#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 1.27 -2.70 -0.61 2.04 -1.97 -3.43 117.51 112.10 1kl5 h ILE 17 Ca 0.00 -1.14 -0.52 0.00 1.00 0.00 0.00 64.86 64.20 1kl5 h ILE 17 Cb 0.00 1.11 0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1kl5 h ILE 17 CO 0.00 0.39 0.99 -0.89 0.00 0.00 0.00 178.15 178.64 1kl5 s THR 18 N -4.89 2.10 -5.00 -0.27 2.01 -1.26 -4.83 115.64 103.50 1kl5 s THR 18 Ca -0.12 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1kl5 s THR 18 Cb 0.11 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1kl5 s THR 18 CO 0.82 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1kl5 n GLY 19 N 3.90 -0.38 3.47 4.40 0.00 -0.43 -5.00 105.19 111.15 1kl5 n GLY 19 Ca 0.15 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.62 4.13 0.17 2.61 2.01 -1.26 -1.55 115.64 119.13 1kl5 s THR 20 Ca 0.00 -0.25 0.10 0.00 0.31 0.00 0.00 61.69 61.85 1kl5 s THR 20 Cb 0.00 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1kl5 s THR 20 CO 0.00 0.41 -0.21 0.26 -0.69 0.00 0.00 174.62 174.39 1kl5 s TRP 21 N 1.05 2.04 0.00 4.92 0.52 0.02 -4.56 118.94 122.94 1kl5 s TRP 21 Ca 0.03 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.77 1kl5 s TRP 21 Cb -0.14 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 1kl5 s TRP 21 CO 0.02 0.39 -0.11 0.71 0.02 0.00 0.00 176.95 177.98 1kl5 s TYR 22 N -1.74 0.98 0.70 -1.98 1.51 0.04 -0.49 117.35 116.37 1kl5 s TYR 22 Ca 0.17 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1kl5 s TYR 22 Cb -0.07 -0.62 0.13 0.00 -0.11 0.00 0.00 41.96 41.28 1kl5 s TYR 22 CO 0.08 -0.01 0.97 0.54 -1.11 0.00 0.00 175.55 176.01 1kl5 s ASN 23 N -0.45 4.43 0.54 2.29 4.22 -0.90 -1.51 114.94 123.56 1kl5 s ASN 23 Ca 0.03 -0.52 0.29 0.00 -2.14 0.00 0.00 52.86 50.53 1kl5 s ASN 23 Cb -0.05 0.15 1.52 0.00 1.28 0.00 0.00 41.25 44.15 1kl5 s ASN 23 CO -0.00 -1.81 2.09 0.06 -2.04 0.00 0.00 177.10 175.39 1kl5 h GLN 24 N -0.42 0.00 -0.03 3.55 -0.00 -1.91 -3.03 115.11 113.27 1kl5 h GLN 24 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1kl5 h GLN 24 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1kl5 h GLN 24 CO 0.39 0.10 0.00 1.28 -0.00 0.00 0.00 178.83 180.60 1kl5 n LEU 25 N -3.54 2.16 0.00 0.06 4.77 -1.26 -4.94 117.00 114.26 1kl5 n LEU 25 Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1kl5 n LEU 25 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1kl5 n LEU 25 CO 0.29 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1kl5 n GLY 26 N 1.25 0.61 3.86 -0.72 0.00 -1.15 -4.88 105.19 104.17 1kl5 n GLY 26 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.05 6.50 -0.07 1.61 0.01 -1.26 -4.18 113.70 114.26 1kl5 s SER 27 Ca 0.00 1.32 0.04 0.00 1.31 0.00 0.00 55.95 58.62 1kl5 s SER 27 Cb 0.00 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1kl5 s SER 27 CO 0.00 -0.55 -0.19 -0.89 0.41 0.00 0.00 173.24 172.02 1kl5 s THR 28 N -2.62 2.62 -0.26 1.44 2.01 0.26 -2.12 115.64 116.96 1kl5 s THR 28 Ca 0.54 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1kl5 s THR 28 Cb -0.10 -2.01 0.07 0.00 0.01 0.00 0.00 72.50 70.46 1kl5 s THR 28 CO 0.36 0.57 -0.05 0.12 -0.69 0.00 0.00 174.62 174.92 1kl5 s PHE 29 N -0.28 2.90 -0.28 4.92 5.36 0.36 0.08 117.98 131.04 1kl5 s PHE 29 Ca 0.01 -2.16 -0.11 0.00 -0.96 0.00 0.00 56.93 53.70 1kl5 s PHE 29 Cb -0.13 -1.92 -0.05 0.00 -0.34 0.00 0.00 43.02 40.58 1kl5 s PHE 29 CO 0.03 -0.85 0.20 0.42 -1.46 0.00 0.00 175.22 173.56 1kl5 s ILE 30 N 1.22 5.30 0.07 3.12 1.01 -0.18 -0.80 121.20 130.94 1kl5 s ILE 30 Ca -0.04 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1kl5 s ILE 30 Cb -0.19 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1kl5 s ILE 30 CO -0.07 0.24 -0.10 0.54 0.00 0.00 0.00 174.94 175.55 1kl5 s VAL 31 N 1.78 0.85 -0.12 2.92 0.11 -0.59 -1.40 120.40 123.95 1kl5 s VAL 31 Ca 0.07 -1.35 0.01 0.00 -2.93 0.00 0.00 61.98 57.78 1kl5 s VAL 31 Cb -0.16 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1kl5 s VAL 31 CO 0.11 -0.40 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.45 1kl5 s THR 32 N -1.75 1.44 -0.30 5.04 2.01 0.79 -1.32 115.64 121.55 1kl5 s THR 32 Ca -0.02 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 1kl5 s THR 32 Cb -0.07 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1kl5 s THR 32 CO 0.01 0.43 0.27 0.00 -0.69 0.00 0.00 174.62 174.64 1kl5 s ALA 33 N 1.20 3.52 0.45 7.40 0.00 -1.26 -2.13 121.76 130.94 1kl5 s ALA 33 Ca -0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 1kl5 s ALA 33 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1kl5 s ALA 33 CO -0.05 -0.77 0.68 0.20 0.00 0.00 0.00 175.76 175.82 1kl5 s GLY 34 N 1.72 1.54 0.58 0.00 0.00 -0.11 -4.88 107.32 106.19 1kl5 s GLY 34 Ca 0.09 -0.99 0.32 0.00 0.00 0.00 0.00 44.72 44.15 1kl5 s GLY 34 CO 0.11 -0.82 2.21 0.00 0.00 0.00 0.00 173.10 174.60 1kl5 h ALA 35 N 0.39 1.31 -0.04 3.20 0.00 -1.98 -2.15 119.26 119.99 1kl5 h ALA 35 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1kl5 h ALA 35 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kl5 h ALA 35 CO 0.58 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1kl5 n ASP 36 N -3.58 0.23 0.00 0.00 5.75 -1.26 -4.87 116.55 112.83 1kl5 n ASP 36 Ca -0.02 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1kl5 n ASP 36 Cb 0.14 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 0.68 0.57 3.85 6.12 0.00 -0.81 -5.03 105.19 110.57 1kl5 n GLY 37 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.03 3.56 -0.15 4.61 0.00 -1.25 -1.63 121.76 124.86 1kl5 s ALA 38 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1kl5 s ALA 38 Cb 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1kl5 s ALA 38 CO 0.00 0.46 -0.11 -0.51 0.00 0.00 0.00 175.76 175.60 1kl5 s LEU 39 N -2.24 2.78 0.05 0.00 1.43 -0.01 -0.93 118.68 119.75 1kl5 s LEU 39 Ca 0.41 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1kl5 s LEU 39 Cb -0.14 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1kl5 s LEU 39 CO 0.20 0.12 -0.09 0.42 0.23 0.00 0.00 176.35 177.22 1kl5 s THR 40 N 0.63 0.69 -3.08 5.49 -4.23 -0.91 -1.17 115.64 113.06 1kl5 s THR 40 Ca -0.06 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1kl5 s THR 40 Cb -0.15 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1kl5 s THR 40 CO 0.03 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1kl5 n GLY 41 N 1.53 -0.75 2.94 3.99 0.00 -0.96 -0.15 105.19 111.78 1kl5 n GLY 41 Ca -0.22 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 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 0.42 -0.11 2.61 2.01 -0.49 -1.64 115.64 115.43 1kl5 s THR 42 Ca 0.00 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1kl5 s THR 42 Cb 0.00 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1kl5 s THR 42 CO 0.00 0.14 0.04 -0.47 -0.69 0.00 0.00 174.62 173.63 1kl5 s TYR 43 N 0.13 3.26 -0.12 4.92 6.14 0.45 -1.02 117.35 131.12 1kl5 s TYR 43 Ca -0.01 0.22 -0.01 0.00 0.64 0.00 0.00 57.07 57.91 1kl5 s TYR 43 Cb -0.05 -1.87 0.03 0.00 0.42 0.00 0.00 41.96 40.49 1kl5 s TYR 43 CO -0.00 0.46 -0.02 0.42 0.64 0.00 0.00 175.55 177.04 1kl5 s ILE 44 N -0.68 0.67 1.05 3.14 1.01 0.11 -1.24 121.20 125.27 1kl5 s ILE 44 Ca 0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 1kl5 s ILE 44 Cb -0.12 -0.85 0.22 0.00 0.01 0.00 0.00 42.46 41.72 1kl5 s ILE 44 CO 0.02 0.19 1.11 -0.83 0.00 0.00 0.00 174.94 175.44 1kl5 s GLY 45 N 1.84 1.58 0.33 6.18 0.00 -0.67 -0.58 107.32 116.00 1kl5 s GLY 45 Ca 0.03 -0.61 0.08 0.00 0.00 0.00 0.00 44.72 44.22 1kl5 s GLY 45 CO -0.07 0.09 1.80 0.00 0.00 0.00 0.00 173.10 174.92 1kl5 h ALA 46 N -2.06 1.77 -0.47 3.20 0.00 -1.90 -1.59 119.26 118.21 1kl5 h ALA 46 Ca -0.51 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1kl5 h ALA 46 Cb 1.32 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1kl5 h ALA 46 CO 0.50 -0.11 0.16 -0.09 0.00 0.00 0.00 179.25 179.72 1kl5 h ARG 47 N 0.72 0.33 0.00 0.00 2.43 -1.90 -3.47 114.38 112.48 1kl5 h ARG 47 Ca 0.55 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1kl5 h ARG 47 Cb 0.91 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1kl5 h ARG 47 CO -0.32 0.22 0.00 0.41 -1.51 0.00 0.00 179.97 178.76 1kl5 n GLY 48 N -1.25 0.69 3.97 2.80 0.00 -0.60 -5.06 105.19 105.73 1kl5 n GLY 48 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1kl5 n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kl5 s ASN 49 N -2.25 4.16 0.34 1.61 -0.87 -1.26 -4.98 114.94 111.69 1kl5 s ASN 49 Ca 0.00 -0.08 0.08 0.00 -1.57 0.00 0.00 52.86 51.29 1kl5 s ASN 49 Cb 0.00 -0.29 0.63 0.00 -0.02 0.00 0.00 41.25 41.57 1kl5 s ASN 49 CO 0.00 -2.00 1.82 0.00 -2.57 0.00 0.00 177.10 174.35 1kl5 h ALA 50 N -0.78 1.33 0.00 0.60 0.00 -1.98 -2.28 119.26 116.14 1kl5 h ALA 50 Ca -0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1kl5 h ALA 50 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kl5 h ALA 50 CO 0.43 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.53 1kl5 n GLU 51 N -4.17 0.41 -0.22 0.00 4.71 -1.26 -2.77 120.64 117.34 1kl5 n GLU 51 Ca -0.01 0.05 0.09 0.00 -0.01 0.00 0.00 57.16 57.28 1kl5 n GLU 51 Cb 0.35 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.46 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 -1.11 2.56 -4.82 1.62 3.41 -0.86 -4.85 113.62 109.57 1kl5 n SER 52 Ca 0.11 -3.20 -0.36 0.00 -0.26 0.00 0.00 58.87 55.16 1kl5 n SER 52 Cb 0.09 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.93 3.74 0.02 4.33 0.52 -1.11 -1.66 118.95 121.85 1kl5 s ARG 53 Ca 0.35 -0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.38 1kl5 s ARG 53 Cb 0.31 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 1kl5 s ARG 53 CO 0.03 0.59 -0.00 0.71 0.02 0.00 0.00 175.30 176.64 1kl5 s TYR 54 N -0.48 0.20 0.23 -0.53 1.51 -0.38 -4.79 117.35 113.12 1kl5 s TYR 54 Ca 0.12 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1kl5 s TYR 54 Cb -0.12 -0.15 -0.09 0.00 -0.11 0.00 0.00 41.96 41.49 1kl5 s TYR 54 CO 0.02 -0.19 0.92 0.08 -1.11 0.00 0.00 175.55 175.27 1kl5 s VAL 55 N -1.31 4.12 0.05 0.71 1.01 -1.26 -0.41 120.40 123.31 1kl5 s VAL 55 Ca -0.14 2.05 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1kl5 s VAL 55 Cb -0.09 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1kl5 s VAL 55 CO -0.01 0.49 -0.23 -1.48 0.00 0.00 0.00 175.10 173.87 1kl5 s LEU 56 N -1.12 2.18 0.02 3.92 0.05 -0.65 -4.36 118.68 118.72 1kl5 s LEU 56 Ca 0.41 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 54.03 1kl5 s LEU 56 Cb -0.26 -1.11 -0.02 0.00 -2.05 0.00 0.00 46.19 42.75 1kl5 s LEU 56 CO 0.31 0.20 -0.04 0.28 -0.55 0.00 0.00 176.35 176.55 1kl5 s THR 57 N -0.82 0.21 0.00 5.48 -1.32 -1.02 -2.27 115.64 115.89 1kl5 s THR 57 Ca 0.10 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1kl5 s THR 57 Cb -0.09 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1kl5 s THR 57 CO 0.02 -0.39 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 1kl5 n GLY 58 N 1.80 1.83 3.19 6.08 0.00 -0.32 -0.85 105.19 116.92 1kl5 n GLY 58 Ca -0.22 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.59 0.86 0.12 1.61 1.81 -0.39 -0.83 118.95 121.53 1kl5 s ARG 59 Ca 0.00 -1.13 -0.15 0.00 -1.72 0.00 0.00 55.73 52.73 1kl5 s ARG 59 Cb 0.00 0.30 0.03 0.00 -0.45 0.00 0.00 34.95 34.83 1kl5 s ARG 59 CO 0.00 -0.26 0.36 1.52 -0.68 0.00 0.00 175.30 176.25 1kl5 s TYR 60 N -3.92 -0.14 -0.44 -0.53 1.13 -0.65 -1.58 117.35 111.23 1kl5 s TYR 60 Ca 0.10 -0.20 -0.28 0.00 -1.41 0.00 0.00 57.07 55.28 1kl5 s TYR 60 Cb 0.06 0.20 -0.00 0.00 -1.10 0.00 0.00 41.96 41.12 1kl5 s TYR 60 CO -0.07 -0.67 1.57 0.34 -2.51 0.00 0.00 175.55 174.21 1kl5 s ASP 61 N -2.82 6.04 0.00 -0.18 -1.08 -0.41 -4.62 116.67 113.61 1kl5 s ASP 61 Ca 0.03 0.80 0.30 0.00 -0.52 0.00 0.00 52.55 53.16 1kl5 s ASP 61 Cb 0.02 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.45 1kl5 s ASP 61 CO -0.12 -1.68 2.00 -1.54 0.52 0.00 0.00 175.17 174.35 1kl5 n SER 62 N 9.84 0.71 -3.23 -0.34 3.41 -1.26 -4.13 113.62 118.62 1kl5 n SER 62 Ca 0.18 -1.23 -0.24 0.00 -0.26 0.00 0.00 58.87 57.32 1kl5 n SER 62 Cb 0.48 -0.00 -0.07 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 -0.45 2.84 -1.24 7.33 0.00 -1.26 -5.05 120.51 122.68 1kl5 n ALA 63 Ca 0.22 -3.76 -0.30 0.00 0.00 0.00 0.00 53.44 49.60 1kl5 n ALA 63 Cb 0.23 -0.84 0.14 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.69 1.29 0.72 0.00 0.04 -1.26 -5.00 135.00 129.11 1kl5 s PRO 64 Ca 0.37 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 1kl5 s PRO 64 Cb 0.19 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.95 1kl5 s PRO 64 CO -0.09 -2.21 1.24 0.00 0.04 0.00 0.00 177.00 175.99 1kl5 s ALA 65 N -2.96 2.12 -0.32 8.56 0.00 -1.26 -4.96 121.76 122.94 1kl5 s ALA 65 Ca 0.63 1.01 0.09 0.00 0.00 0.00 0.00 51.96 53.69 1kl5 s ALA 65 Cb -0.18 -3.51 0.60 0.00 0.00 0.00 0.00 23.12 20.04 1kl5 s ALA 65 CO 0.57 -1.92 1.65 0.25 0.00 0.00 0.00 175.76 176.31 1kl5 n THR 66 N -2.60 2.76 -0.54 0.00 -2.24 -1.26 -4.55 114.28 105.85 1kl5 n THR 66 Ca 0.14 -2.17 0.08 0.00 -2.27 0.00 0.00 64.05 59.83 1kl5 n THR 66 Cb 0.49 -0.36 0.35 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.83 4.78 0.00 3.42 5.68 -1.26 -4.89 116.55 123.45 1kl5 n ASP 67 Ca 0.40 -2.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1kl5 n ASP 67 Cb 1.25 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 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 0.90 0.53 3.77 6.12 0.00 -1.26 -5.07 105.19 110.18 1kl5 n GLY 68 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.50 5.22 1.04 1.61 0.01 -1.26 -5.05 113.70 112.78 1kl5 s SER 69 Ca 0.00 1.99 -0.17 0.00 1.31 0.00 0.00 55.95 59.08 1kl5 s SER 69 Cb 0.00 -2.55 0.23 0.00 0.21 0.00 0.00 66.02 63.91 1kl5 s SER 69 CO 0.00 -1.56 1.27 -0.83 0.41 0.00 0.00 173.24 172.53 1kl5 s GLY 70 N -2.55 1.73 -0.29 3.44 0.00 -1.26 -4.81 107.32 103.59 1kl5 s GLY 70 Ca 0.67 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 1kl5 s GLY 70 CO 0.40 -0.34 0.09 -1.59 0.00 0.00 0.00 173.10 171.66 1kl5 s THR 71 N -3.65 4.13 0.43 0.90 2.01 -0.30 -4.77 115.64 114.39 1kl5 s THR 71 Ca 0.74 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1kl5 s THR 71 Cb -0.05 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 1kl5 s THR 71 CO 0.54 0.12 1.20 0.00 -0.69 0.00 0.00 174.62 175.79 1kl5 s ALA 72 N 1.54 3.08 0.24 7.40 0.00 -1.26 -1.00 121.76 131.76 1kl5 s ALA 72 Ca 0.04 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1kl5 s ALA 72 Cb -0.17 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.58 1kl5 s ALA 72 CO 0.03 -0.67 0.73 -0.48 0.00 0.00 0.00 175.76 175.37 1kl5 s LEU 73 N -2.74 -0.31 0.12 0.00 0.05 -0.24 -1.29 118.68 114.27 1kl5 s LEU 73 Ca 0.60 -0.47 -0.23 0.00 0.05 0.00 0.00 54.13 54.08 1kl5 s LEU 73 Cb -0.32 2.64 0.06 0.00 -2.05 0.00 0.00 46.19 46.53 1kl5 s LEU 73 CO 0.39 -1.22 0.58 -0.83 -0.55 0.00 0.00 176.35 174.72 1kl5 s GLY 74 N -2.88 -0.56 0.20 -3.48 0.00 -0.61 -1.74 107.32 98.24 1kl5 s GLY 74 Ca 0.09 0.54 -0.15 0.00 0.00 0.00 0.00 44.72 45.20 1kl5 s GLY 74 CO 0.03 0.22 0.47 0.66 0.00 0.00 0.00 173.10 174.47 1kl5 s TRP 75 N -3.35 0.09 -0.00 1.90 -2.14 -0.71 -1.27 118.94 113.46 1kl5 s TRP 75 Ca -0.01 -0.45 0.04 0.00 2.66 0.00 0.00 56.10 58.34 1kl5 s TRP 75 Cb -0.01 0.27 -0.01 0.00 -3.10 0.00 0.00 33.47 30.62 1kl5 s TRP 75 CO -0.09 -0.91 -0.12 0.99 -2.66 0.00 0.00 176.95 174.16 1kl5 s THR 76 N -3.93 0.96 -0.10 0.66 2.01 -0.03 -1.19 115.64 114.02 1kl5 s THR 76 Ca 0.14 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1kl5 s THR 76 Cb -0.00 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.69 1kl5 s THR 76 CO 0.01 0.21 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.25 1kl5 s VAL 77 N -0.39 1.87 -0.12 3.82 1.01 -0.01 -2.44 120.40 124.15 1kl5 s VAL 77 Ca 0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1kl5 s VAL 77 Cb -0.05 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1kl5 s VAL 77 CO -0.00 0.52 0.47 0.00 0.00 0.00 0.00 175.10 176.08 1kl5 s ALA 78 N 0.55 3.49 -0.17 5.51 0.00 -1.26 -0.47 121.76 129.40 1kl5 s ALA 78 Ca -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1kl5 s ALA 78 Cb -0.17 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.23 1kl5 s ALA 78 CO 0.05 0.02 3.02 0.91 0.00 0.00 0.00 175.76 179.76 1kl5 n TRP 79 N 3.61 0.63 -4.97 0.00 7.02 -0.26 -4.77 117.44 118.69 1kl5 n TRP 79 Ca -0.07 -1.62 -0.29 0.00 -1.02 0.00 0.00 57.50 54.50 1kl5 n TRP 79 Cb 0.52 -1.34 -0.17 0.00 -2.42 0.00 0.00 31.31 27.90 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 -0.21 2.35 0.00 -0.99 2.20 -1.26 -1.02 119.74 120.81 1kl5 s LYS 80 Ca 0.53 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1kl5 s LYS 80 Cb 0.29 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.73 1kl5 s LYS 80 CO -0.07 0.18 0.00 0.27 -0.36 0.00 0.00 175.35 175.37 1kl5 n ASN 81 N 3.45 0.61 0.04 1.43 0.23 -0.15 -4.82 115.26 116.04 1kl5 n ASN 81 Ca -0.20 -0.23 0.12 0.00 -0.53 0.00 0.00 54.58 53.74 1kl5 n ASN 81 Cb 0.52 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.70 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 -0.54 0.24 -0.04 0.53 3.02 -1.26 -3.51 115.26 113.69 1kl5 n ASN 82 Ca 0.00 0.54 -0.02 0.00 -0.03 0.00 0.00 54.58 55.07 1kl5 n ASN 82 Cb 0.00 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.48 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 -1.74 0.00 -3.74 3.10 4.01 -1.26 -5.07 117.16 112.46 1kl5 n TYR 83 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 1kl5 n TYR 83 Cb 0.29 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.51 1.61 -0.17 -0.72 1.70 -1.23 -5.14 118.95 112.50 1kl5 s ARG 84 Ca -0.06 -0.83 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1kl5 s ARG 84 Cb 0.05 0.59 0.08 0.00 -0.57 0.00 0.00 34.95 35.10 1kl5 s ARG 84 CO 0.52 -0.73 0.27 1.21 -1.08 0.00 0.00 175.30 175.48 1kl5 s ASN 85 N -2.87 0.61 0.00 -2.89 3.84 -1.26 -0.98 114.94 111.39 1kl5 s ASN 85 Ca 0.09 0.33 0.22 0.00 0.21 0.00 0.00 52.86 53.71 1kl5 s ASN 85 Cb -0.04 0.68 0.50 0.00 -0.55 0.00 0.00 41.25 41.84 1kl5 s ASN 85 CO 0.02 -0.27 1.44 0.00 -2.79 0.00 0.00 177.10 175.49 1kl5 n ALA 86 N 5.34 2.44 -3.73 1.71 0.00 -0.19 -4.97 120.51 121.12 1kl5 n ALA 86 Ca -0.06 -0.87 -0.23 0.00 0.00 0.00 0.00 53.44 52.28 1kl5 n ALA 86 Cb 0.50 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 1.19 -1.88 -3.79 0.00 8.25 -1.26 -4.87 115.22 112.86 1kl5 n HIS 87 Ca 0.18 0.78 -0.07 0.00 -0.26 0.00 0.00 57.72 58.35 1kl5 n HIS 87 Cb 0.53 -4.16 -0.02 0.00 1.12 0.00 0.00 29.99 27.47 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 -4.23 -0.29 -0.01 0.41 1.04 -1.26 -1.32 113.70 108.04 1kl5 s SER 88 Ca 0.07 -0.50 -0.08 0.00 0.48 0.00 0.00 55.95 55.92 1kl5 s SER 88 Cb -0.02 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1kl5 s SER 88 CO 0.83 -1.24 0.17 0.00 0.98 0.00 0.00 173.24 173.98 1kl5 s ALA 89 N -3.81 -0.40 -0.03 5.32 0.00 0.25 -1.10 121.76 121.99 1kl5 s ALA 89 Ca 0.10 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1kl5 s ALA 89 Cb -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1kl5 s ALA 89 CO 0.04 -0.19 -0.26 0.99 0.00 0.00 0.00 175.76 176.34 1kl5 s THR 90 N -1.11 2.04 -0.05 0.00 2.01 0.38 -1.41 115.64 117.50 1kl5 s THR 90 Ca -0.12 -1.09 0.06 0.00 0.31 0.00 0.00 61.69 60.85 1kl5 s THR 90 Cb -0.06 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1kl5 s THR 90 CO 0.02 0.57 -0.22 0.42 -0.69 0.00 0.00 174.62 174.72 1kl5 s THR 91 N -0.50 2.40 -0.15 -0.82 -4.23 -0.45 -0.83 115.64 111.07 1kl5 s THR 91 Ca 0.07 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1kl5 s THR 91 Cb -0.11 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1kl5 s THR 91 CO 0.00 0.58 -0.10 0.26 -0.54 0.00 0.00 174.62 174.82 1kl5 s TRP 92 N -0.44 2.87 -0.10 3.99 0.51 -0.33 -1.08 118.94 124.35 1kl5 s TRP 92 Ca 0.05 -0.67 0.04 0.00 -2.12 0.00 0.00 56.10 53.39 1kl5 s TRP 92 Cb -0.12 -1.91 0.00 0.00 -0.81 0.00 0.00 33.47 30.63 1kl5 s TRP 92 CO 0.01 -0.26 -0.24 0.45 -0.51 0.00 0.00 176.95 176.40 1kl5 s SER 93 N 0.58 3.06 0.00 2.95 0.15 0.30 -1.74 113.70 119.00 1kl5 s SER 93 Ca -0.06 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1kl5 s SER 93 Cb -0.15 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1kl5 s SER 93 CO 0.03 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1kl5 n GLY 94 N 3.54 0.99 3.05 9.45 0.00 -0.71 -0.91 105.19 120.60 1kl5 n GLY 94 Ca -0.19 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 1.16 0.42 -0.09 1.61 -2.07 -0.81 -1.08 119.66 118.80 1kl5 s GLN 95 Ca 0.00 -0.55 -0.15 0.00 -1.82 0.00 0.00 55.36 52.84 1kl5 s GLN 95 Cb 0.00 0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1kl5 s GLN 95 CO 0.00 -0.09 0.38 -0.47 -1.32 0.00 0.00 175.29 173.79 1kl5 s TYR 96 N -1.61 3.58 -0.24 9.60 5.04 -0.17 -1.27 117.35 132.27 1kl5 s TYR 96 Ca -0.14 0.81 0.02 0.00 -2.44 0.00 0.00 57.07 55.33 1kl5 s TYR 96 Cb -0.08 -2.36 0.05 0.00 0.35 0.00 0.00 41.96 39.92 1kl5 s TYR 96 CO -0.00 0.38 -0.13 0.08 -1.34 0.00 0.00 175.55 174.54 1kl5 s VAL 97 N -0.10 2.11 0.42 3.14 1.01 0.45 -1.16 120.40 126.27 1kl5 s VAL 97 Ca 0.22 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 1kl5 s VAL 97 Cb -0.15 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.17 1kl5 s VAL 97 CO 0.09 0.10 0.58 0.61 0.00 0.00 0.00 175.10 176.48 1kl5 n GLY 98 N 4.49 -0.34 0.00 4.51 0.00 -1.26 -1.46 105.19 111.13 1kl5 n GLY 98 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.95 -0.09 3.62 -0.02 0.00 -1.26 -4.70 105.19 103.69 1kl5 n GLY 99 Ca 0.08 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1kl5 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl5 s ALA 100 N -2.00 3.23 0.00 4.61 0.00 -1.26 -2.99 121.76 123.35 1kl5 s ALA 100 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1kl5 s ALA 100 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1kl5 s ALA 100 CO 0.00 -2.04 0.00 0.39 0.00 0.00 0.00 175.76 174.11 1kl5 n GLU 101 N 7.65 0.00 -1.61 0.00 -0.58 -1.26 -4.99 120.64 119.85 1kl5 n GLU 101 Ca 0.16 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.42 1kl5 n GLU 101 Cb 0.47 -1.91 -0.04 0.00 -0.57 0.00 0.00 31.44 29.39 1kl5 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kl5 n ALA 102 N -0.77 -0.21 -2.35 0.62 0.00 -1.16 -4.95 120.51 111.69 1kl5 n ALA 102 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 1kl5 n ALA 102 Cb 0.38 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 1kl5 n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1kl5 s ARG 103 N -0.23 0.68 -0.18 0.00 1.70 -0.54 -4.26 118.95 116.12 1kl5 s ARG 103 Ca 0.73 -1.13 0.01 0.00 -0.47 0.00 0.00 55.73 54.87 1kl5 s ARG 103 Cb -0.80 -0.09 0.02 0.00 -0.57 0.00 0.00 34.95 33.51 1kl5 s ARG 103 CO 0.50 -0.03 -0.18 0.42 -1.08 0.00 0.00 175.30 174.93 1kl5 s ILE 104 N -3.08 1.98 -0.24 4.99 1.01 -0.58 -0.42 121.20 124.87 1kl5 s ILE 104 Ca 0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1kl5 s ILE 104 Cb 0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1kl5 s ILE 104 CO -0.05 0.47 0.12 0.20 0.00 0.00 0.00 174.94 175.69 1kl5 s ASN 105 N 1.31 5.77 0.15 3.58 0.02 -0.39 -0.18 114.94 125.20 1kl5 s ASN 105 Ca 0.04 0.01 0.02 0.00 -1.02 0.00 0.00 52.86 51.91 1kl5 s ASN 105 Cb -0.14 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 39.05 1kl5 s ASN 105 CO -0.12 0.05 -0.02 0.42 0.02 0.00 0.00 177.10 177.45 1kl5 s THR 106 N 1.15 0.66 0.07 1.60 -4.23 -0.01 -1.93 115.64 112.95 1kl5 s THR 106 Ca 0.06 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1kl5 s THR 106 Cb -0.14 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1kl5 s THR 106 CO 0.05 -0.60 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.17 1kl5 s GLN 107 N -3.90 1.71 0.13 3.99 -0.21 -0.09 -1.86 119.66 119.43 1kl5 s GLN 107 Ca 0.20 -1.17 0.07 0.00 0.02 0.00 0.00 55.36 54.48 1kl5 s GLN 107 Cb 0.06 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1kl5 s GLN 107 CO 0.01 0.50 -0.17 1.67 -2.12 0.00 0.00 175.29 175.17 1kl5 s TRP 108 N -0.90 1.63 -0.13 0.91 1.48 -0.35 -0.54 118.94 121.04 1kl5 s TRP 108 Ca 0.13 -0.48 0.01 0.00 -1.06 0.00 0.00 56.10 54.70 1kl5 s TRP 108 Cb -0.10 -0.85 0.02 0.00 -1.16 0.00 0.00 33.47 31.38 1kl5 s TRP 108 CO 0.04 0.22 -0.15 -0.51 -4.06 0.00 0.00 176.95 172.49 1kl5 s LEU 109 N -2.33 1.71 -0.28 -4.66 1.43 -0.24 -2.21 118.68 112.09 1kl5 s LEU 109 Ca 0.10 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1kl5 s LEU 109 Cb -0.07 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1kl5 s LEU 109 CO 0.05 -0.02 0.01 -0.22 0.23 0.00 0.00 176.35 176.39 1kl5 s LEU 110 N 1.25 3.60 -0.09 1.79 0.20 -0.11 -1.34 118.68 123.98 1kl5 s LEU 110 Ca -0.00 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 53.93 1kl5 s LEU 110 Cb -0.14 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1kl5 s LEU 110 CO -0.06 -0.18 -0.08 -0.89 -0.29 0.00 0.00 176.35 174.84 1kl5 s THR 111 N 1.38 3.55 0.09 3.68 2.01 -0.50 -0.84 115.64 125.02 1kl5 s THR 111 Ca 0.00 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.58 1kl5 s THR 111 Cb -0.17 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1kl5 s THR 111 CO -0.01 0.57 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.80 1kl5 s SER 112 N -0.41 3.39 0.06 3.53 0.01 -0.28 -0.58 113.70 119.42 1kl5 s SER 112 Ca 0.06 -0.65 -0.31 0.00 1.31 0.00 0.00 55.95 56.36 1kl5 s SER 112 Cb -0.12 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.73 1kl5 s SER 112 CO 0.02 0.21 1.31 -0.83 0.41 0.00 0.00 173.24 174.36 1kl5 s GLY 113 N -1.77 2.11 0.19 3.44 0.00 -0.43 -4.83 107.32 106.03 1kl5 s GLY 113 Ca 0.14 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1kl5 s GLY 113 CO 0.05 2.26 0.05 -0.51 0.00 0.00 0.00 173.10 174.95 1kl5 s THR 114 N 1.42 0.47 0.84 0.90 -4.23 -1.26 -5.02 115.64 108.77 1kl5 s THR 114 Ca 0.62 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1kl5 s THR 114 Cb -0.32 -2.26 0.09 0.00 1.34 0.00 0.00 72.50 71.35 1kl5 s THR 114 CO 0.29 -0.32 1.10 0.42 -0.54 0.00 0.00 174.62 175.56 1kl5 s THR 115 N -3.80 2.87 0.34 3.99 -4.23 -1.26 -4.87 115.64 108.68 1kl5 s THR 115 Ca 0.29 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 61.11 1kl5 s THR 115 Cb 0.07 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 71.26 1kl5 s THR 115 CO 0.07 -0.37 1.97 -0.33 -0.54 0.00 0.00 174.62 175.41 1kl5 h GLU 116 N -1.28 0.83 0.00 3.99 5.08 -2.01 -1.87 114.58 119.32 1kl5 h GLU 116 Ca -0.48 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1kl5 h GLU 116 Cb 1.28 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1kl5 h GLU 116 CO 0.58 0.55 -0.12 0.00 -1.00 0.00 0.00 179.01 179.02 1kl5 h ALA 117 N 1.58 1.38 -0.43 3.43 0.00 -2.07 -2.46 119.26 120.70 1kl5 h ALA 117 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kl5 h ALA 117 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kl5 h ALA 117 CO -0.09 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1kl5 n ASN 118 N -3.78 3.20 -0.36 0.00 3.02 -0.75 -4.58 115.26 112.01 1kl5 n ASN 118 Ca -0.02 -1.94 -0.03 0.00 -0.03 0.00 0.00 54.58 52.56 1kl5 n ASN 118 Cb 0.22 -0.28 0.10 0.00 -0.61 0.00 0.00 39.78 39.21 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 3.05 1.24 -0.18 5.41 0.00 -0.95 -2.51 119.26 125.32 1kl5 h ALA 119 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1kl5 h ALA 119 Cb 0.82 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1kl5 h ALA 119 CO 0.00 0.67 0.35 2.35 0.00 0.00 0.00 179.25 182.62 1kl5 h TRP 120 N 1.33 0.00 -0.55 0.00 2.91 -1.81 0.10 115.95 117.94 1kl5 h TRP 120 Ca 0.35 0.00 -0.30 0.00 1.13 0.00 0.00 58.89 60.07 1kl5 h TRP 120 Cb -0.09 0.00 -0.18 0.00 -0.51 0.00 0.00 29.16 28.38 1kl5 h TRP 120 CO 0.00 0.00 0.07 0.36 -1.03 0.00 0.00 178.44 177.84 1kl5 n LYS 121 N -3.32 2.08 0.10 2.65 2.85 -0.94 -4.78 118.16 116.81 1kl5 n LYS 121 Ca 0.02 -3.24 0.12 0.00 -1.05 0.00 0.00 58.31 54.16 1kl5 n LYS 121 Cb 0.46 -1.95 0.04 0.00 -0.65 0.00 0.00 35.03 32.93 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 1.14 0.00 -3.09 -5.58 4.64 -0.86 -3.47 113.55 106.33 1kl5 h SER 122 Ca 0.34 -0.05 -0.64 0.00 -0.47 0.00 0.00 61.79 60.97 1kl5 h SER 122 Cb 1.83 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.57 1kl5 h SER 122 CO 0.63 0.02 -0.85 -0.89 -0.87 0.00 0.00 176.83 174.88 1kl5 s THR 123 N -3.32 1.87 0.11 2.95 2.01 -1.26 -1.13 115.64 116.87 1kl5 s THR 123 Ca 0.01 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 1kl5 s THR 123 Cb 0.10 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1kl5 s THR 123 CO 0.77 0.51 0.34 -0.76 -0.69 0.00 0.00 174.62 174.79 1kl5 s LEU 124 N 1.33 4.30 0.03 4.42 1.43 -0.02 -4.92 118.68 125.26 1kl5 s LEU 124 Ca 0.04 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.78 1kl5 s LEU 124 Cb -0.13 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 1kl5 s LEU 124 CO -0.11 0.11 -0.20 0.54 0.23 0.00 0.00 176.35 176.92 1kl5 s VAL 125 N -1.56 1.59 0.00 -1.59 0.11 -1.26 -0.94 120.40 116.75 1kl5 s VAL 125 Ca 0.37 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1kl5 s VAL 125 Cb -0.13 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1kl5 s VAL 125 CO 0.23 0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1kl5 n GLY 126 N 1.96 2.13 3.10 6.54 0.00 -0.94 -5.00 105.19 112.98 1kl5 n GLY 126 Ca -0.17 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.66 0.01 0.01 1.61 -3.43 -1.26 -1.21 115.29 106.36 1kl5 s HIS 127 Ca 0.00 -0.06 0.02 0.00 -0.80 0.00 0.00 55.06 54.22 1kl5 s HIS 127 Cb 0.00 -0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.11 1kl5 s HIS 127 CO 0.00 -0.26 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.91 1kl5 s ASP 128 N -1.20 0.68 -0.09 7.38 1.01 -0.78 -4.95 116.67 118.72 1kl5 s ASP 128 Ca -0.13 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 52.93 1kl5 s ASP 128 Cb -0.07 -0.03 -0.00 0.00 1.01 0.00 0.00 42.92 43.83 1kl5 s ASP 128 CO 0.01 -0.02 -0.24 -0.89 0.21 0.00 0.00 175.17 174.24 1kl5 s THR 129 N -0.53 2.09 -0.10 -1.27 2.01 -1.26 -0.83 115.64 115.75 1kl5 s THR 129 Ca -0.02 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 1kl5 s THR 129 Cb -0.05 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1kl5 s THR 129 CO -0.00 0.56 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.11 1kl5 s PHE 130 N 0.27 3.07 0.22 4.92 0.40 0.75 -3.41 117.98 124.19 1kl5 s PHE 130 Ca -0.16 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 1kl5 s PHE 130 Cb -0.17 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 1kl5 s PHE 130 CO 0.08 0.31 -0.02 0.95 0.70 0.00 0.00 175.22 177.24 1kl5 s THR 131 N -0.55 1.07 -1.65 0.64 -4.23 -0.57 -1.53 115.64 108.82 1kl5 s THR 131 Ca 0.09 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 58.84 1kl5 s THR 131 Cb -0.12 -2.25 0.43 0.00 1.34 0.00 0.00 72.50 71.90 1kl5 s THR 131 CO 0.02 -0.40 1.82 0.29 -0.54 0.00 0.00 174.62 175.81 1kl5 n LYS 132 N -0.38 0.69 -4.53 3.99 5.02 -1.26 -0.78 118.16 120.91 1kl5 n LYS 132 Ca -0.06 -0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 55.64 1kl5 n LYS 132 Cb 0.63 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.49 3.58 -2.00 -0.18 1.01 -1.26 -4.87 120.40 114.20 1kl5 s VAL 133 Ca 0.28 -0.47 0.27 0.00 0.00 0.00 0.00 61.98 62.06 1kl5 s VAL 133 Cb 0.20 -2.55 0.76 0.00 0.00 0.00 0.00 36.38 34.79 1kl5 s VAL 133 CO 0.48 0.50 1.95 1.17 0.00 0.00 0.00 175.10 179.20