#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 2.90 0.56 3.17 2.02 -1.26 -4.91 118.70 121.17 2kl3 s GLU 2 Ca 0.00 1.55 0.24 0.00 0.02 0.00 0.00 54.97 56.78 2kl3 s GLU 2 Cb 0.00 -1.95 1.53 0.00 0.10 0.00 0.00 34.13 33.81 2kl3 s GLU 2 CO 0.00 -1.20 2.14 -1.35 0.02 0.00 0.00 175.26 174.87 2kl3 h PRO 3 N 0.42 0.00 -5.73 0.39 0.11 -1.98 -3.40 132.00 121.81 2kl3 h PRO 3 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2kl3 h PRO 3 Cb 1.26 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 2kl3 h PRO 3 CO 0.54 0.00 -0.83 -0.65 -0.21 0.00 0.00 178.00 176.85 2kl3 s GLN 4 N -4.84 1.36 -0.05 1.05 -0.21 -1.26 -0.75 119.66 114.97 2kl3 s GLN 4 Ca -0.05 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.64 2kl3 s GLN 4 Cb 0.16 -1.36 0.01 0.00 1.00 0.00 0.00 33.01 32.82 2kl3 s GLN 4 CO 0.62 0.36 -0.11 -1.12 -2.12 0.00 0.00 175.29 172.91 2kl3 s SER 5 N -0.67 1.59 0.56 5.90 0.01 0.03 -4.86 113.70 116.26 2kl3 s SER 5 Ca 0.06 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 2kl3 s SER 5 Cb -0.07 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.51 2kl3 s SER 5 CO 0.00 0.06 1.03 -0.62 0.41 0.00 0.00 173.24 174.12 2kl3 s ASP 6 N 0.43 6.11 0.06 2.44 -1.08 -1.26 -1.03 116.67 122.34 2kl3 s ASP 6 Ca -0.09 1.75 -0.26 0.00 -0.52 0.00 0.00 52.55 53.43 2kl3 s ASP 6 Cb -0.13 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.64 2kl3 s ASP 6 CO 0.02 -0.94 1.59 0.00 0.52 0.00 0.00 175.17 176.35 2kl3 h ALA 7 N 0.71 -0.25 0.00 3.66 0.00 -1.93 -1.81 119.26 119.64 2kl3 h ALA 7 Ca -0.47 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2kl3 h ALA 7 Cb 1.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2kl3 h ALA 7 CO 0.59 -0.59 -0.41 1.12 0.00 0.00 0.00 179.25 179.96 2kl3 h HIS 8 N -0.36 0.00 -0.24 0.00 2.07 -1.94 0.26 115.15 114.94 2kl3 h HIS 8 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2kl3 h HIS 8 Cb 0.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 2kl3 h HIS 8 CO -0.03 0.41 0.16 0.28 -3.07 0.00 0.00 177.93 175.67 2kl3 h VAL 9 N 0.00 1.06 -0.14 6.12 2.07 -1.93 -0.46 116.25 122.98 2kl3 h VAL 9 Ca -0.00 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2kl3 h VAL 9 Cb 1.02 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2kl3 h VAL 9 CO 0.05 0.06 -0.09 0.25 0.02 0.00 0.00 177.57 177.86 2kl3 h LEU 10 N 0.32 0.32 -0.43 2.57 5.85 -1.12 -1.74 115.31 121.09 2kl3 h LEU 10 Ca 0.09 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2kl3 h LEU 10 Cb -0.04 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2kl3 h LEU 10 CO -0.02 0.69 0.13 0.50 -0.34 0.00 0.00 178.44 179.40 2kl3 h LYS 11 N -0.04 0.28 -0.13 1.25 3.64 -0.91 0.40 116.57 121.06 2kl3 h LYS 11 Ca 0.03 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 2kl3 h LYS 11 Cb 0.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2kl3 h LYS 11 CO 0.02 0.19 -0.73 0.66 -2.27 0.00 0.00 179.45 177.32 2kl3 h SER 12 N 0.29 0.73 0.22 4.20 4.64 -1.14 -0.34 113.55 122.14 2kl3 h SER 12 Ca 0.20 -0.47 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2kl3 h SER 12 Cb 0.21 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2kl3 h SER 12 CO -0.22 1.23 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.77 2kl3 h ARG 13 N 0.43 0.00 0.07 4.77 2.43 -0.90 0.72 114.38 121.89 2kl3 h ARG 13 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kl3 h ARG 13 Cb 1.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2kl3 h ARG 13 CO 0.14 0.12 -0.03 1.25 -1.51 0.00 0.00 179.97 179.93 2kl3 h LEU 14 N 0.00 -0.08 0.25 3.80 6.46 0.29 0.45 115.31 126.48 2kl3 h LEU 14 Ca -0.00 -0.27 -0.34 0.00 -0.12 0.00 0.00 57.88 57.15 2kl3 h LEU 14 Cb 0.25 0.02 0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2kl3 h LEU 14 CO 0.02 0.53 -1.50 -0.33 -0.62 0.00 0.00 178.44 176.54 2kl3 h GLU 15 N -1.00 0.53 -0.00 1.25 5.08 -1.03 -3.37 114.58 116.05 2kl3 h GLU 15 Ca -0.01 -0.91 0.00 0.00 -1.00 0.00 0.00 59.36 57.44 2kl3 h GLU 15 Cb 0.34 0.34 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kl3 h GLU 15 CO 0.02 1.44 -0.68 0.91 -1.00 0.00 0.00 179.01 179.69 2kl3 n TRP 16 N -3.71 0.00 0.00 4.33 7.02 0.22 -4.96 117.44 120.35 2kl3 n TRP 16 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 2kl3 n TRP 16 Cb 1.11 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 30.00 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 1.34 0.28 2.92 6.99 0.00 0.37 -4.90 105.19 112.19 2kl3 n GLY 17 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 2.04 0.39 -0.48 1.61 2.12 0.12 -4.96 118.70 119.54 2kl3 s GLU 18 Ca 0.00 0.32 -0.27 0.00 0.36 0.00 0.00 54.97 55.38 2kl3 s GLU 18 Cb 0.00 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 2kl3 s GLU 18 CO 0.00 -0.86 2.00 -2.14 -0.54 0.00 0.00 175.26 173.72 2kl3 s PRO 19 N 2.56 2.73 0.00 4.30 0.02 -1.26 -4.60 135.00 138.75 2kl3 s PRO 19 Ca 0.11 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.26 2kl3 s PRO 19 Cb -0.14 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 30.00 2kl3 s PRO 19 CO -0.24 -2.58 0.52 0.00 -0.33 0.00 0.00 177.00 174.37 2kl3 n ALA 20 N 12.75 1.85 -2.33 -1.55 0.00 -1.26 -5.15 120.51 124.82 2kl3 n ALA 20 Ca 0.26 -0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 2kl3 n ALA 20 Cb 0.51 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 1.47 -0.12 0.00 -0.12 -1.26 -4.91 117.98 113.04 2kl3 s PHE 21 Ca 0.00 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.23 2kl3 s PHE 21 Cb 0.00 -0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 41.65 2kl3 s PHE 21 CO 0.00 0.21 -0.09 0.99 -0.05 0.00 0.00 175.22 176.28 2kl3 s THR 22 N -2.96 3.45 -0.16 -4.49 2.01 -0.89 -5.03 115.64 107.58 2kl3 s THR 22 Ca 0.18 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2kl3 s THR 22 Cb -0.00 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2kl3 s THR 22 CO 0.04 0.54 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.83 2kl3 s ILE 23 N -0.02 3.83 -0.12 1.82 1.09 -1.26 -0.44 121.20 126.11 2kl3 s ILE 23 Ca -0.01 -0.38 -0.00 0.00 -1.10 0.00 0.00 60.65 59.15 2kl3 s ILE 23 Cb -0.14 -2.68 -0.02 0.00 -1.06 0.00 0.00 42.46 38.56 2kl3 s ILE 23 CO 0.03 0.49 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.50 2kl3 s LEU 24 N 0.40 2.85 -0.39 2.97 1.43 0.06 -0.44 118.68 125.55 2kl3 s LEU 24 Ca -0.04 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 2kl3 s LEU 24 Cb -0.14 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2kl3 s LEU 24 CO 0.03 0.20 0.64 -0.62 0.23 0.00 0.00 176.35 176.83 2kl3 s ASP 25 N 0.17 6.38 -0.01 2.29 -1.08 -0.03 -2.52 116.67 121.87 2kl3 s ASP 25 Ca -0.06 -0.07 0.14 0.00 -0.52 0.00 0.00 52.55 52.04 2kl3 s ASP 25 Cb -0.15 -2.33 0.42 0.00 -1.46 0.00 0.00 42.92 39.41 2kl3 s ASP 25 CO 0.04 -0.68 1.35 1.33 0.52 0.00 0.00 175.17 177.73 2kl3 n VAL 26 N 5.72 1.06 0.00 1.11 0.24 -1.07 -1.55 118.33 123.83 2kl3 n VAL 26 Ca -0.01 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 2kl3 n VAL 26 Cb 0.48 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kl3 n ARG 27 N 0.83 0.00 -3.56 7.34 1.74 -1.26 -1.81 116.66 119.94 2kl3 n ARG 27 Ca 0.16 0.32 -0.06 0.00 -0.77 0.00 0.00 57.85 57.50 2kl3 n ARG 27 Cb 0.51 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 2kl3 n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kl3 s ASP 28 N -2.12 -0.23 0.26 0.55 2.15 -1.26 -4.26 116.67 111.76 2kl3 s ASP 28 Ca 0.00 0.02 -0.04 0.00 0.43 0.00 0.00 52.55 52.96 2kl3 s ASP 28 Cb 0.00 0.24 0.33 0.00 -0.30 0.00 0.00 42.92 43.19 2kl3 s ASP 28 CO 0.00 -0.38 1.92 -0.09 -0.17 0.00 0.00 175.17 176.45 2kl3 h ARG 29 N 2.02 1.24 0.17 4.34 9.65 -1.94 0.15 114.38 130.02 2kl3 h ARG 29 Ca -0.14 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 2kl3 h ARG 29 Cb 1.19 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2kl3 h ARG 29 CO 0.26 0.82 -0.08 0.66 2.80 0.00 0.00 179.97 184.43 2kl3 h SER 30 N 1.28 -0.20 -0.78 -3.80 4.64 -1.99 -2.77 113.55 109.92 2kl3 h SER 30 Ca 0.39 -0.33 0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2kl3 h SER 30 Cb -0.04 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 2kl3 h SER 30 CO -0.11 0.29 0.51 0.74 -0.87 0.00 0.00 176.83 177.40 2kl3 h THR 31 N -0.76 0.90 0.01 2.95 2.02 -1.90 0.65 112.91 116.76 2kl3 h THR 31 Ca -0.02 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2kl3 h THR 31 Cb 0.52 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2kl3 h THR 31 CO 0.04 0.12 -0.01 0.22 0.37 0.00 0.00 175.52 176.25 2kl3 h TYR 32 N 0.64 -0.03 -0.83 3.16 3.20 -0.70 -0.92 116.97 121.49 2kl3 h TYR 32 Ca 0.37 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.25 2kl3 h TYR 32 Cb 0.56 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2kl3 h TYR 32 CO -0.00 -0.02 0.55 -0.91 -1.64 0.00 0.00 178.16 176.14 2kl3 h ASN 33 N -0.03 0.95 -0.24 -2.11 2.35 -0.86 -2.96 115.58 112.68 2kl3 h ASN 33 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2kl3 h ASN 33 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2kl3 h ASN 33 CO -0.01 0.69 0.16 0.44 -1.65 0.00 0.00 177.43 177.06 2kl3 h ASP 34 N 1.13 0.28 -1.07 5.81 3.32 -0.67 0.17 116.42 125.39 2kl3 h ASP 34 Ca 0.31 -0.02 0.20 0.00 0.02 0.00 0.00 57.03 57.54 2kl3 h ASP 34 Cb -0.12 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 39.09 2kl3 h ASP 34 CO -0.07 0.21 0.43 -0.83 -1.72 0.00 0.00 179.24 177.26 2kl3 s GLY 35 N -2.43 0.11 0.10 2.75 0.00 -0.37 -0.08 107.32 107.39 2kl3 s GLY 35 Ca -0.13 3.38 0.02 0.00 0.00 0.00 0.00 44.72 48.00 2kl3 s GLY 35 CO 0.70 3.13 -0.08 -2.38 0.00 0.00 0.00 173.10 174.48 2kl3 s HIS 36 N 1.96 0.95 0.38 1.90 -3.43 0.89 -4.63 115.29 113.32 2kl3 s HIS 36 Ca -0.03 -0.81 -0.28 0.00 -0.80 0.00 0.00 55.06 53.14 2kl3 s HIS 36 Cb -0.03 -0.53 -0.11 0.00 -1.43 0.00 0.00 32.58 30.48 2kl3 s HIS 36 CO -0.16 -0.09 1.44 -0.89 -2.00 0.00 0.00 174.74 173.05 2kl3 n ILE 37 N 0.19 2.11 -1.67 -5.38 5.41 -1.26 -0.00 119.36 118.76 2kl3 n ILE 37 Ca -0.14 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.73 2kl3 n ILE 37 Cb 0.60 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 2kl3 n ILE 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 2kl3 s MET 38 N -2.11 2.45 0.00 0.38 -2.45 -1.03 -1.25 119.30 115.29 2kl3 s MET 38 Ca 0.55 1.41 0.00 0.00 -1.25 0.00 0.00 55.69 56.40 2kl3 s MET 38 Cb -0.49 -4.49 0.00 0.00 1.25 0.00 0.00 34.83 31.10 2kl3 s MET 38 CO 0.63 -2.88 0.00 0.41 1.05 0.00 0.00 175.02 174.22 2kl3 n GLY 39 N 5.88 0.80 3.77 2.11 0.00 -1.26 -5.05 105.19 111.43 2kl3 n GLY 39 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 3.26 0.15 4.61 0.00 -0.38 -4.52 121.76 122.89 2kl3 s ALA 40 Ca 0.00 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 2kl3 s ALA 40 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2kl3 s ALA 40 CO 0.00 0.17 0.58 -1.64 0.00 0.00 0.00 175.76 174.88 2kl3 s MET 41 N -1.70 4.06 -0.64 0.00 -1.94 0.41 -4.88 119.30 114.61 2kl3 s MET 41 Ca 0.47 0.59 -0.27 0.00 -1.71 0.00 0.00 55.69 54.76 2kl3 s MET 41 Cb -0.22 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.69 2kl3 s MET 41 CO 0.27 0.48 1.36 0.00 -0.01 0.00 0.00 175.02 177.13 2kl3 s ALA 42 N -1.44 2.76 -0.49 3.03 0.00 -1.26 -0.85 121.76 123.51 2kl3 s ALA 42 Ca 0.38 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2kl3 s ALA 42 Cb -0.16 -4.17 0.19 0.00 0.00 0.00 0.00 23.12 18.98 2kl3 s ALA 42 CO 0.19 -3.11 0.44 -1.33 0.00 0.00 0.00 175.76 171.95 2kl3 n MET 43 N 8.94 0.83 -1.66 0.00 2.81 -0.60 -4.94 117.12 122.50 2kl3 n MET 43 Ca 0.09 -3.60 -0.46 0.00 -1.81 0.00 0.00 57.70 51.92 2kl3 n MET 43 Cb 0.49 -1.78 -0.04 0.00 -0.71 0.00 0.00 33.22 31.18 2kl3 n MET 43 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2kl3 n PRO 44 N 2.25 2.00 -0.22 0.03 -0.02 -1.22 -3.68 135.00 134.15 2kl3 n PRO 44 Ca 0.26 0.72 0.31 0.00 -2.02 0.00 0.00 63.50 62.77 2kl3 n PRO 44 Cb 0.45 -2.44 0.66 0.00 -0.02 0.00 0.00 33.50 32.16 2kl3 n PRO 44 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2kl3 h ILE 45 N 3.41 0.22 -0.06 4.25 2.10 -1.54 1.06 117.51 126.96 2kl3 h ILE 45 Ca -0.45 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.33 2kl3 h ILE 45 Cb 1.27 0.30 0.01 0.00 -1.09 0.00 0.00 36.82 37.31 2kl3 h ILE 45 CO 0.84 0.00 -0.56 1.05 -1.08 0.00 0.00 178.15 178.40 2kl3 h GLU 46 N 0.00 0.49 -0.00 2.19 4.11 -1.87 -3.28 114.58 116.22 2kl3 h GLU 46 Ca 0.48 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2kl3 h GLU 46 Cb 2.31 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.67 2kl3 h GLU 46 CO -0.01 1.08 -0.29 -0.25 0.07 0.00 0.00 179.01 179.62 2kl3 n ASP 47 N -4.21 0.74 -0.05 3.06 8.00 0.31 -4.65 116.55 119.74 2kl3 n ASP 47 Ca -0.09 -0.59 -0.05 0.00 0.71 0.00 0.00 54.79 54.76 2kl3 n ASP 47 Cb 0.64 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kl3 h LEU 48 N 0.70 -0.72 -0.19 0.64 5.85 -0.03 -0.18 115.31 121.39 2kl3 h LEU 48 Ca 0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2kl3 h LEU 48 Cb 0.48 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2kl3 h LEU 48 CO 0.00 -0.16 -0.24 0.58 -0.34 0.00 0.00 178.44 178.28 2kl3 h VAL 49 N -0.15 0.40 -0.10 1.05 2.07 -1.82 0.15 116.25 117.84 2kl3 h VAL 49 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2kl3 h VAL 49 Cb 0.23 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2kl3 h VAL 49 CO -0.23 0.00 0.01 0.44 0.02 0.00 0.00 177.57 177.81 2kl3 h ASP 50 N -0.28 -0.01 -0.09 0.57 5.19 -1.88 -0.56 116.42 119.37 2kl3 h ASP 50 Ca 0.12 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 2kl3 h ASP 50 Cb 0.46 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 2kl3 h ASP 50 CO -0.35 0.01 -0.34 0.03 -3.12 0.00 0.00 179.24 175.47 2kl3 h ARG 51 N 0.05 -0.42 -0.16 3.56 2.47 -0.14 -0.69 114.38 119.05 2kl3 h ARG 51 Ca 0.05 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2kl3 h ARG 51 Cb 0.04 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2kl3 h ARG 51 CO -0.07 -0.28 0.02 0.00 0.56 0.00 0.00 179.97 180.20 2kl3 h ALA 52 N 0.32 0.22 -0.76 0.04 0.00 -0.69 -2.78 119.26 115.62 2kl3 h ALA 52 Ca 0.08 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kl3 h ALA 52 Cb 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2kl3 h ALA 52 CO -0.34 -0.10 0.50 1.03 0.00 0.00 0.00 179.25 180.34 2kl3 h SER 53 N 0.05 0.58 -0.09 0.00 0.87 -0.95 0.49 113.55 114.50 2kl3 h SER 53 Ca 0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2kl3 h SER 53 Cb 0.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2kl3 h SER 53 CO 0.01 0.34 0.00 -1.20 -0.53 0.00 0.00 176.83 175.45 2kl3 n SER 54 N -4.50 1.44 0.00 6.23 7.64 -0.28 -4.24 113.62 119.91 2kl3 n SER 54 Ca 0.13 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.43 2kl3 n SER 54 Cb 0.36 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2kl3 n SER 54 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kl3 n SER 55 N 0.15 1.44 -4.20 6.43 7.64 -0.59 -5.06 113.62 119.43 2kl3 n SER 55 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 2kl3 n SER 55 Cb 0.31 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.24 2.46 0.77 -3.43 1.43 0.16 -5.07 118.68 113.76 2kl3 s LEU 56 Ca 0.00 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2kl3 s LEU 56 Cb 0.00 -0.29 0.13 0.00 0.03 0.00 0.00 46.19 46.06 2kl3 s LEU 56 CO 0.00 -0.31 1.06 -1.61 0.23 0.00 0.00 176.35 175.72 2kl3 s GLU 57 N -3.24 1.52 0.13 1.70 8.01 -1.26 -4.51 118.70 121.06 2kl3 s GLU 57 Ca 0.10 -0.85 0.13 0.00 0.01 0.00 0.00 54.97 54.36 2kl3 s GLU 57 Cb -0.00 -2.21 -0.11 0.00 -4.31 0.00 0.00 34.13 27.50 2kl3 s GLU 57 CO -0.00 -1.62 1.12 0.87 0.01 0.00 0.00 175.26 175.63 2kl3 h LYS 58 N -0.77 0.00 -0.00 1.61 1.79 -1.97 -3.28 116.57 113.95 2kl3 h LYS 58 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2kl3 h LYS 58 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kl3 h LYS 58 CO 0.42 0.58 -0.24 0.43 -1.08 0.00 0.00 179.45 179.56 2kl3 n SER 59 N -3.14 0.30 -4.70 0.86 7.64 -1.26 0.80 113.62 114.12 2kl3 n SER 59 Ca -0.04 -0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 2kl3 n SER 59 Cb 0.87 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 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 -2.92 4.23 -0.39 1.43 6.06 -1.24 -4.57 118.95 121.55 2kl3 s ARG 60 Ca 0.15 2.25 -0.28 0.00 -2.50 0.00 0.00 55.73 55.35 2kl3 s ARG 60 Cb 0.18 -3.48 -0.03 0.00 0.06 0.00 0.00 34.95 31.68 2kl3 s ARG 60 CO 0.60 -0.66 1.91 -0.51 -2.50 0.00 0.00 175.30 174.14 2kl3 s ASP 61 N 1.98 5.59 -0.16 -2.12 1.11 -1.26 -4.21 116.67 117.60 2kl3 s ASP 61 Ca 0.71 1.13 -0.01 0.00 0.18 0.00 0.00 52.55 54.56 2kl3 s ASP 61 Cb -0.39 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.07 2kl3 s ASP 61 CO 0.31 -1.98 -0.10 -0.63 1.18 0.00 0.00 175.17 173.95 2kl3 s ILE 62 N 7.97 3.18 -0.32 0.77 1.01 0.82 -2.09 121.20 132.55 2kl3 s ILE 62 Ca 0.81 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2kl3 s ILE 62 Cb -0.21 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2kl3 s ILE 62 CO 0.30 0.49 0.21 -0.31 0.00 0.00 0.00 174.94 175.64 2kl3 s TYR 63 N 0.70 3.22 -0.13 3.97 1.51 0.42 -0.80 117.35 126.24 2kl3 s TYR 63 Ca -0.05 -0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 55.81 2kl3 s TYR 63 Cb -0.15 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2kl3 s TYR 63 CO 0.02 -0.31 0.04 0.08 -1.11 0.00 0.00 175.55 174.27 2kl3 s VAL 64 N 1.72 4.60 -0.02 0.71 1.01 -0.06 -0.76 120.40 127.59 2kl3 s VAL 64 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2kl3 s VAL 64 Cb -0.17 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2kl3 s VAL 64 CO 0.10 0.55 0.01 -0.72 0.00 0.00 0.00 175.10 175.04 2kl3 s TYR 65 N -0.36 0.15 0.43 5.22 1.13 -1.05 -0.76 117.35 122.11 2kl3 s TYR 65 Ca 0.08 0.05 0.04 0.00 -1.41 0.00 0.00 57.07 55.83 2kl3 s TYR 65 Cb -0.12 -0.26 0.04 0.00 -1.10 0.00 0.00 41.96 40.53 2kl3 s TYR 65 CO 0.02 -0.08 0.36 0.41 -2.51 0.00 0.00 175.55 173.75 2kl3 n GLY 66 N 3.89 2.71 0.16 5.49 0.00 -1.26 -2.61 105.19 113.57 2kl3 n GLY 66 Ca -0.24 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.39 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 0.43 -2.63 4.61 0.00 -1.93 -2.59 119.26 117.78 2kl3 h ALA 67 Ca -0.27 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.37 2kl3 h ALA 67 Cb 1.00 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 2kl3 h ALA 67 CO 0.41 0.80 -0.69 0.20 0.00 0.00 0.00 179.25 179.97 2kl3 s GLY 68 N -4.38 1.71 0.27 0.00 0.00 -1.26 -4.67 107.32 98.98 2kl3 s GLY 68 Ca -0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 2kl3 s GLY 68 CO 0.86 -1.60 1.89 -1.80 0.00 0.00 0.00 173.10 172.45 2kl3 h ASP 69 N 2.45 0.99 0.09 1.64 3.58 -1.87 -1.24 116.42 122.06 2kl3 h ASP 69 Ca -0.45 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 56.91 2kl3 h ASP 69 Cb 1.23 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2kl3 h ASP 69 CO 0.57 0.80 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.61 2kl3 h GLU 70 N 1.11 -0.12 -0.91 0.28 4.81 -1.98 -1.25 114.58 116.52 2kl3 h GLU 70 Ca 0.28 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.60 2kl3 h GLU 70 Cb 0.04 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2kl3 h GLU 70 CO -0.04 -0.06 0.56 0.37 -0.73 0.00 0.00 179.01 179.10 2kl3 h GLN 71 N -0.14 0.93 0.36 1.92 4.15 -1.89 0.12 115.11 120.56 2kl3 h GLN 71 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2kl3 h GLN 71 Cb 0.11 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2kl3 h GLN 71 CO 0.02 0.62 -0.25 1.15 -1.93 0.00 0.00 178.83 178.44 2kl3 h THR 72 N 0.96 0.47 -0.50 2.39 2.02 -0.90 -1.51 112.91 115.84 2kl3 h THR 72 Ca 0.42 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.53 2kl3 h THR 72 Cb 0.30 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2kl3 h THR 72 CO -0.22 0.00 0.02 0.28 0.37 0.00 0.00 175.52 175.97 2kl3 h SER 73 N -0.60 0.80 -0.21 4.18 0.02 -0.88 -2.46 113.55 114.40 2kl3 h SER 73 Ca -0.03 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2kl3 h SER 73 Cb 0.51 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2kl3 h SER 73 CO 0.01 0.85 0.04 -0.61 -1.14 0.00 0.00 176.83 175.98 2kl3 h GLN 74 N 0.78 0.35 -0.59 3.45 4.15 -0.88 -1.69 115.11 120.67 2kl3 h GLN 74 Ca 0.15 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.49 2kl3 h GLN 74 Cb 0.44 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2kl3 h GLN 74 CO 0.02 0.48 0.39 0.00 -1.93 0.00 0.00 178.83 177.79 2kl3 h ALA 75 N 0.85 0.75 -0.84 3.38 0.00 -1.22 -2.19 119.26 120.00 2kl3 h ALA 75 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2kl3 h ALA 75 Cb 0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2kl3 h ALA 75 CO 0.00 0.17 0.47 0.28 0.00 0.00 0.00 179.25 180.18 2kl3 h VAL 76 N 0.79 0.87 -0.48 0.00 2.07 -1.26 -1.17 116.25 117.07 2kl3 h VAL 76 Ca 0.22 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2kl3 h VAL 76 Cb -0.07 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.69 2kl3 h VAL 76 CO -0.06 0.14 0.22 -1.13 0.02 0.00 0.00 177.57 176.76 2kl3 h ASN 77 N 0.76 0.28 -0.82 0.57 -1.24 -0.72 -1.10 115.58 113.32 2kl3 h ASN 77 Ca 0.42 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.43 2kl3 h ASN 77 Cb 0.43 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 2kl3 h ASN 77 CO -0.27 0.20 0.38 -0.07 -1.29 0.00 0.00 177.43 176.38 2kl3 h LEU 78 N 0.43 1.08 0.09 0.34 3.38 -0.78 0.83 115.31 120.68 2kl3 h LEU 78 Ca 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kl3 h LEU 78 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2kl3 h LEU 78 CO -0.18 0.92 -0.04 -0.07 0.09 0.00 0.00 178.44 179.16 2kl3 h LEU 79 N 1.17 -0.10 -1.62 1.67 3.38 -0.94 -1.09 115.31 117.77 2kl3 h LEU 79 Ca 0.28 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kl3 h LEU 79 Cb 0.14 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2kl3 h LEU 79 CO -0.03 0.33 0.14 0.08 0.09 0.00 0.00 178.44 179.04 2kl3 h ARG 80 N -0.56 0.39 -0.09 1.13 0.11 -1.16 0.70 114.38 114.90 2kl3 h ARG 80 Ca -0.01 -0.04 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 2kl3 h ARG 80 Cb 0.46 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2kl3 h ARG 80 CO 0.02 0.30 -0.23 1.03 0.10 0.00 0.00 179.97 181.19 2kl3 h SER 81 N 0.39 0.16 0.00 0.08 0.87 -0.76 -2.00 113.55 112.29 2kl3 h SER 81 Ca 0.10 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2kl3 h SER 81 Cb 0.04 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kl3 h SER 81 CO -0.01 0.40 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 2kl3 n ALA 82 N -2.48 2.58 0.00 6.23 0.00 0.18 -4.87 120.51 122.15 2kl3 n ALA 82 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kl3 n ALA 82 Cb 0.33 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.77 2.86 3.52 0.00 0.00 -0.75 -5.04 105.19 106.55 2kl3 n GLY 83 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.14 1.70 0.27 1.61 3.01 -0.85 -4.83 117.46 117.23 2kl3 n PHE 84 Ca 0.00 0.09 -0.14 0.00 1.01 0.00 0.00 57.45 58.41 2kl3 n PHE 84 Cb 0.00 -2.62 -0.07 0.00 -0.01 0.00 0.00 39.48 36.77 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2kl3 h GLU 85 N 14.40 -0.67 -4.12 -1.08 5.08 0.06 -3.36 114.58 124.89 2kl3 h GLU 85 Ca -0.32 0.05 -0.77 0.00 -1.00 0.00 0.00 59.36 57.32 2kl3 h GLU 85 Cb 1.28 0.15 -0.22 0.00 0.50 0.00 0.00 28.75 30.46 2kl3 h GLU 85 CO 1.02 -0.37 1.01 0.72 -1.00 0.00 0.00 179.01 180.39 2kl3 n HIS 86 N -5.28 4.88 -4.92 4.33 8.25 -1.04 -4.97 115.22 116.46 2kl3 n HIS 86 Ca -0.11 -3.52 -0.28 0.00 -0.26 0.00 0.00 57.72 53.55 2kl3 n HIS 86 Cb 0.32 -1.94 -0.17 0.00 1.12 0.00 0.00 29.99 29.32 2kl3 n HIS 86 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kl3 s VAL 87 N 0.15 1.59 0.00 1.59 1.01 -1.26 -0.13 120.40 123.35 2kl3 s VAL 87 Ca 0.37 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2kl3 s VAL 87 Cb -0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2kl3 s VAL 87 CO -0.03 0.46 -0.15 -0.94 0.00 0.00 0.00 175.10 174.44 2kl3 s SER 88 N 0.31 1.73 -0.12 3.32 1.04 0.02 -4.59 113.70 115.41 2kl3 s SER 88 Ca -0.12 -0.32 -0.22 0.00 0.48 0.00 0.00 55.95 55.77 2kl3 s SER 88 Cb -0.15 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2kl3 s SER 88 CO 0.05 0.14 0.64 -1.83 0.98 0.00 0.00 173.24 173.22 2kl3 s GLU 89 N -0.57 4.35 -0.63 4.02 -1.05 0.07 -0.88 118.70 124.01 2kl3 s GLU 89 Ca 0.05 0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 55.31 2kl3 s GLU 89 Cb -0.06 -3.49 0.02 0.00 -0.44 0.00 0.00 34.13 30.16 2kl3 s GLU 89 CO -0.00 -0.01 1.32 -1.17 0.95 0.00 0.00 175.26 176.34 2kl3 s LEU 90 N 1.12 3.33 -0.05 1.83 2.96 0.06 -0.79 118.68 127.14 2kl3 s LEU 90 Ca 0.32 -0.02 -0.34 0.00 -0.22 0.00 0.00 54.13 53.87 2kl3 s LEU 90 Cb -0.17 -2.90 -0.12 0.00 0.50 0.00 0.00 46.19 43.51 2kl3 s LEU 90 CO 0.14 -1.71 1.86 0.29 -1.32 0.00 0.00 176.35 175.61 2kl3 n LYS 91 N 8.86 2.25 0.00 1.98 4.76 -0.19 -1.19 118.16 134.63 2kl3 n LYS 91 Ca 0.08 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 2kl3 n LYS 91 Cb 0.49 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.01 2kl3 n LYS 91 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kl3 n GLY 92 N 4.32 3.06 6.98 0.72 0.00 -1.26 -4.25 105.19 114.76 2kl3 n GLY 92 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.48 -0.90 0.25 -0.02 0.00 -0.33 -3.83 105.19 99.87 2kl3 n GLY 93 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 0.75 -1.29 0.99 5.85 -1.73 -2.49 115.31 117.39 2kl3 h LEU 94 Ca 0.00 -0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.71 2kl3 h LEU 94 Cb 0.00 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 2kl3 h LEU 94 CO 0.00 0.72 0.59 0.00 -0.34 0.00 0.00 178.44 179.42 2kl3 h ALA 95 N 1.06 1.91 -0.13 1.25 0.00 -1.85 0.10 119.26 121.60 2kl3 h ALA 95 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kl3 h ALA 95 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kl3 h ALA 95 CO -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.02 2kl3 h ALA 96 N 1.61 0.18 -1.00 0.00 0.00 -1.56 0.24 119.26 118.72 2kl3 h ALA 96 Ca 0.48 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2kl3 h ALA 96 Cb 0.89 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2kl3 h ALA 96 CO -0.23 -0.09 0.64 2.35 0.00 0.00 0.00 179.25 181.92 2kl3 h TRP 97 N -0.06 1.16 0.10 0.00 2.91 -0.91 -1.54 115.95 117.61 2kl3 h TRP 97 Ca 0.03 0.03 -0.29 0.00 1.13 0.00 0.00 58.89 59.80 2kl3 h TRP 97 Cb 0.44 -0.37 0.02 0.00 -0.51 0.00 0.00 29.16 28.74 2kl3 h TRP 97 CO 0.05 0.52 -1.21 0.87 -1.03 0.00 0.00 178.44 177.64 2kl3 h LYS 98 N 1.07 0.59 -0.87 2.65 1.57 -0.75 0.11 116.57 120.93 2kl3 h LYS 98 Ca 0.47 -0.77 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2kl3 h LYS 98 Cb 0.36 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2kl3 h LYS 98 CO -0.22 1.34 0.49 0.00 -0.57 0.00 0.00 179.45 180.48 2kl3 h ALA 99 N 0.36 1.22 0.00 3.86 0.00 -0.13 -1.08 119.26 123.49 2kl3 h ALA 99 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kl3 h ALA 99 Cb 1.88 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2kl3 h ALA 99 CO 0.23 0.64 0.00 0.44 0.00 0.00 0.00 179.25 180.56 2kl3 n ILE 100 N -4.34 0.00 -2.76 0.00 -5.35 -0.62 -4.89 119.36 101.40 2kl3 n ILE 100 Ca 0.09 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.49 2kl3 n ILE 100 Cb 0.09 -0.31 0.04 0.00 -1.74 0.00 0.00 39.64 37.72 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 0.72 0.15 3.90 3.28 0.00 -0.41 -5.05 105.19 107.78 2kl3 n GLY 101 Ca 0.13 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.46 1.65 -0.13 -0.02 0.00 0.37 -5.02 107.32 100.71 2kl3 s GLY 102 Ca 0.09 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.07 2kl3 s GLY 102 CO 0.33 -0.28 1.67 2.56 0.00 0.00 0.00 173.10 177.38 2kl3 s PRO 103 N -4.36 3.97 0.08 2.90 0.04 -1.26 -4.77 135.00 131.60 2kl3 s PRO 103 Ca 0.48 1.97 0.10 0.00 0.04 0.00 0.00 61.00 63.58 2kl3 s PRO 103 Cb -0.10 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2kl3 s PRO 103 CO 0.39 -1.09 -0.25 0.95 0.04 0.00 0.00 177.00 177.04 2kl3 s THR 104 N 4.74 2.34 0.47 1.26 -4.23 -1.26 -2.48 115.64 116.48 2kl3 s THR 104 Ca 0.74 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2kl3 s THR 104 Cb -0.30 -1.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2kl3 s THR 104 CO 0.30 0.24 0.18 -1.61 -0.54 0.00 0.00 174.62 173.19 2kl3 s GLU 105 N -1.65 2.21 0.00 3.99 2.02 1.00 -4.82 118.70 121.45 2kl3 s GLU 105 Ca 0.14 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 53.08 2kl3 s GLU 105 Cb -0.10 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2kl3 s GLU 105 CO 0.05 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2kl3 n GLY 106 N -1.36 2.10 0.13 -1.39 0.00 -1.26 -0.08 105.19 103.33 2kl3 n GLY 106 Ca -0.06 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 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 2.82 1.14 0.21 -0.61 2.04 -0.38 -3.38 117.51 119.35 2kl3 h ILE 107 Ca 0.00 -2.70 -0.35 0.00 1.00 0.00 0.00 64.86 62.81 2kl3 h ILE 107 Cb 0.00 2.85 0.02 0.00 -0.74 0.00 0.00 36.82 38.94 2kl3 h ILE 107 CO 0.00 0.84 -1.67 0.40 0.00 0.00 0.00 178.15 177.72 2kl3 h ILE 108 N 0.10 1.04 -0.10 -0.67 1.08 -0.67 -3.41 117.51 114.87 2kl3 h ILE 108 Ca -0.27 -2.56 -0.58 0.00 -0.39 0.00 0.00 64.86 61.06 2kl3 h ILE 108 Cb 2.08 2.85 0.04 0.00 -3.07 0.00 0.00 36.82 38.72 2kl3 h ILE 108 CO 0.20 0.84 1.95 -0.62 -0.69 0.00 0.00 178.15 179.84 2kl3 n GLU 109 N -3.64 1.40 0.00 2.37 -0.58 -0.75 -2.71 120.64 116.73 2kl3 n GLU 109 Ca -0.23 -1.91 0.00 0.00 -0.42 0.00 0.00 57.16 54.60 2kl3 n GLU 109 Cb 1.08 -3.07 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 2kl3 n GLU 109 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kl3 n SER 110 N 9.15 0.00 -3.33 1.62 7.64 -1.26 -4.23 113.62 123.21 2kl3 n SER 110 Ca 0.48 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 60.13 2kl3 n SER 110 Cb 0.42 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 2kl3 n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl3 s ARG 111 N -0.99 0.81 0.02 1.43 1.04 -1.10 -5.15 118.95 115.02 2kl3 s ARG 111 Ca 0.00 -1.67 0.03 0.00 -1.04 0.00 0.00 55.73 53.05 2kl3 s ARG 111 Cb 0.00 -1.15 -0.04 0.00 -2.04 0.00 0.00 34.95 31.72 2kl3 s ARG 111 CO 0.00 -1.32 -0.03 -0.08 -0.04 0.00 0.00 175.30 173.83 2kl3 s THR 112 N 0.53 3.90 -1.14 4.99 -1.32 -1.26 -5.02 115.64 116.33 2kl3 s THR 112 Ca 0.27 -0.78 0.13 0.00 -1.21 0.00 0.00 61.69 60.11 2kl3 s THR 112 Cb -0.05 -2.75 0.56 0.00 -1.51 0.00 0.00 72.50 68.75 2kl3 s THR 112 CO -0.12 0.32 1.42 -0.81 -2.21 0.00 0.00 174.62 173.22 2kl3 n PRO 113 N 1.25 3.19 -1.14 7.08 -0.04 -1.26 -4.99 135.00 139.09 2kl3 n PRO 113 Ca -0.14 -2.20 -0.27 0.00 -0.04 0.00 0.00 63.50 60.86 2kl3 n PRO 113 Cb 0.52 -1.79 0.21 0.00 -0.04 0.00 0.00 33.50 32.41 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 114 N 0.76 -2.59 0.00 0.55 0.00 -1.26 -5.02 120.51 112.96 2kl3 n ALA 114 Ca 0.20 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2kl3 n ALA 114 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.64 0.34 1.84 0.00 0.00 -1.26 -5.15 105.19 97.32 2kl3 n GLY 115 Ca 0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.85 2kl3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 n ALA 116 N -0.70 -2.63 -3.67 4.61 0.00 -1.26 -5.07 120.51 111.79 2kl3 n ALA 116 Ca 0.00 0.51 -0.25 0.00 0.00 0.00 0.00 53.44 53.69 2kl3 n ALA 116 Cb 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 19.45 18.06 2kl3 n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kl3 s ASP 117 N -0.35 1.93 0.30 0.00 2.15 -1.26 -5.15 116.67 114.29 2kl3 s ASP 117 Ca -0.03 -0.30 0.05 0.00 0.43 0.00 0.00 52.55 52.70 2kl3 s ASP 117 Cb 0.00 -0.82 0.05 0.00 -0.30 0.00 0.00 42.92 41.85 2kl3 s ASP 117 CO 0.09 -0.04 0.41 -0.90 -0.17 0.00 0.00 175.17 174.57 2kl3 n ASP 118 N 4.32 1.07 -3.70 -0.34 5.75 -1.26 -5.15 116.55 117.24 2kl3 n ASP 118 Ca -0.19 -1.78 -0.12 0.00 -0.01 0.00 0.00 54.79 52.69 2kl3 n ASP 118 Cb 0.51 -0.22 -0.09 0.00 -1.03 0.00 0.00 41.12 40.28 2kl3 n ASP 118 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kl3 s TYR 119 N -0.86 -0.60 -0.46 2.11 5.04 -1.26 -5.12 117.35 116.19 2kl3 s TYR 119 Ca 0.31 1.38 -0.29 0.00 -2.44 0.00 0.00 57.07 56.04 2kl3 s TYR 119 Cb -0.02 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.56 2kl3 s TYR 119 CO 0.20 -0.31 1.18 1.21 -1.34 0.00 0.00 175.55 176.49 2kl3 s ASN 120 N 0.68 6.60 0.17 4.32 3.84 -1.26 -4.91 114.94 124.38 2kl3 s ASN 120 Ca -0.03 0.54 0.11 0.00 0.21 0.00 0.00 52.86 53.68 2kl3 s ASN 120 Cb -0.05 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 38.00 2kl3 s ASN 120 CO -0.05 -1.27 1.29 0.58 -2.79 0.00 0.00 177.10 174.87 2kl3 h VAL 121 N 6.25 1.30 -3.17 -5.21 2.07 -2.07 -3.43 116.25 111.99 2kl3 h VAL 121 Ca -0.24 -2.87 -0.64 0.00 0.82 0.00 0.00 66.70 63.78 2kl3 h VAL 121 Cb 1.07 2.63 -0.14 0.00 -1.52 0.00 0.00 31.29 33.32 2kl3 h VAL 121 CO 1.12 0.74 0.39 -0.69 0.02 0.00 0.00 177.57 179.15 2kl3 s VAL 122 N -2.81 4.54 0.00 2.57 1.01 -1.26 -4.64 120.40 119.82 2kl3 s VAL 122 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2kl3 s VAL 122 Cb 0.09 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2kl3 s VAL 122 CO 0.79 -1.04 0.13 -0.24 0.00 0.00 0.00 175.10 174.73 2kl3 n SER 123 N 7.05 0.00 -4.00 3.32 2.88 -1.26 -5.13 113.62 116.47 2kl3 n SER 123 Ca -0.02 -0.61 -0.28 0.00 -1.33 0.00 0.00 58.87 56.63 2kl3 n SER 123 Cb 0.47 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.76 2kl3 n SER 123 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kl3 s ARG 124 N 0.00 2.06 0.21 -1.46 6.06 -1.26 -5.12 118.95 119.43 2kl3 s ARG 124 Ca 0.00 -0.48 -0.23 0.00 -2.50 0.00 0.00 55.73 52.52 2kl3 s ARG 124 Cb 0.00 -1.87 0.05 0.00 0.06 0.00 0.00 34.95 33.18 2kl3 s ARG 124 CO 0.00 -0.17 0.84 -0.48 -2.50 0.00 0.00 175.30 172.99 2kl3 s LEU 125 N 1.33 -0.23 -0.13 -0.88 -0.00 -1.26 -5.18 118.68 112.33 2kl3 s LEU 125 Ca 0.00 -0.47 -0.11 0.00 -0.00 0.00 0.00 54.13 53.55 2kl3 s LEU 125 Cb -0.14 2.42 0.04 0.00 -0.00 0.00 0.00 46.19 48.51 2kl3 s LEU 125 CO -0.06 -1.09 0.34 -0.70 -0.00 0.00 0.00 176.35 174.83 2kl3 s GLU 126 N -3.57 0.39 -0.41 1.48 2.56 -1.26 -5.13 118.70 112.75 2kl3 s GLU 126 Ca 0.11 0.50 0.06 0.00 0.00 0.00 0.00 54.97 55.65 2kl3 s GLU 126 Cb -0.03 0.16 0.18 0.00 2.00 0.00 0.00 34.13 36.43 2kl3 s GLU 126 CO 0.04 -0.06 0.67 -1.58 -0.56 0.00 0.00 175.26 173.77 2kl3 s HIS 127 N 0.35 -1.60 -0.09 5.30 5.65 -1.26 -5.14 115.29 118.50 2kl3 s HIS 127 Ca -0.01 0.20 -0.01 0.00 0.25 0.00 0.00 55.06 55.49 2kl3 s HIS 127 Cb -0.03 0.30 0.03 0.00 -1.18 0.00 0.00 32.58 31.69 2kl3 s HIS 127 CO -0.01 -1.10 -0.05 -1.01 -0.65 0.00 0.00 174.74 171.92 2kl3 s HIS 128 N 1.80 1.15 0.02 3.88 3.76 -1.26 -5.14 115.29 119.51 2kl3 s HIS 128 Ca 0.17 -0.50 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 2kl3 s HIS 128 Cb -0.03 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 2kl3 s HIS 128 CO -0.08 -0.42 -0.11 -1.01 -0.85 0.00 0.00 174.74 172.28 2kl3 s HIS 129 N 1.70 0.95 0.00 1.40 3.76 -1.26 -5.09 115.29 116.75 2kl3 s HIS 129 Ca 0.03 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2kl3 s HIS 129 Cb -0.13 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 32.98 2kl3 s HIS 129 CO -0.06 -0.00 0.00 0.72 -0.85 0.00 0.00 174.74 174.54 2kl3 n HIS 130 N 2.26 0.00 -2.75 1.40 8.25 -1.26 -5.12 115.22 118.00 2kl3 n HIS 130 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.26 2kl3 n HIS 130 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 2kl3 n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kl3 n HIS 131 N -1.48 -3.37 0.41 4.41 -0.00 -1.26 -5.39 115.22 108.54 2kl3 n HIS 131 Ca 0.00 1.82 0.03 0.00 -0.00 0.00 0.00 57.72 59.58 2kl3 n HIS 131 Cb 0.00 -3.29 0.20 0.00 -0.00 0.00 0.00 29.99 26.89 2kl3 n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92