#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl5 h ILE 17 N 0.00 1.31 -2.34 -0.61 2.04 -1.98 -3.45 117.51 112.49 1kl5 h ILE 17 Ca 0.00 -1.37 -0.57 0.00 1.00 0.00 0.00 64.86 63.92 1kl5 h ILE 17 Cb 0.00 1.58 0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1kl5 h ILE 17 CO 0.00 0.43 0.84 0.41 0.00 0.00 0.00 178.15 179.84 1kl5 n THR 18 N -4.34 0.01 -1.22 -0.27 -1.04 -1.26 -4.84 114.28 101.32 1kl5 n THR 18 Ca -0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1kl5 n THR 18 Cb 0.43 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 1kl5 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kl5 n GLY 19 N 3.53 0.42 3.45 3.41 0.00 -0.11 -5.01 105.19 110.88 1kl5 n GLY 19 Ca 0.17 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.71 4.02 0.21 2.61 2.01 -1.26 -1.22 115.64 119.29 1kl5 s THR 20 Ca 0.00 -0.29 0.11 0.00 0.31 0.00 0.00 61.69 61.82 1kl5 s THR 20 Cb 0.00 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1kl5 s THR 20 CO 0.00 0.42 -0.21 0.26 -0.69 0.00 0.00 174.62 174.40 1kl5 s TRP 21 N 1.05 2.16 -0.01 4.92 0.52 0.42 -4.57 118.94 123.43 1kl5 s TRP 21 Ca 0.02 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.76 1kl5 s TRP 21 Cb -0.14 -1.03 0.01 0.00 -1.15 0.00 0.00 33.47 31.15 1kl5 s TRP 21 CO 0.02 0.51 -0.02 0.71 0.02 0.00 0.00 176.95 178.19 1kl5 s TYR 22 N -2.02 0.30 0.68 -1.98 2.02 0.17 -0.56 117.35 115.95 1kl5 s TYR 22 Ca 0.22 -0.03 -0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1kl5 s TYR 22 Cb -0.06 -0.27 0.10 0.00 -0.40 0.00 0.00 41.96 41.32 1kl5 s TYR 22 CO 0.10 -0.05 0.94 0.54 -1.57 0.00 0.00 175.55 175.50 1kl5 s ASN 23 N 0.36 4.61 0.50 2.29 4.22 -0.93 -1.10 114.94 124.88 1kl5 s ASN 23 Ca -0.03 -0.26 0.33 0.00 -2.14 0.00 0.00 52.86 50.76 1kl5 s ASN 23 Cb -0.06 -0.26 1.60 0.00 1.28 0.00 0.00 41.25 43.81 1kl5 s ASN 23 CO -0.01 -1.67 2.01 0.06 -2.04 0.00 0.00 177.10 175.45 1kl5 h GLN 24 N -0.37 0.00 -0.41 3.55 -0.00 -1.90 -1.22 115.11 114.75 1kl5 h GLN 24 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 1kl5 h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1kl5 h GLN 24 CO 0.44 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.55 1kl5 n LEU 25 N -2.80 3.33 0.00 0.06 4.77 -1.26 -4.87 117.00 116.23 1kl5 n LEU 25 Ca -0.01 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1kl5 n LEU 25 Cb 0.18 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1kl5 n LEU 25 CO 0.21 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1kl5 n GLY 26 N 1.49 0.71 3.80 -0.72 0.00 -0.46 -4.79 105.19 105.22 1kl5 n GLY 26 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.83 5.76 -0.10 1.61 0.01 -1.26 -4.36 113.70 112.53 1kl5 s SER 27 Ca 0.00 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1kl5 s SER 27 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1kl5 s SER 27 CO 0.00 -1.18 -0.11 -0.89 0.41 0.00 0.00 173.24 171.47 1kl5 s THR 28 N -2.46 3.30 -0.26 1.44 2.01 0.06 -2.19 115.64 117.55 1kl5 s THR 28 Ca 0.64 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1kl5 s THR 28 Cb -0.16 -2.37 0.06 0.00 0.01 0.00 0.00 72.50 70.05 1kl5 s THR 28 CO 0.37 0.55 -0.08 0.12 -0.69 0.00 0.00 174.62 174.89 1kl5 s PHE 29 N -0.14 3.02 -0.41 4.92 5.36 0.28 -0.31 117.98 130.70 1kl5 s PHE 29 Ca 0.00 -2.19 -0.15 0.00 -0.96 0.00 0.00 56.93 53.63 1kl5 s PHE 29 Cb -0.13 -1.88 0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1kl5 s PHE 29 CO 0.03 -0.85 0.30 0.42 -1.46 0.00 0.00 175.22 173.66 1kl5 s ILE 30 N 1.18 5.25 0.06 3.12 1.01 -0.02 -0.44 121.20 131.37 1kl5 s ILE 30 Ca -0.07 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1kl5 s ILE 30 Cb -0.20 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1kl5 s ILE 30 CO -0.06 -0.30 -0.15 0.54 0.00 0.00 0.00 174.94 174.97 1kl5 s VAL 31 N 1.68 1.19 -0.13 2.92 0.11 -0.36 -1.23 120.40 124.58 1kl5 s VAL 31 Ca 0.05 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 1kl5 s VAL 31 Cb -0.19 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 1kl5 s VAL 31 CO 0.10 -0.13 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.68 1kl5 s THR 32 N -1.12 1.69 -0.35 5.04 2.01 -0.24 -0.94 115.64 121.73 1kl5 s THR 32 Ca 0.00 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1kl5 s THR 32 Cb -0.09 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1kl5 s THR 32 CO 0.02 0.48 0.25 0.00 -0.69 0.00 0.00 174.62 174.68 1kl5 s ALA 33 N 1.08 3.50 0.54 7.40 0.00 -1.26 -1.53 121.76 131.49 1kl5 s ALA 33 Ca -0.03 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 1kl5 s ALA 33 Cb -0.14 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 1kl5 s ALA 33 CO -0.05 -1.04 0.98 0.20 0.00 0.00 0.00 175.76 175.86 1kl5 s GLY 34 N 1.72 1.92 0.51 0.00 0.00 0.50 -4.89 107.32 107.07 1kl5 s GLY 34 Ca 0.06 0.06 0.20 0.00 0.00 0.00 0.00 44.72 45.04 1kl5 s GLY 34 CO 0.10 0.32 2.11 0.00 0.00 0.00 0.00 173.10 175.64 1kl5 h ALA 35 N 0.54 1.70 -0.25 3.20 0.00 -1.98 -2.73 119.26 119.74 1kl5 h ALA 35 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1kl5 h ALA 35 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kl5 h ALA 35 CO 0.62 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 1kl5 n ASP 36 N -4.19 1.65 0.00 0.00 5.75 -1.26 -4.88 116.55 113.61 1kl5 n ASP 36 Ca -0.03 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1kl5 n ASP 36 Cb 0.16 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 1.05 0.70 3.82 6.12 0.00 -1.03 -4.98 105.19 110.87 1kl5 n GLY 37 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.13 3.32 -0.11 4.61 0.00 -1.26 -1.33 121.76 124.86 1kl5 s ALA 38 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1kl5 s ALA 38 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1kl5 s ALA 38 CO 0.00 0.28 -0.19 -0.51 0.00 0.00 0.00 175.76 175.34 1kl5 s LEU 39 N -2.31 2.38 0.06 0.00 1.43 -0.33 -0.37 118.68 119.54 1kl5 s LEU 39 Ca 0.48 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1kl5 s LEU 39 Cb -0.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1kl5 s LEU 39 CO 0.20 0.18 -0.05 0.42 0.23 0.00 0.00 176.35 177.33 1kl5 s THR 40 N 0.23 0.38 -4.42 5.49 -4.23 -0.58 -0.70 115.64 111.81 1kl5 s THR 40 Ca -0.12 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1kl5 s THR 40 Cb -0.16 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1kl5 s THR 40 CO 0.07 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1kl5 n GLY 41 N 0.52 -0.51 3.03 3.99 0.00 -1.10 -1.08 105.19 110.04 1kl5 n GLY 41 Ca -0.16 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.26 0.72 -0.13 2.61 2.01 -0.36 -1.56 115.64 115.66 1kl5 s THR 42 Ca 0.00 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 1kl5 s THR 42 Cb 0.00 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1kl5 s THR 42 CO 0.00 0.19 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.57 1kl5 s TYR 43 N -0.24 2.92 -0.16 4.92 6.14 0.21 -0.84 117.35 130.30 1kl5 s TYR 43 Ca 0.03 -0.34 0.00 0.00 0.64 0.00 0.00 57.07 57.40 1kl5 s TYR 43 Cb -0.04 -1.86 0.03 0.00 0.42 0.00 0.00 41.96 40.51 1kl5 s TYR 43 CO -0.00 -0.01 -0.13 0.42 0.64 0.00 0.00 175.55 176.46 1kl5 s ILE 44 N 0.08 1.59 0.94 3.14 1.01 0.57 -0.77 121.20 127.77 1kl5 s ILE 44 Ca -0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 1kl5 s ILE 44 Cb -0.14 -1.53 0.15 0.00 0.01 0.00 0.00 42.46 40.95 1kl5 s ILE 44 CO 0.03 0.40 1.09 -0.83 0.00 0.00 0.00 174.94 175.63 1kl5 s GLY 45 N 1.47 1.63 0.42 6.18 0.00 -0.74 -0.76 107.32 115.51 1kl5 s GLY 45 Ca 0.04 0.11 0.18 0.00 0.00 0.00 0.00 44.72 45.04 1kl5 s GLY 45 CO -0.10 0.61 1.84 0.00 0.00 0.00 0.00 173.10 175.45 1kl5 h ALA 46 N -1.78 2.22 -0.76 3.20 0.00 -1.87 -0.52 119.26 119.75 1kl5 h ALA 46 Ca -0.50 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1kl5 h ALA 46 Cb 1.28 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1kl5 h ALA 46 CO 0.50 -0.53 0.50 -0.09 0.00 0.00 0.00 179.25 179.64 1kl5 h ARG 47 N 0.40 0.77 0.00 0.00 2.43 -1.90 -3.47 114.38 112.61 1kl5 h ARG 47 Ca 0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1kl5 h ARG 47 Cb 1.25 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1kl5 h ARG 47 CO -0.20 0.51 0.00 0.41 -1.51 0.00 0.00 179.97 179.18 1kl5 n GLY 48 N -1.44 1.19 3.95 2.80 0.00 -0.20 -5.04 105.19 106.44 1kl5 n GLY 48 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.11 4.21 0.33 1.61 2.20 -1.26 -4.94 114.94 113.97 1kl5 s ASN 49 Ca 0.00 0.21 0.03 0.00 -0.94 0.00 0.00 52.86 52.15 1kl5 s ASN 49 Cb 0.00 -0.61 0.61 0.00 -2.00 0.00 0.00 41.25 39.25 1kl5 s ASN 49 CO 0.00 -1.99 1.94 0.00 -2.94 0.00 0.00 177.10 174.10 1kl5 h ALA 50 N -0.89 1.58 0.00 3.54 0.00 -1.99 0.79 119.26 122.29 1kl5 h ALA 50 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1kl5 h ALA 50 Cb 1.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1kl5 h ALA 50 CO 0.49 0.30 0.00 0.39 0.00 0.00 0.00 179.25 180.43 1kl5 n GLU 51 N -4.48 0.04 -0.32 0.00 4.71 -1.26 -2.43 120.64 116.90 1kl5 n GLU 51 Ca 0.12 0.23 0.10 0.00 -0.01 0.00 0.00 57.16 57.60 1kl5 n GLU 51 Cb 0.19 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.39 1kl5 n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1kl5 n SER 52 N -1.46 3.68 -4.79 1.62 3.41 0.27 -4.86 113.62 111.49 1kl5 n SER 52 Ca 0.04 -2.03 -0.37 0.00 -0.26 0.00 0.00 58.87 56.25 1kl5 n SER 52 Cb 0.16 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1kl5 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kl5 s ARG 53 N -1.06 3.95 0.02 4.33 0.52 -1.02 -1.78 118.95 123.91 1kl5 s ARG 53 Ca 0.41 0.05 -0.01 0.00 -0.52 0.00 0.00 55.73 55.65 1kl5 s ARG 53 Cb 0.22 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 1kl5 s ARG 53 CO 0.27 0.49 0.00 0.71 0.02 0.00 0.00 175.30 176.79 1kl5 s TYR 54 N -0.26 0.23 0.28 -0.53 1.51 0.05 -4.80 117.35 113.82 1kl5 s TYR 54 Ca 0.16 -0.47 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 1kl5 s TYR 54 Cb -0.13 -0.17 -0.09 0.00 -0.11 0.00 0.00 41.96 41.46 1kl5 s TYR 54 CO 0.05 -0.21 0.92 0.08 -1.11 0.00 0.00 175.55 175.28 1kl5 s VAL 55 N -1.52 4.18 0.11 0.71 1.01 -1.26 -0.62 120.40 123.01 1kl5 s VAL 55 Ca -0.15 1.89 0.06 0.00 0.00 0.00 0.00 61.98 63.78 1kl5 s VAL 55 Cb -0.09 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1kl5 s VAL 55 CO -0.01 0.30 -0.15 -1.48 0.00 0.00 0.00 175.10 173.76 1kl5 s LEU 56 N -1.67 2.36 -0.00 3.92 0.05 -0.60 -4.42 118.68 118.31 1kl5 s LEU 56 Ca 0.46 -0.75 -0.08 0.00 0.05 0.00 0.00 54.13 53.81 1kl5 s LEU 56 Cb -0.21 -0.59 0.00 0.00 -2.05 0.00 0.00 46.19 43.33 1kl5 s LEU 56 CO 0.27 -0.10 0.15 0.28 -0.55 0.00 0.00 176.35 176.40 1kl5 s THR 57 N -1.82 0.08 0.00 5.48 -1.32 -1.00 -2.70 115.64 114.36 1kl5 s THR 57 Ca 0.06 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1kl5 s THR 57 Cb -0.07 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.50 1kl5 s THR 57 CO 0.03 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 1kl5 n GLY 58 N 1.56 2.28 3.17 6.08 0.00 0.13 -1.33 105.19 117.08 1kl5 n GLY 58 Ca -0.22 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 0.66 0.65 0.12 1.61 1.81 -0.68 -1.18 118.95 121.94 1kl5 s ARG 59 Ca 0.00 -0.58 -0.08 0.00 -1.72 0.00 0.00 55.73 53.35 1kl5 s ARG 59 Cb 0.00 0.27 -0.01 0.00 -0.45 0.00 0.00 34.95 34.76 1kl5 s ARG 59 CO 0.00 -0.18 0.21 1.52 -0.68 0.00 0.00 175.30 176.17 1kl5 s TYR 60 N -2.32 0.31 -0.49 -0.53 1.13 -0.44 -1.51 117.35 113.49 1kl5 s TYR 60 Ca -0.07 -0.71 -0.29 0.00 -1.41 0.00 0.00 57.07 54.59 1kl5 s TYR 60 Cb -0.02 -0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.76 1kl5 s TYR 60 CO -0.03 -0.61 1.26 0.34 -2.51 0.00 0.00 175.55 174.01 1kl5 s ASP 61 N -2.92 6.45 0.00 -0.18 -1.08 -0.66 -4.59 116.67 113.69 1kl5 s ASP 61 Ca 0.11 0.49 0.22 0.00 -0.52 0.00 0.00 52.55 52.85 1kl5 s ASP 61 Cb 0.04 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 40.07 1kl5 s ASP 61 CO -0.06 -1.40 1.74 -1.54 0.52 0.00 0.00 175.17 174.43 1kl5 n SER 62 N 8.45 0.61 -3.07 -0.34 3.41 -1.26 -4.11 113.62 117.31 1kl5 n SER 62 Ca 0.13 -1.45 -0.19 0.00 -0.26 0.00 0.00 58.87 57.09 1kl5 n SER 62 Cb 0.49 -0.03 -0.04 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 -0.42 1.27 -1.25 7.33 0.00 -1.26 -5.04 120.51 121.14 1kl5 n ALA 63 Ca 0.16 -2.76 -0.29 0.00 0.00 0.00 0.00 53.44 50.55 1kl5 n ALA 63 Cb 0.17 -0.97 0.15 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.53 1.06 0.57 0.00 0.04 -1.26 -5.00 135.00 129.89 1kl5 s PRO 64 Ca 0.34 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 1kl5 s PRO 64 Cb 0.17 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 1kl5 s PRO 64 CO -0.15 -2.34 1.09 0.00 0.04 0.00 0.00 177.00 175.64 1kl5 s ALA 65 N -2.99 2.68 -0.82 8.56 0.00 -1.26 -4.96 121.76 122.97 1kl5 s ALA 65 Ca 0.64 0.62 0.17 0.00 0.00 0.00 0.00 51.96 53.38 1kl5 s ALA 65 Cb -0.18 -3.30 0.75 0.00 0.00 0.00 0.00 23.12 20.39 1kl5 s ALA 65 CO 0.57 -0.81 1.66 0.25 0.00 0.00 0.00 175.76 177.43 1kl5 n THR 66 N -1.68 2.14 0.24 0.00 -2.24 -1.26 -4.45 114.28 107.04 1kl5 n THR 66 Ca 0.10 -1.29 0.04 0.00 -2.27 0.00 0.00 64.05 60.63 1kl5 n THR 66 Cb 0.52 -0.01 0.20 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.91 3.04 0.00 3.42 5.68 -1.26 -4.89 116.55 123.46 1kl5 n ASP 67 Ca 0.26 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1kl5 n ASP 67 Cb 0.99 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.55 0.49 3.90 6.12 0.00 -1.26 -5.07 105.19 109.92 1kl5 n GLY 68 Ca 0.14 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1kl5 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl5 s SER 69 N -2.84 6.39 0.96 1.61 0.01 -1.26 -5.11 113.70 113.47 1kl5 s SER 69 Ca 0.00 0.93 -0.13 0.00 1.31 0.00 0.00 55.95 58.06 1kl5 s SER 69 Cb 0.00 -2.24 0.17 0.00 0.21 0.00 0.00 66.02 64.16 1kl5 s SER 69 CO 0.00 -0.42 1.14 -0.83 0.41 0.00 0.00 173.24 173.54 1kl5 s GLY 70 N -3.58 1.59 -0.34 3.44 0.00 -1.26 -4.79 107.32 102.37 1kl5 s GLY 70 Ca 0.48 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 1kl5 s GLY 70 CO 0.37 0.03 0.19 -1.59 0.00 0.00 0.00 173.10 172.10 1kl5 s THR 71 N -3.24 4.77 0.45 0.90 2.01 -0.28 -4.79 115.64 115.46 1kl5 s THR 71 Ca 0.66 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 1kl5 s THR 71 Cb -0.14 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 1kl5 s THR 71 CO 0.54 -0.06 1.15 0.00 -0.69 0.00 0.00 174.62 175.57 1kl5 s ALA 72 N 1.62 2.98 0.11 7.40 0.00 -1.26 -0.77 121.76 131.84 1kl5 s ALA 72 Ca 0.04 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 1kl5 s ALA 72 Cb -0.18 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.64 1kl5 s ALA 72 CO 0.07 -0.62 0.84 -0.48 0.00 0.00 0.00 175.76 175.58 1kl5 s LEU 73 N -3.00 -0.33 0.15 0.00 0.05 -0.46 -1.65 118.68 113.44 1kl5 s LEU 73 Ca 0.63 -0.20 -0.23 0.00 0.05 0.00 0.00 54.13 54.38 1kl5 s LEU 73 Cb -0.28 2.25 0.07 0.00 -2.05 0.00 0.00 46.19 46.18 1kl5 s LEU 73 CO 0.34 -0.86 0.59 -0.83 -0.55 0.00 0.00 176.35 175.04 1kl5 s GLY 74 N -2.73 -0.60 0.23 -3.48 0.00 -0.57 -1.57 107.32 98.60 1kl5 s GLY 74 Ca 0.07 0.50 -0.17 0.00 0.00 0.00 0.00 44.72 45.12 1kl5 s GLY 74 CO -0.04 0.17 0.56 0.66 0.00 0.00 0.00 173.10 174.46 1kl5 s TRP 75 N -3.62 -0.02 0.02 1.90 -2.14 -0.53 -1.68 118.94 112.88 1kl5 s TRP 75 Ca 0.00 -0.36 0.04 0.00 2.66 0.00 0.00 56.10 58.44 1kl5 s TRP 75 Cb -0.01 0.43 -0.02 0.00 -3.10 0.00 0.00 33.47 30.77 1kl5 s TRP 75 CO -0.12 -1.02 -0.12 0.99 -2.66 0.00 0.00 176.95 174.02 1kl5 s THR 76 N -3.92 0.94 -0.10 0.66 2.01 -0.44 -1.13 115.64 113.67 1kl5 s THR 76 Ca 0.13 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1kl5 s THR 76 Cb -0.02 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1kl5 s THR 76 CO 0.03 0.04 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.16 1kl5 s VAL 77 N -0.70 1.43 -0.15 3.82 1.01 -0.65 -2.37 120.40 122.79 1kl5 s VAL 77 Ca 0.01 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1kl5 s VAL 77 Cb -0.07 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1kl5 s VAL 77 CO 0.01 0.43 0.45 0.00 0.00 0.00 0.00 175.10 175.98 1kl5 s ALA 78 N 0.91 3.51 -1.15 5.51 0.00 -1.26 -0.28 121.76 129.01 1kl5 s ALA 78 Ca -0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1kl5 s ALA 78 Cb -0.15 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.39 1kl5 s ALA 78 CO -0.00 -0.09 2.60 0.91 0.00 0.00 0.00 175.76 179.18 1kl5 n TRP 79 N 3.92 2.27 -4.22 0.00 7.02 -0.57 -4.77 117.44 121.09 1kl5 n TRP 79 Ca -0.07 -2.64 -0.21 0.00 -1.02 0.00 0.00 57.50 53.56 1kl5 n TRP 79 Cb 0.51 -1.83 -0.16 0.00 -2.42 0.00 0.00 31.31 27.41 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 -0.69 0.98 0.00 -0.99 2.20 -1.26 -0.85 119.74 119.13 1kl5 s LYS 80 Ca 0.58 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1kl5 s LYS 80 Cb 0.23 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.60 1kl5 s LYS 80 CO -0.11 -0.07 0.00 0.27 -0.36 0.00 0.00 175.35 175.08 1kl5 n ASN 81 N 4.05 0.00 0.00 1.43 0.23 -0.47 -4.81 115.26 115.68 1kl5 n ASN 81 Ca -0.24 -0.55 0.10 0.00 -0.53 0.00 0.00 54.58 53.36 1kl5 n ASN 81 Cb 0.51 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.67 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 -1.63 0.00 -0.04 0.53 3.02 -1.26 -3.47 115.26 112.41 1kl5 n ASN 82 Ca 0.00 0.42 -0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1kl5 n ASN 82 Cb 0.00 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.59 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 -1.47 0.00 -3.71 3.10 4.01 -1.26 -5.05 117.16 112.79 1kl5 n TYR 83 Ca 0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.70 1kl5 n TYR 83 Cb 0.23 -0.56 -0.04 0.00 -0.31 0.00 0.00 39.34 38.66 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 -2.68 1.26 -0.18 -0.72 1.70 -1.23 -5.14 118.95 111.97 1kl5 s ARG 84 Ca -0.07 -0.82 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1kl5 s ARG 84 Cb 0.07 0.50 0.08 0.00 -0.57 0.00 0.00 34.95 35.02 1kl5 s ARG 84 CO 0.62 -0.52 0.16 1.21 -1.08 0.00 0.00 175.30 175.69 1kl5 s ASN 85 N -2.85 1.80 0.00 -2.89 3.84 -1.26 -1.37 114.94 112.21 1kl5 s ASN 85 Ca 0.07 -0.39 0.19 0.00 0.21 0.00 0.00 52.86 52.95 1kl5 s ASN 85 Cb 0.00 0.09 0.74 0.00 -0.55 0.00 0.00 41.25 41.53 1kl5 s ASN 85 CO -0.06 -0.33 1.53 0.00 -2.79 0.00 0.00 177.10 175.45 1kl5 n ALA 86 N 5.30 2.52 -3.86 1.71 0.00 -0.03 -4.96 120.51 121.19 1kl5 n ALA 86 Ca -0.06 -0.48 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 1kl5 n ALA 86 Cb 0.49 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 0.22 -1.72 -3.61 0.00 -0.00 -1.26 -4.86 115.22 103.99 1kl5 n HIS 87 Ca 0.15 0.55 -0.10 0.00 -0.00 0.00 0.00 57.72 58.32 1kl5 n HIS 87 Cb 0.30 -3.49 -0.03 0.00 -0.00 0.00 0.00 29.99 26.77 1kl5 n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1kl5 s SER 88 N -3.91 -0.39 -0.00 0.41 1.04 -1.26 -1.17 113.70 108.41 1kl5 s SER 88 Ca 0.25 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.33 1kl5 s SER 88 Cb -0.10 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1kl5 s SER 88 CO 0.89 -1.06 0.14 0.00 0.98 0.00 0.00 173.24 174.19 1kl5 s ALA 89 N -3.82 -0.32 -0.04 5.32 0.00 -0.19 -1.52 121.76 121.19 1kl5 s ALA 89 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1kl5 s ALA 89 Cb -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1kl5 s ALA 89 CO -0.06 -0.19 -0.25 0.99 0.00 0.00 0.00 175.76 176.25 1kl5 s THR 90 N -1.20 1.98 -0.04 0.00 2.01 0.62 -0.76 115.64 118.25 1kl5 s THR 90 Ca -0.13 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 60.90 1kl5 s THR 90 Cb -0.07 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1kl5 s THR 90 CO 0.01 0.55 -0.25 0.42 -0.69 0.00 0.00 174.62 174.67 1kl5 s THR 91 N -0.33 2.10 -0.13 -0.82 -4.23 -0.03 -1.64 115.64 110.56 1kl5 s THR 91 Ca 0.02 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1kl5 s THR 91 Cb -0.12 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1kl5 s THR 91 CO 0.02 0.58 -0.05 0.26 -0.54 0.00 0.00 174.62 174.88 1kl5 s TRP 92 N -0.45 2.99 -0.08 3.99 0.51 -0.28 -1.51 118.94 124.12 1kl5 s TRP 92 Ca 0.05 -0.23 0.03 0.00 -2.12 0.00 0.00 56.10 53.83 1kl5 s TRP 92 Cb -0.11 -1.88 0.01 0.00 -0.81 0.00 0.00 33.47 30.67 1kl5 s TRP 92 CO 0.01 0.06 -0.17 0.45 -0.51 0.00 0.00 176.95 176.79 1kl5 s SER 93 N 0.03 2.26 0.00 2.95 0.15 0.36 -1.45 113.70 118.00 1kl5 s SER 93 Ca -0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1kl5 s SER 93 Cb -0.13 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1kl5 s SER 93 CO 0.03 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1kl5 n GLY 94 N 3.68 1.78 3.08 9.45 0.00 -0.61 -1.46 105.19 121.12 1kl5 n GLY 94 Ca -0.21 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 1.04 0.34 0.05 1.61 -2.07 -0.62 -1.35 119.66 118.66 1kl5 s GLN 95 Ca 0.00 -0.06 -0.17 0.00 -1.82 0.00 0.00 55.36 53.31 1kl5 s GLN 95 Cb 0.00 0.15 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 1kl5 s GLN 95 CO 0.00 -0.07 0.50 -0.47 -1.32 0.00 0.00 175.29 173.93 1kl5 s TYR 96 N -0.61 3.77 -0.18 9.60 5.04 0.05 -1.76 117.35 133.25 1kl5 s TYR 96 Ca -0.07 1.15 -0.00 0.00 -2.44 0.00 0.00 57.07 55.71 1kl5 s TYR 96 Cb -0.04 -2.40 0.04 0.00 0.35 0.00 0.00 41.96 39.91 1kl5 s TYR 96 CO 0.01 0.61 -0.06 0.08 -1.34 0.00 0.00 175.55 174.85 1kl5 s VAL 97 N -1.11 1.25 0.00 3.14 1.01 0.04 -1.13 120.40 123.60 1kl5 s VAL 97 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1kl5 s VAL 97 Cb -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1kl5 s VAL 97 CO 0.17 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1kl5 n GLY 98 N 4.82 -0.37 0.00 4.51 0.00 -1.26 -1.75 105.19 111.13 1kl5 n GLY 98 Ca -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1kl5 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kl5 n GLY 99 N 5.00 -0.32 0.21 -0.02 0.00 -1.26 -4.67 105.19 104.14 1kl5 n GLY 99 Ca 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.64 -3.13 4.61 0.00 -2.06 -3.23 119.26 114.81 1kl5 h ALA 100 Ca 0.00 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.19 1kl5 h ALA 100 Cb 0.00 0.77 -0.35 0.00 0.00 0.00 0.00 17.79 18.22 1kl5 h ALA 100 CO 0.00 -0.73 -0.48 -1.83 0.00 0.00 0.00 179.25 176.21 1kl5 s GLU 101 N -4.22 2.21 0.57 0.00 -1.05 -1.26 -5.07 118.70 109.87 1kl5 s GLU 101 Ca -0.07 -2.07 -0.19 0.00 -0.15 0.00 0.00 54.97 52.49 1kl5 s GLU 101 Cb 0.03 -3.65 -0.05 0.00 -0.44 0.00 0.00 34.13 30.03 1kl5 s GLU 101 CO 0.28 -1.11 1.18 0.00 0.95 0.00 0.00 175.26 176.55 1kl5 s ALA 102 N 0.73 2.63 0.11 -0.84 0.00 -1.22 -4.94 121.76 118.23 1kl5 s ALA 102 Ca 0.11 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 1kl5 s ALA 102 Cb -0.22 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1kl5 s ALA 102 CO -0.04 -0.98 0.33 -0.98 0.00 0.00 0.00 175.76 174.09 1kl5 s ARG 103 N -3.27 0.99 -0.16 0.00 1.70 -0.72 -4.28 118.95 113.22 1kl5 s ARG 103 Ca 0.75 -0.78 0.02 0.00 -0.47 0.00 0.00 55.73 55.24 1kl5 s ARG 103 Cb -0.28 0.43 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1kl5 s ARG 103 CO 0.31 -0.37 -0.20 0.42 -1.08 0.00 0.00 175.30 174.38 1kl5 s ILE 104 N -3.80 2.16 -0.25 4.99 1.01 -0.26 -0.78 121.20 124.27 1kl5 s ILE 104 Ca 0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 1kl5 s ILE 104 Cb 0.03 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1kl5 s ILE 104 CO -0.12 0.54 0.13 0.20 0.00 0.00 0.00 174.94 175.70 1kl5 s ASN 105 N 0.97 5.76 0.15 3.58 0.02 -0.73 -0.58 114.94 124.12 1kl5 s ASN 105 Ca -0.03 -0.01 0.02 0.00 -1.02 0.00 0.00 52.86 51.82 1kl5 s ASN 105 Cb -0.15 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 1kl5 s ASN 105 CO -0.05 0.02 -0.03 0.42 0.02 0.00 0.00 177.10 177.48 1kl5 s THR 106 N 1.34 0.75 0.08 1.60 -4.23 -0.31 -1.58 115.64 113.28 1kl5 s THR 106 Ca 0.06 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1kl5 s THR 106 Cb -0.15 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1kl5 s THR 106 CO 0.06 -0.61 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.17 1kl5 s GLN 107 N -3.87 1.58 0.10 3.99 -1.52 -0.54 -1.90 119.66 117.51 1kl5 s GLN 107 Ca 0.20 -1.17 0.04 0.00 -1.95 0.00 0.00 55.36 52.48 1kl5 s GLN 107 Cb 0.05 -1.86 -0.04 0.00 -0.22 0.00 0.00 33.01 30.95 1kl5 s GLN 107 CO 0.01 0.47 -0.10 1.67 -0.25 0.00 0.00 175.29 177.09 1kl5 s TRP 108 N -0.91 1.09 -0.10 0.91 1.48 -0.26 -0.48 118.94 120.67 1kl5 s TRP 108 Ca 0.12 -0.68 0.02 0.00 -1.06 0.00 0.00 56.10 54.50 1kl5 s TRP 108 Cb -0.10 -0.59 0.01 0.00 -1.16 0.00 0.00 33.47 31.63 1kl5 s TRP 108 CO 0.03 0.01 -0.16 -0.51 -4.06 0.00 0.00 176.95 172.26 1kl5 s LEU 109 N -2.55 1.78 -0.28 -4.66 1.43 -0.57 -1.85 118.68 111.98 1kl5 s LEU 109 Ca 0.07 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1kl5 s LEU 109 Cb -0.02 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1kl5 s LEU 109 CO -0.00 0.04 -0.04 -0.22 0.23 0.00 0.00 176.35 176.36 1kl5 s LEU 110 N 0.81 3.59 -0.12 1.79 0.20 -0.36 -0.85 118.68 123.74 1kl5 s LEU 110 Ca -0.10 -1.16 0.00 0.00 0.69 0.00 0.00 54.13 53.56 1kl5 s LEU 110 Cb -0.16 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 1kl5 s LEU 110 CO 0.01 -0.21 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.85 1kl5 s THR 111 N 1.25 3.05 0.05 3.68 2.01 0.06 -0.34 115.64 125.40 1kl5 s THR 111 Ca -0.04 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1kl5 s THR 111 Cb -0.19 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1kl5 s THR 111 CO -0.03 0.53 0.12 -0.44 -0.69 0.00 0.00 174.62 174.11 1kl5 s SER 112 N 0.27 5.84 0.22 3.53 0.01 -0.07 -1.02 113.70 122.48 1kl5 s SER 112 Ca -0.10 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 1kl5 s SER 112 Cb -0.16 -1.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.31 1kl5 s SER 112 CO 0.05 0.20 1.10 -0.83 0.41 0.00 0.00 173.24 174.17 1kl5 s GLY 113 N -2.22 2.93 0.24 3.44 0.00 -0.31 -4.81 107.32 106.59 1kl5 s GLY 113 Ca 0.29 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1kl5 s GLY 113 CO 0.21 1.59 0.19 -0.51 0.00 0.00 0.00 173.10 174.57 1kl5 s THR 114 N -0.61 0.00 0.86 0.90 -4.23 -1.26 -5.03 115.64 106.27 1kl5 s THR 114 Ca 0.47 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 1kl5 s THR 114 Cb -0.30 -2.49 0.11 0.00 1.34 0.00 0.00 72.50 71.16 1kl5 s THR 114 CO 0.37 0.00 1.19 0.42 -0.54 0.00 0.00 174.62 176.06 1kl5 s THR 115 N -3.96 1.99 0.23 3.99 -4.23 -1.26 -4.90 115.64 107.49 1kl5 s THR 115 Ca 0.39 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1kl5 s THR 115 Cb 0.05 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 71.15 1kl5 s THR 115 CO 0.16 0.00 1.79 -0.33 -0.54 0.00 0.00 174.62 175.70 1kl5 h GLU 116 N -1.27 0.65 0.00 3.99 5.08 -2.00 -2.18 114.58 118.84 1kl5 h GLU 116 Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1kl5 h GLU 116 Cb 1.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1kl5 h GLU 116 CO 0.60 0.43 -0.08 0.00 -1.00 0.00 0.00 179.01 178.96 1kl5 h ALA 117 N 1.43 1.00 -0.47 3.43 0.00 -2.06 -3.07 119.26 119.52 1kl5 h ALA 117 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1kl5 h ALA 117 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kl5 h ALA 117 CO -0.26 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1kl5 n ASN 118 N -3.19 3.99 0.31 0.00 3.02 -0.85 -4.65 115.26 113.88 1kl5 n ASN 118 Ca 0.01 -2.43 0.17 0.00 -0.03 0.00 0.00 54.58 52.30 1kl5 n ASN 118 Cb 0.38 -0.46 1.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 2.95 1.39 0.00 5.41 0.00 -1.37 -2.43 119.26 125.21 1kl5 h ALA 119 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1kl5 h ALA 119 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kl5 h ALA 119 CO 0.15 -0.01 -0.13 0.11 0.00 0.00 0.00 179.25 179.37 1kl5 h TRP 120 N 0.00 0.00 -0.63 0.00 5.08 -1.87 -1.95 115.95 116.58 1kl5 h TRP 120 Ca 0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 1kl5 h TRP 120 Cb 0.02 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.08 1kl5 h TRP 120 CO 0.00 0.13 0.18 0.36 -1.28 0.00 0.00 178.44 177.83 1kl5 n LYS 121 N -3.52 3.62 0.08 0.12 2.85 -0.91 -4.58 118.16 115.81 1kl5 n LYS 121 Ca -0.01 -3.08 -0.09 0.00 -1.05 0.00 0.00 58.31 54.08 1kl5 n LYS 121 Cb 0.28 -2.15 -0.05 0.00 -0.65 0.00 0.00 35.03 32.46 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 2.58 0.20 -3.27 -5.58 4.64 -1.44 -3.46 113.55 107.21 1kl5 h SER 122 Ca 0.20 -0.18 -0.59 0.00 -0.47 0.00 0.00 61.79 60.75 1kl5 h SER 122 Cb 2.13 -0.06 -0.34 0.00 -0.31 0.00 0.00 62.40 63.82 1kl5 h SER 122 CO 0.62 1.04 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.90 1kl5 s THR 123 N -3.00 1.52 0.10 2.95 2.01 -1.26 -0.89 115.64 117.07 1kl5 s THR 123 Ca -0.02 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1kl5 s THR 123 Cb 0.10 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1kl5 s THR 123 CO 0.83 0.44 0.34 -0.76 -0.69 0.00 0.00 174.62 174.79 1kl5 s LEU 124 N 0.96 4.31 0.07 4.42 1.43 0.54 -4.91 118.68 125.49 1kl5 s LEU 124 Ca -0.07 0.59 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 1kl5 s LEU 124 Cb -0.15 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1kl5 s LEU 124 CO -0.01 0.12 -0.18 0.54 0.23 0.00 0.00 176.35 177.05 1kl5 s VAL 125 N -1.53 1.43 0.03 -1.59 0.11 -1.26 -1.22 120.40 116.37 1kl5 s VAL 125 Ca 0.36 -1.30 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1kl5 s VAL 125 Cb -0.13 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1kl5 s VAL 125 CO 0.22 -0.03 0.11 0.61 -3.33 0.00 0.00 175.10 172.68 1kl5 n GLY 126 N 1.46 1.45 3.08 6.54 0.00 -0.77 -5.01 105.19 111.95 1kl5 n GLY 126 Ca -0.19 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -6.48 -0.10 0.02 1.61 -3.43 -1.26 -1.10 115.29 104.54 1kl5 s HIS 127 Ca 0.02 0.24 0.03 0.00 -0.80 0.00 0.00 55.06 54.56 1kl5 s HIS 127 Cb -0.00 0.02 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1kl5 s HIS 127 CO 0.01 -0.17 -0.10 -0.51 -2.00 0.00 0.00 174.74 171.97 1kl5 s ASP 128 N -0.49 1.18 -0.13 7.38 1.01 -0.80 -4.96 116.67 119.86 1kl5 s ASP 128 Ca -0.06 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.89 1kl5 s ASP 128 Cb -0.04 -0.08 -0.00 0.00 1.01 0.00 0.00 42.92 43.81 1kl5 s ASP 128 CO 0.01 0.02 -0.18 -0.89 0.21 0.00 0.00 175.17 174.34 1kl5 s THR 129 N -0.63 2.50 -0.07 -1.27 2.01 -1.26 -1.16 115.64 115.76 1kl5 s THR 129 Ca 0.00 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1kl5 s THR 129 Cb -0.06 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1kl5 s THR 129 CO 0.00 0.53 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.05 1kl5 s PHE 130 N 0.61 2.97 0.18 4.92 0.40 0.26 -3.44 117.98 123.88 1kl5 s PHE 130 Ca -0.10 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1kl5 s PHE 130 Cb -0.16 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 1kl5 s PHE 130 CO 0.03 0.34 0.01 0.95 0.70 0.00 0.00 175.22 177.25 1kl5 s THR 131 N -0.78 0.65 -1.57 0.64 -4.23 -0.26 -1.10 115.64 108.99 1kl5 s THR 131 Ca 0.12 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1kl5 s THR 131 Cb -0.11 -2.17 0.45 0.00 1.34 0.00 0.00 72.50 72.01 1kl5 s THR 131 CO 0.02 -0.42 1.89 0.29 -0.54 0.00 0.00 174.62 175.85 1kl5 n LYS 132 N -0.26 0.60 -4.02 3.99 5.02 -1.26 -0.66 118.16 121.58 1kl5 n LYS 132 Ca -0.06 -0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 55.71 1kl5 n LYS 132 Cb 0.63 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 1kl5 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kl5 s VAL 133 N -2.52 4.78 0.10 -0.18 1.01 -1.26 -4.88 120.40 117.45 1kl5 s VAL 133 Ca 0.28 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1kl5 s VAL 133 Cb 0.20 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 1kl5 s VAL 133 CO 0.48 0.47 0.94 -0.75 0.00 0.00 0.00 175.10 176.23 1kl5 s LYS 134 N 0.34 4.67 0.39 2.72 2.20 -1.26 -4.73 119.74 124.07 1kl5 s LYS 134 Ca 0.03 1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 57.01 1kl5 s LYS 134 Cb -0.12 -3.38 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1kl5 s LYS 134 CO 0.00 0.22 0.53 -0.35 -0.36 0.00 0.00 175.35 175.40 1kl5 n PRO 135 N 2.80 -0.16 0.00 4.03 -0.05 -1.26 -5.15 135.00 135.20 1kl5 n PRO 135 Ca 0.02 -1.09 0.00 0.00 -0.05 0.00 0.00 63.50 62.38 1kl5 n PRO 135 Cb 0.49 -0.47 0.00 0.00 -0.05 0.00 0.00 33.50 33.47 1kl5 n PRO 135 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90