#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 5.22 -0.37 1.12 1.09 -1.26 -4.80 121.20 122.20 2kl5 s ILE 2 Ca 0.00 -1.82 0.09 0.00 -1.10 0.00 0.00 60.65 57.82 2kl5 s ILE 2 Cb 0.00 -4.50 -0.10 0.00 -1.06 0.00 0.00 42.46 36.80 2kl5 s ILE 2 CO 0.00 -1.10 0.35 0.61 -0.10 0.00 0.00 174.94 174.70 2kl5 n GLY 3 N 4.75 0.14 3.54 6.18 0.00 -1.26 -4.98 105.19 113.56 2kl5 n GLY 3 Ca 0.05 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2kl5 n GLY 3 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2kl5 n MET 4 N -1.25 0.99 -3.49 1.61 0.00 -1.26 -4.91 117.12 108.81 2kl5 n MET 4 Ca 0.01 0.08 -0.42 0.00 0.00 0.00 0.00 57.70 57.37 2kl5 n MET 4 Cb 0.14 -3.06 -0.09 0.00 0.00 0.00 0.00 33.22 30.21 2kl5 n MET 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2kl5 s SER 5 N 10.94 5.96 0.00 6.12 0.01 -1.26 -5.04 113.70 130.43 2kl5 s SER 5 Ca 1.05 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2kl5 s SER 5 Cb -0.41 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2kl5 s SER 5 CO 0.32 -0.52 0.00 -1.84 0.41 0.00 0.00 173.24 171.62 2kl5 n GLU 6 N 5.10 3.41 0.00 12.44 0.28 -1.26 -4.89 120.64 135.72 2kl5 n GLU 6 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 2kl5 n GLU 6 Cb 0.45 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.32 2kl5 n GLU 6 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2kl5 n LYS 7 N 0.00 0.00 -1.95 3.44 3.00 -1.26 -4.87 118.16 116.52 2kl5 n LYS 7 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2kl5 n LYS 7 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2kl5 n LYS 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kl5 s ARG 8 N 0.00 2.33 -0.30 1.64 0.52 -1.26 -4.74 118.95 117.14 2kl5 s ARG 8 Ca 0.00 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 2kl5 s ARG 8 Cb 0.00 -5.03 0.19 0.00 0.52 0.00 0.00 34.95 30.63 2kl5 s ARG 8 CO 0.00 -3.72 1.29 0.20 0.02 0.00 0.00 175.30 173.10 2kl5 s GLY 9 N 8.37 0.21 0.11 -3.53 0.00 -1.26 -5.09 107.32 106.12 2kl5 s GLY 9 Ca 0.74 3.55 0.00 0.00 0.00 0.00 0.00 44.72 49.01 2kl5 s GLY 9 CO 0.03 3.60 0.00 -2.21 0.00 0.00 0.00 173.10 174.52 2kl5 n GLU 10 N 4.84 0.00 -3.60 2.90 4.07 -1.26 -4.99 120.64 122.59 2kl5 n GLU 10 Ca -0.07 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.73 2kl5 n GLU 10 Cb 0.56 -0.27 -0.13 0.00 -0.06 0.00 0.00 31.44 31.54 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 -1.72 0.85 -0.07 6.31 1.01 -1.26 -5.09 121.20 121.23 2kl5 s ILE 11 Ca 0.00 -2.19 -0.16 0.00 0.00 0.00 0.00 60.65 58.30 2kl5 s ILE 11 Cb 0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 2kl5 s ILE 11 CO 0.00 -0.94 0.42 0.00 0.00 0.00 0.00 174.94 174.42 2kl5 s MET 12 N 0.66 4.14 -0.40 2.79 0.23 -1.26 -1.16 119.30 124.29 2kl5 s MET 12 Ca 0.18 0.37 -0.02 0.00 -1.03 0.00 0.00 55.69 55.19 2kl5 s MET 12 Cb -0.23 -3.34 0.11 0.00 -1.53 0.00 0.00 34.83 29.84 2kl5 s MET 12 CO 0.00 0.40 0.19 0.42 -2.03 0.00 0.00 175.02 174.01 2kl5 s ILE 13 N -0.15 3.19 -0.36 3.16 -1.09 0.86 -4.93 121.20 121.88 2kl5 s ILE 13 Ca 0.23 -2.10 -0.18 0.00 -2.23 0.00 0.00 60.65 56.38 2kl5 s ILE 13 Cb -0.15 -3.20 -0.00 0.00 -1.58 0.00 0.00 42.46 37.53 2kl5 s ILE 13 CO 0.10 -0.69 0.48 -0.76 -1.23 0.00 0.00 174.94 172.85 2kl5 s LEU 14 N 1.10 4.43 -0.14 2.97 1.02 -1.26 -0.34 118.68 126.47 2kl5 s LEU 14 Ca 0.09 -0.16 -0.11 0.00 0.02 0.00 0.00 54.13 53.96 2kl5 s LEU 14 Cb -0.22 -2.52 0.04 0.00 0.02 0.00 0.00 46.19 43.51 2kl5 s LEU 14 CO -0.05 -0.48 0.36 -0.51 0.02 0.00 0.00 176.35 175.70 2kl5 s ILE 15 N 2.31 -0.01 -1.31 -0.59 2.07 0.35 -4.94 121.20 119.08 2kl5 s ILE 15 Ca 0.17 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.41 2kl5 s ILE 15 Cb -0.16 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 41.93 2kl5 s ILE 15 CO 0.13 0.01 0.90 0.00 -1.91 0.00 0.00 174.94 174.07 2kl5 n GLN 16 N 3.28 -5.93 -1.05 3.50 1.13 -1.26 -1.26 117.38 115.80 2kl5 n GLN 16 Ca -0.16 0.71 -0.02 0.00 -1.94 0.00 0.00 57.00 55.60 2kl5 n GLN 16 Cb 0.57 -5.53 -0.01 0.00 0.11 0.00 0.00 30.24 25.38 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 -3.04 -4.65 -4.42 1.08 4.13 -1.26 -4.98 115.26 102.12 2kl5 n ASN 17 Ca -0.21 0.04 -0.29 0.00 1.68 0.00 0.00 54.58 55.80 2kl5 n ASN 17 Cb 0.64 -2.29 -0.13 0.00 -1.54 0.00 0.00 39.78 36.46 2kl5 n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kl5 s ALA 18 N -1.58 2.49 -0.25 5.41 0.00 -0.39 -4.94 121.76 122.50 2kl5 s ALA 18 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2kl5 s ALA 18 Cb 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.65 2kl5 s ALA 18 CO 0.00 0.56 -0.09 -2.00 0.00 0.00 0.00 175.76 174.23 2kl5 s GLU 19 N -1.95 2.59 0.44 0.00 2.12 -1.26 -0.50 118.70 120.15 2kl5 s GLU 19 Ca 0.15 -1.13 0.07 0.00 0.36 0.00 0.00 54.97 54.42 2kl5 s GLU 19 Cb -0.10 -2.91 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 2kl5 s GLU 19 CO 0.07 -0.46 0.28 -0.06 -0.54 0.00 0.00 175.26 174.54 2kl5 s PHE 20 N 1.23 2.42 0.01 5.30 0.40 0.54 0.38 117.98 128.26 2kl5 s PHE 20 Ca -0.03 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 2kl5 s PHE 20 Cb -0.18 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 2kl5 s PHE 20 CO -0.06 -0.04 0.04 -1.83 0.70 0.00 0.00 175.22 174.04 2kl5 s GLU 21 N -4.05 0.34 -0.64 0.44 -1.05 0.73 -0.09 118.70 114.38 2kl5 s GLU 21 Ca 0.41 -0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 54.51 2kl5 s GLU 21 Cb 0.01 0.13 0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2kl5 s GLU 21 CO 0.23 -0.07 1.28 -1.17 0.95 0.00 0.00 175.26 176.48 2kl5 s LEU 22 N -1.22 3.32 0.03 1.83 2.96 -0.31 -1.85 118.68 123.45 2kl5 s LEU 22 Ca -0.13 -0.09 0.23 0.00 -0.22 0.00 0.00 54.13 53.91 2kl5 s LEU 22 Cb -0.08 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.76 2kl5 s LEU 22 CO 0.00 -1.68 1.02 1.33 -1.32 0.00 0.00 176.35 175.69 2kl5 n VAL 23 N 6.59 0.11 -3.65 1.68 0.24 -0.63 -4.83 118.33 117.85 2kl5 n VAL 23 Ca 0.07 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2kl5 n VAL 23 Cb 0.49 0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 33.13 2kl5 n VAL 23 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2kl5 s HIS 24 N -3.16 -0.92 0.01 6.34 5.65 -1.09 -4.97 115.29 117.15 2kl5 s HIS 24 Ca 0.05 1.94 -0.04 0.00 0.25 0.00 0.00 55.06 57.26 2kl5 s HIS 24 Cb 0.15 0.48 -0.01 0.00 -1.18 0.00 0.00 32.58 32.02 2kl5 s HIS 24 CO 0.81 -0.45 0.06 1.21 -0.65 0.00 0.00 174.74 175.71 2kl5 s ASN 25 N 1.21 0.10 -0.18 9.88 2.47 -1.26 -0.77 114.94 126.40 2kl5 s ASN 25 Ca -0.07 -0.29 -0.08 0.00 0.42 0.00 0.00 52.86 52.85 2kl5 s ASN 25 Cb -0.05 0.15 0.07 0.00 -1.45 0.00 0.00 41.25 39.97 2kl5 s ASN 25 CO -0.13 -0.29 0.40 0.12 -3.72 0.00 0.00 177.10 173.47 2kl5 s PHE 26 N -1.23 -0.66 -1.49 0.43 5.36 -0.72 -4.88 117.98 114.79 2kl5 s PHE 26 Ca -0.13 1.35 -0.05 0.00 -0.96 0.00 0.00 56.93 57.14 2kl5 s PHE 26 Cb -0.08 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.87 2kl5 s PHE 26 CO 0.00 -0.40 0.49 1.63 -1.46 0.00 0.00 175.22 175.48 2kl5 n LYS 27 N 4.85 -4.13 -2.67 10.12 4.01 -1.26 -1.31 118.16 127.78 2kl5 n LYS 27 Ca -0.15 0.80 -0.18 0.00 -0.51 0.00 0.00 58.31 58.27 2kl5 n LYS 27 Cb 0.52 -5.60 -0.00 0.00 -0.51 0.00 0.00 35.03 29.44 2kl5 n LYS 27 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2kl5 n ASP 28 N -2.39 -4.69 0.19 4.39 8.00 -1.26 -4.63 116.55 116.16 2kl5 n ASP 28 Ca -0.11 -0.02 0.14 0.00 0.71 0.00 0.00 54.79 55.51 2kl5 n ASP 28 Cb 0.61 -3.91 0.73 0.00 -0.02 0.00 0.00 41.12 38.53 2kl5 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2kl5 h GLY 29 N -0.37 0.00 -7.28 0.44 0.00 -1.37 -3.39 103.07 91.10 2kl5 h GLY 29 Ca -0.40 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.41 2kl5 h GLY 29 CO 0.47 0.00 1.43 -0.12 0.00 0.00 0.00 176.54 178.31 2kl5 s PHE 30 N -4.90 1.48 -0.33 5.60 5.36 -1.26 -4.66 117.98 119.27 2kl5 s PHE 30 Ca -0.05 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 2kl5 s PHE 30 Cb 0.17 -3.94 0.10 0.00 -0.34 0.00 0.00 43.02 39.01 2kl5 s PHE 30 CO 0.64 -2.78 0.10 1.21 -1.46 0.00 0.00 175.22 172.92 2kl5 s ASN 31 N 8.66 4.26 0.26 6.13 2.47 -1.26 -5.02 114.94 130.43 2kl5 s ASN 31 Ca 0.83 -1.92 -0.02 0.00 0.42 0.00 0.00 52.86 52.17 2kl5 s ASN 31 Cb -0.19 -1.15 0.53 0.00 -1.45 0.00 0.00 41.25 38.99 2kl5 s ASN 31 CO 0.28 -0.39 1.73 -0.08 -3.72 0.00 0.00 177.10 174.92 2kl5 h GLU 32 N 7.79 0.47 -0.59 0.43 4.81 -1.97 0.33 114.58 125.85 2kl5 h GLU 32 Ca -0.09 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2kl5 h GLU 32 Cb 1.01 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 2kl5 h GLU 32 CO 0.49 0.31 0.31 1.05 -0.73 0.00 0.00 179.01 180.45 2kl5 h GLU 33 N 0.48 0.58 -0.28 1.92 4.11 -1.99 0.56 114.58 119.96 2kl5 h GLU 33 Ca 0.45 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.71 2kl5 h GLU 33 Cb 0.72 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2kl5 h GLU 33 CO -0.42 0.38 -0.40 0.00 0.07 0.00 0.00 179.01 178.64 2kl5 h ALA 34 N 1.31 0.78 0.76 1.06 0.00 -1.48 -1.59 119.26 120.09 2kl5 h ALA 34 Ca 0.26 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2kl5 h ALA 34 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kl5 h ALA 34 CO -0.17 0.65 -0.42 0.35 0.00 0.00 0.00 179.25 179.67 2kl5 h PHE 35 N 0.54 -1.10 0.00 0.00 3.57 -0.12 -1.35 116.94 118.49 2kl5 h PHE 35 Ca 0.05 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2kl5 h PHE 35 Cb 0.92 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2kl5 h PHE 35 CO 0.04 -0.64 -0.16 1.57 -2.23 0.00 0.00 178.31 176.89 2kl5 h LYS 36 N -1.08 0.00 0.00 1.11 2.10 -0.96 0.38 116.57 118.12 2kl5 h LYS 36 Ca -0.10 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.44 2kl5 h LYS 36 Cb 0.85 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.16 2kl5 h LYS 36 CO 0.14 0.16 -0.51 0.00 -2.00 0.00 0.00 179.45 177.24 2kl5 h ALA 37 N 1.84 1.01 -0.02 0.07 0.00 -1.15 -3.16 119.26 117.85 2kl5 h ALA 37 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kl5 h ALA 37 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kl5 h ALA 37 CO 0.02 0.64 -0.06 0.54 0.00 0.00 0.00 179.25 180.40 2kl5 n ARG 38 N -3.73 1.15 -2.43 0.00 5.12 -0.52 -4.98 116.66 111.28 2kl5 n ARG 38 Ca -0.01 -1.22 -0.41 0.00 -1.93 0.00 0.00 57.85 54.29 2kl5 n ARG 38 Cb 0.56 -1.25 -0.04 0.00 -1.16 0.00 0.00 32.46 30.57 2kl5 n ARG 38 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2kl5 s TYR 39 N -1.28 3.50 0.06 -1.55 5.04 0.12 -4.67 117.35 118.58 2kl5 s TYR 39 Ca 0.15 1.57 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 2kl5 s TYR 39 Cb 0.12 -3.35 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 2kl5 s TYR 39 CO 0.21 -0.85 0.03 0.45 -1.34 0.00 0.00 175.55 174.05 2kl5 s SER 40 N -0.33 0.38 0.46 4.32 0.15 -1.26 -4.98 113.70 112.43 2kl5 s SER 40 Ca 0.49 -0.91 0.15 0.00 0.70 0.00 0.00 55.95 56.39 2kl5 s SER 40 Cb -0.32 0.24 1.05 0.00 -1.71 0.00 0.00 66.02 65.28 2kl5 s SER 40 CO 0.39 -0.64 2.01 0.44 1.20 0.00 0.00 173.24 176.64 2kl5 h ASP 41 N 3.03 0.00 -0.05 5.45 5.19 -2.00 -0.82 116.42 127.22 2kl5 h ASP 41 Ca -0.34 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.08 2kl5 h ASP 41 Cb 1.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 2kl5 h ASP 41 CO 0.63 0.17 0.04 -0.29 -3.12 0.00 0.00 179.24 176.66 2kl5 h ILE 42 N 0.00 0.83 0.00 0.35 6.09 -2.01 -1.03 117.51 121.74 2kl5 h ILE 42 Ca -0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 2kl5 h ILE 42 Cb 0.30 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 38.56 2kl5 h ILE 42 CO 0.02 0.00 -0.77 -0.07 -3.07 0.00 0.00 178.15 174.26 2kl5 h LEU 43 N 0.00 0.00 -2.14 2.19 3.38 -1.55 -3.33 115.31 113.86 2kl5 h LEU 43 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kl5 h LEU 43 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kl5 h LEU 43 CO -0.00 0.11 -0.03 -1.13 0.09 0.00 0.00 178.44 177.47 2kl5 h ASN 44 N 0.00 0.00 0.99 -0.43 -0.73 -1.01 -1.95 115.58 112.45 2kl5 h ASN 44 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 2kl5 h ASN 44 Cb 1.10 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.69 2kl5 h ASN 44 CO 0.01 0.03 0.00 0.50 -0.37 0.00 0.00 177.43 177.60 2kl5 h LYS 45 N 0.00 0.00 0.08 6.67 3.64 -1.67 -3.24 116.57 122.06 2kl5 h LYS 45 Ca -0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 2kl5 h LYS 45 Cb 0.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2kl5 h LYS 45 CO 0.00 0.00 -1.65 1.88 -2.27 0.00 0.00 179.45 177.41 2kl5 h TYR 46 N 0.00 0.33 0.00 1.91 0.05 -1.60 -3.48 116.97 114.18 2kl5 h TYR 46 Ca 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2kl5 h TYR 46 Cb 0.50 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2kl5 h TYR 46 CO 0.00 1.36 0.00 -0.25 -1.05 0.00 0.00 178.16 178.22 2kl5 n ASP 47 N -3.35 -0.13 -3.75 3.88 9.92 -1.23 -4.36 116.55 117.53 2kl5 n ASP 47 Ca -0.19 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 53.86 2kl5 n ASP 47 Cb 1.04 -0.91 -0.17 0.00 -0.64 0.00 0.00 41.12 40.44 2kl5 n ASP 47 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2kl5 s TYR 48 N -2.90 0.40 -0.18 1.24 1.51 -1.22 -1.38 117.35 114.83 2kl5 s TYR 48 Ca 0.00 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2kl5 s TYR 48 Cb 0.00 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.26 2kl5 s TYR 48 CO 0.00 -0.24 -0.19 0.42 -1.11 0.00 0.00 175.55 174.43 2kl5 s ILE 49 N 1.81 1.99 -0.07 2.71 -1.09 -0.70 -1.76 121.20 124.09 2kl5 s ILE 49 Ca 0.02 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.54 2kl5 s ILE 49 Cb -0.12 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 2kl5 s ILE 49 CO -0.04 0.51 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.36 2kl5 s VAL 50 N 1.31 3.12 -0.10 2.92 1.01 -0.30 -0.45 120.40 127.91 2kl5 s VAL 50 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2kl5 s VAL 50 Cb -0.13 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2kl5 s VAL 50 CO -0.12 0.57 -0.11 -0.83 0.00 0.00 0.00 175.10 174.61 2kl5 s GLY 51 N -0.43 0.88 0.14 4.51 0.00 -0.48 0.29 107.32 112.23 2kl5 s GLY 51 Ca 0.05 -0.57 0.10 0.00 0.00 0.00 0.00 44.72 44.30 2kl5 s GLY 51 CO 0.02 0.48 -0.20 0.51 0.00 0.00 0.00 173.10 173.92 2kl5 s ASP 52 N 1.26 3.75 -0.38 1.64 1.47 -1.10 -1.07 116.67 122.24 2kl5 s ASP 52 Ca -0.03 -0.65 0.06 0.00 1.18 0.00 0.00 52.55 53.11 2kl5 s ASP 52 Cb -0.14 -0.46 0.54 0.00 -0.34 0.00 0.00 42.92 42.53 2kl5 s ASP 52 CO -0.04 0.16 1.64 0.79 0.68 0.00 0.00 175.17 178.40 2kl5 n TRP 53 N 0.65 2.04 0.04 2.11 7.02 -0.93 -2.90 117.44 125.46 2kl5 n TRP 53 Ca -0.15 -1.91 -0.13 0.00 -1.02 0.00 0.00 57.50 54.29 2kl5 n TRP 53 Cb 0.54 -0.72 -0.07 0.00 -2.42 0.00 0.00 31.31 28.64 2kl5 n TRP 53 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 2kl5 h GLY 54 N 1.22 -0.76 -2.71 6.99 0.00 -1.81 0.08 103.07 106.09 2kl5 h GLY 54 Ca 0.40 0.51 -0.03 0.00 0.00 0.00 0.00 47.33 48.21 2kl5 h GLY 54 CO 0.77 -0.24 0.04 -1.72 0.00 0.00 0.00 176.54 175.39 2kl5 n TYR 55 N -5.44 1.40 -1.15 5.60 4.01 -1.26 -4.82 117.16 115.49 2kl5 n TYR 55 Ca -0.05 -0.55 -0.05 0.00 -0.16 0.00 0.00 57.90 57.08 2kl5 n TYR 55 Cb 0.37 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 2kl5 n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kl5 n GLY 56 N 0.30 0.74 2.96 2.72 0.00 0.01 -4.99 105.19 106.94 2kl5 n GLY 56 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2kl5 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kl5 s GLN 57 N -1.96 1.85 -0.39 1.61 -1.52 -1.26 -5.04 119.66 112.95 2kl5 s GLN 57 Ca 0.00 -0.77 -0.28 0.00 -1.95 0.00 0.00 55.36 52.36 2kl5 s GLN 57 Cb 0.00 -2.32 -0.00 0.00 -0.22 0.00 0.00 33.01 30.46 2kl5 s GLN 57 CO 0.00 -0.44 1.61 -1.17 -0.25 0.00 0.00 175.29 175.04 2kl5 s LEU 58 N 1.46 3.52 -0.04 2.90 1.98 -1.26 -4.48 118.68 122.77 2kl5 s LEU 58 Ca -0.01 1.00 0.07 0.00 -2.89 0.00 0.00 54.13 52.29 2kl5 s LEU 58 Cb -0.16 -3.46 -0.02 0.00 0.66 0.00 0.00 46.19 43.22 2kl5 s LEU 58 CO -0.08 -1.62 -0.24 -0.60 -1.89 0.00 0.00 176.35 171.92 2kl5 s ARG 59 N 5.40 2.35 -0.39 1.98 3.52 -1.14 -4.94 118.95 125.73 2kl5 s ARG 59 Ca 0.70 -0.88 -0.15 0.00 -0.13 0.00 0.00 55.73 55.26 2kl5 s ARG 59 Cb -0.18 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2kl5 s ARG 59 CO 0.32 0.50 0.34 -0.51 -0.81 0.00 0.00 175.30 175.14 2kl5 s LEU 60 N -0.45 4.79 -0.20 -0.88 1.43 -1.26 -2.70 118.68 119.42 2kl5 s LEU 60 Ca 0.05 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 2kl5 s LEU 60 Cb -0.12 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2kl5 s LEU 60 CO 0.01 -0.42 0.07 -0.75 0.23 0.00 0.00 176.35 175.48 2kl5 s LYS 61 N 1.89 3.92 0.12 1.70 2.36 0.14 -4.90 119.74 124.98 2kl5 s LYS 61 Ca 0.09 -0.37 -0.09 0.00 -2.55 0.00 0.00 55.97 53.05 2kl5 s LYS 61 Cb -0.18 -3.24 -0.06 0.00 -1.05 0.00 0.00 37.83 33.30 2kl5 s LYS 61 CO 0.11 0.19 0.42 0.20 1.55 0.00 0.00 175.35 177.82 2kl5 s GLY 62 N 0.61 2.31 0.17 5.54 0.00 -1.26 -1.16 107.32 113.53 2kl5 s GLY 62 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.37 2kl5 s GLY 62 CO 0.01 -0.23 -0.01 -1.36 0.00 0.00 0.00 173.10 171.51 2kl5 s PHE 63 N -1.53 1.19 0.23 1.90 0.08 -0.72 -4.99 117.98 114.14 2kl5 s PHE 63 Ca 0.38 -0.99 0.06 0.00 0.12 0.00 0.00 56.93 56.50 2kl5 s PHE 63 Cb -0.13 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 2kl5 s PHE 63 CO 0.20 -0.18 0.23 -0.06 -0.10 0.00 0.00 175.22 175.31 2kl5 s PHE 64 N -3.63 3.21 0.06 0.36 0.08 -1.26 -3.39 117.98 113.42 2kl5 s PHE 64 Ca 0.22 -0.07 -0.32 0.00 0.12 0.00 0.00 56.93 56.89 2kl5 s PHE 64 Cb 0.06 -1.47 -0.11 0.00 -0.57 0.00 0.00 43.02 40.93 2kl5 s PHE 64 CO 0.03 0.50 1.83 -0.40 -0.10 0.00 0.00 175.22 177.08 2kl5 n ASP 65 N -1.09 3.75 0.00 1.36 5.75 -1.26 -4.91 116.55 120.16 2kl5 n ASP 65 Ca -0.08 0.99 0.00 0.00 -0.01 0.00 0.00 54.79 55.69 2kl5 n ASP 65 Cb 0.57 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 2kl5 n ASP 65 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kl5 n ASP 66 N 5.80 0.00 -3.88 -1.12 2.03 -1.26 -4.77 116.55 113.35 2kl5 n ASP 66 Ca 0.19 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.08 2kl5 n ASP 66 Cb 0.34 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2kl5 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kl5 n GLN 67 N -1.44 3.22 0.00 -0.67 1.13 0.05 -4.61 117.38 115.05 2kl5 n GLN 67 Ca 0.00 -3.09 0.14 0.00 -1.94 0.00 0.00 57.00 52.11 2kl5 n GLN 67 Cb 0.00 -3.14 0.56 0.00 0.11 0.00 0.00 30.24 27.77 2kl5 n GLN 67 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2kl5 n ASN 68 N 5.33 0.19 -4.72 1.08 0.23 -1.26 -3.65 115.26 112.45 2kl5 n ASN 68 Ca 0.46 0.05 -0.41 0.00 -0.53 0.00 0.00 54.58 54.14 2kl5 n ASN 68 Cb 0.39 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 37.81 2kl5 n ASN 68 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2kl5 s GLN 69 N -2.84 4.59 -0.85 -3.83 2.00 -1.26 -4.93 119.66 112.54 2kl5 s GLN 69 Ca 0.18 1.59 -0.25 0.00 -2.00 0.00 0.00 55.36 54.88 2kl5 s GLN 69 Cb 0.19 -3.36 -0.09 0.00 0.80 0.00 0.00 33.01 30.55 2kl5 s GLN 69 CO 0.54 0.02 2.17 0.21 -0.50 0.00 0.00 175.29 177.73 2kl5 s LYS 70 N 0.32 2.10 -0.67 1.67 2.47 -1.26 -4.69 119.74 119.67 2kl5 s LYS 70 Ca 0.51 0.08 0.05 0.00 -1.56 0.00 0.00 55.97 55.05 2kl5 s LYS 70 Cb -0.26 -4.93 0.17 0.00 -1.46 0.00 0.00 37.83 31.36 2kl5 s LYS 70 CO 0.31 -3.89 0.48 0.00 0.16 0.00 0.00 175.35 172.41 2kl5 n ALA 71 N 16.22 3.37 0.00 3.13 0.00 -1.26 -4.86 120.51 137.11 2kl5 n ALA 71 Ca 0.43 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.52 2kl5 n ALA 71 Cb 0.45 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 2.03 0.00 -3.99 0.00 -1.04 -1.26 -4.85 114.28 105.18 2kl5 n THR 72 Ca 0.22 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.00 2kl5 n THR 72 Cb 0.37 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.82 2kl5 n THR 72 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kl5 s PHE 73 N 0.00 2.70 0.00 -1.42 0.08 -1.26 -5.04 117.98 113.04 2kl5 s PHE 73 Ca 0.00 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.61 2kl5 s PHE 73 Cb 0.00 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 2kl5 s PHE 73 CO 0.00 0.21 0.17 -0.85 -0.10 0.00 0.00 175.22 174.64 2kl5 n GLU 74 N -1.26 1.57 -0.66 0.44 0.28 -1.26 -4.15 120.64 115.60 2kl5 n GLU 74 Ca -0.01 -0.17 0.06 0.00 -0.16 0.00 0.00 57.16 56.88 2kl5 n GLU 74 Cb 0.62 -0.58 0.11 0.00 1.43 0.00 0.00 31.44 33.02 2kl5 n GLU 74 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2kl5 n THR 75 N -0.27 1.23 -2.61 3.84 -2.24 -1.26 -4.66 114.28 108.31 2kl5 n THR 75 Ca 0.00 -1.92 -0.42 0.00 -2.27 0.00 0.00 64.05 59.44 2kl5 n THR 75 Cb 0.05 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.84 4.53 -0.20 -0.78 2.47 -1.24 -4.98 119.74 117.70 2kl5 s LYS 76 Ca 0.29 1.55 -0.00 0.00 -1.56 0.00 0.00 55.97 56.25 2kl5 s LYS 76 Cb 0.29 -3.40 0.05 0.00 -1.46 0.00 0.00 37.83 33.31 2kl5 s LYS 76 CO -0.06 -0.08 -0.04 0.42 0.16 0.00 0.00 175.35 175.75 2kl5 s ILE 77 N 0.85 1.24 0.23 5.43 1.01 -1.26 -0.77 121.20 127.93 2kl5 s ILE 77 Ca 0.53 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 2kl5 s ILE 77 Cb -0.24 -1.51 0.21 0.00 0.01 0.00 0.00 42.46 40.92 2kl5 s ILE 77 CO 0.29 -0.03 1.88 0.28 0.00 0.00 0.00 174.94 177.36 2kl5 h SER 78 N 8.05 0.93 0.71 3.58 0.02 -1.95 -0.71 113.55 124.17 2kl5 h SER 78 Ca -0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2kl5 h SER 78 Cb 1.09 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2kl5 h SER 78 CO 0.40 0.64 0.00 1.07 -1.14 0.00 0.00 176.83 177.80 2kl5 n THR 79 N -4.54 0.82 -0.00 -2.27 5.66 -1.26 -2.39 114.28 110.30 2kl5 n THR 79 Ca 0.11 0.18 -0.12 0.00 -3.05 0.00 0.00 64.05 61.16 2kl5 n THR 79 Cb 0.08 -0.99 -0.08 0.00 -1.55 0.00 0.00 70.33 67.79 2kl5 n THR 79 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2kl5 h LEU 80 N 0.00 0.04 -0.57 1.09 5.85 -1.55 -1.48 115.31 118.69 2kl5 h LEU 80 Ca 0.00 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.52 2kl5 h LEU 80 Cb 0.35 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2kl5 h LEU 80 CO 0.00 0.33 0.13 0.44 -0.34 0.00 0.00 178.44 179.00 2kl5 h ASP 81 N -0.25 0.02 -0.72 1.25 5.19 -1.50 0.78 116.42 121.18 2kl5 h ASP 81 Ca 0.01 0.10 0.06 0.00 -0.62 0.00 0.00 57.03 56.58 2kl5 h ASP 81 Cb 0.31 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 39.90 2kl5 h ASP 81 CO 0.00 0.02 0.42 -0.33 -3.12 0.00 0.00 179.24 176.23 2kl5 h GLU 82 N 0.26 0.75 -0.06 3.56 4.39 -1.47 0.30 114.58 122.32 2kl5 h GLU 82 Ca 0.29 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 2kl5 h GLU 82 Cb 0.42 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2kl5 h GLU 82 CO -0.37 0.49 -0.08 -0.92 -1.16 0.00 0.00 179.01 176.97 2kl5 h TYR 83 N 0.77 0.20 -0.60 4.33 3.20 -0.16 -3.18 116.97 121.53 2kl5 h TYR 83 Ca 0.32 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2kl5 h TYR 83 Cb 0.18 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2kl5 h TYR 83 CO -0.06 0.65 0.28 0.82 -1.64 0.00 0.00 178.16 178.20 2kl5 h ILE 84 N -0.31 1.20 -0.36 1.81 1.08 -0.71 -2.26 117.51 117.96 2kl5 h ILE 84 Ca 0.01 -0.57 0.07 0.00 -0.39 0.00 0.00 64.86 63.97 2kl5 h ILE 84 Cb 0.63 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2kl5 h ILE 84 CO 0.02 0.24 0.25 0.22 -0.69 0.00 0.00 178.15 178.18 2kl5 h TYR 85 N 0.84 0.18 -0.12 1.37 5.03 -0.92 0.41 116.97 123.78 2kl5 h TYR 85 Ca 0.21 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 2kl5 h TYR 85 Cb 0.10 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 2kl5 h TYR 85 CO 0.01 0.10 -0.20 0.93 -1.32 0.00 0.00 178.16 177.68 2kl5 h GLU 86 N 0.18 0.19 0.00 1.82 5.08 -1.41 -3.38 114.58 117.06 2kl5 h GLU 86 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2kl5 h GLU 86 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kl5 h GLU 86 CO -0.03 0.39 -0.37 0.66 -1.00 0.00 0.00 179.01 178.67 2kl5 n TYR 87 N -4.23 0.00 -3.75 4.33 4.01 -0.23 -5.01 117.16 112.28 2kl5 n TYR 87 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 2kl5 n TYR 87 Cb 0.31 -0.19 -0.13 0.00 -0.31 0.00 0.00 39.34 39.03 2kl5 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kl5 n ASN 89 N 4.87 2.29 -1.22 0.00 5.03 -1.26 -4.19 115.26 120.78 2kl5 n ASN 89 Ca -0.14 -0.05 0.11 0.00 0.87 0.00 0.00 54.58 55.36 2kl5 n ASN 89 Cb 0.48 0.19 0.28 0.00 -1.02 0.00 0.00 39.78 39.71 2kl5 n ASN 89 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2kl5 n PHE 90 N -2.78 0.83 -0.26 3.10 3.72 -1.26 -5.03 117.46 115.78 2kl5 n PHE 90 Ca -0.26 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 2kl5 n PHE 90 Cb 0.87 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 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 1.46 -2.70 0.00 1.37 0.00 -1.26 -5.14 105.19 98.92 2kl5 n GLY 91 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2kl5 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl5 s ALA 93 N -1.05 3.27 0.12 0.00 0.00 -1.25 -4.31 121.76 118.53 2kl5 s ALA 93 Ca 0.00 0.39 -0.26 0.00 0.00 0.00 0.00 51.96 52.09 2kl5 s ALA 93 Cb 0.00 -3.85 0.07 0.00 0.00 0.00 0.00 23.12 19.34 2kl5 s ALA 93 CO 0.00 -1.96 0.93 1.52 0.00 0.00 0.00 175.76 176.25 2kl5 s TYR 94 N 5.14 -0.19 0.17 0.00 1.13 -1.02 -2.19 117.35 120.39 2kl5 s TYR 94 Ca 0.69 -0.08 -0.15 0.00 -1.41 0.00 0.00 57.07 56.12 2kl5 s TYR 94 Cb -0.23 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.26 2kl5 s TYR 94 CO 0.28 -0.78 0.42 -0.59 -2.51 0.00 0.00 175.55 172.38 2kl5 s PHE 95 N -3.28 0.00 -0.03 -3.49 -0.71 -0.23 -1.75 117.98 108.50 2kl5 s PHE 95 Ca 0.10 -0.35 0.01 0.00 -1.04 0.00 0.00 56.93 55.65 2kl5 s PHE 95 Cb -0.01 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2kl5 s PHE 95 CO -0.01 -0.80 -0.01 0.08 -1.34 0.00 0.00 175.22 173.14 2kl5 s VAL 96 N -3.88 0.22 0.02 -2.49 1.01 0.05 -1.38 120.40 113.96 2kl5 s VAL 96 Ca 0.10 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2kl5 s VAL 96 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2kl5 s VAL 96 CO -0.05 0.14 -0.25 -0.76 0.00 0.00 0.00 175.10 174.19 2kl5 s LEU 97 N 0.80 2.12 -0.02 3.92 1.02 0.41 -1.60 118.68 125.34 2kl5 s LEU 97 Ca -0.08 -0.52 0.07 0.00 0.02 0.00 0.00 54.13 53.62 2kl5 s LEU 97 Cb -0.12 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.85 2kl5 s LEU 97 CO -0.01 0.26 -0.23 -0.75 0.02 0.00 0.00 176.35 175.63 2kl5 s LYS 98 N -0.99 2.15 -0.20 1.70 2.20 -0.77 -1.72 119.74 122.12 2kl5 s LYS 98 Ca 0.10 -0.90 -0.24 0.00 -0.36 0.00 0.00 55.97 54.57 2kl5 s LYS 98 Cb -0.10 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 2kl5 s LYS 98 CO 0.01 0.57 0.77 0.50 -0.36 0.00 0.00 175.35 176.83 2kl5 s ARG 99 N -0.73 4.23 0.50 4.03 3.52 -0.48 -0.19 118.95 129.84 2kl5 s ARG 99 Ca 0.11 0.87 0.26 0.00 -0.13 0.00 0.00 55.73 56.83 2kl5 s ARG 99 Cb -0.10 -3.60 1.33 0.00 -1.56 0.00 0.00 34.95 31.02 2kl5 s ARG 99 CO -0.00 -0.36 2.03 0.82 -0.81 0.00 0.00 175.30 176.97 2kl5 h ILE 100 N 5.27 0.62 0.00 4.11 1.08 -0.38 -3.46 117.51 124.74 2kl5 h ILE 100 Ca -0.28 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 2kl5 h ILE 100 Cb 1.12 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2kl5 h ILE 100 CO 0.83 0.14 0.00 -1.14 -0.69 0.00 0.00 178.15 177.29 2kl5 n ARG 101 N -3.65 0.00 0.00 2.37 0.63 -1.25 -4.76 116.66 110.00 2kl5 n ARG 101 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2kl5 n ARG 101 Cb 0.27 -0.28 0.00 0.00 0.45 0.00 0.00 32.46 32.90 2kl5 n ARG 101 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2kl5 n LYS 102 N 0.00 0.75 -1.68 -0.14 5.02 -1.26 -4.85 118.16 116.01 2kl5 n LYS 102 Ca 0.00 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.82 2kl5 n LYS 102 Cb 0.00 -1.21 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 2kl5 n LYS 102 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kl5 n LEU 103 N 0.46 3.62 -3.86 -0.35 -0.00 -1.26 -4.96 117.00 110.65 2kl5 n LEU 103 Ca 0.00 0.96 -0.29 0.00 -0.00 0.00 0.00 56.01 56.68 2kl5 n LEU 103 Cb 0.31 -1.41 -0.16 0.00 -0.00 0.00 0.00 43.42 42.16 2kl5 n LEU 103 CO 0.00 0.00 -0.40 -0.70 -0.00 0.00 0.00 177.39 176.30 2kl5 s GLU 104 N 4.00 1.24 -0.27 1.96 2.12 -1.26 -5.04 118.70 121.45 2kl5 s GLU 104 Ca 0.91 -0.82 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 2kl5 s GLU 104 Cb -0.63 -2.41 0.11 0.00 0.26 0.00 0.00 34.13 31.46 2kl5 s GLU 104 CO 0.49 -0.64 0.59 -1.58 -0.54 0.00 0.00 175.26 173.57 2kl5 s HIS 105 N 1.55 -1.15 -0.76 5.30 2.46 -1.26 -5.09 115.29 116.35 2kl5 s HIS 105 Ca -0.03 2.07 -0.25 0.00 0.47 0.00 0.00 55.06 57.32 2kl5 s HIS 105 Cb -0.18 0.64 -0.14 0.00 -0.13 0.00 0.00 32.58 32.77 2kl5 s HIS 105 CO -0.08 -0.59 2.41 1.58 -2.47 0.00 0.00 174.74 175.59 2kl5 n HIS 106 N 5.27 1.14 -2.13 3.88 -0.00 -1.26 -4.91 115.22 117.21 2kl5 n HIS 106 Ca -0.12 0.01 -0.37 0.00 0.46 0.00 0.00 57.72 57.69 2kl5 n HIS 106 Cb 0.50 -2.52 0.01 0.00 -0.12 0.00 0.00 29.99 27.87 2kl5 n HIS 106 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kl5 s HIS 107 N 13.68 2.68 0.15 1.57 -3.43 -1.26 -4.91 115.29 123.77 2kl5 s HIS 107 Ca 0.96 1.50 -0.34 0.00 -0.80 0.00 0.00 55.06 56.38 2kl5 s HIS 107 Cb -0.19 -3.47 -0.15 0.00 -1.43 0.00 0.00 32.58 27.35 2kl5 s HIS 107 CO 0.14 -1.88 1.43 0.72 -2.00 0.00 0.00 174.74 173.14 2kl5 n HIS 108 N -0.81 1.91 -2.21 0.38 8.25 -1.26 -4.90 115.22 116.57 2kl5 n HIS 108 Ca 0.09 0.46 -0.36 0.00 -0.26 0.00 0.00 57.72 57.64 2kl5 n HIS 108 Cb 0.48 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 29.16 2kl5 n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kl5 s HIS 109 N 0.47 2.74 0.00 4.41 2.46 -1.26 -5.31 115.29 118.80 2kl5 s HIS 109 Ca 0.78 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.83 2kl5 s HIS 109 Cb -0.78 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 2kl5 s HIS 109 CO 0.44 -1.66 0.00 -2.39 -2.47 0.00 0.00 174.74 168.66