl5 h LEU 80 N 0.00 -1.03 -1.58 0.00 5.85 -1.95 -0.28 115.31 116.32 2kl5 h LEU 80 Ca 0.05 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kl5 h LEU 80 Cb 0.32 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2kl5 h LEU 80 CO -0.00 -0.70 0.22 -0.78 -0.34 0.00 0.00 178.44 176.84 2kl5 h ASP 81 N -1.31 0.44 -0.56 1.25 3.58 -1.44 0.13 116.42 118.52 2kl5 h ASP 81 Ca -0.12 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 2kl5 h ASP 81 Cb 0.94 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2kl5 h ASP 81 CO 0.21 0.34 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.57 2kl5 h GLU 82 N 0.51 0.99 -0.30 0.28 4.39 -1.43 -2.45 114.58 116.57 2kl5 h GLU 82 Ca 0.14 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 2kl5 h GLU 82 Cb -0.01 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2kl5 h GLU 82 CO -0.03 0.99 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.88 2kl5 h TYR 83 N 0.87 0.60 -0.94 4.33 3.20 0.75 -3.15 116.97 122.63 2kl5 h TYR 83 Ca 0.16 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2kl5 h TYR 83 Cb 0.55 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 2kl5 h TYR 83 CO 0.04 0.70 0.62 0.82 -1.64 0.00 0.00 178.16 178.70 2kl5 h ILE 84 N 0.32 1.20 -0.01 1.81 1.08 -0.77 -1.65 117.51 119.50 2kl5 h ILE 84 Ca 0.08 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2kl5 h ILE 84 Cb 0.47 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.08 2kl5 h ILE 84 CO 0.02 0.23 0.01 0.22 -0.69 0.00 0.00 178.15 177.93 2kl5 h TYR 85 N 1.24 0.00 -0.32 1.37 3.20 -1.40 0.26 116.97 121.33 2kl5 h TYR 85 Ca 0.36 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 2kl5 h TYR 85 Cb -0.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2kl5 h TYR 85 CO -0.01 0.00 -0.25 0.93 -1.64 0.00 0.00 178.16 177.19 2kl5 h GLU 86 N 0.00 0.63 0.00 1.82 5.08 -1.31 -3.34 114.58 117.46 2kl5 h GLU 86 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2kl5 h GLU 86 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2kl5 h GLU 86 CO -0.00 0.83 -1.09 0.66 -1.00 0.00 0.00 179.01 178.40 2kl5 n TYR 87 N -4.11 0.00 -1.68 4.33 4.01 -0.89 -4.83 117.16 114.00 2kl5 n TYR 87 Ca -0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 2kl5 n TYR 87 Cb 0.43 -0.06 0.13 0.00 -0.31 0.00 0.00 39.34 39.53 2kl5 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kl5 h ASN 89 N 1.47 0.00 0.14 0.00 -1.24 -1.68 -0.45 115.58 113.81 2kl5 h ASN 89 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2kl5 h ASN 89 Cb 1.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2kl5 h ASN 89 CO 0.50 0.31 0.00 0.49 -1.29 0.00 0.00 177.43 177.44 2kl5 n PHE 90 N -4.01 0.00 -1.23 0.67 3.72 -1.26 -4.98 117.46 110.37 2kl5 n PHE 90 Ca -0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kl5 n PHE 90 Cb 0.37 -0.07 -0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2kl5 n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kl5 n GLY 91 N 0.92 -3.16 0.15 1.37 0.00 -0.18 -5.10 105.19 99.20 2kl5 n GLY 91 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2kl5 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl5 n ALA 93 N -1.16 0.00 -3.54 0.00 0.00 -1.26 -4.73 120.51 109.82 2kl5 n ALA 93 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2kl5 n ALA 93 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2kl5 n ALA 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kl5 s TYR 94 N -1.12 -0.28 0.02 0.00 -0.85 -1.18 -2.21 117.35 111.72 2kl5 s TYR 94 Ca 0.00 0.22 0.01 0.00 -0.52 0.00 0.00 57.07 56.78 2kl5 s TYR 94 Cb 0.00 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.85 2kl5 s TYR 94 CO 0.00 -0.42 -0.03 -0.59 -1.52 0.00 0.00 175.55 172.99 2kl5 s PHE 95 N -2.65 0.30 -0.17 -3.49 -0.71 -0.06 -0.53 117.98 110.68 2kl5 s PHE 95 Ca 0.05 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.59 2kl5 s PHE 95 Cb -0.01 -0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.62 2kl5 s PHE 95 CO -0.06 -0.11 -0.20 0.08 -1.34 0.00 0.00 175.22 173.59 2kl5 s VAL 96 N -1.00 2.01 -0.15 -2.49 1.01 0.46 -0.69 120.40 119.56 2kl5 s VAL 96 Ca -0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2kl5 s VAL 96 Cb -0.07 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2kl5 s VAL 96 CO -0.00 0.53 -0.04 -0.76 0.00 0.00 0.00 175.10 174.83 2kl5 s LEU 97 N 1.21 3.22 -0.17 3.92 1.02 0.37 -1.47 118.68 126.78 2kl5 s LEU 97 Ca 0.03 -0.13 -0.05 0.00 0.02 0.00 0.00 54.13 54.00 2kl5 s LEU 97 Cb -0.13 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 2kl5 s LEU 97 CO -0.11 0.18 -0.01 -0.75 0.02 0.00 0.00 176.35 175.69 2kl5 s LYS 98 N 0.29 3.72 0.00 1.70 2.20 0.03 -1.14 119.74 126.54 2kl5 s LYS 98 Ca -0.04 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 2kl5 s LYS 98 Cb -0.14 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2kl5 s LYS 98 CO 0.03 0.20 1.09 0.50 -0.36 0.00 0.00 175.35 176.80 2kl5 s ARG 99 N 0.50 4.47 0.53 4.03 3.52 -0.58 -0.18 118.95 131.24 2kl5 s ARG 99 Ca -0.02 1.57 -0.10 0.00 -0.13 0.00 0.00 55.73 57.05 2kl5 s ARG 99 Cb -0.14 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 2kl5 s ARG 99 CO 0.02 -0.20 0.91 0.42 -0.81 0.00 0.00 175.30 175.64 2kl5 s ILE 100 N 1.30 4.76 -1.89 4.11 -1.09 0.60 -4.96 121.20 124.04 2kl5 s ILE 100 Ca 0.54 0.66 0.31 0.00 -2.23 0.00 0.00 60.65 59.94 2kl5 s ILE 100 Cb -0.24 -3.83 0.82 0.00 -1.58 0.00 0.00 42.46 37.63 2kl5 s ILE 100 CO 0.26 -0.90 2.16 -2.11 -1.23 0.00 0.00 174.94 173.13 2kl5 n ARG 101 N -2.22 0.87 -4.12 2.79 1.85 -1.26 -4.77 116.66 109.80 2kl5 n ARG 101 Ca 0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.67 2kl5 n ARG 101 Cb 0.54 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.40 2kl5 n ARG 101 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2kl5 s LYS 102 N -2.11 2.69 -0.33 2.89 -2.85 -1.26 -5.11 119.74 113.66 2kl5 s LYS 102 Ca 0.43 -1.22 -0.01 0.00 -1.00 0.00 0.00 55.97 54.17 2kl5 s LYS 102 Cb 0.21 -2.41 0.12 0.00 -2.06 0.00 0.00 37.83 33.68 2kl5 s LYS 102 CO 0.38 0.32 0.16 -1.17 0.10 0.00 0.00 175.35 175.14 2kl5 s LEU 103 N -3.82 1.37 -0.14 2.77 1.98 -1.26 -4.59 118.68 114.98 2kl5 s LEU 103 Ca 0.34 -1.79 -0.29 0.00 -2.89 0.00 0.00 54.13 49.50 2kl5 s LEU 103 Cb -0.07 -0.58 -0.04 0.00 0.66 0.00 0.00 46.19 46.16 2kl5 s LEU 103 CO 0.24 -0.38 1.63 -0.70 -1.89 0.00 0.00 176.35 175.25 2kl5 s GLU 104 N 1.48 3.98 0.80 1.98 2.12 -1.26 -4.94 118.70 122.86 2kl5 s GLU 104 Ca 0.13 1.91 -0.13 0.00 0.36 0.00 0.00 54.97 57.24 2kl5 s GLU 104 Cb -0.19 -4.01 0.08 0.00 0.26 0.00 0.00 34.13 30.27 2kl5 s GLU 104 CO -0.19 -1.08 1.18 -1.01 -0.54 0.00 0.00 175.26 173.62 2kl5 s HIS 105 N 4.66 1.92 -0.00 5.30 3.76 -1.26 -4.85 115.29 124.82 2kl5 s HIS 105 Ca 0.72 1.67 -0.36 0.00 -0.15 0.00 0.00 55.06 56.94 2kl5 s HIS 105 Cb -0.29 -3.40 -0.14 0.00 1.11 0.00 0.00 32.58 29.86 2kl5 s HIS 105 CO 0.29 -2.64 1.62 0.72 -0.85 0.00 0.00 174.74 173.87 2kl5 n HIS 106 N -3.36 2.04 -1.56 1.40 8.25 -1.26 -4.82 115.22 115.90 2kl5 n HIS 106 Ca 0.13 0.35 -0.42 0.00 -0.26 0.00 0.00 57.72 57.52 2kl5 n HIS 106 Cb 0.51 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.09 2kl5 n HIS 106 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kl5 n HIS 107 N 4.30 2.82 -2.06 4.41 -0.00 -1.26 -4.93 115.22 118.50 2kl5 n HIS 107 Ca 0.20 -2.33 -0.42 0.00 0.46 0.00 0.00 57.72 55.63 2kl5 n HIS 107 Cb 0.23 -2.19 -0.03 0.00 -0.12 0.00 0.00 29.99 27.89 2kl5 n HIS 107 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kl5 s HIS 108 N 4.68 2.39 -0.20 1.57 5.65 -1.26 -4.99 115.29 123.12 2kl5 s HIS 108 Ca 0.54 0.44 -0.08 0.00 0.25 0.00 0.00 55.06 56.20 2kl5 s HIS 108 Cb 0.12 -3.84 0.08 0.00 -1.18 0.00 0.00 32.58 27.76 2kl5 s HIS 108 CO 0.03 -3.38 0.46 -1.58 -0.65 0.00 0.00 174.74 169.62 2kl5 s HIS 109 N 3.14 -0.81 -2.86 3.88 5.04 -1.26 -5.15 115.29 117.27 2kl5 s HIS 109 Ca 0.70 1.57 0.25 0.00 -1.54 0.00 0.00 55.06 56.04 2kl5 s HIS 109 Cb -0.34 0.36 0.43 0.00 0.04 0.00 0.00 32.58 33.07 2kl5 s HIS 109 CO 0.29 -0.46 1.40 1.58 -2.34 0.00 0.00 174.74 175.20