#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 -0.69 0.03 3.04 0.00 -1.20 -5.02 121.76 117.92 2kl2 s ALA 2 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 2kl2 s ALA 2 Cb 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.08 2kl2 s ALA 2 CO 0.00 -1.86 1.63 -1.01 0.00 0.00 0.00 175.76 174.52 2kl2 s HIS 3 N 2.13 2.34 0.42 0.00 0.09 -1.26 -3.52 115.29 115.49 2kl2 s HIS 3 Ca 0.12 0.33 0.07 0.00 -0.00 0.00 0.00 55.06 55.58 2kl2 s HIS 3 Cb -0.14 -3.92 -0.07 0.00 -0.00 0.00 0.00 32.58 28.45 2kl2 s HIS 3 CO -0.23 -3.72 0.03 0.96 -0.00 0.00 0.00 174.74 171.78 2kl2 s ILE 4 N 3.00 1.98 0.00 0.60 -4.36 -0.28 -2.20 121.20 119.95 2kl2 s ILE 4 Ca 0.73 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 2kl2 s ILE 4 Cb -0.37 -2.94 -0.01 0.00 1.25 0.00 0.00 42.46 40.39 2kl2 s ILE 4 CO 0.31 0.00 -0.06 0.12 0.24 0.00 0.00 174.94 175.55 2kl2 s PHE 5 N -2.71 0.50 -0.10 1.37 5.36 -0.76 -1.47 117.98 120.18 2kl2 s PHE 5 Ca 0.34 -0.16 -0.10 0.00 -0.96 0.00 0.00 56.93 56.04 2kl2 s PHE 5 Cb 0.09 -0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 42.40 2kl2 s PHE 5 CO 0.18 -0.02 0.24 0.54 -1.46 0.00 0.00 175.22 174.69 2kl2 s VAL 6 N -0.35 5.34 -0.20 3.12 0.11 -0.77 -4.64 120.40 123.01 2kl2 s VAL 6 Ca -0.00 0.44 -0.15 0.00 -2.93 0.00 0.00 61.98 59.34 2kl2 s VAL 6 Cb -0.03 -3.53 -0.20 0.00 -1.53 0.00 0.00 36.38 31.09 2kl2 s VAL 6 CO -0.00 0.56 0.12 0.00 -3.33 0.00 0.00 175.10 172.45 2kl2 n TYR 7 N 2.26 0.83 -1.95 1.54 4.11 -1.26 -4.03 117.16 118.66 2kl2 n TYR 7 Ca -0.17 0.29 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 2kl2 n TYR 7 Cb 0.54 -1.09 0.00 0.00 -0.00 0.00 0.00 39.34 38.78 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kl2 n GLY 8 N 1.61 0.88 0.00 -7.48 0.00 -1.26 -4.26 105.19 94.68 2kl2 n GLY 8 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -3.21 2.61 -2.24 -1.26 -4.86 114.28 105.32 2kl2 n THR 9 Ca 0.00 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 2kl2 n THR 9 Cb 0.41 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.59 0.09 0.00 3.22 4.32 -1.26 -2.47 117.00 120.30 2kl2 n LEU 10 Ca 0.00 -4.65 0.00 0.00 -0.02 0.00 0.00 56.01 51.34 2kl2 n LEU 10 Cb 0.00 0.63 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 2kl2 n LEU 10 CO 0.00 2.05 0.00 1.17 -1.22 0.00 0.00 177.39 179.39 2kl2 n LYS 11 N 1.58 0.00 0.11 3.23 0.00 -1.26 -4.87 118.16 116.95 2kl2 n LYS 11 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.49 2kl2 n LYS 11 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.53 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kl2 h ARG 12 N 0.00 -0.27 0.00 1.64 2.47 -1.94 -3.47 114.38 112.81 2kl2 h ARG 12 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2kl2 h ARG 12 Cb 0.00 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2kl2 h ARG 12 CO 0.00 -0.18 0.00 0.41 0.56 0.00 0.00 179.97 180.76 2kl2 n GLY 13 N -0.55 -1.15 3.36 0.04 0.00 -1.26 -5.14 105.19 100.50 2kl2 n GLY 13 Ca -0.04 0.80 -0.18 0.00 0.00 0.00 0.00 46.02 46.60 2kl2 n GLY 13 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kl2 s GLN 14 N 0.00 1.40 -1.55 1.61 0.00 -1.26 -4.80 119.66 115.06 2kl2 s GLN 14 Ca 0.00 -1.71 -0.10 0.00 -0.00 0.00 0.00 55.36 53.55 2kl2 s GLN 14 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 33.01 32.19 2kl2 s GLN 14 CO 0.00 -0.05 2.75 -0.35 0.00 0.00 0.00 175.29 177.64 2kl2 n PRO 15 N -0.47 3.70 0.00 9.60 -0.04 -1.26 -1.53 135.00 145.00 2kl2 n PRO 15 Ca -0.05 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 2kl2 n PRO 15 Cb 0.64 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 2kl2 n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2kl2 n ASN 16 N 3.71 0.00 -0.08 3.54 2.04 -1.26 -4.90 115.26 118.30 2kl2 n ASN 16 Ca 0.72 -0.10 -0.11 0.00 -0.44 0.00 0.00 54.58 54.64 2kl2 n ASN 16 Cb 0.26 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.47 2kl2 n ASN 16 CO 0.00 0.00 0.00 -0.74 -0.44 0.00 0.00 177.26 176.08 2kl2 h HIS 17 N 0.00 0.46 -0.50 -2.53 2.76 -0.95 -3.27 115.15 111.12 2kl2 h HIS 17 Ca 0.00 -0.07 0.15 0.00 -2.20 0.00 0.00 60.37 58.24 2kl2 h HIS 17 Cb 0.05 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2kl2 h HIS 17 CO 0.00 0.57 0.45 1.57 -1.30 0.00 0.00 177.93 179.22 2kl2 h LYS 18 N 0.21 0.00 -0.83 5.26 -0.00 -1.90 -2.24 116.57 117.08 2kl2 h LYS 18 Ca 0.07 0.00 0.14 0.00 -0.00 0.00 0.00 60.65 60.86 2kl2 h LYS 18 Cb 0.38 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 32.52 2kl2 h LYS 18 CO 0.01 0.00 0.42 -0.39 -0.00 0.00 0.00 179.45 179.49 2kl2 h VAL 19 N 0.00 0.75 -0.08 0.07 -1.51 -1.98 -1.21 116.25 112.30 2kl2 h VAL 19 Ca 0.24 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 2kl2 h VAL 19 Cb 1.14 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2kl2 h VAL 19 CO -0.00 0.11 0.00 1.15 -1.23 0.00 0.00 177.57 177.60 2kl2 n MET 20 N -4.87 1.20 -0.00 5.19 0.00 -0.84 -3.31 117.12 114.49 2kl2 n MET 20 Ca 0.16 -0.31 0.01 0.00 0.00 0.00 0.00 57.70 57.55 2kl2 n MET 20 Cb 0.40 -1.14 0.01 0.00 0.00 0.00 0.00 33.22 32.49 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 -0.31 1.29 0.00 3.17 4.77 -0.46 -4.50 117.00 120.96 2kl2 n LEU 21 Ca 0.06 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 2kl2 n LEU 21 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2kl2 n LEU 21 CO 0.05 0.31 0.31 0.47 -1.33 0.00 0.00 177.39 177.19 2kl2 n ASP 22 N 0.01 1.09 -1.98 -1.43 8.00 -1.21 -5.03 116.55 116.01 2kl2 n ASP 22 Ca 0.01 -1.36 -0.02 0.00 0.71 0.00 0.00 54.79 54.12 2kl2 n ASP 22 Cb 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2kl2 n ASP 22 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kl2 n HIS 23 N -0.18 -1.54 -0.10 1.24 -0.00 -1.26 -4.73 115.22 108.65 2kl2 n HIS 23 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2kl2 n HIS 23 Cb 0.19 -1.31 -0.14 0.00 -0.00 0.00 0.00 29.99 28.74 2kl2 n HIS 23 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kl2 n SER 24 N -0.74 0.76 0.11 0.26 2.88 -1.26 -4.51 113.62 111.12 2kl2 n SER 24 Ca -0.03 -0.03 -0.17 0.00 -1.33 0.00 0.00 58.87 57.32 2kl2 n SER 24 Cb 0.36 0.63 -0.14 0.00 -0.75 0.00 0.00 64.21 64.31 2kl2 n SER 24 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2kl2 h HIS 25 N 0.00 0.53 0.00 0.66 3.86 -1.85 -3.50 115.15 114.85 2kl2 h HIS 25 Ca -0.52 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.30 2kl2 h HIS 25 Cb 2.09 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.54 2kl2 h HIS 25 CO 0.01 1.30 0.00 0.41 0.86 0.00 0.00 177.93 180.51 2kl2 n GLY 26 N 1.55 -2.03 3.75 2.45 0.00 -1.26 -4.16 105.19 105.50 2kl2 n GLY 26 Ca -0.09 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 4.25 0.11 0.99 1.98 -1.26 -4.31 118.68 120.44 2kl2 s LEU 27 Ca 0.00 0.37 0.04 0.00 -2.89 0.00 0.00 54.13 51.64 2kl2 s LEU 27 Cb 0.00 -2.19 -0.04 0.00 0.66 0.00 0.00 46.19 44.62 2kl2 s LEU 27 CO 0.00 0.19 -0.10 0.00 -1.89 0.00 0.00 176.35 174.55 2kl2 s ALA 28 N 0.16 1.19 -0.02 5.97 0.00 -1.26 -1.67 121.76 126.14 2kl2 s ALA 28 Ca 0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 2kl2 s ALA 28 Cb -0.12 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2kl2 s ALA 28 CO 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 175.76 175.74 2kl2 s ALA 29 N -2.76 -0.08 -0.39 0.00 0.00 -0.18 -4.98 121.76 113.37 2kl2 s ALA 29 Ca 0.09 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 2kl2 s ALA 29 Cb -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2kl2 s ALA 29 CO -0.00 -0.03 2.26 0.12 0.00 0.00 0.00 175.76 178.11 2kl2 s PHE 30 N 0.11 1.20 -0.74 0.00 5.36 -1.26 -2.18 117.98 120.47 2kl2 s PHE 30 Ca -0.01 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.06 2kl2 s PHE 30 Cb -0.01 -3.79 0.30 0.00 -0.34 0.00 0.00 43.02 39.18 2kl2 s PHE 30 CO -0.00 -3.13 1.07 -2.13 -1.46 0.00 0.00 175.22 169.57 2kl2 n ARG 31 N 8.89 3.47 0.00 10.12 3.00 -0.35 -4.86 116.66 136.93 2kl2 n ARG 31 Ca 0.32 -4.73 0.00 0.00 -0.00 0.00 0.00 57.85 53.44 2kl2 n ARG 31 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.64 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 0.41 -0.74 3.64 5.14 0.00 -1.26 -4.39 105.19 107.99 2kl2 n GLY 32 Ca 0.32 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.38 1.99 -0.05 1.61 1.70 -0.18 -2.38 118.95 120.26 2kl2 s ARG 33 Ca 0.00 -2.16 -0.30 0.00 -0.47 0.00 0.00 55.73 52.80 2kl2 s ARG 33 Cb 0.00 -1.56 0.10 0.00 -0.57 0.00 0.00 34.95 32.92 2kl2 s ARG 33 CO 0.00 -0.13 1.33 0.20 -1.08 0.00 0.00 175.30 175.62 2kl2 s GLY 34 N -3.73 -0.19 0.14 3.88 0.00 -1.25 -0.63 107.32 105.54 2kl2 s GLY 34 Ca 0.29 0.15 -0.08 0.00 0.00 0.00 0.00 44.72 45.08 2kl2 s GLY 34 CO 0.15 5.68 0.23 0.00 0.00 0.00 0.00 173.10 179.16 2kl2 s THR 36 N -3.95 4.36 0.46 0.00 -4.23 -0.04 -0.19 115.64 112.05 2kl2 s THR 36 Ca 0.15 0.05 0.35 0.00 -1.18 0.00 0.00 61.69 61.06 2kl2 s THR 36 Cb 0.04 -4.59 0.37 0.00 1.34 0.00 0.00 72.50 69.66 2kl2 s THR 36 CO -0.03 -1.24 2.18 -0.37 -0.54 0.00 0.00 174.62 174.62 2kl2 h VAL 37 N 6.00 0.26 -2.48 2.29 -1.51 -1.90 -3.24 116.25 115.68 2kl2 h VAL 37 Ca -0.27 -0.29 -0.56 0.00 -1.23 0.00 0.00 66.70 64.35 2kl2 h VAL 37 Cb 1.07 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2kl2 h VAL 37 CO 1.12 0.04 1.22 -1.61 -1.23 0.00 0.00 177.57 177.11 2kl2 s GLU 38 N -4.13 3.84 0.15 5.19 2.02 -1.26 -4.86 118.70 119.65 2kl2 s GLU 38 Ca -0.03 2.10 -0.34 0.00 0.02 0.00 0.00 54.97 56.72 2kl2 s GLU 38 Cb 0.12 -4.13 -0.14 0.00 0.10 0.00 0.00 34.13 30.09 2kl2 s GLU 38 CO 0.51 -1.27 1.58 0.43 0.02 0.00 0.00 175.26 176.54 2kl2 n SER 39 N 8.55 3.05 -4.09 -0.19 7.64 -1.26 -4.41 113.62 122.91 2kl2 n SER 39 Ca 0.21 1.08 -0.08 0.00 1.01 0.00 0.00 58.87 61.09 2kl2 n SER 39 Cb 0.44 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 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 1.01 0.57 -1.21 1.43 0.08 0.19 -0.27 117.98 119.78 2kl2 s PHE 40 Ca 0.79 -0.95 -0.20 0.00 0.12 0.00 0.00 56.93 56.69 2kl2 s PHE 40 Cb -0.69 -0.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 2kl2 s PHE 40 CO 0.39 -0.30 1.78 -1.25 -0.10 0.00 0.00 175.22 175.74 2kl2 s PRO 41 N -3.50 3.39 -0.46 0.24 0.04 -0.73 -1.41 135.00 132.57 2kl2 s PRO 41 Ca 0.04 -1.54 -0.29 0.00 0.04 0.00 0.00 61.00 59.26 2kl2 s PRO 41 Cb 0.04 -5.40 0.03 0.00 0.04 0.00 0.00 34.50 29.21 2kl2 s PRO 41 CO -0.07 -2.87 1.11 -1.17 0.04 0.00 0.00 177.00 174.04 2kl2 s LEU 42 N 6.82 3.70 -0.08 -3.56 0.20 -1.26 -2.00 118.68 122.49 2kl2 s LEU 42 Ca 0.59 0.52 0.02 0.00 0.69 0.00 0.00 54.13 55.95 2kl2 s LEU 42 Cb 0.01 -3.52 0.01 0.00 -0.43 0.00 0.00 46.19 42.27 2kl2 s LEU 42 CO 0.07 -1.19 -0.13 0.68 -0.29 0.00 0.00 176.35 175.50 2kl2 s VAL 43 N 4.30 1.22 -0.56 1.68 -7.23 -0.27 -2.48 120.40 117.06 2kl2 s VAL 43 Ca 0.47 -0.50 -0.25 0.00 -1.81 0.00 0.00 61.98 59.88 2kl2 s VAL 43 Cb -0.08 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.77 2kl2 s VAL 43 CO 0.29 0.38 1.00 -0.63 -0.31 0.00 0.00 175.10 175.83 2kl2 s ILE 44 N 0.84 4.30 -0.02 -0.62 1.01 -1.26 -0.68 121.20 124.77 2kl2 s ILE 44 Ca -0.11 0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2kl2 s ILE 44 Cb -0.15 -4.59 0.02 0.00 0.01 0.00 0.00 42.46 37.75 2kl2 s ILE 44 CO 0.02 -1.19 0.01 0.00 0.00 0.00 0.00 174.94 173.77 2kl2 s ALA 45 N 4.18 0.24 0.00 9.38 0.00 -1.26 -4.98 121.76 129.33 2kl2 s ALA 45 Ca 0.33 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2kl2 s ALA 45 Cb -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2kl2 s ALA 45 CO 0.20 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2kl2 n GLY 46 N 4.04 1.69 0.25 0.00 0.00 -1.26 -4.39 105.19 105.51 2kl2 n GLY 46 Ca -0.26 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 43.91 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kl2 n GLU 47 N 1.82 0.74 -0.07 1.61 4.07 -1.26 -2.93 120.64 124.62 2kl2 n GLU 47 Ca 0.00 -0.50 0.06 0.00 -0.06 0.00 0.00 57.16 56.66 2kl2 n GLU 47 Cb 0.00 -1.49 0.09 0.00 -0.06 0.00 0.00 31.44 29.98 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kl2 n HIS 48 N -0.70 0.00 -3.27 4.31 8.25 -1.26 -5.01 115.22 117.55 2kl2 n HIS 48 Ca 0.10 -0.78 -0.15 0.00 -0.26 0.00 0.00 57.72 56.63 2kl2 n HIS 48 Cb 0.37 -0.11 0.07 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.06 -5.11 -4.24 0.41 4.13 -1.15 -1.91 115.26 106.34 2kl2 n ASN 49 Ca 0.10 -0.67 -0.43 0.00 1.68 0.00 0.00 54.58 55.27 2kl2 n ASN 49 Cb 0.52 -5.09 -0.04 0.00 -1.54 0.00 0.00 39.78 33.63 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 -3.37 5.04 0.88 2.41 1.01 -1.26 -3.76 121.20 122.15 2kl2 s ILE 50 Ca 0.31 -2.95 -0.10 0.00 0.00 0.00 0.00 60.65 57.90 2kl2 s ILE 50 Cb -0.04 -4.13 0.13 0.00 0.01 0.00 0.00 42.46 38.43 2kl2 s ILE 50 CO 0.72 -1.03 1.13 -2.16 0.00 0.00 0.00 174.94 173.60 2kl2 s PRO 51 N -0.35 1.30 -0.02 2.79 0.04 -1.26 -3.99 135.00 133.50 2kl2 s PRO 51 Ca 0.21 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.71 2kl2 s PRO 51 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2kl2 s PRO 51 CO -0.08 -2.39 -0.16 -1.58 0.04 0.00 0.00 177.00 172.83 2kl2 s TRP 52 N -2.72 1.50 -0.46 0.56 0.52 0.15 -4.92 118.94 113.57 2kl2 s TRP 52 Ca 0.65 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 56.39 2kl2 s TRP 52 Cb -0.21 -0.99 0.12 0.00 -1.15 0.00 0.00 33.47 31.24 2kl2 s TRP 52 CO 0.58 -0.08 0.27 -1.17 0.02 0.00 0.00 176.95 176.56 2kl2 s LEU 53 N -0.19 5.31 0.38 2.99 0.20 -1.26 -1.11 118.68 124.99 2kl2 s LEU 53 Ca 0.02 -2.17 -0.22 0.00 0.69 0.00 0.00 54.13 52.44 2kl2 s LEU 53 Cb -0.08 -1.86 -0.10 0.00 -0.43 0.00 0.00 46.19 43.72 2kl2 s LEU 53 CO 0.00 -0.53 0.93 -0.76 -0.29 0.00 0.00 176.35 175.70 2kl2 s LEU 54 N 0.94 4.10 -1.23 -0.68 1.43 -0.85 -1.67 118.68 120.73 2kl2 s LEU 54 Ca 0.10 1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.73 2kl2 s LEU 54 Cb -0.23 -4.29 0.10 0.00 0.03 0.00 0.00 46.19 41.80 2kl2 s LEU 54 CO -0.04 -0.23 1.60 -0.47 0.23 0.00 0.00 176.35 177.44 2kl2 s TYR 55 N -1.94 3.00 -0.43 0.29 5.04 -0.52 -4.27 117.35 118.51 2kl2 s TYR 55 Ca 0.57 -1.71 0.03 0.00 -2.44 0.00 0.00 57.07 53.51 2kl2 s TYR 55 Cb -0.13 -4.60 0.15 0.00 0.35 0.00 0.00 41.96 37.74 2kl2 s TYR 55 CO 0.17 -1.68 0.30 -1.17 -1.34 0.00 0.00 175.55 171.83 2kl2 s LEU 56 N 3.41 1.93 0.29 6.97 1.98 -1.26 -5.01 118.68 126.98 2kl2 s LEU 56 Ca 0.49 -2.82 -0.30 0.00 -2.89 0.00 0.00 54.13 48.62 2kl2 s LEU 56 Cb 0.01 -0.68 -0.11 0.00 0.66 0.00 0.00 46.19 46.08 2kl2 s LEU 56 CO 0.03 -0.22 1.48 -2.16 -1.89 0.00 0.00 176.35 173.59 2kl2 s PRO 57 N 0.24 4.21 0.00 0.98 0.04 -1.26 -2.90 135.00 136.31 2kl2 s PRO 57 Ca 0.25 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2kl2 s PRO 57 Cb -0.10 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2kl2 s PRO 57 CO -0.09 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2kl2 n GLY 58 N 1.83 0.49 3.02 0.56 0.00 0.62 -4.98 105.19 106.73 2kl2 n GLY 58 Ca 0.06 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.71 1.92 0.73 1.61 2.20 -1.14 -4.94 119.74 119.41 2kl2 s LYS 59 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2kl2 s LYS 59 Cb 0.00 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 2kl2 s LYS 59 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2kl2 n GLY 60 N 4.24 0.91 3.22 5.54 0.00 -1.26 -1.78 105.19 116.06 2kl2 n GLY 60 Ca -0.19 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 1.11 -0.20 1.61 3.76 -0.50 -4.48 115.29 116.60 2kl2 s HIS 61 Ca 0.00 -0.88 -0.29 0.00 -0.15 0.00 0.00 55.06 53.74 2kl2 s HIS 61 Cb 0.00 -0.61 -0.02 0.00 1.11 0.00 0.00 32.58 33.06 2kl2 s HIS 61 CO 0.00 -0.07 1.44 0.00 -0.85 0.00 0.00 174.74 175.26 2kl2 s VAL 63 N 4.32 4.50 0.41 0.00 1.01 -1.22 -4.42 120.40 125.00 2kl2 s VAL 63 Ca 0.63 0.77 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 2kl2 s VAL 63 Cb -0.23 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 2kl2 s VAL 63 CO 0.23 -0.79 1.00 0.42 0.00 0.00 0.00 175.10 175.97 2kl2 s THR 64 N 3.67 3.99 0.00 3.92 -4.23 0.39 -0.86 115.64 122.53 2kl2 s THR 64 Ca 0.36 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.30 2kl2 s THR 64 Cb -0.10 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2kl2 s THR 64 CO 0.25 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 2kl2 n GLY 65 N 0.03 2.67 3.25 3.99 0.00 -0.89 -4.73 105.19 109.52 2kl2 n GLY 65 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 1.96 0.95 -0.16 1.61 2.02 -1.26 -3.84 118.70 119.99 2kl2 s GLU 66 Ca 0.00 -0.95 -0.07 0.00 0.02 0.00 0.00 54.97 53.97 2kl2 s GLU 66 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 2kl2 s GLU 66 CO 0.00 -0.33 0.09 0.42 0.02 0.00 0.00 175.26 175.46 2kl2 s ILE 67 N -3.87 5.07 -0.15 -1.63 1.01 -1.00 -1.85 121.20 118.78 2kl2 s ILE 67 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2kl2 s ILE 67 Cb 0.04 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.28 2kl2 s ILE 67 CO -0.09 0.52 -0.12 -0.31 0.00 0.00 0.00 174.94 174.94 2kl2 s TYR 68 N -0.20 2.00 -0.21 3.97 2.02 -0.54 -1.21 117.35 123.18 2kl2 s TYR 68 Ca 0.09 -1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 55.36 2kl2 s TYR 68 Cb -0.12 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2kl2 s TYR 68 CO 0.01 -0.64 1.30 -2.00 -1.57 0.00 0.00 175.55 172.65 2kl2 s GLU 69 N 1.54 4.10 0.12 -0.62 2.56 -0.93 -1.12 118.70 124.35 2kl2 s GLU 69 Ca 0.04 1.53 0.09 0.00 0.00 0.00 0.00 54.97 56.63 2kl2 s GLU 69 Cb -0.13 -3.82 -0.04 0.00 2.00 0.00 0.00 34.13 32.14 2kl2 s GLU 69 CO -0.10 -0.88 -0.23 0.14 -0.56 0.00 0.00 175.26 173.64 2kl2 s VAL 70 N 3.88 1.92 0.48 3.70 -7.23 -1.23 -1.01 120.40 120.92 2kl2 s VAL 70 Ca 0.56 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2kl2 s VAL 70 Cb -0.20 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.00 2kl2 s VAL 70 CO 0.18 -0.03 0.71 -1.81 -0.31 0.00 0.00 175.10 173.85 2kl2 s ASP 71 N -2.03 5.69 0.54 4.85 1.11 -0.67 -0.38 116.67 125.78 2kl2 s ASP 71 Ca 0.10 0.25 0.30 0.00 0.18 0.00 0.00 52.55 53.38 2kl2 s ASP 71 Cb -0.10 -1.40 1.46 0.00 1.07 0.00 0.00 42.92 43.96 2kl2 s ASP 71 CO 0.05 -0.82 1.92 -0.33 1.18 0.00 0.00 175.17 177.16 2kl2 h GLU 72 N 0.29 0.00 -0.37 8.23 4.39 -1.98 0.40 114.58 125.54 2kl2 h GLU 72 Ca -0.45 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.15 2kl2 h GLU 72 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2kl2 h GLU 72 CO 0.56 0.00 -0.16 0.37 -1.16 0.00 0.00 179.01 178.62 2kl2 h GLN 73 N 0.00 0.77 -0.09 2.33 5.75 -1.92 -1.29 115.11 120.65 2kl2 h GLN 73 Ca 0.38 -0.33 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2kl2 h GLN 73 Cb 1.53 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 30.06 2kl2 h GLN 73 CO -0.00 0.94 -0.21 1.98 -2.65 0.00 0.00 178.83 178.89 2kl2 h MET 74 N 0.56 0.30 0.00 1.69 4.05 -1.10 -1.76 114.93 118.67 2kl2 h MET 74 Ca 0.09 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 2kl2 h MET 74 Cb 0.70 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2kl2 h MET 74 CO 0.05 0.81 -0.05 1.25 0.23 0.00 0.00 176.91 179.20 2kl2 h LEU 75 N -0.16 0.00 -0.03 3.39 6.46 -1.39 -0.36 115.31 123.22 2kl2 h LEU 75 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2kl2 h LEU 75 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2kl2 h LEU 75 CO 0.05 0.05 -0.18 0.03 -0.62 0.00 0.00 178.44 177.77 2kl2 h ARG 76 N 0.00 0.17 -0.42 1.25 3.08 -1.14 -2.92 114.38 114.41 2kl2 h ARG 76 Ca -0.00 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 59.96 2kl2 h ARG 76 Cb 0.12 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 2kl2 h ARG 76 CO 0.01 0.82 0.12 0.35 -1.07 0.00 0.00 179.97 180.20 2kl2 h PHE 77 N -0.43 0.21 0.00 3.04 3.57 -0.59 -0.32 116.94 122.43 2kl2 h PHE 77 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2kl2 h PHE 77 Cb 0.86 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2kl2 h PHE 77 CO 0.15 0.07 0.00 -0.07 -2.23 0.00 0.00 178.31 176.23 2kl2 h LEU 78 N 0.27 0.00 -0.19 0.59 4.07 -1.19 0.30 115.31 119.16 2kl2 h LEU 78 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2kl2 h LEU 78 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2kl2 h LEU 78 CO -0.22 0.00 -0.13 -0.67 -1.08 0.00 0.00 178.44 176.34 2kl2 n ASP 79 N -2.74 0.42 0.00 -0.43 2.03 -0.14 -4.11 116.55 111.58 2kl2 n ASP 79 Ca -0.02 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 54.84 2kl2 n ASP 79 Cb 0.09 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kl2 n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kl2 n ASP 80 N -1.04 3.35 -0.11 1.67 2.03 -0.42 -4.28 116.55 117.74 2kl2 n ASP 80 Ca 0.13 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.37 2kl2 n ASP 80 Cb 0.29 0.20 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kl2 h PHE 81 N 0.00 0.36 -0.06 -0.67 3.57 -1.18 -3.01 116.94 115.95 2kl2 h PHE 81 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2kl2 h PHE 81 Cb 0.74 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2kl2 h PHE 81 CO 0.00 0.20 0.00 0.39 -2.23 0.00 0.00 178.31 176.67 2kl2 n GLU 82 N -4.92 1.28 -1.88 1.11 -0.58 -1.26 -4.90 120.64 109.49 2kl2 n GLU 82 Ca 0.01 -0.42 -0.05 0.00 -0.42 0.00 0.00 57.16 56.28 2kl2 n GLU 82 Cb 0.08 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 2kl2 n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kl2 n ASP 83 N -0.36 -1.85 -4.61 1.62 2.03 -1.14 -4.10 116.55 108.14 2kl2 n ASP 83 Ca 0.14 0.26 -0.35 0.00 0.52 0.00 0.00 54.79 55.37 2kl2 n ASP 83 Cb 0.16 -1.81 0.10 0.00 -0.72 0.00 0.00 41.12 38.86 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kl2 n PRO 85 N -2.31 0.39 0.05 0.00 -0.04 -1.26 -4.61 135.00 127.23 2kl2 n PRO 85 Ca 0.12 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2kl2 n PRO 85 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2kl2 n PRO 85 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kl2 h SER 86 N 0.00 -0.12 0.20 3.54 0.87 -1.56 -3.41 113.55 113.07 2kl2 h SER 86 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2kl2 h SER 86 Cb 0.16 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2kl2 h SER 86 CO 0.00 -0.08 -0.09 0.24 -0.53 0.00 0.00 176.83 176.37 2kl2 h MET 87 N -0.15 -0.25 -6.27 2.24 2.86 -1.33 -3.47 114.93 108.55 2kl2 h MET 87 Ca -0.01 0.02 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 2kl2 h MET 87 Cb 0.11 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2kl2 h MET 87 CO 0.02 -0.17 -0.23 0.71 1.06 0.00 0.00 176.91 178.30 2kl2 s TYR 88 N -2.48 1.76 -0.00 -0.22 1.51 -1.26 -4.90 117.35 111.76 2kl2 s TYR 88 Ca -0.04 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 2kl2 s TYR 88 Cb 0.00 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2kl2 s TYR 88 CO 0.12 -0.69 -0.00 -0.65 -1.11 0.00 0.00 175.55 173.22 2kl2 s GLN 89 N -4.41 0.03 0.01 -0.62 1.11 0.09 -4.20 119.66 111.67 2kl2 s GLN 89 Ca 0.48 -0.00 -0.30 0.00 0.01 0.00 0.00 55.36 55.55 2kl2 s GLN 89 Cb -0.04 -0.05 -0.04 0.00 -1.01 0.00 0.00 33.01 31.87 2kl2 s GLN 89 CO 0.30 -0.00 1.02 0.50 0.01 0.00 0.00 175.29 177.12 2kl2 s ARG 90 N 0.07 4.54 0.14 2.91 3.00 -1.26 -0.76 118.95 127.58 2kl2 s ARG 90 Ca -0.01 1.49 0.02 0.00 -1.00 0.00 0.00 55.73 56.23 2kl2 s ARG 90 Cb -0.01 -3.44 -0.04 0.00 0.00 0.00 0.00 34.95 31.46 2kl2 s ARG 90 CO -0.00 -0.09 -0.02 0.99 0.00 0.00 0.00 175.30 176.18 2kl2 s THR 91 N 1.00 0.65 -0.16 4.11 2.01 0.03 -4.94 115.64 118.34 2kl2 s THR 91 Ca 0.53 -1.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 2kl2 s THR 91 Cb -0.23 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2kl2 s THR 91 CO 0.28 -0.62 0.21 0.00 -0.69 0.00 0.00 174.62 173.80 2kl2 s ALA 92 N -3.67 3.69 0.23 7.40 0.00 -1.26 -1.48 121.76 126.66 2kl2 s ALA 92 Ca 0.20 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2kl2 s ALA 92 Cb 0.06 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.96 2kl2 s ALA 92 CO 0.01 0.24 0.33 1.47 0.00 0.00 0.00 175.76 177.81 2kl2 n LEU 93 N 3.14 0.00 -4.67 0.00 -0.00 -0.99 -4.98 117.00 109.50 2kl2 n LEU 93 Ca -0.15 -1.83 -0.35 0.00 -0.00 0.00 0.00 56.01 53.68 2kl2 n LEU 93 Cb 0.53 1.70 -0.09 0.00 -0.00 0.00 0.00 43.42 45.55 2kl2 n LEU 93 CO 0.37 -0.43 -0.27 -1.58 -0.00 0.00 0.00 177.39 175.47 2kl2 s GLN 94 N -2.48 3.47 -0.05 1.47 2.00 -1.26 -2.80 119.66 120.01 2kl2 s GLN 94 Ca 0.18 -0.36 0.01 0.00 -2.00 0.00 0.00 55.36 53.19 2kl2 s GLN 94 Cb -0.01 -3.01 0.02 0.00 0.80 0.00 0.00 33.01 30.82 2kl2 s GLN 94 CO 0.13 0.51 -0.04 0.08 -0.50 0.00 0.00 175.29 175.48 2kl2 s VAL 95 N -0.33 0.50 -0.06 1.34 1.01 -0.40 -4.42 120.40 118.04 2kl2 s VAL 95 Ca 0.08 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2kl2 s VAL 95 Cb -0.12 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2kl2 s VAL 95 CO 0.02 0.22 1.51 -1.58 0.00 0.00 0.00 175.10 175.27 2kl2 s GLN 96 N 1.01 4.22 -0.01 2.72 0.74 0.73 -0.08 119.66 128.99 2kl2 s GLN 96 Ca -0.10 2.02 -0.30 0.00 0.05 0.00 0.00 55.36 57.04 2kl2 s GLN 96 Cb -0.14 -3.82 -0.07 0.00 1.10 0.00 0.00 33.01 30.07 2kl2 s GLN 96 CO -0.01 -0.75 1.85 0.54 -0.55 0.00 0.00 175.29 176.38 2kl2 s VAL 97 N 3.47 3.25 0.01 1.34 0.11 -1.14 -2.02 120.40 125.42 2kl2 s VAL 97 Ca 0.67 0.30 0.06 0.00 -2.93 0.00 0.00 61.98 60.08 2kl2 s VAL 97 Cb -0.30 -3.20 -0.24 0.00 -1.53 0.00 0.00 36.38 31.11 2kl2 s VAL 97 CO 0.25 -0.03 0.85 -0.07 -3.33 0.00 0.00 175.10 172.77 2kl2 h LEU 98 N 10.68 0.12 -7.08 2.54 -0.00 -1.19 -3.45 115.31 116.92 2kl2 h LEU 98 Ca -0.45 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.88 57.18 2kl2 h LEU 98 Cb 1.21 -0.04 -0.20 0.00 -0.00 0.00 0.00 40.66 41.64 2kl2 h LEU 98 CO 0.95 1.16 0.10 -0.70 -0.00 0.00 0.00 178.44 179.95 2kl2 s GLU 99 N -2.63 0.94 0.00 1.13 2.12 -1.17 -4.94 118.70 114.15 2kl2 s GLU 99 Ca -0.05 0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.72 2kl2 s GLU 99 Cb 0.08 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.90 2kl2 s GLU 99 CO 0.83 -0.25 -0.20 -0.46 -0.54 0.00 0.00 175.26 174.64 2kl2 s TRP 100 N -0.80 1.79 -0.44 5.30 -0.11 -1.26 -1.01 118.94 122.41 2kl2 s TRP 100 Ca -0.08 -0.35 -0.11 0.00 1.22 0.00 0.00 56.10 56.77 2kl2 s TRP 100 Cb -0.02 -1.13 0.08 0.00 -1.50 0.00 0.00 33.47 30.90 2kl2 s TRP 100 CO 0.07 0.00 0.31 -1.21 -4.62 0.00 0.00 176.95 171.51 2kl2 s GLU 101 N -0.66 2.73 0.00 5.86 0.41 -1.26 -4.77 118.70 121.01 2kl2 s GLU 101 Ca 0.08 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 53.19 2kl2 s GLU 101 Cb -0.08 -3.92 0.00 0.00 -1.78 0.00 0.00 34.13 28.35 2kl2 s GLU 101 CO -0.00 -1.00 0.00 0.41 -0.49 0.00 0.00 175.26 174.18 2kl2 n GLY 102 N 5.02 -1.12 3.85 -1.39 0.00 -1.26 -4.70 105.19 105.60 2kl2 n GLY 102 Ca -0.11 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 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 -4.00 5.77 0.00 1.61 2.15 -1.26 -4.65 116.67 116.29 2kl2 s ASP 103 Ca 0.00 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.40 2kl2 s ASP 103 Cb 0.00 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2kl2 s ASP 103 CO 0.00 -1.17 0.00 0.61 -0.17 0.00 0.00 175.17 174.44 2kl2 n GLY 104 N -2.55 0.45 3.29 2.66 0.00 -1.26 -5.04 105.19 102.75 2kl2 n GLY 104 Ca 0.07 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.48 6.57 0.00 1.61 2.15 -1.26 -4.96 116.67 118.29 2kl2 s ASP 105 Ca 0.00 -2.80 0.10 0.00 0.43 0.00 0.00 52.55 50.28 2kl2 s ASP 105 Cb 0.00 -2.15 0.57 0.00 -0.30 0.00 0.00 42.92 41.03 2kl2 s ASP 105 CO 0.00 -0.52 1.06 -0.81 -0.17 0.00 0.00 175.17 174.74 2kl2 n PRO 106 N 3.78 0.27 0.00 4.34 -0.04 -1.26 -4.99 135.00 137.10 2kl2 n PRO 106 Ca 0.14 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kl2 n PRO 106 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.40 -0.59 0.00 0.55 0.00 -1.26 -4.74 105.19 98.74 2kl2 n GLY 107 Ca 0.07 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.45 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl2 n ASP 108 N -1.27 0.00 -4.03 1.61 9.92 -1.26 -4.05 116.55 117.46 2kl2 n ASP 108 Ca 0.00 -0.41 -0.17 0.00 -0.53 0.00 0.00 54.79 53.67 2kl2 n ASP 108 Cb 0.00 -0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.28 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kl2 s SER 109 N -2.13 1.03 0.15 -2.24 1.04 -1.26 -2.87 113.70 107.42 2kl2 s SER 109 Ca 0.24 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2kl2 s SER 109 Cb 0.12 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 2kl2 s SER 109 CO 0.21 0.05 0.10 0.54 0.98 0.00 0.00 173.24 175.12 2kl2 s VAL 110 N -0.45 4.34 -0.40 5.02 0.11 0.89 -4.87 120.40 125.04 2kl2 s VAL 110 Ca 0.01 -1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 57.76 2kl2 s VAL 110 Cb -0.05 -3.18 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 2kl2 s VAL 110 CO 0.00 -0.06 0.70 -1.58 -3.33 0.00 0.00 175.10 170.84 2kl2 s GLN 111 N -2.91 3.53 0.52 1.54 -0.44 -1.26 -1.27 119.66 119.38 2kl2 s GLN 111 Ca 0.30 -0.03 0.08 0.00 -2.50 0.00 0.00 55.36 53.21 2kl2 s GLN 111 Cb -0.10 -3.87 0.05 0.00 -1.64 0.00 0.00 33.01 27.44 2kl2 s GLN 111 CO 0.22 -0.92 0.62 0.00 0.50 0.00 0.00 175.29 175.71 2kl2 s PHE 113 N -2.61 3.60 0.04 0.00 0.08 -0.93 -2.34 117.98 115.81 2kl2 s PHE 113 Ca 0.53 0.82 0.02 0.00 0.12 0.00 0.00 56.93 58.43 2kl2 s PHE 113 Cb -0.05 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2kl2 s PHE 113 CO 0.33 0.52 -0.08 0.08 -0.10 0.00 0.00 175.22 175.97 2kl2 s VAL 114 N -1.38 0.54 -0.25 -0.44 1.01 -0.55 -1.84 120.40 117.49 2kl2 s VAL 114 Ca 0.33 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2kl2 s VAL 114 Cb -0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2kl2 s VAL 114 CO 0.18 -0.40 0.68 -0.31 0.00 0.00 0.00 175.10 175.25 2kl2 s TYR 115 N -1.45 3.28 0.00 5.22 1.51 -1.26 -0.79 117.35 123.86 2kl2 s TYR 115 Ca -0.09 0.89 0.00 0.00 -1.01 0.00 0.00 57.07 56.86 2kl2 s TYR 115 Cb -0.10 -2.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.85 2kl2 s TYR 115 CO 0.00 -0.36 0.00 0.25 -1.11 0.00 0.00 175.55 174.34 2kl2 n THR 116 N 5.23 0.00 -3.85 -0.71 -2.24 0.06 -4.73 114.28 108.03 2kl2 n THR 116 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2kl2 n THR 116 Cb 0.49 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 2kl2 n THR 116 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kl2 s THR 117 N -1.06 0.05 -0.42 4.28 -1.32 -0.67 -0.73 115.64 115.77 2kl2 s THR 117 Ca 0.00 -0.45 0.08 0.00 -1.21 0.00 0.00 61.69 60.11 2kl2 s THR 117 Cb 0.00 -0.38 -0.07 0.00 -1.51 0.00 0.00 72.50 70.54 2kl2 s THR 117 CO 0.00 -0.25 0.36 0.00 -2.21 0.00 0.00 174.62 172.53 2kl2 n ALA 118 N 1.96 2.93 -0.62 11.08 0.00 -1.26 -1.44 120.51 133.15 2kl2 n ALA 118 Ca -0.19 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.08 2kl2 n ALA 118 Cb 0.57 -0.27 0.36 0.00 0.00 0.00 0.00 19.45 20.11 2kl2 n ALA 118 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kl2 n THR 119 N -1.01 2.07 -1.29 0.00 5.66 -1.26 -5.02 114.28 113.43 2kl2 n THR 119 Ca 0.02 -1.21 -0.34 0.00 -3.05 0.00 0.00 64.05 59.47 2kl2 n THR 119 Cb 0.13 -0.03 0.11 0.00 -1.55 0.00 0.00 70.33 68.98 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2kl2 s TYR 120 N -2.14 1.91 0.67 1.09 -0.85 -1.26 -5.03 117.35 111.75 2kl2 s TYR 120 Ca 0.51 1.63 -0.14 0.00 -0.52 0.00 0.00 57.07 58.54 2kl2 s TYR 120 Cb 0.35 -3.51 0.00 0.00 0.38 0.00 0.00 41.96 39.18 2kl2 s TYR 120 CO 0.21 -2.80 1.09 0.00 -1.52 0.00 0.00 175.55 172.53 2kl2 s ALA 121 N -2.00 2.51 0.20 9.51 0.00 -1.26 -5.00 121.76 125.72 2kl2 s ALA 121 Ca 0.75 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 2kl2 s ALA 121 Cb -0.30 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.67 2kl2 s ALA 121 CO 0.48 -1.27 1.54 -1.00 0.00 0.00 0.00 175.76 175.50 2kl2 h PRO 122 N -0.20 0.63 -0.86 0.00 0.13 -2.03 -2.99 132.00 126.68 2kl2 h PRO 122 Ca -0.46 -0.35 0.20 0.00 -0.87 0.00 0.00 66.00 64.52 2kl2 h PRO 122 Cb 1.23 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2kl2 h PRO 122 CO 0.54 0.96 0.58 1.05 -0.23 0.00 0.00 178.00 180.90 2kl2 h GLU 123 N 0.51 0.32 0.00 0.86 9.09 -2.02 -1.24 114.58 122.10 2kl2 h GLU 123 Ca 0.03 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.42 2kl2 h GLU 123 Cb 0.99 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 2kl2 h GLU 123 CO 0.09 0.21 0.00 0.91 0.05 0.00 0.00 179.01 180.27 2kl2 n TRP 124 N -4.47 0.00 0.12 2.06 7.02 -1.13 -1.85 117.44 119.20 2kl2 n TRP 124 Ca 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 2kl2 n TRP 124 Cb 0.71 -0.35 0.03 0.00 -2.42 0.00 0.00 31.31 29.28 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 0.00 -0.99 3.38 -1.36 -3.33 115.31 113.01 2kl2 h LEU 125 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kl2 h LEU 125 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kl2 h LEU 125 CO 0.00 0.63 -0.97 0.49 0.09 0.00 0.00 178.44 178.67 2kl2 n PHE 126 N -3.32 0.47 -0.93 1.13 3.72 -0.77 -4.97 117.46 112.79 2kl2 n PHE 126 Ca 0.01 0.14 -0.33 0.00 -0.05 0.00 0.00 57.45 57.22 2kl2 n PHE 126 Cb 0.76 -0.61 0.14 0.00 -0.94 0.00 0.00 39.48 38.83 2kl2 n PHE 126 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2kl2 n LEU 127 N -2.17 2.99 -4.72 4.37 4.77 -1.20 -4.99 117.00 116.06 2kl2 n LEU 127 Ca 0.02 0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 2kl2 n LEU 127 Cb 0.47 -1.42 0.12 0.00 -2.33 0.00 0.00 43.42 40.25 2kl2 n LEU 127 CO 0.39 -2.29 0.73 -2.16 -1.33 0.00 0.00 177.39 172.73 2kl2 s PRO 128 N -4.08 1.76 0.25 3.23 0.04 -1.26 -5.03 135.00 129.91 2kl2 s PRO 128 Ca 0.68 1.53 0.09 0.00 0.04 0.00 0.00 61.00 63.33 2kl2 s PRO 128 Cb -0.26 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2kl2 s PRO 128 CO 0.56 -2.07 0.03 0.71 0.04 0.00 0.00 177.00 176.27 2kl2 s TYR 129 N -2.47 2.79 0.02 0.56 2.02 -1.26 -4.50 117.35 114.51 2kl2 s TYR 129 Ca 0.68 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.20 2kl2 s TYR 129 Cb -0.23 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2kl2 s TYR 129 CO 0.52 0.58 -0.04 -1.01 -1.57 0.00 0.00 175.55 174.04 2kl2 s HIS 130 N -2.18 0.32 -1.59 2.71 3.76 -1.03 -4.99 115.29 112.29 2kl2 s HIS 130 Ca 0.31 -0.44 0.27 0.00 -0.15 0.00 0.00 55.06 55.05 2kl2 s HIS 130 Cb -0.07 -0.21 0.97 0.00 1.11 0.00 0.00 32.58 34.37 2kl2 s HIS 130 CO 0.20 -0.14 1.70 0.39 -0.85 0.00 0.00 174.74 176.05 2kl2 n GLU 131 N 1.80 0.64 -3.75 1.40 1.02 -1.26 -4.51 120.64 115.97 2kl2 n GLU 131 Ca -0.22 -0.30 -0.03 0.00 -0.02 0.00 0.00 57.16 56.59 2kl2 n GLU 131 Cb 0.56 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 2kl2 n GLU 131 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kl2 s SER 132 N -2.57 -0.14 -0.45 1.62 0.15 -1.26 -0.46 113.70 110.58 2kl2 s SER 132 Ca 0.24 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.52 2kl2 s SER 132 Cb 0.19 0.46 0.12 0.00 -1.71 0.00 0.00 66.02 65.08 2kl2 s SER 132 CO 0.52 -0.85 0.21 -0.47 1.20 0.00 0.00 173.24 173.84 2kl2 s TYR 133 N -3.08 2.84 -0.63 3.44 5.04 -1.26 -5.02 117.35 118.68 2kl2 s TYR 133 Ca 0.13 -2.84 -0.16 0.00 -2.44 0.00 0.00 57.07 51.77 2kl2 s TYR 133 Cb -0.01 -2.50 0.15 0.00 0.35 0.00 0.00 41.96 39.95 2kl2 s TYR 133 CO 0.02 -0.80 0.60 0.16 -1.34 0.00 0.00 175.55 174.19 2kl2 s ASP 134 N 0.22 6.34 0.00 4.32 -4.77 -1.26 -4.80 116.67 116.73 2kl2 s ASP 134 Ca 0.16 -1.99 0.02 0.00 -3.30 0.00 0.00 52.55 47.43 2kl2 s ASP 134 Cb -0.24 -2.22 0.11 0.00 -1.09 0.00 0.00 42.92 39.48 2kl2 s ASP 134 CO -0.03 -0.82 0.42 -0.24 0.70 0.00 0.00 175.17 175.20 2kl2 n SER 135 N 5.05 0.00 -0.08 2.11 2.88 -1.26 -2.80 113.62 119.53 2kl2 n SER 135 Ca -0.06 -0.46 0.02 0.00 -1.33 0.00 0.00 58.87 57.04 2kl2 n SER 135 Cb 0.42 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2kl2 n SER 135 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kl2 n GLU 136 N -0.61 1.51 -2.83 -1.46 1.02 -1.26 -4.99 120.64 112.02 2kl2 n GLU 136 Ca 0.01 -1.41 -0.22 0.00 -0.02 0.00 0.00 57.16 55.53 2kl2 n GLU 136 Cb 0.01 -0.91 0.10 0.00 -0.02 0.00 0.00 31.44 30.61 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 -1.14 1.72 0.00 0.62 0.00 -1.12 -5.01 107.32 102.40 2kl2 s GLY 137 Ca 0.07 -2.05 0.25 0.00 0.00 0.00 0.00 44.72 42.98 2kl2 s GLY 137 CO 0.01 -1.48 1.83 -1.55 0.00 0.00 0.00 173.10 171.90 2kl2 n PRO 138 N -2.61 0.51 0.27 2.90 -0.04 -1.26 -4.31 135.00 130.46 2kl2 n PRO 138 Ca 0.17 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 2kl2 n PRO 138 Cb 0.61 -1.50 0.75 0.00 -0.04 0.00 0.00 33.50 33.32 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 0.00 0.00 0.54 3.86 -1.95 -3.46 115.15 114.15 2kl2 h HIS 139 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kl2 h HIS 139 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2kl2 h HIS 139 CO 0.00 0.10 0.00 0.41 0.86 0.00 0.00 177.93 179.30 2kl2 n GLY 140 N -0.67 1.07 3.55 2.45 0.00 -1.26 -4.89 105.19 105.44 2kl2 n GLY 140 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2kl2 n GLY 140 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl2 s LEU 141 N 0.00 3.25 0.29 0.99 0.05 -1.26 -5.01 118.68 116.99 2kl2 s LEU 141 Ca 0.00 -0.04 0.09 0.00 0.05 0.00 0.00 54.13 54.23 2kl2 s LEU 141 Cb 0.00 -2.63 -0.06 0.00 -2.05 0.00 0.00 46.19 41.45 2kl2 s LEU 141 CO 0.00 -2.01 -0.12 -0.13 -0.55 0.00 0.00 176.35 173.54 2kl2 s ARG 142 N 6.17 1.65 0.14 1.48 3.00 -1.26 -4.99 118.95 125.14 2kl2 s ARG 142 Ca 0.49 -1.81 -0.31 0.00 0.00 0.00 0.00 55.73 54.10 2kl2 s ARG 142 Cb -0.10 -1.51 -0.10 0.00 0.00 0.00 0.00 34.95 33.24 2kl2 s ARG 142 CO 0.19 0.18 1.65 -0.47 0.00 0.00 0.00 175.30 176.84 2kl2 s TYR 143 N -2.73 2.73 -0.70 -0.53 5.04 -1.25 -4.62 117.35 115.30 2kl2 s TYR 143 Ca 0.30 0.41 0.05 0.00 -2.44 0.00 0.00 57.07 55.38 2kl2 s TYR 143 Cb 0.00 -4.01 0.20 0.00 0.35 0.00 0.00 41.96 38.50 2kl2 s TYR 143 CO 0.14 -3.88 0.60 0.09 -1.34 0.00 0.00 175.55 171.15 2kl2 n ASN 144 N 4.66 3.37 0.02 4.32 3.02 -0.80 -4.78 115.26 125.07 2kl2 n ASN 144 Ca 0.15 -3.29 -0.19 0.00 -0.03 0.00 0.00 54.58 51.23 2kl2 n ASN 144 Cb 0.38 -0.76 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kl2 h PRO 145 N 5.05 0.49 0.00 3.52 0.13 -1.91 -3.42 132.00 135.86 2kl2 h PRO 145 Ca 0.17 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kl2 h PRO 145 Cb 0.73 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2kl2 h PRO 145 CO 0.77 1.19 0.00 -2.13 -0.23 0.00 0.00 178.00 177.60 2kl2 n ARG 146 N -4.10 0.08 0.02 0.86 0.63 -1.26 -4.48 116.66 108.41 2kl2 n ARG 146 Ca -0.11 -0.09 -0.03 0.00 -0.92 0.00 0.00 57.85 56.70 2kl2 n ARG 146 Cb 0.75 -0.52 0.21 0.00 0.45 0.00 0.00 32.46 33.35 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 0.46 0.00 -0.14 4.39 -1.93 -2.83 114.58 114.53 2kl2 h GLU 147 Ca 0.00 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.42 2kl2 h GLU 147 Cb 0.33 -0.03 -0.23 0.00 -0.10 0.00 0.00 28.75 28.72 2kl2 h GLU 147 CO 0.00 0.68 -0.81 0.27 -1.16 0.00 0.00 179.01 177.99 2kl2 n ASN 148 N -4.12 1.27 0.00 1.42 0.23 -1.26 -5.18 115.26 107.62 2kl2 n ASN 148 Ca -0.00 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.30 2kl2 n ASN 148 Cb 0.41 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 2kl2 n ASN 148 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87