#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl2 s ALA 2 N 0.00 3.72 -0.26 3.04 0.00 0.14 -4.93 121.76 123.47 2kl2 s ALA 2 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2kl2 s ALA 2 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2kl2 s ALA 2 CO 0.00 0.54 0.35 -1.01 0.00 0.00 0.00 175.76 175.64 2kl2 s HIS 3 N -1.25 3.27 0.47 0.00 0.09 -1.26 -0.81 115.29 115.80 2kl2 s HIS 3 Ca 0.28 0.41 0.03 0.00 -0.00 0.00 0.00 55.06 55.79 2kl2 s HIS 3 Cb -0.15 -2.53 -0.04 0.00 -0.00 0.00 0.00 32.58 29.86 2kl2 s HIS 3 CO 0.15 -0.17 0.03 0.96 -0.00 0.00 0.00 174.74 175.71 2kl2 s ILE 4 N 1.86 1.51 -0.04 0.60 -4.36 -0.83 -2.48 121.20 117.45 2kl2 s ILE 4 Ca 0.15 -1.97 0.07 0.00 -0.26 0.00 0.00 60.65 58.63 2kl2 s ILE 4 Cb -0.15 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 2kl2 s ILE 4 CO 0.09 0.00 -0.25 0.12 0.24 0.00 0.00 174.94 175.14 2kl2 s PHE 5 N -2.81 2.33 0.19 1.37 5.36 -1.09 -2.95 117.98 120.39 2kl2 s PHE 5 Ca 0.18 -0.59 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 2kl2 s PHE 5 Cb 0.04 -1.52 -0.08 0.00 -0.34 0.00 0.00 43.02 41.13 2kl2 s PHE 5 CO 0.09 -0.14 0.99 0.14 -1.46 0.00 0.00 175.22 174.85 2kl2 s VAL 6 N -0.33 4.11 0.33 3.12 -7.23 -1.09 -4.84 120.40 114.46 2kl2 s VAL 6 Ca 0.02 1.93 0.22 0.00 -1.81 0.00 0.00 61.98 62.34 2kl2 s VAL 6 Cb -0.12 -4.23 0.21 0.00 0.56 0.00 0.00 36.38 32.80 2kl2 s VAL 6 CO 0.02 0.38 1.92 0.22 -0.31 0.00 0.00 175.10 177.33 2kl2 h TYR 7 N 4.76 0.00 0.00 2.82 3.20 -1.95 -3.41 116.97 122.39 2kl2 h TYR 7 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2kl2 h TYR 7 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2kl2 h TYR 7 CO 0.62 0.23 0.00 0.41 -1.64 0.00 0.00 178.16 177.79 2kl2 n GLY 8 N -0.38 1.27 0.10 1.82 0.00 -1.26 -4.80 105.19 101.94 2kl2 n GLY 8 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2kl2 n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kl2 n THR 9 N 0.00 0.54 -2.34 2.61 -2.24 -1.26 -3.60 114.28 107.99 2kl2 n THR 9 Ca 0.00 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 2kl2 n THR 9 Cb 0.00 -0.45 0.03 0.00 -2.10 0.00 0.00 70.33 67.80 2kl2 n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kl2 n LEU 10 N -2.24 3.71 0.00 3.22 7.99 -1.26 -2.23 117.00 126.19 2kl2 n LEU 10 Ca 0.05 -4.20 0.00 0.00 -0.01 0.00 0.00 56.01 51.85 2kl2 n LEU 10 Cb 0.44 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 2kl2 n LEU 10 CO 0.32 1.76 0.00 1.17 -1.51 0.00 0.00 177.39 179.13 2kl2 n LYS 11 N -0.63 0.00 0.03 3.23 0.00 -1.24 -4.98 118.16 114.58 2kl2 n LYS 11 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.60 2kl2 n LYS 11 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.91 2kl2 n LYS 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2kl2 h ARG 12 N 0.00 -0.07 0.00 1.64 9.65 -1.91 -3.45 114.38 120.23 2kl2 h ARG 12 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kl2 h ARG 12 Cb 0.00 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2kl2 h ARG 12 CO 0.00 -0.05 0.00 0.41 2.80 0.00 0.00 179.97 183.13 2kl2 n GLY 13 N -0.08 1.00 3.50 2.80 0.00 -1.26 -5.15 105.19 106.00 2kl2 n GLY 13 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2kl2 n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kl2 n GLN 14 N 0.00 0.70 -0.23 1.61 3.00 -1.26 -4.82 117.38 116.38 2kl2 n GLN 14 Ca 0.00 0.26 0.31 0.00 -0.01 0.00 0.00 57.00 57.57 2kl2 n GLN 14 Cb 0.17 -1.73 0.73 0.00 0.00 0.00 0.00 30.24 29.41 2kl2 n GLN 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2kl2 h PRO 15 N 0.66 0.00 0.00 -1.09 0.13 -1.97 -1.94 132.00 127.79 2kl2 h PRO 15 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 2kl2 h PRO 15 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2kl2 h PRO 15 CO 0.50 0.00 -0.50 -0.91 -0.23 0.00 0.00 178.00 176.87 2kl2 h ASN 16 N 0.00 0.00 -0.71 1.44 2.35 -1.88 -3.36 115.58 113.43 2kl2 h ASN 16 Ca 0.48 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.42 2kl2 h ASN 16 Cb 2.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.36 2kl2 h ASN 16 CO -0.01 0.38 0.50 -0.74 -1.65 0.00 0.00 177.43 175.91 2kl2 h HIS 17 N 0.00 0.16 -0.24 1.19 2.76 -0.87 -1.18 115.15 116.96 2kl2 h HIS 17 Ca -0.02 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2kl2 h HIS 17 Cb 1.30 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 2kl2 h HIS 17 CO 0.00 0.05 0.39 1.57 -1.30 0.00 0.00 177.93 178.64 2kl2 h LYS 18 N 0.13 0.00 -0.05 5.26 5.09 -1.81 -0.57 116.57 124.62 2kl2 h LYS 18 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.08 2kl2 h LYS 18 Cb 1.17 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.50 2kl2 h LYS 18 CO -0.05 0.00 0.03 -0.39 -2.09 0.00 0.00 179.45 176.96 2kl2 h VAL 19 N 0.00 1.02 0.00 0.07 -1.51 -1.53 -2.88 116.25 111.42 2kl2 h VAL 19 Ca 0.11 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 2kl2 h VAL 19 Cb 0.89 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2kl2 h VAL 19 CO -0.00 0.01 0.00 1.15 -1.23 0.00 0.00 177.57 177.50 2kl2 n MET 20 N -5.05 0.88 0.00 5.19 0.00 -0.22 -2.47 117.12 115.45 2kl2 n MET 20 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.75 2kl2 n MET 20 Cb 0.03 -1.22 0.07 0.00 0.00 0.00 0.00 33.22 32.10 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kl2 n LEU 21 N -0.72 1.55 -3.99 3.17 4.77 -1.09 -4.71 117.00 115.97 2kl2 n LEU 21 Ca 0.09 -0.56 -0.31 0.00 -0.03 0.00 0.00 56.01 55.20 2kl2 n LEU 21 Cb 0.04 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 2kl2 n LEU 21 CO 0.07 0.30 -0.36 -1.81 -1.33 0.00 0.00 177.39 174.26 2kl2 s ASP 22 N -2.61 4.55 0.46 -1.43 1.01 -1.03 -4.99 116.67 112.64 2kl2 s ASP 22 Ca 0.17 -1.87 0.28 0.00 0.71 0.00 0.00 52.55 51.84 2kl2 s ASP 22 Cb 0.18 -1.50 1.54 0.00 1.01 0.00 0.00 42.92 44.15 2kl2 s ASP 22 CO 0.62 -0.33 1.85 -0.74 0.21 0.00 0.00 175.17 176.78 2kl2 h HIS 23 N 7.72 0.00 0.00 4.23 -0.00 -1.83 0.02 115.15 125.29 2kl2 h HIS 23 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2kl2 h HIS 23 Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.44 2kl2 h HIS 23 CO 0.49 0.00 -0.01 0.77 -0.00 0.00 0.00 177.93 179.18 2kl2 h SER 24 N 0.00 0.00 1.05 3.26 0.02 -1.94 0.42 113.55 116.36 2kl2 h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kl2 h SER 24 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2kl2 h SER 24 CO 0.00 0.01 -0.46 0.45 -1.14 0.00 0.00 176.83 175.69 2kl2 h HIS 25 N 0.00 0.00 0.00 3.45 3.86 -1.25 -3.50 115.15 117.71 2kl2 h HIS 25 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kl2 h HIS 25 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2kl2 h HIS 25 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2kl2 n GLY 26 N 1.32 2.76 3.75 2.45 0.00 0.14 -3.46 105.19 112.15 2kl2 n GLY 26 Ca 0.04 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 2kl2 n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kl2 s LEU 27 N 0.00 4.53 -0.00 0.99 1.98 -1.26 -4.44 118.68 120.48 2kl2 s LEU 27 Ca 0.00 2.26 0.00 0.00 -2.89 0.00 0.00 54.13 53.50 2kl2 s LEU 27 Cb 0.00 -3.62 0.00 0.00 0.66 0.00 0.00 46.19 43.23 2kl2 s LEU 27 CO 0.00 -0.18 0.00 0.00 -1.89 0.00 0.00 176.35 174.28 2kl2 s ALA 28 N -0.96 0.03 -0.07 5.97 0.00 -1.26 -3.00 121.76 122.48 2kl2 s ALA 28 Ca 0.46 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 2kl2 s ALA 28 Cb -0.32 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2kl2 s ALA 28 CO 0.40 -0.01 0.19 0.00 0.00 0.00 0.00 175.76 176.34 2kl2 s ALA 29 N 0.14 -0.46 -1.01 0.00 0.00 0.04 -4.99 121.76 115.49 2kl2 s ALA 29 Ca -0.01 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 2kl2 s ALA 29 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2kl2 s ALA 29 CO -0.00 -0.09 1.83 0.12 0.00 0.00 0.00 175.76 177.61 2kl2 s PHE 30 N 0.13 2.05 -1.21 0.00 5.36 -1.26 -1.52 117.98 121.53 2kl2 s PHE 30 Ca -0.00 0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 56.05 2kl2 s PHE 30 Cb -0.02 -4.22 0.21 0.00 -0.34 0.00 0.00 43.02 38.65 2kl2 s PHE 30 CO 0.00 -1.69 1.96 -2.13 -1.46 0.00 0.00 175.22 171.90 2kl2 n ARG 31 N 8.73 4.46 0.00 10.12 3.00 -0.24 -4.77 116.66 137.96 2kl2 n ARG 31 Ca 0.40 -3.92 0.00 0.00 -0.00 0.00 0.00 57.85 54.33 2kl2 n ARG 31 Cb 0.48 -2.66 0.00 0.00 0.00 0.00 0.00 32.46 30.27 2kl2 n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kl2 n GLY 32 N 1.62 -1.55 3.22 5.14 0.00 -1.26 -4.37 105.19 108.00 2kl2 n GLY 32 Ca 0.46 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2kl2 n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kl2 s ARG 33 N 0.00 1.27 0.09 1.61 1.70 -0.61 -2.31 118.95 120.70 2kl2 s ARG 33 Ca 0.00 -1.68 -0.26 0.00 -0.47 0.00 0.00 55.73 53.32 2kl2 s ARG 33 Cb 0.00 0.19 0.09 0.00 -0.57 0.00 0.00 34.95 34.66 2kl2 s ARG 33 CO 0.00 -0.39 1.12 0.20 -1.08 0.00 0.00 175.30 175.15 2kl2 s GLY 34 N -3.20 -0.17 0.08 3.88 0.00 -1.18 -0.43 107.32 106.30 2kl2 s GLY 34 Ca 0.39 0.14 0.01 0.00 0.00 0.00 0.00 44.72 45.26 2kl2 s GLY 34 CO 0.13 1.47 -0.06 0.00 0.00 0.00 0.00 173.10 174.64 2kl2 s THR 36 N -3.25 4.23 0.00 0.00 -4.23 -1.03 -1.06 115.64 110.30 2kl2 s THR 36 Ca 0.06 1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 61.89 2kl2 s THR 36 Cb 0.03 -3.98 -0.25 0.00 1.34 0.00 0.00 72.50 69.64 2kl2 s THR 36 CO -0.05 -0.09 1.07 0.58 -0.54 0.00 0.00 174.62 175.59 2kl2 h VAL 37 N 5.34 1.43 -2.82 2.29 2.07 -1.90 -3.38 116.25 119.27 2kl2 h VAL 37 Ca -0.29 -2.18 -0.55 0.00 0.82 0.00 0.00 66.70 64.50 2kl2 h VAL 37 Cb 1.12 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 2kl2 h VAL 37 CO 0.94 0.63 0.93 -1.61 0.02 0.00 0.00 177.57 178.49 2kl2 s GLU 38 N -3.08 4.24 0.41 1.57 0.41 -1.26 -4.92 118.70 116.06 2kl2 s GLU 38 Ca -0.13 1.91 -0.26 0.00 -0.41 0.00 0.00 54.97 56.09 2kl2 s GLU 38 Cb 0.03 -3.77 -0.10 0.00 -1.78 0.00 0.00 34.13 28.51 2kl2 s GLU 38 CO 0.83 -0.70 1.22 0.43 -0.49 0.00 0.00 175.26 176.55 2kl2 n SER 39 N 6.35 2.30 -4.10 -0.19 7.64 -1.26 -4.61 113.62 119.75 2kl2 n SER 39 Ca 0.15 1.11 -0.12 0.00 1.01 0.00 0.00 58.87 61.01 2kl2 n SER 39 Cb 0.44 -1.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.06 2kl2 n SER 39 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kl2 s PHE 40 N -1.20 0.77 -0.95 1.43 0.08 0.52 -0.37 117.98 118.26 2kl2 s PHE 40 Ca 0.61 -0.64 -0.24 0.00 0.12 0.00 0.00 56.93 56.78 2kl2 s PHE 40 Cb -0.53 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2kl2 s PHE 40 CO 0.58 -0.10 1.49 -2.14 -0.10 0.00 0.00 175.22 174.96 2kl2 s PRO 41 N -2.35 3.38 -0.99 0.24 0.02 -0.85 -0.97 135.00 133.47 2kl2 s PRO 41 Ca -0.02 -0.84 -0.19 0.00 0.02 0.00 0.00 61.00 59.97 2kl2 s PRO 41 Cb -0.05 -5.12 0.11 0.00 0.02 0.00 0.00 34.50 29.47 2kl2 s PRO 41 CO -0.01 -2.35 1.26 -1.17 -0.33 0.00 0.00 177.00 174.39 2kl2 s LEU 42 N 5.81 4.64 0.56 -5.54 0.20 -1.26 -3.12 118.68 119.97 2kl2 s LEU 42 Ca 0.48 -2.02 -0.03 0.00 0.69 0.00 0.00 54.13 53.25 2kl2 s LEU 42 Cb -0.02 -2.45 0.02 0.00 -0.43 0.00 0.00 46.19 43.31 2kl2 s LEU 42 CO -0.04 -1.14 0.83 -0.69 -0.29 0.00 0.00 176.35 175.01 2kl2 s VAL 43 N 3.18 3.29 -0.06 1.68 1.01 0.04 -0.78 120.40 128.75 2kl2 s VAL 43 Ca 0.38 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2kl2 s VAL 43 Cb -0.03 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2kl2 s VAL 43 CO -0.08 -0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 174.09 2kl2 s ILE 44 N -2.86 0.71 0.28 2.22 1.01 -1.26 -0.45 121.20 120.85 2kl2 s ILE 44 Ca 0.54 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.01 2kl2 s ILE 44 Cb -0.10 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 2kl2 s ILE 44 CO 0.41 0.28 0.29 0.00 0.00 0.00 0.00 174.94 175.92 2kl2 s ALA 45 N 1.15 1.20 0.00 9.38 0.00 -0.95 -4.94 121.76 127.59 2kl2 s ALA 45 Ca -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2kl2 s ALA 45 Cb -0.14 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.32 2kl2 s ALA 45 CO -0.01 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2kl2 n GLY 46 N -0.47 -2.18 0.12 0.00 0.00 -1.26 -2.04 105.19 99.37 2kl2 n GLY 46 Ca 0.03 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.65 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kl2 h GLU 47 N 0.00 0.00 -0.37 1.61 4.81 -2.01 -3.36 114.58 115.26 2kl2 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kl2 h GLU 47 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kl2 h GLU 47 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 2kl2 n HIS 48 N -2.60 0.49 -2.95 0.92 8.25 -1.26 -4.99 115.22 113.07 2kl2 n HIS 48 Ca 0.02 -0.45 -0.09 0.00 -0.26 0.00 0.00 57.72 56.94 2kl2 n HIS 48 Cb 0.51 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.64 2kl2 n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kl2 n ASN 49 N 0.69 -6.29 -4.25 0.41 4.13 -1.25 -3.10 115.26 105.59 2kl2 n ASN 49 Ca 0.13 -0.44 -0.43 0.00 1.68 0.00 0.00 54.58 55.51 2kl2 n ASN 49 Cb 0.44 -4.59 -0.05 0.00 -1.54 0.00 0.00 39.78 34.04 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kl2 s ILE 50 N -3.23 4.99 0.32 2.41 1.01 -0.86 -3.94 121.20 121.90 2kl2 s ILE 50 Ca 0.27 -2.63 -0.29 0.00 0.00 0.00 0.00 60.65 58.00 2kl2 s ILE 50 Cb -0.04 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 2kl2 s ILE 50 CO 0.64 -0.98 1.40 -0.81 0.00 0.00 0.00 174.94 175.19 2kl2 n PRO 51 N 3.81 2.33 -4.61 2.79 -0.04 -1.26 -2.24 135.00 135.78 2kl2 n PRO 51 Ca 0.12 0.82 -0.24 0.00 -0.04 0.00 0.00 63.50 64.16 2kl2 n PRO 51 Cb 0.44 -2.48 -0.16 0.00 -0.04 0.00 0.00 33.50 31.26 2kl2 n PRO 51 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kl2 s TRP 52 N -0.75 1.41 -1.81 0.54 0.52 0.40 -4.96 118.94 114.29 2kl2 s TRP 52 Ca 0.58 -0.46 0.28 0.00 0.02 0.00 0.00 56.10 56.53 2kl2 s TRP 52 Cb -0.55 -1.00 1.16 0.00 -1.15 0.00 0.00 33.47 31.92 2kl2 s TRP 52 CO 0.58 -0.21 1.81 -0.11 0.02 0.00 0.00 176.95 179.05 2kl2 n LEU 53 N 3.53 0.69 -3.15 2.99 7.94 -1.26 -0.78 117.00 126.96 2kl2 n LEU 53 Ca -0.21 -0.12 -0.01 0.00 -1.11 0.00 0.00 56.01 54.57 2kl2 n LEU 53 Cb 0.53 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2kl2 n LEU 53 CO 0.25 0.12 -0.49 0.18 -1.11 0.00 0.00 177.39 176.34 2kl2 n LEU 54 N -0.74 -3.99 -4.53 -1.96 4.77 -1.18 -3.59 117.00 105.78 2kl2 n LEU 54 Ca 0.15 0.49 -0.30 0.00 -0.03 0.00 0.00 56.01 56.33 2kl2 n LEU 54 Cb 0.29 -1.75 -0.12 0.00 -2.33 0.00 0.00 43.42 39.51 2kl2 n LEU 54 CO 0.23 -1.56 1.93 0.00 -1.33 0.00 0.00 177.39 176.67 2kl2 n TYR 55 N 1.19 0.79 -3.03 -1.77 9.36 -0.17 -4.28 117.16 119.25 2kl2 n TYR 55 Ca -0.00 0.14 -0.02 0.00 3.32 0.00 0.00 57.90 61.34 2kl2 n TYR 55 Cb 0.46 -2.07 -0.00 0.00 -0.63 0.00 0.00 39.34 37.09 2kl2 n TYR 55 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2kl2 s LEU 56 N 9.07 -1.43 0.58 2.98 0.20 -1.26 -4.95 118.68 123.87 2kl2 s LEU 56 Ca 1.16 -1.22 -0.20 0.00 0.69 0.00 0.00 54.13 54.55 2kl2 s LEU 56 Cb -0.64 1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 46.96 2kl2 s LEU 56 CO 0.36 -0.12 1.33 -2.16 -0.29 0.00 0.00 176.35 175.47 2kl2 s PRO 57 N 1.41 2.94 -0.32 0.98 0.04 -1.26 -3.36 135.00 135.44 2kl2 s PRO 57 Ca 0.22 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2kl2 s PRO 57 Cb -0.03 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2kl2 s PRO 57 CO -0.06 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.07 2kl2 n GLY 58 N 0.77 0.61 2.86 0.56 0.00 0.50 -4.91 105.19 105.58 2kl2 n GLY 58 Ca 0.12 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 2kl2 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kl2 s LYS 59 N -1.61 0.51 3.84 1.61 2.36 -0.68 -4.81 119.74 120.98 2kl2 s LYS 59 Ca 0.00 -0.01 0.00 0.00 -2.55 0.00 0.00 55.97 53.41 2kl2 s LYS 59 Cb 0.00 -0.61 0.00 0.00 -1.05 0.00 0.00 37.83 36.17 2kl2 s LYS 59 CO 0.00 -0.10 0.00 0.41 1.55 0.00 0.00 175.35 177.21 2kl2 n GLY 60 N 4.02 1.23 3.17 5.54 0.00 -1.26 -1.38 105.19 116.51 2kl2 n GLY 60 Ca -0.26 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2kl2 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kl2 s HIS 61 N 0.00 0.88 -0.64 1.61 3.76 -0.14 -4.65 115.29 116.10 2kl2 s HIS 61 Ca 0.00 -0.95 -0.21 0.00 -0.15 0.00 0.00 55.06 53.75 2kl2 s HIS 61 Cb 0.00 -0.52 0.09 0.00 1.11 0.00 0.00 32.58 33.26 2kl2 s HIS 61 CO 0.00 -0.19 0.86 0.00 -0.85 0.00 0.00 174.74 174.56 2kl2 s VAL 63 N 3.38 3.44 0.76 0.00 1.01 -1.24 -4.77 120.40 122.99 2kl2 s VAL 63 Ca 0.18 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2kl2 s VAL 63 Cb -0.20 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.08 2kl2 s VAL 63 CO 0.07 -1.12 1.13 0.42 0.00 0.00 0.00 175.10 175.60 2kl2 s THR 64 N 8.41 2.86 0.00 3.92 -4.23 -1.23 -2.47 115.64 122.91 2kl2 s THR 64 Ca 0.61 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 2kl2 s THR 64 Cb -0.11 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2kl2 s THR 64 CO 0.18 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2kl2 n GLY 65 N -0.44 1.19 3.35 3.99 0.00 -0.46 -4.85 105.19 107.96 2kl2 n GLY 65 Ca 0.11 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2kl2 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl2 s GLU 66 N 2.87 1.51 -0.26 1.61 2.02 -1.24 -3.10 118.70 122.10 2kl2 s GLU 66 Ca 0.00 -1.83 -0.00 0.00 0.02 0.00 0.00 54.97 53.15 2kl2 s GLU 66 Cb 0.00 -0.34 0.04 0.00 0.10 0.00 0.00 34.13 33.93 2kl2 s GLU 66 CO 0.00 -0.32 -0.07 0.42 0.02 0.00 0.00 175.26 175.31 2kl2 s ILE 67 N -3.64 2.67 -0.32 -1.63 1.01 -0.98 -2.66 121.20 115.65 2kl2 s ILE 67 Ca 0.37 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 2kl2 s ILE 67 Cb 0.07 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 2kl2 s ILE 67 CO 0.15 0.09 0.20 -0.31 0.00 0.00 0.00 174.94 175.07 2kl2 s TYR 68 N 1.25 3.21 0.29 3.97 1.51 -1.15 -1.07 117.35 125.35 2kl2 s TYR 68 Ca -0.03 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2kl2 s TYR 68 Cb -0.18 -2.42 -0.11 0.00 -0.11 0.00 0.00 41.96 39.14 2kl2 s TYR 68 CO -0.04 -0.38 1.50 -2.00 -1.11 0.00 0.00 175.55 173.51 2kl2 s GLU 69 N 1.68 4.19 0.23 -0.62 2.12 -0.58 -1.97 118.70 123.77 2kl2 s GLU 69 Ca 0.06 2.44 0.01 0.00 0.36 0.00 0.00 54.97 57.84 2kl2 s GLU 69 Cb -0.17 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 2kl2 s GLU 69 CO 0.09 -0.50 0.08 0.14 -0.54 0.00 0.00 175.26 174.53 2kl2 s VAL 70 N -0.26 0.53 0.45 3.70 -7.23 0.01 -0.78 120.40 116.82 2kl2 s VAL 70 Ca 0.59 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 2kl2 s VAL 70 Cb -0.45 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 2kl2 s VAL 70 CO 0.49 -0.11 0.38 -1.81 -0.31 0.00 0.00 175.10 173.73 2kl2 s ASP 71 N -3.27 4.89 0.24 4.85 1.01 -1.16 -0.69 116.67 122.55 2kl2 s ASP 71 Ca 0.35 -0.89 -0.05 0.00 0.71 0.00 0.00 52.55 52.67 2kl2 s ASP 71 Cb 0.07 -0.33 0.45 0.00 1.01 0.00 0.00 42.92 44.13 2kl2 s ASP 71 CO 0.11 -0.76 1.69 -0.33 0.21 0.00 0.00 175.17 176.09 2kl2 h GLU 72 N 0.98 0.27 -0.73 8.23 5.08 -1.97 -1.71 114.58 124.75 2kl2 h GLU 72 Ca -0.40 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2kl2 h GLU 72 Cb 1.27 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2kl2 h GLU 72 CO 0.58 0.18 0.39 0.37 -1.00 0.00 0.00 179.01 179.53 2kl2 h GLN 73 N 0.28 0.67 -0.03 2.33 5.75 -1.95 0.11 115.11 122.27 2kl2 h GLN 73 Ca 0.41 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.84 2kl2 h GLN 73 Cb 0.69 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2kl2 h GLN 73 CO -0.50 0.44 -0.09 1.98 -2.65 0.00 0.00 178.83 178.01 2kl2 h MET 74 N 0.69 0.11 -0.96 1.69 4.05 -1.36 -1.04 114.93 118.11 2kl2 h MET 74 Ca 0.34 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.74 2kl2 h MET 74 Cb 0.29 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 2kl2 h MET 74 CO -0.23 0.71 0.63 1.25 0.23 0.00 0.00 176.91 179.49 2kl2 h LEU 75 N -0.46 1.00 -0.39 3.39 6.46 -0.96 0.71 115.31 125.08 2kl2 h LEU 75 Ca -0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2kl2 h LEU 75 Cb 0.71 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2kl2 h LEU 75 CO 0.02 0.66 0.10 0.03 -0.62 0.00 0.00 178.44 178.62 2kl2 h ARG 76 N 1.15 0.62 -0.33 1.25 -0.00 -0.82 -2.64 114.38 113.60 2kl2 h ARG 76 Ca 0.40 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.98 59.73 2kl2 h ARG 76 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 29.99 2kl2 h ARG 76 CO -0.15 0.65 0.18 0.35 0.00 0.00 0.00 179.97 181.00 2kl2 h PHE 77 N 0.48 0.46 -0.81 3.04 3.04 -0.17 -2.93 116.94 120.04 2kl2 h PHE 77 Ca 0.12 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.12 2kl2 h PHE 77 Cb 0.31 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 2kl2 h PHE 77 CO 0.02 0.37 0.53 -0.07 -2.02 0.00 0.00 178.31 177.14 2kl2 h LEU 78 N 0.41 0.80 -2.65 0.59 3.38 -0.81 -0.35 115.31 116.69 2kl2 h LEU 78 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kl2 h LEU 78 Cb 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kl2 h LEU 78 CO -0.02 0.52 -0.01 -0.78 0.09 0.00 0.00 178.44 178.24 2kl2 h ASP 79 N 0.91 0.00 -0.02 -0.43 1.82 -1.28 0.49 116.42 117.91 2kl2 h ASP 79 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 2kl2 h ASP 79 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2kl2 h ASP 79 CO -0.12 0.01 -0.29 -0.67 -1.61 0.00 0.00 179.24 176.57 2kl2 n ASP 80 N -3.36 2.40 -0.10 2.28 2.03 -0.20 -2.08 116.55 117.52 2kl2 n ASP 80 Ca -0.03 -1.70 -0.13 0.00 0.52 0.00 0.00 54.79 53.45 2kl2 n ASP 80 Cb 0.10 0.29 -0.10 0.00 -0.72 0.00 0.00 41.12 40.69 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2kl2 n PHE 81 N 0.51 0.00 -1.33 -0.67 -0.00 0.07 -4.37 117.46 111.67 2kl2 n PHE 81 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.46 2kl2 n PHE 81 Cb 0.51 -0.80 0.20 0.00 -0.00 0.00 0.00 39.48 39.40 2kl2 n PHE 81 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2kl2 n GLU 82 N -3.01 2.16 -3.40 -4.13 0.28 -0.65 -4.98 120.64 106.91 2kl2 n GLU 82 Ca -0.35 -3.11 -0.24 0.00 -0.16 0.00 0.00 57.16 53.30 2kl2 n GLU 82 Cb 0.92 -1.96 0.05 0.00 1.43 0.00 0.00 31.44 31.88 2kl2 n GLU 82 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kl2 n ASP 83 N -1.03 -5.83 -4.91 -1.84 9.92 -1.24 -3.83 116.55 107.78 2kl2 n ASP 83 Ca 0.41 -0.46 -0.27 0.00 -0.53 0.00 0.00 54.79 53.94 2kl2 n ASP 83 Cb 1.25 -4.66 0.02 0.00 -0.64 0.00 0.00 41.12 37.10 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kl2 n PRO 85 N -2.54 0.17 -0.05 0.00 -0.04 -1.25 -4.84 135.00 126.45 2kl2 n PRO 85 Ca 0.04 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2kl2 n PRO 85 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kl2 h SER 86 N 0.00 -1.00 0.00 3.54 0.02 -1.79 -3.38 113.55 110.95 2kl2 h SER 86 Ca 0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2kl2 h SER 86 Cb 0.06 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2kl2 h SER 86 CO 0.00 -0.24 -0.45 0.24 -1.14 0.00 0.00 176.83 175.25 2kl2 h MET 87 N -0.25 0.00 -5.81 3.45 2.86 -1.02 -3.49 114.93 110.67 2kl2 h MET 87 Ca 0.03 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.07 2kl2 h MET 87 Cb 0.34 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2kl2 h MET 87 CO -0.30 0.06 -0.34 0.71 1.06 0.00 0.00 176.91 178.10 2kl2 s TYR 88 N -2.12 1.69 0.06 -0.22 1.51 -1.25 -4.55 117.35 112.47 2kl2 s TYR 88 Ca -0.13 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.11 2kl2 s TYR 88 Cb 0.02 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2kl2 s TYR 88 CO 0.20 -0.34 -0.10 -0.65 -1.11 0.00 0.00 175.55 173.55 2kl2 s GLN 89 N -4.21 0.65 -0.34 -0.62 1.11 0.62 -3.95 119.66 112.93 2kl2 s GLN 89 Ca 0.29 -0.85 -0.29 0.00 0.01 0.00 0.00 55.36 54.53 2kl2 s GLN 89 Cb -0.01 -0.49 0.01 0.00 -1.01 0.00 0.00 33.01 31.50 2kl2 s GLN 89 CO 0.18 0.10 1.23 0.50 0.01 0.00 0.00 175.29 177.31 2kl2 s ARG 90 N -1.70 3.90 0.43 2.91 3.00 -1.26 -0.55 118.95 125.68 2kl2 s ARG 90 Ca -0.06 1.08 0.07 0.00 -1.00 0.00 0.00 55.73 55.81 2kl2 s ARG 90 Cb -0.10 -3.86 -0.04 0.00 0.00 0.00 0.00 34.95 30.95 2kl2 s ARG 90 CO 0.01 -1.14 0.20 0.99 0.00 0.00 0.00 175.30 175.36 2kl2 s THR 91 N 4.29 2.23 0.02 4.11 2.01 0.57 -4.97 115.64 123.90 2kl2 s THR 91 Ca 0.53 -1.68 0.08 0.00 0.31 0.00 0.00 61.69 60.93 2kl2 s THR 91 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2kl2 s THR 91 CO 0.23 0.00 -0.24 0.00 -0.69 0.00 0.00 174.62 173.93 2kl2 s ALA 92 N -2.62 1.99 0.32 7.40 0.00 -1.26 -1.62 121.76 125.97 2kl2 s ALA 92 Ca 0.40 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 2kl2 s ALA 92 Cb 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2kl2 s ALA 92 CO 0.22 0.47 0.54 -0.48 0.00 0.00 0.00 175.76 176.51 2kl2 s LEU 93 N -0.98 0.61 -0.22 0.00 -0.00 -1.14 -4.98 118.68 111.98 2kl2 s LEU 93 Ca 0.09 -1.25 -0.09 0.00 -0.00 0.00 0.00 54.13 52.88 2kl2 s LEU 93 Cb -0.09 1.82 -0.05 0.00 -0.00 0.00 0.00 46.19 47.87 2kl2 s LEU 93 CO 0.01 -1.32 0.12 -1.58 -0.00 0.00 0.00 176.35 173.58 2kl2 s GLN 94 N -3.21 4.03 0.05 1.48 2.00 -1.26 -2.33 119.66 120.42 2kl2 s GLN 94 Ca 0.25 -0.30 0.08 0.00 -2.00 0.00 0.00 55.36 53.40 2kl2 s GLN 94 Cb -0.01 -3.41 -0.03 0.00 0.80 0.00 0.00 33.01 30.36 2kl2 s GLN 94 CO 0.15 0.14 -0.23 0.08 -0.50 0.00 0.00 175.29 174.93 2kl2 s VAL 95 N 0.80 1.90 0.16 1.34 1.01 -0.40 -3.58 120.40 121.63 2kl2 s VAL 95 Ca 0.06 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 2kl2 s VAL 95 Cb -0.13 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 2kl2 s VAL 95 CO 0.02 0.28 0.59 -1.58 0.00 0.00 0.00 175.10 174.40 2kl2 s GLN 96 N -1.22 4.04 -0.65 2.72 0.74 -0.23 -0.92 119.66 124.13 2kl2 s GLN 96 Ca 0.10 0.57 -0.04 0.00 0.05 0.00 0.00 55.36 56.04 2kl2 s GLN 96 Cb -0.09 -2.93 0.17 0.00 1.10 0.00 0.00 33.01 31.26 2kl2 s GLN 96 CO 0.02 0.46 0.48 0.54 -0.55 0.00 0.00 175.29 176.24 2kl2 s VAL 97 N -1.47 3.88 0.38 1.34 0.11 -1.03 -1.81 120.40 121.80 2kl2 s VAL 97 Ca 0.39 -2.98 0.31 0.00 -2.93 0.00 0.00 61.98 56.77 2kl2 s VAL 97 Cb -0.15 -3.51 0.33 0.00 -1.53 0.00 0.00 36.38 31.52 2kl2 s VAL 97 CO 0.19 -0.90 2.09 -0.07 -3.33 0.00 0.00 175.10 173.09 2kl2 h LEU 98 N 7.02 0.00 -7.00 2.54 4.07 -1.08 -3.44 115.31 117.43 2kl2 h LEU 98 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2kl2 h LEU 98 Cb 0.95 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.52 2kl2 h LEU 98 CO 0.72 0.08 0.23 -0.70 -1.08 0.00 0.00 178.44 177.69 2kl2 s GLU 99 N -4.06 1.08 -0.21 1.13 2.12 -1.03 -4.88 118.70 112.85 2kl2 s GLU 99 Ca -0.02 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 2kl2 s GLU 99 Cb 0.12 0.51 0.07 0.00 0.26 0.00 0.00 34.13 35.09 2kl2 s GLU 99 CO 0.55 -0.39 0.08 -0.46 -0.54 0.00 0.00 175.26 174.50 2kl2 s TRP 100 N -2.03 0.61 -0.45 5.30 -0.11 -1.26 -1.58 118.94 119.42 2kl2 s TRP 100 Ca -0.06 -0.71 -0.18 0.00 1.22 0.00 0.00 56.10 56.36 2kl2 s TRP 100 Cb -0.00 -0.92 0.03 0.00 -1.50 0.00 0.00 33.47 31.08 2kl2 s TRP 100 CO 0.02 -0.63 0.53 -1.21 -4.62 0.00 0.00 176.95 171.03 2kl2 s GLU 101 N 2.00 3.13 0.00 5.86 0.41 -1.26 -4.84 118.70 124.00 2kl2 s GLU 101 Ca 0.03 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 2kl2 s GLU 101 Cb -0.16 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.18 2kl2 s GLU 101 CO -0.15 -0.99 0.00 0.41 -0.49 0.00 0.00 175.26 174.03 2kl2 n GLY 102 N 5.12 -0.61 3.78 -1.39 0.00 -1.26 -4.55 105.19 106.27 2kl2 n GLY 102 Ca -0.06 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 2kl2 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 103 N -2.09 4.63 0.00 1.61 2.15 -1.26 -4.74 116.67 116.97 2kl2 s ASP 103 Ca 0.00 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.70 2kl2 s ASP 103 Cb 0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2kl2 s ASP 103 CO 0.00 -1.94 0.00 0.61 -0.17 0.00 0.00 175.17 173.67 2kl2 n GLY 104 N -1.44 0.34 3.30 2.66 0.00 -1.26 -5.04 105.19 103.76 2kl2 n GLY 104 Ca 0.08 -0.49 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 2kl2 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 105 N -2.04 6.60 0.00 1.61 2.15 -1.26 -4.95 116.67 118.78 2kl2 s ASP 105 Ca 0.00 -2.76 0.02 0.00 0.43 0.00 0.00 52.55 50.24 2kl2 s ASP 105 Cb 0.00 -2.17 0.14 0.00 -0.30 0.00 0.00 42.92 40.60 2kl2 s ASP 105 CO 0.00 -0.53 0.46 -0.81 -0.17 0.00 0.00 175.17 174.12 2kl2 n PRO 106 N 3.84 0.14 -0.09 4.34 -0.04 -1.26 -4.99 135.00 136.94 2kl2 n PRO 106 Ca 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2kl2 n PRO 106 Cb 0.46 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2kl2 n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kl2 n GLY 107 N -0.56 -2.06 0.00 0.55 0.00 -1.26 -4.53 105.19 97.33 2kl2 n GLY 107 Ca 0.02 -1.42 0.03 0.00 0.00 0.00 0.00 46.02 44.65 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl2 n ASP 108 N -0.41 0.00 -4.35 1.61 2.03 -1.26 -4.47 116.55 109.70 2kl2 n ASP 108 Ca 0.00 -0.76 -0.21 0.00 0.52 0.00 0.00 54.79 54.34 2kl2 n ASP 108 Cb 0.04 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.34 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kl2 s SER 109 N -1.72 2.71 0.08 1.67 1.04 -1.26 -2.47 113.70 113.75 2kl2 s SER 109 Ca 0.10 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.63 2kl2 s SER 109 Cb 0.05 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 2kl2 s SER 109 CO 0.08 -0.08 -0.11 0.54 0.98 0.00 0.00 173.24 174.64 2kl2 s VAL 110 N -2.44 0.95 0.44 5.02 0.11 -0.10 -4.64 120.40 119.75 2kl2 s VAL 110 Ca 0.19 -1.47 -0.16 0.00 -2.93 0.00 0.00 61.98 57.61 2kl2 s VAL 110 Cb -0.04 -1.18 -0.09 0.00 -1.53 0.00 0.00 36.38 33.55 2kl2 s VAL 110 CO 0.07 -0.43 0.89 -1.58 -3.33 0.00 0.00 175.10 170.73 2kl2 s GLN 111 N -2.32 4.01 0.12 1.54 0.74 -1.26 -1.27 119.66 121.21 2kl2 s GLN 111 Ca 0.01 0.87 0.01 0.00 0.05 0.00 0.00 55.36 56.30 2kl2 s GLN 111 Cb -0.06 -2.24 -0.00 0.00 1.10 0.00 0.00 33.01 31.80 2kl2 s GLN 111 CO 0.01 -0.09 0.14 0.00 -0.55 0.00 0.00 175.29 174.80 2kl2 s PHE 113 N -3.55 2.97 -0.01 0.00 0.08 -1.04 -2.87 117.98 113.57 2kl2 s PHE 113 Ca 0.12 -0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 2kl2 s PHE 113 Cb 0.00 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.95 2kl2 s PHE 113 CO 0.08 0.49 0.08 0.08 -0.10 0.00 0.00 175.22 175.86 2kl2 s VAL 114 N -1.44 0.06 -0.33 -0.44 1.01 -0.64 -2.66 120.40 115.96 2kl2 s VAL 114 Ca 0.26 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 2kl2 s VAL 114 Cb -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 2kl2 s VAL 114 CO 0.19 -0.28 0.66 -0.31 0.00 0.00 0.00 175.10 175.36 2kl2 s TYR 115 N -0.90 3.18 0.02 5.22 2.02 -1.26 -0.31 117.35 125.32 2kl2 s TYR 115 Ca -0.10 0.51 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 2kl2 s TYR 115 Cb -0.06 -3.11 -0.02 0.00 -0.40 0.00 0.00 41.96 38.38 2kl2 s TYR 115 CO 0.00 -0.57 -0.03 0.95 -1.57 0.00 0.00 175.55 174.34 2kl2 s THR 116 N 2.72 0.17 0.04 -0.71 -4.23 0.29 -4.83 115.64 109.10 2kl2 s THR 116 Ca 0.26 -0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 59.89 2kl2 s THR 116 Cb -0.14 -0.27 -0.06 0.00 1.34 0.00 0.00 72.50 73.36 2kl2 s THR 116 CO 0.13 -0.36 0.45 0.28 -0.54 0.00 0.00 174.62 174.58 2kl2 s THR 117 N -1.10 4.98 -1.11 3.99 -1.32 -1.26 -0.27 115.64 119.54 2kl2 s THR 117 Ca -0.11 0.85 0.11 0.00 -1.21 0.00 0.00 61.69 61.32 2kl2 s THR 117 Cb -0.08 -3.73 0.23 0.00 -1.51 0.00 0.00 72.50 67.41 2kl2 s THR 117 CO -0.01 0.50 1.12 0.00 -2.21 0.00 0.00 174.62 174.03 2kl2 n ALA 118 N 1.58 2.29 -0.99 11.08 0.00 -1.26 -1.00 120.51 132.21 2kl2 n ALA 118 Ca -0.12 -0.95 0.09 0.00 0.00 0.00 0.00 53.44 52.46 2kl2 n ALA 118 Cb 0.52 -0.42 0.23 0.00 0.00 0.00 0.00 19.45 19.78 2kl2 n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kl2 n THR 119 N 0.57 2.16 -1.41 0.00 -2.24 -1.26 -5.04 114.28 107.05 2kl2 n THR 119 Ca 0.10 -1.96 -0.31 0.00 -2.27 0.00 0.00 64.05 59.61 2kl2 n THR 119 Cb 0.38 -0.23 0.07 0.00 -2.10 0.00 0.00 70.33 68.45 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2kl2 s TYR 120 N -2.80 2.77 0.50 4.78 -0.85 -1.26 -5.05 117.35 115.44 2kl2 s TYR 120 Ca 0.39 1.51 -0.20 0.00 -0.52 0.00 0.00 57.07 58.25 2kl2 s TYR 120 Cb 0.32 -3.00 -0.08 0.00 0.38 0.00 0.00 41.96 39.58 2kl2 s TYR 120 CO 0.07 -1.59 1.07 0.00 -1.52 0.00 0.00 175.55 173.59 2kl2 s ALA 121 N -2.90 2.84 0.27 9.51 0.00 -1.26 -4.98 121.76 125.24 2kl2 s ALA 121 Ca 0.61 0.68 0.24 0.00 0.00 0.00 0.00 51.96 53.49 2kl2 s ALA 121 Cb -0.16 -3.29 1.11 0.00 0.00 0.00 0.00 23.12 20.78 2kl2 s ALA 121 CO 0.54 -0.44 1.92 -1.00 0.00 0.00 0.00 175.76 176.78 2kl2 h PRO 122 N 1.52 0.00 0.00 0.00 0.13 -2.03 -2.30 132.00 129.32 2kl2 h PRO 122 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2kl2 h PRO 122 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2kl2 h PRO 122 CO 0.59 0.20 -0.21 1.05 -0.23 0.00 0.00 178.00 179.40 2kl2 h GLU 123 N 0.00 0.00 0.00 0.86 9.09 -2.03 -3.14 114.58 119.37 2kl2 h GLU 123 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2kl2 h GLU 123 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 2kl2 h GLU 123 CO 0.03 0.21 0.00 0.91 0.05 0.00 0.00 179.01 180.21 2kl2 n TRP 124 N -3.55 0.49 0.30 2.06 7.02 -0.87 -1.56 117.44 121.34 2kl2 n TRP 124 Ca -0.01 0.18 0.17 0.00 -1.02 0.00 0.00 57.50 56.83 2kl2 n TRP 124 Cb 0.36 -0.79 0.80 0.00 -2.42 0.00 0.00 31.31 29.26 2kl2 n TRP 124 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2kl2 h LEU 125 N 0.00 0.00 -0.20 -0.99 -0.00 -1.70 -2.43 115.31 109.98 2kl2 h LEU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kl2 h LEU 125 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2kl2 h LEU 125 CO 0.00 0.00 -0.89 0.49 -0.00 0.00 0.00 178.44 178.04 2kl2 n PHE 126 N -2.82 0.00 -1.97 1.13 3.72 -0.60 -4.98 117.46 111.94 2kl2 n PHE 126 Ca -0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2kl2 n PHE 126 Cb 0.19 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 2kl2 n PHE 126 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kl2 s LEU 127 N -2.89 3.87 0.58 4.37 1.43 -0.92 -4.97 118.68 120.14 2kl2 s LEU 127 Ca 0.10 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 55.57 2kl2 s LEU 127 Cb 0.16 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 2kl2 s LEU 127 CO 0.81 -1.38 1.22 -2.16 0.23 0.00 0.00 176.35 175.08 2kl2 s PRO 128 N -2.91 3.03 0.35 1.29 0.04 -1.26 -4.94 135.00 130.59 2kl2 s PRO 128 Ca 0.70 1.88 0.07 0.00 0.04 0.00 0.00 61.00 63.69 2kl2 s PRO 128 Cb -0.35 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 2kl2 s PRO 128 CO 0.41 -1.18 0.39 0.71 0.04 0.00 0.00 177.00 177.38 2kl2 s TYR 129 N -1.55 2.95 0.23 0.56 2.02 -1.26 -4.21 117.35 116.10 2kl2 s TYR 129 Ca 0.76 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 2kl2 s TYR 129 Cb -0.32 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 2kl2 s TYR 129 CO 0.35 0.02 0.11 -1.01 -1.57 0.00 0.00 175.55 173.45 2kl2 s HIS 130 N -2.28 1.39 0.00 2.71 3.76 0.04 -4.97 115.29 115.94 2kl2 s HIS 130 Ca 0.45 -1.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 2kl2 s HIS 130 Cb -0.07 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.85 2kl2 s HIS 130 CO 0.29 -0.45 0.00 -1.91 -0.85 0.00 0.00 174.74 171.82 2kl2 n GLU 131 N -0.39 2.54 -3.65 1.40 2.13 -1.26 -4.20 120.64 117.21 2kl2 n GLU 131 Ca 0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2kl2 n GLU 131 Cb 0.66 -0.73 -0.08 0.00 0.27 0.00 0.00 31.44 31.56 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2kl2 s SER 132 N -1.28 -0.81 -0.03 4.31 0.01 -1.26 -3.53 113.70 111.12 2kl2 s SER 132 Ca 0.00 1.37 -0.24 0.00 1.31 0.00 0.00 55.95 58.38 2kl2 s SER 132 Cb 0.00 1.28 -0.04 0.00 0.21 0.00 0.00 66.02 67.47 2kl2 s SER 132 CO 0.00 -0.23 0.74 -0.47 0.41 0.00 0.00 173.24 173.69 2kl2 s TYR 133 N 1.24 3.64 0.06 2.43 5.04 -1.26 -5.08 117.35 123.42 2kl2 s TYR 133 Ca -0.07 1.35 -0.05 0.00 -2.44 0.00 0.00 57.07 55.86 2kl2 s TYR 133 Cb -0.05 -2.83 -0.02 0.00 0.35 0.00 0.00 41.96 39.41 2kl2 s TYR 133 CO -0.13 0.15 0.09 0.34 -1.34 0.00 0.00 175.55 174.66 2kl2 s ASP 134 N 0.52 0.25 0.31 4.32 -1.08 -1.26 -4.89 116.67 114.83 2kl2 s ASP 134 Ca 0.39 -0.71 0.01 0.00 -0.52 0.00 0.00 52.55 51.72 2kl2 s ASP 134 Cb -0.19 0.26 0.50 0.00 -1.46 0.00 0.00 42.92 42.03 2kl2 s ASP 134 CO 0.20 -0.62 1.85 -1.28 0.52 0.00 0.00 175.17 175.85 2kl2 h SER 135 N 3.18 0.65 -0.90 -0.34 0.87 -1.98 -3.33 113.55 111.69 2kl2 h SER 135 Ca -0.33 -0.11 -0.74 0.00 -1.23 0.00 0.00 61.79 59.37 2kl2 h SER 135 Cb 1.18 -0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 62.86 2kl2 h SER 135 CO 0.57 0.66 2.47 -0.62 -0.53 0.00 0.00 176.83 179.38 2kl2 n GLU 136 N -4.28 3.50 -3.92 2.24 1.02 -1.26 -4.85 120.64 113.08 2kl2 n GLU 136 Ca 0.03 -3.20 -0.09 0.00 -0.02 0.00 0.00 57.16 53.88 2kl2 n GLU 136 Cb 0.23 -2.99 -0.05 0.00 -0.02 0.00 0.00 31.44 28.61 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kl2 s GLY 137 N 1.52 0.34 0.00 0.62 0.00 -1.25 -5.06 107.32 103.48 2kl2 s GLY 137 Ca 0.44 -0.69 0.19 0.00 0.00 0.00 0.00 44.72 44.67 2kl2 s GLY 137 CO -0.03 -0.54 1.61 -1.55 0.00 0.00 0.00 173.10 172.59 2kl2 n PRO 138 N -0.35 0.20 -0.29 2.90 -0.04 -1.26 -4.01 135.00 132.15 2kl2 n PRO 138 Ca -0.04 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2kl2 n PRO 138 Cb 0.62 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 2kl2 n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kl2 h HIS 139 N 0.00 1.00 0.00 0.54 3.86 -1.94 -3.46 115.15 115.14 2kl2 h HIS 139 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2kl2 h HIS 139 Cb 0.22 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.36 2kl2 h HIS 139 CO 0.00 0.64 0.00 0.41 0.86 0.00 0.00 177.93 179.84 2kl2 n GLY 140 N -1.28 2.41 3.50 2.45 0.00 -1.26 -4.93 105.19 106.08 2kl2 n GLY 140 Ca 0.08 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2kl2 n GLY 140 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kl2 n LEU 141 N 0.00 1.76 -4.81 0.99 -0.00 -1.26 -4.92 117.00 108.76 2kl2 n LEU 141 Ca 0.00 -2.30 -0.22 0.00 -0.00 0.00 0.00 56.01 53.49 2kl2 n LEU 141 Cb 0.00 -1.26 -0.05 0.00 -0.00 0.00 0.00 43.42 42.11 2kl2 n LEU 141 CO 0.00 -2.52 -0.10 -0.13 -0.00 0.00 0.00 177.39 174.64 2kl2 s ARG 142 N 7.37 2.47 1.03 1.47 1.81 -1.26 -4.99 118.95 126.85 2kl2 s ARG 142 Ca 0.73 -1.55 -0.11 0.00 -1.72 0.00 0.00 55.73 53.08 2kl2 s ARG 142 Cb 0.04 -2.26 0.21 0.00 -0.45 0.00 0.00 34.95 32.49 2kl2 s ARG 142 CO 0.23 -0.04 1.09 -0.47 -0.68 0.00 0.00 175.30 175.43 2kl2 s TYR 143 N -2.45 1.44 -0.77 -0.53 5.04 -1.25 -4.69 117.35 114.14 2kl2 s TYR 143 Ca 0.43 1.54 0.03 0.00 -2.44 0.00 0.00 57.07 56.63 2kl2 s TYR 143 Cb -0.02 -3.24 0.29 0.00 0.35 0.00 0.00 41.96 39.34 2kl2 s TYR 143 CO 0.25 -3.35 1.07 0.27 -1.34 0.00 0.00 175.55 172.46 2kl2 n ASN 144 N -4.59 4.91 0.19 4.32 2.04 -1.18 -4.86 115.26 116.10 2kl2 n ASN 144 Ca 0.08 -3.52 0.14 0.00 -0.44 0.00 0.00 54.58 50.84 2kl2 n ASN 144 Cb 0.53 -0.83 0.43 0.00 -2.53 0.00 0.00 39.78 37.37 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 2kl2 h PRO 145 N 4.19 0.00 0.00 -0.53 0.13 -1.93 -3.39 132.00 130.48 2kl2 h PRO 145 Ca 0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 2kl2 h PRO 145 Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2kl2 h PRO 145 CO 0.98 0.00 -0.04 -2.13 -0.23 0.00 0.00 178.00 176.59 2kl2 n ARG 146 N -2.73 0.00 -0.08 0.86 0.63 -1.26 -4.78 116.66 109.29 2kl2 n ARG 146 Ca 0.03 -0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 56.72 2kl2 n ARG 146 Cb 0.39 0.11 -0.05 0.00 0.45 0.00 0.00 32.46 33.37 2kl2 n ARG 146 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2kl2 h GLU 147 N 0.00 0.42 0.00 -0.14 4.39 -1.91 -3.37 114.58 113.98 2kl2 h GLU 147 Ca -0.07 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2kl2 h GLU 147 Cb 0.67 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kl2 h GLU 147 CO -0.04 0.64 0.00 0.09 -1.16 0.00 0.00 179.01 178.54 2kl2 n ASN 148 N -4.62 0.60 0.00 1.42 3.02 -1.26 -5.19 115.26 109.23 2kl2 n ASN 148 Ca -0.04 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2kl2 n ASN 148 Cb 0.27 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50