#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 n GLU 2 N 0.00 -2.38 0.26 2.12 4.71 -1.26 -4.78 120.64 119.31 2kl3 n GLU 2 Ca 0.00 1.88 -0.16 0.00 -0.01 0.00 0.00 57.16 58.87 2kl3 n GLU 2 Cb 0.00 -2.45 -0.08 0.00 -1.01 0.00 0.00 31.44 27.90 2kl3 n GLU 2 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2kl3 h PRO 3 N -0.22 -0.58 -5.17 3.49 0.11 -1.95 -3.44 132.00 124.24 2kl3 h PRO 3 Ca -0.04 0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.44 2kl3 h PRO 3 Cb 0.68 0.13 -0.33 0.00 0.11 0.00 0.00 31.00 31.60 2kl3 h PRO 3 CO 0.02 -0.38 -0.84 -0.65 -0.21 0.00 0.00 178.00 175.94 2kl3 s GLN 4 N -6.03 3.09 -0.01 1.05 -0.21 -1.26 -1.00 119.66 115.30 2kl3 s GLN 4 Ca -0.16 -0.81 0.07 0.00 0.02 0.00 0.00 55.36 54.48 2kl3 s GLN 4 Cb 0.04 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 2kl3 s GLN 4 CO 0.63 -0.04 -0.23 0.45 -2.12 0.00 0.00 175.29 173.98 2kl3 s SER 5 N 0.90 2.69 0.69 5.90 0.15 -0.90 -4.99 113.70 118.14 2kl3 s SER 5 Ca -0.04 -0.44 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 2kl3 s SER 5 Cb -0.15 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 63.89 2kl3 s SER 5 CO -0.03 0.26 1.08 -0.62 1.20 0.00 0.00 173.24 175.14 2kl3 s ASP 6 N -0.67 5.12 0.13 5.45 -1.08 -1.26 -0.91 116.67 123.45 2kl3 s ASP 6 Ca 0.09 1.81 -0.21 0.00 -0.52 0.00 0.00 52.55 53.72 2kl3 s ASP 6 Cb -0.09 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 38.84 2kl3 s ASP 6 CO -0.00 -1.62 1.68 0.00 0.52 0.00 0.00 175.17 175.74 2kl3 h ALA 7 N -0.44 0.04 0.00 3.66 0.00 -1.91 -2.58 119.26 118.02 2kl3 h ALA 7 Ca -0.45 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2kl3 h ALA 7 Cb 1.23 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2kl3 h ALA 7 CO 0.54 -0.54 -0.40 1.12 0.00 0.00 0.00 179.25 179.98 2kl3 h HIS 8 N -0.10 0.00 -0.79 0.00 2.07 -1.92 0.24 115.15 114.65 2kl3 h HIS 8 Ca 0.11 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.63 2kl3 h HIS 8 Cb 0.27 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.21 2kl3 h HIS 8 CO -0.26 0.40 0.49 0.28 -3.07 0.00 0.00 177.93 175.76 2kl3 h VAL 9 N 0.00 1.22 -0.11 6.12 2.07 -1.86 0.65 116.25 124.34 2kl3 h VAL 9 Ca -0.00 -0.47 -0.20 0.00 0.82 0.00 0.00 66.70 66.85 2kl3 h VAL 9 Cb 0.97 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2kl3 h VAL 9 CO 0.05 0.23 -0.70 0.25 0.02 0.00 0.00 177.57 177.42 2kl3 h LEU 10 N 1.08 0.81 -0.70 2.57 5.85 -1.10 -2.23 115.31 121.59 2kl3 h LEU 10 Ca 0.28 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.43 2kl3 h LEU 10 Cb -0.05 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 2kl3 h LEU 10 CO -0.05 1.33 0.37 0.50 -0.34 0.00 0.00 178.44 180.25 2kl3 h LYS 11 N 0.34 0.65 -0.09 1.25 3.64 -0.71 0.28 116.57 121.92 2kl3 h LYS 11 Ca -0.05 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 2kl3 h LYS 11 Cb 1.34 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2kl3 h LYS 11 CO 0.14 0.43 -0.83 0.77 -2.27 0.00 0.00 179.45 177.69 2kl3 h SER 12 N 0.67 0.78 -0.07 4.20 0.02 -0.92 -0.87 113.55 117.35 2kl3 h SER 12 Ca 0.33 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2kl3 h SER 12 Cb 0.26 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2kl3 h SER 12 CO -0.22 1.33 0.03 -0.09 -1.14 0.00 0.00 176.83 176.73 2kl3 h ARG 13 N 0.42 0.15 0.17 3.45 2.43 -0.95 0.47 114.38 120.51 2kl3 h ARG 13 Ca -0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2kl3 h ARG 13 Cb 1.45 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2kl3 h ARG 13 CO 0.16 0.14 -0.08 1.25 -1.51 0.00 0.00 179.97 179.93 2kl3 h LEU 14 N 0.15 -0.19 0.11 3.80 6.46 -0.00 0.35 115.31 125.99 2kl3 h LEU 14 Ca 0.04 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2kl3 h LEU 14 Cb 0.06 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2kl3 h LEU 14 CO -0.00 0.37 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.80 2kl3 h GLU 15 N -0.98 -0.14 0.12 1.25 5.08 -1.11 -3.38 114.58 115.43 2kl3 h GLU 15 Ca -0.02 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 2kl3 h GLU 15 Cb 0.42 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2kl3 h GLU 15 CO 0.04 0.33 -1.93 -1.49 -1.00 0.00 0.00 179.01 174.96 2kl3 h TRP 16 N -0.70 0.48 0.00 4.33 4.06 -0.34 -3.46 115.95 120.32 2kl3 h TRP 16 Ca -0.01 -0.35 0.00 0.00 2.06 0.00 0.00 58.89 60.59 2kl3 h TRP 16 Cb 0.53 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 2kl3 h TRP 16 CO 0.09 1.76 0.00 0.41 -3.56 0.00 0.00 178.44 177.14 2kl3 n GLY 17 N 1.95 1.08 3.64 1.49 0.00 -0.43 -4.98 105.19 107.93 2kl3 n GLY 17 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.61 0.00 1.61 2.12 0.12 -4.95 118.70 118.21 2kl3 s GLU 18 Ca 0.00 1.32 0.00 0.00 0.36 0.00 0.00 54.97 56.65 2kl3 s GLU 18 Cb 0.00 0.56 0.00 0.00 0.26 0.00 0.00 34.13 34.95 2kl3 s GLU 18 CO 0.00 -0.17 1.26 -2.30 -0.54 0.00 0.00 175.26 173.51 2kl3 n PRO 19 N 4.95 0.76 -0.03 4.30 -0.02 -1.26 -4.24 135.00 139.45 2kl3 n PRO 19 Ca -0.15 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.41 2kl3 n PRO 19 Cb 0.53 -1.12 0.40 0.00 -0.02 0.00 0.00 33.50 33.29 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 n ALA 20 N 1.29 2.56 -2.88 3.55 0.00 -1.26 -4.83 120.51 118.94 2kl3 n ALA 20 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 2kl3 n ALA 20 Cb 0.38 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.91 3.27 -0.22 0.00 -0.71 -1.26 -4.71 117.98 112.44 2kl3 s PHE 21 Ca 0.25 -0.05 -0.01 0.00 -1.04 0.00 0.00 56.93 56.09 2kl3 s PHE 21 Cb 0.12 -1.50 0.02 0.00 -1.21 0.00 0.00 43.02 40.45 2kl3 s PHE 21 CO 0.19 0.49 -0.11 0.99 -1.34 0.00 0.00 175.22 175.45 2kl3 s THR 22 N -2.00 2.63 -0.14 -4.49 2.01 0.32 -5.01 115.64 108.97 2kl3 s THR 22 Ca 0.33 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 2kl3 s THR 22 Cb -0.09 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2kl3 s THR 22 CO 0.26 0.34 0.54 -0.63 -0.69 0.00 0.00 174.62 174.44 2kl3 s ILE 23 N 1.32 5.13 -0.15 1.82 1.01 -1.26 -0.79 121.20 128.28 2kl3 s ILE 23 Ca 0.02 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 2kl3 s ILE 23 Cb -0.15 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2kl3 s ILE 23 CO -0.07 0.25 -0.03 -0.76 0.00 0.00 0.00 174.94 174.33 2kl3 s LEU 24 N 1.04 3.28 -0.58 2.97 1.43 0.54 -0.63 118.68 126.73 2kl3 s LEU 24 Ca 0.28 -0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 53.06 2kl3 s LEU 24 Cb -0.16 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.35 2kl3 s LEU 24 CO 0.11 0.18 0.76 -0.62 0.23 0.00 0.00 176.35 177.01 2kl3 s ASP 25 N 0.30 6.20 0.00 2.29 -1.08 -0.72 -2.61 116.67 121.06 2kl3 s ASP 25 Ca -0.03 -1.12 0.23 0.00 -0.52 0.00 0.00 52.55 51.10 2kl3 s ASP 25 Cb -0.14 -2.33 0.51 0.00 -1.46 0.00 0.00 42.92 39.50 2kl3 s ASP 25 CO 0.03 -1.14 1.45 1.33 0.52 0.00 0.00 175.17 177.36 2kl3 n VAL 26 N 5.69 0.63 0.00 1.11 0.24 -1.07 -3.31 118.33 121.62 2kl3 n VAL 26 Ca -0.07 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 2kl3 n VAL 26 Cb 0.44 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 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 1.45 0.00 -3.61 7.34 1.74 -1.26 -2.12 116.66 120.21 2kl3 n ARG 27 Ca 0.21 0.43 -0.07 0.00 -0.77 0.00 0.00 57.85 57.65 2kl3 n ARG 27 Cb 0.59 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.13 -0.22 0.18 0.55 2.15 -1.26 -4.56 116.67 111.38 2kl3 s ASP 28 Ca 0.00 0.24 -0.13 0.00 0.43 0.00 0.00 52.55 53.09 2kl3 s ASP 28 Cb 0.00 0.18 0.16 0.00 -0.30 0.00 0.00 42.92 42.96 2kl3 s ASP 28 CO 0.00 -0.20 1.74 -0.09 -0.17 0.00 0.00 175.17 176.44 2kl3 h ARG 29 N 2.35 0.29 -0.01 4.34 9.65 -1.94 0.23 114.38 129.29 2kl3 h ARG 29 Ca -0.14 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2kl3 h ARG 29 Cb 1.17 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2kl3 h ARG 29 CO 0.27 0.19 -0.01 1.03 2.80 0.00 0.00 179.97 184.25 2kl3 h SER 30 N 0.30 0.02 -0.55 -3.80 0.87 -1.99 -2.81 113.55 105.58 2kl3 h SER 30 Ca 0.23 -0.54 0.12 0.00 -1.23 0.00 0.00 61.79 60.37 2kl3 h SER 30 Cb 0.26 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2kl3 h SER 30 CO -0.26 0.55 0.38 0.74 -0.53 0.00 0.00 176.83 177.72 2kl3 h THR 31 N -0.51 0.83 0.05 2.23 2.02 -1.89 0.29 112.91 115.92 2kl3 h THR 31 Ca 0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2kl3 h THR 31 Cb 0.55 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2kl3 h THR 31 CO 0.00 0.04 -0.03 0.22 0.37 0.00 0.00 175.52 176.13 2kl3 h TYR 32 N 0.23 -0.07 -0.61 3.16 3.20 -0.49 -1.90 116.97 120.49 2kl3 h TYR 32 Ca 0.26 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2kl3 h TYR 32 Cb 0.73 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 2kl3 h TYR 32 CO -0.00 0.02 0.31 -0.91 -1.64 0.00 0.00 178.16 175.94 2kl3 h ASN 33 N -0.14 0.77 -0.20 -2.11 2.35 -0.50 -3.15 115.58 112.61 2kl3 h ASN 33 Ca -0.01 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2kl3 h ASN 33 Cb 0.12 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2kl3 h ASN 33 CO 0.01 0.66 0.10 0.44 -1.65 0.00 0.00 177.43 177.00 2kl3 h ASP 34 N 0.82 0.15 -3.03 5.81 3.32 -0.50 0.30 116.42 123.30 2kl3 h ASP 34 Ca 0.21 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.34 2kl3 h ASP 34 Cb 0.08 -0.02 -0.26 0.00 0.22 0.00 0.00 39.33 39.34 2kl3 h ASP 34 CO -0.03 0.12 0.41 -0.83 -1.72 0.00 0.00 179.24 177.19 2kl3 s GLY 35 N -2.43 -0.14 0.14 2.75 0.00 -0.72 -0.34 107.32 106.58 2kl3 s GLY 35 Ca -0.13 2.78 -0.22 0.00 0.00 0.00 0.00 44.72 47.15 2kl3 s GLY 35 CO 0.69 2.05 0.56 -2.38 0.00 0.00 0.00 173.10 174.03 2kl3 s HIS 36 N 0.58 -0.48 0.23 1.90 -3.43 0.29 -4.47 115.29 109.91 2kl3 s HIS 36 Ca -0.01 0.31 -0.31 0.00 -0.80 0.00 0.00 55.06 54.25 2kl3 s HIS 36 Cb -0.05 0.49 -0.12 0.00 -1.43 0.00 0.00 32.58 31.47 2kl3 s HIS 36 CO -0.09 -0.80 1.70 0.42 -2.00 0.00 0.00 174.74 173.97 2kl3 s ILE 37 N -3.54 2.02 -0.18 -5.38 1.01 -1.26 -0.17 121.20 113.70 2kl3 s ILE 37 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 2kl3 s ILE 37 Cb -0.00 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2kl3 s ILE 37 CO -0.11 0.00 1.99 -0.32 0.00 0.00 0.00 174.94 176.51 2kl3 s MET 38 N 0.77 3.48 0.00 2.79 -2.45 -0.99 -1.35 119.30 121.56 2kl3 s MET 38 Ca 0.72 1.99 0.00 0.00 -1.25 0.00 0.00 55.69 57.15 2kl3 s MET 38 Cb -0.49 -4.24 0.00 0.00 1.25 0.00 0.00 34.83 31.34 2kl3 s MET 38 CO 0.36 -1.69 0.00 0.41 1.05 0.00 0.00 175.02 175.15 2kl3 n GLY 39 N 5.26 0.90 3.79 2.11 0.00 -1.26 -5.00 105.19 110.99 2kl3 n GLY 39 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 2.77 0.15 4.61 0.00 -0.46 -4.60 121.76 122.23 2kl3 s ALA 40 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 2kl3 s ALA 40 Cb 0.00 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2kl3 s ALA 40 CO 0.00 -0.58 0.39 -1.64 0.00 0.00 0.00 175.76 173.93 2kl3 s MET 41 N -3.40 3.64 -1.19 0.00 -1.94 0.20 -4.91 119.30 111.71 2kl3 s MET 41 Ca 0.69 -0.04 -0.17 0.00 -1.71 0.00 0.00 55.69 54.46 2kl3 s MET 41 Cb -0.19 -2.83 0.11 0.00 2.01 0.00 0.00 34.83 33.93 2kl3 s MET 41 CO 0.25 0.46 1.52 0.00 -0.01 0.00 0.00 175.02 177.24 2kl3 s ALA 42 N -1.66 3.51 -0.52 3.03 0.00 -1.26 -1.75 121.76 123.11 2kl3 s ALA 42 Ca 0.41 -2.99 0.04 0.00 0.00 0.00 0.00 51.96 49.42 2kl3 s ALA 42 Cb -0.12 -4.37 0.16 0.00 0.00 0.00 0.00 23.12 18.79 2kl3 s ALA 42 CO 0.24 -3.10 0.36 -1.64 0.00 0.00 0.00 175.76 171.61 2kl3 s MET 43 N 3.14 1.53 0.33 0.00 -1.94 -1.21 -5.01 119.30 116.14 2kl3 s MET 43 Ca 0.46 -2.47 -0.29 0.00 -1.71 0.00 0.00 55.69 51.69 2kl3 s MET 43 Cb -0.00 -2.37 -0.11 0.00 2.01 0.00 0.00 34.83 34.37 2kl3 s MET 43 CO 0.01 -1.28 1.44 -2.14 -0.01 0.00 0.00 175.02 173.04 2kl3 s PRO 44 N -0.32 4.22 0.37 2.03 0.02 -1.22 -3.77 135.00 136.33 2kl3 s PRO 44 Ca 0.25 2.41 0.19 0.00 0.02 0.00 0.00 61.00 63.88 2kl3 s PRO 44 Cb -0.08 -3.04 1.21 0.00 0.02 0.00 0.00 34.50 32.61 2kl3 s PRO 44 CO -0.12 -0.42 1.65 0.97 -0.33 0.00 0.00 177.00 178.75 2kl3 h ILE 45 N 3.16 0.22 -0.03 2.83 2.10 -1.66 1.17 117.51 125.30 2kl3 h ILE 45 Ca -0.49 -0.08 -0.17 0.00 1.08 0.00 0.00 64.86 65.21 2kl3 h ILE 45 Cb 1.23 -0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.93 2kl3 h ILE 45 CO 0.69 0.04 -0.73 1.05 -1.08 0.00 0.00 178.15 178.12 2kl3 h GLU 46 N 0.22 0.20 -0.01 2.19 4.11 -1.89 -3.18 114.58 116.22 2kl3 h GLU 46 Ca 0.77 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 60.02 2kl3 h GLU 46 Cb 1.97 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2kl3 h GLU 46 CO -0.57 0.84 -0.46 -3.47 0.07 0.00 0.00 179.01 175.43 2kl3 n ASP 47 N -3.76 1.43 0.09 3.06 2.03 0.33 -4.61 116.55 115.11 2kl3 n ASP 47 Ca -0.03 -1.13 -0.13 0.00 0.52 0.00 0.00 54.79 54.02 2kl3 n ASP 47 Cb 0.71 0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 41.44 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kl3 h LEU 48 N 1.53 -1.05 -0.01 -2.67 5.85 0.62 -0.31 115.31 119.27 2kl3 h LEU 48 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2kl3 h LEU 48 Cb 0.62 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2kl3 h LEU 48 CO 0.00 -0.43 -0.20 0.58 -0.34 0.00 0.00 178.44 178.05 2kl3 h VAL 49 N -0.55 0.52 -0.07 1.05 2.07 -1.81 0.18 116.25 117.64 2kl3 h VAL 49 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2kl3 h VAL 49 Cb 0.61 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2kl3 h VAL 49 CO -0.24 0.00 0.04 0.44 0.02 0.00 0.00 177.57 177.82 2kl3 h ASP 50 N -0.32 0.10 -0.00 0.57 5.19 -1.87 -0.58 116.42 119.51 2kl3 h ASP 50 Ca 0.06 -0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2kl3 h ASP 50 Cb 0.40 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 2kl3 h ASP 50 CO -0.19 0.19 -0.26 0.03 -3.12 0.00 0.00 179.24 175.89 2kl3 h ARG 51 N -0.00 -0.38 0.23 3.56 2.47 -0.77 -2.03 114.38 117.46 2kl3 h ARG 51 Ca 0.03 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2kl3 h ARG 51 Cb 0.12 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2kl3 h ARG 51 CO -0.00 -0.25 -0.11 0.00 0.56 0.00 0.00 179.97 180.16 2kl3 h ALA 52 N 0.43 -0.31 0.00 0.04 0.00 -0.62 -2.93 119.26 115.87 2kl3 h ALA 52 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kl3 h ALA 52 Cb 0.48 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kl3 h ALA 52 CO -0.23 -0.47 -0.08 1.03 0.00 0.00 0.00 179.25 179.50 2kl3 h SER 53 N -0.70 0.00 -0.07 0.00 0.87 -1.14 0.82 113.55 113.32 2kl3 h SER 53 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2kl3 h SER 53 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kl3 h SER 53 CO 0.05 0.08 0.00 -0.24 -0.53 0.00 0.00 176.83 176.19 2kl3 n SER 54 N -3.85 1.63 0.11 6.23 2.88 -0.76 -4.61 113.62 115.24 2kl3 n SER 54 Ca -0.02 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 2kl3 n SER 54 Cb 0.18 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2kl3 n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kl3 n SER 55 N 0.28 0.11 -4.87 -3.46 7.64 -0.20 -5.06 113.62 108.05 2kl3 n SER 55 Ca 0.18 0.37 -0.31 0.00 1.01 0.00 0.00 58.87 60.13 2kl3 n SER 55 Cb 0.36 0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 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 -6.79 3.25 0.70 -3.43 1.43 0.27 -5.08 118.68 109.03 2kl3 s LEU 56 Ca 0.00 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.44 2kl3 s LEU 56 Cb 0.00 -4.40 0.10 0.00 0.03 0.00 0.00 46.19 41.92 2kl3 s LEU 56 CO 0.00 -0.86 0.97 -1.61 0.23 0.00 0.00 176.35 175.08 2kl3 s GLU 57 N -5.15 1.91 0.15 1.70 8.01 -1.26 -4.52 118.70 119.54 2kl3 s GLU 57 Ca 0.54 -0.79 0.16 0.00 0.01 0.00 0.00 54.97 54.90 2kl3 s GLU 57 Cb -0.11 -2.29 -0.06 0.00 -4.31 0.00 0.00 34.13 27.36 2kl3 s GLU 57 CO 0.53 -1.31 1.09 0.87 0.01 0.00 0.00 175.26 176.46 2kl3 h LYS 58 N -0.49 0.00 -0.01 1.61 1.79 -1.96 -3.21 116.57 114.30 2kl3 h LYS 58 Ca -0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2kl3 h LYS 58 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2kl3 h LYS 58 CO 0.47 0.40 -0.10 0.43 -1.08 0.00 0.00 179.45 179.57 2kl3 n SER 59 N -3.04 0.96 -4.72 0.86 7.64 -1.26 0.56 113.62 114.62 2kl3 n SER 59 Ca -0.04 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.38 2kl3 n SER 59 Cb 0.80 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 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 -2.27 4.23 -0.70 1.43 6.06 -1.22 -4.67 118.95 121.81 2kl3 s ARG 60 Ca 0.33 2.33 -0.26 0.00 -2.50 0.00 0.00 55.73 55.63 2kl3 s ARG 60 Cb 0.20 -3.16 -0.01 0.00 0.06 0.00 0.00 34.95 32.05 2kl3 s ARG 60 CO 0.43 -0.58 1.72 -0.51 -2.50 0.00 0.00 175.30 173.86 2kl3 s ASP 61 N 1.07 5.52 -0.14 -2.12 1.01 -1.26 -4.21 116.67 116.55 2kl3 s ASP 61 Ca 0.69 -0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.82 2kl3 s ASP 61 Cb -0.43 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 40.92 2kl3 s ASP 61 CO 0.32 -2.26 0.05 -0.63 0.21 0.00 0.00 175.17 172.86 2kl3 s ILE 62 N 8.24 4.73 -0.10 0.77 1.01 -0.30 -0.52 121.20 135.02 2kl3 s ILE 62 Ca 0.59 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2kl3 s ILE 62 Cb -0.10 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2kl3 s ILE 62 CO 0.15 0.54 -0.17 -0.31 0.00 0.00 0.00 174.94 175.15 2kl3 s TYR 63 N -0.33 2.69 -0.09 3.97 1.51 0.03 -0.63 117.35 124.49 2kl3 s TYR 63 Ca 0.08 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2kl3 s TYR 63 Cb -0.12 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2kl3 s TYR 63 CO 0.02 -0.19 -0.14 0.08 -1.11 0.00 0.00 175.55 174.20 2kl3 s VAL 64 N 0.11 2.98 -0.03 0.71 1.01 0.26 -0.34 120.40 125.11 2kl3 s VAL 64 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2kl3 s VAL 64 Cb -0.15 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2kl3 s VAL 64 CO 0.05 0.55 -0.01 -0.72 0.00 0.00 0.00 175.10 174.98 2kl3 s TYR 65 N -0.10 0.37 0.07 5.22 1.13 -1.07 -0.96 117.35 122.00 2kl3 s TYR 65 Ca -0.02 -0.03 0.01 0.00 -1.41 0.00 0.00 57.07 55.62 2kl3 s TYR 65 Cb -0.14 -0.43 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 2kl3 s TYR 65 CO 0.04 -0.13 0.04 0.41 -2.51 0.00 0.00 175.55 173.40 2kl3 n GLY 66 N 4.08 3.18 0.04 5.49 0.00 -1.26 -2.61 105.19 114.11 2kl3 n GLY 66 Ca -0.27 -2.19 0.15 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.84 2.60 -3.51 4.61 0.00 -1.26 -4.38 120.51 115.73 2kl3 n ALA 67 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 2kl3 n ALA 67 Cb 0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.44 -0.50 0.18 0.00 0.00 -1.26 -5.03 107.32 98.27 2kl3 s GLY 68 Ca 0.32 0.58 -0.15 0.00 0.00 0.00 0.00 44.72 45.47 2kl3 s GLY 68 CO 0.45 0.19 1.67 -0.55 0.00 0.00 0.00 173.10 174.86 2kl3 h ASP 69 N 2.00 -0.32 0.01 1.64 5.19 -1.95 -1.07 116.42 121.91 2kl3 h ASP 69 Ca -0.28 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2kl3 h ASP 69 Cb 1.28 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 41.01 2kl3 h ASP 69 CO 0.33 -0.11 -0.13 -0.08 -3.12 0.00 0.00 179.24 176.13 2kl3 h GLU 70 N 0.05 -0.22 -0.09 3.56 4.22 -1.96 -0.05 114.58 120.08 2kl3 h GLU 70 Ca 0.23 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.70 2kl3 h GLU 70 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kl3 h GLU 70 CO -0.44 -0.15 0.00 0.37 -2.18 0.00 0.00 179.01 176.62 2kl3 h GLN 71 N -0.23 0.04 -0.03 1.92 4.15 -1.91 -2.30 115.11 116.75 2kl3 h GLN 71 Ca 0.04 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.49 2kl3 h GLN 71 Cb 0.28 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 2kl3 h GLN 71 CO -0.12 0.02 -0.17 1.15 -1.93 0.00 0.00 178.83 177.78 2kl3 h THR 72 N 0.04 0.58 -0.95 2.39 2.02 -0.95 -1.72 112.91 114.30 2kl3 h THR 72 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 2kl3 h THR 72 Cb 0.05 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 2kl3 h THR 72 CO -0.07 0.00 0.62 0.28 0.37 0.00 0.00 175.52 176.72 2kl3 h SER 73 N -0.27 1.00 -0.16 4.18 0.02 -0.92 -1.93 113.55 115.48 2kl3 h SER 73 Ca 0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2kl3 h SER 73 Cb 0.35 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2kl3 h SER 73 CO -0.18 0.66 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.46 2kl3 h GLN 74 N 1.14 0.34 -0.49 3.45 4.15 -1.08 -2.54 115.11 120.07 2kl3 h GLN 74 Ca 0.40 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.71 2kl3 h GLN 74 Cb 0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2kl3 h GLN 74 CO -0.14 0.67 0.25 0.00 -1.93 0.00 0.00 178.83 177.68 2kl3 h ALA 75 N 0.66 0.63 -0.84 3.38 0.00 -1.01 -0.79 119.26 121.29 2kl3 h ALA 75 Ca 0.03 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2kl3 h ALA 75 Cb 0.58 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2kl3 h ALA 75 CO 0.03 -0.10 0.44 0.28 0.00 0.00 0.00 179.25 179.89 2kl3 h VAL 76 N 0.48 0.77 -0.41 0.00 2.07 -1.34 -1.57 116.25 116.25 2kl3 h VAL 76 Ca 0.22 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2kl3 h VAL 76 Cb 0.13 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2kl3 h VAL 76 CO -0.16 0.12 0.17 -1.13 0.02 0.00 0.00 177.57 176.60 2kl3 h ASN 77 N 0.66 0.55 -0.76 0.57 -1.24 -0.79 -2.56 115.58 112.01 2kl3 h ASN 77 Ca 0.44 -0.15 0.01 0.00 0.71 0.00 0.00 56.30 57.31 2kl3 h ASN 77 Cb 0.58 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 2kl3 h ASN 77 CO -0.33 0.55 0.50 -0.07 -1.29 0.00 0.00 177.43 176.79 2kl3 h LEU 78 N 0.51 0.87 0.23 0.34 3.38 -0.53 0.19 115.31 120.31 2kl3 h LEU 78 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kl3 h LEU 78 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kl3 h LEU 78 CO -0.01 0.63 -0.11 -0.07 0.09 0.00 0.00 178.44 178.97 2kl3 h LEU 79 N 1.03 -0.27 -1.61 1.67 3.38 -1.20 0.29 115.31 118.60 2kl3 h LEU 79 Ca 0.28 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2kl3 h LEU 79 Cb -0.12 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2kl3 h LEU 79 CO -0.06 -0.07 -0.21 0.08 0.09 0.00 0.00 178.44 178.27 2kl3 h ARG 80 N -0.45 0.00 -0.09 1.13 0.11 -1.33 0.86 114.38 114.61 2kl3 h ARG 80 Ca -0.03 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 2kl3 h ARG 80 Cb 0.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2kl3 h ARG 80 CO 0.05 0.21 -0.21 1.03 0.10 0.00 0.00 179.97 181.15 2kl3 h SER 81 N 0.00 0.14 -0.03 0.08 0.87 -0.35 -2.55 113.55 111.70 2kl3 h SER 81 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2kl3 h SER 81 Cb 0.41 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kl3 h SER 81 CO 0.03 0.36 0.00 0.00 -0.53 0.00 0.00 176.83 176.69 2kl3 n ALA 82 N -2.49 2.61 0.00 6.23 0.00 0.24 -4.91 120.51 122.20 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 0.31 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.00 2.33 3.58 0.00 0.00 -0.90 -5.02 105.19 106.18 2kl3 n GLY 83 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.27 1.99 -0.01 1.61 3.01 -0.85 -4.88 117.46 117.07 2kl3 n PHE 84 Ca 0.00 0.03 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 2kl3 n PHE 84 Cb 0.00 -2.65 -0.09 0.00 -0.01 0.00 0.00 39.48 36.73 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 12.09 0.04 -4.03 -1.08 5.08 -0.22 -3.37 114.58 123.09 2kl3 h GLU 85 Ca -0.39 -0.02 -0.77 0.00 -1.00 0.00 0.00 59.36 57.18 2kl3 h GLU 85 Cb 1.28 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.28 2kl3 h GLU 85 CO 0.97 0.41 0.29 -1.01 -1.00 0.00 0.00 179.01 178.68 2kl3 s HIS 86 N -4.67 3.70 -0.08 4.33 3.76 -1.07 -4.99 115.29 116.27 2kl3 s HIS 86 Ca -0.15 -1.97 -0.00 0.00 -0.15 0.00 0.00 55.06 52.79 2kl3 s HIS 86 Cb 0.03 -3.91 0.03 0.00 1.11 0.00 0.00 32.58 29.83 2kl3 s HIS 86 CO 0.68 -1.08 -0.04 0.08 -0.85 0.00 0.00 174.74 173.53 2kl3 s VAL 87 N 0.47 0.64 0.32 -0.90 1.01 -1.26 -1.15 120.40 119.54 2kl3 s VAL 87 Ca 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2kl3 s VAL 87 Cb -0.09 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2kl3 s VAL 87 CO -0.09 0.29 0.10 -0.94 0.00 0.00 0.00 175.10 174.47 2kl3 s SER 88 N 1.65 2.00 0.26 3.32 1.04 0.20 -4.91 113.70 117.26 2kl3 s SER 88 Ca 0.01 -1.47 0.08 0.00 0.48 0.00 0.00 55.95 55.05 2kl3 s SER 88 Cb -0.13 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 2kl3 s SER 88 CO -0.05 -0.76 -0.10 -1.83 0.98 0.00 0.00 173.24 171.48 2kl3 s GLU 89 N -3.88 1.53 -0.19 4.02 4.04 -0.17 -0.57 118.70 123.48 2kl3 s GLU 89 Ca 0.34 -1.74 -0.01 0.00 0.04 0.00 0.00 54.97 53.60 2kl3 s GLU 89 Cb 0.07 -1.27 0.01 0.00 0.02 0.00 0.00 34.13 32.95 2kl3 s GLU 89 CO 0.15 0.12 -0.15 -1.17 -1.84 0.00 0.00 175.26 172.38 2kl3 s LEU 90 N -3.43 2.38 0.25 1.83 2.96 -0.13 -2.12 118.68 120.41 2kl3 s LEU 90 Ca 0.28 -0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 53.35 2kl3 s LEU 90 Cb 0.01 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 45.05 2kl3 s LEU 90 CO 0.11 -0.00 0.91 -0.54 -1.32 0.00 0.00 176.35 175.51 2kl3 s LYS 91 N 1.32 4.73 0.00 1.98 -0.14 -0.09 -3.66 119.74 123.88 2kl3 s LYS 91 Ca 0.05 1.38 0.00 0.00 -1.36 0.00 0.00 55.97 56.04 2kl3 s LYS 91 Cb -0.14 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 2kl3 s LYS 91 CO -0.09 0.47 0.00 0.41 -0.76 0.00 0.00 175.35 175.38 2kl3 n GLY 92 N 1.26 3.13 7.00 -3.33 0.00 -1.26 -3.15 105.19 108.85 2kl3 n GLY 92 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.37 -0.14 0.33 -0.02 0.00 -1.24 -2.72 105.19 100.03 2kl3 n GLY 93 Ca 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 2kl3 n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kl3 h LEU 94 N 0.00 1.03 -0.87 0.99 5.85 -1.94 -2.58 115.31 117.78 2kl3 h LEU 94 Ca 0.00 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kl3 h LEU 94 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2kl3 h LEU 94 CO 0.00 0.85 0.57 0.00 -0.34 0.00 0.00 178.44 179.52 2kl3 h ALA 95 N 1.22 1.11 -0.31 1.25 0.00 -1.95 -0.37 119.26 120.21 2kl3 h ALA 95 Ca 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2kl3 h ALA 95 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kl3 h ALA 95 CO -0.04 0.48 0.08 0.00 0.00 0.00 0.00 179.25 179.78 2kl3 h ALA 96 N 1.33 0.41 -0.99 0.00 0.00 -1.35 0.25 119.26 118.90 2kl3 h ALA 96 Ca 0.32 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.27 2kl3 h ALA 96 Cb -0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.46 2kl3 h ALA 96 CO -0.08 0.07 0.62 2.35 0.00 0.00 0.00 179.25 182.20 2kl3 h TRP 97 N 0.35 0.93 0.18 0.00 2.91 -1.00 -0.13 115.95 119.19 2kl3 h TRP 97 Ca 0.10 0.03 -0.32 0.00 1.13 0.00 0.00 58.89 59.83 2kl3 h TRP 97 Cb 0.28 -0.28 0.03 0.00 -0.51 0.00 0.00 29.16 28.68 2kl3 h TRP 97 CO 0.01 0.20 -1.36 0.87 -1.03 0.00 0.00 178.44 177.13 2kl3 h LYS 98 N 0.66 0.60 -0.27 2.65 1.57 -0.72 0.28 116.57 121.33 2kl3 h LYS 98 Ca 0.56 -0.89 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2kl3 h LYS 98 Cb 1.02 0.31 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 2kl3 h LYS 98 CO -0.34 1.41 0.06 0.00 -0.57 0.00 0.00 179.45 180.02 2kl3 h ALA 99 N 0.23 1.60 -0.00 3.86 0.00 0.48 0.21 119.26 125.64 2kl3 h ALA 99 Ca -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kl3 h ALA 99 Cb 2.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2kl3 h ALA 99 CO 0.26 0.30 -0.02 0.44 0.00 0.00 0.00 179.25 180.23 2kl3 n ILE 100 N -4.38 0.00 -2.55 0.00 -5.35 -0.16 -4.92 119.36 102.00 2kl3 n ILE 100 Ca 0.01 -0.04 -0.04 0.00 -0.27 0.00 0.00 62.75 62.41 2kl3 n ILE 100 Cb 0.17 -0.33 0.02 0.00 -1.74 0.00 0.00 39.64 37.75 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 1.12 0.49 3.90 3.28 0.00 0.06 -5.06 105.19 109.00 2kl3 n GLY 101 Ca 0.20 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.15 1.56 -0.11 -0.02 0.00 0.99 -5.01 107.32 101.57 2kl3 s GLY 102 Ca 0.07 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 44.01 2kl3 s GLY 102 CO 0.15 -0.27 1.64 2.56 0.00 0.00 0.00 173.10 177.18 2kl3 s PRO 103 N -4.90 4.06 0.26 2.90 0.04 -1.26 -4.77 135.00 131.33 2kl3 s PRO 103 Ca 0.51 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.65 2kl3 s PRO 103 Cb -0.10 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 2kl3 s PRO 103 CO 0.47 -0.99 -0.13 0.95 0.04 0.00 0.00 177.00 177.34 2kl3 s THR 104 N 4.42 1.92 0.29 1.26 -4.23 -1.26 -2.34 115.64 115.69 2kl3 s THR 104 Ca 0.73 -2.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2kl3 s THR 104 Cb -0.30 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 2kl3 s THR 104 CO 0.29 -0.43 0.18 -1.61 -0.54 0.00 0.00 174.62 172.50 2kl3 s GLU 105 N -3.64 1.55 0.00 3.99 2.02 0.76 -4.71 118.70 118.68 2kl3 s GLU 105 Ca 0.27 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.38 2kl3 s GLU 105 Cb -0.00 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2kl3 s GLU 105 CO 0.11 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.32 2kl3 n GLY 106 N -0.53 4.82 0.37 -1.39 0.00 -1.26 -0.55 105.19 106.64 2kl3 n GLY 106 Ca 0.02 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 45.01 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 1.31 1.10 0.07 -0.61 2.04 -0.34 0.16 117.51 121.23 2kl3 h ILE 107 Ca 0.00 -0.39 -0.34 0.00 1.00 0.00 0.00 64.86 65.14 2kl3 h ILE 107 Cb 0.00 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 35.92 2kl3 h ILE 107 CO 0.00 0.20 -1.88 -0.38 0.00 0.00 0.00 178.15 176.09 2kl3 n ILE 108 N -4.48 1.67 0.87 -0.67 -0.00 -0.57 -4.36 119.36 111.83 2kl3 n ILE 108 Ca 0.14 -0.45 0.09 0.00 -0.00 0.00 0.00 62.75 62.53 2kl3 n ILE 108 Cb 0.17 -1.80 0.46 0.00 -0.00 0.00 0.00 39.64 38.48 2kl3 n ILE 108 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2kl3 n GLU 109 N -3.78 0.28 -0.09 0.38 2.13 0.54 -2.72 120.64 117.38 2kl3 n GLU 109 Ca -0.35 0.11 0.22 0.00 0.66 0.00 0.00 57.16 57.80 2kl3 n GLU 109 Cb 0.93 -1.50 0.66 0.00 0.27 0.00 0.00 31.44 31.80 2kl3 n GLU 109 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2kl3 h SER 110 N 0.00 0.08 -2.00 4.31 0.87 -0.88 -3.37 113.55 112.55 2kl3 h SER 110 Ca 0.00 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2kl3 h SER 110 Cb 0.16 -0.01 -0.31 0.00 -0.44 0.00 0.00 62.40 61.80 2kl3 h SER 110 CO 0.00 0.04 -0.54 0.00 -0.53 0.00 0.00 176.83 175.80 2kl3 s ARG 111 N -5.08 0.33 -0.17 2.24 3.03 -1.10 -5.04 118.95 113.16 2kl3 s ARG 111 Ca -0.06 0.30 -0.24 0.00 2.03 0.00 0.00 55.73 57.76 2kl3 s ARG 111 Cb 0.21 -0.60 -0.02 0.00 -1.03 0.00 0.00 34.95 33.51 2kl3 s ARG 111 CO 0.75 -0.77 0.78 0.95 -1.13 0.00 0.00 175.30 175.88 2kl3 s THR 112 N 2.48 4.92 -1.69 4.99 -4.23 -1.26 -4.94 115.64 115.90 2kl3 s THR 112 Ca 0.11 1.53 0.29 0.00 -1.18 0.00 0.00 61.69 62.43 2kl3 s THR 112 Cb -0.15 -4.09 0.44 0.00 1.34 0.00 0.00 72.50 70.05 2kl3 s THR 112 CO -0.20 0.06 1.83 -0.81 -0.54 0.00 0.00 174.62 174.96 2kl3 n PRO 113 N 5.07 0.74 -3.66 3.99 -0.04 -1.26 -4.84 135.00 135.00 2kl3 n PRO 113 Ca 0.03 -0.28 -0.08 0.00 -0.04 0.00 0.00 63.50 63.13 2kl3 n PRO 113 Cb 0.49 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 s ALA 114 N -2.45 -1.57 -1.12 0.55 0.00 -1.26 -5.08 121.76 110.82 2kl3 s ALA 114 Ca 0.29 2.07 -0.11 0.00 0.00 0.00 0.00 51.96 54.21 2kl3 s ALA 114 Cb 0.20 -1.29 0.24 0.00 0.00 0.00 0.00 23.12 22.28 2kl3 s ALA 114 CO 0.47 -0.41 1.19 0.20 0.00 0.00 0.00 175.76 177.21 2kl3 s GLY 115 N 1.72 2.95 0.09 0.00 0.00 -1.26 -5.04 107.32 105.78 2kl3 s GLY 115 Ca -0.09 -3.66 -0.10 0.00 0.00 0.00 0.00 44.72 40.87 2kl3 s GLY 115 CO -0.17 1.54 0.41 0.00 0.00 0.00 0.00 173.10 174.89 2kl3 s ALA 116 N -0.31 3.71 -0.02 3.20 0.00 -1.26 -5.09 121.76 122.00 2kl3 s ALA 116 Ca 0.34 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 2kl3 s ALA 116 Cb -0.08 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 2kl3 s ALA 116 CO -0.06 0.56 0.31 -0.51 0.00 0.00 0.00 175.76 176.06 2kl3 s ASP 117 N -1.80 6.60 0.31 0.00 1.01 -1.26 -5.10 116.67 116.43 2kl3 s ASP 117 Ca 0.34 0.72 0.00 0.00 0.71 0.00 0.00 52.55 54.32 2kl3 s ASP 117 Cb -0.14 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2kl3 s ASP 117 CO 0.18 0.31 0.52 -1.81 0.21 0.00 0.00 175.17 174.58 2kl3 s ASP 118 N -1.32 6.32 0.42 0.27 1.01 -1.26 -4.97 116.67 117.14 2kl3 s ASP 118 Ca 0.24 0.44 0.15 0.00 0.71 0.00 0.00 52.55 54.10 2kl3 s ASP 118 Cb -0.14 -2.03 1.04 0.00 1.01 0.00 0.00 42.92 42.80 2kl3 s ASP 118 CO 0.12 -0.24 1.92 0.10 0.21 0.00 0.00 175.17 177.29 2kl3 h TYR 119 N 1.04 0.50 -6.46 4.23 -0.00 -2.09 -3.47 116.97 110.73 2kl3 h TYR 119 Ca -0.49 0.01 -0.45 0.00 -0.00 0.00 0.00 58.73 57.80 2kl3 h TYR 119 Cb 1.21 -0.16 0.03 0.00 -0.00 0.00 0.00 36.73 37.82 2kl3 h TYR 119 CO 0.52 0.19 -0.90 -1.71 -0.00 0.00 0.00 178.16 176.26 2kl3 n ASN 120 N -4.48 -5.17 -4.70 0.10 2.85 -1.26 -4.88 115.26 97.72 2kl3 n ASN 120 Ca 0.14 -0.98 -0.42 0.00 -0.11 0.00 0.00 54.58 53.21 2kl3 n ASN 120 Cb 0.52 -2.70 -0.03 0.00 1.24 0.00 0.00 39.78 38.82 2kl3 n ASN 120 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kl3 s VAL 121 N -3.31 3.22 -0.86 3.44 0.11 -1.26 -4.89 120.40 116.84 2kl3 s VAL 121 Ca 0.31 0.77 -0.25 0.00 -2.93 0.00 0.00 61.98 59.88 2kl3 s VAL 121 Cb -0.14 -3.49 -0.09 0.00 -1.53 0.00 0.00 36.38 31.14 2kl3 s VAL 121 CO 0.89 0.03 2.13 -0.69 -3.33 0.00 0.00 175.10 174.13 2kl3 s VAL 122 N 1.88 3.27 0.00 2.04 1.01 -1.26 -4.81 120.40 122.53 2kl3 s VAL 122 Ca 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2kl3 s VAL 122 Cb -0.37 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2kl3 s VAL 122 CO 0.30 -0.57 0.30 -1.54 0.00 0.00 0.00 175.10 173.59 2kl3 n SER 123 N 15.92 0.00 -2.54 3.32 3.41 -1.26 -5.05 113.62 127.42 2kl3 n SER 123 Ca 0.43 0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 59.43 2kl3 n SER 123 Cb 0.45 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2kl3 n SER 123 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2kl3 n ARG 124 N -1.15 -4.57 -0.05 4.33 0.00 -1.26 -4.96 116.66 109.00 2kl3 n ARG 124 Ca 0.00 3.40 0.03 0.00 -0.00 0.00 0.00 57.85 61.28 2kl3 n ARG 124 Cb 0.00 -4.68 0.05 0.00 0.00 0.00 0.00 32.46 27.83 2kl3 n ARG 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2kl3 n LEU 125 N 1.82 2.06 -4.61 6.15 7.94 -1.26 -5.01 117.00 124.08 2kl3 n LEU 125 Ca -0.27 -1.62 -0.43 0.00 -1.11 0.00 0.00 56.01 52.58 2kl3 n LEU 125 Cb 0.42 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.28 2kl3 n LEU 125 CO 0.25 0.49 1.21 -1.61 -1.11 0.00 0.00 177.39 176.62 2kl3 s GLU 126 N -0.79 3.72 0.21 1.96 8.01 -1.26 -5.01 118.70 125.55 2kl3 s GLU 126 Ca 0.09 1.10 -0.30 0.00 0.01 0.00 0.00 54.97 55.87 2kl3 s GLU 126 Cb 0.05 -3.97 -0.09 0.00 -4.31 0.00 0.00 34.13 25.81 2kl3 s GLU 126 CO 0.07 -1.38 1.38 -1.58 0.01 0.00 0.00 175.26 173.76 2kl3 s HIS 127 N 5.02 3.15 1.09 1.61 5.65 -1.26 -4.99 115.29 125.55 2kl3 s HIS 127 Ca 0.60 1.10 -0.15 0.00 0.25 0.00 0.00 55.06 56.86 2kl3 s HIS 127 Cb -0.15 -3.71 0.15 0.00 -1.18 0.00 0.00 32.58 27.69 2kl3 s HIS 127 CO 0.29 -2.31 0.51 0.72 -0.65 0.00 0.00 174.74 173.30 2kl3 n HIS 128 N 2.64 -1.14 -1.49 3.88 8.25 -1.26 -4.85 115.22 121.25 2kl3 n HIS 128 Ca 0.07 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 2kl3 n HIS 128 Cb 0.41 -1.69 0.01 0.00 1.12 0.00 0.00 29.99 29.85 2kl3 n HIS 128 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kl3 n HIS 129 N -4.43 -0.19 -1.14 4.41 1.44 -1.26 -5.03 115.22 109.02 2kl3 n HIS 129 Ca 0.04 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.32 2kl3 n HIS 129 Cb 0.57 -2.03 0.00 0.00 0.12 0.00 0.00 29.99 28.65 2kl3 n HIS 129 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kl3 n HIS 130 N -0.91 0.00 -1.60 -1.40 8.25 -1.26 -5.10 115.22 113.19 2kl3 n HIS 130 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 2kl3 n HIS 130 Cb 0.41 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.59 2kl3 n HIS 130 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl3 s HIS 131 N 1.65 2.99 -2.00 4.41 3.76 -1.26 -5.26 115.29 119.59 2kl3 s HIS 131 Ca 0.00 1.22 0.10 0.00 -0.15 0.00 0.00 55.06 56.23 2kl3 s HIS 131 Cb 0.00 -3.03 0.58 0.00 1.11 0.00 0.00 32.58 31.24 2kl3 s HIS 131 CO 0.00 -1.51 1.03 0.72 -0.85 0.00 0.00 174.74 174.12