#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl5 n GLY 16 N 0.00 1.68 0.07 0.00 0.00 -1.26 -4.96 105.19 100.73 1kl5 n GLY 16 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1kl5 n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kl5 h ILE 17 N 0.00 1.45 -3.05 -0.61 2.04 -1.97 -3.46 117.51 111.91 1kl5 h ILE 17 Ca 0.00 -3.17 -0.53 0.00 1.00 0.00 0.00 64.86 62.16 1kl5 h ILE 17 Cb 0.00 2.76 0.07 0.00 -0.74 0.00 0.00 36.82 38.91 1kl5 h ILE 17 CO 0.00 0.85 0.91 -0.89 0.00 0.00 0.00 178.15 179.02 1kl5 s THR 18 N -2.67 2.23 -4.85 -0.27 2.01 -1.26 -4.78 115.64 106.04 1kl5 s THR 18 Ca -0.02 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1kl5 s THR 18 Cb 0.09 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1kl5 s THR 18 CO 0.83 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 1kl5 n GLY 19 N 2.98 0.92 3.63 4.40 0.00 -0.33 -4.99 105.19 111.79 1kl5 n GLY 19 Ca 0.11 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1kl5 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl5 s THR 20 N -3.10 4.25 0.08 2.61 2.01 -1.26 -1.43 115.64 118.80 1kl5 s THR 20 Ca 0.00 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1kl5 s THR 20 Cb 0.00 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1kl5 s THR 20 CO 0.00 0.56 -0.18 0.26 -0.69 0.00 0.00 174.62 174.57 1kl5 s TRP 21 N -0.40 1.51 0.02 4.92 0.52 0.89 -4.61 118.94 121.79 1kl5 s TRP 21 Ca 0.07 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.83 1kl5 s TRP 21 Cb -0.12 -0.85 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 1kl5 s TRP 21 CO 0.02 0.12 -0.16 0.71 0.02 0.00 0.00 176.95 177.66 1kl5 s TYR 22 N -1.11 1.39 0.56 -1.98 2.02 0.07 -0.55 117.35 117.74 1kl5 s TYR 22 Ca 0.03 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.49 1kl5 s TYR 22 Cb -0.10 -0.85 0.07 0.00 -0.40 0.00 0.00 41.96 40.68 1kl5 s TYR 22 CO 0.03 0.02 0.63 0.54 -1.57 0.00 0.00 175.55 175.20 1kl5 s ASN 23 N -0.85 4.91 0.08 2.29 4.22 -0.91 -1.33 114.94 123.35 1kl5 s ASN 23 Ca 0.04 -1.01 0.28 0.00 -2.14 0.00 0.00 52.86 50.03 1kl5 s ASN 23 Cb -0.07 0.33 1.04 0.00 1.28 0.00 0.00 41.25 43.83 1kl5 s ASN 23 CO 0.01 -1.24 1.84 0.00 -2.04 0.00 0.00 177.10 175.67 1kl5 n GLN 24 N -2.04 0.10 0.00 3.55 10.64 -1.26 -3.02 117.38 125.35 1kl5 n GLN 24 Ca 0.08 0.08 0.14 0.00 -1.83 0.00 0.00 57.00 55.47 1kl5 n GLN 24 Cb 0.63 -1.61 0.54 0.00 -0.86 0.00 0.00 30.24 28.93 1kl5 n GLN 24 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1kl5 n LEU 25 N -1.78 0.45 0.00 2.61 4.77 -1.26 -4.93 117.00 116.86 1kl5 n LEU 25 Ca 0.06 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1kl5 n LEU 25 Cb 0.37 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1kl5 n LEU 25 CO 0.29 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1kl5 n GLY 26 N 1.35 0.99 3.91 -0.72 0.00 -1.17 -4.87 105.19 104.68 1kl5 n GLY 26 Ca 0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1kl5 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl5 s SER 27 N -2.01 6.36 0.00 1.61 0.01 -1.26 -3.70 113.70 114.72 1kl5 s SER 27 Ca 0.00 0.72 0.05 0.00 1.31 0.00 0.00 55.95 58.02 1kl5 s SER 27 Cb 0.00 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1kl5 s SER 27 CO 0.00 -0.34 -0.15 -0.89 0.41 0.00 0.00 173.24 172.28 1kl5 s THR 28 N -2.34 1.17 -0.01 1.44 2.01 -0.38 -2.14 115.64 115.38 1kl5 s THR 28 Ca 0.44 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1kl5 s THR 28 Cb -0.10 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1kl5 s THR 28 CO 0.36 0.24 -0.06 0.72 -0.69 0.00 0.00 174.62 175.18 1kl5 s PHE 29 N -0.49 0.61 -0.20 4.92 -0.12 0.28 0.04 117.98 123.02 1kl5 s PHE 29 Ca 0.05 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.78 1kl5 s PHE 29 Cb -0.06 -0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 1kl5 s PHE 29 CO 0.00 -0.03 -0.06 0.42 -0.05 0.00 0.00 175.22 175.50 1kl5 s ILE 30 N -0.02 3.34 0.08 -4.49 1.01 -0.34 -0.08 121.20 120.71 1kl5 s ILE 30 Ca 0.01 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1kl5 s ILE 30 Cb -0.04 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1kl5 s ILE 30 CO -0.00 0.45 -0.13 0.54 0.00 0.00 0.00 174.94 175.79 1kl5 s VAL 31 N 1.20 1.11 -0.10 2.92 0.11 -0.51 -1.28 120.40 123.84 1kl5 s VAL 31 Ca 0.02 -1.41 0.03 0.00 -2.93 0.00 0.00 61.98 57.68 1kl5 s VAL 31 Cb -0.14 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1kl5 s VAL 31 CO -0.02 -0.31 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.36 1kl5 s THR 32 N -1.58 2.50 -0.24 5.04 2.01 0.50 -1.19 115.64 122.68 1kl5 s THR 32 Ca 0.01 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 1kl5 s THR 32 Cb -0.08 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1kl5 s THR 32 CO 0.02 0.55 0.28 0.00 -0.69 0.00 0.00 174.62 174.78 1kl5 s ALA 33 N 0.24 3.57 0.41 7.40 0.00 -1.26 -1.89 121.76 130.23 1kl5 s ALA 33 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1kl5 s ALA 33 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1kl5 s ALA 33 CO 0.07 -0.38 0.63 0.20 0.00 0.00 0.00 175.76 176.27 1kl5 s GLY 34 N 1.29 1.47 0.38 0.00 0.00 0.13 -4.90 107.32 105.69 1kl5 s GLY 34 Ca 0.12 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1kl5 s GLY 34 CO 0.08 -0.85 1.93 0.00 0.00 0.00 0.00 173.10 174.25 1kl5 h ALA 35 N 0.54 1.50 0.00 3.20 0.00 -1.98 -2.76 119.26 119.76 1kl5 h ALA 35 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1kl5 h ALA 35 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1kl5 h ALA 35 CO 0.59 0.36 0.00 -0.40 0.00 0.00 0.00 179.25 179.80 1kl5 n ASP 36 N -4.31 0.00 0.00 0.00 5.75 -1.26 -4.89 116.55 111.84 1kl5 n ASP 36 Ca 0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 1kl5 n ASP 36 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1kl5 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kl5 n GLY 37 N 0.60 0.52 3.83 6.12 0.00 -1.04 -4.95 105.19 110.27 1kl5 n GLY 37 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1kl5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl5 s ALA 38 N -2.00 3.27 -0.11 4.61 0.00 -1.26 -1.62 121.76 124.65 1kl5 s ALA 38 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1kl5 s ALA 38 Cb 0.00 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1kl5 s ALA 38 CO 0.00 0.28 -0.21 -0.51 0.00 0.00 0.00 175.76 175.32 1kl5 s LEU 39 N -2.77 1.99 0.05 0.00 1.43 -0.28 0.18 118.68 119.28 1kl5 s LEU 39 Ca 0.53 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1kl5 s LEU 39 Cb -0.12 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1kl5 s LEU 39 CO 0.18 0.10 -0.11 0.42 0.23 0.00 0.00 176.35 177.16 1kl5 s THR 40 N 0.63 0.85 -2.09 5.49 -4.23 -0.79 -1.05 115.64 114.45 1kl5 s THR 40 Ca -0.13 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1kl5 s THR 40 Cb -0.16 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1kl5 s THR 40 CO 0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1kl5 n GLY 41 N 1.49 -0.53 2.98 3.99 0.00 -0.94 -0.37 105.19 111.81 1kl5 n GLY 41 Ca -0.21 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1kl5 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl5 s THR 42 N -3.00 0.54 -0.16 2.61 2.01 -0.41 -1.53 115.64 115.71 1kl5 s THR 42 Ca 0.00 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1kl5 s THR 42 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1kl5 s THR 42 CO 0.00 0.15 0.06 -0.47 -0.69 0.00 0.00 174.62 173.68 1kl5 s TYR 43 N -0.13 3.28 -0.22 4.92 6.14 0.85 -1.20 117.35 130.99 1kl5 s TYR 43 Ca 0.02 0.15 0.02 0.00 0.64 0.00 0.00 57.07 57.90 1kl5 s TYR 43 Cb -0.03 -2.01 0.05 0.00 0.42 0.00 0.00 41.96 40.39 1kl5 s TYR 43 CO -0.00 0.29 -0.11 0.42 0.64 0.00 0.00 175.55 176.79 1kl5 s ILE 44 N -0.04 1.87 1.02 3.14 1.01 0.11 -1.50 121.20 126.80 1kl5 s ILE 44 Ca 0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 1kl5 s ILE 44 Cb -0.12 -1.95 0.20 0.00 0.01 0.00 0.00 42.46 40.60 1kl5 s ILE 44 CO 0.01 0.10 1.08 -0.83 0.00 0.00 0.00 174.94 175.30 1kl5 s GLY 45 N 1.28 1.58 0.53 6.18 0.00 -0.39 -1.25 107.32 115.25 1kl5 s GLY 45 Ca -0.04 -0.12 0.30 0.00 0.00 0.00 0.00 44.72 44.86 1kl5 s GLY 45 CO -0.07 0.48 1.92 0.00 0.00 0.00 0.00 173.10 175.42 1kl5 h ALA 46 N -2.04 2.75 -0.05 3.20 0.00 -1.90 -1.88 119.26 119.35 1kl5 h ALA 46 Ca -0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1kl5 h ALA 46 Cb 1.31 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1kl5 h ALA 46 CO 0.53 -0.98 -0.00 -0.09 0.00 0.00 0.00 179.25 178.71 1kl5 h ARG 47 N 0.00 0.06 0.00 0.00 9.65 -1.90 -3.47 114.38 118.73 1kl5 h ARG 47 Ca 0.38 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1kl5 h ARG 47 Cb 1.52 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.08 1kl5 h ARG 47 CO -0.01 0.07 0.00 0.41 2.80 0.00 0.00 179.97 183.25 1kl5 n GLY 48 N -1.44 1.35 3.98 2.80 0.00 -0.71 -5.02 105.19 106.15 1kl5 n GLY 48 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1kl5 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kl5 s ASN 49 N -3.10 4.16 0.49 1.61 4.22 -1.26 -4.94 114.94 116.12 1kl5 s ASN 49 Ca 0.00 -0.21 0.13 0.00 -2.14 0.00 0.00 52.86 50.65 1kl5 s ASN 49 Cb 0.00 -0.14 1.14 0.00 1.28 0.00 0.00 41.25 43.53 1kl5 s ASN 49 CO 0.00 -1.99 2.12 0.00 -2.04 0.00 0.00 177.10 175.18 1kl5 h ALA 50 N -0.72 1.90 0.00 3.54 0.00 -1.98 -0.69 119.26 121.31 1kl5 h ALA 50 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1kl5 h ALA 50 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1kl5 h ALA 50 CO 0.41 0.09 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1kl5 n GLU 51 N -4.51 0.13 -0.25 0.00 4.71 -1.26 -2.69 120.64 116.77 1kl5 n GLU 51 Ca -0.01 0.16 0.08 0.00 -0.01 0.00 0.00 57.16 57.38 1kl5 n GLU 51 Cb 0.09 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.24 1kl5 n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1kl5 n SER 52 N -1.39 3.34 -4.78 1.62 7.64 -0.27 -4.86 113.62 114.92 1kl5 n SER 52 Ca 0.06 -2.00 -0.36 0.00 1.01 0.00 0.00 58.87 57.59 1kl5 n SER 52 Cb 0.17 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.97 1kl5 n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1kl5 s ARG 53 N -1.00 3.96 -0.01 1.43 0.52 -1.10 -1.26 118.95 121.49 1kl5 s ARG 53 Ca 0.34 -0.05 -0.06 0.00 -0.52 0.00 0.00 55.73 55.43 1kl5 s ARG 53 Cb 0.18 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1kl5 s ARG 53 CO 0.23 0.46 0.12 0.71 0.02 0.00 0.00 175.30 176.85 1kl5 s TYR 54 N -0.16 0.00 0.39 -0.53 1.51 -0.56 -4.80 117.35 113.21 1kl5 s TYR 54 Ca 0.14 -0.02 -0.24 0.00 -1.01 0.00 0.00 57.07 55.93 1kl5 s TYR 54 Cb -0.12 -0.03 -0.09 0.00 -0.11 0.00 0.00 41.96 41.60 1kl5 s TYR 54 CO 0.03 -0.22 1.04 0.08 -1.11 0.00 0.00 175.55 175.37 1kl5 s VAL 55 N -0.97 3.77 0.05 0.71 1.01 -1.26 -0.11 120.40 123.60 1kl5 s VAL 55 Ca -0.11 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.29 1kl5 s VAL 55 Cb -0.06 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1kl5 s VAL 55 CO 0.01 0.02 -0.15 -1.48 0.00 0.00 0.00 175.10 173.49 1kl5 s LEU 56 N -2.59 2.21 -0.01 3.92 0.05 -0.58 -4.35 118.68 117.34 1kl5 s LEU 56 Ca 0.57 -0.53 -0.06 0.00 0.05 0.00 0.00 54.13 54.16 1kl5 s LEU 56 Cb -0.22 -0.64 0.00 0.00 -2.05 0.00 0.00 46.19 43.28 1kl5 s LEU 56 CO 0.27 0.02 0.12 0.28 -0.55 0.00 0.00 176.35 176.49 1kl5 s THR 57 N -0.99 0.07 0.00 5.48 -1.32 -0.99 -2.21 115.64 115.68 1kl5 s THR 57 Ca 0.02 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1kl5 s THR 57 Cb -0.09 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1kl5 s THR 57 CO 0.02 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 1kl5 n GLY 58 N 1.77 1.60 3.04 6.08 0.00 -0.21 -1.01 105.19 116.46 1kl5 n GLY 58 Ca -0.21 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1kl5 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kl5 s ARG 59 N -0.76 0.44 0.06 1.61 1.81 -0.76 -1.13 118.95 120.22 1kl5 s ARG 59 Ca 0.00 -0.71 -0.12 0.00 -1.72 0.00 0.00 55.73 53.18 1kl5 s ARG 59 Cb 0.00 0.16 0.01 0.00 -0.45 0.00 0.00 34.95 34.67 1kl5 s ARG 59 CO 0.00 -0.09 0.26 1.52 -0.68 0.00 0.00 175.30 176.31 1kl5 s TYR 60 N -2.08 -0.02 -0.48 -0.53 1.13 -0.64 -1.63 117.35 113.10 1kl5 s TYR 60 Ca -0.10 -0.21 -0.28 0.00 -1.41 0.00 0.00 57.07 55.07 1kl5 s TYR 60 Cb -0.05 0.05 -0.00 0.00 -1.10 0.00 0.00 41.96 40.85 1kl5 s TYR 60 CO -0.03 -0.51 1.58 0.34 -2.51 0.00 0.00 175.55 174.42 1kl5 s ASP 61 N -2.30 5.98 0.00 -0.18 2.15 -0.70 -4.57 116.67 117.06 1kl5 s ASP 61 Ca -0.02 0.67 0.28 0.00 0.43 0.00 0.00 52.55 53.91 1kl5 s ASP 61 Cb 0.01 -2.54 1.54 0.00 -0.30 0.00 0.00 42.92 41.63 1kl5 s ASP 61 CO -0.06 -1.75 2.00 -1.54 -0.17 0.00 0.00 175.17 173.66 1kl5 n SER 62 N 10.08 0.31 -3.18 -0.34 3.41 -1.26 -4.10 113.62 118.53 1kl5 n SER 62 Ca 0.17 -1.21 -0.23 0.00 -0.26 0.00 0.00 58.87 57.35 1kl5 n SER 62 Cb 0.49 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1kl5 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kl5 n ALA 63 N -0.71 2.29 -1.10 7.33 0.00 -1.26 -5.02 120.51 122.04 1kl5 n ALA 63 Ca 0.21 -3.37 -0.29 0.00 0.00 0.00 0.00 53.44 49.98 1kl5 n ALA 63 Cb 0.15 -0.84 0.17 0.00 0.00 0.00 0.00 19.45 18.92 1kl5 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kl5 s PRO 64 N -1.38 0.66 0.83 0.00 0.04 -1.26 -4.99 135.00 128.91 1kl5 s PRO 64 Ca 0.36 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.02 1kl5 s PRO 64 Cb 0.20 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 33.09 1kl5 s PRO 64 CO -0.11 -2.63 1.12 0.00 0.04 0.00 0.00 177.00 175.43 1kl5 s ALA 65 N -2.88 1.90 -0.28 8.56 0.00 -1.26 -4.97 121.76 122.83 1kl5 s ALA 65 Ca 0.65 0.45 0.15 0.00 0.00 0.00 0.00 51.96 53.21 1kl5 s ALA 65 Cb -0.19 -3.37 0.41 0.00 0.00 0.00 0.00 23.12 19.97 1kl5 s ALA 65 CO 0.58 -2.22 1.31 0.25 0.00 0.00 0.00 175.76 175.69 1kl5 n THR 66 N -3.78 1.92 0.91 0.00 -2.24 -1.26 -4.55 114.28 105.28 1kl5 n THR 66 Ca 0.11 -1.76 0.06 0.00 -2.27 0.00 0.00 64.05 60.19 1kl5 n THR 66 Cb 0.52 -0.08 0.18 0.00 -2.10 0.00 0.00 70.33 68.86 1kl5 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kl5 n ASP 67 N -0.53 1.87 0.00 3.42 5.68 -1.26 -4.88 116.55 120.85 1kl5 n ASP 67 Ca 0.17 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1kl5 n ASP 67 Cb 0.72 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1kl5 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kl5 n GLY 68 N 1.07 0.18 3.72 6.12 0.00 -1.26 -5.07 105.19 109.95 1kl5 n GLY 68 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1kl5 n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kl5 n SER 69 N 0.00 1.82 -4.41 1.61 7.64 -1.26 -5.03 113.62 113.99 1kl5 n SER 69 Ca 0.00 0.77 -0.29 0.00 1.01 0.00 0.00 58.87 60.36 1kl5 n SER 69 Cb 0.00 -1.54 0.17 0.00 -1.01 0.00 0.00 64.21 61.83 1kl5 n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kl5 s GLY 70 N -1.54 1.62 -0.32 0.23 0.00 -1.26 -4.83 107.32 101.22 1kl5 s GLY 70 Ca 0.81 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 1kl5 s GLY 70 CO 0.43 -0.09 0.20 -1.59 0.00 0.00 0.00 173.10 172.05 1kl5 s THR 71 N -3.34 4.97 0.36 0.90 2.01 -0.01 -4.78 115.64 115.75 1kl5 s THR 71 Ca 0.68 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 62.12 1kl5 s THR 71 Cb -0.11 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1kl5 s THR 71 CO 0.54 0.04 1.10 0.00 -0.69 0.00 0.00 174.62 175.61 1kl5 s ALA 72 N 1.67 3.23 0.28 7.40 0.00 -1.26 -0.95 121.76 132.13 1kl5 s ALA 72 Ca 0.05 0.85 -0.20 0.00 0.00 0.00 0.00 51.96 52.66 1kl5 s ALA 72 Cb -0.17 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1kl5 s ALA 72 CO 0.09 -0.29 0.78 -0.48 0.00 0.00 0.00 175.76 175.86 1kl5 s LEU 73 N -2.16 -0.18 0.02 0.00 0.05 -0.24 -1.72 118.68 114.45 1kl5 s LEU 73 Ca 0.53 -0.70 -0.27 0.00 0.05 0.00 0.00 54.13 53.73 1kl5 s LEU 73 Cb -0.28 2.66 0.09 0.00 -2.05 0.00 0.00 46.19 46.61 1kl5 s LEU 73 CO 0.36 -1.35 0.79 -0.83 -0.55 0.00 0.00 176.35 174.76 1kl5 s GLY 74 N -2.97 -0.50 0.16 -3.48 0.00 -0.65 -1.67 107.32 98.21 1kl5 s GLY 74 Ca 0.12 1.02 -0.17 0.00 0.00 0.00 0.00 44.72 45.69 1kl5 s GLY 74 CO 0.07 0.45 0.46 0.66 0.00 0.00 0.00 173.10 174.75 1kl5 s TRP 75 N -2.81 -0.18 0.01 1.90 -2.14 -0.51 -1.82 118.94 113.38 1kl5 s TRP 75 Ca 0.01 -0.13 0.05 0.00 2.66 0.00 0.00 56.10 58.69 1kl5 s TRP 75 Cb -0.01 0.33 -0.02 0.00 -3.10 0.00 0.00 33.47 30.68 1kl5 s TRP 75 CO -0.06 -0.80 -0.16 0.99 -2.66 0.00 0.00 176.95 174.25 1kl5 s THR 76 N -3.83 1.28 -0.12 0.66 2.01 -0.18 -1.17 115.64 114.30 1kl5 s THR 76 Ca 0.06 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1kl5 s THR 76 Cb 0.01 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1kl5 s THR 76 CO -0.08 0.26 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.22 1kl5 s VAL 77 N -0.54 1.85 -0.17 3.82 1.01 -0.40 -2.34 120.40 123.63 1kl5 s VAL 77 Ca 0.05 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 1kl5 s VAL 77 Cb -0.07 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1kl5 s VAL 77 CO 0.00 0.51 0.30 0.00 0.00 0.00 0.00 175.10 175.91 1kl5 s ALA 78 N 0.81 3.58 -0.02 5.51 0.00 -1.26 -0.95 121.76 129.43 1kl5 s ALA 78 Ca -0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1kl5 s ALA 78 Cb -0.16 -2.42 -0.20 0.00 0.00 0.00 0.00 23.12 20.34 1kl5 s ALA 78 CO -0.00 0.05 3.28 0.91 0.00 0.00 0.00 175.76 180.00 1kl5 n TRP 79 N 3.68 0.08 -4.49 0.00 7.02 -0.21 -4.74 117.44 118.76 1kl5 n TRP 79 Ca -0.11 -1.43 -0.22 0.00 -1.02 0.00 0.00 57.50 54.71 1kl5 n TRP 79 Cb 0.52 -1.39 -0.16 0.00 -2.42 0.00 0.00 31.31 27.86 1kl5 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1kl5 s LYS 80 N 0.68 1.20 0.00 -0.99 2.20 -1.26 -0.84 119.74 120.72 1kl5 s LYS 80 Ca 0.54 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1kl5 s LYS 80 Cb 0.26 -1.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 1kl5 s LYS 80 CO -0.01 0.13 0.00 0.27 -0.36 0.00 0.00 175.35 175.38 1kl5 n ASN 81 N 3.34 0.22 -0.32 1.43 0.23 -0.06 -4.78 115.26 115.32 1kl5 n ASN 81 Ca -0.19 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.99 1kl5 n ASN 81 Cb 0.54 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.59 1kl5 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1kl5 n ASN 82 N 0.00 1.24 -0.00 0.53 3.02 -1.26 -3.94 115.26 114.84 1kl5 n ASN 82 Ca 0.00 -1.07 0.04 0.00 -0.03 0.00 0.00 54.58 53.52 1kl5 n ASN 82 Cb 0.00 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 1kl5 n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1kl5 n TYR 83 N -0.42 0.00 -3.49 3.10 4.01 -1.26 -5.06 117.16 114.04 1kl5 n TYR 83 Ca 0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.77 1kl5 n TYR 83 Cb 0.37 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1kl5 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1kl5 s ARG 84 N -2.57 0.92 -0.14 -0.72 1.70 -1.25 -5.12 118.95 111.77 1kl5 s ARG 84 Ca -0.03 -0.26 -0.04 0.00 -0.47 0.00 0.00 55.73 54.93 1kl5 s ARG 84 Cb 0.05 0.42 0.05 0.00 -0.57 0.00 0.00 34.95 34.91 1kl5 s ARG 84 CO 0.34 -0.38 0.08 1.21 -1.08 0.00 0.00 175.30 175.47 1kl5 s ASN 85 N -2.32 2.05 0.00 -2.89 3.84 -1.26 -0.88 114.94 113.48 1kl5 s ASN 85 Ca 0.02 -0.44 0.25 0.00 0.21 0.00 0.00 52.86 52.90 1kl5 s ASN 85 Cb -0.01 -0.21 0.74 0.00 -0.55 0.00 0.00 41.25 41.22 1kl5 s ASN 85 CO -0.08 -0.33 1.57 0.00 -2.79 0.00 0.00 177.10 175.47 1kl5 n ALA 86 N 5.28 2.52 -3.75 1.71 0.00 -0.02 -4.98 120.51 121.27 1kl5 n ALA 86 Ca -0.06 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.55 1kl5 n ALA 86 Cb 0.49 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.92 1kl5 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kl5 n HIS 87 N 0.58 -1.85 -3.72 0.00 8.25 -1.26 -4.86 115.22 112.36 1kl5 n HIS 87 Ca 0.17 0.65 -0.08 0.00 -0.26 0.00 0.00 57.72 58.20 1kl5 n HIS 87 Cb 0.43 -3.78 -0.02 0.00 1.12 0.00 0.00 29.99 27.73 1kl5 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kl5 s SER 88 N -3.95 -0.35 -0.09 0.41 1.04 -1.26 -1.72 113.70 107.78 1kl5 s SER 88 Ca 0.22 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 1kl5 s SER 88 Cb -0.07 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1kl5 s SER 88 CO 0.85 -1.21 0.25 0.00 0.98 0.00 0.00 173.24 174.11 1kl5 s ALA 89 N -3.83 -0.62 -0.04 5.32 0.00 -0.22 -1.05 121.76 121.32 1kl5 s ALA 89 Ca 0.08 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1kl5 s ALA 89 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1kl5 s ALA 89 CO 0.01 -0.13 -0.17 0.99 0.00 0.00 0.00 175.76 176.46 1kl5 s THR 90 N 0.00 2.85 -0.02 0.00 2.01 -0.13 -0.66 115.64 119.69 1kl5 s THR 90 Ca -0.01 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.25 1kl5 s THR 90 Cb -0.02 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1kl5 s THR 90 CO 0.01 0.59 -0.24 0.42 -0.69 0.00 0.00 174.62 174.71 1kl5 s THR 91 N -0.69 2.25 -0.15 -0.82 -4.23 -0.39 -1.28 115.64 110.32 1kl5 s THR 91 Ca 0.11 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1kl5 s THR 91 Cb -0.11 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 1kl5 s THR 91 CO 0.00 0.58 -0.06 0.26 -0.54 0.00 0.00 174.62 174.86 1kl5 s TRP 92 N -0.64 2.96 -0.08 3.99 0.51 -0.31 -1.64 118.94 123.73 1kl5 s TRP 92 Ca 0.10 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.69 1kl5 s TRP 92 Cb -0.10 -1.93 0.01 0.00 -0.81 0.00 0.00 33.47 30.63 1kl5 s TRP 92 CO -0.01 -0.10 -0.16 0.45 -0.51 0.00 0.00 176.95 176.61 1kl5 s SER 93 N 0.41 2.29 0.00 2.95 0.15 -0.06 -1.42 113.70 118.02 1kl5 s SER 93 Ca -0.06 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1kl5 s SER 93 Cb -0.15 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1kl5 s SER 93 CO 0.04 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1kl5 n GLY 94 N 3.78 0.87 2.99 9.45 0.00 -0.67 -1.35 105.19 120.25 1kl5 n GLY 94 Ca -0.21 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1kl5 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kl5 s GLN 95 N -0.27 0.17 0.02 1.61 -2.07 -0.74 -1.07 119.66 117.31 1kl5 s GLN 95 Ca 0.00 0.01 -0.19 0.00 -1.82 0.00 0.00 55.36 53.36 1kl5 s GLN 95 Cb 0.00 0.08 -0.06 0.00 -1.09 0.00 0.00 33.01 31.94 1kl5 s GLN 95 CO 0.00 -0.03 0.55 -0.47 -1.32 0.00 0.00 175.29 174.03 1kl5 s TYR 96 N -0.25 3.72 -0.21 9.60 5.04 -0.13 -1.21 117.35 133.92 1kl5 s TYR 96 Ca -0.03 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.79 1kl5 s TYR 96 Cb -0.02 -2.52 0.05 0.00 0.35 0.00 0.00 41.96 39.81 1kl5 s TYR 96 CO 0.00 0.46 -0.08 0.08 -1.34 0.00 0.00 175.55 174.68 1kl5 s VAL 97 N -0.59 1.55 0.94 3.14 1.01 0.13 -0.83 120.40 125.75 1kl5 s VAL 97 Ca 0.29 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1kl5 s VAL 97 Cb -0.18 -1.72 0.20 0.00 0.00 0.00 0.00 36.38 34.68 1kl5 s VAL 97 CO 0.17 0.05 1.29 -0.83 0.00 0.00 0.00 175.10 175.77 1kl5 s GLY 98 N 1.41 1.79 0.00 4.51 0.00 -1.26 -0.76 107.32 113.02 1kl5 s GLY 98 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1kl5 s GLY 98 CO -0.07 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.05 1kl5 n GLY 99 N -3.66 0.53 0.25 0.20 0.00 -1.26 -4.65 105.19 96.60 1kl5 n GLY 99 Ca 0.16 -2.27 -0.02 0.00 0.00 0.00 0.00 46.02 43.89 1kl5 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl5 h ALA 100 N 0.00 1.25 -2.06 4.61 0.00 -2.06 -3.21 119.26 117.79 1kl5 h ALA 100 Ca 0.00 -0.27 -0.66 0.00 0.00 0.00 0.00 54.91 53.98 1kl5 h ALA 100 Cb 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 17.79 17.28 1kl5 h ALA 100 CO 0.00 0.49 -0.16 0.39 0.00 0.00 0.00 179.25 179.97 1kl5 n GLU 101 N -4.21 3.44 -1.84 0.00 -0.58 -1.26 -5.07 120.64 111.12 1kl5 n GLU 101 Ca 0.01 -4.71 -0.38 0.00 -0.42 0.00 0.00 57.16 51.65 1kl5 n GLU 101 Cb 0.32 -2.32 0.03 0.00 -0.57 0.00 0.00 31.44 28.90 1kl5 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kl5 s ALA 102 N -3.05 2.88 0.10 0.62 0.00 -1.22 -4.94 121.76 116.15 1kl5 s ALA 102 Ca 0.41 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 1kl5 s ALA 102 Cb 0.17 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1kl5 s ALA 102 CO -0.04 -1.27 0.40 -0.98 0.00 0.00 0.00 175.76 173.87 1kl5 s ARG 103 N -2.84 1.01 -0.26 0.00 1.70 0.06 -4.28 118.95 114.35 1kl5 s ARG 103 Ca 0.70 -0.59 -0.00 0.00 -0.47 0.00 0.00 55.73 55.36 1kl5 s ARG 103 Cb -0.39 0.45 0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1kl5 s ARG 103 CO 0.47 -0.38 -0.07 0.42 -1.08 0.00 0.00 175.30 174.66 1kl5 s ILE 104 N -3.35 2.66 -0.25 4.99 1.01 -0.13 0.18 121.20 126.31 1kl5 s ILE 104 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 60.65 59.28 1kl5 s ILE 104 Cb 0.01 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1kl5 s ILE 104 CO -0.09 0.11 0.31 0.20 0.00 0.00 0.00 174.94 175.48 1kl5 s ASN 105 N 1.25 6.23 0.18 3.58 0.02 -0.35 -0.89 114.94 124.96 1kl5 s ASN 105 Ca -0.03 0.25 0.03 0.00 -1.02 0.00 0.00 52.86 52.10 1kl5 s ASN 105 Cb -0.18 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.86 1kl5 s ASN 105 CO -0.05 -0.10 -0.03 0.42 0.02 0.00 0.00 177.10 177.36 1kl5 s THR 106 N 1.72 0.96 0.07 1.60 -4.23 0.14 -1.79 115.64 114.11 1kl5 s THR 106 Ca 0.13 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1kl5 s THR 106 Cb -0.15 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1kl5 s THR 106 CO 0.09 -0.51 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.31 1kl5 s GLN 107 N -3.84 1.55 0.09 3.99 -0.21 -0.46 -1.92 119.66 118.86 1kl5 s GLN 107 Ca 0.23 -1.15 0.03 0.00 0.02 0.00 0.00 55.36 54.49 1kl5 s GLN 107 Cb 0.05 -1.81 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 1kl5 s GLN 107 CO 0.04 0.45 -0.10 1.67 -2.12 0.00 0.00 175.29 175.24 1kl5 s TRP 108 N -0.91 0.99 -0.10 0.91 1.48 0.11 -0.88 118.94 120.54 1kl5 s TRP 108 Ca 0.11 -0.65 0.02 0.00 -1.06 0.00 0.00 56.10 54.52 1kl5 s TRP 108 Cb -0.10 -0.55 0.01 0.00 -1.16 0.00 0.00 33.47 31.67 1kl5 s TRP 108 CO 0.03 -0.03 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.22 1kl5 s LEU 109 N -2.34 1.81 -0.21 -4.66 1.43 -0.65 -2.01 118.68 112.05 1kl5 s LEU 109 Ca 0.03 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1kl5 s LEU 109 Cb -0.03 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1kl5 s LEU 109 CO -0.00 0.05 -0.15 -0.22 0.23 0.00 0.00 176.35 176.25 1kl5 s LEU 110 N 0.81 2.60 -0.12 1.79 0.20 0.03 -1.27 118.68 122.72 1kl5 s LEU 110 Ca -0.10 -0.82 -0.00 0.00 0.69 0.00 0.00 54.13 53.89 1kl5 s LEU 110 Cb -0.16 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1kl5 s LEU 110 CO 0.01 -0.06 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.02 1kl5 s THR 111 N 1.27 3.32 0.04 3.68 2.01 0.16 -1.44 115.64 124.69 1kl5 s THR 111 Ca 0.01 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1kl5 s THR 111 Cb -0.15 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1kl5 s THR 111 CO -0.10 0.53 0.01 -0.44 -0.69 0.00 0.00 174.62 173.93 1kl5 s SER 112 N 0.11 5.10 0.03 3.53 0.01 0.06 -1.05 113.70 121.49 1kl5 s SER 112 Ca -0.04 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 1kl5 s SER 112 Cb -0.14 -1.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 1kl5 s SER 112 CO 0.04 0.23 1.27 -0.83 0.41 0.00 0.00 173.24 174.36 1kl5 s GLY 113 N -1.92 2.17 0.22 3.44 0.00 -0.70 -4.79 107.32 105.73 1kl5 s GLY 113 Ca 0.23 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1kl5 s GLY 113 CO 0.14 2.22 0.06 -0.51 0.00 0.00 0.00 173.10 175.01 1kl5 s THR 114 N 1.57 0.56 0.80 0.90 -4.23 -1.26 -5.02 115.64 108.96 1kl5 s THR 114 Ca 0.60 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1kl5 s THR 114 Cb -0.30 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.22 1kl5 s THR 114 CO 0.27 -0.21 1.10 0.42 -0.54 0.00 0.00 174.62 175.66 1kl5 s THR 115 N -3.75 3.06 0.32 3.99 -4.23 -1.26 -4.88 115.64 108.89 1kl5 s THR 115 Ca 0.32 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1kl5 s THR 115 Cb 0.07 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 71.11 1kl5 s THR 115 CO 0.09 -0.45 1.95 -0.33 -0.54 0.00 0.00 174.62 175.34 1kl5 h GLU 116 N -1.10 0.96 -0.22 3.99 5.08 -2.01 -1.17 114.58 120.11 1kl5 h GLU 116 Ca -0.47 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1kl5 h GLU 116 Cb 1.27 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1kl5 h GLU 116 CO 0.59 0.64 -0.08 0.00 -1.00 0.00 0.00 179.01 179.16 1kl5 h ALA 117 N 1.53 1.46 -0.63 3.43 0.00 -2.06 -2.80 119.26 120.18 1kl5 h ALA 117 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1kl5 h ALA 117 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1kl5 h ALA 117 CO -0.10 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.62 1kl5 n ASN 118 N -4.28 4.91 0.30 0.00 3.02 -0.47 -4.46 115.26 114.27 1kl5 n ASN 118 Ca 0.00 -2.54 0.16 0.00 -0.03 0.00 0.00 54.58 52.17 1kl5 n ASN 118 Cb 0.26 -0.59 0.92 0.00 -0.61 0.00 0.00 39.78 39.75 1kl5 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kl5 h ALA 119 N 4.01 1.36 0.00 5.41 0.00 -1.20 -1.25 119.26 127.60 1kl5 h ALA 119 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kl5 h ALA 119 Cb 1.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1kl5 h ALA 119 CO 0.27 0.04 -0.06 0.11 0.00 0.00 0.00 179.25 179.61 1kl5 h TRP 120 N 0.00 0.00 -0.72 0.00 5.08 -1.83 -1.33 115.95 117.15 1kl5 h TRP 120 Ca -0.00 0.00 -0.37 0.00 1.08 0.00 0.00 58.89 59.60 1kl5 h TRP 120 Cb 0.10 0.00 -0.22 0.00 -3.00 0.00 0.00 29.16 26.03 1kl5 h TRP 120 CO 0.00 0.06 0.34 0.36 -1.28 0.00 0.00 178.44 177.92 1kl5 n LYS 121 N -4.35 2.11 0.08 0.12 2.85 -0.47 -4.58 118.16 113.93 1kl5 n LYS 121 Ca -0.03 -3.09 -0.01 0.00 -1.05 0.00 0.00 58.31 54.13 1kl5 n LYS 121 Cb 0.14 -2.03 -0.05 0.00 -0.65 0.00 0.00 35.03 32.45 1kl5 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kl5 h SER 122 N 1.05 0.00 -3.26 -5.58 4.64 -1.31 -3.46 113.55 105.63 1kl5 h SER 122 Ca 0.46 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.24 1kl5 h SER 122 Cb 2.35 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 64.07 1kl5 h SER 122 CO 0.80 0.67 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.74 1kl5 s THR 123 N -2.87 1.04 0.23 2.95 2.01 -1.26 -0.76 115.64 116.98 1kl5 s THR 123 Ca 0.01 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 1kl5 s THR 123 Cb 0.08 -1.16 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 1kl5 s THR 123 CO 0.78 0.23 0.54 -0.76 -0.69 0.00 0.00 174.62 174.72 1kl5 s LEU 124 N 1.68 4.17 0.06 4.42 1.43 -0.52 -4.93 118.68 124.99 1kl5 s LEU 124 Ca 0.03 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1kl5 s LEU 124 Cb -0.14 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1kl5 s LEU 124 CO -0.08 -0.07 -0.15 0.54 0.23 0.00 0.00 176.35 176.82 1kl5 s VAL 125 N -1.82 1.22 0.00 -1.59 0.11 -1.26 -0.79 120.40 116.27 1kl5 s VAL 125 Ca 0.47 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 1kl5 s VAL 125 Cb -0.11 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1kl5 s VAL 125 CO 0.22 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1kl5 n GLY 126 N 1.61 1.58 3.00 6.54 0.00 -0.85 -5.00 105.19 112.07 1kl5 n GLY 126 Ca -0.19 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1kl5 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kl5 s HIS 127 N -6.24 0.25 -0.00 1.61 -3.43 -1.26 -0.71 115.29 105.50 1kl5 s HIS 127 Ca 0.00 -0.51 -0.04 0.00 -0.80 0.00 0.00 55.06 53.71 1kl5 s HIS 127 Cb 0.00 -0.18 -0.00 0.00 -1.43 0.00 0.00 32.58 30.97 1kl5 s HIS 127 CO 0.00 -0.21 0.08 0.34 -2.00 0.00 0.00 174.74 172.95 1kl5 s ASP 128 N -1.53 0.06 -0.09 7.38 -1.08 -0.81 -4.94 116.67 115.66 1kl5 s ASP 128 Ca -0.15 -0.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.73 1kl5 s ASP 128 Cb -0.09 0.18 -0.00 0.00 -1.46 0.00 0.00 42.92 41.55 1kl5 s ASP 128 CO -0.01 -0.27 -0.23 -0.89 0.52 0.00 0.00 175.17 174.28 1kl5 s THR 129 N -1.08 1.99 -0.07 1.71 2.01 -1.26 -0.69 115.64 118.26 1kl5 s THR 129 Ca -0.12 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 60.93 1kl5 s THR 129 Cb -0.07 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 1kl5 s THR 129 CO 0.01 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.94 1kl5 s PHE 130 N 0.23 2.62 0.31 4.92 0.40 -0.07 -4.05 117.98 122.34 1kl5 s PHE 130 Ca -0.15 -0.47 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1kl5 s PHE 130 Cb -0.17 -1.66 -0.06 0.00 0.51 0.00 0.00 43.02 41.64 1kl5 s PHE 130 CO 0.07 -0.05 -0.03 0.95 0.70 0.00 0.00 175.22 176.86 1kl5 s THR 131 N -0.28 1.64 -0.65 0.64 -4.23 -0.44 -0.96 115.64 111.35 1kl5 s THR 131 Ca 0.01 -2.09 0.25 0.00 -1.18 0.00 0.00 61.69 58.68 1kl5 s THR 131 Cb -0.13 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.30 1kl5 s THR 131 CO 0.03 -0.19 1.56 0.11 -0.54 0.00 0.00 174.62 175.59 1kl5 h LYS 132 N 2.16 0.00 -6.54 3.99 1.57 -1.82 0.22 116.57 116.15 1kl5 h LYS 132 Ca -0.41 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.69 1kl5 h LYS 132 Cb 1.24 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.35 1kl5 h LYS 132 CO 0.70 0.00 -0.78 0.14 -0.57 0.00 0.00 179.45 178.94 1kl5 s VAL 133 N -3.15 3.04 -1.69 0.50 -7.23 -1.26 -4.85 120.40 105.75 1kl5 s VAL 133 Ca 0.08 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1kl5 s VAL 133 Cb 0.12 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1kl5 s VAL 133 CO 0.66 0.28 0.42 0.29 -0.31 0.00 0.00 175.10 176.44