#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 3.84 0.18 2.12 0.41 -1.26 -4.99 118.70 119.00 2kl3 s GLU 2 Ca 0.00 0.38 -0.08 0.00 -0.41 0.00 0.00 54.97 54.86 2kl3 s GLU 2 Cb 0.00 -2.56 0.08 0.00 -1.78 0.00 0.00 34.13 29.87 2kl3 s GLU 2 CO 0.00 0.24 1.61 -1.00 -0.49 0.00 0.00 175.26 175.61 2kl3 h PRO 3 N 2.29 0.98 -3.83 0.39 0.13 -1.94 -3.40 132.00 126.62 2kl3 h PRO 3 Ca -0.47 -0.37 -0.55 0.00 -0.87 0.00 0.00 66.00 63.74 2kl3 h PRO 3 Cb 1.17 -0.06 -0.39 0.00 0.13 0.00 0.00 31.00 31.85 2kl3 h PRO 3 CO 0.67 1.04 -0.77 -0.65 -0.23 0.00 0.00 178.00 178.06 2kl3 s GLN 4 N -4.81 0.99 0.10 0.86 -0.21 -1.26 -2.46 119.66 112.87 2kl3 s GLN 4 Ca -0.11 -0.63 -0.11 0.00 0.02 0.00 0.00 55.36 54.53 2kl3 s GLN 4 Cb 0.13 -2.28 -0.06 0.00 1.00 0.00 0.00 33.01 31.80 2kl3 s GLN 4 CO 0.86 -0.63 0.45 0.45 -2.12 0.00 0.00 175.29 174.29 2kl3 s SER 5 N 1.69 6.69 0.33 5.90 0.15 -0.04 -4.83 113.70 123.59 2kl3 s SER 5 Ca -0.03 0.88 -0.21 0.00 0.70 0.00 0.00 55.95 57.29 2kl3 s SER 5 Cb -0.18 -2.21 -0.10 0.00 -1.71 0.00 0.00 66.02 61.83 2kl3 s SER 5 CO -0.08 0.14 0.86 -1.81 1.20 0.00 0.00 173.24 173.55 2kl3 s ASP 6 N -1.77 7.07 0.19 5.45 1.11 -1.26 -0.12 116.67 127.34 2kl3 s ASP 6 Ca 0.35 1.60 -0.13 0.00 0.18 0.00 0.00 52.55 54.55 2kl3 s ASP 6 Cb -0.14 -2.49 0.21 0.00 1.07 0.00 0.00 42.92 41.56 2kl3 s ASP 6 CO 0.19 -0.14 1.67 0.00 1.18 0.00 0.00 175.17 178.07 2kl3 h ALA 7 N 2.75 0.48 0.00 5.23 0.00 -1.93 -1.45 119.26 124.34 2kl3 h ALA 7 Ca -0.48 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2kl3 h ALA 7 Cb 1.19 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2kl3 h ALA 7 CO 0.64 -0.40 -0.26 1.12 0.00 0.00 0.00 179.25 180.35 2kl3 h HIS 8 N 0.09 0.00 -0.01 0.00 -0.00 -1.94 0.74 115.15 114.04 2kl3 h HIS 8 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2kl3 h HIS 8 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.82 2kl3 h HIS 8 CO -0.35 0.26 0.00 0.28 -0.00 0.00 0.00 177.93 178.13 2kl3 h VAL 9 N 0.00 1.07 -0.47 6.12 2.07 -1.66 0.12 116.25 123.50 2kl3 h VAL 9 Ca -0.00 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2kl3 h VAL 9 Cb 0.64 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2kl3 h VAL 9 CO 0.03 0.05 0.05 0.25 0.02 0.00 0.00 177.57 177.98 2kl3 h LEU 10 N -0.07 0.77 -0.13 2.57 5.85 -1.26 -2.51 115.31 120.52 2kl3 h LEU 10 Ca 0.00 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.47 2kl3 h LEU 10 Cb 0.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2kl3 h LEU 10 CO -0.00 0.85 -0.03 0.50 -0.34 0.00 0.00 178.44 179.43 2kl3 h LYS 11 N 0.66 0.01 -0.18 1.25 3.64 -0.70 -0.30 116.57 120.95 2kl3 h LYS 11 Ca 0.14 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2kl3 h LYS 11 Cb 0.43 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2kl3 h LYS 11 CO 0.01 0.01 -0.18 0.77 -2.27 0.00 0.00 179.45 177.79 2kl3 h SER 12 N 0.01 0.29 0.51 4.20 0.02 -0.77 -0.80 113.55 117.01 2kl3 h SER 12 Ca 0.06 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2kl3 h SER 12 Cb 0.09 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kl3 h SER 12 CO -0.13 0.50 -0.42 0.03 -1.14 0.00 0.00 176.83 175.66 2kl3 h ARG 13 N 0.28 0.00 0.06 3.45 3.08 -0.97 0.60 114.38 120.88 2kl3 h ARG 13 Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 2kl3 h ARG 13 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 2kl3 h ARG 13 CO 0.03 0.42 -0.75 1.25 -1.07 0.00 0.00 179.97 179.85 2kl3 h LEU 14 N 0.00 0.57 0.00 3.04 5.85 -0.10 -2.22 115.31 122.45 2kl3 h LEU 14 Ca -0.00 -0.82 -0.12 0.00 0.84 0.00 0.00 57.88 57.77 2kl3 h LEU 14 Cb 0.79 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2kl3 h LEU 14 CO 0.05 1.33 -0.68 -0.33 -0.34 0.00 0.00 178.44 178.48 2kl3 h GLU 15 N -0.13 0.00 0.00 1.25 5.08 -1.18 -3.42 114.58 116.18 2kl3 h GLU 15 Ca -0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 2kl3 h GLU 15 Cb 1.49 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 2kl3 h GLU 15 CO 0.15 0.97 -2.09 0.91 -1.00 0.00 0.00 179.01 177.95 2kl3 n TRP 16 N -4.52 0.00 0.00 4.33 7.02 0.16 -4.99 117.44 119.45 2kl3 n TRP 16 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 2kl3 n TRP 16 Cb 0.58 -0.73 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 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 1.80 0.05 3.37 6.99 0.00 0.15 -4.94 105.19 112.62 2kl3 n GLY 17 Ca -0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2kl3 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kl3 s GLU 18 N 0.00 0.44 -0.81 1.61 2.12 -0.88 -4.97 118.70 116.22 2kl3 s GLU 18 Ca 0.00 1.01 -0.25 0.00 0.36 0.00 0.00 54.97 56.09 2kl3 s GLU 18 Cb 0.00 0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.54 2kl3 s GLU 18 CO 0.00 -0.19 2.05 -2.14 -0.54 0.00 0.00 175.26 174.44 2kl3 s PRO 19 N 1.98 2.35 0.00 4.30 0.02 -1.26 -4.35 135.00 138.03 2kl3 s PRO 19 Ca -0.07 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.07 2kl3 s PRO 19 Cb -0.09 -4.86 0.00 0.00 0.02 0.00 0.00 34.50 29.56 2kl3 s PRO 19 CO -0.15 -3.48 0.00 0.00 -0.33 0.00 0.00 177.00 173.04 2kl3 n ALA 20 N 14.84 0.00 -2.79 -1.55 0.00 -1.26 -5.13 120.51 124.62 2kl3 n ALA 20 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 2kl3 n ALA 20 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 3.48 -0.11 0.00 -0.12 -1.26 -4.69 117.98 115.28 2kl3 s PHE 21 Ca 0.00 0.21 0.01 0.00 -0.05 0.00 0.00 56.93 57.10 2kl3 s PHE 21 Cb 0.00 -1.77 0.02 0.00 -0.63 0.00 0.00 43.02 40.64 2kl3 s PHE 21 CO 0.00 0.28 -0.13 0.99 -0.05 0.00 0.00 175.22 176.30 2kl3 s THR 22 N -2.12 1.39 -0.16 -4.49 2.01 -0.86 -5.03 115.64 106.38 2kl3 s THR 22 Ca 0.37 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 2kl3 s THR 22 Cb -0.10 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2kl3 s THR 22 CO 0.32 0.42 0.26 -0.63 -0.69 0.00 0.00 174.62 174.30 2kl3 s ILE 23 N 1.14 5.33 -0.16 1.82 1.09 -1.26 -0.09 121.20 129.07 2kl3 s ILE 23 Ca -0.04 0.47 -0.01 0.00 -1.10 0.00 0.00 60.65 59.97 2kl3 s ILE 23 Cb -0.14 -3.59 -0.01 0.00 -1.06 0.00 0.00 42.46 37.66 2kl3 s ILE 23 CO -0.03 0.41 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.34 2kl3 s LEU 24 N 0.35 2.67 -0.66 2.97 1.43 -0.23 -0.43 118.68 124.79 2kl3 s LEU 24 Ca 0.15 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 2kl3 s LEU 24 Cb -0.13 -1.62 0.09 0.00 0.03 0.00 0.00 46.19 44.56 2kl3 s LEU 24 CO 0.03 0.09 0.87 -0.62 0.23 0.00 0.00 176.35 176.95 2kl3 s ASP 25 N 0.79 6.22 -0.02 2.29 -1.08 -0.83 -2.00 116.67 122.05 2kl3 s ASP 25 Ca -0.04 -1.26 0.17 0.00 -0.52 0.00 0.00 52.55 50.90 2kl3 s ASP 25 Cb -0.15 -2.37 0.53 0.00 -1.46 0.00 0.00 42.92 39.47 2kl3 s ASP 25 CO 0.01 -1.28 1.43 1.33 0.52 0.00 0.00 175.17 177.18 2kl3 n VAL 26 N 5.72 0.90 0.01 1.11 0.24 -1.05 -3.26 118.33 122.00 2kl3 n VAL 26 Ca -0.04 -0.81 -0.00 0.00 -2.04 0.00 0.00 64.34 61.45 2kl3 n VAL 26 Cb 0.45 0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.02 -1.71 7.34 3.08 -1.84 -2.27 114.38 122.36 2kl3 h ARG 27 Ca 0.00 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.27 2kl3 h ARG 27 Cb 0.86 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.74 2kl3 h ARG 27 CO 0.03 -0.01 0.72 0.34 -1.07 0.00 0.00 179.97 179.98 2kl3 s ASP 28 N -2.51 -0.19 0.17 7.04 2.15 -1.26 -4.45 116.67 117.61 2kl3 s ASP 28 Ca -0.00 -0.02 -0.14 0.00 0.43 0.00 0.00 52.55 52.82 2kl3 s ASP 28 Cb 0.00 0.21 0.12 0.00 -0.30 0.00 0.00 42.92 42.96 2kl3 s ASP 28 CO 0.01 -0.35 1.75 -0.09 -0.17 0.00 0.00 175.17 176.32 2kl3 h ARG 29 N 2.00 0.33 0.35 4.34 9.65 -1.95 0.14 114.38 129.24 2kl3 h ARG 29 Ca -0.14 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.70 2kl3 h ARG 29 Cb 1.19 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2kl3 h ARG 29 CO 0.25 0.22 -0.17 0.66 2.80 0.00 0.00 179.97 183.73 2kl3 h SER 30 N 0.34 -0.40 -0.70 -3.80 4.64 -2.00 -2.85 113.55 108.78 2kl3 h SER 30 Ca 0.21 -0.14 0.11 0.00 -0.47 0.00 0.00 61.79 61.50 2kl3 h SER 30 Cb 0.19 0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 2kl3 h SER 30 CO -0.20 -0.06 0.47 0.74 -0.87 0.00 0.00 176.83 176.90 2kl3 h THR 31 N -0.77 0.89 -0.28 2.95 2.02 -1.91 0.31 112.91 116.12 2kl3 h THR 31 Ca -0.05 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 66.99 2kl3 h THR 31 Cb 0.51 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2kl3 h THR 31 CO 0.08 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.35 2kl3 h TYR 32 N 0.52 0.12 -0.69 3.16 3.20 -0.67 0.22 116.97 122.82 2kl3 h TYR 32 Ca 0.33 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 2kl3 h TYR 32 Cb 0.59 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2kl3 h TYR 32 CO -0.00 0.04 0.23 -0.91 -1.64 0.00 0.00 178.16 175.88 2kl3 h ASN 33 N 0.18 0.97 -0.25 -2.11 2.35 -0.58 -3.22 115.58 112.93 2kl3 h ASN 33 Ca 0.13 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2kl3 h ASN 33 Cb 0.12 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2kl3 h ASN 33 CO -0.16 0.90 0.12 0.44 -1.65 0.00 0.00 177.43 177.08 2kl3 h ASP 34 N 1.01 0.32 -0.40 5.81 3.32 0.18 0.11 116.42 126.78 2kl3 h ASP 34 Ca 0.23 -0.12 0.20 0.00 0.02 0.00 0.00 57.03 57.35 2kl3 h ASP 34 Cb 0.26 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 39.53 2kl3 h ASP 34 CO -0.01 0.35 -0.00 -0.83 -1.72 0.00 0.00 179.24 177.03 2kl3 s GLY 35 N -2.68 -0.73 0.21 2.75 0.00 0.00 0.33 107.32 107.22 2kl3 s GLY 35 Ca -0.13 2.26 0.09 0.00 0.00 0.00 0.00 44.72 46.94 2kl3 s GLY 35 CO 0.71 3.91 -0.16 -2.38 0.00 0.00 0.00 173.10 175.18 2kl3 s HIS 36 N 2.94 1.85 0.44 1.90 -3.43 0.74 -4.77 115.29 114.96 2kl3 s HIS 36 Ca 0.14 -0.50 -0.26 0.00 -0.80 0.00 0.00 55.06 53.64 2kl3 s HIS 36 Cb -0.07 -0.85 -0.08 0.00 -1.43 0.00 0.00 32.58 30.14 2kl3 s HIS 36 CO -0.18 0.43 1.40 0.42 -2.00 0.00 0.00 174.74 174.81 2kl3 s ILE 37 N -2.73 2.19 -0.12 -5.38 1.01 -1.26 0.01 121.20 114.92 2kl3 s ILE 37 Ca 0.23 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 2kl3 s ILE 37 Cb -0.02 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 2kl3 s ILE 37 CO 0.09 0.02 2.10 0.80 0.00 0.00 0.00 174.94 177.95 2kl3 n MET 38 N -0.10 2.25 -0.66 2.79 0.00 -0.98 -1.69 117.12 118.72 2kl3 n MET 38 Ca 0.05 0.73 0.00 0.00 -0.00 0.00 0.00 57.70 58.47 2kl3 n MET 38 Cb 0.42 -3.05 0.00 0.00 0.00 0.00 0.00 33.22 30.59 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 5.27 0.60 3.89 -5.12 0.00 -1.26 -5.03 105.19 103.54 2kl3 n GLY 39 Ca 0.27 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 2.89 0.06 4.61 0.00 -0.68 -4.68 121.76 121.96 2kl3 s ALA 40 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2kl3 s ALA 40 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2kl3 s ALA 40 CO 0.00 -1.22 0.14 -1.64 0.00 0.00 0.00 175.76 173.04 2kl3 s MET 41 N -5.37 3.15 -1.26 0.00 -1.94 0.43 -4.98 119.30 109.34 2kl3 s MET 41 Ca 0.59 -0.55 -0.15 0.00 -1.71 0.00 0.00 55.69 53.86 2kl3 s MET 41 Cb -0.11 -2.88 0.13 0.00 2.01 0.00 0.00 34.83 33.98 2kl3 s MET 41 CO 0.50 0.60 1.61 0.00 -0.01 0.00 0.00 175.02 177.72 2kl3 n ALA 42 N 0.47 4.00 -3.89 3.03 0.00 -1.26 -1.96 120.51 120.90 2kl3 n ALA 42 Ca -0.08 -4.11 -0.29 0.00 0.00 0.00 0.00 53.44 48.96 2kl3 n ALA 42 Cb 0.51 -3.24 -0.13 0.00 0.00 0.00 0.00 19.45 16.60 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 2.34 2.15 0.32 0.00 -1.94 -1.23 -4.99 119.30 115.94 2kl3 s MET 43 Ca 0.46 -2.94 -0.29 0.00 -1.71 0.00 0.00 55.69 51.21 2kl3 s MET 43 Cb 0.01 -3.25 -0.10 0.00 2.01 0.00 0.00 34.83 33.51 2kl3 s MET 43 CO 0.02 -1.21 1.25 -1.25 -0.01 0.00 0.00 175.02 173.82 2kl3 s PRO 44 N -0.84 4.43 0.58 2.03 0.04 -1.20 -3.49 135.00 136.55 2kl3 s PRO 44 Ca 0.22 2.11 0.29 0.00 0.04 0.00 0.00 61.00 63.66 2kl3 s PRO 44 Cb -0.14 -3.10 1.44 0.00 0.04 0.00 0.00 34.50 32.74 2kl3 s PRO 44 CO -0.09 -0.08 1.84 0.97 0.04 0.00 0.00 177.00 179.68 2kl3 h ILE 45 N 3.06 0.37 -0.20 0.56 2.10 -1.62 0.88 117.51 122.65 2kl3 h ILE 45 Ca -0.48 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.34 2kl3 h ILE 45 Cb 1.22 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2kl3 h ILE 45 CO 0.66 0.00 -0.32 1.05 -1.08 0.00 0.00 178.15 178.46 2kl3 h GLU 46 N 0.00 0.57 -0.08 2.19 4.11 -1.90 -3.31 114.58 116.16 2kl3 h GLU 46 Ca 0.29 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2kl3 h GLU 46 Cb 1.45 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2kl3 h GLU 46 CO -0.00 0.95 0.00 -3.47 0.07 0.00 0.00 179.01 176.56 2kl3 n ASP 47 N -4.32 2.96 -0.14 3.06 -0.08 0.16 -4.71 116.55 113.48 2kl3 n ASP 47 Ca -0.06 -1.95 -0.09 0.00 -1.51 0.00 0.00 54.79 51.18 2kl3 n ASP 47 Cb 0.48 -0.03 -0.04 0.00 2.34 0.00 0.00 41.12 43.87 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2kl3 h LEU 48 N 4.42 -1.38 0.03 -2.67 5.85 0.40 0.88 115.31 122.83 2kl3 h LEU 48 Ca 0.00 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2kl3 h LEU 48 Cb 0.94 0.61 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 2kl3 h LEU 48 CO 0.00 -0.36 -0.20 0.58 -0.34 0.00 0.00 178.44 178.12 2kl3 h VAL 49 N -0.30 0.53 -0.36 1.05 2.07 -1.85 -0.09 116.25 117.30 2kl3 h VAL 49 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 2kl3 h VAL 49 Cb 0.58 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2kl3 h VAL 49 CO -0.59 0.00 0.05 0.44 0.02 0.00 0.00 177.57 177.50 2kl3 h ASP 50 N -0.34 0.58 0.31 0.57 5.19 -1.83 -1.25 116.42 119.64 2kl3 h ASP 50 Ca 0.05 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2kl3 h ASP 50 Cb 0.40 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 2kl3 h ASP 50 CO -0.17 0.69 -0.28 0.03 -3.12 0.00 0.00 179.24 176.40 2kl3 h ARG 51 N 0.44 -0.59 -0.59 3.56 2.47 -0.58 -1.99 114.38 117.10 2kl3 h ARG 51 Ca 0.11 0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 2kl3 h ARG 51 Cb 0.37 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2kl3 h ARG 51 CO 0.01 -0.39 0.26 0.00 0.56 0.00 0.00 179.97 180.41 2kl3 h ALA 52 N -0.03 0.76 0.00 0.04 0.00 -1.03 -2.61 119.26 116.39 2kl3 h ALA 52 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kl3 h ALA 52 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kl3 h ALA 52 CO -0.04 0.35 -0.02 1.03 0.00 0.00 0.00 179.25 180.57 2kl3 h SER 53 N 0.81 0.00 1.51 0.00 0.87 -1.11 0.39 113.55 116.02 2kl3 h SER 53 Ca 0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2kl3 h SER 53 Cb 0.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2kl3 h SER 53 CO -0.02 0.02 -0.02 -1.28 -0.53 0.00 0.00 176.83 174.99 2kl3 h SER 54 N 0.00 0.00 0.00 6.23 0.87 -0.96 -3.41 113.55 116.28 2kl3 h SER 54 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kl3 h SER 54 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2kl3 h SER 54 CO 0.00 0.02 -0.19 -1.20 -0.53 0.00 0.00 176.83 174.94 2kl3 n SER 55 N -3.11 0.12 -4.78 6.23 7.64 -0.85 -5.12 113.62 113.75 2kl3 n SER 55 Ca 0.02 0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 2kl3 n SER 55 Cb 0.43 0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 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 -6.11 3.57 0.33 -3.43 1.43 0.13 -5.04 118.68 109.56 2kl3 s LEU 56 Ca 0.00 2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.99 2kl3 s LEU 56 Cb 0.00 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 2kl3 s LEU 56 CO 0.00 -1.37 0.75 -0.70 0.23 0.00 0.00 176.35 175.26 2kl3 s GLU 57 N -3.72 4.01 0.26 1.70 2.56 -1.26 -4.69 118.70 117.55 2kl3 s GLU 57 Ca 0.69 0.69 0.04 0.00 0.00 0.00 0.00 54.97 56.39 2kl3 s GLU 57 Cb -0.21 -2.41 0.32 0.00 2.00 0.00 0.00 34.13 33.83 2kl3 s GLU 57 CO 0.34 0.14 1.62 0.87 -0.56 0.00 0.00 175.26 177.67 2kl3 h LYS 58 N 2.22 0.28 -0.07 4.30 1.79 -1.96 -2.95 116.57 120.17 2kl3 h LYS 58 Ca -0.48 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 57.83 2kl3 h LYS 58 Cb 1.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2kl3 h LYS 58 CO 0.65 0.73 0.00 -1.13 -1.08 0.00 0.00 179.45 178.62 2kl3 n SER 59 N -3.95 1.82 -4.71 0.86 3.41 -1.26 0.11 113.62 109.90 2kl3 n SER 59 Ca -0.02 -1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 56.54 2kl3 n SER 59 Cb 0.55 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kl3 s ARG 60 N -1.93 4.45 -0.34 4.33 6.06 -1.12 -4.57 118.95 125.84 2kl3 s ARG 60 Ca 0.35 1.68 -0.28 0.00 -2.50 0.00 0.00 55.73 54.99 2kl3 s ARG 60 Cb 0.20 -3.39 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 2kl3 s ARG 60 CO 0.31 -0.23 2.08 0.16 -2.50 0.00 0.00 175.30 175.12 2kl3 s ASP 61 N 1.09 5.40 -0.14 -2.12 -4.77 -1.26 -4.28 116.67 110.60 2kl3 s ASP 61 Ca 0.57 1.42 -0.01 0.00 -3.30 0.00 0.00 52.55 51.23 2kl3 s ASP 61 Cb -0.27 -2.52 -0.01 0.00 -1.09 0.00 0.00 42.92 39.03 2kl3 s ASP 61 CO 0.28 -2.08 -0.12 -0.63 0.70 0.00 0.00 175.17 173.33 2kl3 s ILE 62 N 8.60 3.13 -0.30 2.11 1.01 -0.01 -2.03 121.20 133.70 2kl3 s ILE 62 Ca 0.90 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 2kl3 s ILE 62 Cb -0.25 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2kl3 s ILE 62 CO 0.32 0.51 0.15 -0.31 0.00 0.00 0.00 174.94 175.61 2kl3 s TYR 63 N 0.46 3.17 -0.13 3.97 2.02 0.86 -0.55 117.35 127.16 2kl3 s TYR 63 Ca -0.09 -0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 2kl3 s TYR 63 Cb -0.16 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 2kl3 s TYR 63 CO 0.04 -0.43 0.04 0.08 -1.57 0.00 0.00 175.55 173.71 2kl3 s VAL 64 N 1.62 4.59 -0.04 0.71 1.01 -0.07 -1.07 120.40 127.16 2kl3 s VAL 64 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2kl3 s VAL 64 Cb -0.17 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2kl3 s VAL 64 CO 0.06 0.56 -0.03 -0.72 0.00 0.00 0.00 175.10 174.96 2kl3 s TYR 65 N -0.42 0.61 0.00 5.22 1.13 -0.84 -0.75 117.35 122.30 2kl3 s TYR 65 Ca 0.09 -0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.61 2kl3 s TYR 65 Cb -0.12 -0.57 0.00 0.00 -1.10 0.00 0.00 41.96 40.17 2kl3 s TYR 65 CO 0.02 -0.16 0.00 0.41 -2.51 0.00 0.00 175.55 173.31 2kl3 n GLY 66 N 3.99 3.94 0.09 5.49 0.00 -1.26 -2.52 105.19 114.91 2kl3 n GLY 66 Ca -0.25 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.49 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 0.63 0.06 -1.29 4.61 0.00 -1.92 -3.35 119.26 118.01 2kl3 h ALA 67 Ca 0.00 -0.34 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 2kl3 h ALA 67 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 2kl3 h ALA 67 CO 0.00 -0.06 -0.55 0.20 0.00 0.00 0.00 179.25 178.84 2kl3 s GLY 68 N -3.51 2.63 0.23 0.00 0.00 -1.26 -4.72 107.32 100.69 2kl3 s GLY 68 Ca -0.16 -1.33 -0.06 0.00 0.00 0.00 0.00 44.72 43.18 2kl3 s GLY 68 CO 0.71 -2.01 1.81 -0.55 0.00 0.00 0.00 173.10 173.06 2kl3 h ASP 69 N 1.70 0.62 0.18 1.64 5.19 -1.92 -1.68 116.42 122.15 2kl3 h ASP 69 Ca -0.41 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.05 2kl3 h ASP 69 Cb 1.27 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 2kl3 h ASP 69 CO 0.70 0.36 -0.25 -0.08 -3.12 0.00 0.00 179.24 176.86 2kl3 h GLU 70 N 0.74 -0.47 -0.75 3.56 4.57 -1.99 -0.37 114.58 119.87 2kl3 h GLU 70 Ca 0.37 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.52 2kl3 h GLU 70 Cb 0.32 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2kl3 h GLU 70 CO -0.24 -0.31 0.24 0.37 -1.18 0.00 0.00 179.01 177.89 2kl3 h GLN 71 N -0.49 1.17 0.40 1.92 4.15 -1.91 -0.72 115.11 119.62 2kl3 h GLN 71 Ca 0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 2kl3 h GLN 71 Cb 0.48 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2kl3 h GLN 71 CO -0.10 0.98 -0.19 1.15 -1.93 0.00 0.00 178.83 178.74 2kl3 h THR 72 N 1.12 0.61 -0.36 2.39 2.02 -1.10 -2.05 112.91 115.55 2kl3 h THR 72 Ca 0.24 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 2kl3 h THR 72 Cb 0.30 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2kl3 h THR 72 CO -0.01 0.04 -0.34 -1.28 0.37 0.00 0.00 175.52 174.31 2kl3 h SER 73 N -0.66 0.86 -0.47 4.18 0.87 -1.01 -2.77 113.55 114.54 2kl3 h SER 73 Ca -0.05 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 2kl3 h SER 73 Cb 0.48 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2kl3 h SER 73 CO 0.09 1.12 -0.07 -0.61 -0.53 0.00 0.00 176.83 176.83 2kl3 h GLN 74 N 0.69 0.93 -0.37 2.24 4.15 -1.16 -1.74 115.11 119.84 2kl3 h GLN 74 Ca 0.07 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 2kl3 h GLN 74 Cb 0.89 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 2kl3 h GLN 74 CO 0.08 0.96 0.16 0.00 -1.93 0.00 0.00 178.83 178.10 2kl3 h ALA 75 N 1.08 0.49 -0.91 3.38 0.00 -1.31 -2.13 119.26 119.85 2kl3 h ALA 75 Ca 0.14 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2kl3 h ALA 75 Cb 0.59 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 2kl3 h ALA 75 CO 0.04 0.08 0.52 0.28 0.00 0.00 0.00 179.25 180.16 2kl3 h VAL 76 N 0.46 0.81 -0.20 0.00 2.07 -1.24 -1.15 116.25 117.00 2kl3 h VAL 76 Ca 0.13 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2kl3 h VAL 76 Cb 0.17 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 2kl3 h VAL 76 CO -0.01 0.14 -0.11 -1.13 0.02 0.00 0.00 177.57 176.48 2kl3 h ASN 77 N 0.78 -0.37 -0.85 0.57 -1.24 -0.84 -1.35 115.58 112.27 2kl3 h ASN 77 Ca 0.48 0.09 0.04 0.00 0.71 0.00 0.00 56.30 57.61 2kl3 h ASN 77 Cb 0.59 0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.78 2kl3 h ASN 77 CO -0.32 -0.15 0.54 -0.07 -1.29 0.00 0.00 177.43 176.15 2kl3 h LEU 78 N -0.10 0.88 0.08 0.34 3.38 -0.65 0.19 115.31 119.44 2kl3 h LEU 78 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kl3 h LEU 78 Cb 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kl3 h LEU 78 CO -0.26 0.60 -0.04 -0.07 0.09 0.00 0.00 178.44 178.76 2kl3 h LEU 79 N 1.03 -0.10 -1.47 1.67 3.38 -0.93 -0.32 115.31 118.58 2kl3 h LEU 79 Ca 0.34 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2kl3 h LEU 79 Cb 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2kl3 h LEU 79 CO -0.13 0.15 -0.27 0.08 0.09 0.00 0.00 178.44 178.36 2kl3 h ARG 80 N -0.34 0.00 0.00 1.13 0.11 -1.04 0.55 114.38 114.79 2kl3 h ARG 80 Ca -0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 2kl3 h ARG 80 Cb 0.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2kl3 h ARG 80 CO 0.02 0.27 -0.23 1.03 0.10 0.00 0.00 179.97 181.16 2kl3 h SER 81 N 0.00 0.00 0.10 0.08 0.87 -0.46 -2.21 113.55 111.92 2kl3 h SER 81 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kl3 h SER 81 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kl3 h SER 81 CO 0.04 0.23 -0.03 0.00 -0.53 0.00 0.00 176.83 176.54 2kl3 n ALA 82 N -2.29 2.67 0.00 6.23 0.00 0.10 -4.91 120.51 122.30 2kl3 n ALA 82 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2kl3 n ALA 82 Cb 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.13 2.12 3.52 0.00 0.00 -0.83 -5.04 105.19 106.10 2kl3 n GLY 83 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2kl3 n GLY 83 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kl3 n PHE 84 N -1.33 1.52 0.14 1.61 3.72 -0.66 -4.86 117.46 117.61 2kl3 n PHE 84 Ca 0.00 0.14 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 2kl3 n PHE 84 Cb 0.00 -2.60 -0.08 0.00 -0.94 0.00 0.00 39.48 35.86 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2kl3 h GLU 85 N 15.44 -0.32 -3.72 -1.08 5.08 0.51 -3.34 114.58 127.15 2kl3 h GLU 85 Ca -0.27 0.02 -0.77 0.00 -1.00 0.00 0.00 59.36 57.34 2kl3 h GLU 85 Cb 1.28 0.07 -0.28 0.00 0.50 0.00 0.00 28.75 30.32 2kl3 h GLU 85 CO 1.09 -0.07 0.08 -1.01 -1.00 0.00 0.00 179.01 178.10 2kl3 s HIS 86 N -5.30 3.80 -0.02 4.33 3.76 -1.04 -5.02 115.29 115.80 2kl3 s HIS 86 Ca -0.15 -2.28 0.03 0.00 -0.15 0.00 0.00 55.06 52.51 2kl3 s HIS 86 Cb 0.03 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.02 2kl3 s HIS 86 CO 0.61 -0.95 -0.09 0.08 -0.85 0.00 0.00 174.74 173.54 2kl3 s VAL 87 N -0.20 0.77 0.03 -0.90 1.01 -1.26 -0.83 120.40 119.02 2kl3 s VAL 87 Ca 0.20 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2kl3 s VAL 87 Cb -0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2kl3 s VAL 87 CO -0.08 0.24 -0.15 -0.55 0.00 0.00 0.00 175.10 174.55 2kl3 s SER 88 N 0.08 1.80 -0.15 3.32 0.15 0.29 -4.85 113.70 114.34 2kl3 s SER 88 Ca -0.01 -0.43 -0.17 0.00 0.70 0.00 0.00 55.95 56.04 2kl3 s SER 88 Cb -0.07 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2kl3 s SER 88 CO 0.00 0.08 0.43 -1.83 1.20 0.00 0.00 173.24 173.12 2kl3 s GLU 89 N -0.99 4.29 -0.50 5.44 -1.05 -1.03 -0.89 118.70 123.97 2kl3 s GLU 89 Ca 0.03 0.33 -0.29 0.00 -0.15 0.00 0.00 54.97 54.90 2kl3 s GLU 89 Cb -0.08 -3.46 0.03 0.00 -0.44 0.00 0.00 34.13 30.18 2kl3 s GLU 89 CO 0.01 0.12 1.19 -1.17 0.95 0.00 0.00 175.26 176.36 2kl3 s LEU 90 N 0.79 3.57 0.13 1.83 2.96 0.07 -0.86 118.68 127.18 2kl3 s LEU 90 Ca 0.23 0.40 -0.32 0.00 -0.22 0.00 0.00 54.13 54.21 2kl3 s LEU 90 Cb -0.15 -3.43 -0.12 0.00 0.50 0.00 0.00 46.19 42.99 2kl3 s LEU 90 CO 0.08 -1.35 1.75 0.29 -1.32 0.00 0.00 176.35 175.80 2kl3 n LYS 91 N 8.06 2.56 0.00 1.98 5.02 0.83 -3.47 118.16 133.14 2kl3 n LYS 91 Ca 0.12 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 2kl3 n LYS 91 Cb 0.49 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 2kl3 n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kl3 n GLY 92 N 3.97 1.85 0.00 0.72 0.00 -1.26 -4.15 105.19 106.32 2kl3 n GLY 92 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.26 0.17 -0.02 0.00 -1.23 -4.66 105.19 99.71 2kl3 n GLY 93 Ca 0.00 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.29 -1.41 0.99 5.85 -1.85 -1.56 115.31 117.05 2kl3 h LEU 94 Ca 0.00 -0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.83 2kl3 h LEU 94 Cb 0.00 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 2kl3 h LEU 94 CO 0.00 -0.11 0.58 0.00 -0.34 0.00 0.00 178.44 178.58 2kl3 h ALA 95 N 0.27 2.05 -0.05 1.25 0.00 -1.92 0.14 119.26 121.00 2kl3 h ALA 95 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kl3 h ALA 95 Cb 0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kl3 h ALA 95 CO 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 179.25 178.98 2kl3 h ALA 96 N 1.61 0.06 -0.96 0.00 0.00 -1.76 0.42 119.26 118.64 2kl3 h ALA 96 Ca 0.46 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.37 2kl3 h ALA 96 Cb 1.00 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2kl3 h ALA 96 CO -0.20 -0.29 0.61 2.35 0.00 0.00 0.00 179.25 181.72 2kl3 h TRP 97 N -0.18 0.99 0.08 0.00 2.91 -0.13 -1.84 115.95 117.77 2kl3 h TRP 97 Ca 0.01 0.03 -0.27 0.00 1.13 0.00 0.00 58.89 59.80 2kl3 h TRP 97 Cb 0.29 -0.31 0.01 0.00 -0.51 0.00 0.00 29.16 28.64 2kl3 h TRP 97 CO 0.02 0.36 -1.13 0.87 -1.03 0.00 0.00 178.44 177.52 2kl3 h LYS 98 N 0.83 0.46 -0.54 2.65 1.57 -0.61 0.21 116.57 121.14 2kl3 h LYS 98 Ca 0.49 -0.60 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2kl3 h LYS 98 Cb 0.65 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 2kl3 h LYS 98 CO -0.25 1.24 0.15 0.00 -0.57 0.00 0.00 179.45 180.02 2kl3 h ALA 99 N 0.53 1.26 0.00 3.86 0.00 0.41 -0.53 119.26 124.78 2kl3 h ALA 99 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kl3 h ALA 99 Cb 1.80 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2kl3 h ALA 99 CO 0.20 0.52 0.00 0.44 0.00 0.00 0.00 179.25 180.42 2kl3 n ILE 100 N -4.29 0.00 -2.72 0.00 -5.35 -0.75 -4.88 119.36 101.37 2kl3 n ILE 100 Ca 0.04 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.45 2kl3 n ILE 100 Cb 0.21 -0.23 0.02 0.00 -1.74 0.00 0.00 39.64 37.89 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 0.71 0.45 3.82 3.28 0.00 -0.21 -5.04 105.19 108.21 2kl3 n GLY 101 Ca 0.11 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.04 2.43 0.01 -0.02 0.00 0.72 -5.01 107.32 102.42 2kl3 s GLY 102 Ca 0.15 0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.85 2kl3 s GLY 102 CO 0.18 0.56 1.50 -4.14 0.00 0.00 0.00 173.10 171.20 2kl3 s PRO 103 N -2.91 4.24 0.10 2.90 0.02 -1.26 -4.66 135.00 133.43 2kl3 s PRO 103 Ca 0.57 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.76 2kl3 s PRO 103 Cb -0.11 -3.64 -0.03 0.00 0.02 0.00 0.00 34.50 30.74 2kl3 s PRO 103 CO 0.16 -0.66 -0.21 0.95 -0.33 0.00 0.00 177.00 176.91 2kl3 s THR 104 N 2.72 1.75 0.47 0.99 -4.23 -1.26 -2.32 115.64 113.76 2kl3 s THR 104 Ca 0.68 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 2kl3 s THR 104 Cb -0.34 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 2kl3 s THR 104 CO 0.28 -0.04 0.21 -1.61 -0.54 0.00 0.00 174.62 172.92 2kl3 s GLU 105 N -1.89 2.23 0.00 3.99 2.02 0.10 -4.79 118.70 120.36 2kl3 s GLU 105 Ca 0.07 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 53.05 2kl3 s GLU 105 Cb -0.10 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2kl3 s GLU 105 CO 0.04 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.42 2kl3 n GLY 106 N -1.40 3.55 0.13 -1.39 0.00 -1.26 -0.19 105.19 104.64 2kl3 n GLY 106 Ca -0.05 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 2kl3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kl3 n ILE 107 N -1.95 1.58 0.20 -0.61 5.41 0.38 -4.41 119.36 119.96 2kl3 n ILE 107 Ca 0.00 -0.43 0.08 0.00 1.00 0.00 0.00 62.75 63.40 2kl3 n ILE 107 Cb 0.00 -1.74 0.33 0.00 -0.71 0.00 0.00 39.64 37.52 2kl3 n ILE 107 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2kl3 h ILE 108 N -0.45 0.57 -0.23 1.39 5.03 -0.32 -3.17 117.51 120.33 2kl3 h ILE 108 Ca -0.53 -1.37 0.07 0.00 -0.12 0.00 0.00 64.86 62.91 2kl3 h ILE 108 Cb 1.74 1.94 -0.01 0.00 -3.03 0.00 0.00 36.82 37.46 2kl3 h ILE 108 CO -0.16 0.26 0.39 -0.33 -0.68 0.00 0.00 178.15 177.63 2kl3 h GLU 109 N 0.00 0.00 -0.38 2.37 4.39 -1.62 0.25 114.58 119.59 2kl3 h GLU 109 Ca -0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2kl3 h GLU 109 Cb 0.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2kl3 h GLU 109 CO 0.03 0.00 0.26 1.03 -1.16 0.00 0.00 179.01 179.17 2kl3 h SER 110 N 0.00 0.25 -3.30 1.42 0.87 -1.81 -3.33 113.55 107.65 2kl3 h SER 110 Ca 0.11 -0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.94 2kl3 h SER 110 Cb 0.88 -0.06 -0.29 0.00 -0.44 0.00 0.00 62.40 62.50 2kl3 h SER 110 CO -0.00 0.17 -0.39 -0.13 -0.53 0.00 0.00 176.83 175.95 2kl3 s ARG 111 N -5.29 2.53 -0.28 2.24 3.00 0.89 -5.08 118.95 116.96 2kl3 s ARG 111 Ca -0.07 -1.72 -0.22 0.00 0.00 0.00 0.00 55.73 53.71 2kl3 s ARG 111 Cb 0.18 -3.94 -0.01 0.00 0.00 0.00 0.00 34.95 31.19 2kl3 s ARG 111 CO 0.72 -1.17 0.73 0.95 0.00 0.00 0.00 175.30 176.53 2kl3 s THR 112 N 1.39 4.87 -1.44 0.02 -4.23 -1.25 -4.98 115.64 110.02 2kl3 s THR 112 Ca 0.05 1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 61.64 2kl3 s THR 112 Cb -0.26 -4.06 0.06 0.00 1.34 0.00 0.00 72.50 69.57 2kl3 s THR 112 CO -0.00 -0.12 2.23 -0.81 -0.54 0.00 0.00 174.62 175.38 2kl3 n PRO 113 N 5.99 3.14 -0.02 3.99 -0.05 -1.26 -4.69 135.00 142.11 2kl3 n PRO 113 Ca 0.02 -2.78 0.13 0.00 -0.05 0.00 0.00 63.50 60.83 2kl3 n PRO 113 Cb 0.48 -3.15 0.44 0.00 -0.05 0.00 0.00 33.50 31.22 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kl3 n ALA 114 N 5.27 2.55 -1.59 0.55 0.00 -1.26 -4.71 120.51 121.31 2kl3 n ALA 114 Ca 0.52 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 2kl3 n ALA 114 Cb 0.36 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 2kl3 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 115 N 1.20 2.63 3.81 0.00 0.00 -1.26 -4.94 105.19 106.63 2kl3 n GLY 115 Ca 0.18 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 5.77 3.24 0.00 4.61 0.00 -1.26 -5.09 121.76 129.03 2kl3 s ALA 116 Ca 0.57 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2kl3 s ALA 116 Cb 0.10 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2kl3 s ALA 116 CO 0.08 0.23 0.00 -0.25 0.00 0.00 0.00 175.76 175.82 2kl3 n ASP 117 N 0.14 0.01 -4.68 0.00 8.00 -1.26 -5.08 116.55 113.68 2kl3 n ASP 117 Ca 0.02 -0.92 -0.41 0.00 0.71 0.00 0.00 54.79 54.19 2kl3 n ASP 117 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 2kl3 n ASP 117 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kl3 s ASP 118 N -1.00 6.95 0.00 -2.24 1.11 -1.26 -4.99 116.67 115.23 2kl3 s ASP 118 Ca 0.00 1.16 0.00 0.00 0.18 0.00 0.00 52.55 53.89 2kl3 s ASP 118 Cb 0.00 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.55 2kl3 s ASP 118 CO 0.00 -0.31 0.21 0.00 1.18 0.00 0.00 175.17 176.24 2kl3 n TYR 119 N 4.82 0.00 -1.03 4.23 9.36 -1.26 -4.90 117.16 128.38 2kl3 n TYR 119 Ca 0.02 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.21 2kl3 n TYR 119 Cb 0.50 -0.31 -0.01 0.00 -0.63 0.00 0.00 39.34 38.88 2kl3 n TYR 119 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kl3 n ASN 120 N -1.44 -5.49 -4.53 2.98 4.13 -1.26 -4.92 115.26 104.73 2kl3 n ASN 120 Ca 0.00 0.08 -0.43 0.00 1.68 0.00 0.00 54.58 55.91 2kl3 n ASN 120 Cb 0.00 -3.48 -0.05 0.00 -1.54 0.00 0.00 39.78 34.71 2kl3 n ASN 120 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2kl3 s VAL 121 N -1.20 4.62 -0.64 2.41 1.01 -1.26 -4.94 120.40 120.41 2kl3 s VAL 121 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2kl3 s VAL 121 Cb 0.00 -4.36 0.44 0.00 0.00 0.00 0.00 36.38 32.46 2kl3 s VAL 121 CO 0.00 -0.79 2.03 1.33 0.00 0.00 0.00 175.10 177.68 2kl3 n VAL 122 N 6.11 3.56 -1.56 2.92 0.24 -1.26 -4.95 118.33 123.40 2kl3 n VAL 122 Ca 0.02 -2.81 -0.13 0.00 -2.04 0.00 0.00 64.34 59.37 2kl3 n VAL 122 Cb 0.48 -1.16 -0.08 0.00 -1.47 0.00 0.00 33.84 31.61 2kl3 n VAL 122 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kl3 n SER 123 N -0.83 1.61 -3.34 -1.34 7.64 -1.26 -4.81 113.62 111.29 2kl3 n SER 123 Ca 0.60 -1.69 -0.10 0.00 1.01 0.00 0.00 58.87 58.70 2kl3 n SER 123 Cb 0.68 -1.65 -0.07 0.00 -1.01 0.00 0.00 64.21 62.16 2kl3 n SER 123 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kl3 s ARG 124 N 8.79 0.37 -0.32 1.43 3.52 -1.26 -5.11 118.95 126.37 2kl3 s ARG 124 Ca 0.91 0.31 0.02 0.00 -0.13 0.00 0.00 55.73 56.84 2kl3 s ARG 124 Cb -0.13 -0.43 0.19 0.00 -1.56 0.00 0.00 34.95 33.02 2kl3 s ARG 124 CO 0.11 -0.83 0.73 -1.17 -0.81 0.00 0.00 175.30 173.33 2kl3 s LEU 125 N 2.53 -1.26 -0.12 -0.88 2.96 -1.26 -5.15 118.68 115.49 2kl3 s LEU 125 Ca 0.11 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 2kl3 s LEU 125 Cb -0.14 1.74 0.05 0.00 0.50 0.00 0.00 46.19 48.34 2kl3 s LEU 125 CO -0.23 -0.21 0.29 -1.83 -1.32 0.00 0.00 176.35 173.05 2kl3 s GLU 126 N 2.62 0.26 -0.23 1.98 1.03 -1.26 -5.14 118.70 117.96 2kl3 s GLU 126 Ca 0.15 0.58 -0.04 0.00 0.03 0.00 0.00 54.97 55.69 2kl3 s GLU 126 Cb -0.06 -0.07 0.09 0.00 -0.80 0.00 0.00 34.13 33.29 2kl3 s GLU 126 CO -0.21 -0.15 0.17 -1.01 -1.33 0.00 0.00 175.26 172.73 2kl3 s HIS 127 N 1.19 -0.03 -0.11 4.83 3.76 -1.26 -5.12 115.29 118.54 2kl3 s HIS 127 Ca -0.08 -0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 54.49 2kl3 s HIS 127 Cb -0.09 -0.60 0.04 0.00 1.11 0.00 0.00 32.58 33.04 2kl3 s HIS 127 CO -0.09 -0.68 0.29 -1.01 -0.85 0.00 0.00 174.74 172.40 2kl3 s HIS 128 N 2.23 -0.35 -0.00 1.40 3.76 -1.26 -5.18 115.29 115.89 2kl3 s HIS 128 Ca 0.06 0.83 -0.08 0.00 -0.15 0.00 0.00 55.06 55.72 2kl3 s HIS 128 Cb -0.16 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.64 2kl3 s HIS 128 CO -0.20 -0.20 0.16 -1.58 -0.85 0.00 0.00 174.74 172.06 2kl3 s HIS 129 N 0.66 0.01 0.00 1.40 2.46 -1.26 -5.16 115.29 113.40 2kl3 s HIS 129 Ca -0.04 -0.07 0.08 0.00 0.47 0.00 0.00 55.06 55.50 2kl3 s HIS 129 Cb -0.05 -0.03 -0.02 0.00 -0.13 0.00 0.00 32.58 32.35 2kl3 s HIS 129 CO -0.04 -0.29 -0.24 -1.01 -2.47 0.00 0.00 174.74 170.69 2kl3 s HIS 130 N -1.31 2.15 -0.16 3.88 3.76 -1.26 -5.12 115.29 117.23 2kl3 s HIS 130 Ca -0.14 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 2kl3 s HIS 130 Cb -0.07 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.27 2kl3 s HIS 130 CO 0.02 0.01 1.02 -1.58 -0.85 0.00 0.00 174.74 173.36 2kl3 s HIS 131 N -0.64 3.43 -2.00 1.40 2.46 -1.26 -5.38 115.29 113.30 2kl3 s HIS 131 Ca 0.10 1.54 0.11 0.00 0.47 0.00 0.00 55.06 57.27 2kl3 s HIS 131 Cb -0.09 -3.23 0.63 0.00 -0.13 0.00 0.00 32.58 29.76 2kl3 s HIS 131 CO 0.00 -0.34 1.07 -2.39 -2.47 0.00 0.00 174.74 170.61