#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl3 n GLY 16 N 0.00 1.56 0.10 0.00 0.00 -1.26 -4.96 105.19 100.63 1kl3 n GLY 16 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1kl3 n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kl3 h ILE 17 N 0.00 1.47 -2.61 -0.61 2.04 -1.98 -3.46 117.51 112.36 1kl3 h ILE 17 Ca 0.00 -3.08 -0.56 0.00 1.00 0.00 0.00 64.86 62.21 1kl3 h ILE 17 Cb 0.00 2.89 0.07 0.00 -0.74 0.00 0.00 36.82 39.04 1kl3 h ILE 17 CO 0.00 0.89 0.80 0.41 0.00 0.00 0.00 178.15 180.25 1kl3 n THR 18 N -3.47 0.42 0.00 -0.27 -1.04 -1.26 -4.78 114.28 103.88 1kl3 n THR 18 Ca -0.08 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1kl3 n THR 18 Cb 1.01 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1kl3 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kl3 n GLY 19 N 2.97 0.92 3.53 3.41 0.00 -0.40 -5.01 105.19 110.61 1kl3 n GLY 19 Ca 0.14 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1kl3 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl3 s THR 20 N -2.85 3.70 0.11 2.61 2.01 -1.26 -1.62 115.64 118.34 1kl3 s THR 20 Ca 0.00 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1kl3 s THR 20 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1kl3 s THR 20 CO 0.00 0.56 -0.16 0.26 -0.69 0.00 0.00 174.62 174.59 1kl3 s TRP 21 N -0.29 1.46 0.01 4.92 0.52 0.23 -4.64 118.94 121.15 1kl3 s TRP 21 Ca 0.04 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 55.71 1kl3 s TRP 21 Cb -0.13 -0.78 -0.01 0.00 -1.15 0.00 0.00 33.47 31.40 1kl3 s TRP 21 CO 0.02 0.15 -0.14 0.71 0.02 0.00 0.00 176.95 177.71 1kl3 s TYR 22 N -1.76 1.25 0.59 -1.98 2.02 0.04 -0.68 117.35 116.83 1kl3 s TYR 22 Ca 0.06 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1kl3 s TYR 22 Cb -0.07 -0.78 0.08 0.00 -0.40 0.00 0.00 41.96 40.79 1kl3 s TYR 22 CO 0.03 0.00 0.70 0.54 -1.57 0.00 0.00 175.55 175.25 1kl3 s ASN 23 N -0.63 4.88 0.03 2.29 4.22 -0.83 -1.44 114.94 123.46 1kl3 s ASN 23 Ca 0.04 -1.04 0.28 0.00 -2.14 0.00 0.00 52.86 50.00 1kl3 s ASN 23 Cb -0.06 0.50 1.16 0.00 1.28 0.00 0.00 41.25 44.12 1kl3 s ASN 23 CO 0.00 -1.36 1.89 0.00 -2.04 0.00 0.00 177.10 175.60 1kl3 n GLN 24 N -2.15 0.04 0.00 3.55 10.64 -1.26 -2.99 117.38 125.21 1kl3 n GLN 24 Ca 0.11 0.03 0.13 0.00 -1.83 0.00 0.00 57.00 55.44 1kl3 n GLN 24 Cb 0.63 -1.54 0.38 0.00 -0.86 0.00 0.00 30.24 28.84 1kl3 n GLN 24 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1kl3 n LEU 25 N -1.61 0.54 0.00 2.61 4.77 -1.26 -4.94 117.00 117.11 1kl3 n LEU 25 Ca 0.07 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1kl3 n LEU 25 Cb 0.35 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1kl3 n LEU 25 CO 0.28 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1kl3 n GLY 26 N 1.43 0.91 3.91 -0.72 0.00 -1.16 -4.84 105.19 104.72 1kl3 n GLY 26 Ca 0.08 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1kl3 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl3 s SER 27 N -2.11 6.37 -0.03 1.61 0.01 -1.26 -3.76 113.70 114.52 1kl3 s SER 27 Ca 0.00 0.77 0.04 0.00 1.31 0.00 0.00 55.95 58.07 1kl3 s SER 27 Cb 0.00 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.05 1kl3 s SER 27 CO 0.00 -0.36 -0.14 -0.89 0.41 0.00 0.00 173.24 172.27 1kl3 s THR 28 N -2.37 1.12 0.01 1.44 2.01 -0.16 -1.97 115.64 115.72 1kl3 s THR 28 Ca 0.45 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1kl3 s THR 28 Cb -0.10 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1kl3 s THR 28 CO 0.36 0.33 -0.09 0.72 -0.69 0.00 0.00 174.62 175.24 1kl3 s PHE 29 N -0.00 0.82 -0.20 4.92 -0.12 0.14 -0.19 117.98 123.36 1kl3 s PHE 29 Ca -0.01 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1kl3 s PHE 29 Cb -0.09 -0.52 0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1kl3 s PHE 29 CO 0.01 -0.01 -0.16 0.42 -0.05 0.00 0.00 175.22 175.43 1kl3 s ILE 30 N -0.42 2.34 0.05 -4.49 1.09 -0.00 -0.60 121.20 119.17 1kl3 s ILE 30 Ca 0.02 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.67 1kl3 s ILE 30 Cb -0.05 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 1kl3 s ILE 30 CO -0.00 0.44 -0.13 0.54 -0.10 0.00 0.00 174.94 175.69 1kl3 s VAL 31 N 1.30 1.03 -0.13 2.92 0.11 -0.64 -0.89 120.40 124.10 1kl3 s VAL 31 Ca 0.03 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.96 1kl3 s VAL 31 Cb -0.14 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1kl3 s VAL 31 CO -0.10 -0.15 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.47 1kl3 s THR 32 N -1.10 2.73 -0.26 5.04 2.01 0.14 -1.27 115.64 122.92 1kl3 s THR 32 Ca -0.01 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1kl3 s THR 32 Cb -0.09 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1kl3 s THR 32 CO 0.02 0.53 0.38 0.00 -0.69 0.00 0.00 174.62 174.85 1kl3 s ALA 33 N 0.50 3.57 0.46 7.40 0.00 -1.26 -2.32 121.76 130.11 1kl3 s ALA 33 Ca -0.11 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 1kl3 s ALA 33 Cb -0.16 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1kl3 s ALA 33 CO 0.05 -0.61 0.80 0.20 0.00 0.00 0.00 175.76 176.19 1kl3 s GLY 34 N 1.56 1.69 0.37 0.00 0.00 0.14 -4.89 107.32 106.19 1kl3 s GLY 34 Ca 0.16 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.59 1kl3 s GLY 34 CO 0.10 -0.17 1.93 0.00 0.00 0.00 0.00 173.10 174.96 1kl3 h ALA 35 N 0.60 1.49 0.00 3.20 0.00 -1.98 -2.78 119.26 119.79 1kl3 h ALA 35 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1kl3 h ALA 35 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kl3 h ALA 35 CO 0.63 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 1kl3 n ASP 36 N -4.33 0.00 0.00 0.00 5.75 -1.26 -4.89 116.55 111.82 1kl3 n ASP 36 Ca 0.01 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1kl3 n ASP 36 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1kl3 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kl3 n GLY 37 N 0.54 0.57 3.80 6.12 0.00 -1.05 -4.97 105.19 110.21 1kl3 n GLY 37 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1kl3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl3 s ALA 38 N -2.28 3.36 -0.15 4.61 0.00 -1.26 -1.41 121.76 124.63 1kl3 s ALA 38 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1kl3 s ALA 38 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 1kl3 s ALA 38 CO 0.00 0.28 -0.15 -0.51 0.00 0.00 0.00 175.76 175.38 1kl3 s LEU 39 N -1.95 2.48 0.03 0.00 1.43 -0.47 0.27 118.68 120.47 1kl3 s LEU 39 Ca 0.45 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1kl3 s LEU 39 Cb -0.17 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1kl3 s LEU 39 CO 0.22 0.09 -0.05 0.42 0.23 0.00 0.00 176.35 177.26 1kl3 s THR 40 N 0.80 0.29 -1.79 5.49 -4.23 -0.98 -1.18 115.64 114.05 1kl3 s THR 40 Ca -0.05 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1kl3 s THR 40 Cb -0.15 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1kl3 s THR 40 CO 0.00 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1kl3 n GLY 41 N 1.60 -0.76 3.02 3.99 0.00 -1.03 -0.68 105.19 111.32 1kl3 n GLY 41 Ca -0.23 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 1kl3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl3 s THR 42 N -3.00 0.72 -0.19 2.61 2.01 -0.07 -1.62 115.64 116.11 1kl3 s THR 42 Ca 0.00 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 1kl3 s THR 42 Cb 0.00 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1kl3 s THR 42 CO 0.00 0.21 -0.00 -0.47 -0.69 0.00 0.00 174.62 173.67 1kl3 s TYR 43 N -0.11 3.06 -0.13 4.92 6.14 0.78 -0.82 117.35 131.19 1kl3 s TYR 43 Ca 0.02 -0.34 0.03 0.00 0.64 0.00 0.00 57.07 57.41 1kl3 s TYR 43 Cb -0.05 -2.05 0.01 0.00 0.42 0.00 0.00 41.96 40.29 1kl3 s TYR 43 CO -0.00 -0.13 -0.22 0.08 0.64 0.00 0.00 175.55 175.92 1kl3 s VAL 44 N 0.75 2.13 0.92 3.14 1.01 0.74 -1.11 120.40 127.97 1kl3 s VAL 44 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1kl3 s VAL 44 Cb -0.14 -1.84 0.14 0.00 0.00 0.00 0.00 36.38 34.54 1kl3 s VAL 44 CO 0.02 0.55 1.13 0.42 0.00 0.00 0.00 175.10 177.23 1kl3 s THR 45 N 0.66 2.00 0.59 3.92 -4.23 -0.59 -0.99 115.64 117.00 1kl3 s THR 45 Ca -0.11 0.00 0.40 0.00 -1.18 0.00 0.00 61.69 60.80 1kl3 s THR 45 Cb -0.16 -2.73 0.41 0.00 1.34 0.00 0.00 72.50 71.36 1kl3 s THR 45 CO 0.02 0.00 2.30 0.00 -0.54 0.00 0.00 174.62 176.40 1kl3 h ALA 46 N -1.53 1.14 -0.09 3.99 0.00 -1.89 -1.14 119.26 119.75 1kl3 h ALA 46 Ca -0.51 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1kl3 h ALA 46 Cb 1.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1kl3 h ALA 46 CO 0.62 0.01 -0.17 -0.09 0.00 0.00 0.00 179.25 179.61 1kl3 h ARG 47 N 0.00 0.14 0.00 0.00 9.65 -1.91 -3.47 114.38 118.79 1kl3 h ARG 47 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1kl3 h ARG 47 Cb 0.06 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1kl3 h ARG 47 CO 0.00 0.31 0.00 0.41 2.80 0.00 0.00 179.97 183.49 1kl3 n GLY 48 N -0.88 1.49 3.48 2.80 0.00 -0.43 -5.03 105.19 106.62 1kl3 n GLY 48 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1kl3 n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kl3 n ASN 49 N 0.00 1.12 0.15 1.61 0.23 -1.26 -4.92 115.26 112.19 1kl3 n ASN 49 Ca 0.00 -1.97 0.11 0.00 -0.53 0.00 0.00 54.58 52.19 1kl3 n ASN 49 Cb 0.00 -0.61 0.63 0.00 -2.08 0.00 0.00 39.78 37.73 1kl3 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kl3 h ALA 50 N -0.69 2.13 0.00 -2.53 0.00 -1.98 -0.57 119.26 115.61 1kl3 h ALA 50 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1kl3 h ALA 50 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kl3 h ALA 50 CO 0.31 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.78 1kl3 n GLU 51 N -4.49 0.49 -0.11 0.00 4.71 -1.26 -2.89 120.64 117.09 1kl3 n GLU 51 Ca 0.02 0.04 0.04 0.00 -0.01 0.00 0.00 57.16 57.24 1kl3 n GLU 51 Cb 0.25 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.28 1kl3 n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1kl3 n SER 52 N -1.19 2.58 -4.67 1.62 7.64 -0.22 -4.85 113.62 114.53 1kl3 n SER 52 Ca 0.14 -1.97 -0.35 0.00 1.01 0.00 0.00 58.87 57.70 1kl3 n SER 52 Cb 0.16 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1kl3 n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1kl3 s ARG 53 N -0.98 4.05 0.03 1.43 0.52 -1.14 -1.55 118.95 121.31 1kl3 s ARG 53 Ca 0.15 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1kl3 s ARG 53 Cb 0.08 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 1kl3 s ARG 53 CO 0.11 0.27 -0.09 0.71 0.02 0.00 0.00 175.30 176.32 1kl3 s TYR 54 N 0.41 0.78 0.35 -0.53 1.51 -0.27 -4.81 117.35 114.79 1kl3 s TYR 54 Ca 0.05 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.51 1kl3 s TYR 54 Cb -0.12 -0.47 -0.09 0.00 -0.11 0.00 0.00 41.96 41.16 1kl3 s TYR 54 CO -0.00 -0.03 1.02 0.08 -1.11 0.00 0.00 175.55 175.51 1kl3 s VAL 55 N -0.86 3.83 0.07 0.71 1.01 -1.26 -0.16 120.40 123.74 1kl3 s VAL 55 Ca -0.03 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1kl3 s VAL 55 Cb -0.07 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1kl3 s VAL 55 CO 0.00 0.14 -0.19 -1.48 0.00 0.00 0.00 175.10 173.57 1kl3 s LEU 56 N -2.16 2.22 0.01 3.92 0.05 -0.64 -4.38 118.68 117.70 1kl3 s LEU 56 Ca 0.52 -0.58 -0.02 0.00 0.05 0.00 0.00 54.13 54.10 1kl3 s LEU 56 Cb -0.23 -0.85 -0.01 0.00 -2.05 0.00 0.00 46.19 43.05 1kl3 s LEU 56 CO 0.29 0.09 0.03 0.28 -0.55 0.00 0.00 176.35 176.49 1kl3 s THR 57 N -0.97 0.08 0.00 5.48 -1.32 -1.05 -2.48 115.64 115.39 1kl3 s THR 57 Ca 0.05 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1kl3 s THR 57 Cb -0.09 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1kl3 s THR 57 CO 0.03 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 1kl3 n GLY 58 N 1.84 2.21 3.16 6.08 0.00 -0.32 -1.04 105.19 117.11 1kl3 n GLY 58 Ca -0.21 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1kl3 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kl3 s ARG 59 N 0.25 0.63 0.07 1.61 1.81 -0.80 -1.36 118.95 121.16 1kl3 s ARG 59 Ca 0.00 -0.55 -0.07 0.00 -1.72 0.00 0.00 55.73 53.40 1kl3 s ARG 59 Cb 0.00 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.75 1kl3 s ARG 59 CO 0.00 -0.17 0.13 1.52 -0.68 0.00 0.00 175.30 176.10 1kl3 s TYR 60 N -2.16 0.25 -0.46 -0.53 1.13 -0.50 -1.72 117.35 113.35 1kl3 s TYR 60 Ca -0.08 -0.70 -0.29 0.00 -1.41 0.00 0.00 57.07 54.59 1kl3 s TYR 60 Cb -0.03 -0.15 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 1kl3 s TYR 60 CO -0.02 -0.49 1.40 0.34 -2.51 0.00 0.00 175.55 174.27 1kl3 s ASP 61 N -2.83 6.28 0.00 -0.18 2.15 -0.80 -4.61 116.67 116.69 1kl3 s ASP 61 Ca 0.05 0.66 0.22 0.00 0.43 0.00 0.00 52.55 53.90 1kl3 s ASP 61 Cb 0.05 -2.54 1.04 0.00 -0.30 0.00 0.00 42.92 41.17 1kl3 s ASP 61 CO -0.10 -1.51 1.70 -1.54 -0.17 0.00 0.00 175.17 173.55 1kl3 n SER 62 N 9.01 0.81 -3.13 -0.34 3.41 -1.26 -4.03 113.62 118.10 1kl3 n SER 62 Ca 0.15 -1.50 -0.21 0.00 -0.26 0.00 0.00 58.87 57.05 1kl3 n SER 62 Cb 0.48 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1kl3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kl3 n ALA 63 N -0.27 1.87 -1.14 7.33 0.00 -1.26 -5.02 120.51 122.01 1kl3 n ALA 63 Ca 0.16 -3.13 -0.30 0.00 0.00 0.00 0.00 53.44 50.18 1kl3 n ALA 63 Cb 0.20 -0.89 0.15 0.00 0.00 0.00 0.00 19.45 18.91 1kl3 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kl3 s PRO 64 N -1.06 1.10 0.75 0.00 0.04 -1.26 -4.98 135.00 129.59 1kl3 s PRO 64 Ca 0.35 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 1kl3 s PRO 64 Cb 0.20 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 33.00 1kl3 s PRO 64 CO -0.12 -2.36 1.20 0.00 0.04 0.00 0.00 177.00 175.76 1kl3 s ALA 65 N -2.89 2.07 -1.01 8.56 0.00 -1.26 -4.96 121.76 122.27 1kl3 s ALA 65 Ca 0.64 0.84 0.16 0.00 0.00 0.00 0.00 51.96 53.60 1kl3 s ALA 65 Cb -0.19 -3.46 0.53 0.00 0.00 0.00 0.00 23.12 20.00 1kl3 s ALA 65 CO 0.57 -1.94 1.45 0.25 0.00 0.00 0.00 175.76 176.09 1kl3 n THR 66 N -2.86 1.51 1.56 0.00 -2.24 -1.26 -4.50 114.28 106.49 1kl3 n THR 66 Ca 0.13 -1.22 0.03 0.00 -2.27 0.00 0.00 64.05 60.72 1kl3 n THR 66 Cb 0.50 0.24 0.10 0.00 -2.10 0.00 0.00 70.33 69.08 1kl3 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kl3 n ASP 67 N 0.71 0.75 0.00 3.42 5.68 -1.26 -4.85 116.55 120.99 1kl3 n ASP 67 Ca 0.20 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1kl3 n ASP 67 Cb 0.69 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1kl3 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kl3 n GLY 68 N 0.74 0.15 3.73 6.12 0.00 -1.26 -5.08 105.19 109.59 1kl3 n GLY 68 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1kl3 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl3 s SER 69 N -2.14 4.44 1.09 1.61 0.01 -1.26 -5.02 113.70 112.43 1kl3 s SER 69 Ca 0.00 2.50 -0.15 0.00 1.31 0.00 0.00 55.95 59.61 1kl3 s SER 69 Cb 0.00 -2.61 0.24 0.00 0.21 0.00 0.00 66.02 63.86 1kl3 s SER 69 CO 0.00 -2.11 1.09 -0.83 0.41 0.00 0.00 173.24 171.80 1kl3 s GLY 70 N -1.66 1.56 -0.32 3.44 0.00 -1.26 -4.80 107.32 104.29 1kl3 s GLY 70 Ca 0.79 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.84 1kl3 s GLY 70 CO 0.42 0.15 0.14 -1.59 0.00 0.00 0.00 173.10 172.21 1kl3 s THR 71 N -2.94 4.39 0.41 0.90 2.01 -0.37 -4.76 115.64 115.27 1kl3 s THR 71 Ca 0.68 -0.60 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 1kl3 s THR 71 Cb -0.16 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 1kl3 s THR 71 CO 0.57 0.01 1.20 0.00 -0.69 0.00 0.00 174.62 175.71 1kl3 s ALA 72 N 1.56 3.15 0.24 7.40 0.00 -1.26 -0.85 121.76 132.01 1kl3 s ALA 72 Ca 0.03 1.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1kl3 s ALA 72 Cb -0.18 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.57 1kl3 s ALA 72 CO 0.05 -0.63 0.74 -0.48 0.00 0.00 0.00 175.76 175.44 1kl3 s LEU 73 N -2.54 -0.30 0.16 0.00 0.05 -0.29 -1.90 118.68 113.87 1kl3 s LEU 73 Ca 0.58 -0.48 -0.22 0.00 0.05 0.00 0.00 54.13 54.06 1kl3 s LEU 73 Cb -0.32 2.62 0.06 0.00 -2.05 0.00 0.00 46.19 46.49 1kl3 s LEU 73 CO 0.41 -1.22 0.57 -0.83 -0.55 0.00 0.00 176.35 174.74 1kl3 s GLY 74 N -2.89 -0.53 0.14 -3.48 0.00 -0.70 -1.47 107.32 98.40 1kl3 s GLY 74 Ca 0.10 0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.97 1kl3 s GLY 74 CO 0.03 0.07 0.50 0.66 0.00 0.00 0.00 173.10 174.36 1kl3 s TRP 75 N -3.77 -0.38 0.00 1.90 -2.14 -0.65 -1.91 118.94 111.99 1kl3 s TRP 75 Ca 0.02 0.12 0.08 0.00 2.66 0.00 0.00 56.10 58.98 1kl3 s TRP 75 Cb -0.01 0.41 -0.02 0.00 -3.10 0.00 0.00 33.47 30.75 1kl3 s TRP 75 CO -0.12 -0.77 -0.24 0.99 -2.66 0.00 0.00 176.95 174.15 1kl3 s THR 76 N -3.75 1.89 -0.07 0.66 2.01 -0.21 -0.97 115.64 115.21 1kl3 s THR 76 Ca 0.02 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1kl3 s THR 76 Cb 0.00 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.93 1kl3 s THR 76 CO -0.12 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.40 1kl3 s VAL 77 N -0.64 1.49 -0.17 3.82 1.01 -0.43 -2.52 120.40 122.97 1kl3 s VAL 77 Ca 0.09 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1kl3 s VAL 77 Cb -0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1kl3 s VAL 77 CO 0.00 0.43 0.32 0.00 0.00 0.00 0.00 175.10 175.85 1kl3 s ALA 78 N 0.42 3.58 -0.00 5.51 0.00 -1.26 -0.90 121.76 129.10 1kl3 s ALA 78 Ca -0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1kl3 s ALA 78 Cb -0.16 -2.46 -0.26 0.00 0.00 0.00 0.00 23.12 20.25 1kl3 s ALA 78 CO 0.05 -0.03 3.56 0.91 0.00 0.00 0.00 175.76 180.25 1kl3 n TRP 79 N 3.86 0.01 -4.49 0.00 7.02 0.12 -4.76 117.44 119.20 1kl3 n TRP 79 Ca -0.11 -1.48 -0.23 0.00 -1.02 0.00 0.00 57.50 54.66 1kl3 n TRP 79 Cb 0.52 -1.56 -0.16 0.00 -2.42 0.00 0.00 31.31 27.69 1kl3 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1kl3 s LYS 80 N 0.94 1.31 0.00 -0.99 2.20 -1.26 -1.27 119.74 120.68 1kl3 s LYS 80 Ca 0.64 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1kl3 s LYS 80 Cb 0.31 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 1kl3 s LYS 80 CO -0.00 0.08 0.00 0.27 -0.36 0.00 0.00 175.35 175.33 1kl3 n ASN 81 N 3.55 0.28 -0.16 1.43 0.23 -0.55 -4.76 115.26 115.28 1kl3 n ASN 81 Ca -0.21 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.97 1kl3 n ASN 81 Cb 0.53 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.56 1kl3 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1kl3 n ASN 82 N 0.00 0.85 -0.01 0.53 3.02 -1.26 -4.09 115.26 114.30 1kl3 n ASN 82 Ca 0.00 -0.68 0.04 0.00 -0.03 0.00 0.00 54.58 53.91 1kl3 n ASN 82 Cb 0.00 0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 1kl3 n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1kl3 n TYR 83 N -0.94 0.00 -3.49 3.10 4.01 -1.26 -5.07 117.16 113.52 1kl3 n TYR 83 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1kl3 n TYR 83 Cb 0.34 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1kl3 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1kl3 s ARG 84 N -2.70 0.97 -0.09 -0.72 1.70 -1.26 -5.13 118.95 111.72 1kl3 s ARG 84 Ca -0.04 -0.25 -0.03 0.00 -0.47 0.00 0.00 55.73 54.94 1kl3 s ARG 84 Cb 0.07 0.45 0.05 0.00 -0.57 0.00 0.00 34.95 34.94 1kl3 s ARG 84 CO 0.46 -0.40 0.11 1.21 -1.08 0.00 0.00 175.30 175.60 1kl3 s ASN 85 N -2.28 1.24 0.00 -2.89 3.84 -1.26 -1.48 114.94 112.12 1kl3 s ASN 85 Ca 0.01 0.02 0.21 0.00 0.21 0.00 0.00 52.86 53.31 1kl3 s ASN 85 Cb -0.01 0.02 0.53 0.00 -0.55 0.00 0.00 41.25 41.24 1kl3 s ASN 85 CO -0.07 -0.27 1.45 0.00 -2.79 0.00 0.00 177.10 175.41 1kl3 n ALA 86 N 5.31 2.43 -3.87 1.71 0.00 -0.40 -4.97 120.51 120.71 1kl3 n ALA 86 Ca -0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 53.44 52.16 1kl3 n ALA 86 Cb 0.50 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1kl3 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kl3 n HIS 87 N 1.21 -1.71 -3.79 0.00 8.25 -1.26 -4.84 115.22 113.08 1kl3 n HIS 87 Ca 0.19 0.62 -0.09 0.00 -0.26 0.00 0.00 57.72 58.18 1kl3 n HIS 87 Cb 0.52 -3.61 -0.04 0.00 1.12 0.00 0.00 29.99 27.99 1kl3 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kl3 s SER 88 N -4.06 -0.24 -0.06 0.41 1.04 -1.26 -1.28 113.70 108.25 1kl3 s SER 88 Ca 0.17 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 1kl3 s SER 88 Cb -0.07 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1kl3 s SER 88 CO 0.88 -1.11 0.16 0.00 0.98 0.00 0.00 173.24 174.16 1kl3 s ALA 89 N -3.90 -0.40 -0.03 5.32 0.00 -0.18 -0.70 121.76 121.87 1kl3 s ALA 89 Ca 0.11 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1kl3 s ALA 89 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1kl3 s ALA 89 CO 0.00 -0.08 -0.11 0.99 0.00 0.00 0.00 175.76 176.56 1kl3 s THR 90 N 0.14 3.29 -0.07 0.00 2.01 -0.08 -0.87 115.64 120.07 1kl3 s THR 90 Ca -0.00 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.30 1kl3 s THR 90 Cb -0.02 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1kl3 s THR 90 CO -0.00 0.51 -0.23 0.42 -0.69 0.00 0.00 174.62 174.63 1kl3 s THR 91 N -0.84 2.23 -0.16 -0.82 -4.23 -0.69 -1.31 115.64 109.83 1kl3 s THR 91 Ca 0.13 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1kl3 s THR 91 Cb -0.11 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 1kl3 s THR 91 CO 0.03 0.57 0.01 0.26 -0.54 0.00 0.00 174.62 174.95 1kl3 s TRP 92 N -0.13 3.14 -0.06 3.99 0.51 -0.14 -1.29 118.94 124.96 1kl3 s TRP 92 Ca -0.04 -0.08 0.03 0.00 -2.12 0.00 0.00 56.10 53.88 1kl3 s TRP 92 Cb -0.14 -1.99 0.01 0.00 -0.81 0.00 0.00 33.47 30.54 1kl3 s TRP 92 CO 0.04 0.11 -0.14 0.45 -0.51 0.00 0.00 176.95 176.90 1kl3 s SER 93 N 0.20 1.95 0.00 2.95 0.15 0.17 -1.64 113.70 117.48 1kl3 s SER 93 Ca 0.01 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1kl3 s SER 93 Cb -0.13 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1kl3 s SER 93 CO 0.02 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1kl3 n GLY 94 N 3.58 1.35 2.98 9.45 0.00 -0.54 -1.39 105.19 120.63 1kl3 n GLY 94 Ca -0.21 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1kl3 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kl3 s GLN 95 N 0.29 0.12 -0.05 1.61 -2.07 -0.76 -1.14 119.66 117.66 1kl3 s GLN 95 Ca 0.00 0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 53.52 1kl3 s GLN 95 Cb 0.00 0.05 -0.05 0.00 -1.09 0.00 0.00 33.01 31.92 1kl3 s GLN 95 CO 0.00 -0.03 0.51 -0.47 -1.32 0.00 0.00 175.29 173.99 1kl3 s TYR 96 N 0.13 3.62 -0.25 9.60 5.04 -0.03 -1.40 117.35 134.06 1kl3 s TYR 96 Ca -0.01 1.03 0.01 0.00 -2.44 0.00 0.00 57.07 55.66 1kl3 s TYR 96 Cb -0.01 -2.53 0.04 0.00 0.35 0.00 0.00 41.96 39.81 1kl3 s TYR 96 CO -0.00 0.32 -0.11 0.08 -1.34 0.00 0.00 175.55 174.50 1kl3 s VAL 97 N 0.02 2.37 0.92 3.14 1.01 0.99 -1.24 120.40 127.61 1kl3 s VAL 97 Ca 0.28 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1kl3 s VAL 97 Cb -0.17 -2.28 0.20 0.00 0.00 0.00 0.00 36.38 34.13 1kl3 s VAL 97 CO 0.13 0.12 1.26 -0.83 0.00 0.00 0.00 175.10 175.78 1kl3 s GLY 98 N 1.20 1.79 0.00 4.51 0.00 -1.26 -1.03 107.32 112.52 1kl3 s GLY 98 Ca -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1kl3 s GLY 98 CO -0.06 -0.66 0.00 0.61 0.00 0.00 0.00 173.10 172.99 1kl3 n GLY 99 N -3.58 0.11 0.36 0.20 0.00 -1.26 -4.61 105.19 96.41 1kl3 n GLY 99 Ca 0.16 -2.30 0.10 0.00 0.00 0.00 0.00 46.02 43.98 1kl3 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl3 h ALA 100 N 0.00 1.83 -2.12 4.61 0.00 -2.07 -2.59 119.26 118.92 1kl3 h ALA 100 Ca 0.00 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1kl3 h ALA 100 Cb 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.25 1kl3 h ALA 100 CO 0.00 -0.00 -0.36 0.39 0.00 0.00 0.00 179.25 179.28 1kl3 n GLU 101 N -4.51 3.42 -1.65 0.00 -0.58 -1.26 -5.08 120.64 110.99 1kl3 n GLU 101 Ca 0.13 -4.79 -0.42 0.00 -0.42 0.00 0.00 57.16 51.67 1kl3 n GLU 101 Cb 0.36 -2.28 0.01 0.00 -0.57 0.00 0.00 31.44 28.96 1kl3 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kl3 n ALA 102 N 0.07 0.67 -2.77 0.62 0.00 -0.98 -4.95 120.51 113.17 1kl3 n ALA 102 Ca 0.33 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1kl3 n ALA 102 Cb 0.38 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1kl3 n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1kl3 s ARG 103 N -2.02 1.05 -0.26 0.00 1.70 -0.20 -4.26 118.95 114.96 1kl3 s ARG 103 Ca 0.61 -0.97 -0.02 0.00 -0.47 0.00 0.00 55.73 54.88 1kl3 s ARG 103 Cb -0.56 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1kl3 s ARG 103 CO 0.58 -0.38 -0.04 0.42 -1.08 0.00 0.00 175.30 174.80 1kl3 s ILE 104 N -3.89 3.03 -0.26 4.99 1.01 -0.26 -0.01 121.20 125.82 1kl3 s ILE 104 Ca 0.09 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 1kl3 s ILE 104 Cb 0.03 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1kl3 s ILE 104 CO -0.07 0.16 0.16 0.20 0.00 0.00 0.00 174.94 175.39 1kl3 s ASN 105 N 1.34 5.92 0.14 3.58 0.02 -0.50 -1.08 114.94 124.37 1kl3 s ASN 105 Ca 0.00 0.02 0.04 0.00 -1.02 0.00 0.00 52.86 51.90 1kl3 s ASN 105 Cb -0.17 -2.08 -0.04 0.00 0.02 0.00 0.00 41.25 38.98 1kl3 s ASN 105 CO -0.03 0.01 -0.10 0.42 0.02 0.00 0.00 177.10 177.41 1kl3 s THR 106 N 1.41 1.15 0.07 1.60 -4.23 -0.01 -1.83 115.64 113.79 1kl3 s THR 106 Ca 0.07 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1kl3 s THR 106 Cb -0.15 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 1kl3 s THR 106 CO 0.07 -0.71 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.09 1kl3 s GLN 107 N -3.59 1.75 0.14 3.99 -0.21 -0.49 -1.89 119.66 119.36 1kl3 s GLN 107 Ca 0.15 -1.15 0.06 0.00 0.02 0.00 0.00 55.36 54.44 1kl3 s GLN 107 Cb 0.02 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1kl3 s GLN 107 CO 0.01 0.50 -0.13 1.67 -2.12 0.00 0.00 175.29 175.22 1kl3 s TRP 108 N -0.89 1.40 -0.13 0.91 1.48 -0.30 -0.65 118.94 120.76 1kl3 s TRP 108 Ca 0.13 -0.61 -0.00 0.00 -1.06 0.00 0.00 56.10 54.56 1kl3 s TRP 108 Cb -0.10 -0.71 0.03 0.00 -1.16 0.00 0.00 33.47 31.52 1kl3 s TRP 108 CO 0.04 0.16 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.48 1kl3 s LEU 109 N -2.76 1.37 -0.26 -4.66 1.43 -0.41 -2.15 118.68 111.23 1kl3 s LEU 109 Ca 0.13 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1kl3 s LEU 109 Cb -0.02 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 1kl3 s LEU 109 CO 0.03 -0.10 0.04 -0.22 0.23 0.00 0.00 176.35 176.33 1kl3 s LEU 110 N 1.63 3.50 -0.12 1.79 0.20 -0.33 -1.70 118.68 123.65 1kl3 s LEU 110 Ca 0.05 -0.53 0.01 0.00 0.69 0.00 0.00 54.13 54.34 1kl3 s LEU 110 Cb -0.13 -1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 1kl3 s LEU 110 CO -0.09 -0.11 -0.15 -0.89 -0.29 0.00 0.00 176.35 174.82 1kl3 s THR 111 N 1.51 2.93 0.02 3.68 2.01 -0.05 -0.96 115.64 124.78 1kl3 s THR 111 Ca 0.04 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 1kl3 s THR 111 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1kl3 s THR 111 CO 0.01 0.54 0.13 -0.44 -0.69 0.00 0.00 174.62 174.17 1kl3 s SER 112 N 0.22 5.97 0.15 3.53 0.01 -0.17 -1.01 113.70 122.40 1kl3 s SER 112 Ca -0.09 0.20 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 1kl3 s SER 112 Cb -0.16 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.23 1kl3 s SER 112 CO 0.05 0.24 1.15 -0.83 0.41 0.00 0.00 173.24 174.26 1kl3 s GLY 113 N -2.01 2.69 0.14 3.44 0.00 -0.41 -4.79 107.32 106.39 1kl3 s GLY 113 Ca 0.27 0.85 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 1kl3 s GLY 113 CO 0.19 1.81 0.12 -0.51 0.00 0.00 0.00 173.10 174.70 1kl3 s THR 114 N 0.17 0.10 0.91 0.90 -4.23 -1.26 -5.01 115.64 107.21 1kl3 s THR 114 Ca 0.53 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1kl3 s THR 114 Cb -0.30 -1.97 0.14 0.00 1.34 0.00 0.00 72.50 71.71 1kl3 s THR 114 CO 0.34 -0.43 1.13 0.42 -0.54 0.00 0.00 174.62 175.53 1kl3 s THR 115 N -4.02 2.15 0.25 3.99 -4.23 -1.26 -4.87 115.64 107.65 1kl3 s THR 115 Ca 0.22 0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 1kl3 s THR 115 Cb 0.06 -2.76 0.18 0.00 1.34 0.00 0.00 72.50 71.32 1kl3 s THR 115 CO 0.01 -0.06 1.83 -0.33 -0.54 0.00 0.00 174.62 175.52 1kl3 h GLU 116 N -1.50 1.06 -0.10 3.99 5.08 -2.01 -1.53 114.58 119.56 1kl3 h GLU 116 Ca -0.51 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 57.61 1kl3 h GLU 116 Cb 1.32 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1kl3 h GLU 116 CO 0.61 0.85 -0.24 0.00 -1.00 0.00 0.00 179.01 179.23 1kl3 h ALA 117 N 1.28 1.42 -0.62 3.43 0.00 -2.07 -2.99 119.26 119.70 1kl3 h ALA 117 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kl3 h ALA 117 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1kl3 h ALA 117 CO -0.02 0.41 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1kl3 n ASN 118 N -4.19 4.08 0.26 0.00 3.02 -0.60 -4.40 115.26 113.43 1kl3 n ASN 118 Ca -0.01 -2.25 0.11 0.00 -0.03 0.00 0.00 54.58 52.40 1kl3 n ASN 118 Cb 0.34 -0.51 0.72 0.00 -0.61 0.00 0.00 39.78 39.72 1kl3 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kl3 h ALA 119 N 4.10 1.54 0.00 5.41 0.00 -1.35 -1.14 119.26 127.82 1kl3 h ALA 119 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1kl3 h ALA 119 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1kl3 h ALA 119 CO 0.13 0.11 -0.05 0.11 0.00 0.00 0.00 179.25 179.55 1kl3 h TRP 120 N 0.00 0.00 -0.73 0.00 5.08 -1.83 -1.35 115.95 117.12 1kl3 h TRP 120 Ca -0.00 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.70 1kl3 h TRP 120 Cb 0.19 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.19 1kl3 h TRP 120 CO 0.00 0.05 0.31 0.36 -1.28 0.00 0.00 178.44 177.88 1kl3 n LYS 121 N -4.02 3.13 0.10 0.12 2.85 -0.43 -4.58 118.16 115.33 1kl3 n LYS 121 Ca -0.03 -3.07 -0.03 0.00 -1.05 0.00 0.00 58.31 54.14 1kl3 n LYS 121 Cb 0.14 -2.14 -0.05 0.00 -0.65 0.00 0.00 35.03 32.32 1kl3 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kl3 h SER 122 N 2.05 0.00 -3.39 -5.58 4.64 -1.32 -3.46 113.55 106.49 1kl3 h SER 122 Ca 0.33 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.09 1kl3 h SER 122 Cb 2.33 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 64.04 1kl3 h SER 122 CO 0.75 0.77 -0.79 -0.89 -0.87 0.00 0.00 176.83 175.80 1kl3 s THR 123 N -2.83 1.16 0.21 2.95 2.01 -1.26 -1.00 115.64 116.88 1kl3 s THR 123 Ca 0.02 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 1kl3 s THR 123 Cb 0.09 -1.38 -0.06 0.00 0.01 0.00 0.00 72.50 71.15 1kl3 s THR 123 CO 0.79 0.05 0.50 -0.76 -0.69 0.00 0.00 174.62 174.50 1kl3 s LEU 124 N 1.60 4.18 0.06 4.42 1.43 -0.13 -4.94 118.68 125.29 1kl3 s LEU 124 Ca -0.01 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1kl3 s LEU 124 Cb -0.16 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1kl3 s LEU 124 CO -0.07 -0.06 -0.18 0.54 0.23 0.00 0.00 176.35 176.81 1kl3 s VAL 125 N -1.82 1.43 0.00 -1.59 0.11 -1.26 -1.19 120.40 116.08 1kl3 s VAL 125 Ca 0.45 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1kl3 s VAL 125 Cb -0.11 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1kl3 s VAL 125 CO 0.24 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1kl3 n GLY 126 N 1.54 1.54 2.98 6.54 0.00 -0.92 -5.01 105.19 111.87 1kl3 n GLY 126 Ca -0.19 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1kl3 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kl3 s HIS 127 N -6.75 0.18 0.03 1.61 -3.43 -1.26 -1.15 115.29 104.52 1kl3 s HIS 127 Ca 0.00 -0.38 0.01 0.00 -0.80 0.00 0.00 55.06 53.90 1kl3 s HIS 127 Cb 0.00 -0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1kl3 s HIS 127 CO 0.00 -0.17 -0.06 0.34 -2.00 0.00 0.00 174.74 172.85 1kl3 s ASP 128 N -1.20 0.61 -0.12 7.38 -1.08 -0.79 -4.95 116.67 116.52 1kl3 s ASP 128 Ca -0.13 -0.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.46 1kl3 s ASP 128 Cb -0.08 0.04 0.01 0.00 -1.46 0.00 0.00 42.92 41.43 1kl3 s ASP 128 CO -0.00 -0.19 -0.18 -0.89 0.52 0.00 0.00 175.17 174.42 1kl3 s THR 129 N -1.20 1.76 -0.04 1.71 2.01 -1.26 -0.83 115.64 117.79 1kl3 s THR 129 Ca -0.10 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1kl3 s THR 129 Cb -0.09 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1kl3 s THR 129 CO -0.00 0.49 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.02 1kl3 s PHE 130 N 0.88 2.99 0.33 4.92 0.40 -0.24 -4.05 117.98 123.20 1kl3 s PHE 130 Ca -0.07 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 1kl3 s PHE 130 Cb -0.15 -1.69 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 1kl3 s PHE 130 CO -0.01 0.39 0.06 0.95 0.70 0.00 0.00 175.22 177.31 1kl3 s THR 131 N -0.93 1.18 -0.49 0.64 -4.23 -0.52 -1.10 115.64 110.20 1kl3 s THR 131 Ca 0.15 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.90 1kl3 s THR 131 Cb -0.11 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.08 1kl3 s THR 131 CO 0.05 0.00 1.38 0.11 -0.54 0.00 0.00 174.62 175.62 1kl3 h LYS 132 N 2.11 0.00 -6.64 3.99 1.57 -1.82 0.14 116.57 115.92 1kl3 h LYS 132 Ca -0.41 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.70 1kl3 h LYS 132 Cb 1.24 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.38 1kl3 h LYS 132 CO 0.70 0.00 -0.77 0.14 -0.57 0.00 0.00 179.45 178.95 1kl3 s VAL 133 N -3.23 3.10 -2.00 0.50 -7.23 -1.26 -4.85 120.40 105.44 1kl3 s VAL 133 Ca 0.05 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1kl3 s VAL 133 Cb 0.10 -2.44 0.09 0.00 0.56 0.00 0.00 36.38 34.69 1kl3 s VAL 133 CO 0.71 0.10 0.67 0.29 -0.31 0.00 0.00 175.10 176.55