#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 s GLU 2 N 0.00 3.91 0.22 2.12 1.03 -1.26 -5.01 118.70 119.72 2kl3 s GLU 2 Ca 0.00 0.40 -0.09 0.00 0.03 0.00 0.00 54.97 55.31 2kl3 s GLU 2 Cb 0.00 -3.11 0.19 0.00 -0.80 0.00 0.00 34.13 30.41 2kl3 s GLU 2 CO 0.00 0.62 1.89 -1.00 -1.33 0.00 0.00 175.26 175.44 2kl3 h PRO 3 N 4.23 1.08 -5.23 -4.83 0.13 -1.96 -3.42 132.00 122.01 2kl3 h PRO 3 Ca -0.50 -0.06 -0.58 0.00 -0.87 0.00 0.00 66.00 63.98 2kl3 h PRO 3 Cb 1.21 -0.24 -0.32 0.00 0.13 0.00 0.00 31.00 31.78 2kl3 h PRO 3 CO 0.64 0.71 -0.84 -0.65 -0.23 0.00 0.00 178.00 177.63 2kl3 s GLN 4 N -6.13 2.00 -0.03 0.86 -0.21 -1.26 -1.30 119.66 113.59 2kl3 s GLN 4 Ca -0.13 -0.63 0.07 0.00 0.02 0.00 0.00 55.36 54.68 2kl3 s GLN 4 Cb 0.16 -1.67 -0.02 0.00 1.00 0.00 0.00 33.01 32.47 2kl3 s GLN 4 CO 0.79 0.21 -0.23 -1.54 -2.12 0.00 0.00 175.29 172.40 2kl3 s SER 5 N 0.17 3.29 0.19 5.90 1.04 -0.13 -4.92 113.70 119.24 2kl3 s SER 5 Ca -0.08 -0.41 -0.29 0.00 0.48 0.00 0.00 55.95 55.66 2kl3 s SER 5 Cb -0.13 -0.50 -0.08 0.00 0.10 0.00 0.00 66.02 65.41 2kl3 s SER 5 CO 0.03 0.32 0.90 -0.62 0.98 0.00 0.00 173.24 174.85 2kl3 s ASP 6 N -0.60 7.55 0.27 7.02 2.15 -1.26 -0.28 116.67 131.52 2kl3 s ASP 6 Ca 0.09 1.84 0.00 0.00 0.43 0.00 0.00 52.55 54.91 2kl3 s ASP 6 Cb -0.10 -2.58 0.55 0.00 -0.30 0.00 0.00 42.92 40.49 2kl3 s ASP 6 CO -0.00 0.13 1.79 0.00 -0.17 0.00 0.00 175.17 176.92 2kl3 h ALA 7 N 4.48 1.39 -0.46 3.66 0.00 -1.92 0.52 119.26 126.93 2kl3 h ALA 7 Ca -0.45 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2kl3 h ALA 7 Cb 1.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kl3 h ALA 7 CO 0.68 0.04 0.07 1.25 0.00 0.00 0.00 179.25 181.29 2kl3 h HIS 8 N 0.78 0.80 -0.60 0.00 -0.00 -1.91 -0.56 115.15 113.66 2kl3 h HIS 8 Ca 0.48 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 60.69 2kl3 h HIS 8 Cb 0.60 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 2kl3 h HIS 8 CO -0.05 0.76 0.18 0.28 -0.00 0.00 0.00 177.93 179.10 2kl3 h VAL 9 N 0.62 1.24 -0.64 5.26 2.07 -1.63 -0.52 116.25 122.66 2kl3 h VAL 9 Ca 0.14 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2kl3 h VAL 9 Cb 0.38 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2kl3 h VAL 9 CO 0.01 0.32 0.23 0.25 0.02 0.00 0.00 177.57 178.40 2kl3 h LEU 10 N 0.86 0.90 -0.56 2.57 5.85 -0.85 0.11 115.31 124.19 2kl3 h LEU 10 Ca 0.19 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2kl3 h LEU 10 Cb 0.30 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2kl3 h LEU 10 CO -0.01 0.84 0.31 0.50 -0.34 0.00 0.00 178.44 179.74 2kl3 h LYS 11 N 0.90 0.57 -0.17 1.25 3.64 -0.86 0.40 116.57 122.30 2kl3 h LYS 11 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2kl3 h LYS 11 Cb 0.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2kl3 h LYS 11 CO -0.01 0.38 -0.13 0.77 -2.27 0.00 0.00 179.45 178.19 2kl3 h SER 12 N 0.59 0.26 0.35 4.20 0.02 -0.63 -1.15 113.55 117.19 2kl3 h SER 12 Ca 0.24 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 2kl3 h SER 12 Cb 0.12 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2kl3 h SER 12 CO -0.15 0.42 -0.63 0.03 -1.14 0.00 0.00 176.83 175.36 2kl3 h ARG 13 N 0.26 0.27 0.00 3.45 3.08 -0.20 0.67 114.38 121.91 2kl3 h ARG 13 Ca 0.05 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2kl3 h ARG 13 Cb 0.39 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2kl3 h ARG 13 CO 0.02 0.81 -0.00 1.25 -1.07 0.00 0.00 179.97 180.98 2kl3 h LEU 14 N 0.20 -0.00 0.00 3.04 6.46 -0.24 -2.20 115.31 122.57 2kl3 h LEU 14 Ca -0.01 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.40 2kl3 h LEU 14 Cb 1.14 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2kl3 h LEU 14 CO 0.10 0.33 -0.10 -0.33 -0.62 0.00 0.00 178.44 177.82 2kl3 h GLU 15 N -0.34 0.00 0.05 1.25 5.08 -1.26 -3.42 114.58 115.94 2kl3 h GLU 15 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 2kl3 h GLU 15 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2kl3 h GLU 15 CO 0.00 0.70 -2.20 0.91 -1.00 0.00 0.00 179.01 177.43 2kl3 n TRP 16 N -4.64 0.56 -0.38 4.33 7.02 0.20 -5.01 117.44 119.52 2kl3 n TRP 16 Ca -0.09 0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 2kl3 n TRP 16 Cb 0.36 -1.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.18 2kl3 n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kl3 n GLY 17 N 1.97 -2.13 3.80 6.99 0.00 0.74 -4.94 105.19 111.61 2kl3 n GLY 17 Ca -0.41 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 2kl3 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl3 s GLU 18 N -1.98 4.14 -0.24 1.61 8.01 -1.23 -4.77 118.70 124.25 2kl3 s GLU 18 Ca 0.00 0.60 -0.03 0.00 0.01 0.00 0.00 54.97 55.55 2kl3 s GLU 18 Cb 0.00 -3.27 0.02 0.00 -4.31 0.00 0.00 34.13 26.57 2kl3 s GLU 18 CO 0.00 0.56 2.64 -0.35 0.01 0.00 0.00 175.26 178.11 2kl3 n PRO 19 N 2.14 1.92 0.01 0.39 -0.04 -1.26 -4.23 135.00 133.93 2kl3 n PRO 19 Ca -0.11 -1.45 0.11 0.00 -0.04 0.00 0.00 63.50 62.01 2kl3 n PRO 19 Cb 0.51 -1.78 0.06 0.00 -0.04 0.00 0.00 33.50 32.25 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 20 N 1.19 3.82 -2.65 0.55 0.00 -1.26 -4.97 120.51 117.20 2kl3 n ALA 20 Ca 0.35 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2kl3 n ALA 20 Cb 0.64 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 2kl3 n ALA 20 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kl3 s PHE 21 N -3.08 3.50 -0.05 0.00 -0.12 -1.26 -4.50 117.98 112.47 2kl3 s PHE 21 Ca 0.07 0.39 0.03 0.00 -0.05 0.00 0.00 56.93 57.38 2kl3 s PHE 21 Cb 0.16 -1.92 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 2kl3 s PHE 21 CO 0.78 0.15 -0.14 0.99 -0.05 0.00 0.00 175.22 176.96 2kl3 s THR 22 N -2.25 1.20 -0.16 -4.49 2.01 0.21 -5.02 115.64 107.13 2kl3 s THR 22 Ca 0.40 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 2kl3 s THR 22 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2kl3 s THR 22 CO 0.35 0.36 0.07 -0.63 -0.69 0.00 0.00 174.62 174.07 2kl3 s ILE 23 N 0.29 4.85 -0.12 1.82 1.01 -1.26 -0.43 121.20 127.36 2kl3 s ILE 23 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 2kl3 s ILE 23 Cb -0.12 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2kl3 s ILE 23 CO 0.02 0.50 -0.11 -0.76 0.00 0.00 0.00 174.94 174.59 2kl3 s LEU 24 N 0.05 2.84 -0.68 2.97 1.43 0.97 -0.63 118.68 125.62 2kl3 s LEU 24 Ca 0.06 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 2kl3 s LEU 24 Cb -0.12 -1.64 0.11 0.00 0.03 0.00 0.00 46.19 44.57 2kl3 s LEU 24 CO 0.01 0.20 0.83 -0.62 0.23 0.00 0.00 176.35 176.99 2kl3 s ASP 25 N 0.18 6.30 0.00 2.29 -1.08 -0.41 -2.05 116.67 121.91 2kl3 s ASP 25 Ca -0.06 -1.56 0.19 0.00 -0.52 0.00 0.00 52.55 50.60 2kl3 s ASP 25 Cb -0.15 -2.33 0.52 0.00 -1.46 0.00 0.00 42.92 39.50 2kl3 s ASP 25 CO 0.04 -1.13 1.43 1.33 0.52 0.00 0.00 175.17 177.37 2kl3 n VAL 26 N 5.48 0.67 0.14 1.11 0.24 -1.02 -3.11 118.33 121.84 2kl3 n VAL 26 Ca -0.01 -0.72 -0.06 0.00 -2.04 0.00 0.00 64.34 61.51 2kl3 n VAL 26 Cb 0.44 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kl3 h ARG 27 N 3.40 -0.35 0.00 7.34 3.08 -1.85 -2.44 114.38 123.57 2kl3 h ARG 27 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kl3 h ARG 27 Cb 0.77 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2kl3 h ARG 27 CO 0.00 -0.23 0.00 -3.47 -1.07 0.00 0.00 179.97 175.20 2kl3 n ASP 28 N -3.24 0.00 -0.02 7.04 -0.08 -1.26 -4.56 116.55 114.43 2kl3 n ASP 28 Ca -0.05 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.23 2kl3 n ASP 28 Cb 0.14 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.87 2kl3 n ASP 28 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2kl3 h ARG 29 N 0.00 0.56 -0.14 -0.67 9.65 -1.95 0.29 114.38 122.12 2kl3 h ARG 29 Ca 0.00 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.70 2kl3 h ARG 29 Cb 0.00 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 2kl3 h ARG 29 CO 0.00 0.60 -0.13 0.66 2.80 0.00 0.00 179.97 183.90 2kl3 h SER 30 N 0.54 0.36 0.28 -3.80 4.64 -1.99 -2.05 113.55 111.53 2kl3 h SER 30 Ca 0.11 -0.47 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 2kl3 h SER 30 Cb 0.37 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2kl3 h SER 30 CO 0.01 0.75 -0.32 0.74 -0.87 0.00 0.00 176.83 177.15 2kl3 h THR 31 N -0.03 1.25 0.17 2.95 2.02 -1.88 0.19 112.91 117.57 2kl3 h THR 31 Ca 0.02 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 2kl3 h THR 31 Cb 0.65 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2kl3 h THR 31 CO 0.03 0.34 -0.12 0.22 0.37 0.00 0.00 175.52 176.37 2kl3 h TYR 32 N 0.06 -0.30 -0.20 3.16 3.20 -0.33 -1.50 116.97 121.06 2kl3 h TYR 32 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2kl3 h TYR 32 Cb 0.60 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2kl3 h TYR 32 CO 0.00 -0.18 0.01 -0.91 -1.64 0.00 0.00 178.16 175.44 2kl3 h ASN 33 N -0.28 0.26 -0.04 -2.11 2.35 -1.01 -2.92 115.58 111.82 2kl3 h ASN 33 Ca -0.01 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2kl3 h ASN 33 Cb 0.25 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2kl3 h ASN 33 CO 0.01 0.31 0.02 -0.78 -1.65 0.00 0.00 177.43 175.33 2kl3 h ASP 34 N 0.28 0.05 -1.61 5.81 1.82 -0.53 0.29 116.42 122.54 2kl3 h ASP 34 Ca 0.07 -0.06 0.23 0.00 -0.39 0.00 0.00 57.03 56.88 2kl3 h ASP 34 Cb 0.19 -0.01 -0.33 0.00 0.68 0.00 0.00 39.33 39.86 2kl3 h ASP 34 CO 0.00 0.09 0.75 -0.83 -1.61 0.00 0.00 179.24 177.65 2kl3 s GLY 35 N -2.34 0.65 0.26 -0.78 0.00 -0.60 -1.07 107.32 103.43 2kl3 s GLY 35 Ca -0.13 3.91 -0.04 0.00 0.00 0.00 0.00 44.72 48.45 2kl3 s GLY 35 CO 0.67 2.92 0.32 -2.38 0.00 0.00 0.00 173.10 174.63 2kl3 s HIS 36 N 1.20 0.98 0.37 1.90 -3.43 0.57 -4.66 115.29 112.22 2kl3 s HIS 36 Ca -0.06 -1.20 -0.27 0.00 -0.80 0.00 0.00 55.06 52.72 2kl3 s HIS 36 Cb -0.02 -0.26 -0.09 0.00 -1.43 0.00 0.00 32.58 30.78 2kl3 s HIS 36 CO -0.10 -0.88 1.30 0.42 -2.00 0.00 0.00 174.74 173.48 2kl3 s ILE 37 N -3.80 2.70 -0.02 -5.38 1.01 -1.26 0.70 121.20 115.15 2kl3 s ILE 37 Ca 0.33 0.66 -0.30 0.00 0.00 0.00 0.00 60.65 61.33 2kl3 s ILE 37 Cb 0.03 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 2kl3 s ILE 37 CO 0.15 0.13 2.01 0.80 0.00 0.00 0.00 174.94 178.02 2kl3 n MET 38 N 0.45 2.63 -1.27 2.79 0.00 -0.89 -1.76 117.12 119.06 2kl3 n MET 38 Ca 0.02 0.94 -0.01 0.00 -0.00 0.00 0.00 57.70 58.65 2kl3 n MET 38 Cb 0.43 -2.99 -0.00 0.00 0.00 0.00 0.00 33.22 30.65 2kl3 n MET 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kl3 n GLY 39 N 4.75 0.40 3.90 -5.12 0.00 -1.26 -4.99 105.19 102.86 2kl3 n GLY 39 Ca 0.22 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2kl3 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 40 N -2.02 2.94 0.00 4.61 0.00 -0.72 -4.78 121.76 121.78 2kl3 s ALA 40 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2kl3 s ALA 40 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2kl3 s ALA 40 CO 0.00 -1.22 0.13 -1.64 0.00 0.00 0.00 175.76 173.04 2kl3 s MET 41 N -5.34 3.23 -1.29 0.00 -1.94 0.20 -4.99 119.30 109.18 2kl3 s MET 41 Ca 0.58 -0.43 -0.08 0.00 -1.71 0.00 0.00 55.69 54.05 2kl3 s MET 41 Cb -0.11 -2.96 0.16 0.00 2.01 0.00 0.00 34.83 33.93 2kl3 s MET 41 CO 0.49 0.65 1.97 0.00 -0.01 0.00 0.00 175.02 178.13 2kl3 n ALA 42 N 0.97 5.66 -3.58 3.03 0.00 -1.26 -1.28 120.51 124.05 2kl3 n ALA 42 Ca -0.11 -4.28 -0.40 0.00 0.00 0.00 0.00 53.44 48.65 2kl3 n ALA 42 Cb 0.52 -2.93 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 2kl3 n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kl3 s MET 43 N 0.01 3.01 0.29 0.00 -1.94 -1.24 -4.97 119.30 114.47 2kl3 s MET 43 Ca 0.42 -2.62 -0.29 0.00 -1.71 0.00 0.00 55.69 51.49 2kl3 s MET 43 Cb 0.11 -3.99 -0.09 0.00 2.01 0.00 0.00 34.83 32.87 2kl3 s MET 43 CO -0.01 -1.22 1.06 -1.25 -0.01 0.00 0.00 175.02 173.58 2kl3 s PRO 44 N -0.18 4.62 0.59 2.03 0.04 -1.18 -3.27 135.00 137.65 2kl3 s PRO 44 Ca 0.19 1.70 0.29 0.00 0.04 0.00 0.00 61.00 63.21 2kl3 s PRO 44 Cb -0.15 -3.11 1.37 0.00 0.04 0.00 0.00 34.50 32.64 2kl3 s PRO 44 CO -0.06 0.23 1.76 0.97 0.04 0.00 0.00 177.00 179.94 2kl3 h ILE 45 N 2.98 0.27 -0.01 0.56 2.10 -1.67 0.57 117.51 122.32 2kl3 h ILE 45 Ca -0.47 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.47 2kl3 h ILE 45 Cb 1.21 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2kl3 h ILE 45 CO 0.66 0.00 -0.02 -0.33 -1.08 0.00 0.00 178.15 177.38 2kl3 h GLU 46 N 0.00 0.03 -0.29 2.19 5.08 -1.91 -3.31 114.58 116.37 2kl3 h GLU 46 Ca 0.29 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2kl3 h GLU 46 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2kl3 h GLU 46 CO -0.00 0.62 0.00 -0.25 -1.00 0.00 0.00 179.01 178.37 2kl3 n ASP 47 N -4.78 2.87 -0.23 1.42 9.92 0.47 -4.68 116.55 121.54 2kl3 n ASP 47 Ca -0.09 -1.91 -0.06 0.00 -0.53 0.00 0.00 54.79 52.21 2kl3 n ASP 47 Cb 0.31 -0.19 -0.01 0.00 -0.64 0.00 0.00 41.12 40.60 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2kl3 h LEU 48 N 3.79 -1.35 0.01 0.64 5.85 -0.10 0.13 115.31 124.29 2kl3 h LEU 48 Ca 0.00 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2kl3 h LEU 48 Cb 0.83 0.65 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 2kl3 h LEU 48 CO 0.00 -0.31 -0.18 0.58 -0.34 0.00 0.00 178.44 178.18 2kl3 h VAL 49 N -0.17 0.56 0.16 1.05 2.07 -1.86 0.99 116.25 119.05 2kl3 h VAL 49 Ca 0.22 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.75 2kl3 h VAL 49 Cb 0.56 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2kl3 h VAL 49 CO -0.72 0.00 -0.21 -0.78 0.02 0.00 0.00 177.57 175.88 2kl3 h ASP 50 N -0.31 -0.57 -0.11 0.57 3.58 -1.72 -1.20 116.42 116.67 2kl3 h ASP 50 Ca 0.05 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.58 2kl3 h ASP 50 Cb 0.37 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2kl3 h ASP 50 CO -0.16 -0.30 0.00 0.03 -2.88 0.00 0.00 179.24 175.93 2kl3 h ARG 51 N -0.42 0.04 -0.27 0.28 2.47 -0.55 -2.33 114.38 113.60 2kl3 h ARG 51 Ca 0.01 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2kl3 h ARG 51 Cb 0.42 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2kl3 h ARG 51 CO -0.08 0.03 0.08 0.00 0.56 0.00 0.00 179.97 180.56 2kl3 h ALA 52 N 1.09 0.36 -0.06 0.04 0.00 -0.79 -1.90 119.26 118.00 2kl3 h ALA 52 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kl3 h ALA 52 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kl3 h ALA 52 CO -0.08 -0.01 0.11 0.77 0.00 0.00 0.00 179.25 180.04 2kl3 h SER 53 N 0.27 0.00 0.00 0.00 0.02 -1.10 0.16 113.55 112.91 2kl3 h SER 53 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2kl3 h SER 53 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2kl3 h SER 53 CO -0.00 0.00 -0.08 -1.28 -1.14 0.00 0.00 176.83 174.32 2kl3 h SER 54 N 0.00 0.00 -0.07 3.07 0.87 -0.84 -3.41 113.55 113.17 2kl3 h SER 54 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2kl3 h SER 54 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2kl3 h SER 54 CO -0.00 0.40 0.00 -1.20 -0.53 0.00 0.00 176.83 175.50 2kl3 n SER 55 N -4.00 2.13 -4.17 6.23 7.64 -0.77 -4.94 113.62 115.74 2kl3 n SER 55 Ca -0.01 -1.72 -0.11 0.00 1.01 0.00 0.00 58.87 58.04 2kl3 n SER 55 Cb 0.04 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 2kl3 n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kl3 s LEU 56 N -1.90 2.51 0.60 -3.43 1.43 0.57 -5.06 118.68 113.40 2kl3 s LEU 56 Ca 0.34 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 2kl3 s LEU 56 Cb 0.20 -0.09 0.09 0.00 0.03 0.00 0.00 46.19 46.42 2kl3 s LEU 56 CO 0.31 -0.46 0.83 -1.61 0.23 0.00 0.00 176.35 175.65 2kl3 s GLU 57 N -3.81 2.19 -0.03 1.70 8.01 -1.26 -4.47 118.70 121.03 2kl3 s GLU 57 Ca 0.12 -1.37 0.16 0.00 0.01 0.00 0.00 54.97 53.89 2kl3 s GLU 57 Cb 0.05 -2.55 -0.20 0.00 -4.31 0.00 0.00 34.13 27.12 2kl3 s GLU 57 CO -0.04 -0.97 0.60 1.63 0.01 0.00 0.00 175.26 176.49 2kl3 n LYS 58 N -2.39 0.64 0.00 1.61 5.02 -1.26 -3.66 118.16 118.12 2kl3 n LYS 58 Ca 0.14 0.16 0.14 0.00 -2.02 0.00 0.00 58.31 56.73 2kl3 n LYS 58 Cb 0.61 -1.72 0.51 0.00 -0.02 0.00 0.00 35.03 34.41 2kl3 n LYS 58 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2kl3 n SER 59 N -2.85 1.00 -4.74 4.39 7.64 -1.26 0.00 113.62 117.79 2kl3 n SER 59 Ca -0.16 -1.03 -0.41 0.00 1.01 0.00 0.00 58.87 58.28 2kl3 n SER 59 Cb 0.94 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kl3 s ARG 60 N -2.30 4.33 -0.69 1.43 6.06 -1.24 -4.71 118.95 121.82 2kl3 s ARG 60 Ca 0.31 2.17 -0.26 0.00 -2.50 0.00 0.00 55.73 55.46 2kl3 s ARG 60 Cb 0.20 -3.16 -0.05 0.00 0.06 0.00 0.00 34.95 32.00 2kl3 s ARG 60 CO 0.44 -0.34 2.05 -0.51 -2.50 0.00 0.00 175.30 174.43 2kl3 s ASP 61 N 0.41 4.92 -0.13 -2.12 1.11 -1.26 -4.34 116.67 115.26 2kl3 s ASP 61 Ca 0.59 0.15 -0.03 0.00 0.18 0.00 0.00 52.55 53.43 2kl3 s ASP 61 Cb -0.39 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.04 2kl3 s ASP 61 CO 0.40 -2.75 -0.03 -0.63 1.18 0.00 0.00 175.17 173.33 2kl3 s ILE 62 N 10.59 3.94 -0.08 0.77 1.01 -0.03 -0.62 121.20 136.79 2kl3 s ILE 62 Ca 0.76 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 61.11 2kl3 s ILE 62 Cb -0.12 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2kl3 s ILE 62 CO 0.14 0.53 -0.24 -0.31 0.00 0.00 0.00 174.94 175.05 2kl3 s TYR 63 N -0.01 2.45 -0.07 3.97 1.51 0.42 -0.79 117.35 124.84 2kl3 s TYR 63 Ca 0.01 -0.86 0.05 0.00 -1.01 0.00 0.00 57.07 55.26 2kl3 s TYR 63 Cb -0.13 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 2kl3 s TYR 63 CO 0.03 -0.31 -0.21 0.08 -1.11 0.00 0.00 175.55 174.03 2kl3 s VAL 64 N 0.08 2.43 -0.05 0.71 1.01 -0.24 -0.02 120.40 124.32 2kl3 s VAL 64 Ca -0.11 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.96 2kl3 s VAL 64 Cb -0.16 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2kl3 s VAL 64 CO 0.06 0.57 -0.04 -0.72 0.00 0.00 0.00 175.10 174.96 2kl3 s TYR 65 N -0.20 0.76 0.22 5.22 1.13 -0.87 -0.67 117.35 122.94 2kl3 s TYR 65 Ca -0.02 -0.22 0.02 0.00 -1.41 0.00 0.00 57.07 55.45 2kl3 s TYR 65 Cb -0.13 -0.68 0.02 0.00 -1.10 0.00 0.00 41.96 40.06 2kl3 s TYR 65 CO 0.03 -0.20 0.18 0.41 -2.51 0.00 0.00 175.55 173.46 2kl3 n GLY 66 N 4.11 2.80 0.09 5.49 0.00 -1.26 -2.44 105.19 113.97 2kl3 n GLY 66 Ca -0.24 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.44 2kl3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 h ALA 67 N 0.67 -0.09 -2.95 4.61 0.00 -1.92 -3.36 119.26 116.22 2kl3 h ALA 67 Ca -0.13 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 2kl3 h ALA 67 Cb 0.50 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2kl3 h ALA 67 CO 0.21 -0.27 -0.59 0.20 0.00 0.00 0.00 179.25 178.80 2kl3 s GLY 68 N -3.27 1.85 0.28 0.00 0.00 -1.26 -4.81 107.32 100.11 2kl3 s GLY 68 Ca -0.15 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.45 2kl3 s GLY 68 CO 0.62 -1.14 1.71 -1.80 0.00 0.00 0.00 173.10 172.49 2kl3 h ASP 69 N 2.85 0.40 -0.25 1.64 3.58 -1.87 -1.21 116.42 121.55 2kl3 h ASP 69 Ca -0.47 0.14 -0.13 0.00 0.42 0.00 0.00 57.03 56.98 2kl3 h ASP 69 Cb 1.18 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2kl3 h ASP 69 CO 0.63 0.06 -0.33 -0.08 -2.88 0.00 0.00 179.24 176.65 2kl3 h GLU 70 N 0.47 0.77 -0.53 0.28 4.81 -1.98 -0.93 114.58 117.46 2kl3 h GLU 70 Ca 0.54 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2kl3 h GLU 70 Cb 0.96 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 2kl3 h GLU 70 CO -0.48 0.99 0.32 0.37 -0.73 0.00 0.00 179.01 179.47 2kl3 h GLN 71 N 0.65 0.61 0.06 1.92 4.15 -1.67 -1.33 115.11 119.50 2kl3 h GLN 71 Ca 0.07 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2kl3 h GLN 71 Cb 0.86 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2kl3 h GLN 71 CO 0.08 0.41 -0.16 1.15 -1.93 0.00 0.00 178.83 178.37 2kl3 h THR 72 N 0.63 0.62 -0.86 2.39 2.02 -0.90 -1.86 112.91 114.96 2kl3 h THR 72 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 2kl3 h THR 72 Cb 0.03 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2kl3 h THR 72 CO -0.10 0.00 0.51 -1.28 0.37 0.00 0.00 175.52 175.02 2kl3 h SER 73 N -0.30 1.04 -0.29 4.18 0.87 -1.03 -2.52 113.55 115.51 2kl3 h SER 73 Ca 0.03 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2kl3 h SER 73 Cb 0.33 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2kl3 h SER 73 CO -0.11 0.81 0.06 -0.61 -0.53 0.00 0.00 176.83 176.44 2kl3 h GLN 74 N 1.18 0.46 -0.19 2.24 4.15 -1.08 -1.38 115.11 120.49 2kl3 h GLN 74 Ca 0.31 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.65 2kl3 h GLN 74 Cb -0.03 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2kl3 h GLN 74 CO -0.06 0.56 -0.07 0.00 -1.93 0.00 0.00 178.83 177.33 2kl3 h ALA 75 N 0.88 0.10 -0.73 3.38 0.00 -1.20 -0.49 119.26 121.21 2kl3 h ALA 75 Ca 0.09 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.18 2kl3 h ALA 75 Cb 0.31 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2kl3 h ALA 75 CO 0.00 -0.50 0.34 0.28 0.00 0.00 0.00 179.25 179.38 2kl3 h VAL 76 N -0.04 0.79 -0.84 0.00 2.07 -1.35 -1.29 116.25 115.60 2kl3 h VAL 76 Ca 0.10 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2kl3 h VAL 76 Cb 0.19 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 2kl3 h VAL 76 CO -0.22 0.10 0.51 -1.13 0.02 0.00 0.00 177.57 176.85 2kl3 h ASN 77 N 0.56 0.77 -0.27 0.57 -1.24 -0.27 -0.90 115.58 114.78 2kl3 h ASN 77 Ca 0.37 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.33 2kl3 h ASN 77 Cb 0.45 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 2kl3 h ASN 77 CO -0.31 0.47 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.15 2kl3 h LEU 78 N 0.89 0.64 0.08 0.34 3.38 -0.04 0.33 115.31 120.94 2kl3 h LEU 78 Ca 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2kl3 h LEU 78 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kl3 h LEU 78 CO -0.20 0.77 -0.04 -0.07 0.09 0.00 0.00 178.44 178.98 2kl3 h LEU 79 N 0.61 -0.09 -1.71 1.67 3.38 -0.68 -0.88 115.31 117.61 2kl3 h LEU 79 Ca 0.11 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.64 2kl3 h LEU 79 Cb 0.51 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kl3 h LEU 79 CO 0.03 0.47 0.25 0.08 0.09 0.00 0.00 178.44 179.36 2kl3 h ARG 80 N -0.69 0.37 -0.68 1.13 0.11 -1.18 0.13 114.38 113.57 2kl3 h ARG 80 Ca -0.01 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.00 2kl3 h ARG 80 Cb 0.56 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 2kl3 h ARG 80 CO 0.02 0.25 0.22 1.03 0.10 0.00 0.00 179.97 181.59 2kl3 h SER 81 N 0.38 0.96 0.54 0.08 0.87 -0.89 -2.38 113.55 113.10 2kl3 h SER 81 Ca 0.16 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kl3 h SER 81 Cb 0.15 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kl3 h SER 81 CO -0.04 0.89 0.00 0.00 -0.53 0.00 0.00 176.83 177.15 2kl3 n ALA 82 N -2.45 1.75 0.00 6.23 0.00 0.34 -4.85 120.51 121.53 2kl3 n ALA 82 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kl3 n ALA 82 Cb 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2kl3 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 83 N 0.16 0.78 3.66 0.00 0.00 -0.72 -5.08 105.19 103.99 2kl3 n GLY 83 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2kl3 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kl3 s PHE 84 N -2.00 1.94 -0.11 1.61 0.40 -0.46 -4.89 117.98 114.47 2kl3 s PHE 84 Ca 0.00 0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 56.17 2kl3 s PHE 84 Cb 0.00 -3.97 -0.28 0.00 0.51 0.00 0.00 43.02 39.28 2kl3 s PHE 84 CO 0.00 -4.13 0.81 0.93 0.70 0.00 0.00 175.22 173.54 2kl3 h GLU 85 N 9.51 0.09 -3.59 0.44 5.08 -0.75 -3.35 114.58 122.02 2kl3 h GLU 85 Ca -0.41 -0.16 -0.78 0.00 -1.00 0.00 0.00 59.36 57.00 2kl3 h GLU 85 Cb 1.19 0.06 -0.29 0.00 0.50 0.00 0.00 28.75 30.21 2kl3 h GLU 85 CO 0.95 1.07 0.28 -1.01 -1.00 0.00 0.00 179.01 179.30 2kl3 s HIS 86 N -2.30 4.09 -0.07 4.33 3.76 -0.81 -4.99 115.29 119.29 2kl3 s HIS 86 Ca -0.17 -2.59 0.00 0.00 -0.15 0.00 0.00 55.06 52.15 2kl3 s HIS 86 Cb -0.02 -3.73 0.02 0.00 1.11 0.00 0.00 32.58 29.96 2kl3 s HIS 86 CO 0.73 -0.93 -0.05 0.08 -0.85 0.00 0.00 174.74 173.72 2kl3 s VAL 87 N -0.94 0.73 0.01 -0.90 1.01 -1.26 -0.85 120.40 118.19 2kl3 s VAL 87 Ca 0.27 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2kl3 s VAL 87 Cb -0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2kl3 s VAL 87 CO -0.09 0.29 -0.25 -0.55 0.00 0.00 0.00 175.10 174.50 2kl3 s SER 88 N 1.35 3.02 -0.14 3.32 0.15 0.03 -4.85 113.70 116.58 2kl3 s SER 88 Ca -0.03 -0.51 -0.18 0.00 0.70 0.00 0.00 55.95 55.93 2kl3 s SER 88 Cb -0.14 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 2kl3 s SER 88 CO -0.03 0.29 0.47 -1.83 1.20 0.00 0.00 173.24 173.34 2kl3 s GLU 89 N -0.84 4.31 -0.19 5.44 -1.05 -0.42 -1.08 118.70 124.86 2kl3 s GLU 89 Ca 0.10 0.41 -0.28 0.00 -0.15 0.00 0.00 54.97 55.06 2kl3 s GLU 89 Cb -0.10 -3.46 -0.00 0.00 -0.44 0.00 0.00 34.13 30.13 2kl3 s GLU 89 CO 0.00 0.11 0.95 -1.17 0.95 0.00 0.00 175.26 176.10 2kl3 s LEU 90 N 0.80 4.14 0.49 1.83 2.96 0.16 -0.96 118.68 128.10 2kl3 s LEU 90 Ca 0.25 1.30 -0.20 0.00 -0.22 0.00 0.00 54.13 55.26 2kl3 s LEU 90 Cb -0.15 -3.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.04 2kl3 s LEU 90 CO 0.10 -0.54 1.03 -0.54 -1.32 0.00 0.00 176.35 175.08 2kl3 s LYS 91 N 2.67 3.78 0.00 1.98 -0.14 0.62 -3.97 119.74 124.69 2kl3 s LYS 91 Ca 0.42 1.33 0.00 0.00 -1.36 0.00 0.00 55.97 56.36 2kl3 s LYS 91 Cb -0.16 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 2kl3 s LYS 91 CO 0.10 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 174.66 2kl3 n GLY 92 N -0.37 1.56 0.50 -3.33 0.00 -1.26 -3.61 105.19 98.68 2kl3 n GLY 92 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kl3 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kl3 n GLY 93 N 0.00 -1.91 0.35 -0.02 0.00 -1.25 -4.27 105.19 98.08 2kl3 n GLY 93 Ca 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 2kl3 n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kl3 h LEU 94 N 0.00 1.07 -1.06 0.99 5.85 -1.88 -1.53 115.31 118.75 2kl3 h LEU 94 Ca 0.00 -0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.84 2kl3 h LEU 94 Cb 0.00 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 40.67 2kl3 h LEU 94 CO 0.00 0.80 0.62 0.00 -0.34 0.00 0.00 178.44 179.52 2kl3 h ALA 95 N 1.31 1.69 -0.17 1.25 0.00 -1.92 0.27 119.26 121.69 2kl3 h ALA 95 Ca 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2kl3 h ALA 95 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2kl3 h ALA 95 CO -0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.06 2kl3 h ALA 96 N 1.62 0.24 -0.96 0.00 0.00 -1.49 0.17 119.26 118.83 2kl3 h ALA 96 Ca 0.55 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 55.33 2kl3 h ALA 96 Cb 0.82 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 2kl3 h ALA 96 CO -0.33 0.07 0.56 2.35 0.00 0.00 0.00 179.25 181.90 2kl3 h TRP 97 N 0.03 0.99 0.03 0.00 2.91 -0.39 -0.66 115.95 118.87 2kl3 h TRP 97 Ca 0.03 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.87 2kl3 h TRP 97 Cb 0.60 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 2kl3 h TRP 97 CO 0.07 0.26 -1.01 0.87 -1.03 0.00 0.00 178.44 177.60 2kl3 h LYS 98 N 0.76 0.13 -0.10 2.65 1.57 -0.42 -0.43 116.57 120.73 2kl3 h LYS 98 Ca 0.53 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 2kl3 h LYS 98 Cb 0.76 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2kl3 h LYS 98 CO -0.36 1.03 -0.37 0.00 -0.57 0.00 0.00 179.45 179.18 2kl3 h ALA 99 N 0.90 1.19 -0.01 3.86 0.00 0.52 -1.85 119.26 123.87 2kl3 h ALA 99 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kl3 h ALA 99 Cb 1.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2kl3 h ALA 99 CO 0.15 0.55 -0.03 0.44 0.00 0.00 0.00 179.25 180.36 2kl3 n ILE 100 N -4.06 0.00 -2.69 0.00 -5.35 -0.37 -4.96 119.36 101.94 2kl3 n ILE 100 Ca -0.01 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.26 2kl3 n ILE 100 Cb 0.44 -0.03 0.05 0.00 -1.74 0.00 0.00 39.64 38.36 2kl3 n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kl3 n GLY 101 N 1.13 -0.32 3.97 3.28 0.00 -0.70 -5.06 105.19 107.50 2kl3 n GLY 101 Ca 0.20 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 2kl3 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kl3 s GLY 102 N -3.40 1.78 -0.09 -0.02 0.00 -0.18 -5.03 107.32 100.38 2kl3 s GLY 102 Ca 0.22 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 2kl3 s GLY 102 CO 0.47 -0.99 1.88 2.56 0.00 0.00 0.00 173.10 177.02 2kl3 s PRO 103 N -4.75 3.87 0.40 2.90 0.04 -1.26 -4.87 135.00 131.34 2kl3 s PRO 103 Ca 0.56 2.21 0.07 0.00 0.04 0.00 0.00 61.00 63.88 2kl3 s PRO 103 Cb -0.10 -4.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 2kl3 s PRO 103 CO 0.39 -1.24 0.02 0.95 0.04 0.00 0.00 177.00 177.16 2kl3 s THR 104 N 5.30 2.09 0.26 1.26 -4.23 -1.26 -2.10 115.64 116.95 2kl3 s THR 104 Ca 0.84 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 2kl3 s THR 104 Cb -0.35 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 2kl3 s THR 104 CO 0.35 -0.03 0.39 -1.61 -0.54 0.00 0.00 174.62 173.19 2kl3 s GLU 105 N -3.73 1.54 0.00 3.99 2.02 0.22 -4.40 118.70 118.34 2kl3 s GLU 105 Ca 0.36 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2kl3 s GLU 105 Cb 0.08 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.73 2kl3 s GLU 105 CO 0.19 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.26 2kl3 n GLY 106 N -0.39 3.87 0.06 -1.39 0.00 -1.26 -0.31 105.19 105.77 2kl3 n GLY 106 Ca -0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.24 2kl3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kl3 h ILE 107 N 0.61 0.92 -0.03 -0.61 2.04 -0.35 -3.36 117.51 116.73 2kl3 h ILE 107 Ca 0.00 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.13 2kl3 h ILE 107 Cb 0.00 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2kl3 h ILE 107 CO 0.00 0.31 -0.19 0.40 0.00 0.00 0.00 178.15 178.67 2kl3 h ILE 108 N -1.00 1.15 0.00 -0.67 5.03 -1.22 -1.49 117.51 119.31 2kl3 h ILE 108 Ca -0.00 -0.70 0.00 0.00 -0.12 0.00 0.00 64.86 64.04 2kl3 h ILE 108 Cb 0.52 1.34 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 2kl3 h ILE 108 CO -0.00 0.20 0.00 -0.62 -0.68 0.00 0.00 178.15 177.05 2kl3 n GLU 109 N -4.30 0.02 -0.10 2.37 -0.58 -1.06 -1.45 120.64 115.54 2kl3 n GLU 109 Ca -0.02 0.29 0.05 0.00 -0.42 0.00 0.00 57.16 57.06 2kl3 n GLU 109 Cb 0.26 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.74 2kl3 n GLU 109 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kl3 n SER 110 N -1.31 2.50 -4.24 1.62 2.88 -0.56 -5.01 113.62 109.50 2kl3 n SER 110 Ca 0.01 -1.80 -0.29 0.00 -1.33 0.00 0.00 58.87 55.46 2kl3 n SER 110 Cb 0.01 -0.14 -0.16 0.00 -0.75 0.00 0.00 64.21 63.18 2kl3 n SER 110 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kl3 s ARG 111 N -0.95 1.97 0.07 -1.46 0.52 -0.53 -5.14 118.95 113.44 2kl3 s ARG 111 Ca 0.18 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2kl3 s ARG 111 Cb 0.10 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 2kl3 s ARG 111 CO 0.14 0.44 -0.13 0.95 0.02 0.00 0.00 175.30 176.71 2kl3 s THR 112 N -0.39 1.06 -0.79 0.02 -4.23 -1.26 -5.02 115.64 105.03 2kl3 s THR 112 Ca 0.05 -1.31 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 2kl3 s THR 112 Cb -0.10 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.71 2kl3 s THR 112 CO 0.00 -0.26 1.48 -2.16 -0.54 0.00 0.00 174.62 173.15 2kl3 s PRO 113 N -1.79 3.12 0.01 3.99 0.04 -1.26 -4.97 135.00 134.14 2kl3 s PRO 113 Ca -0.02 -0.26 -0.06 0.00 0.04 0.00 0.00 61.00 60.70 2kl3 s PRO 113 Cb -0.10 -4.53 -0.00 0.00 0.04 0.00 0.00 34.50 29.91 2kl3 s PRO 113 CO 0.02 -2.37 0.10 0.00 0.04 0.00 0.00 177.00 174.79 2kl3 s ALA 114 N 6.56 -0.21 0.00 8.56 0.00 -1.26 -5.12 121.76 130.30 2kl3 s ALA 114 Ca 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2kl3 s ALA 114 Cb -0.07 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2kl3 s ALA 114 CO 0.10 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2kl3 n GLY 115 N 1.36 2.21 3.27 0.00 0.00 -1.26 -5.17 105.19 105.61 2kl3 n GLY 115 Ca -0.22 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 2kl3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 116 N 0.00 -0.76 -0.06 4.61 0.00 -1.26 -5.18 121.76 119.11 2kl3 s ALA 116 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 2kl3 s ALA 116 Cb 0.00 0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2kl3 s ALA 116 CO 0.00 -0.46 0.65 0.34 0.00 0.00 0.00 175.76 176.29 2kl3 s ASP 117 N -2.20 -0.63 0.09 0.00 2.15 -1.26 -5.19 116.67 109.64 2kl3 s ASP 117 Ca -0.03 0.70 -0.21 0.00 0.43 0.00 0.00 52.55 53.45 2kl3 s ASP 117 Cb -0.00 0.56 0.07 0.00 -0.30 0.00 0.00 42.92 43.25 2kl3 s ASP 117 CO -0.05 -0.58 0.96 -0.90 -0.17 0.00 0.00 175.17 174.43 2kl3 n ASP 118 N 1.02 -1.30 -3.30 -0.34 5.75 -1.26 -5.05 116.55 112.07 2kl3 n ASP 118 Ca -0.19 -1.55 -0.16 0.00 -0.01 0.00 0.00 54.79 52.88 2kl3 n ASP 118 Cb 0.57 2.08 0.08 0.00 -1.03 0.00 0.00 41.12 42.82 2kl3 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kl3 n TYR 119 N -0.68 -2.23 0.12 2.11 9.36 -1.26 -4.92 117.16 119.65 2kl3 n TYR 119 Ca 0.00 0.88 -0.02 0.00 3.32 0.00 0.00 57.90 62.09 2kl3 n TYR 119 Cb 0.49 -4.66 0.07 0.00 -0.63 0.00 0.00 39.34 34.62 2kl3 n TYR 119 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2kl3 h ASN 120 N -1.55 0.00 -3.42 2.98 -0.73 -2.08 -3.46 115.58 107.32 2kl3 h ASN 120 Ca -0.58 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.02 2kl3 h ASN 120 Cb 1.32 0.00 0.13 0.00 0.27 0.00 0.00 38.32 40.04 2kl3 h ASN 120 CO 0.46 0.71 0.39 1.33 -0.37 0.00 0.00 177.43 179.95 2kl3 n VAL 121 N -3.54 2.62 -4.62 2.57 0.24 -1.26 -5.03 118.33 109.30 2kl3 n VAL 121 Ca -0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.55 2kl3 n VAL 121 Cb 0.73 -1.44 -0.16 0.00 -1.47 0.00 0.00 33.84 31.50 2kl3 n VAL 121 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kl3 s VAL 122 N -1.23 1.17 -0.23 3.34 0.11 -1.26 -5.13 120.40 117.16 2kl3 s VAL 122 Ca 0.63 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2kl3 s VAL 122 Cb -0.52 -1.05 0.08 0.00 -1.53 0.00 0.00 36.38 33.36 2kl3 s VAL 122 CO 0.57 0.36 0.11 -0.55 -3.33 0.00 0.00 175.10 172.25 2kl3 s SER 123 N 0.52 3.00 -0.05 3.54 0.15 -1.26 -5.11 113.70 114.49 2kl3 s SER 123 Ca -0.12 -0.98 -0.04 0.00 0.70 0.00 0.00 55.95 55.51 2kl3 s SER 123 Cb -0.15 -0.34 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2kl3 s SER 123 CO 0.03 -0.39 0.12 -0.13 1.20 0.00 0.00 173.24 174.08 2kl3 s ARG 124 N 2.08 0.12 -0.30 5.44 0.52 -1.26 -5.14 118.95 120.42 2kl3 s ARG 124 Ca 0.05 0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2kl3 s ARG 124 Cb -0.16 -0.01 0.15 0.00 0.52 0.00 0.00 34.95 35.45 2kl3 s ARG 124 CO -0.22 -0.06 0.37 -1.17 0.02 0.00 0.00 175.30 174.23 2kl3 s LEU 125 N 0.41 -0.56 -0.30 2.53 2.96 -1.26 -5.09 118.68 117.38 2kl3 s LEU 125 Ca -0.03 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.17 2kl3 s LEU 125 Cb -0.04 0.87 0.19 0.00 0.50 0.00 0.00 46.19 47.70 2kl3 s LEU 125 CO -0.02 -0.36 1.03 -0.70 -1.32 0.00 0.00 176.35 174.98 2kl3 s GLU 126 N 2.40 0.16 -0.42 1.98 2.12 -1.26 -5.12 118.70 118.56 2kl3 s GLU 126 Ca 0.10 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.65 2kl3 s GLU 126 Cb -0.13 0.07 0.18 0.00 0.26 0.00 0.00 34.13 34.51 2kl3 s GLU 126 CO -0.29 -0.30 0.59 -1.58 -0.54 0.00 0.00 175.26 173.14 2kl3 s HIS 127 N 2.93 -1.35 -0.30 5.30 2.46 -1.26 -5.13 115.29 117.94 2kl3 s HIS 127 Ca 0.27 -0.17 -0.11 0.00 0.47 0.00 0.00 55.06 55.51 2kl3 s HIS 127 Cb -0.02 0.14 0.17 0.00 -0.13 0.00 0.00 32.58 32.74 2kl3 s HIS 127 CO -0.23 -1.15 0.89 -1.58 -2.47 0.00 0.00 174.74 170.21 2kl3 s HIS 128 N 1.54 -0.89 -0.21 3.88 5.65 -1.26 -5.17 115.29 118.83 2kl3 s HIS 128 Ca 0.19 1.22 -0.10 0.00 0.25 0.00 0.00 55.06 56.62 2kl3 s HIS 128 Cb -0.05 0.42 0.08 0.00 -1.18 0.00 0.00 32.58 31.84 2kl3 s HIS 128 CO -0.06 -0.47 0.49 -1.58 -0.65 0.00 0.00 174.74 172.47 2kl3 s HIS 129 N 2.73 -0.80 -0.34 3.88 2.46 -1.26 -5.13 115.29 116.83 2kl3 s HIS 129 Ca 0.02 1.60 -0.00 0.00 0.47 0.00 0.00 55.06 57.15 2kl3 s HIS 129 Cb -0.10 0.39 0.11 0.00 -0.13 0.00 0.00 32.58 32.86 2kl3 s HIS 129 CO -0.16 -0.44 0.14 -1.58 -2.47 0.00 0.00 174.74 170.23 2kl3 s HIS 130 N 1.85 1.64 -0.69 3.88 2.46 -1.26 -5.02 115.29 118.15 2kl3 s HIS 130 Ca -0.07 -1.85 0.02 0.00 0.47 0.00 0.00 55.06 53.63 2kl3 s HIS 130 Cb -0.09 -1.66 0.36 0.00 -0.13 0.00 0.00 32.58 31.06 2kl3 s HIS 130 CO -0.15 -0.85 1.37 1.58 -2.47 0.00 0.00 174.74 174.22 2kl3 n HIS 131 N 4.50 3.42 -1.41 3.88 -0.00 -1.26 -5.39 115.22 118.97 2kl3 n HIS 131 Ca 0.01 -3.17 0.00 0.00 -0.00 0.00 0.00 57.72 54.57 2kl3 n HIS 131 Cb 0.40 -0.66 0.00 0.00 -0.00 0.00 0.00 29.99 29.72 2kl3 n HIS 131 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06