#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 3.46 0.12 2.12 8.01 -1.26 -4.99 118.70 126.16 2kl3 s GLU 2 Ca 0.00 1.19 -0.30 0.00 0.01 0.00 0.00 54.97 55.87 2kl3 s GLU 2 Cb 0.00 -2.05 -0.08 0.00 -4.31 0.00 0.00 34.13 27.69 2kl3 s GLU 2 CO 0.00 -0.70 1.59 -1.35 0.01 0.00 0.00 175.26 174.81 2kl3 h PRO 3 N 0.63 -0.55 -5.29 0.39 0.11 -1.95 -3.41 132.00 121.93 2kl3 h PRO 3 Ca -0.47 0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.06 2kl3 h PRO 3 Cb 1.22 0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.28 2kl3 h PRO 3 CO 0.58 -0.36 -0.57 -0.65 -0.21 0.00 0.00 178.00 176.78 2kl3 s GLN 4 N -5.91 3.94 -0.07 1.05 -0.21 -1.26 -1.69 119.66 115.51 2kl3 s GLN 4 Ca -0.16 -0.36 -0.04 0.00 0.02 0.00 0.00 55.36 54.82 2kl3 s GLN 4 Cb 0.08 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 2kl3 s GLN 4 CO 0.64 0.28 0.12 0.45 -2.12 0.00 0.00 175.29 174.65 2kl3 s SER 5 N 0.35 6.09 0.53 5.90 0.15 -0.39 -4.95 113.70 121.37 2kl3 s SER 5 Ca 0.02 0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.95 2kl3 s SER 5 Cb -0.13 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 2kl3 s SER 5 CO 0.00 0.35 0.84 -0.62 1.20 0.00 0.00 173.24 175.02 2kl3 s ASP 6 N -1.32 6.10 0.10 5.45 -1.08 -1.26 -0.63 116.67 124.02 2kl3 s ASP 6 Ca 0.19 0.94 -0.24 0.00 -0.52 0.00 0.00 52.55 52.92 2kl3 s ASP 6 Cb -0.12 -2.15 -0.12 0.00 -1.46 0.00 0.00 42.92 39.07 2kl3 s ASP 6 CO 0.09 -0.73 1.71 0.00 0.52 0.00 0.00 175.17 176.75 2kl3 h ALA 7 N 0.06 -0.13 0.00 3.66 0.00 -1.93 -1.78 119.26 119.14 2kl3 h ALA 7 Ca -0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2kl3 h ALA 7 Cb 1.22 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2kl3 h ALA 7 CO 0.61 -0.59 -0.46 1.12 0.00 0.00 0.00 179.25 179.94 2kl3 h HIS 8 N -0.16 0.00 -0.04 0.00 2.07 -1.94 0.18 115.15 115.26 2kl3 h HIS 8 Ca 0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2kl3 h HIS 8 Cb 0.17 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.15 2kl3 h HIS 8 CO -0.12 0.46 0.02 0.28 -3.07 0.00 0.00 177.93 175.51 2kl3 h VAL 9 N 0.00 1.04 -0.52 6.12 2.07 -1.90 0.18 116.25 123.24 2kl3 h VAL 9 Ca -0.00 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2kl3 h VAL 9 Cb 1.05 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2kl3 h VAL 9 CO 0.06 0.04 -0.15 0.25 0.02 0.00 0.00 177.57 177.78 2kl3 h LEU 10 N 0.02 1.03 -0.45 2.57 5.85 -1.21 -2.43 115.31 120.68 2kl3 h LEU 10 Ca 0.01 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2kl3 h LEU 10 Cb 0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2kl3 h LEU 10 CO -0.00 1.16 0.25 0.50 -0.34 0.00 0.00 178.44 180.01 2kl3 h LYS 11 N 0.89 0.49 -0.15 1.25 3.64 -0.79 0.05 116.57 121.95 2kl3 h LYS 11 Ca 0.13 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2kl3 h LYS 11 Cb 0.73 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2kl3 h LYS 11 CO 0.06 0.33 -0.08 0.77 -2.27 0.00 0.00 179.45 178.25 2kl3 h SER 12 N 0.51 0.21 0.57 4.20 0.02 -0.59 -0.14 113.55 118.33 2kl3 h SER 12 Ca 0.18 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2kl3 h SER 12 Cb 0.04 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2kl3 h SER 12 CO -0.10 0.33 -0.54 0.03 -1.14 0.00 0.00 176.83 175.41 2kl3 h ARG 13 N 0.22 0.00 0.14 3.45 3.08 -0.81 0.62 114.38 121.09 2kl3 h ARG 13 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2kl3 h ARG 13 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2kl3 h ARG 13 CO 0.01 0.54 -0.07 1.25 -1.07 0.00 0.00 179.97 180.64 2kl3 h LEU 14 N 0.00 -0.16 0.06 3.04 6.46 0.22 -2.10 115.31 122.84 2kl3 h LEU 14 Ca -0.01 -0.38 -0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2kl3 h LEU 14 Cb 0.97 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2kl3 h LEU 14 CO 0.07 0.36 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.89 2kl3 h GLU 15 N -0.76 -0.08 0.00 1.25 5.08 -1.09 -3.40 114.58 115.59 2kl3 h GLU 15 Ca -0.02 0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 2kl3 h GLU 15 Cb 0.53 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2kl3 h GLU 15 CO 0.03 0.52 -2.26 0.91 -1.00 0.00 0.00 179.01 177.21 2kl3 n TRP 16 N -4.79 0.11 -0.39 4.33 7.02 0.18 -5.00 117.44 118.90 2kl3 n TRP 16 Ca -0.08 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 2kl3 n TRP 16 Cb 0.31 -0.95 0.00 0.00 -2.42 0.00 0.00 31.31 28.25 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 1.66 -1.50 3.64 6.99 0.00 0.77 -4.94 105.19 111.81 2kl3 n GLY 17 Ca -0.27 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.50 2.93 0.00 1.61 2.02 -1.20 -4.80 118.70 117.76 2kl3 s GLU 18 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2kl3 s GLU 18 Cb 0.00 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2kl3 s GLU 18 CO 0.00 0.67 1.27 -0.35 0.02 0.00 0.00 175.26 176.87 2kl3 n PRO 19 N 2.23 0.71 -0.15 0.39 -0.04 -1.26 -4.08 135.00 132.81 2kl3 n PRO 19 Ca -0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2kl3 n PRO 19 Cb 0.53 -1.15 0.28 0.00 -0.04 0.00 0.00 33.50 33.13 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 1.44 2.46 -2.65 0.55 0.00 -1.26 -4.92 120.51 116.13 2kl3 n ALA 20 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 53.44 52.44 2kl3 n ALA 20 Cb 0.35 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.62 2.73 -0.13 0.00 -0.12 -1.26 -4.65 117.98 112.93 2kl3 s PHE 21 Ca 0.35 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 2kl3 s PHE 21 Cb 0.20 -1.23 0.01 0.00 -0.63 0.00 0.00 43.02 41.37 2kl3 s PHE 21 CO 0.28 0.60 -0.18 0.99 -0.05 0.00 0.00 175.22 176.86 2kl3 s THR 22 N -2.21 1.78 -0.14 -4.49 2.01 -0.49 -5.02 115.64 107.10 2kl3 s THR 22 Ca 0.31 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 2kl3 s THR 22 Cb -0.07 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 2kl3 s THR 22 CO 0.20 0.50 0.14 -0.63 -0.69 0.00 0.00 174.62 174.13 2kl3 s ILE 23 N 1.01 5.49 0.03 1.82 1.09 -1.26 0.06 121.20 129.43 2kl3 s ILE 23 Ca -0.04 0.20 0.07 0.00 -1.10 0.00 0.00 60.65 59.79 2kl3 s ILE 23 Cb -0.15 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 2kl3 s ILE 23 CO -0.04 0.58 -0.22 -0.76 -0.10 0.00 0.00 174.94 174.40 2kl3 s LEU 24 N -0.72 2.13 -0.42 2.97 1.43 -0.18 -0.47 118.68 123.42 2kl3 s LEU 24 Ca 0.13 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2kl3 s LEU 24 Cb -0.12 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.09 2kl3 s LEU 24 CO 0.03 0.21 0.29 -0.62 0.23 0.00 0.00 176.35 176.49 2kl3 s ASP 25 N -0.98 5.86 0.00 2.29 -1.08 0.38 -2.14 116.67 120.99 2kl3 s ASP 25 Ca 0.09 -1.26 0.22 0.00 -0.52 0.00 0.00 52.55 51.08 2kl3 s ASP 25 Cb -0.09 -2.07 0.38 0.00 -1.46 0.00 0.00 42.92 39.68 2kl3 s ASP 25 CO 0.01 -0.52 1.35 1.33 0.52 0.00 0.00 175.17 177.86 2kl3 n VAL 26 N 5.05 0.44 0.26 1.11 0.24 -1.08 -3.32 118.33 121.03 2kl3 n VAL 26 Ca -0.11 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.36 2kl3 n VAL 26 Cb 0.44 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.80 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 4.30 -0.64 -1.40 7.34 3.08 -1.89 -2.46 114.38 122.71 2kl3 h ARG 27 Ca 0.00 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.29 2kl3 h ARG 27 Cb 0.96 0.15 -0.23 0.00 0.08 0.00 0.00 29.97 30.92 2kl3 h ARG 27 CO 0.00 -0.43 0.77 0.34 -1.07 0.00 0.00 179.97 179.58 2kl3 s ASP 28 N -3.14 -0.18 0.14 7.04 2.15 -1.26 -4.72 116.67 116.70 2kl3 s ASP 28 Ca -0.10 0.12 -0.18 0.00 0.43 0.00 0.00 52.55 52.83 2kl3 s ASP 28 Cb 0.01 0.16 -0.02 0.00 -0.30 0.00 0.00 42.92 42.77 2kl3 s ASP 28 CO 0.29 -0.22 1.79 -0.09 -0.17 0.00 0.00 175.17 176.78 2kl3 h ARG 29 N 2.17 0.39 0.09 4.34 9.65 -1.93 0.19 114.38 129.27 2kl3 h ARG 29 Ca -0.12 -0.02 -0.25 0.00 -1.10 0.00 0.00 59.98 58.49 2kl3 h ARG 29 Cb 1.18 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2kl3 h ARG 29 CO 0.25 0.25 -1.15 0.77 2.80 0.00 0.00 179.97 182.90 2kl3 h SER 30 N 0.40 0.34 0.04 -3.80 0.02 -1.99 -2.76 113.55 105.80 2kl3 h SER 30 Ca 0.11 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2kl3 h SER 30 Cb -0.04 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2kl3 h SER 30 CO -0.03 1.25 -0.22 0.74 -1.14 0.00 0.00 176.83 177.43 2kl3 h THR 31 N 0.07 1.23 -0.23 -2.27 2.02 -1.92 0.84 112.91 112.66 2kl3 h THR 31 Ca -0.10 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.04 2kl3 h THR 31 Cb 1.87 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.59 2kl3 h THR 31 CO 0.18 0.33 0.01 0.22 0.37 0.00 0.00 175.52 176.64 2kl3 h TYR 32 N 0.28 0.01 -0.55 3.16 3.20 -0.53 -0.71 116.97 121.83 2kl3 h TYR 32 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2kl3 h TYR 32 Cb 0.55 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2kl3 h TYR 32 CO 0.01 -0.02 0.34 -0.91 -1.64 0.00 0.00 178.16 175.94 2kl3 h ASN 33 N 0.09 0.57 -0.52 -2.11 2.35 -1.15 -2.98 115.58 111.83 2kl3 h ASN 33 Ca 0.11 -0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.95 2kl3 h ASN 33 Cb 0.13 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 2kl3 h ASN 33 CO -0.17 0.41 0.01 -0.78 -1.65 0.00 0.00 177.43 175.24 2kl3 h ASP 34 N 0.69 -0.20 -3.55 5.81 1.82 -0.35 0.47 116.42 121.10 2kl3 h ASP 34 Ca 0.21 0.12 0.08 0.00 -0.39 0.00 0.00 57.03 57.06 2kl3 h ASP 34 Cb -0.02 0.21 -0.25 0.00 0.68 0.00 0.00 39.33 39.95 2kl3 h ASP 34 CO -0.07 -0.07 0.53 -0.83 -1.61 0.00 0.00 179.24 177.19 2kl3 s GLY 35 N -3.17 -0.17 0.14 -0.78 0.00 -0.32 -1.44 107.32 101.59 2kl3 s GLY 35 Ca -0.13 2.44 -0.23 0.00 0.00 0.00 0.00 44.72 46.80 2kl3 s GLY 35 CO 0.73 1.46 0.58 -2.38 0.00 0.00 0.00 173.10 173.48 2kl3 s HIS 36 N -0.42 -0.50 0.34 1.90 -3.43 0.46 -4.34 115.29 109.29 2kl3 s HIS 36 Ca 0.01 0.32 -0.29 0.00 -0.80 0.00 0.00 55.06 54.30 2kl3 s HIS 36 Cb -0.03 0.51 -0.11 0.00 -1.43 0.00 0.00 32.58 31.52 2kl3 s HIS 36 CO -0.03 -0.82 1.52 0.42 -2.00 0.00 0.00 174.74 173.84 2kl3 s ILE 37 N -3.61 2.08 -0.22 -5.38 1.01 -1.26 -0.02 121.20 113.79 2kl3 s ILE 37 Ca 0.01 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 2kl3 s ILE 37 Cb -0.01 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2kl3 s ILE 37 CO -0.12 0.02 1.93 -0.32 0.00 0.00 0.00 174.94 176.45 2kl3 s MET 38 N -1.43 3.46 0.00 2.79 -2.45 -0.79 -1.39 119.30 119.48 2kl3 s MET 38 Ca 0.57 1.83 0.00 0.00 -1.25 0.00 0.00 55.69 56.84 2kl3 s MET 38 Cb -0.47 -4.22 0.00 0.00 1.25 0.00 0.00 34.83 31.39 2kl3 s MET 38 CO 0.57 -1.72 0.00 0.41 1.05 0.00 0.00 175.02 175.33 2kl3 n GLY 39 N 5.28 0.33 3.84 2.11 0.00 -1.26 -5.00 105.19 110.49 2kl3 n GLY 39 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.03 3.07 0.52 4.61 0.00 -0.48 -4.78 121.76 122.65 2kl3 s ALA 40 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2kl3 s ALA 40 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2kl3 s ALA 40 CO 0.00 -0.14 0.77 -1.64 0.00 0.00 0.00 175.76 174.75 2kl3 s MET 41 N -3.85 2.97 0.00 0.00 -1.94 0.38 -4.93 119.30 111.92 2kl3 s MET 41 Ca 0.59 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 2kl3 s MET 41 Cb -0.10 -2.44 0.00 0.00 2.01 0.00 0.00 34.83 34.31 2kl3 s MET 41 CO 0.27 -0.48 0.00 0.00 -0.01 0.00 0.00 175.02 174.80 2kl3 n ALA 42 N -2.31 0.00 -2.88 3.03 0.00 -1.26 -1.67 120.51 115.42 2kl3 n ALA 42 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 2kl3 n ALA 42 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2kl3 n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2kl3 n MET 43 N 0.00 -1.78 -2.32 0.00 2.00 -1.26 -0.47 117.12 113.28 2kl3 n MET 43 Ca 0.00 1.76 -0.35 0.00 0.00 0.00 0.00 57.70 59.11 2kl3 n MET 43 Cb 0.00 -5.53 -0.01 0.00 0.00 0.00 0.00 33.22 27.69 2kl3 n MET 43 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2kl3 s PRO 44 N -2.76 3.49 0.54 0.03 0.02 -1.21 -3.99 135.00 131.12 2kl3 s PRO 44 Ca 0.12 1.58 0.38 0.00 0.02 0.00 0.00 61.00 63.10 2kl3 s PRO 44 Cb -0.03 -2.06 1.56 0.00 0.02 0.00 0.00 34.50 33.99 2kl3 s PRO 44 CO 0.72 -0.73 1.77 0.97 -0.33 0.00 0.00 177.00 179.40 2kl3 h ILE 45 N 1.34 0.35 0.21 2.83 2.10 -1.66 0.64 117.51 123.32 2kl3 h ILE 45 Ca -0.50 -0.01 -0.29 0.00 1.08 0.00 0.00 64.86 65.15 2kl3 h ILE 45 Cb 1.25 0.33 0.03 0.00 -1.09 0.00 0.00 36.82 37.35 2kl3 h ILE 45 CO 0.58 0.00 -1.26 1.05 -1.08 0.00 0.00 178.15 177.44 2kl3 h GLU 46 N 0.01 0.48 0.00 2.19 -0.00 -1.90 -3.30 114.58 112.07 2kl3 h GLU 46 Ca 0.62 -0.80 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 2kl3 h GLU 46 Cb 2.46 0.29 0.00 0.00 -0.00 0.00 0.00 28.75 31.50 2kl3 h GLU 46 CO -0.02 1.38 -0.41 -0.25 -0.00 0.00 0.00 179.01 179.71 2kl3 n ASP 47 N -3.85 0.75 -0.37 3.06 8.00 0.22 -4.61 116.55 119.75 2kl3 n ASP 47 Ca -0.16 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 2kl3 n ASP 47 Cb 1.01 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.85 2kl3 n ASP 47 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kl3 n LEU 48 N -2.17 -0.93 0.03 0.64 7.94 0.20 -0.42 117.00 122.29 2kl3 n LEU 48 Ca 0.04 1.67 -0.10 0.00 -1.11 0.00 0.00 56.01 56.51 2kl3 n LEU 48 Cb 0.44 -0.26 -0.04 0.00 0.53 0.00 0.00 43.42 44.09 2kl3 n LEU 48 CO 0.34 -1.33 0.73 0.58 -1.11 0.00 0.00 177.39 176.61 2kl3 h VAL 49 N 0.00 0.53 0.07 1.96 2.07 -1.82 0.11 116.25 119.16 2kl3 h VAL 49 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 2kl3 h VAL 49 Cb 0.36 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2kl3 h VAL 49 CO -0.83 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 175.82 2kl3 h ASP 50 N -0.29 -0.46 0.23 0.57 3.58 -1.61 -1.33 116.42 117.11 2kl3 h ASP 50 Ca 0.07 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.59 2kl3 h ASP 50 Cb 0.39 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 2kl3 h ASP 50 CO -0.22 -0.23 -0.28 0.03 -2.88 0.00 0.00 179.24 175.65 2kl3 h ARG 51 N -0.31 -0.54 0.08 0.28 2.47 -0.47 -1.48 114.38 114.42 2kl3 h ARG 51 Ca 0.03 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2kl3 h ARG 51 Cb 0.34 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2kl3 h ARG 51 CO -0.11 -0.36 -0.04 0.00 0.56 0.00 0.00 179.97 180.02 2kl3 h ALA 52 N 0.07 -0.11 0.00 0.04 0.00 -0.73 0.70 119.26 119.22 2kl3 h ALA 52 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kl3 h ALA 52 Cb 0.54 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kl3 h ALA 52 CO -0.09 -0.56 -0.03 1.03 0.00 0.00 0.00 179.25 179.59 2kl3 h SER 53 N -0.11 0.00 0.96 0.00 0.87 -1.23 0.79 113.55 114.82 2kl3 h SER 53 Ca -0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2kl3 h SER 53 Cb 0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2kl3 h SER 53 CO 0.02 0.03 -1.10 -1.28 -0.53 0.00 0.00 176.83 173.97 2kl3 h SER 54 N 0.00 0.00 0.00 6.23 0.87 -0.27 -3.41 113.55 116.97 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2kl3 h SER 54 CO 0.00 0.39 -0.24 -1.20 -0.53 0.00 0.00 176.83 175.25 2kl3 n SER 55 N -2.90 0.00 -4.06 6.23 7.64 0.14 -5.07 113.62 115.60 2kl3 n SER 55 Ca -0.05 -1.48 -0.07 0.00 1.01 0.00 0.00 58.87 58.28 2kl3 n SER 55 Cb 0.73 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.00 2.41 -0.06 -3.43 1.43 0.27 -4.98 118.68 114.32 2kl3 s LEU 56 Ca 0.00 -0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 52.06 2kl3 s LEU 56 Cb 0.00 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.37 2kl3 s LEU 56 CO 0.00 -0.54 0.40 -0.70 0.23 0.00 0.00 176.35 175.74 2kl3 s GLU 57 N -3.40 4.08 0.47 1.70 2.12 -1.26 -4.62 118.70 117.78 2kl3 s GLU 57 Ca 0.02 0.36 0.31 0.00 0.36 0.00 0.00 54.97 56.02 2kl3 s GLU 57 Cb 0.04 -3.31 1.25 0.00 0.26 0.00 0.00 34.13 32.37 2kl3 s GLU 57 CO -0.08 0.47 1.91 0.87 -0.54 0.00 0.00 175.26 177.89 2kl3 h LYS 58 N 5.58 0.00 0.00 4.30 1.57 -1.93 -1.54 116.57 124.55 2kl3 h LYS 58 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2kl3 h LYS 58 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2kl3 h LYS 58 CO 0.68 0.00 -0.47 0.77 -0.57 0.00 0.00 179.45 179.85 2kl3 h SER 59 N 0.00 0.00 -2.83 0.86 0.02 -1.92 0.51 113.55 110.19 2kl3 h SER 59 Ca 0.00 -0.15 -0.53 0.00 -0.84 0.00 0.00 61.79 60.27 2kl3 h SER 59 Cb 0.48 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.05 2kl3 h SER 59 CO 0.00 0.07 0.88 -0.60 -1.14 0.00 0.00 176.83 176.04 2kl3 s ARG 60 N -3.16 4.23 -0.71 3.45 6.06 -0.58 -4.42 118.95 123.82 2kl3 s ARG 60 Ca 0.07 2.29 -0.26 0.00 -2.50 0.00 0.00 55.73 55.33 2kl3 s ARG 60 Cb 0.13 -3.29 -0.05 0.00 0.06 0.00 0.00 34.95 31.80 2kl3 s ARG 60 CO 0.69 -0.60 2.02 -0.51 -2.50 0.00 0.00 175.30 174.40 2kl3 s ASP 61 N 1.45 4.97 -0.20 -2.12 1.11 -1.25 -4.31 116.67 116.31 2kl3 s ASP 61 Ca 0.70 0.08 -0.08 0.00 0.18 0.00 0.00 52.55 53.42 2kl3 s ASP 61 Cb -0.41 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.00 2kl3 s ASP 61 CO 0.31 -2.73 0.09 -0.63 1.18 0.00 0.00 175.17 173.39 2kl3 s ILE 62 N 10.45 4.95 -0.26 0.77 1.01 0.08 -1.39 121.20 136.80 2kl3 s ILE 62 Ca 0.75 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.35 2kl3 s ILE 62 Cb -0.11 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2kl3 s ILE 62 CO 0.13 0.43 0.08 -0.31 0.00 0.00 0.00 174.94 175.27 2kl3 s TYR 63 N 0.54 3.10 -0.15 3.97 1.51 0.11 -0.39 117.35 126.04 2kl3 s TYR 63 Ca 0.05 -0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 55.52 2kl3 s TYR 63 Cb -0.12 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 2kl3 s TYR 63 CO 0.01 -0.41 -0.00 0.08 -1.11 0.00 0.00 175.55 174.11 2kl3 s VAL 64 N 1.59 4.21 -0.07 0.71 1.01 0.25 -1.01 120.40 127.09 2kl3 s VAL 64 Ca 0.06 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2kl3 s VAL 64 Cb -0.16 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.38 2kl3 s VAL 64 CO 0.04 0.50 -0.16 -0.72 0.00 0.00 0.00 175.10 174.75 2kl3 s TYR 65 N 0.20 1.80 0.00 5.22 1.13 -0.91 -0.65 117.35 124.14 2kl3 s TYR 65 Ca 0.00 -0.66 0.00 0.00 -1.41 0.00 0.00 57.07 55.01 2kl3 s TYR 65 Cb -0.13 -1.25 0.00 0.00 -1.10 0.00 0.00 41.96 39.48 2kl3 s TYR 65 CO 0.02 -0.29 0.00 0.41 -2.51 0.00 0.00 175.55 173.18 2kl3 n GLY 66 N 3.58 5.88 0.06 5.49 0.00 -1.26 -2.63 105.19 116.31 2kl3 n GLY 66 Ca -0.21 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 43.89 2kl3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 n ALA 67 N -3.00 3.85 -3.68 4.61 0.00 -1.26 -4.03 120.51 117.00 2kl3 n ALA 67 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 2kl3 n ALA 67 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 2kl3 n ALA 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kl3 s GLY 68 N -2.91 -0.32 0.28 0.00 0.00 -1.26 -4.90 107.32 98.21 2kl3 s GLY 68 Ca 0.12 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.34 2kl3 s GLY 68 CO 0.72 0.11 1.82 -0.55 0.00 0.00 0.00 173.10 175.20 2kl3 h ASP 69 N 2.00 0.87 0.06 1.64 5.19 -1.94 -0.98 116.42 123.26 2kl3 h ASP 69 Ca -0.25 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.24 2kl3 h ASP 69 Cb 1.22 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 2kl3 h ASP 69 CO 0.27 0.44 -0.15 -0.08 -3.12 0.00 0.00 179.24 176.59 2kl3 h GLU 70 N 0.93 -0.28 -0.51 3.56 4.81 -1.99 -1.15 114.58 119.96 2kl3 h GLU 70 Ca 0.51 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.68 2kl3 h GLU 70 Cb 0.56 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2kl3 h GLU 70 CO -0.29 -0.18 0.02 0.37 -0.73 0.00 0.00 179.01 178.20 2kl3 h GLN 71 N -0.29 0.84 0.44 1.92 4.15 -1.67 0.22 115.11 120.73 2kl3 h GLN 71 Ca 0.03 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.21 2kl3 h GLN 71 Cb 0.32 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2kl3 h GLN 71 CO -0.10 0.83 -0.21 1.79 -1.93 0.00 0.00 178.83 179.20 2kl3 h THR 72 N 0.79 0.48 -0.66 2.39 1.35 -1.13 -0.62 112.91 115.51 2kl3 h THR 72 Ca 0.16 -0.44 0.06 0.00 -0.55 0.00 0.00 66.41 65.63 2kl3 h THR 72 Cb 0.44 0.66 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 2kl3 h THR 72 CO 0.02 0.07 0.37 -1.28 -0.25 0.00 0.00 175.52 174.45 2kl3 h SER 73 N -0.88 0.55 0.31 5.36 0.87 -1.10 -0.06 113.55 118.60 2kl3 h SER 73 Ca -0.06 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2kl3 h SER 73 Cb 0.57 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kl3 h SER 73 CO 0.10 0.35 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.99 2kl3 h GLN 74 N 0.68 -0.40 0.04 2.24 -0.00 -0.58 0.15 115.11 117.23 2kl3 h GLN 74 Ca 0.30 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.97 2kl3 h GLN 74 Cb 0.19 0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.76 2kl3 h GLN 74 CO -0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 178.83 178.50 2kl3 h ALA 75 N -0.06 -0.05 -0.59 3.38 0.00 -0.98 -1.58 119.26 119.38 2kl3 h ALA 75 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kl3 h ALA 75 Cb 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2kl3 h ALA 75 CO 0.07 -0.46 0.34 0.28 0.00 0.00 0.00 179.25 179.48 2kl3 h VAL 76 N -0.19 1.17 -0.54 0.00 2.07 -1.07 -0.93 116.25 116.76 2kl3 h VAL 76 Ca -0.01 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.22 2kl3 h VAL 76 Cb 0.17 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.21 2kl3 h VAL 76 CO 0.01 0.19 0.02 -1.13 0.02 0.00 0.00 177.57 176.67 2kl3 h ASN 77 N 0.82 -0.20 -0.40 0.57 -1.24 -0.33 -0.12 115.58 114.67 2kl3 h ASN 77 Ca 0.21 0.13 -0.04 0.00 0.71 0.00 0.00 56.30 57.31 2kl3 h ASN 77 Cb -0.01 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 2kl3 h ASN 77 CO -0.04 -0.07 0.12 -0.07 -1.29 0.00 0.00 177.43 176.08 2kl3 h LEU 78 N 0.13 0.66 0.11 0.34 3.38 -0.20 0.19 115.31 119.93 2kl3 h LEU 78 Ca 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kl3 h LEU 78 Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2kl3 h LEU 78 CO -0.44 0.65 -0.05 -0.07 0.09 0.00 0.00 178.44 178.62 2kl3 h LEU 79 N 0.69 -0.13 -1.84 1.67 3.38 -0.68 0.32 115.31 118.73 2kl3 h LEU 79 Ca 0.16 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2kl3 h LEU 79 Cb 0.25 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kl3 h LEU 79 CO -0.00 0.43 -0.09 0.08 0.09 0.00 0.00 178.44 178.95 2kl3 h ARG 80 N -0.76 0.00 -0.43 1.13 0.11 -0.98 0.10 114.38 113.55 2kl3 h ARG 80 Ca -0.02 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2kl3 h ARG 80 Cb 0.55 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.62 2kl3 h ARG 80 CO 0.03 0.09 -0.15 1.03 0.10 0.00 0.00 179.97 181.06 2kl3 h SER 81 N 0.00 0.81 0.00 0.08 0.87 -0.61 -2.62 113.55 112.08 2kl3 h SER 81 Ca -0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2kl3 h SER 81 Cb 0.16 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2kl3 h SER 81 CO 0.01 0.97 0.00 0.00 -0.53 0.00 0.00 176.83 177.28 2kl3 n ALA 82 N -2.49 2.22 -0.24 6.23 0.00 0.26 -4.82 120.51 121.67 2kl3 n ALA 82 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kl3 n ALA 82 Cb 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.24 0.81 3.65 0.00 0.00 -0.91 -5.04 105.19 103.93 2kl3 n GLY 83 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.13 2.41 -0.04 1.61 0.40 -0.59 -4.87 117.98 114.76 2kl3 s PHE 84 Ca 0.00 0.65 -0.19 0.00 -0.60 0.00 0.00 56.93 56.79 2kl3 s PHE 84 Cb 0.00 -3.77 -0.13 0.00 0.51 0.00 0.00 43.02 39.62 2kl3 s PHE 84 CO 0.00 -2.60 0.83 0.93 0.70 0.00 0.00 175.22 175.07 2kl3 h GLU 85 N 9.27 -0.34 -3.91 0.44 5.08 -0.32 -3.38 114.58 121.43 2kl3 h GLU 85 Ca -0.32 0.02 -0.78 0.00 -1.00 0.00 0.00 59.36 57.28 2kl3 h GLU 85 Cb 1.14 0.08 -0.25 0.00 0.50 0.00 0.00 28.75 30.21 2kl3 h GLU 85 CO 0.98 -0.01 0.14 -1.01 -1.00 0.00 0.00 179.01 178.11 2kl3 s HIS 86 N -3.53 3.72 -0.00 4.33 3.76 -1.05 -5.01 115.29 117.51 2kl3 s HIS 86 Ca -0.11 -1.95 0.01 0.00 -0.15 0.00 0.00 55.06 52.86 2kl3 s HIS 86 Cb 0.01 -3.85 -0.00 0.00 1.11 0.00 0.00 32.58 29.85 2kl3 s HIS 86 CO 0.40 -1.02 -0.03 0.08 -0.85 0.00 0.00 174.74 173.32 2kl3 s VAL 87 N 0.32 0.26 -0.03 -0.90 1.01 -1.26 -0.74 120.40 119.06 2kl3 s VAL 87 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2kl3 s VAL 87 Cb -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.05 2kl3 s VAL 87 CO -0.09 0.08 -0.08 -0.55 0.00 0.00 0.00 175.10 174.47 2kl3 s SER 88 N 0.00 1.13 -0.08 3.32 0.15 0.47 -4.90 113.70 113.80 2kl3 s SER 88 Ca 0.00 -0.17 -0.20 0.00 0.70 0.00 0.00 55.95 56.29 2kl3 s SER 88 Cb -0.02 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 2kl3 s SER 88 CO -0.00 0.03 0.54 -1.83 1.20 0.00 0.00 173.24 173.18 2kl3 s GLU 89 N 0.43 4.33 0.04 5.44 1.03 -0.68 -0.59 118.70 128.71 2kl3 s GLU 89 Ca -0.07 0.60 -0.23 0.00 0.03 0.00 0.00 54.97 55.30 2kl3 s GLU 89 Cb -0.11 -3.41 -0.06 0.00 -0.80 0.00 0.00 34.13 29.76 2kl3 s GLU 89 CO 0.01 0.21 0.68 -1.17 -1.33 0.00 0.00 175.26 173.66 2kl3 s LEU 90 N 0.39 4.46 0.13 1.83 2.96 0.18 -1.26 118.68 127.37 2kl3 s LEU 90 Ca 0.29 1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 55.25 2kl3 s LEU 90 Cb -0.16 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.38 2kl3 s LEU 90 CO 0.14 0.10 1.06 -0.54 -1.32 0.00 0.00 176.35 175.79 2kl3 s LYS 91 N -0.36 4.60 0.00 1.98 1.02 0.20 -4.01 119.74 123.16 2kl3 s LYS 91 Ca 0.34 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.95 2kl3 s LYS 91 Cb -0.20 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2kl3 s LYS 91 CO 0.21 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 2kl3 n GLY 92 N 2.35 2.78 7.00 -3.33 0.00 -1.26 -4.27 105.19 108.45 2kl3 n GLY 92 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.85 -0.26 0.30 -0.02 0.00 -1.26 -3.67 105.19 99.42 2kl3 n GLY 93 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 0.98 -0.95 0.99 5.85 -1.92 -2.26 115.31 118.00 2kl3 h LEU 94 Ca 0.00 -0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.64 2kl3 h LEU 94 Cb 0.00 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 40.68 2kl3 h LEU 94 CO 0.00 0.96 0.56 0.00 -0.34 0.00 0.00 178.44 179.62 2kl3 h ALA 95 N 1.06 1.50 -0.01 1.25 0.00 -1.92 0.37 119.26 121.51 2kl3 h ALA 95 Ca 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kl3 h ALA 95 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kl3 h ALA 95 CO 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 2kl3 h ALA 96 N 1.58 0.01 -0.94 0.00 0.00 -1.57 0.22 119.26 118.57 2kl3 h ALA 96 Ca 0.52 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.43 2kl3 h ALA 96 Cb 0.69 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2kl3 h ALA 96 CO -0.34 -0.28 0.50 2.35 0.00 0.00 0.00 179.25 181.49 2kl3 h TRP 97 N -0.38 0.86 0.10 0.00 2.91 -0.75 -1.14 115.95 117.55 2kl3 h TRP 97 Ca 0.00 0.04 -0.27 0.00 1.13 0.00 0.00 58.89 59.79 2kl3 h TRP 97 Cb 0.41 -0.23 0.01 0.00 -0.51 0.00 0.00 29.16 28.84 2kl3 h TRP 97 CO 0.07 0.06 -1.18 0.87 -1.03 0.00 0.00 178.44 177.23 2kl3 h LYS 98 N 0.55 0.40 -0.37 2.65 1.57 -0.21 0.31 116.57 121.46 2kl3 h LYS 98 Ca 0.58 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kl3 h LYS 98 Cb 1.04 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2kl3 h LYS 98 CO -0.47 1.24 0.18 0.00 -0.57 0.00 0.00 179.45 179.83 2kl3 h ALA 99 N 0.53 1.62 -0.00 3.86 0.00 0.63 0.11 119.26 126.01 2kl3 h ALA 99 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kl3 h ALA 99 Cb 1.87 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2kl3 h ALA 99 CO 0.21 0.32 -0.08 0.44 0.00 0.00 0.00 179.25 180.13 2kl3 n ILE 100 N -4.42 0.00 -2.24 0.00 -5.35 -0.68 -4.93 119.36 101.74 2kl3 n ILE 100 Ca 0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kl3 n ILE 100 Cb 0.12 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 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 1.34 0.96 3.83 3.28 0.00 0.40 -5.07 105.19 109.93 2kl3 n GLY 101 Ca 0.12 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.90 2.12 -0.05 -0.02 0.00 0.11 -5.00 107.32 101.58 2kl3 s GLY 102 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 2kl3 s GLY 102 CO 0.00 0.53 1.65 2.56 0.00 0.00 0.00 173.10 177.84 2kl3 s PRO 103 N -3.95 4.18 0.12 2.90 0.04 -1.26 -4.71 135.00 132.32 2kl3 s PRO 103 Ca 0.60 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.91 2kl3 s PRO 103 Cb -0.11 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2kl3 s PRO 103 CO 0.30 -0.84 -0.22 0.95 0.04 0.00 0.00 177.00 177.23 2kl3 s THR 104 N 4.01 1.86 0.47 1.26 -4.23 -1.26 -1.89 115.64 115.86 2kl3 s THR 104 Ca 0.73 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 2kl3 s THR 104 Cb -0.33 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 2kl3 s THR 104 CO 0.29 -0.07 0.22 -1.61 -0.54 0.00 0.00 174.62 172.90 2kl3 s GLU 105 N -2.11 2.23 0.00 3.99 2.02 0.97 -4.73 118.70 121.07 2kl3 s GLU 105 Ca 0.10 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 53.10 2kl3 s GLU 105 Cb -0.09 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.20 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 -1.40 -0.04 0.13 -1.39 0.00 -1.26 -0.41 105.19 100.82 2kl3 n GLY 106 Ca -0.04 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 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 2.78 1.53 0.13 -0.61 2.08 0.16 -4.48 119.36 120.95 2kl3 n ILE 107 Ca 0.00 -0.34 -0.02 0.00 0.56 0.00 0.00 62.75 62.95 2kl3 n ILE 107 Cb 0.00 -1.89 0.16 0.00 -0.75 0.00 0.00 39.64 37.16 2kl3 n ILE 107 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2kl3 h ILE 108 N -0.94 1.44 0.00 1.39 5.03 -1.42 -3.11 117.51 119.89 2kl3 h ILE 108 Ca -0.64 -2.11 0.00 0.00 -0.12 0.00 0.00 64.86 61.99 2kl3 h ILE 108 Cb 1.58 2.13 0.00 0.00 -3.03 0.00 0.00 36.82 37.50 2kl3 h ILE 108 CO -0.37 0.61 0.00 -0.62 -0.68 0.00 0.00 178.15 177.09 2kl3 n GLU 109 N -3.81 0.00 0.00 2.37 -0.58 -1.14 -1.84 120.64 115.64 2kl3 n GLU 109 Ca -0.01 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 57.11 2kl3 n GLU 109 Cb 0.62 -1.50 0.45 0.00 -0.57 0.00 0.00 31.44 30.44 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 -1.25 0.83 -3.92 1.62 2.88 -1.18 -4.91 113.62 107.70 2kl3 n SER 110 Ca 0.00 -0.77 -0.10 0.00 -1.33 0.00 0.00 58.87 56.67 2kl3 n SER 110 Cb 0.00 0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 2kl3 n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kl3 s ARG 111 N -2.50 0.48 -0.01 -1.46 3.03 -0.77 -5.17 118.95 112.55 2kl3 s ARG 111 Ca 0.26 -0.58 0.00 0.00 2.03 0.00 0.00 55.73 57.43 2kl3 s ARG 111 Cb 0.19 0.19 -0.04 0.00 -1.03 0.00 0.00 34.95 34.27 2kl3 s ARG 111 CO 0.51 -0.11 0.04 0.95 -1.13 0.00 0.00 175.30 175.56 2kl3 s THR 112 N -1.85 4.48 -0.59 4.99 -4.23 -1.26 -5.02 115.64 112.16 2kl3 s THR 112 Ca -0.12 -0.45 -0.28 0.00 -1.18 0.00 0.00 61.69 59.66 2kl3 s THR 112 Cb -0.06 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.80 2kl3 s THR 112 CO -0.01 0.39 1.18 -2.84 -0.54 0.00 0.00 174.62 172.80 2kl3 s PRO 113 N -1.56 3.47 -0.02 3.99 0.02 -1.26 -5.03 135.00 134.61 2kl3 s PRO 113 Ca 0.20 0.16 0.07 0.00 0.02 0.00 0.00 61.00 61.46 2kl3 s PRO 113 Cb -0.12 -4.03 -0.02 0.00 0.02 0.00 0.00 34.50 30.35 2kl3 s PRO 113 CO 0.11 -1.71 -0.23 0.00 -0.33 0.00 0.00 177.00 174.84 2kl3 s ALA 114 N 4.95 1.95 0.00 -1.55 0.00 -1.26 -4.98 121.76 120.87 2kl3 s ALA 114 Ca 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2kl3 s ALA 114 Cb -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2kl3 s ALA 114 CO 0.24 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.88 2kl3 n GLY 115 N 2.57 -0.71 3.30 0.00 0.00 -1.26 -5.15 105.19 103.94 2kl3 n GLY 115 Ca -0.16 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.04 -2.93 -0.29 4.61 0.00 -1.26 -5.17 121.76 116.68 2kl3 s ALA 116 Ca 0.00 1.84 -0.14 0.00 0.00 0.00 0.00 51.96 53.66 2kl3 s ALA 116 Cb 0.00 -2.21 0.11 0.00 0.00 0.00 0.00 23.12 21.02 2kl3 s ALA 116 CO 0.00 -1.13 0.71 0.34 0.00 0.00 0.00 175.76 175.68 2kl3 s ASP 117 N 2.60 -0.97 -0.49 0.00 2.15 -1.26 -5.10 116.67 113.59 2kl3 s ASP 117 Ca -0.00 1.46 0.05 0.00 0.43 0.00 0.00 52.55 54.49 2kl3 s ASP 117 Cb -0.07 1.70 0.20 0.00 -0.30 0.00 0.00 42.92 44.44 2kl3 s ASP 117 CO -0.16 -0.22 0.46 0.47 -0.17 0.00 0.00 175.17 175.55 2kl3 n ASP 118 N 4.69 0.84 -2.01 -0.34 9.92 -1.26 -4.97 116.55 123.42 2kl3 n ASP 118 Ca -0.17 -2.73 -0.20 0.00 -0.53 0.00 0.00 54.79 51.16 2kl3 n ASP 118 Cb 0.55 -0.63 0.14 0.00 -0.64 0.00 0.00 41.12 40.55 2kl3 n ASP 118 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kl3 n TYR 119 N 2.12 2.52 -1.67 1.24 9.36 -1.26 -4.79 117.16 124.67 2kl3 n TYR 119 Ca 0.26 -1.63 -0.42 0.00 3.32 0.00 0.00 57.90 59.43 2kl3 n TYR 119 Cb 0.46 -0.83 -0.02 0.00 -0.63 0.00 0.00 39.34 38.31 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 -0.84 3.57 -4.33 2.98 3.02 -1.26 -4.91 115.26 113.49 2kl3 n ASN 120 Ca 0.49 -2.80 -0.28 0.00 -0.03 0.00 0.00 54.58 51.96 2kl3 n ASN 120 Cb 1.44 -1.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 2kl3 n ASN 120 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kl3 s VAL 121 N 4.15 2.02 -0.14 2.41 1.01 -1.26 -5.13 120.40 123.45 2kl3 s VAL 121 Ca 0.52 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2kl3 s VAL 121 Cb 0.12 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2kl3 s VAL 121 CO -0.00 0.23 -0.16 0.54 0.00 0.00 0.00 175.10 175.70 2kl3 s VAL 122 N -0.89 2.66 -0.34 2.92 0.11 -1.26 -5.09 120.40 118.51 2kl3 s VAL 122 Ca 0.11 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2kl3 s VAL 122 Cb -0.10 -2.10 0.14 0.00 -1.53 0.00 0.00 36.38 32.79 2kl3 s VAL 122 CO 0.03 0.53 0.29 -0.55 -3.33 0.00 0.00 175.10 172.06 2kl3 s SER 123 N 0.59 2.03 -0.29 3.54 0.15 -1.26 -5.11 113.70 113.35 2kl3 s SER 123 Ca -0.09 -1.51 -0.14 0.00 0.70 0.00 0.00 55.95 54.91 2kl3 s SER 123 Cb -0.16 0.20 0.14 0.00 -1.71 0.00 0.00 66.02 64.48 2kl3 s SER 123 CO 0.03 -0.32 0.84 -0.60 1.20 0.00 0.00 173.24 174.39 2kl3 s ARG 124 N 1.64 0.46 -0.29 5.44 6.06 -1.26 -5.17 118.95 125.83 2kl3 s ARG 124 Ca 0.14 1.00 -0.15 0.00 -2.50 0.00 0.00 55.73 54.22 2kl3 s ARG 124 Cb -0.17 0.43 0.13 0.00 0.06 0.00 0.00 34.95 35.40 2kl3 s ARG 124 CO -0.13 -0.13 0.87 -1.17 -2.50 0.00 0.00 175.30 172.23 2kl3 s LEU 125 N 2.20 -0.69 -0.29 -0.88 2.96 -1.26 -5.17 118.68 115.55 2kl3 s LEU 125 Ca -0.06 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.73 2kl3 s LEU 125 Cb -0.07 1.97 0.16 0.00 0.50 0.00 0.00 46.19 48.75 2kl3 s LEU 125 CO -0.18 -0.17 1.13 -0.70 -1.32 0.00 0.00 176.35 175.12 2kl3 s GLU 126 N 1.66 0.29 -0.29 1.98 2.56 -1.26 -5.09 118.70 118.54 2kl3 s GLU 126 Ca -0.08 0.43 0.06 0.00 0.00 0.00 0.00 54.97 55.37 2kl3 s GLU 126 Cb -0.05 0.10 0.23 0.00 2.00 0.00 0.00 34.13 36.41 2kl3 s GLU 126 CO -0.17 -0.05 1.17 -2.39 -0.56 0.00 0.00 175.26 173.27 2kl3 n HIS 127 N 2.82 -1.36 -2.94 5.30 1.44 -1.26 -5.14 115.22 114.08 2kl3 n HIS 127 Ca -0.15 -1.20 -0.40 0.00 -2.01 0.00 0.00 57.72 53.95 2kl3 n HIS 127 Cb 0.57 1.30 -0.04 0.00 0.12 0.00 0.00 29.99 31.93 2kl3 n HIS 127 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kl3 s HIS 128 N 0.10 3.63 -0.29 -1.40 3.76 -1.26 -5.05 115.29 114.78 2kl3 s HIS 128 Ca 0.10 1.42 -0.15 0.00 -0.15 0.00 0.00 55.06 56.28 2kl3 s HIS 128 Cb 0.25 -2.90 0.11 0.00 1.11 0.00 0.00 32.58 31.15 2kl3 s HIS 128 CO -0.06 0.09 0.75 -1.58 -0.85 0.00 0.00 174.74 173.09 2kl3 s HIS 129 N 0.72 -1.02 0.09 1.40 2.46 -1.26 -5.18 115.29 112.50 2kl3 s HIS 129 Ca 0.42 1.95 -0.11 0.00 0.47 0.00 0.00 55.06 57.79 2kl3 s HIS 129 Cb -0.19 0.61 0.01 0.00 -0.13 0.00 0.00 32.58 32.88 2kl3 s HIS 129 CO 0.22 -0.51 0.24 -3.38 -2.47 0.00 0.00 174.74 168.85 2kl3 s HIS 130 N 1.92 0.05 -0.47 3.88 -3.43 -1.26 -5.13 115.29 110.85 2kl3 s HIS 130 Ca -0.08 -0.42 0.06 0.00 -0.80 0.00 0.00 55.06 53.81 2kl3 s HIS 130 Cb -0.06 0.02 0.18 0.00 -1.43 0.00 0.00 32.58 31.29 2kl3 s HIS 130 CO -0.19 -0.57 0.58 -1.58 -2.00 0.00 0.00 174.74 170.99 2kl3 s HIS 131 N -3.67 -0.74 0.00 0.38 2.46 -1.26 -5.36 115.29 107.09 2kl3 s HIS 131 Ca 0.03 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.52 2kl3 s HIS 131 Cb 0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.39 2kl3 s HIS 131 CO -0.10 -1.12 0.00 0.72 -2.47 0.00 0.00 174.74 171.77