#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 2.31 -0.11 3.04 0.00 -0.96 -4.91 121.76 121.11 2kl2 s ALA 2 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2kl2 s ALA 2 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2kl2 s ALA 2 CO 0.00 -1.67 -0.14 -1.01 0.00 0.00 0.00 175.76 172.94 2kl2 s HIS 3 N -3.16 1.93 0.35 0.00 0.09 -1.26 -1.95 115.29 111.29 2kl2 s HIS 3 Ca 0.60 -0.94 0.03 0.00 -0.00 0.00 0.00 55.06 54.75 2kl2 s HIS 3 Cb -0.14 -1.42 -0.04 0.00 -0.00 0.00 0.00 32.58 30.98 2kl2 s HIS 3 CO 0.54 -0.51 0.10 0.96 -0.00 0.00 0.00 174.74 175.83 2kl2 s ILE 4 N 1.15 0.79 0.19 0.60 -4.36 -0.56 -2.34 121.20 116.67 2kl2 s ILE 4 Ca -0.03 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 2kl2 s ILE 4 Cb -0.14 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 2kl2 s ILE 4 CO -0.04 0.00 -0.03 0.12 0.24 0.00 0.00 174.94 175.24 2kl2 s PHE 5 N -3.36 2.77 0.95 1.37 5.36 -1.14 -1.92 117.98 122.01 2kl2 s PHE 5 Ca 0.31 -0.17 -0.15 0.00 -0.96 0.00 0.00 56.93 55.96 2kl2 s PHE 5 Cb 0.06 -1.33 0.18 0.00 -0.34 0.00 0.00 43.02 41.59 2kl2 s PHE 5 CO 0.15 0.53 1.29 0.54 -1.46 0.00 0.00 175.22 176.26 2kl2 s VAL 6 N -1.80 1.98 0.40 3.12 0.11 -0.76 -4.84 120.40 118.61 2kl2 s VAL 6 Ca 0.27 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.36 2kl2 s VAL 6 Cb -0.09 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2kl2 s VAL 6 CO 0.18 0.00 0.06 -0.47 -3.33 0.00 0.00 175.10 171.54 2kl2 s TYR 7 N -3.78 1.96 -0.84 1.54 5.04 -1.26 -4.85 117.35 115.16 2kl2 s TYR 7 Ca 0.72 -1.03 0.05 0.00 -2.44 0.00 0.00 57.07 54.37 2kl2 s TYR 7 Cb -0.06 -1.38 0.26 0.00 0.35 0.00 0.00 41.96 41.14 2kl2 s TYR 7 CO 0.53 0.01 1.16 0.41 -1.34 0.00 0.00 175.55 176.31 2kl2 n GLY 8 N -0.92 -0.60 0.15 8.97 0.00 -1.26 -2.08 105.19 109.45 2kl2 n GLY 8 Ca -0.07 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.03 2kl2 n GLY 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kl2 h THR 9 N 0.00 0.58 0.00 2.61 1.35 -1.95 -3.39 112.91 112.10 2kl2 h THR 9 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 2kl2 h THR 9 Cb 0.02 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2kl2 h THR 9 CO 0.00 0.33 0.00 0.18 -0.25 0.00 0.00 175.52 175.78 2kl2 n LEU 10 N -3.13 0.49 -0.03 3.87 7.99 -0.88 -3.66 117.00 121.64 2kl2 n LEU 10 Ca 0.01 -0.60 0.14 0.00 -0.01 0.00 0.00 56.01 55.55 2kl2 n LEU 10 Cb 0.69 0.00 0.61 0.00 -0.11 0.00 0.00 43.42 44.61 2kl2 n LEU 10 CO 0.39 0.12 0.89 1.17 -1.51 0.00 0.00 177.39 178.45 2kl2 n LYS 11 N -0.23 0.32 0.00 3.23 0.00 -1.21 -4.69 118.16 115.58 2kl2 n LYS 11 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.24 2kl2 n LYS 11 Cb 0.05 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.58 2kl2 n LYS 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kl2 n ARG 12 N -1.28 0.00 -0.25 1.64 3.00 -1.26 -4.97 116.66 113.53 2kl2 n ARG 12 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2kl2 n ARG 12 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.75 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kl2 n GLY 13 N 1.37 0.98 3.51 5.14 0.00 -1.26 -5.07 105.19 109.85 2kl2 n GLY 13 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.34 0.00 1.61 1.13 -1.25 -4.81 117.38 112.72 2kl2 n GLN 14 Ca 0.00 -0.35 0.06 0.00 -1.94 0.00 0.00 57.00 54.78 2kl2 n GLN 14 Cb 0.49 -2.14 0.35 0.00 0.11 0.00 0.00 30.24 29.05 2kl2 n GLN 14 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2kl2 n PRO 15 N -3.87 0.30 0.02 -1.09 -0.04 -1.26 -1.55 135.00 127.51 2kl2 n PRO 15 Ca 0.06 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2kl2 n PRO 15 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2kl2 n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl2 n ASN 16 N -1.13 0.59 -0.31 3.54 3.02 -1.26 -4.53 115.26 115.18 2kl2 n ASN 16 Ca 0.08 -0.34 0.28 0.00 -0.03 0.00 0.00 54.58 54.58 2kl2 n ASN 16 Cb 0.07 1.02 0.63 0.00 -0.61 0.00 0.00 39.78 40.89 2kl2 n ASN 16 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2kl2 h HIS 17 N 0.00 0.34 -1.41 3.10 2.76 -1.35 -1.26 115.15 117.32 2kl2 h HIS 17 Ca 0.00 0.01 0.42 0.00 -2.20 0.00 0.00 60.37 58.60 2kl2 h HIS 17 Cb 0.72 -0.10 -0.08 0.00 1.55 0.00 0.00 27.41 29.50 2kl2 h HIS 17 CO 0.00 0.03 0.98 1.57 -1.30 0.00 0.00 177.93 179.21 2kl2 h LYS 18 N 0.20 0.07 0.00 5.26 2.10 -1.84 0.06 116.57 122.42 2kl2 h LYS 18 Ca 0.57 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 2kl2 h LYS 18 Cb 1.84 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 2kl2 h LYS 18 CO -0.16 0.05 0.00 1.33 -2.00 0.00 0.00 179.45 178.67 2kl2 n VAL 19 N -4.31 1.18 -0.58 0.07 0.24 -0.48 -1.31 118.33 113.14 2kl2 n VAL 19 Ca 0.34 0.36 0.04 0.00 -2.04 0.00 0.00 64.34 63.04 2kl2 n VAL 19 Cb 1.45 -1.23 0.06 0.00 -1.47 0.00 0.00 33.84 32.65 2kl2 n VAL 19 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2kl2 n MET 20 N -1.77 2.01 -0.03 7.34 0.00 0.00 -4.69 117.12 119.99 2kl2 n MET 20 Ca 0.02 -1.91 0.03 0.00 0.00 0.00 0.00 57.70 55.84 2kl2 n MET 20 Cb 0.13 -1.18 0.04 0.00 0.00 0.00 0.00 33.22 32.21 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 -0.87 1.79 -3.72 3.17 4.77 -0.43 -4.77 117.00 116.95 2kl2 n LEU 21 Ca 0.07 -1.30 -0.30 0.00 -0.03 0.00 0.00 56.01 54.45 2kl2 n LEU 21 Cb 0.45 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2kl2 n LEU 21 CO 0.00 0.41 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.54 2kl2 s ASP 22 N -0.65 3.89 0.66 -1.43 -1.08 -1.18 -5.00 116.67 111.89 2kl2 s ASP 22 Ca 0.09 -1.94 0.34 0.00 -0.52 0.00 0.00 52.55 50.52 2kl2 s ASP 22 Cb 0.05 -0.91 1.88 0.00 -1.46 0.00 0.00 42.92 42.49 2kl2 s ASP 22 CO 0.08 -0.37 2.08 -0.74 0.52 0.00 0.00 175.17 176.74 2kl2 h HIS 23 N 7.66 0.00 0.00 -5.34 -0.00 -1.92 -0.09 115.15 115.46 2kl2 h HIS 23 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 2kl2 h HIS 23 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 2kl2 h HIS 23 CO 0.40 0.00 -0.07 1.03 -0.00 0.00 0.00 177.93 179.29 2kl2 h SER 24 N 0.00 0.00 0.16 3.26 0.87 -2.00 0.37 113.55 116.21 2kl2 h SER 24 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2kl2 h SER 24 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kl2 h SER 24 CO -0.00 0.07 -0.03 1.41 -0.53 0.00 0.00 176.83 177.75 2kl2 n HIS 25 N -3.84 0.00 0.00 2.24 8.25 -0.05 -5.03 115.22 116.79 2kl2 n HIS 25 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2kl2 n HIS 25 Cb 0.16 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2kl2 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 26 N 1.15 1.17 3.81 -1.41 0.00 0.12 -3.35 105.19 106.68 2kl2 n GLY 26 Ca 0.19 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 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 4.43 -0.03 0.99 2.96 -1.26 -4.17 118.68 121.60 2kl2 s LEU 27 Ca 0.00 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 54.86 2kl2 s LEU 27 Cb 0.00 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 44.10 2kl2 s LEU 27 CO 0.00 0.27 -0.11 0.00 -1.32 0.00 0.00 176.35 175.18 2kl2 s ALA 28 N -0.74 1.07 -0.01 5.97 0.00 -1.26 -2.68 121.76 124.11 2kl2 s ALA 28 Ca 0.24 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2kl2 s ALA 28 Cb -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2kl2 s ALA 28 CO 0.12 0.17 -0.02 0.00 0.00 0.00 0.00 175.76 176.04 2kl2 s ALA 29 N 0.20 0.25 -0.30 0.00 0.00 -0.03 -4.98 121.76 116.90 2kl2 s ALA 29 Ca -0.04 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.61 2kl2 s ALA 29 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2kl2 s ALA 29 CO 0.01 0.02 2.00 0.12 0.00 0.00 0.00 175.76 177.91 2kl2 s PHE 30 N 0.26 1.51 -0.55 0.00 5.36 -1.26 -1.10 117.98 122.20 2kl2 s PHE 30 Ca -0.02 0.63 0.04 0.00 -0.96 0.00 0.00 56.93 56.62 2kl2 s PHE 30 Cb -0.05 -4.02 0.39 0.00 -0.34 0.00 0.00 43.02 39.00 2kl2 s PHE 30 CO -0.01 -3.39 1.25 -2.13 -1.46 0.00 0.00 175.22 169.49 2kl2 n ARG 31 N 8.61 3.37 0.00 10.12 3.00 -0.62 -4.70 116.66 136.44 2kl2 n ARG 31 Ca 0.26 -4.42 0.00 0.00 -0.00 0.00 0.00 57.85 53.69 2kl2 n ARG 31 Cb 0.46 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.67 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 -0.44 -0.23 3.57 5.14 0.00 -1.26 -4.15 105.19 107.81 2kl2 n GLY 32 Ca 0.40 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 1.55 0.04 1.61 1.70 -0.47 -2.18 118.95 121.20 2kl2 s ARG 33 Ca 0.00 -1.29 -0.27 0.00 -0.47 0.00 0.00 55.73 53.70 2kl2 s ARG 33 Cb 0.00 0.46 0.09 0.00 -0.57 0.00 0.00 34.95 34.93 2kl2 s ARG 33 CO 0.00 -0.64 1.21 0.20 -1.08 0.00 0.00 175.30 174.99 2kl2 s GLY 34 N -3.03 -0.08 -0.02 3.88 0.00 -1.01 -1.07 107.32 105.99 2kl2 s GLY 34 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.93 2kl2 s GLY 34 CO 0.10 4.37 -0.01 0.00 0.00 0.00 0.00 173.10 177.55 2kl2 s THR 36 N 0.70 3.24 0.31 0.00 -4.23 -0.81 -0.58 115.64 114.27 2kl2 s THR 36 Ca -0.07 0.17 0.13 0.00 -1.18 0.00 0.00 61.69 60.74 2kl2 s THR 36 Cb -0.10 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 70.24 2kl2 s THR 36 CO -0.01 -0.51 1.74 -0.37 -0.54 0.00 0.00 174.62 174.93 2kl2 h VAL 37 N 7.15 1.26 -1.83 2.29 -1.51 -1.71 -3.36 116.25 118.54 2kl2 h VAL 37 Ca -0.27 -1.60 -0.59 0.00 -1.23 0.00 0.00 66.70 63.00 2kl2 h VAL 37 Cb 1.20 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 32.24 2kl2 h VAL 37 CO 1.16 0.45 1.50 -0.62 -1.23 0.00 0.00 177.57 178.83 2kl2 n GLU 38 N -3.90 1.78 -1.69 5.19 1.02 -1.14 -4.86 120.64 117.05 2kl2 n GLU 38 Ca -0.01 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.17 2kl2 n GLU 38 Cb 0.49 -3.14 -0.01 0.00 -0.02 0.00 0.00 31.44 28.76 2kl2 n GLU 38 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kl2 n SER 39 N 11.72 2.63 -4.02 1.62 7.64 -1.26 -4.66 113.62 127.29 2kl2 n SER 39 Ca 0.32 1.20 -0.09 0.00 1.01 0.00 0.00 58.87 61.32 2kl2 n SER 39 Cb 0.42 -1.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 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 -1.10 0.38 -0.73 1.43 0.08 -0.07 -0.24 117.98 117.73 2kl2 s PHE 40 Ca 0.56 -0.71 -0.26 0.00 0.12 0.00 0.00 56.93 56.63 2kl2 s PHE 40 Cb -0.58 -0.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 2kl2 s PHE 40 CO 0.62 -0.25 1.56 -1.25 -0.10 0.00 0.00 175.22 175.81 2kl2 s PRO 41 N -2.31 2.96 -0.30 0.24 0.04 -1.14 -2.62 135.00 131.88 2kl2 s PRO 41 Ca -0.08 0.00 -0.21 0.00 0.04 0.00 0.00 61.00 60.75 2kl2 s PRO 41 Cb -0.04 -4.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 2kl2 s PRO 41 CO -0.04 -2.47 0.69 -1.17 0.04 0.00 0.00 177.00 174.05 2kl2 s LEU 42 N 7.26 4.12 0.08 -3.56 2.96 -1.26 -2.60 118.68 125.68 2kl2 s LEU 42 Ca 0.51 0.53 0.07 0.00 -0.22 0.00 0.00 54.13 55.01 2kl2 s LEU 42 Cb -0.09 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2kl2 s LEU 42 CO 0.14 -0.53 -0.17 0.68 -1.32 0.00 0.00 176.35 175.15 2kl2 s VAL 43 N 2.73 1.39 -0.44 1.68 -7.23 -0.89 -2.64 120.40 115.00 2kl2 s VAL 43 Ca 0.28 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2kl2 s VAL 43 Cb -0.15 -1.29 0.12 0.00 0.56 0.00 0.00 36.38 35.62 2kl2 s VAL 43 CO 0.12 -0.14 0.22 -0.63 -0.31 0.00 0.00 175.10 174.36 2kl2 s ILE 44 N -1.21 3.19 -0.06 -0.62 1.01 -1.26 -0.88 121.20 121.37 2kl2 s ILE 44 Ca 0.02 -2.29 -0.04 0.00 0.00 0.00 0.00 60.65 58.35 2kl2 s ILE 44 Cb -0.10 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.21 2kl2 s ILE 44 CO 0.03 -0.71 0.14 0.00 0.00 0.00 0.00 174.94 174.40 2kl2 s ALA 45 N 0.87 -0.31 0.00 9.38 0.00 -1.26 -4.97 121.76 125.47 2kl2 s ALA 45 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2kl2 s ALA 45 Cb -0.22 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2kl2 s ALA 45 CO -0.04 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2kl2 n GLY 46 N 3.60 2.68 0.26 0.00 0.00 -1.26 -4.52 105.19 105.95 2kl2 n GLY 46 Ca -0.19 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.16 1.61 4.81 -1.99 -2.54 114.58 116.32 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 0.11 0.00 0.72 -0.73 0.00 0.00 179.01 179.11 2kl2 n HIS 48 N -3.95 0.20 -3.56 0.92 8.25 -1.26 -4.92 115.22 110.90 2kl2 n HIS 48 Ca -0.02 -0.10 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 2kl2 n HIS 48 Cb 0.20 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.35 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 0.35 -5.78 -4.19 0.41 3.02 -0.96 -1.50 115.26 106.61 2kl2 n ASN 49 Ca 0.17 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.45 2kl2 n ASN 49 Cb 0.34 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 35.73 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kl2 s ILE 50 N -3.36 4.65 0.70 2.41 1.01 -1.26 -4.28 121.20 121.07 2kl2 s ILE 50 Ca 0.39 -3.09 -0.16 0.00 0.00 0.00 0.00 60.65 57.79 2kl2 s ILE 50 Cb -0.12 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2kl2 s ILE 50 CO 0.83 -1.00 1.22 -2.16 0.00 0.00 0.00 174.94 173.84 2kl2 s PRO 51 N -0.43 2.29 0.25 2.79 0.04 -1.26 -4.30 135.00 134.37 2kl2 s PRO 51 Ca 0.21 1.83 0.12 0.00 0.04 0.00 0.00 61.00 63.20 2kl2 s PRO 51 Cb -0.13 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2kl2 s PRO 51 CO -0.07 -1.74 -0.21 -1.58 0.04 0.00 0.00 177.00 173.44 2kl2 s TRP 52 N -1.83 2.30 -0.43 0.56 0.52 -0.06 -4.97 118.94 115.03 2kl2 s TRP 52 Ca 0.76 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.58 2kl2 s TRP 52 Cb -0.31 -1.05 0.12 0.00 -1.15 0.00 0.00 33.47 31.08 2kl2 s TRP 52 CO 0.43 0.64 0.17 -1.17 0.02 0.00 0.00 176.95 177.04 2kl2 s LEU 53 N -3.20 4.05 0.15 2.99 2.96 -1.26 -2.10 118.68 122.28 2kl2 s LEU 53 Ca 0.27 -2.56 -0.31 0.00 -0.22 0.00 0.00 54.13 51.31 2kl2 s LEU 53 Cb -0.06 -1.48 -0.09 0.00 0.50 0.00 0.00 46.19 45.06 2kl2 s LEU 53 CO 0.13 -0.30 1.41 -0.76 -1.32 0.00 0.00 176.35 175.51 2kl2 s LEU 54 N 0.36 4.38 -0.75 -0.68 1.43 -1.07 -1.68 118.68 120.67 2kl2 s LEU 54 Ca 0.14 2.42 -0.26 0.00 -1.03 0.00 0.00 54.13 55.41 2kl2 s LEU 54 Cb -0.23 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2kl2 s LEU 54 CO -0.05 -0.66 1.80 -0.47 0.23 0.00 0.00 176.35 177.19 2kl2 s TYR 55 N 0.81 1.84 -0.41 0.29 5.04 -0.48 -4.20 117.35 120.25 2kl2 s TYR 55 Ca 0.63 0.53 0.04 0.00 -2.44 0.00 0.00 57.07 55.83 2kl2 s TYR 55 Cb -0.38 -4.18 0.17 0.00 0.35 0.00 0.00 41.96 37.91 2kl2 s TYR 55 CO 0.33 -2.08 0.42 -1.17 -1.34 0.00 0.00 175.55 171.72 2kl2 s LEU 56 N 8.74 0.17 0.04 6.97 0.20 -1.26 -4.99 118.68 128.56 2kl2 s LEU 56 Ca 0.63 -2.09 -0.30 0.00 0.69 0.00 0.00 54.13 53.06 2kl2 s LEU 56 Cb -0.09 0.46 -0.08 0.00 -0.43 0.00 0.00 46.19 46.05 2kl2 s LEU 56 CO 0.11 -0.20 1.79 -2.16 -0.29 0.00 0.00 176.35 175.60 2kl2 s PRO 57 N 0.89 4.16 0.00 0.98 0.04 -1.26 -2.50 135.00 137.32 2kl2 s PRO 57 Ca 0.24 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2kl2 s PRO 57 Cb -0.07 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2kl2 s PRO 57 CO -0.08 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2kl2 n GLY 58 N 4.25 0.33 3.86 0.56 0.00 0.67 -4.94 105.19 109.92 2kl2 n GLY 58 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2kl2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl2 s LYS 59 N -0.96 2.65 5.36 1.61 3.01 -1.04 -4.84 119.74 125.52 2kl2 s LYS 59 Ca 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 55.97 53.57 2kl2 s LYS 59 Cb 0.00 -2.44 0.00 0.00 -1.01 0.00 0.00 37.83 34.38 2kl2 s LYS 59 CO 0.00 -0.03 0.00 0.41 0.51 0.00 0.00 175.35 176.24 2kl2 n GLY 60 N -1.45 2.34 3.34 -3.33 0.00 -1.26 -0.89 105.19 103.93 2kl2 n GLY 60 Ca 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 1.61 -0.33 1.61 3.76 -1.08 -4.64 115.29 116.23 2kl2 s HIS 61 Ca 0.00 -1.59 -0.29 0.00 -0.15 0.00 0.00 55.06 53.03 2kl2 s HIS 61 Cb 0.00 -0.56 0.01 0.00 1.11 0.00 0.00 32.58 33.14 2kl2 s HIS 61 CO 0.00 -0.95 1.24 0.00 -0.85 0.00 0.00 174.74 174.18 2kl2 s VAL 63 N 4.29 4.17 0.30 0.00 1.01 -1.26 -4.47 120.40 124.44 2kl2 s VAL 63 Ca 0.53 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 2kl2 s VAL 63 Cb -0.14 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 2kl2 s VAL 63 CO 0.23 -0.73 0.87 0.42 0.00 0.00 0.00 175.10 175.89 2kl2 s THR 64 N 4.52 4.35 0.03 3.92 -4.23 -0.30 -1.92 115.64 122.01 2kl2 s THR 64 Ca 0.53 1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 62.60 2kl2 s THR 64 Cb -0.12 -3.92 0.02 0.00 1.34 0.00 0.00 72.50 69.82 2kl2 s THR 64 CO 0.27 0.11 0.22 0.61 -0.54 0.00 0.00 174.62 175.29 2kl2 n GLY 65 N 0.48 1.07 3.62 3.99 0.00 -0.45 -4.80 105.19 109.09 2kl2 n GLY 65 Ca 0.01 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 2kl2 n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kl2 s GLU 66 N -2.01 2.16 -0.10 1.61 2.56 -1.26 -2.40 118.70 119.25 2kl2 s GLU 66 Ca 0.05 -1.54 -0.00 0.00 0.00 0.00 0.00 54.97 53.48 2kl2 s GLU 66 Cb -0.01 -2.06 -0.03 0.00 2.00 0.00 0.00 34.13 34.04 2kl2 s GLU 66 CO 0.01 0.31 -0.08 0.42 -0.56 0.00 0.00 175.26 175.36 2kl2 s ILE 67 N -2.39 3.59 -0.11 -3.70 1.01 -0.93 -1.83 121.20 116.83 2kl2 s ILE 67 Ca 0.32 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2kl2 s ILE 67 Cb -0.05 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2kl2 s ILE 67 CO 0.19 0.56 -0.15 -0.31 0.00 0.00 0.00 174.94 175.22 2kl2 s TYR 68 N -0.28 2.02 0.37 3.97 1.51 -0.81 -1.58 117.35 122.55 2kl2 s TYR 68 Ca 0.04 -0.97 -0.26 0.00 -1.01 0.00 0.00 57.07 54.87 2kl2 s TYR 68 Cb -0.13 -1.45 -0.09 0.00 -0.11 0.00 0.00 41.96 40.18 2kl2 s TYR 68 CO 0.03 -0.50 1.16 -2.00 -1.11 0.00 0.00 175.55 173.13 2kl2 s GLU 69 N 1.01 4.22 0.03 -0.62 -6.30 -0.26 -1.50 118.70 115.29 2kl2 s GLU 69 Ca -0.06 1.84 -0.01 0.00 -2.50 0.00 0.00 54.97 54.24 2kl2 s GLU 69 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 34.13 31.14 2kl2 s GLU 69 CO -0.02 -0.17 -0.00 0.14 0.02 0.00 0.00 175.26 175.22 2kl2 s VAL 70 N -1.35 0.14 0.62 3.70 -7.23 -0.82 -0.85 120.40 114.60 2kl2 s VAL 70 Ca 0.53 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2kl2 s VAL 70 Cb -0.31 -0.68 0.08 0.00 0.56 0.00 0.00 36.38 36.03 2kl2 s VAL 70 CO 0.40 -0.64 0.86 1.51 -0.31 0.00 0.00 175.10 176.91 2kl2 s ASP 71 N -1.93 4.87 0.00 4.85 -4.77 -1.09 -0.40 116.67 118.21 2kl2 s ASP 71 Ca -0.08 -0.36 0.20 0.00 -3.30 0.00 0.00 52.55 49.01 2kl2 s ASP 71 Cb -0.04 -0.26 1.03 0.00 -1.09 0.00 0.00 42.92 42.56 2kl2 s ASP 71 CO -0.04 -1.46 1.64 -0.62 0.70 0.00 0.00 175.17 175.39 2kl2 n GLU 72 N -2.49 0.30 -0.04 2.11 -0.58 -1.26 -1.70 120.64 116.98 2kl2 n GLU 72 Ca 0.12 0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.76 2kl2 n GLU 72 Cb 0.60 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.84 2kl2 n GLU 72 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2kl2 h GLN 73 N 0.00 0.12 0.00 3.49 5.75 -1.94 -3.36 115.11 119.17 2kl2 h GLN 73 Ca 0.00 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.29 2kl2 h GLN 73 Cb 0.18 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2kl2 h GLN 73 CO 0.00 1.10 -0.00 1.98 -2.65 0.00 0.00 178.83 179.26 2kl2 h MET 74 N -0.66 -0.00 0.00 1.69 4.05 -1.38 0.18 114.93 118.81 2kl2 h MET 74 Ca -0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2kl2 h MET 74 Cb 1.46 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.26 2kl2 h MET 74 CO -0.03 0.18 0.00 1.25 0.23 0.00 0.00 176.91 178.55 2kl2 h LEU 75 N -0.19 0.00 0.12 3.39 6.46 -1.57 -0.96 115.31 122.56 2kl2 h LEU 75 Ca -0.00 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.46 2kl2 h LEU 75 Cb 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2kl2 h LEU 75 CO 0.00 0.00 -1.55 0.03 -0.62 0.00 0.00 178.44 176.30 2kl2 h ARG 76 N 0.00 0.26 -0.50 1.25 3.08 -1.63 -3.17 114.38 113.66 2kl2 h ARG 76 Ca 0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2kl2 h ARG 76 Cb 0.30 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2kl2 h ARG 76 CO 0.00 1.21 0.31 0.35 -1.07 0.00 0.00 179.97 180.77 2kl2 h PHE 77 N -0.22 0.65 -0.22 3.04 3.57 0.00 -0.06 116.94 123.70 2kl2 h PHE 77 Ca -0.33 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.22 2kl2 h PHE 77 Cb 1.83 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 2kl2 h PHE 77 CO 0.11 0.44 0.15 -0.07 -2.23 0.00 0.00 178.31 176.71 2kl2 h LEU 78 N 0.67 0.08 0.00 0.59 4.07 -1.37 0.19 115.31 119.54 2kl2 h LEU 78 Ca 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2kl2 h LEU 78 Cb -0.03 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2kl2 h LEU 78 CO -0.04 0.05 0.00 -0.67 -1.08 0.00 0.00 178.44 176.71 2kl2 n ASP 79 N -4.49 0.00 0.00 -0.43 2.03 -0.05 -1.18 116.55 112.43 2kl2 n ASP 79 Ca 0.02 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2kl2 n ASP 79 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 -0.81 1.78 -0.14 1.67 -0.08 -0.47 -4.40 116.55 114.10 2kl2 n ASP 80 Ca 0.08 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.30 2kl2 n ASP 80 Cb 0.04 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.61 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2kl2 h PHE 81 N 0.00 0.95 -0.27 -0.67 3.57 -0.98 -2.79 116.94 116.75 2kl2 h PHE 81 Ca 0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2kl2 h PHE 81 Cb 0.65 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2kl2 h PHE 81 CO 0.00 0.88 0.00 0.39 -2.23 0.00 0.00 178.31 177.35 2kl2 n GLU 82 N -4.19 1.88 -2.48 1.11 -0.58 -0.33 -4.95 120.64 111.10 2kl2 n GLU 82 Ca 0.02 -1.33 -0.13 0.00 -0.42 0.00 0.00 57.16 55.30 2kl2 n GLU 82 Cb 0.34 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.56 -4.01 -4.81 1.62 -0.08 -1.05 -3.94 116.55 104.84 2kl2 n ASP 83 Ca 0.15 0.16 -0.31 0.00 -1.51 0.00 0.00 54.79 53.28 2kl2 n ASP 83 Cb 0.36 -3.40 0.05 0.00 2.34 0.00 0.00 41.12 40.48 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kl2 n PRO 85 N -3.11 0.35 0.00 0.00 -0.04 -1.26 -4.80 135.00 126.16 2kl2 n PRO 85 Ca 0.08 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kl2 n PRO 85 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kl2 n SER 86 N -1.22 0.00 0.06 3.54 7.64 -0.87 -4.36 113.62 118.40 2kl2 n SER 86 Ca 0.10 0.88 -0.03 0.00 1.01 0.00 0.00 58.87 60.84 2kl2 n SER 86 Cb 0.14 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 2kl2 n SER 86 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2kl2 h MET 87 N 0.00 -0.19 -6.40 1.43 2.86 -0.99 -3.47 114.93 108.18 2kl2 h MET 87 Ca 0.00 0.01 -0.46 0.00 -2.06 0.00 0.00 59.70 57.20 2kl2 h MET 87 Cb 0.00 0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.71 2kl2 h MET 87 CO 0.00 -0.12 -0.25 0.71 1.06 0.00 0.00 176.91 178.30 2kl2 s TYR 88 N -2.17 2.45 0.00 -0.22 2.02 -1.25 -4.74 117.35 113.43 2kl2 s TYR 88 Ca -0.03 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 2kl2 s TYR 88 Cb 0.00 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2kl2 s TYR 88 CO 0.09 -0.51 0.00 1.04 -1.57 0.00 0.00 175.55 174.60 2kl2 n GLN 89 N -1.86 3.11 -1.52 -0.62 6.02 0.29 -3.98 117.38 118.81 2kl2 n GLN 89 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2kl2 n GLN 89 Cb 0.60 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.50 2kl2 n GLN 89 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2kl2 n ARG 90 N -0.30 -4.07 -3.96 -1.09 0.00 -1.24 -4.90 116.66 101.10 2kl2 n ARG 90 Ca 0.00 3.14 -0.09 0.00 -0.00 0.00 0.00 57.85 60.90 2kl2 n ARG 90 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 32.46 28.57 2kl2 n ARG 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kl2 s THR 91 N -5.02 0.00 0.47 5.15 2.01 -0.95 -4.75 115.64 112.55 2kl2 s THR 91 Ca 0.00 -1.29 -0.06 0.00 0.31 0.00 0.00 61.69 60.65 2kl2 s THR 91 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2kl2 s THR 91 CO 0.00 0.00 0.78 0.00 -0.69 0.00 0.00 174.62 174.71 2kl2 s ALA 92 N -3.87 3.41 0.00 7.40 0.00 -1.26 -3.04 121.76 124.40 2kl2 s ALA 92 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2kl2 s ALA 92 Cb -0.02 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2kl2 s ALA 92 CO 0.09 -0.30 0.00 1.47 0.00 0.00 0.00 175.76 177.02 2kl2 n LEU 93 N -2.14 0.00 -3.96 0.00 -0.00 -1.23 -4.94 117.00 104.74 2kl2 n LEU 93 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 2kl2 n LEU 93 Cb 0.55 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.80 2kl2 n LEU 93 CO 0.53 0.00 -0.45 -1.58 -0.00 0.00 0.00 177.39 175.88 2kl2 s GLN 94 N -0.98 1.66 -0.16 1.47 2.00 -1.25 -4.02 119.66 118.37 2kl2 s GLN 94 Ca 0.00 -0.34 -0.04 0.00 -2.00 0.00 0.00 55.36 52.98 2kl2 s GLN 94 Cb 0.00 -1.58 0.06 0.00 0.80 0.00 0.00 33.01 32.29 2kl2 s GLN 94 CO 0.00 -0.17 0.07 0.54 -0.50 0.00 0.00 175.29 175.23 2kl2 s VAL 95 N 1.34 0.11 0.09 1.34 0.11 -0.54 -1.83 120.40 121.01 2kl2 s VAL 95 Ca -0.02 -0.22 -0.35 0.00 -2.93 0.00 0.00 61.98 58.47 2kl2 s VAL 95 Cb -0.14 -0.67 -0.14 0.00 -1.53 0.00 0.00 36.38 33.91 2kl2 s VAL 95 CO -0.04 -0.20 1.61 1.67 -3.33 0.00 0.00 175.10 174.81 2kl2 n GLN 96 N 5.21 1.98 -2.60 1.54 7.27 0.25 0.44 117.38 131.48 2kl2 n GLN 96 Ca -0.07 0.72 -0.43 0.00 0.07 0.00 0.00 57.00 57.29 2kl2 n GLN 96 Cb 0.49 -2.48 -0.01 0.00 2.41 0.00 0.00 30.24 30.65 2kl2 n GLN 96 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2kl2 s VAL 97 N 1.57 4.13 0.46 1.69 1.01 0.65 -2.30 120.40 127.61 2kl2 s VAL 97 Ca 0.83 -1.71 0.14 0.00 0.00 0.00 0.00 61.98 61.24 2kl2 s VAL 97 Cb -0.73 -5.15 0.20 0.00 0.00 0.00 0.00 36.38 30.69 2kl2 s VAL 97 CO 0.43 -1.99 2.01 -0.07 0.00 0.00 0.00 175.10 175.48 2kl2 h LEU 98 N 12.46 0.01 -7.41 3.92 4.07 -1.39 -3.44 115.31 123.53 2kl2 h LEU 98 Ca 0.39 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.30 2kl2 h LEU 98 Cb 0.90 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.51 2kl2 h LEU 98 CO 1.44 0.16 -0.05 -0.70 -1.08 0.00 0.00 178.44 178.21 2kl2 s GLU 99 N -4.71 1.11 -0.08 1.13 2.12 -0.92 -4.88 118.70 112.46 2kl2 s GLU 99 Ca -0.04 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.54 2kl2 s GLU 99 Cb 0.16 0.48 0.05 0.00 0.26 0.00 0.00 34.13 35.07 2kl2 s GLU 99 CO 0.69 -0.44 0.17 -0.46 -0.54 0.00 0.00 175.26 174.69 2kl2 s TRP 100 N -3.81 -0.21 -0.49 5.30 -0.11 -1.26 -1.37 118.94 116.98 2kl2 s TRP 100 Ca 0.04 0.62 -0.02 0.00 1.22 0.00 0.00 56.10 57.95 2kl2 s TRP 100 Cb 0.01 -0.14 0.13 0.00 -1.50 0.00 0.00 33.47 31.97 2kl2 s TRP 100 CO -0.11 -0.24 0.29 -1.21 -4.62 0.00 0.00 176.95 171.06 2kl2 s GLU 101 N 1.81 2.19 0.00 5.86 0.41 -1.26 -4.78 118.70 122.92 2kl2 s GLU 101 Ca -0.03 -2.12 0.00 0.00 -0.41 0.00 0.00 54.97 52.41 2kl2 s GLU 101 Cb -0.12 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 2kl2 s GLU 101 CO -0.06 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 2kl2 n GLY 102 N 4.10 0.50 3.59 -1.39 0.00 -1.26 -4.66 105.19 106.07 2kl2 n GLY 102 Ca 0.02 -2.31 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.43 1.50 0.00 1.61 -1.08 -1.26 -4.73 116.67 112.27 2kl2 s ASP 103 Ca 0.00 1.02 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 2kl2 s ASP 103 Cb 0.00 -1.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.90 2kl2 s ASP 103 CO 0.00 -3.81 0.00 0.61 0.52 0.00 0.00 175.17 172.49 2kl2 n GLY 104 N -0.56 0.94 3.31 2.66 0.00 -1.26 -5.05 105.19 105.22 2kl2 n GLY 104 Ca 0.08 -0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.01 6.66 0.33 1.61 2.15 -1.26 -4.95 116.67 119.19 2kl2 s ASP 105 Ca 0.00 -2.80 0.16 0.00 0.43 0.00 0.00 52.55 50.35 2kl2 s ASP 105 Cb 0.00 -2.17 0.49 0.00 -0.30 0.00 0.00 42.92 40.94 2kl2 s ASP 105 CO 0.00 -0.53 1.65 1.55 -0.17 0.00 0.00 175.17 177.67 2kl2 h PRO 106 N 7.60 0.00 0.00 4.34 0.13 -1.97 -3.50 132.00 138.60 2kl2 h PRO 106 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2kl2 h PRO 106 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kl2 h PRO 106 CO 0.77 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 179.41 2kl2 n GLY 107 N 0.45 0.66 0.28 1.56 0.00 -1.26 -4.92 105.19 101.95 2kl2 n GLY 107 Ca -0.00 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 44.05 2kl2 n GLY 107 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kl2 h ASP 108 N 0.00 0.00 -4.94 1.61 5.19 -1.96 -3.44 116.42 112.89 2kl2 h ASP 108 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 2kl2 h ASP 108 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 2kl2 h ASP 108 CO 0.00 0.08 -0.62 -0.94 -3.12 0.00 0.00 179.24 174.63 2kl2 s SER 109 N -5.99 0.77 0.10 6.45 1.04 -1.26 -0.26 113.70 114.56 2kl2 s SER 109 Ca -0.03 -1.36 0.05 0.00 0.48 0.00 0.00 55.95 55.09 2kl2 s SER 109 Cb 0.13 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2kl2 s SER 109 CO 0.55 -0.76 -0.13 0.54 0.98 0.00 0.00 173.24 174.42 2kl2 s VAL 110 N -3.91 1.17 -1.15 5.02 0.11 0.17 -4.75 120.40 117.06 2kl2 s VAL 110 Ca 0.37 -1.58 -0.10 0.00 -2.93 0.00 0.00 61.98 57.73 2kl2 s VAL 110 Cb 0.07 -1.36 0.24 0.00 -1.53 0.00 0.00 36.38 33.81 2kl2 s VAL 110 CO 0.12 -0.40 1.33 1.67 -3.33 0.00 0.00 175.10 174.48 2kl2 n GLN 111 N 0.74 3.64 -0.09 1.54 0.00 -1.26 -1.47 117.38 120.48 2kl2 n GLN 111 Ca -0.17 -4.22 0.00 0.00 -0.00 0.00 0.00 57.00 52.61 2kl2 n GLN 111 Cb 0.56 -2.72 0.00 0.00 0.00 0.00 0.00 30.24 28.09 2kl2 n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kl2 s PHE 113 N -0.52 2.35 0.15 0.00 0.08 -0.99 -3.53 117.98 115.52 2kl2 s PHE 113 Ca 0.00 -0.63 0.09 0.00 0.12 0.00 0.00 56.93 56.51 2kl2 s PHE 113 Cb 0.00 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 2kl2 s PHE 113 CO 0.00 -0.17 -0.20 0.08 -0.10 0.00 0.00 175.22 174.84 2kl2 s VAL 114 N -0.27 1.85 -0.58 -0.44 1.01 -1.17 -2.88 120.40 117.91 2kl2 s VAL 114 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 61.98 59.92 2kl2 s VAL 114 Cb -0.13 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2kl2 s VAL 114 CO 0.02 -0.21 1.04 -0.31 0.00 0.00 0.00 175.10 175.64 2kl2 s TYR 115 N -1.72 2.69 0.80 5.22 2.02 -1.26 -2.24 117.35 122.86 2kl2 s TYR 115 Ca 0.13 0.06 -0.08 0.00 -0.37 0.00 0.00 57.07 56.82 2kl2 s TYR 115 Cb -0.07 -4.26 0.14 0.00 -0.40 0.00 0.00 41.96 37.37 2kl2 s TYR 115 CO 0.06 -1.50 1.11 0.95 -1.57 0.00 0.00 175.55 174.61 2kl2 s THR 116 N 4.37 2.12 0.05 -0.71 -4.23 -1.26 -4.54 115.64 111.44 2kl2 s THR 116 Ca 0.34 -0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.59 2kl2 s THR 116 Cb -0.11 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 2kl2 s THR 116 CO 0.20 0.00 -0.16 0.28 -0.54 0.00 0.00 174.62 174.40 2kl2 s THR 117 N -3.43 1.28 -0.32 3.99 -1.32 -0.68 -0.55 115.64 114.63 2kl2 s THR 117 Ca 0.68 -1.12 0.03 0.00 -1.21 0.00 0.00 61.69 60.07 2kl2 s THR 117 Cb -0.06 -1.16 0.06 0.00 -1.51 0.00 0.00 72.50 69.83 2kl2 s THR 117 CO 0.47 0.02 0.86 0.00 -2.21 0.00 0.00 174.62 173.77 2kl2 n ALA 118 N 1.77 2.25 -2.46 11.08 0.00 -1.26 -1.38 120.51 130.50 2kl2 n ALA 118 Ca -0.18 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.25 2kl2 n ALA 118 Cb 0.54 -0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.04 2.00 -2.16 0.00 5.66 -1.26 -5.01 114.28 113.46 2kl2 n THR 119 Ca 0.03 -4.19 -0.32 0.00 -3.05 0.00 0.00 64.05 56.52 2kl2 n THR 119 Cb 0.20 -0.57 -0.01 0.00 -1.55 0.00 0.00 70.33 68.39 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 -3.48 3.41 0.75 1.09 -0.85 -1.26 -5.07 117.35 111.93 2kl2 s TYR 120 Ca 0.42 1.43 -0.13 0.00 -0.52 0.00 0.00 57.07 58.27 2kl2 s TYR 120 Cb 0.41 -2.81 0.05 0.00 0.38 0.00 0.00 41.96 39.98 2kl2 s TYR 120 CO -0.08 -0.61 1.13 0.00 -1.52 0.00 0.00 175.55 174.47 2kl2 s ALA 121 N -2.76 2.18 0.12 9.51 0.00 -1.26 -4.99 121.76 124.56 2kl2 s ALA 121 Ca 0.59 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.87 2kl2 s ALA 121 Cb -0.11 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 2kl2 s ALA 121 CO 0.39 -1.77 1.77 -1.00 0.00 0.00 0.00 175.76 175.15 2kl2 h PRO 122 N -0.70 0.22 -0.88 0.00 0.13 -2.03 -3.01 132.00 125.73 2kl2 h PRO 122 Ca -0.45 -0.01 0.23 0.00 -0.87 0.00 0.00 66.00 64.89 2kl2 h PRO 122 Cb 1.25 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2kl2 h PRO 122 CO 0.50 0.14 0.61 1.05 -0.23 0.00 0.00 178.00 180.08 2kl2 h GLU 123 N 0.22 0.18 0.00 0.86 9.09 -2.02 -1.46 114.58 121.45 2kl2 h GLU 123 Ca 0.06 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.46 2kl2 h GLU 123 Cb -0.02 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 2kl2 h GLU 123 CO -0.02 0.12 0.00 0.91 0.05 0.00 0.00 179.01 180.07 2kl2 n TRP 124 N -4.39 0.86 0.27 2.06 7.02 -1.14 -1.06 117.44 121.06 2kl2 n TRP 124 Ca 0.19 0.33 0.17 0.00 -1.02 0.00 0.00 57.50 57.16 2kl2 n TRP 124 Cb 0.83 -1.03 0.63 0.00 -2.42 0.00 0.00 31.31 29.32 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 -1.43 -3.31 115.31 112.96 2kl2 h LEU 125 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2kl2 h LEU 125 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2kl2 h LEU 125 CO 0.00 0.00 -1.83 0.49 0.09 0.00 0.00 178.44 177.19 2kl2 n PHE 126 N -3.09 0.41 -1.01 1.13 3.72 -0.22 -4.99 117.46 113.40 2kl2 n PHE 126 Ca 0.01 0.13 -0.33 0.00 -0.05 0.00 0.00 57.45 57.21 2kl2 n PHE 126 Cb 0.33 -0.87 0.14 0.00 -0.94 0.00 0.00 39.48 38.13 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 -5.28 3.07 0.61 4.37 1.43 -1.22 -4.98 118.68 116.68 2kl2 s LEU 127 Ca -0.06 2.33 -0.18 0.00 -1.03 0.00 0.00 54.13 55.19 2kl2 s LEU 127 Cb 0.10 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 2kl2 s LEU 127 CO 0.85 -2.79 1.17 -2.16 0.23 0.00 0.00 176.35 173.65 2kl2 s PRO 128 N -4.26 2.95 0.30 1.29 0.04 -1.26 -5.03 135.00 129.03 2kl2 s PRO 128 Ca 0.72 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.53 2kl2 s PRO 128 Cb -0.27 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2kl2 s PRO 128 CO 0.52 -1.19 0.28 0.71 0.04 0.00 0.00 177.00 177.37 2kl2 s TYR 129 N -1.79 3.04 0.01 0.56 2.02 -1.26 -4.62 117.35 115.31 2kl2 s TYR 129 Ca 0.74 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 2kl2 s TYR 129 Cb -0.27 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2kl2 s TYR 129 CO 0.34 0.30 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.56 2kl2 s HIS 130 N -2.21 0.37 -0.77 2.71 3.76 -1.08 -5.01 115.29 113.07 2kl2 s HIS 130 Ca 0.38 -0.26 0.23 0.00 -0.15 0.00 0.00 55.06 55.26 2kl2 s HIS 130 Cb -0.07 -0.24 0.08 0.00 1.11 0.00 0.00 32.58 33.46 2kl2 s HIS 130 CO 0.27 -0.06 1.07 0.39 -0.85 0.00 0.00 174.74 175.56 2kl2 n GLU 131 N 2.34 0.17 -3.86 1.40 1.02 -1.26 -4.51 120.64 115.94 2kl2 n GLU 131 Ca -0.17 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 56.88 2kl2 n GLU 131 Cb 0.57 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kl2 s SER 132 N -3.53 -0.15 0.01 1.62 1.04 -1.26 -1.15 113.70 110.28 2kl2 s SER 132 Ca 0.06 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.68 2kl2 s SER 132 Cb 0.15 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 67.02 2kl2 s SER 132 CO 0.80 -1.43 -0.00 -0.72 0.98 0.00 0.00 173.24 172.86 2kl2 s TYR 133 N -3.45 0.18 -0.27 5.02 -0.85 -1.26 -5.04 117.35 111.68 2kl2 s TYR 133 Ca 0.13 -0.37 -0.04 0.00 -0.52 0.00 0.00 57.07 56.27 2kl2 s TYR 133 Cb -0.05 -0.14 0.15 0.00 0.38 0.00 0.00 41.96 42.30 2kl2 s TYR 133 CO 0.09 -0.16 0.53 0.34 -1.52 0.00 0.00 175.55 174.82 2kl2 s ASP 134 N -1.16 -0.79 0.00 -0.18 -1.08 -1.26 -4.88 116.67 107.32 2kl2 s ASP 134 Ca -0.13 0.90 0.24 0.00 -0.52 0.00 0.00 52.55 53.05 2kl2 s ASP 134 Cb -0.08 1.83 1.45 0.00 -1.46 0.00 0.00 42.92 44.67 2kl2 s ASP 134 CO -0.01 -0.26 1.86 -0.24 0.52 0.00 0.00 175.17 177.05 2kl2 n SER 135 N 5.41 0.00 -2.27 -0.34 2.88 -1.26 -2.20 113.62 115.84 2kl2 n SER 135 Ca -0.05 -0.97 -0.25 0.00 -1.33 0.00 0.00 58.87 56.26 2kl2 n SER 135 Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.94 3.48 -4.18 -1.46 -0.58 -1.26 -4.60 120.64 111.10 2kl2 n GLU 136 Ca 0.18 -4.33 -0.26 0.00 -0.42 0.00 0.00 57.16 52.33 2kl2 n GLU 136 Cb 0.08 -2.25 -0.07 0.00 -0.57 0.00 0.00 31.44 28.64 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2kl2 s GLY 137 N -3.57 1.69 0.00 0.62 0.00 -0.94 -5.03 107.32 100.10 2kl2 s GLY 137 Ca 0.49 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.87 2kl2 s GLY 137 CO -0.08 -1.40 0.59 -1.55 0.00 0.00 0.00 173.10 170.66 2kl2 n PRO 138 N -0.35 0.34 0.13 2.90 -0.04 -1.26 -3.98 135.00 132.73 2kl2 n PRO 138 Ca -0.09 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2kl2 n PRO 138 Cb 0.56 -1.17 0.43 0.00 -0.04 0.00 0.00 33.50 33.28 2kl2 n PRO 138 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kl2 n HIS 139 N -0.67 0.53 0.00 0.54 8.25 -1.26 -4.87 115.22 117.74 2kl2 n HIS 139 Ca 0.03 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2kl2 n HIS 139 Cb 0.01 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.21 2kl2 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 140 N -1.33 1.84 3.27 -1.41 0.00 -1.26 -4.89 105.19 101.41 2kl2 n GLY 140 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 4.85 -4.94 0.99 -0.00 -1.26 -4.95 117.00 111.69 2kl2 n LEU 141 Ca 0.00 -3.62 -0.25 0.00 -0.00 0.00 0.00 56.01 52.15 2kl2 n LEU 141 Cb 0.00 -1.60 -0.02 0.00 -0.00 0.00 0.00 43.42 41.80 2kl2 n LEU 141 CO 0.00 -0.14 0.09 -0.13 -0.00 0.00 0.00 177.39 177.21 2kl2 s ARG 142 N 4.61 3.50 0.83 1.47 3.00 -1.26 -4.92 118.95 126.18 2kl2 s ARG 142 Ca 0.56 -0.38 -0.13 0.00 0.00 0.00 0.00 55.73 55.78 2kl2 s ARG 142 Cb 0.08 -2.75 0.09 0.00 0.00 0.00 0.00 34.95 32.36 2kl2 s ARG 142 CO 0.06 0.28 1.13 0.98 0.00 0.00 0.00 175.30 177.75 2kl2 n TYR 143 N -1.31 1.01 -3.76 -0.53 9.36 -1.26 -4.55 117.16 116.12 2kl2 n TYR 143 Ca -0.05 0.40 -0.34 0.00 3.32 0.00 0.00 57.90 61.23 2kl2 n TYR 143 Cb 0.55 -2.07 -0.10 0.00 -0.63 0.00 0.00 39.34 37.10 2kl2 n TYR 143 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2kl2 s ASN 144 N -2.18 5.28 -0.05 2.98 0.01 -0.56 -4.93 114.94 115.48 2kl2 s ASN 144 Ca 0.71 -3.36 -0.24 0.00 -0.71 0.00 0.00 52.86 49.27 2kl2 s ASN 144 Cb -0.28 -1.80 -0.25 0.00 0.41 0.00 0.00 41.25 39.33 2kl2 s ASN 144 CO 0.53 -0.23 0.98 1.55 -1.51 0.00 0.00 177.10 178.42 2kl2 h PRO 145 N 6.31 0.21 0.00 -0.60 0.13 -1.94 -3.42 132.00 132.68 2kl2 h PRO 145 Ca 0.06 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2kl2 h PRO 145 Cb 0.86 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kl2 h PRO 145 CO 0.76 1.02 0.00 -2.13 -0.23 0.00 0.00 178.00 177.41 2kl2 n ARG 146 N -4.41 0.26 -0.37 0.86 3.00 -1.26 -5.01 116.66 109.72 2kl2 n ARG 146 Ca -0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2kl2 n ARG 146 Cb 0.58 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.69 2kl2 n ARG 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kl2 n GLU 147 N -0.05 0.00 -0.00 -0.14 1.02 -1.26 -4.22 120.64 115.99 2kl2 n GLU 147 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kl2 n GLU 147 Cb 0.13 -3.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 2kl2 n GLU 147 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kl2 n ASN 148 N 0.00 0.00 0.00 1.62 3.02 -1.26 -5.15 115.26 113.49 2kl2 n ASN 148 Ca 0.00 -1.00 0.12 0.00 -0.03 0.00 0.00 54.58 53.67 2kl2 n ASN 148 Cb 0.00 -0.00 0.70 0.00 -0.61 0.00 0.00 39.78 39.87 2kl2 n ASN 148 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18