#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 4.02 0.12 2.12 8.01 -1.26 -5.00 118.70 126.71 2kl3 s GLU 2 Ca 0.00 0.95 -0.15 0.00 0.01 0.00 0.00 54.97 55.79 2kl3 s GLU 2 Cb 0.00 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.60 2kl3 s GLU 2 CO 0.00 -0.17 1.52 -1.00 0.01 0.00 0.00 175.26 175.63 2kl3 h PRO 3 N 1.27 0.71 -2.49 0.39 0.13 -1.97 -3.38 132.00 126.66 2kl3 h PRO 3 Ca -0.47 -0.27 -0.17 0.00 -0.87 0.00 0.00 66.00 64.22 2kl3 h PRO 3 Cb 1.18 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.97 2kl3 h PRO 3 CO 0.62 0.86 -0.47 1.14 -0.23 0.00 0.00 178.00 179.91 2kl3 s GLN 4 N -4.80 0.26 -0.06 0.86 0.00 -1.26 -2.39 119.66 112.26 2kl3 s GLN 4 Ca -0.13 0.76 -0.13 0.00 -0.00 0.00 0.00 55.36 55.86 2kl3 s GLN 4 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 33.01 32.95 2kl3 s GLN 4 CO 0.80 -0.39 0.33 -1.12 0.00 0.00 0.00 175.29 174.92 2kl3 s SER 5 N 2.51 6.65 0.28 12.60 0.01 0.23 -4.82 113.70 131.17 2kl3 s SER 5 Ca 0.03 0.77 -0.29 0.00 1.31 0.00 0.00 55.95 57.77 2kl3 s SER 5 Cb -0.13 -2.20 -0.10 0.00 0.21 0.00 0.00 66.02 63.81 2kl3 s SER 5 CO -0.12 0.31 1.15 -0.62 0.41 0.00 0.00 173.24 174.37 2kl3 s ASP 6 N -0.81 7.15 0.23 2.44 2.15 -1.26 -0.51 116.67 126.07 2kl3 s ASP 6 Ca 0.21 2.35 -0.07 0.00 0.43 0.00 0.00 52.55 55.47 2kl3 s ASP 6 Cb -0.15 -2.63 0.31 0.00 -0.30 0.00 0.00 42.92 40.15 2kl3 s ASP 6 CO 0.10 -0.24 1.82 0.00 -0.17 0.00 0.00 175.17 176.67 2kl3 h ALA 7 N 3.86 1.05 -0.77 3.66 0.00 -1.89 -0.10 119.26 125.07 2kl3 h ALA 7 Ca -0.47 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2kl3 h ALA 7 Cb 1.21 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2kl3 h ALA 7 CO 0.67 0.12 0.34 1.25 0.00 0.00 0.00 179.25 181.62 2kl3 h HIS 8 N 0.78 1.13 -0.56 0.00 -0.00 -1.89 -0.12 115.15 114.50 2kl3 h HIS 8 Ca 0.35 -0.07 -0.09 0.00 -0.00 0.00 0.00 60.37 60.56 2kl3 h HIS 8 Cb 0.24 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2kl3 h HIS 8 CO -0.06 0.84 -0.01 0.28 -0.00 0.00 0.00 177.93 178.98 2kl3 h VAL 9 N 1.11 1.26 -0.50 5.26 2.07 -1.73 -2.68 116.25 121.04 2kl3 h VAL 9 Ca 0.26 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2kl3 h VAL 9 Cb 0.16 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2kl3 h VAL 9 CO -0.03 0.40 0.09 0.25 0.02 0.00 0.00 177.57 178.30 2kl3 h LEU 10 N 0.89 0.79 -0.64 2.57 5.85 -0.52 -2.44 115.31 121.81 2kl3 h LEU 10 Ca 0.16 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kl3 h LEU 10 Cb 0.53 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2kl3 h LEU 10 CO 0.03 0.84 0.42 0.50 -0.34 0.00 0.00 178.44 179.89 2kl3 h LYS 11 N 0.71 0.85 -0.05 1.25 3.64 -0.95 -0.35 116.57 121.67 2kl3 h LYS 11 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2kl3 h LYS 11 Cb 0.38 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2kl3 h LYS 11 CO 0.01 0.57 -0.18 0.66 -2.27 0.00 0.00 179.45 178.24 2kl3 h SER 12 N 0.87 0.07 0.82 4.20 4.64 -1.40 -0.81 113.55 121.94 2kl3 h SER 12 Ca 0.24 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 2kl3 h SER 12 Cb -0.09 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2kl3 h SER 12 CO -0.05 0.26 -0.45 0.03 -0.87 0.00 0.00 176.83 175.74 2kl3 h ARG 13 N 0.07 0.00 -0.07 4.77 3.08 -0.79 0.75 114.38 122.19 2kl3 h ARG 13 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2kl3 h ARG 13 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2kl3 h ARG 13 CO 0.02 0.45 -0.17 1.25 -1.07 0.00 0.00 179.97 180.46 2kl3 h LEU 14 N 0.00 0.27 0.00 3.04 6.46 0.18 0.36 115.31 125.61 2kl3 h LEU 14 Ca -0.00 -0.58 -0.01 0.00 -0.12 0.00 0.00 57.88 57.17 2kl3 h LEU 14 Cb 0.99 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2kl3 h LEU 14 CO 0.06 0.80 -0.04 -0.33 -0.62 0.00 0.00 178.44 178.31 2kl3 h GLU 15 N -0.25 0.00 0.07 1.25 5.08 -1.19 -3.42 114.58 116.12 2kl3 h GLU 15 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2kl3 h GLU 15 Cb 0.76 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2kl3 h GLU 15 CO 0.04 0.69 -2.17 0.91 -1.00 0.00 0.00 179.01 177.47 2kl3 n TRP 16 N -4.66 0.77 0.00 4.33 7.02 0.24 -4.89 117.44 120.25 2kl3 n TRP 16 Ca -0.08 0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2kl3 n TRP 16 Cb 0.34 -1.10 0.00 0.00 -2.42 0.00 0.00 31.31 28.13 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 2.07 -0.72 3.60 6.99 0.00 -0.11 -4.95 105.19 112.08 2kl3 n GLY 17 Ca -0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 2kl3 n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kl3 s GLU 18 N 0.00 0.41 0.00 1.61 -1.05 0.12 -4.95 118.70 114.85 2kl3 s GLU 18 Ca 0.00 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 2kl3 s GLU 18 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 2kl3 s GLU 18 CO 0.00 -0.12 0.88 -2.30 0.95 0.00 0.00 175.26 174.67 2kl3 n PRO 19 N 0.89 0.70 0.00 -4.83 -0.02 -1.26 -4.10 135.00 126.38 2kl3 n PRO 19 Ca -0.08 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2kl3 n PRO 19 Cb 0.58 -1.15 0.69 0.00 -0.02 0.00 0.00 33.50 33.60 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 0.91 2.35 -2.83 3.55 0.00 -1.26 -4.81 120.51 118.41 2kl3 n ALA 20 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2kl3 n ALA 20 Cb 0.35 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.49 3.13 -0.11 0.00 -0.12 -1.26 -4.47 117.98 112.66 2kl3 s PHE 21 Ca 0.27 -0.10 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 2kl3 s PHE 21 Cb 0.18 -1.41 0.01 0.00 -0.63 0.00 0.00 43.02 41.17 2kl3 s PHE 21 CO 0.39 0.52 -0.16 0.99 -0.05 0.00 0.00 175.22 176.91 2kl3 s THR 22 N -2.12 1.55 -0.15 -4.49 2.01 -0.06 -5.02 115.64 107.36 2kl3 s THR 22 Ca 0.33 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 2kl3 s THR 22 Cb -0.08 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 2kl3 s THR 22 CO 0.25 0.45 0.26 -0.63 -0.69 0.00 0.00 174.62 174.27 2kl3 s ILE 23 N 0.96 5.32 -0.16 1.82 1.09 -1.26 -0.41 121.20 128.55 2kl3 s ILE 23 Ca -0.07 0.49 -0.02 0.00 -1.10 0.00 0.00 60.65 59.95 2kl3 s ILE 23 Cb -0.15 -3.59 -0.01 0.00 -1.06 0.00 0.00 42.46 37.64 2kl3 s ILE 23 CO -0.01 0.44 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.42 2kl3 s LEU 24 N 0.15 2.85 -0.72 2.97 1.43 0.15 -0.65 118.68 124.86 2kl3 s LEU 24 Ca 0.16 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 2kl3 s LEU 24 Cb -0.13 -1.68 0.08 0.00 0.03 0.00 0.00 46.19 44.49 2kl3 s LEU 24 CO 0.04 0.11 1.03 -0.62 0.23 0.00 0.00 176.35 177.14 2kl3 s ASP 25 N 0.71 6.25 -0.01 2.29 -1.08 -0.71 -2.28 116.67 121.84 2kl3 s ASP 25 Ca -0.04 -1.12 0.18 0.00 -0.52 0.00 0.00 52.55 51.04 2kl3 s ASP 25 Cb -0.15 -2.43 0.54 0.00 -1.46 0.00 0.00 42.92 39.42 2kl3 s ASP 25 CO 0.02 -1.42 1.45 1.33 0.52 0.00 0.00 175.17 177.06 2kl3 n VAL 26 N 5.94 0.90 0.06 1.11 0.24 -1.03 -3.01 118.33 122.53 2kl3 n VAL 26 Ca 0.02 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.34 61.47 2kl3 n VAL 26 Cb 0.46 0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 33.17 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kl3 h ARG 27 N 3.48 -0.16 -1.07 7.34 3.08 -1.85 -2.45 114.38 122.76 2kl3 h ARG 27 Ca 0.00 0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.37 2kl3 h ARG 27 Cb 0.86 0.04 -0.22 0.00 0.08 0.00 0.00 29.97 30.72 2kl3 h ARG 27 CO 0.03 -0.11 0.97 0.34 -1.07 0.00 0.00 179.97 180.13 2kl3 s ASP 28 N -2.82 -0.02 0.26 7.04 2.15 -1.26 -4.54 116.67 117.47 2kl3 s ASP 28 Ca -0.02 0.01 -0.02 0.00 0.43 0.00 0.00 52.55 52.94 2kl3 s ASP 28 Cb 0.00 0.02 0.43 0.00 -0.30 0.00 0.00 42.92 43.08 2kl3 s ASP 28 CO 0.07 -0.03 1.84 -0.09 -0.17 0.00 0.00 175.17 176.79 2kl3 h ARG 29 N 2.01 0.93 -0.01 4.34 9.65 -1.95 0.21 114.38 129.56 2kl3 h ARG 29 Ca -0.04 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2kl3 h ARG 29 Cb 1.14 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2kl3 h ARG 29 CO 0.19 0.61 -0.02 0.66 2.80 0.00 0.00 179.97 184.22 2kl3 h SER 30 N 0.95 0.04 -0.19 -3.80 4.64 -1.99 -2.74 113.55 110.45 2kl3 h SER 30 Ca 0.43 -0.58 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2kl3 h SER 30 Cb 0.33 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2kl3 h SER 30 CO -0.23 0.61 0.11 0.74 -0.87 0.00 0.00 176.83 177.20 2kl3 h THR 31 N -0.54 1.07 0.27 2.95 2.02 -1.88 0.21 112.91 117.01 2kl3 h THR 31 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2kl3 h THR 31 Cb 0.61 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2kl3 h THR 31 CO 0.00 0.08 -0.24 0.22 0.37 0.00 0.00 175.52 175.95 2kl3 h TYR 32 N 0.29 -0.65 -0.35 3.16 3.20 -0.54 -1.61 116.97 120.47 2kl3 h TYR 32 Ca 0.08 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2kl3 h TYR 32 Cb 0.02 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2kl3 h TYR 32 CO 0.00 -0.36 0.11 -0.91 -1.64 0.00 0.00 178.16 175.36 2kl3 h ASN 33 N -0.54 0.46 -0.13 -2.11 2.35 -0.99 -2.86 115.58 111.76 2kl3 h ASN 33 Ca -0.01 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2kl3 h ASN 33 Cb 0.49 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2kl3 h ASN 33 CO -0.04 0.45 0.00 -0.78 -1.65 0.00 0.00 177.43 175.41 2kl3 h ASP 34 N 0.50 -0.04 -0.11 5.81 1.82 -0.28 0.40 116.42 124.52 2kl3 h ASP 34 Ca 0.12 0.03 0.28 0.00 -0.39 0.00 0.00 57.03 57.07 2kl3 h ASP 34 Cb 0.16 0.05 -0.23 0.00 0.68 0.00 0.00 39.33 39.98 2kl3 h ASP 34 CO -0.01 0.00 0.36 -0.83 -1.61 0.00 0.00 179.24 177.15 2kl3 s GLY 35 N -2.42 0.02 0.23 -0.78 0.00 -0.64 -0.93 107.32 102.81 2kl3 s GLY 35 Ca -0.13 3.29 0.03 0.00 0.00 0.00 0.00 44.72 47.91 2kl3 s GLY 35 CO 0.68 3.78 0.02 -2.38 0.00 0.00 0.00 173.10 175.19 2kl3 s HIS 36 N 2.69 1.55 0.32 1.90 -3.43 0.81 -4.75 115.29 114.38 2kl3 s HIS 36 Ca -0.06 -0.98 -0.29 0.00 -0.80 0.00 0.00 55.06 52.93 2kl3 s HIS 36 Cb -0.06 -0.91 -0.11 0.00 -1.43 0.00 0.00 32.58 30.08 2kl3 s HIS 36 CO -0.10 -0.10 1.46 0.42 -2.00 0.00 0.00 174.74 174.42 2kl3 s ILE 37 N -3.49 2.31 -0.20 -5.38 1.01 -1.26 -0.55 121.20 113.64 2kl3 s ILE 37 Ca 0.30 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 2kl3 s ILE 37 Cb 0.06 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2kl3 s ILE 37 CO 0.09 0.06 2.04 -0.32 0.00 0.00 0.00 174.94 176.82 2kl3 s MET 38 N -1.32 3.38 0.00 2.79 -2.45 -0.49 -1.57 119.30 119.64 2kl3 s MET 38 Ca 0.56 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.96 2kl3 s MET 38 Cb -0.44 -4.28 0.00 0.00 1.25 0.00 0.00 34.83 31.36 2kl3 s MET 38 CO 0.54 -1.81 0.00 0.41 1.05 0.00 0.00 175.02 175.21 2kl3 n GLY 39 N 5.41 0.81 3.92 2.11 0.00 -1.26 -4.96 105.19 111.22 2kl3 n GLY 39 Ca 0.26 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 3.57 0.12 4.61 0.00 -0.61 -4.69 121.76 122.77 2kl3 s ALA 40 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 2kl3 s ALA 40 Cb 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 2kl3 s ALA 40 CO 0.00 -0.09 0.57 -1.64 0.00 0.00 0.00 175.76 174.60 2kl3 s MET 41 N -4.31 4.09 -1.25 0.00 -1.94 0.17 -4.94 119.30 111.13 2kl3 s MET 41 Ca 0.44 0.63 -0.19 0.00 -1.71 0.00 0.00 55.69 54.86 2kl3 s MET 41 Cb -0.10 -3.06 0.07 0.00 2.01 0.00 0.00 34.83 33.75 2kl3 s MET 41 CO 0.38 0.55 1.68 0.00 -0.01 0.00 0.00 175.02 177.61 2kl3 s ALA 42 N -1.31 3.27 -0.52 3.03 0.00 -1.26 -1.75 121.76 123.22 2kl3 s ALA 42 Ca 0.34 -2.85 0.04 0.00 0.00 0.00 0.00 51.96 49.50 2kl3 s ALA 42 Cb -0.17 -4.60 0.17 0.00 0.00 0.00 0.00 23.12 18.52 2kl3 s ALA 42 CO 0.19 -3.32 0.41 -0.12 0.00 0.00 0.00 175.76 172.92 2kl3 n MET 43 N 8.31 0.82 -2.22 0.00 0.00 -1.21 -4.99 117.12 117.83 2kl3 n MET 43 Ca 0.46 -3.67 -0.38 0.00 0.00 0.00 0.00 57.70 54.11 2kl3 n MET 43 Cb 0.47 -1.89 -0.01 0.00 0.00 0.00 0.00 33.22 31.79 2kl3 n MET 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2kl3 s PRO 44 N -0.55 3.87 0.55 2.12 0.04 -1.16 -3.63 135.00 136.23 2kl3 s PRO 44 Ca 0.30 1.87 0.27 0.00 0.04 0.00 0.00 61.00 63.48 2kl3 s PRO 44 Cb 0.02 -2.54 1.45 0.00 0.04 0.00 0.00 34.50 33.47 2kl3 s PRO 44 CO -0.19 -0.49 1.97 0.97 0.04 0.00 0.00 177.00 179.31 2kl3 h ILE 45 N 2.10 0.60 0.00 0.56 2.10 -1.67 0.34 117.51 121.54 2kl3 h ILE 45 Ca -0.49 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.34 2kl3 h ILE 45 Cb 1.24 0.70 -0.02 0.00 -1.09 0.00 0.00 36.82 37.65 2kl3 h ILE 45 CO 0.61 0.00 -0.51 -0.33 -1.08 0.00 0.00 178.15 176.85 2kl3 h GLU 46 N 0.00 0.00 -0.08 2.19 5.08 -1.90 -3.16 114.58 116.70 2kl3 h GLU 46 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2kl3 h GLU 46 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kl3 h GLU 46 CO -0.00 0.51 0.00 -3.47 -1.00 0.00 0.00 179.01 175.04 2kl3 n ASP 47 N -3.68 1.97 -0.13 1.42 -0.08 0.61 -4.82 116.55 111.83 2kl3 n ASP 47 Ca -0.01 -1.53 -0.07 0.00 -1.51 0.00 0.00 54.79 51.67 2kl3 n ASP 47 Cb 0.57 -0.05 -0.01 0.00 2.34 0.00 0.00 41.12 43.96 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2kl3 h LEU 48 N 1.54 -1.10 -0.32 -2.67 5.85 -0.47 0.21 115.31 118.35 2kl3 h LEU 48 Ca 0.00 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2kl3 h LEU 48 Cb 0.43 0.52 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2kl3 h LEU 48 CO 0.00 -0.32 -0.01 0.58 -0.34 0.00 0.00 178.44 178.35 2kl3 h VAL 49 N -0.24 0.76 0.03 1.05 2.07 -1.87 0.13 116.25 118.18 2kl3 h VAL 49 Ca 0.18 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2kl3 h VAL 49 Cb 0.54 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2kl3 h VAL 49 CO -0.56 0.01 -0.02 0.44 0.02 0.00 0.00 177.57 177.46 2kl3 h ASP 50 N 0.08 -0.04 0.26 0.57 5.19 -1.66 -1.75 116.42 119.08 2kl3 h ASP 50 Ca 0.15 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2kl3 h ASP 50 Cb 0.21 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2kl3 h ASP 50 CO -0.27 0.28 -0.26 0.03 -3.12 0.00 0.00 179.24 175.90 2kl3 h ARG 51 N -0.36 -0.53 -0.00 3.56 2.47 -0.51 -2.43 114.38 116.59 2kl3 h ARG 51 Ca -0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2kl3 h ARG 51 Cb 0.33 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2kl3 h ARG 51 CO 0.01 -0.35 0.00 0.00 0.56 0.00 0.00 179.97 180.19 2kl3 h ALA 52 N 0.09 0.01 -0.12 0.04 0.00 -0.79 -0.84 119.26 117.66 2kl3 h ALA 52 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kl3 h ALA 52 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kl3 h ALA 52 CO -0.05 -0.49 0.11 0.66 0.00 0.00 0.00 179.25 179.48 2kl3 h SER 53 N -0.00 0.00 1.06 0.00 4.64 -1.32 0.57 113.55 118.49 2kl3 h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kl3 h SER 53 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2kl3 h SER 53 CO -0.00 0.00 -0.76 -1.28 -0.87 0.00 0.00 176.83 173.92 2kl3 h SER 54 N 0.00 0.00 0.00 4.97 0.87 -0.86 -3.41 113.55 115.13 2kl3 h SER 54 Ca 0.06 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2kl3 h SER 54 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2kl3 h SER 54 CO -0.00 0.04 -0.05 -1.20 -0.53 0.00 0.00 176.83 175.09 2kl3 n SER 55 N -2.53 0.25 -4.33 6.23 7.64 -0.39 -5.09 113.62 115.41 2kl3 n SER 55 Ca 0.02 -0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.45 2kl3 n SER 55 Cb 0.51 0.60 -0.10 0.00 -1.01 0.00 0.00 64.21 64.21 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 -1.25 2.02 0.14 -3.43 1.43 0.19 -5.03 118.68 112.75 2kl3 s LEU 56 Ca 0.00 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 51.87 2kl3 s LEU 56 Cb 0.00 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2kl3 s LEU 56 CO 0.00 -0.59 0.06 -0.70 0.23 0.00 0.00 176.35 175.35 2kl3 s GLU 57 N -3.92 2.69 0.45 1.70 2.56 -1.26 -4.70 118.70 116.22 2kl3 s GLU 57 Ca 0.31 -0.90 0.13 0.00 0.00 0.00 0.00 54.97 54.51 2kl3 s GLU 57 Cb 0.07 -2.56 1.00 0.00 2.00 0.00 0.00 34.13 34.64 2kl3 s GLU 57 CO 0.10 0.50 2.02 0.87 -0.56 0.00 0.00 175.26 178.19 2kl3 h LYS 58 N 2.81 0.09 0.00 4.30 1.79 -1.96 -2.30 116.57 121.30 2kl3 h LYS 58 Ca -0.47 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2kl3 h LYS 58 Cb 1.19 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2kl3 h LYS 58 CO 0.61 0.20 -0.33 -1.13 -1.08 0.00 0.00 179.45 177.72 2kl3 n SER 59 N -4.37 0.36 -4.69 0.86 3.41 -1.26 -0.08 113.62 107.85 2kl3 n SER 59 Ca -0.02 0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 2kl3 n SER 59 Cb 0.20 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kl3 s ARG 60 N -3.02 4.18 -0.63 4.33 6.06 -0.87 -4.62 118.95 124.40 2kl3 s ARG 60 Ca 0.12 2.41 -0.26 0.00 -2.50 0.00 0.00 55.73 55.50 2kl3 s ARG 60 Cb 0.18 -3.58 -0.03 0.00 0.06 0.00 0.00 34.95 31.57 2kl3 s ARG 60 CO 0.64 -0.76 1.96 -0.51 -2.50 0.00 0.00 175.30 174.14 2kl3 s ASP 61 N 2.45 5.10 -0.20 -2.12 1.01 -1.26 -4.27 116.67 117.38 2kl3 s ASP 61 Ca 0.76 0.35 -0.09 0.00 0.71 0.00 0.00 52.55 54.28 2kl3 s ASP 61 Cb -0.42 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 40.94 2kl3 s ASP 61 CO 0.33 -2.52 0.10 -0.63 0.21 0.00 0.00 175.17 172.67 2kl3 s ILE 62 N 9.78 5.12 -0.26 0.77 1.01 0.80 -0.88 121.20 137.54 2kl3 s ILE 62 Ca 0.73 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.41 2kl3 s ILE 62 Cb -0.13 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 2kl3 s ILE 62 CO 0.19 0.43 0.03 -0.31 0.00 0.00 0.00 174.94 175.29 2kl3 s TYR 63 N 0.48 3.07 -0.13 3.97 2.02 0.46 -0.83 117.35 126.39 2kl3 s TYR 63 Ca 0.06 -0.89 -0.05 0.00 -0.37 0.00 0.00 57.07 55.82 2kl3 s TYR 63 Cb -0.12 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 2kl3 s TYR 63 CO -0.00 -0.53 0.04 0.08 -1.57 0.00 0.00 175.55 173.57 2kl3 s VAL 64 N 1.50 4.63 -0.03 0.71 1.01 -0.77 -0.68 120.40 126.78 2kl3 s VAL 64 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2kl3 s VAL 64 Cb -0.16 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2kl3 s VAL 64 CO 0.00 0.54 0.00 -0.72 0.00 0.00 0.00 175.10 174.93 2kl3 s TYR 65 N -0.33 0.31 0.13 5.22 1.13 -0.96 -1.09 117.35 121.77 2kl3 s TYR 65 Ca 0.08 0.01 0.02 0.00 -1.41 0.00 0.00 57.07 55.76 2kl3 s TYR 65 Cb -0.12 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.32 2kl3 s TYR 65 CO 0.02 -0.15 0.14 0.41 -2.51 0.00 0.00 175.55 173.46 2kl3 n GLY 66 N 4.28 2.45 0.26 5.49 0.00 -1.26 -2.48 105.19 113.93 2kl3 n GLY 66 Ca -0.24 -2.18 0.16 0.00 0.00 0.00 0.00 46.02 43.77 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 0.57 1.00 -2.59 4.61 0.00 -1.93 -3.39 119.26 117.54 2kl3 h ALA 67 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2kl3 h ALA 67 Cb 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 2kl3 h ALA 67 CO 0.11 0.00 -0.41 0.20 0.00 0.00 0.00 179.25 179.15 2kl3 s GLY 68 N -4.16 0.04 0.32 0.00 0.00 -1.26 -4.89 107.32 97.37 2kl3 s GLY 68 Ca 0.03 -0.28 0.09 0.00 0.00 0.00 0.00 44.72 44.56 2kl3 s GLY 68 CO 0.57 -0.45 1.70 -0.55 0.00 0.00 0.00 173.10 174.36 2kl3 h ASP 69 N 3.54 0.51 0.15 1.64 5.19 -1.92 -1.05 116.42 124.48 2kl3 h ASP 69 Ca -0.32 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2kl3 h ASP 69 Cb 1.19 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2kl3 h ASP 69 CO 0.48 -0.01 -0.07 -0.08 -3.12 0.00 0.00 179.24 176.44 2kl3 h GLU 70 N 0.44 -0.19 -0.57 3.56 4.81 -1.98 -0.84 114.58 119.81 2kl3 h GLU 70 Ca 0.65 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.88 2kl3 h GLU 70 Cb 1.32 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 2kl3 h GLU 70 CO -0.54 -0.12 0.30 0.37 -0.73 0.00 0.00 179.01 178.30 2kl3 h GLN 71 N -0.21 0.79 0.37 1.92 4.15 -1.62 -1.38 115.11 119.13 2kl3 h GLN 71 Ca -0.02 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2kl3 h GLN 71 Cb 0.16 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2kl3 h GLN 71 CO 0.03 0.59 -0.24 1.15 -1.93 0.00 0.00 178.83 178.43 2kl3 h THR 72 N 0.80 0.50 -0.70 2.39 2.02 -1.09 -2.17 112.91 114.65 2kl3 h THR 72 Ca 0.20 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.43 2kl3 h THR 72 Cb 0.04 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2kl3 h THR 72 CO -0.03 0.00 0.42 -1.28 0.37 0.00 0.00 175.52 175.00 2kl3 h SER 73 N -0.60 0.65 -0.33 4.18 0.87 -0.62 -1.19 113.55 116.51 2kl3 h SER 73 Ca -0.04 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2kl3 h SER 73 Cb 0.50 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2kl3 h SER 73 CO 0.03 0.43 0.07 -0.61 -0.53 0.00 0.00 176.83 176.22 2kl3 h GLN 74 N 0.78 0.54 -0.44 2.24 4.15 -1.24 -1.85 115.11 119.29 2kl3 h GLN 74 Ca 0.30 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2kl3 h GLN 74 Cb 0.13 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2kl3 h GLN 74 CO -0.16 0.62 0.23 0.00 -1.93 0.00 0.00 178.83 177.59 2kl3 h ALA 75 N 0.91 0.57 -0.57 3.38 0.00 -1.09 -2.03 119.26 120.43 2kl3 h ALA 75 Ca 0.10 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2kl3 h ALA 75 Cb 0.33 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2kl3 h ALA 75 CO 0.00 0.11 0.13 0.28 0.00 0.00 0.00 179.25 179.78 2kl3 h VAL 76 N 0.58 0.68 -0.34 0.00 2.07 -1.10 -1.69 116.25 116.45 2kl3 h VAL 76 Ca 0.15 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2kl3 h VAL 76 Cb 0.09 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 2kl3 h VAL 76 CO -0.02 0.05 -0.00 -1.13 0.02 0.00 0.00 177.57 176.48 2kl3 h ASN 77 N 0.27 -0.15 -0.36 0.57 -1.24 -0.94 -2.38 115.58 111.36 2kl3 h ASN 77 Ca 0.29 0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.39 2kl3 h ASN 77 Cb 0.41 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 2kl3 h ASN 77 CO -0.36 -0.04 0.24 -0.07 -1.29 0.00 0.00 177.43 175.91 2kl3 h LEU 78 N 0.09 0.40 0.18 0.34 3.38 -0.62 0.24 115.31 119.32 2kl3 h LEU 78 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2kl3 h LEU 78 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kl3 h LEU 78 CO -0.28 0.28 -0.09 -0.07 0.09 0.00 0.00 178.44 178.37 2kl3 h LEU 79 N 0.47 -0.21 -1.68 1.67 3.38 -0.85 0.10 115.31 118.20 2kl3 h LEU 79 Ca 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2kl3 h LEU 79 Cb -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kl3 h LEU 79 CO -0.03 0.20 -0.17 0.08 0.09 0.00 0.00 178.44 178.61 2kl3 h ARG 80 N -0.65 0.00 -0.07 1.13 0.11 -1.21 0.12 114.38 113.80 2kl3 h ARG 80 Ca -0.03 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.96 2kl3 h ARG 80 Cb 0.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 2kl3 h ARG 80 CO 0.04 0.17 -0.38 1.03 0.10 0.00 0.00 179.97 180.93 2kl3 h SER 81 N 0.00 0.16 -0.03 0.08 0.87 -0.44 -2.39 113.55 111.80 2kl3 h SER 81 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2kl3 h SER 81 Cb 0.46 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2kl3 h SER 81 CO 0.02 0.53 0.00 0.00 -0.53 0.00 0.00 176.83 176.85 2kl3 n ALA 82 N -2.47 2.61 0.00 6.23 0.00 0.35 -4.91 120.51 122.32 2kl3 n ALA 82 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2kl3 n ALA 82 Cb 0.44 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.94 1.92 3.57 0.00 0.00 -0.59 -5.02 105.19 106.01 2kl3 n GLY 83 Ca 0.17 -0.07 -0.54 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.84 0.05 1.61 3.72 -0.42 -4.84 117.46 119.41 2kl3 n PHE 84 Ca 0.00 0.41 -0.09 0.00 -0.05 0.00 0.00 57.45 57.71 2kl3 n PHE 84 Cb 0.00 -2.49 -0.07 0.00 -0.94 0.00 0.00 39.48 35.98 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2kl3 h GLU 85 N 9.53 -0.21 -4.84 -1.08 5.08 -0.81 -3.26 114.58 118.99 2kl3 h GLU 85 Ca -0.36 0.01 -0.71 0.00 -1.00 0.00 0.00 59.36 57.30 2kl3 h GLU 85 Cb 1.32 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.44 2kl3 h GLU 85 CO 0.99 0.18 0.86 -1.01 -1.00 0.00 0.00 179.01 179.03 2kl3 s HIS 86 N -3.06 3.27 -0.00 4.33 3.76 -1.06 -4.97 115.29 117.55 2kl3 s HIS 86 Ca -0.11 -1.61 0.02 0.00 -0.15 0.00 0.00 55.06 53.22 2kl3 s HIS 86 Cb 0.00 -4.24 -0.01 0.00 1.11 0.00 0.00 32.58 29.45 2kl3 s HIS 86 CO 0.40 -1.42 -0.07 0.08 -0.85 0.00 0.00 174.74 172.88 2kl3 s VAL 87 N 2.18 0.55 0.04 -0.90 1.01 -1.26 -0.14 120.40 121.88 2kl3 s VAL 87 Ca 0.33 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2kl3 s VAL 87 Cb -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2kl3 s VAL 87 CO -0.08 0.12 -0.09 -0.55 0.00 0.00 0.00 175.10 174.51 2kl3 s SER 88 N -0.26 0.97 -0.39 3.32 0.15 -0.01 -4.76 113.70 112.71 2kl3 s SER 88 Ca 0.02 -0.48 -0.26 0.00 0.70 0.00 0.00 55.95 55.93 2kl3 s SER 88 Cb -0.03 -0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2kl3 s SER 88 CO -0.00 -0.13 0.92 -1.61 1.20 0.00 0.00 173.24 173.62 2kl3 s GLU 89 N -1.33 3.78 -0.56 5.44 2.02 -1.01 -1.85 118.70 125.20 2kl3 s GLU 89 Ca -0.06 0.49 -0.27 0.00 0.02 0.00 0.00 54.97 55.14 2kl3 s GLU 89 Cb -0.09 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2kl3 s GLU 89 CO 0.01 -1.00 1.58 -1.17 0.02 0.00 0.00 175.26 174.69 2kl3 s LEU 90 N 3.52 3.37 0.27 1.80 2.96 -0.25 -0.60 118.68 129.76 2kl3 s LEU 90 Ca 0.38 0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 54.37 2kl3 s LEU 90 Cb -0.12 -2.94 -0.11 0.00 0.50 0.00 0.00 46.19 43.53 2kl3 s LEU 90 CO 0.20 -1.90 1.48 -0.54 -1.32 0.00 0.00 176.35 174.27 2kl3 s LYS 91 N 5.96 4.22 0.00 1.98 1.02 0.34 -3.04 119.74 130.21 2kl3 s LYS 91 Ca 0.59 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.98 2kl3 s LYS 91 Cb -0.13 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2kl3 s LYS 91 CO 0.24 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 2kl3 n GLY 92 N 2.00 3.01 7.00 -3.33 0.00 -1.26 -3.21 105.19 109.40 2kl3 n GLY 92 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kl3 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kl3 n GLY 93 N -1.00 -0.45 0.28 -0.02 0.00 -1.17 -3.18 105.19 99.65 2kl3 n GLY 93 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 0.96 -0.78 0.99 5.85 -1.90 -2.81 115.31 117.61 2kl3 h LEU 94 Ca 0.00 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.50 2kl3 h LEU 94 Cb 0.00 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 2kl3 h LEU 94 CO 0.00 1.03 0.45 0.00 -0.34 0.00 0.00 178.44 179.57 2kl3 h ALA 95 N 0.97 1.09 -0.28 1.25 0.00 -1.95 -0.60 119.26 119.73 2kl3 h ALA 95 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kl3 h ALA 95 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kl3 h ALA 95 CO 0.03 0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.50 2kl3 h ALA 96 N 1.42 0.37 -0.95 0.00 0.00 -1.48 0.29 119.26 118.89 2kl3 h ALA 96 Ca 0.36 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2kl3 h ALA 96 Cb 0.28 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2kl3 h ALA 96 CO -0.22 -0.05 0.61 2.35 0.00 0.00 0.00 179.25 181.93 2kl3 h TRP 97 N 0.31 1.03 -0.05 0.00 2.91 -1.16 -1.83 115.95 117.16 2kl3 h TRP 97 Ca 0.10 0.03 -0.23 0.00 1.13 0.00 0.00 58.89 59.91 2kl3 h TRP 97 Cb 0.15 -0.33 0.01 0.00 -0.51 0.00 0.00 29.16 28.48 2kl3 h TRP 97 CO -0.01 0.42 -0.90 0.87 -1.03 0.00 0.00 178.44 177.78 2kl3 h LYS 98 N 0.91 0.63 -0.25 2.65 1.57 -0.71 0.14 116.57 121.50 2kl3 h LYS 98 Ca 0.47 -0.60 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2kl3 h LYS 98 Cb 0.52 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2kl3 h LYS 98 CO -0.23 1.21 0.18 0.00 -0.57 0.00 0.00 179.45 180.04 2kl3 h ALA 99 N 0.59 2.08 -0.46 3.86 0.00 0.38 0.11 119.26 125.82 2kl3 h ALA 99 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kl3 h ALA 99 Cb 1.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kl3 h ALA 99 CO 0.17 -0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.73 2kl3 n ILE 100 N -4.49 0.87 -2.60 0.00 -5.35 -0.93 -4.92 119.36 101.94 2kl3 n ILE 100 Ca 0.02 -0.70 -0.12 0.00 -0.27 0.00 0.00 62.75 61.68 2kl3 n ILE 100 Cb 0.24 0.19 0.02 0.00 -1.74 0.00 0.00 39.64 38.34 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 1.10 -0.01 3.78 3.28 0.00 0.37 -5.01 105.19 108.70 2kl3 n GLY 101 Ca 0.16 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.77 2.61 0.12 -0.02 0.00 0.49 -5.00 107.32 102.75 2kl3 s GLY 102 Ca 0.14 0.75 -0.31 0.00 0.00 0.00 0.00 44.72 45.29 2kl3 s GLY 102 CO 0.17 1.10 1.48 -4.14 0.00 0.00 0.00 173.10 171.72 2kl3 s PRO 103 N -3.15 4.27 0.09 2.90 0.02 -1.26 -4.72 135.00 133.14 2kl3 s PRO 103 Ca 0.69 2.20 0.06 0.00 0.02 0.00 0.00 61.00 63.97 2kl3 s PRO 103 Cb -0.21 -3.26 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 2kl3 s PRO 103 CO 0.25 -0.53 -0.15 0.95 -0.33 0.00 0.00 177.00 177.18 2kl3 s THR 104 N 1.30 1.25 0.23 0.99 -4.23 -1.26 -1.40 115.64 112.53 2kl3 s THR 104 Ca 0.67 -1.42 0.09 0.00 -1.18 0.00 0.00 61.69 59.86 2kl3 s THR 104 Cb -0.39 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 2kl3 s THR 104 CO 0.31 -0.23 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.38 2kl3 s GLU 105 N -1.93 1.45 0.00 3.99 2.02 0.29 -4.69 118.70 119.83 2kl3 s GLU 105 Ca 0.01 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.35 2kl3 s GLU 105 Cb -0.09 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.80 2kl3 s GLU 105 CO 0.03 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.95 2kl3 n GLY 106 N -0.46 -1.37 0.13 -1.39 0.00 -1.26 -0.14 105.19 100.70 2kl3 n GLY 106 Ca -0.07 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 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 0.25 1.53 0.24 -0.61 5.41 0.14 -4.31 119.36 122.01 2kl3 n ILE 107 Ca 0.00 -0.29 0.12 0.00 1.00 0.00 0.00 62.75 63.58 2kl3 n ILE 107 Cb 0.00 -1.92 0.57 0.00 -0.71 0.00 0.00 39.64 37.58 2kl3 n ILE 107 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2kl3 h ILE 108 N -0.99 0.44 -0.08 1.39 5.03 -1.18 -3.38 117.51 118.74 2kl3 h ILE 108 Ca -0.61 -0.87 -0.00 0.00 -0.12 0.00 0.00 64.86 63.27 2kl3 h ILE 108 Cb 1.54 1.62 -0.00 0.00 -3.03 0.00 0.00 36.82 36.94 2kl3 h ILE 108 CO -0.36 0.15 0.05 -0.62 -0.68 0.00 0.00 178.15 176.69 2kl3 n GLU 109 N -3.37 0.09 0.00 2.37 -0.58 -1.03 -1.58 120.64 116.54 2kl3 n GLU 109 Ca -0.00 -1.61 0.00 0.00 -0.42 0.00 0.00 57.16 55.13 2kl3 n GLU 109 Cb 0.36 -3.81 0.00 0.00 -0.57 0.00 0.00 31.44 27.42 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 19.35 0.00 0.00 1.62 2.88 -1.26 -4.81 113.62 131.40 2kl3 n SER 110 Ca 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2kl3 n SER 110 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2kl3 n SER 110 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kl3 n ARG 111 N 0.00 -0.07 -1.32 -1.46 3.00 -0.61 -5.13 116.66 111.07 2kl3 n ARG 111 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 57.85 57.42 2kl3 n ARG 111 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.55 2kl3 n ARG 111 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2kl3 n THR 112 N -0.11 -2.85 0.20 0.55 -2.24 -0.87 -4.84 114.28 104.12 2kl3 n THR 112 Ca 0.00 1.37 -0.10 0.00 -2.27 0.00 0.00 64.05 63.05 2kl3 n THR 112 Cb 0.01 -2.17 -0.05 0.00 -2.10 0.00 0.00 70.33 66.02 2kl3 n THR 112 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2kl3 h PRO 113 N 0.38 -0.58 0.00 -0.78 0.11 -1.96 -3.49 132.00 125.68 2kl3 h PRO 113 Ca 0.00 0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.27 2kl3 h PRO 113 Cb 0.66 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2kl3 h PRO 113 CO 0.00 -0.38 0.30 0.00 -0.21 0.00 0.00 178.00 177.70 2kl3 n ALA 114 N -2.49 -1.18 -2.01 -0.75 0.00 -1.26 -5.18 120.51 107.64 2kl3 n ALA 114 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2kl3 n ALA 114 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.30 1.93 3.09 0.00 0.00 -1.26 -5.15 105.19 103.50 2kl3 n GLY 115 Ca 0.02 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.41 -0.35 -0.28 4.61 0.00 -1.26 -5.16 121.76 116.92 2kl3 s ALA 116 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 2kl3 s ALA 116 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.21 2kl3 s ALA 116 CO 0.00 -0.17 0.71 0.16 0.00 0.00 0.00 175.76 176.46 2kl3 s ASP 117 N -0.96 -0.94 0.35 0.00 -4.77 -1.26 -5.18 116.67 103.91 2kl3 s ASP 117 Ca -0.10 1.47 0.03 0.00 -3.30 0.00 0.00 52.55 50.65 2kl3 s ASP 117 Cb -0.06 1.47 -0.01 0.00 -1.09 0.00 0.00 42.92 43.23 2kl3 s ASP 117 CO 0.01 -0.23 0.41 1.51 0.70 0.00 0.00 175.17 177.57 2kl3 s ASP 118 N 1.75 1.39 -0.09 2.11 -4.77 -1.26 -5.18 116.67 110.61 2kl3 s ASP 118 Ca -0.09 -1.66 -0.11 0.00 -3.30 0.00 0.00 52.55 47.39 2kl3 s ASP 118 Cb -0.06 0.64 0.03 0.00 -1.09 0.00 0.00 42.92 42.44 2kl3 s ASP 118 CO -0.20 -1.23 0.30 -0.72 0.70 0.00 0.00 175.17 174.02 2kl3 s TYR 119 N -3.09 -0.28 -0.31 2.11 1.13 -1.26 -5.11 117.35 110.54 2kl3 s TYR 119 Ca 0.35 0.66 -0.28 0.00 -1.41 0.00 0.00 57.07 56.39 2kl3 s TYR 119 Cb 0.00 0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.93 2kl3 s TYR 119 CO 0.25 -0.21 2.01 0.54 -2.51 0.00 0.00 175.55 175.63 2kl3 s ASN 120 N -0.22 5.59 -1.06 -0.18 6.03 -1.26 -4.90 114.94 118.96 2kl3 s ASN 120 Ca -0.03 1.48 -0.23 0.00 -1.03 0.00 0.00 52.86 53.04 2kl3 s ASN 120 Cb -0.03 -2.52 -0.03 0.00 -3.03 0.00 0.00 41.25 35.64 2kl3 s ASN 120 CO 0.01 -1.92 1.84 -0.69 -2.03 0.00 0.00 177.10 174.31 2kl3 s VAL 121 N 7.90 3.64 -0.08 3.54 1.01 -1.26 -4.90 120.40 130.24 2kl3 s VAL 121 Ca 0.89 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2kl3 s VAL 121 Cb -0.26 -4.50 0.03 0.00 0.00 0.00 0.00 36.38 31.65 2kl3 s VAL 121 CO 0.33 -1.25 -0.02 0.68 0.00 0.00 0.00 175.10 174.83 2kl3 s VAL 122 N 8.84 0.58 0.00 2.92 -7.23 -1.26 -5.06 120.40 119.18 2kl3 s VAL 122 Ca 0.64 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2kl3 s VAL 122 Cb -0.02 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.23 2kl3 s VAL 122 CO 0.03 0.29 0.00 -0.24 -0.31 0.00 0.00 175.10 174.87 2kl3 n SER 123 N 5.01 0.00 -3.93 4.85 2.88 -1.26 -5.18 113.62 115.98 2kl3 n SER 123 Ca -0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 2kl3 n SER 123 Cb 0.50 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.24 -0.33 -1.46 3.52 -1.26 -5.12 118.95 114.55 2kl3 s ARG 124 Ca 0.00 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 2kl3 s ARG 124 Cb 0.00 -0.17 0.16 0.00 -1.56 0.00 0.00 34.95 33.39 2kl3 s ARG 124 CO 0.00 0.04 0.44 -1.17 -0.81 0.00 0.00 175.30 173.80 2kl3 s LEU 125 N -0.37 -0.71 -0.12 -0.88 2.96 -1.26 -5.14 118.68 113.16 2kl3 s LEU 125 Ca -0.02 -0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 53.05 2kl3 s LEU 125 Cb -0.03 1.10 0.05 0.00 0.50 0.00 0.00 46.19 47.81 2kl3 s LEU 125 CO -0.00 -0.30 0.28 -0.70 -1.32 0.00 0.00 176.35 174.31 2kl3 s GLU 126 N 2.12 0.24 0.00 1.98 2.56 -1.26 -5.02 118.70 119.32 2kl3 s GLU 126 Ca 0.13 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.66 2kl3 s GLU 126 Cb -0.12 -0.09 0.00 0.00 2.00 0.00 0.00 34.13 35.92 2kl3 s GLU 126 CO -0.19 -0.16 0.56 0.72 -0.56 0.00 0.00 175.26 175.64 2kl3 n HIS 127 N 4.18 0.00 -2.47 5.30 8.25 -1.26 -5.07 115.22 124.15 2kl3 n HIS 127 Ca -0.24 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.79 2kl3 n HIS 127 Cb 0.54 0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 2kl3 n HIS 127 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl3 s HIS 128 N 0.00 2.58 -0.30 4.41 3.76 -1.26 -4.95 115.29 119.53 2kl3 s HIS 128 Ca 0.00 0.67 -0.03 0.00 -0.15 0.00 0.00 55.06 55.55 2kl3 s HIS 128 Cb 0.00 -4.38 0.18 0.00 1.11 0.00 0.00 32.58 29.49 2kl3 s HIS 128 CO 0.00 -1.66 0.66 -1.58 -0.85 0.00 0.00 174.74 171.30 2kl3 s HIS 129 N 5.03 -1.46 -0.29 1.40 2.46 -1.26 -5.16 115.29 116.01 2kl3 s HIS 129 Ca 0.54 1.64 -0.22 0.00 0.47 0.00 0.00 55.06 57.50 2kl3 s HIS 129 Cb -0.10 0.55 0.13 0.00 -0.13 0.00 0.00 32.58 33.03 2kl3 s HIS 129 CO 0.32 -0.79 1.02 -3.38 -2.47 0.00 0.00 174.74 169.44 2kl3 s HIS 130 N 2.87 -0.50 -0.31 3.88 -3.43 -1.26 -5.14 115.29 111.38 2kl3 s HIS 130 Ca 0.16 1.13 0.02 0.00 -0.80 0.00 0.00 55.06 55.58 2kl3 s HIS 130 Cb -0.14 0.37 0.16 0.00 -1.43 0.00 0.00 32.58 31.53 2kl3 s HIS 130 CO -0.20 -0.25 0.40 -1.01 -2.00 0.00 0.00 174.74 171.69 2kl3 s HIS 131 N 0.65 -0.83 0.00 0.38 3.76 -1.26 -5.34 115.29 112.65 2kl3 s HIS 131 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2kl3 s HIS 131 Cb -0.04 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.42 2kl3 s HIS 131 CO -0.10 -0.99 0.00 -2.39 -0.85 0.00 0.00 174.74 170.41