#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 3.68 0.58 3.17 8.01 -1.26 -4.91 118.70 127.97 2kl3 s GLU 2 Ca 0.00 0.13 0.30 0.00 0.01 0.00 0.00 54.97 55.41 2kl3 s GLU 2 Cb 0.00 -2.58 1.41 0.00 -4.31 0.00 0.00 34.13 28.65 2kl3 s GLU 2 CO 0.00 0.16 1.79 -1.35 0.01 0.00 0.00 175.26 175.87 2kl3 h PRO 3 N 1.62 0.00 -4.16 0.39 0.11 -1.98 -3.38 132.00 124.61 2kl3 h PRO 3 Ca -0.47 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 2kl3 h PRO 3 Cb 1.19 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.92 2kl3 h PRO 3 CO 0.66 0.00 -0.79 -0.65 -0.21 0.00 0.00 178.00 177.00 2kl3 s GLN 4 N -4.68 1.43 -0.08 1.05 -0.21 -1.26 -0.22 119.66 115.69 2kl3 s GLN 4 Ca -0.04 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 54.86 2kl3 s GLN 4 Cb 0.17 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 32.16 2kl3 s GLN 4 CO 0.60 -0.43 -0.20 0.45 -2.12 0.00 0.00 175.29 173.59 2kl3 s SER 5 N 1.63 3.46 0.71 5.90 0.15 -0.36 -4.92 113.70 120.26 2kl3 s SER 5 Ca 0.01 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.12 2kl3 s SER 5 Cb -0.15 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.08 2kl3 s SER 5 CO -0.08 0.23 1.08 -0.62 1.20 0.00 0.00 173.24 175.06 2kl3 s ASP 6 N -0.07 5.00 0.13 5.45 -1.08 -1.26 -0.48 116.67 124.36 2kl3 s ASP 6 Ca -0.05 1.80 -0.21 0.00 -0.52 0.00 0.00 52.55 53.57 2kl3 s ASP 6 Cb -0.14 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.78 2kl3 s ASP 6 CO 0.04 -1.70 1.68 0.00 0.52 0.00 0.00 175.17 175.71 2kl3 h ALA 7 N -0.61 0.01 0.00 3.66 0.00 -1.89 -2.68 119.26 117.75 2kl3 h ALA 7 Ca -0.45 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2kl3 h ALA 7 Cb 1.23 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2kl3 h ALA 7 CO 0.54 -0.55 -0.38 1.12 0.00 0.00 0.00 179.25 179.98 2kl3 h HIS 8 N -0.12 0.00 -0.10 0.00 2.07 -1.93 -0.60 115.15 114.47 2kl3 h HIS 8 Ca 0.10 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.64 2kl3 h HIS 8 Cb 0.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.22 2kl3 h HIS 8 CO -0.25 0.38 -0.04 0.28 -3.07 0.00 0.00 177.93 175.22 2kl3 h VAL 9 N 0.00 0.86 -0.41 6.12 2.07 -1.87 0.17 116.25 123.19 2kl3 h VAL 9 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2kl3 h VAL 9 Cb 0.97 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2kl3 h VAL 9 CO 0.05 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.81 2kl3 h LEU 10 N -0.03 0.78 -0.60 2.57 5.85 -1.30 -1.01 115.31 121.57 2kl3 h LEU 10 Ca 0.06 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.47 2kl3 h LEU 10 Cb 0.11 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2kl3 h LEU 10 CO -0.12 0.95 0.33 0.50 -0.34 0.00 0.00 178.44 179.76 2kl3 h LYS 11 N 0.59 0.61 -0.18 1.25 3.64 -0.92 0.37 116.57 121.94 2kl3 h LYS 11 Ca 0.10 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.23 2kl3 h LYS 11 Cb 0.60 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2kl3 h LYS 11 CO 0.04 0.40 -0.74 0.77 -2.27 0.00 0.00 179.45 177.65 2kl3 h SER 12 N 0.63 0.93 0.20 4.20 0.02 -0.64 -1.50 113.55 117.40 2kl3 h SER 12 Ca 0.26 -0.59 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2kl3 h SER 12 Cb 0.14 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2kl3 h SER 12 CO -0.16 1.39 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.71 2kl3 h ARG 13 N 0.56 0.00 0.04 3.45 2.43 -0.85 0.51 114.38 120.52 2kl3 h ARG 13 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kl3 h ARG 13 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2kl3 h ARG 13 CO 0.15 0.12 -0.02 1.25 -1.51 0.00 0.00 179.97 179.97 2kl3 h LEU 14 N 0.00 -0.05 0.00 3.80 5.85 0.07 -3.05 115.31 121.93 2kl3 h LEU 14 Ca -0.00 -0.64 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 2kl3 h LEU 14 Cb 0.26 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2kl3 h LEU 14 CO 0.02 0.70 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.18 2kl3 h GLU 15 N -0.89 0.00 0.12 1.25 5.08 -1.23 -3.41 114.58 115.50 2kl3 h GLU 15 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 2kl3 h GLU 15 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2kl3 h GLU 15 CO 0.01 0.86 -1.83 -1.49 -1.00 0.00 0.00 179.01 175.55 2kl3 h TRP 16 N -1.00 0.46 -2.68 4.33 4.06 -0.33 -3.48 115.95 117.31 2kl3 h TRP 16 Ca -0.08 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2kl3 h TRP 16 Cb 0.95 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 2kl3 h TRP 16 CO 0.19 1.59 0.00 0.41 -3.56 0.00 0.00 178.44 177.07 2kl3 n GLY 17 N 1.85 1.06 3.79 1.49 0.00 0.18 -4.97 105.19 108.60 2kl3 n GLY 17 Ca -0.26 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 0.77 4.12 0.00 1.61 8.01 -1.18 -4.67 118.70 127.36 2kl3 s GLU 18 Ca 0.00 0.48 0.00 0.00 0.01 0.00 0.00 54.97 55.46 2kl3 s GLU 18 Cb 0.00 -3.30 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 2kl3 s GLU 18 CO 0.00 0.49 0.06 -2.30 0.01 0.00 0.00 175.26 173.52 2kl3 n PRO 19 N 2.47 0.00 -1.53 0.39 -0.02 -1.26 -4.74 135.00 130.31 2kl3 n PRO 19 Ca -0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.28 2kl3 n PRO 19 Cb 0.52 -0.46 -0.03 0.00 -0.02 0.00 0.00 33.50 33.51 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 -2.64 -0.29 -2.29 3.55 0.00 -1.26 -4.92 120.51 112.65 2kl3 n ALA 20 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 2kl3 n ALA 20 Cb 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.93 1.25 -0.16 0.00 -0.12 -1.26 -4.26 117.98 111.50 2kl3 s PHE 21 Ca 0.00 -0.73 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 2kl3 s PHE 21 Cb 0.00 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.77 2kl3 s PHE 21 CO 0.00 0.07 -0.16 0.99 -0.05 0.00 0.00 175.22 176.08 2kl3 s THR 22 N -3.15 1.72 -0.22 -4.49 2.01 0.43 -5.00 115.64 106.95 2kl3 s THR 22 Ca 0.15 -0.74 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 2kl3 s THR 22 Cb 0.01 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2kl3 s THR 22 CO 0.01 0.48 0.48 -0.63 -0.69 0.00 0.00 174.62 174.27 2kl3 s ILE 23 N 1.42 5.12 -0.16 1.82 1.01 -1.26 -0.85 121.20 128.30 2kl3 s ILE 23 Ca 0.05 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.51 2kl3 s ILE 23 Cb -0.13 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2kl3 s ILE 23 CO -0.11 0.17 -0.00 -0.76 0.00 0.00 0.00 174.94 174.24 2kl3 s LEU 24 N 1.75 3.46 -0.56 2.97 1.43 -0.23 -1.49 118.68 126.00 2kl3 s LEU 24 Ca 0.22 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 2kl3 s LEU 24 Cb -0.15 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2kl3 s LEU 24 CO 0.09 0.18 0.86 -0.62 0.23 0.00 0.00 176.35 177.09 2kl3 s ASP 25 N 0.33 6.27 0.00 2.29 -1.08 -0.58 -2.55 116.67 121.35 2kl3 s ASP 25 Ca -0.01 -0.66 0.21 0.00 -0.52 0.00 0.00 52.55 51.57 2kl3 s ASP 25 Cb -0.13 -2.39 0.38 0.00 -1.46 0.00 0.00 42.92 39.32 2kl3 s ASP 25 CO 0.02 -1.18 1.34 1.33 0.52 0.00 0.00 175.17 177.20 2kl3 n VAL 26 N 5.97 0.51 0.03 1.11 0.24 -1.06 -2.65 118.33 122.48 2kl3 n VAL 26 Ca -0.02 -0.76 -0.01 0.00 -2.04 0.00 0.00 64.34 61.51 2kl3 n VAL 26 Cb 0.46 0.96 -0.01 0.00 -1.47 0.00 0.00 33.84 33.79 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 4.04 -0.07 -1.63 7.34 3.08 -1.85 -2.46 114.38 122.83 2kl3 h ARG 27 Ca 0.00 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2kl3 h ARG 27 Cb 0.92 0.02 -0.21 0.00 0.08 0.00 0.00 29.97 30.78 2kl3 h ARG 27 CO 0.00 -0.05 0.65 0.34 -1.07 0.00 0.00 179.97 179.84 2kl3 s ASP 28 N -2.39 -0.27 0.15 7.04 -1.08 -1.26 -4.64 116.67 114.22 2kl3 s ASP 28 Ca -0.01 0.17 -0.17 0.00 -0.52 0.00 0.00 52.55 52.02 2kl3 s ASP 28 Cb 0.00 0.25 0.03 0.00 -1.46 0.00 0.00 42.92 41.74 2kl3 s ASP 28 CO 0.03 -0.33 1.77 -0.09 0.52 0.00 0.00 175.17 177.07 2kl3 h ARG 29 N 2.24 0.34 -0.13 4.34 9.65 -1.94 0.27 114.38 129.15 2kl3 h ARG 29 Ca -0.16 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.68 2kl3 h ARG 29 Cb 1.18 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2kl3 h ARG 29 CO 0.28 0.22 -0.02 0.66 2.80 0.00 0.00 179.97 183.91 2kl3 h SER 30 N 0.35 0.25 -0.21 -3.80 4.64 -2.00 -2.87 113.55 109.90 2kl3 h SER 30 Ca 0.15 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2kl3 h SER 30 Cb 0.06 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2kl3 h SER 30 CO -0.10 0.54 0.14 0.74 -0.87 0.00 0.00 176.83 177.27 2kl3 h THR 31 N -0.06 1.06 -0.11 2.95 2.02 -1.90 0.19 112.91 117.07 2kl3 h THR 31 Ca 0.03 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2kl3 h THR 31 Cb 0.43 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2kl3 h THR 31 CO 0.01 0.07 -0.06 0.22 0.37 0.00 0.00 175.52 176.13 2kl3 h TYR 32 N 0.30 -0.13 -0.59 3.16 3.20 -0.30 -0.56 116.97 122.05 2kl3 h TYR 32 Ca 0.08 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2kl3 h TYR 32 Cb -0.02 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2kl3 h TYR 32 CO 0.00 -0.09 0.17 -0.91 -1.64 0.00 0.00 178.16 175.69 2kl3 h ASN 33 N -0.05 0.87 -0.40 -2.11 2.35 -1.05 -3.19 115.58 111.99 2kl3 h ASN 33 Ca 0.06 -0.21 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 2kl3 h ASN 33 Cb 0.14 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 2kl3 h ASN 33 CO -0.14 0.85 -0.00 -0.78 -1.65 0.00 0.00 177.43 175.71 2kl3 h ASP 34 N 0.84 -0.17 0.00 5.81 1.82 -0.28 0.25 116.42 124.68 2kl3 h ASP 34 Ca 0.19 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2kl3 h ASP 34 Cb 0.30 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.48 2kl3 h ASP 34 CO -0.00 -0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.19 2kl3 n GLY 35 N -1.27 0.32 3.44 -0.78 0.00 -0.25 -0.31 105.19 106.34 2kl3 n GLY 35 Ca 0.03 0.69 -0.21 0.00 0.00 0.00 0.00 46.02 46.52 2kl3 n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kl3 s HIS 36 N 0.00 1.91 0.40 1.61 -3.43 0.11 -4.72 115.29 111.18 2kl3 s HIS 36 Ca 0.00 -1.00 -0.26 0.00 -0.80 0.00 0.00 55.06 53.00 2kl3 s HIS 36 Cb 0.00 -1.24 -0.09 0.00 -1.43 0.00 0.00 32.58 29.82 2kl3 s HIS 36 CO 0.00 -0.05 1.29 0.42 -2.00 0.00 0.00 174.74 174.41 2kl3 s ILE 37 N -3.33 2.67 -0.21 -5.38 1.01 -1.26 -0.16 121.20 114.53 2kl3 s ILE 37 Ca 0.36 0.60 -0.28 0.00 0.00 0.00 0.00 60.65 61.32 2kl3 s ILE 37 Cb 0.08 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 2kl3 s ILE 37 CO 0.15 0.09 2.07 -0.32 0.00 0.00 0.00 174.94 176.93 2kl3 s MET 38 N -2.22 3.34 0.00 2.79 -2.45 -0.83 -1.33 119.30 118.60 2kl3 s MET 38 Ca 0.56 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.97 2kl3 s MET 38 Cb -0.37 -4.29 0.00 0.00 1.25 0.00 0.00 34.83 31.41 2kl3 s MET 38 CO 0.48 -1.86 0.00 0.41 1.05 0.00 0.00 175.02 175.10 2kl3 n GLY 39 N 5.46 2.26 3.76 2.11 0.00 -1.26 -4.97 105.19 112.55 2kl3 n GLY 39 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.52 2.93 0.13 4.61 0.00 -0.44 -4.80 121.76 121.66 2kl3 s ALA 40 Ca 0.00 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.27 2kl3 s ALA 40 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2kl3 s ALA 40 CO 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 175.76 174.60 2kl3 s MET 41 N -2.77 2.44 -0.47 0.00 0.23 -0.56 -4.94 119.30 113.24 2kl3 s MET 41 Ca 0.68 -0.98 -0.29 0.00 -1.03 0.00 0.00 55.69 54.07 2kl3 s MET 41 Cb -0.38 -2.44 0.03 0.00 -1.53 0.00 0.00 34.83 30.51 2kl3 s MET 41 CO 0.46 0.50 1.21 0.00 -2.03 0.00 0.00 175.02 175.15 2kl3 s ALA 42 N -1.49 3.11 -0.38 3.16 0.00 -1.26 -1.53 121.76 123.37 2kl3 s ALA 42 Ca 0.26 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2kl3 s ALA 42 Cb -0.11 -3.92 0.16 0.00 0.00 0.00 0.00 23.12 19.25 2kl3 s ALA 42 CO 0.18 -2.33 0.32 -1.64 0.00 0.00 0.00 175.76 172.29 2kl3 s MET 43 N 4.62 0.71 0.27 0.00 -1.94 -1.08 -4.93 119.30 116.95 2kl3 s MET 43 Ca 0.51 -1.44 -0.30 0.00 -1.71 0.00 0.00 55.69 52.75 2kl3 s MET 43 Cb -0.09 -1.11 -0.10 0.00 2.01 0.00 0.00 34.83 35.54 2kl3 s MET 43 CO 0.32 -1.27 1.45 -2.14 -0.01 0.00 0.00 175.02 173.37 2kl3 s PRO 44 N 0.83 4.25 0.48 2.03 0.02 -1.21 -3.65 135.00 137.75 2kl3 s PRO 44 Ca 0.23 2.35 0.33 0.00 0.02 0.00 0.00 61.00 63.93 2kl3 s PRO 44 Cb -0.11 -3.08 1.45 0.00 0.02 0.00 0.00 34.50 32.77 2kl3 s PRO 44 CO -0.07 -0.43 1.69 0.97 -0.33 0.00 0.00 177.00 178.83 2kl3 h ILE 45 N 3.43 0.26 -0.04 2.83 2.10 -1.68 0.88 117.51 125.29 2kl3 h ILE 45 Ca -0.47 -0.04 -0.23 0.00 1.08 0.00 0.00 64.86 65.21 2kl3 h ILE 45 Cb 1.22 0.14 0.01 0.00 -1.09 0.00 0.00 36.82 37.10 2kl3 h ILE 45 CO 0.76 0.02 -0.90 1.05 -1.08 0.00 0.00 178.15 178.00 2kl3 h GLU 46 N 0.11 0.53 -0.00 2.19 4.11 -1.88 -3.24 114.58 116.40 2kl3 h GLU 46 Ca 0.73 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2kl3 h GLU 46 Cb 2.49 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.87 2kl3 h GLU 46 CO -0.21 1.15 -0.55 -3.47 0.07 0.00 0.00 179.01 176.01 2kl3 n ASP 47 N -3.81 0.63 -0.20 3.06 2.03 0.26 -4.56 116.55 113.96 2kl3 n ASP 47 Ca -0.07 -0.42 -0.11 0.00 0.52 0.00 0.00 54.79 54.71 2kl3 n ASP 47 Cb 0.81 0.34 -0.07 0.00 -0.72 0.00 0.00 41.12 41.49 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 0.14 -1.69 0.03 -2.67 5.85 -0.29 0.45 115.31 117.13 2kl3 h LEU 48 Ca 0.00 0.25 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2kl3 h LEU 48 Cb 0.50 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 2kl3 h LEU 48 CO 0.00 -0.35 -0.20 0.58 -0.34 0.00 0.00 178.44 178.13 2kl3 h VAL 49 N -0.28 0.53 -0.12 1.05 2.07 -1.80 0.10 116.25 117.81 2kl3 h VAL 49 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2kl3 h VAL 49 Cb 0.56 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2kl3 h VAL 49 CO -0.67 0.00 0.06 0.44 0.02 0.00 0.00 177.57 177.42 2kl3 h ASP 50 N -0.34 0.10 -0.06 0.57 5.19 -1.80 0.11 116.42 120.19 2kl3 h ASP 50 Ca 0.05 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.50 2kl3 h ASP 50 Cb 0.40 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 2kl3 h ASP 50 CO -0.16 0.08 -0.25 0.03 -3.12 0.00 0.00 179.24 175.81 2kl3 h ARG 51 N 0.14 -0.35 -0.13 3.56 2.47 -0.62 -0.82 114.38 118.64 2kl3 h ARG 51 Ca 0.05 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2kl3 h ARG 51 Cb -0.00 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2kl3 h ARG 51 CO -0.03 -0.23 0.04 0.00 0.56 0.00 0.00 179.97 180.31 2kl3 h ALA 52 N 0.51 0.17 -0.62 0.04 0.00 -0.69 -2.66 119.26 116.01 2kl3 h ALA 52 Ca 0.08 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2kl3 h ALA 52 Cb 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2kl3 h ALA 52 CO -0.26 -0.21 0.42 1.03 0.00 0.00 0.00 179.25 180.23 2kl3 h SER 53 N 0.03 0.37 1.42 0.00 0.87 -0.66 0.73 113.55 116.31 2kl3 h SER 53 Ca 0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2kl3 h SER 53 Cb 0.22 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2kl3 h SER 53 CO -0.00 0.22 0.00 -1.28 -0.53 0.00 0.00 176.83 175.24 2kl3 h SER 54 N 0.41 0.00 0.00 6.23 0.87 -0.88 -3.42 113.55 116.76 2kl3 h SER 54 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2kl3 h SER 54 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2kl3 h SER 54 CO -0.08 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.02 2kl3 n SER 55 N -2.39 0.33 -4.81 6.23 7.64 -0.22 -5.09 113.62 115.31 2kl3 n SER 55 Ca 0.05 0.36 -0.34 0.00 1.01 0.00 0.00 58.87 59.94 2kl3 n SER 55 Cb 0.41 0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 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 -6.98 4.06 0.58 -3.43 1.43 0.24 -5.07 118.68 109.51 2kl3 s LEU 56 Ca 0.00 1.75 -0.02 0.00 -1.03 0.00 0.00 54.13 54.83 2kl3 s LEU 56 Cb 0.00 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.88 2kl3 s LEU 56 CO 0.00 -0.29 0.84 -1.83 0.23 0.00 0.00 176.35 175.29 2kl3 s GLU 57 N -2.83 2.58 0.41 1.70 1.03 -1.26 -4.48 118.70 115.86 2kl3 s GLU 57 Ca 0.59 -0.50 0.23 0.00 0.03 0.00 0.00 54.97 55.32 2kl3 s GLU 57 Cb -0.12 -2.39 0.68 0.00 -0.80 0.00 0.00 34.13 31.50 2kl3 s GLU 57 CO 0.17 -0.78 1.72 0.87 -1.33 0.00 0.00 175.26 175.91 2kl3 h LYS 58 N -0.09 0.00 -0.26 -4.83 1.79 -1.96 -2.98 116.57 108.25 2kl3 h LYS 58 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2kl3 h LYS 58 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2kl3 h LYS 58 CO 0.56 0.24 0.00 -1.13 -1.08 0.00 0.00 179.45 178.04 2kl3 n SER 59 N -3.28 2.60 -4.70 0.86 3.41 -1.26 0.19 113.62 111.44 2kl3 n SER 59 Ca 0.01 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 2kl3 n SER 59 Cb 0.50 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kl3 s ARG 60 N -1.68 4.29 -0.72 4.33 6.06 -1.13 -4.74 118.95 125.37 2kl3 s ARG 60 Ca 0.35 2.03 -0.26 0.00 -2.50 0.00 0.00 55.73 55.36 2kl3 s ARG 60 Cb 0.20 -3.48 -0.05 0.00 0.06 0.00 0.00 34.95 31.68 2kl3 s ARG 60 CO 0.29 -0.55 2.06 -0.51 -2.50 0.00 0.00 175.30 174.09 2kl3 s ASP 61 N 1.70 4.89 -0.24 -2.12 1.11 -1.26 -4.21 116.67 116.54 2kl3 s ASP 61 Ca 0.65 0.08 -0.10 0.00 0.18 0.00 0.00 52.55 53.36 2kl3 s ASP 61 Cb -0.34 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.07 2kl3 s ASP 61 CO 0.28 -2.80 0.14 -0.63 1.18 0.00 0.00 175.17 173.34 2kl3 s ILE 62 N 10.75 5.14 -0.27 0.77 1.01 0.66 -0.42 121.20 138.83 2kl3 s ILE 62 Ca 0.77 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 2kl3 s ILE 62 Cb -0.11 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2kl3 s ILE 62 CO 0.13 0.35 0.07 -0.31 0.00 0.00 0.00 174.94 175.18 2kl3 s TYR 63 N 1.08 3.11 -0.12 3.97 1.51 -0.03 -0.68 117.35 126.18 2kl3 s TYR 63 Ca 0.07 -0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 55.31 2kl3 s TYR 63 Cb -0.14 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 2kl3 s TYR 63 CO 0.04 -0.50 0.04 0.08 -1.11 0.00 0.00 175.55 174.11 2kl3 s VAL 64 N 1.54 4.66 -0.03 0.71 1.01 -0.29 -1.07 120.40 126.94 2kl3 s VAL 64 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2kl3 s VAL 64 Cb -0.16 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2kl3 s VAL 64 CO 0.02 0.57 -0.00 -0.72 0.00 0.00 0.00 175.10 174.96 2kl3 s TYR 65 N -0.52 0.32 0.02 5.22 1.13 -1.06 -0.85 117.35 121.62 2kl3 s TYR 65 Ca 0.10 -0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.75 2kl3 s TYR 65 Cb -0.12 -0.39 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2kl3 s TYR 65 CO 0.02 -0.12 0.01 0.41 -2.51 0.00 0.00 175.55 173.36 2kl3 n GLY 66 N 4.00 3.58 0.19 5.49 0.00 -1.26 -2.57 105.19 114.61 2kl3 n GLY 66 Ca -0.25 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.48 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 0.87 0.50 -1.93 4.61 0.00 -1.91 -3.16 119.26 118.23 2kl3 h ALA 67 Ca -0.01 -0.13 -0.49 0.00 0.00 0.00 0.00 54.91 54.28 2kl3 h ALA 67 Cb 0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.55 2kl3 h ALA 67 CO 0.02 0.09 -0.56 0.20 0.00 0.00 0.00 179.25 179.00 2kl3 s GLY 68 N -2.90 2.26 0.43 0.00 0.00 -1.26 -4.54 107.32 101.31 2kl3 s GLY 68 Ca -0.13 -1.65 0.08 0.00 0.00 0.00 0.00 44.72 43.03 2kl3 s GLY 68 CO 0.75 -1.77 2.07 -0.55 0.00 0.00 0.00 173.10 173.60 2kl3 h ASP 69 N 2.02 0.40 0.32 1.64 5.19 -1.88 -1.69 116.42 122.40 2kl3 h ASP 69 Ca -0.37 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 2kl3 h ASP 69 Cb 1.26 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2kl3 h ASP 69 CO 0.61 0.29 -0.16 -0.08 -3.12 0.00 0.00 179.24 176.78 2kl3 h GLU 70 N 0.47 -0.43 -0.71 3.56 4.81 -1.98 0.23 114.58 120.52 2kl3 h GLU 70 Ca 0.13 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2kl3 h GLU 70 Cb -0.05 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2kl3 h GLU 70 CO -0.03 -0.28 0.31 0.37 -0.73 0.00 0.00 179.01 178.65 2kl3 h GLN 71 N -0.44 1.05 0.42 1.92 4.15 -1.91 -0.52 115.11 119.78 2kl3 h GLN 71 Ca -0.04 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 2kl3 h GLN 71 Cb 0.35 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2kl3 h GLN 71 CO 0.06 0.85 -0.21 1.15 -1.93 0.00 0.00 178.83 178.75 2kl3 h THR 72 N 1.01 0.56 -0.72 2.39 2.02 -1.17 -1.58 112.91 115.42 2kl3 h THR 72 Ca 0.24 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 2kl3 h THR 72 Cb 0.17 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2kl3 h THR 72 CO -0.02 0.00 0.24 -1.28 0.37 0.00 0.00 175.52 174.83 2kl3 h SER 73 N -0.58 1.04 -0.49 4.18 0.87 -0.44 -1.55 113.55 116.58 2kl3 h SER 73 Ca -0.06 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 2kl3 h SER 73 Cb 0.45 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2kl3 h SER 73 CO 0.09 0.96 0.12 -0.61 -0.53 0.00 0.00 176.83 176.86 2kl3 h GLN 74 N 1.06 0.78 -0.23 2.24 4.15 -1.07 -0.53 115.11 121.51 2kl3 h GLN 74 Ca 0.23 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2kl3 h GLN 74 Cb 0.28 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2kl3 h GLN 74 CO -0.01 0.76 0.15 0.00 -1.93 0.00 0.00 178.83 177.80 2kl3 h ALA 75 N 0.99 0.30 -0.68 3.38 0.00 -1.08 -1.09 119.26 121.08 2kl3 h ALA 75 Ca 0.15 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2kl3 h ALA 75 Cb 0.33 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2kl3 h ALA 75 CO 0.00 -0.24 0.25 0.28 0.00 0.00 0.00 179.25 179.55 2kl3 h VAL 76 N 0.31 0.70 -0.21 0.00 2.07 -1.08 -1.56 116.25 116.48 2kl3 h VAL 76 Ca 0.09 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2kl3 h VAL 76 Cb -0.03 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 2kl3 h VAL 76 CO -0.03 0.08 -0.09 -1.13 0.02 0.00 0.00 177.57 176.42 2kl3 h ASN 77 N 0.41 -0.30 -0.74 0.57 -1.24 -0.54 -1.87 115.58 111.87 2kl3 h ASN 77 Ca 0.36 0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.49 2kl3 h ASN 77 Cb 0.51 0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 2kl3 h ASN 77 CO -0.37 -0.12 0.48 -0.07 -1.29 0.00 0.00 177.43 176.07 2kl3 h LEU 78 N -0.06 0.75 0.17 0.34 3.38 -0.39 0.28 115.31 119.79 2kl3 h LEU 78 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kl3 h LEU 78 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kl3 h LEU 78 CO -0.25 0.51 -0.08 -0.07 0.09 0.00 0.00 178.44 178.63 2kl3 h LEU 79 N 0.86 -0.20 -1.93 1.67 3.38 -0.97 -2.35 115.31 115.77 2kl3 h LEU 79 Ca 0.30 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2kl3 h LEU 79 Cb 0.10 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kl3 h LEU 79 CO -0.09 0.28 -0.08 0.08 0.09 0.00 0.00 178.44 178.72 2kl3 h ARG 80 N -0.74 0.00 -0.48 1.13 0.11 -1.13 0.19 114.38 113.45 2kl3 h ARG 80 Ca -0.02 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 2kl3 h ARG 80 Cb 0.51 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 2kl3 h ARG 80 CO 0.04 0.08 0.07 1.03 0.10 0.00 0.00 179.97 181.29 2kl3 h SER 81 N 0.00 0.70 -0.02 0.08 0.87 -0.41 -2.55 113.55 112.22 2kl3 h SER 81 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2kl3 h SER 81 Cb 0.35 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2kl3 h SER 81 CO 0.01 0.73 0.00 0.00 -0.53 0.00 0.00 176.83 177.04 2kl3 n ALA 82 N -2.47 2.59 0.00 6.23 0.00 0.60 -4.88 120.51 122.59 2kl3 n ALA 82 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kl3 n ALA 82 Cb 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2kl3 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 83 N 0.82 2.97 3.68 0.00 0.00 -0.96 -5.05 105.19 106.65 2kl3 n GLY 83 Ca 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.22 2.34 -0.05 1.61 3.72 -0.87 -4.87 117.46 118.12 2kl3 n PHE 84 Ca 0.00 -0.02 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 2kl3 n PHE 84 Cb 0.00 -2.67 -0.05 0.00 -0.94 0.00 0.00 39.48 35.82 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 9.23 -0.02 -4.98 -1.08 5.08 -0.60 -3.33 114.58 118.87 2kl3 h GLU 85 Ca -0.48 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.16 2kl3 h GLU 85 Cb 1.27 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 2kl3 h GLU 85 CO 0.95 0.33 1.36 -1.01 -1.00 0.00 0.00 179.01 179.64 2kl3 s HIS 86 N -1.91 3.31 -0.09 4.33 3.76 -1.05 -4.94 115.29 118.70 2kl3 s HIS 86 Ca -0.07 -1.89 -0.01 0.00 -0.15 0.00 0.00 55.06 52.94 2kl3 s HIS 86 Cb -0.01 -4.37 0.03 0.00 1.11 0.00 0.00 32.58 29.33 2kl3 s HIS 86 CO 0.26 -1.48 -0.03 0.08 -0.85 0.00 0.00 174.74 172.71 2kl3 s VAL 87 N 2.22 0.67 0.02 -0.90 1.01 -1.26 -0.25 120.40 121.90 2kl3 s VAL 87 Ca 0.42 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.42 2kl3 s VAL 87 Cb -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2kl3 s VAL 87 CO -0.01 0.30 -0.26 -0.55 0.00 0.00 0.00 175.10 174.58 2kl3 s SER 88 N 1.85 3.09 -0.21 3.32 0.15 0.14 -4.56 113.70 117.48 2kl3 s SER 88 Ca 0.05 -0.54 -0.21 0.00 0.70 0.00 0.00 55.95 55.95 2kl3 s SER 88 Cb -0.12 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.86 2kl3 s SER 88 CO -0.07 0.28 0.66 -1.83 1.20 0.00 0.00 173.24 173.49 2kl3 s GLU 89 N -0.97 4.20 -0.98 5.44 -1.05 0.69 -1.14 118.70 124.90 2kl3 s GLU 89 Ca 0.11 0.66 -0.24 0.00 -0.15 0.00 0.00 54.97 55.35 2kl3 s GLU 89 Cb -0.10 -3.60 0.00 0.00 -0.44 0.00 0.00 34.13 30.00 2kl3 s GLU 89 CO 0.01 -0.30 1.70 -1.17 0.95 0.00 0.00 175.26 176.45 2kl3 s LEU 90 N 2.11 3.34 0.13 1.83 2.96 -0.03 -1.22 118.68 127.80 2kl3 s LEU 90 Ca 0.29 -1.12 -0.31 0.00 -0.22 0.00 0.00 54.13 52.78 2kl3 s LEU 90 Cb -0.16 -2.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.86 2kl3 s LEU 90 CO 0.10 -2.12 1.85 0.29 -1.32 0.00 0.00 176.35 175.15 2kl3 n LYS 91 N 8.85 2.84 0.00 1.98 5.02 0.37 -1.62 118.16 135.59 2kl3 n LYS 91 Ca 0.37 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.69 2kl3 n LYS 91 Cb 0.49 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 2kl3 n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kl3 n GLY 92 N 4.26 2.50 7.00 0.72 0.00 -1.26 -3.63 105.19 114.77 2kl3 n GLY 92 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.62 -1.70 0.24 -0.02 0.00 -0.64 -3.35 105.19 99.10 2kl3 n GLY 93 Ca 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 0.71 -1.61 0.99 5.85 -1.78 -2.29 115.31 117.18 2kl3 h LEU 94 Ca 0.00 -0.12 0.20 0.00 0.84 0.00 0.00 57.88 58.80 2kl3 h LEU 94 Cb 0.00 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 2kl3 h LEU 94 CO 0.00 0.63 0.58 0.00 -0.34 0.00 0.00 178.44 179.31 2kl3 h ALA 95 N 1.11 2.30 -0.01 1.25 0.00 -1.85 0.17 119.26 122.22 2kl3 h ALA 95 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2kl3 h ALA 95 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kl3 h ALA 95 CO -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 179.25 178.63 2kl3 h ALA 96 N 1.61 0.02 -0.87 0.00 0.00 -1.43 0.14 119.26 118.73 2kl3 h ALA 96 Ca 0.44 -0.31 0.18 0.00 0.00 0.00 0.00 54.91 55.22 2kl3 h ALA 96 Cb 1.20 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2kl3 h ALA 96 CO -0.14 -0.16 0.42 2.35 0.00 0.00 0.00 179.25 181.72 2kl3 h TRP 97 N -0.54 0.72 0.07 0.00 2.91 -0.81 0.07 115.95 118.37 2kl3 h TRP 97 Ca -0.00 0.04 -0.25 0.00 1.13 0.00 0.00 58.89 59.81 2kl3 h TRP 97 Cb 0.63 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 2kl3 h TRP 97 CO 0.13 0.07 -1.09 0.87 -1.03 0.00 0.00 178.44 177.40 2kl3 h LYS 98 N 0.52 0.30 0.00 2.65 1.57 -0.74 0.26 116.57 121.13 2kl3 h LYS 98 Ca 0.51 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2kl3 h LYS 98 Cb 0.85 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2kl3 h LYS 98 CO -0.44 1.14 -0.27 0.00 -0.57 0.00 0.00 179.45 179.31 2kl3 h ALA 99 N 0.70 1.42 -0.17 3.86 0.00 0.42 -1.49 119.26 124.00 2kl3 h ALA 99 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kl3 h ALA 99 Cb 1.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2kl3 h ALA 99 CO 0.18 0.34 0.00 0.44 0.00 0.00 0.00 179.25 180.21 2kl3 n ILE 100 N -4.03 0.22 -2.79 0.00 -5.35 -0.10 -4.94 119.36 102.37 2kl3 n ILE 100 Ca -0.02 -0.35 -0.08 0.00 -0.27 0.00 0.00 62.75 62.03 2kl3 n ILE 100 Cb 0.34 0.36 0.03 0.00 -1.74 0.00 0.00 39.64 38.63 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 0.26 3.86 3.28 0.00 -0.56 -5.04 105.19 108.11 2kl3 n GLY 101 Ca 0.16 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.30 2.15 0.03 -0.02 0.00 0.91 -5.01 107.32 102.08 2kl3 s GLY 102 Ca 0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 2kl3 s GLY 102 CO 0.29 0.20 1.75 -4.14 0.00 0.00 0.00 173.10 171.20 2kl3 s PRO 103 N -3.47 4.17 0.27 2.90 0.02 -1.26 -4.73 135.00 132.90 2kl3 s PRO 103 Ca 0.54 2.39 0.05 0.00 0.02 0.00 0.00 61.00 64.00 2kl3 s PRO 103 Cb -0.10 -3.86 -0.06 0.00 0.02 0.00 0.00 34.50 30.51 2kl3 s PRO 103 CO 0.24 -0.83 -0.03 0.95 -0.33 0.00 0.00 177.00 177.00 2kl3 s THR 104 N 3.53 1.42 0.29 0.99 -4.23 -1.26 -1.97 115.64 114.40 2kl3 s THR 104 Ca 0.78 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2kl3 s THR 104 Cb -0.39 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2kl3 s THR 104 CO 0.34 -0.27 0.17 -1.61 -0.54 0.00 0.00 174.62 172.71 2kl3 s GLU 105 N -3.78 1.56 0.00 3.99 2.02 0.77 -4.59 118.70 118.66 2kl3 s GLU 105 Ca 0.30 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.40 2kl3 s GLU 105 Cb 0.05 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.29 2kl3 s GLU 105 CO 0.11 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2kl3 n GLY 106 N -0.54 0.48 0.12 -1.39 0.00 -1.26 0.09 105.19 102.68 2kl3 n GLY 106 Ca 0.02 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 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 0.14 1.53 0.17 -0.61 5.41 0.88 -4.25 119.36 122.64 2kl3 n ILE 107 Ca 0.00 -0.14 0.03 0.00 1.00 0.00 0.00 62.75 63.64 2kl3 n ILE 107 Cb 0.00 -2.01 0.30 0.00 -0.71 0.00 0.00 39.64 37.22 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 -1.00 1.10 0.00 1.39 5.03 -0.83 -1.21 117.51 121.99 2kl3 h ILE 108 Ca -0.46 -1.65 0.00 0.00 -0.12 0.00 0.00 64.86 62.64 2kl3 h ILE 108 Cb 1.38 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 37.11 2kl3 h ILE 108 CO -0.28 0.43 0.10 -0.33 -0.68 0.00 0.00 178.15 177.40 2kl3 h GLU 109 N 0.00 0.00 0.00 2.37 4.39 -1.70 -3.03 114.58 116.61 2kl3 h GLU 109 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kl3 h GLU 109 Cb 0.91 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2kl3 h GLU 109 CO 0.06 0.00 -1.04 0.43 -1.16 0.00 0.00 179.01 177.30 2kl3 n SER 110 N -2.58 1.94 -4.70 1.42 7.64 -0.69 -4.98 113.62 111.67 2kl3 n SER 110 Ca -0.02 0.34 -0.38 0.00 1.01 0.00 0.00 58.87 59.82 2kl3 n SER 110 Cb 0.15 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 2kl3 n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl3 s ARG 111 N -2.88 4.27 0.13 1.43 1.70 -0.54 -5.08 118.95 117.97 2kl3 s ARG 111 Ca -0.29 0.36 0.09 0.00 -0.47 0.00 0.00 55.73 55.43 2kl3 s ARG 111 Cb 0.04 -3.48 -0.04 0.00 -0.57 0.00 0.00 34.95 30.90 2kl3 s ARG 111 CO 0.43 0.06 -0.22 0.95 -1.08 0.00 0.00 175.30 175.44 2kl3 s THR 112 N 0.95 1.94 -0.58 4.99 -4.23 -1.26 -4.42 115.64 113.03 2kl3 s THR 112 Ca 0.23 -1.72 -0.26 0.00 -1.18 0.00 0.00 61.69 58.77 2kl3 s THR 112 Cb -0.15 -1.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.82 2kl3 s THR 112 CO 0.09 -0.07 2.42 -0.81 -0.54 0.00 0.00 174.62 175.71 2kl3 n PRO 113 N 0.81 0.89 -3.70 3.99 -0.04 -1.26 -4.89 135.00 130.80 2kl3 n PRO 113 Ca -0.17 -0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 62.97 2kl3 n PRO 113 Cb 0.54 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.49 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 12.79 -0.74 0.00 0.55 0.00 -1.26 -5.08 121.76 128.02 2kl3 s ALA 114 Ca 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2kl3 s ALA 114 Cb -0.19 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2kl3 s ALA 114 CO 0.22 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2kl3 n GLY 115 N -0.10 -2.22 3.55 0.00 0.00 -1.26 -5.13 105.19 100.03 2kl3 n GLY 115 Ca -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -2.32 -0.30 4.61 0.00 -1.26 -5.15 121.76 117.34 2kl3 s ALA 116 Ca 0.00 2.22 -0.14 0.00 0.00 0.00 0.00 51.96 54.04 2kl3 s ALA 116 Cb 0.00 -1.84 0.15 0.00 0.00 0.00 0.00 23.12 21.44 2kl3 s ALA 116 CO 0.00 -0.80 0.93 0.34 0.00 0.00 0.00 175.76 176.23 2kl3 s ASP 117 N 2.36 -0.67 -0.21 0.00 2.15 -1.26 -5.16 116.67 113.88 2kl3 s ASP 117 Ca -0.06 0.94 -0.04 0.00 0.43 0.00 0.00 52.55 53.82 2kl3 s ASP 117 Cb -0.08 1.70 0.09 0.00 -0.30 0.00 0.00 42.92 44.33 2kl3 s ASP 117 CO -0.18 -0.13 0.20 -1.81 -0.17 0.00 0.00 175.17 173.07 2kl3 s ASP 118 N 2.37 1.71 -0.41 -0.34 1.11 -1.26 -5.05 116.67 114.79 2kl3 s ASP 118 Ca -0.04 -0.40 0.05 0.00 0.18 0.00 0.00 52.55 52.34 2kl3 s ASP 118 Cb -0.07 0.22 0.17 0.00 1.07 0.00 0.00 42.92 44.32 2kl3 s ASP 118 CO -0.17 -0.34 0.48 -0.47 1.18 0.00 0.00 175.17 175.84 2kl3 s TYR 119 N 2.28 -0.53 -0.68 4.23 5.04 -1.26 -5.06 117.35 121.38 2kl3 s TYR 119 Ca 0.06 -0.88 0.05 0.00 -2.44 0.00 0.00 57.07 53.86 2kl3 s TYR 119 Cb -0.16 -0.25 0.20 0.00 0.35 0.00 0.00 41.96 42.11 2kl3 s TYR 119 CO -0.14 -1.04 0.60 -1.71 -1.34 0.00 0.00 175.55 171.92 2kl3 n ASN 120 N 3.76 3.29 -3.72 4.32 5.15 -1.26 -5.04 115.26 121.76 2kl3 n ASN 120 Ca 0.16 -3.30 -0.24 0.00 -0.60 0.00 0.00 54.58 50.59 2kl3 n ASN 120 Cb 0.49 -0.72 -0.17 0.00 -0.53 0.00 0.00 39.78 38.85 2kl3 n ASN 120 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2kl3 s VAL 121 N -1.88 0.27 -0.22 3.44 1.01 -1.26 -5.13 120.40 116.62 2kl3 s VAL 121 Ca 0.31 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 2kl3 s VAL 121 Cb 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 2kl3 s VAL 121 CO -0.10 0.04 0.12 0.68 0.00 0.00 0.00 175.10 175.84 2kl3 s VAL 122 N 2.00 5.10 -0.42 2.92 -7.23 -1.26 -5.07 120.40 116.43 2kl3 s VAL 122 Ca 0.03 0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.23 2kl3 s VAL 122 Cb -0.14 -3.36 0.11 0.00 0.56 0.00 0.00 36.38 33.55 2kl3 s VAL 122 CO -0.06 0.38 0.25 -0.55 -0.31 0.00 0.00 175.10 174.80 2kl3 s SER 123 N 0.91 5.43 -0.30 4.85 0.15 -1.26 -5.01 113.70 118.48 2kl3 s SER 123 Ca 0.06 -1.89 -0.09 0.00 0.70 0.00 0.00 55.95 54.74 2kl3 s SER 123 Cb -0.13 -1.90 0.18 0.00 -1.71 0.00 0.00 66.02 62.45 2kl3 s SER 123 CO 0.03 -0.58 0.86 -0.60 1.20 0.00 0.00 173.24 174.15 2kl3 s ARG 124 N 1.25 0.36 0.26 5.44 3.00 -1.26 -5.18 118.95 122.82 2kl3 s ARG 124 Ca 0.06 0.67 0.09 0.00 -1.00 0.00 0.00 55.73 55.55 2kl3 s ARG 124 Cb -0.24 0.38 -0.04 0.00 0.00 0.00 0.00 34.95 35.05 2kl3 s ARG 124 CO -0.02 -0.35 0.05 -1.17 0.00 0.00 0.00 175.30 173.81 2kl3 s LEU 125 N 2.86 3.37 -0.02 -0.88 2.96 -1.26 -5.14 118.68 120.57 2kl3 s LEU 125 Ca 0.07 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2kl3 s LEU 125 Cb -0.12 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2kl3 s LEU 125 CO -0.16 -0.00 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.14 2kl3 s GLU 126 N -3.67 0.52 -0.40 1.98 -6.30 -1.26 -5.10 118.70 104.47 2kl3 s GLU 126 Ca 0.32 -0.08 0.08 0.00 -2.50 0.00 0.00 54.97 52.78 2kl3 s GLU 126 Cb -0.07 -0.57 0.25 0.00 0.00 0.00 0.00 34.13 33.74 2kl3 s GLU 126 CO 0.21 -0.02 0.54 -2.39 0.02 0.00 0.00 175.26 173.62 2kl3 n HIS 127 N 3.66 -0.12 -2.25 5.30 1.44 -1.26 -5.12 115.22 116.87 2kl3 n HIS 127 Ca -0.21 -3.60 -0.38 0.00 -2.01 0.00 0.00 57.72 51.51 2kl3 n HIS 127 Cb 0.53 -0.36 -0.01 0.00 0.12 0.00 0.00 29.99 30.26 2kl3 n HIS 127 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kl3 s HIS 128 N -1.30 2.98 0.35 -1.40 -3.43 -1.26 -5.05 115.29 106.18 2kl3 s HIS 128 Ca 0.35 1.53 0.02 0.00 -0.80 0.00 0.00 55.06 56.16 2kl3 s HIS 128 Cb 0.17 -3.43 -0.01 0.00 -1.43 0.00 0.00 32.58 27.88 2kl3 s HIS 128 CO -0.10 -1.49 0.42 -1.01 -2.00 0.00 0.00 174.74 170.55 2kl3 s HIS 129 N -1.42 1.37 -0.08 0.38 3.76 -1.26 -5.10 115.29 112.94 2kl3 s HIS 129 Ca 0.59 -1.47 -0.06 0.00 -0.15 0.00 0.00 55.06 53.97 2kl3 s HIS 129 Cb -0.31 -0.32 0.02 0.00 1.11 0.00 0.00 32.58 33.08 2kl3 s HIS 129 CO 0.39 -1.07 0.12 1.58 -0.85 0.00 0.00 174.74 174.91 2kl3 n HIS 130 N -0.61 -2.83 -3.80 1.40 -0.00 -1.26 -5.11 115.22 103.01 2kl3 n HIS 130 Ca 0.04 1.66 -0.12 0.00 -0.00 0.00 0.00 57.72 59.29 2kl3 n HIS 130 Cb 0.62 -3.03 -0.09 0.00 -0.00 0.00 0.00 29.99 27.49 2kl3 n HIS 130 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kl3 s HIS 131 N -0.40 -0.07 -2.57 1.57 3.76 -1.26 -5.34 115.29 110.99 2kl3 s HIS 131 Ca -0.14 0.02 0.21 0.00 -0.15 0.00 0.00 55.06 55.00 2kl3 s HIS 131 Cb 0.01 0.04 0.16 0.00 1.11 0.00 0.00 32.58 33.90 2kl3 s HIS 131 CO 0.37 -0.40 1.15 1.58 -0.85 0.00 0.00 174.74 176.59