#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl2 n ALA 2 N 0.00 -2.45 -2.64 3.04 0.00 -1.26 -3.99 120.51 113.21 2kl2 n ALA 2 Ca 0.00 0.50 -0.20 0.00 0.00 0.00 0.00 53.44 53.74 2kl2 n ALA 2 Cb 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 2kl2 n ALA 2 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2kl2 s HIS 3 N -3.11 1.12 0.37 0.00 0.09 -1.26 -2.94 115.29 109.56 2kl2 s HIS 3 Ca 0.00 -0.28 0.04 0.00 -0.00 0.00 0.00 55.06 54.82 2kl2 s HIS 3 Cb 0.00 -0.69 -0.06 0.00 -0.00 0.00 0.00 32.58 31.83 2kl2 s HIS 3 CO 0.00 0.00 0.05 0.96 -0.00 0.00 0.00 174.74 175.76 2kl2 s ILE 4 N -0.57 1.30 -0.11 0.60 -4.36 -0.50 -2.84 121.20 114.71 2kl2 s ILE 4 Ca 0.03 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 2kl2 s ILE 4 Cb -0.06 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.92 2kl2 s ILE 4 CO 0.00 0.00 -0.21 0.12 0.24 0.00 0.00 174.94 175.09 2kl2 s PHE 5 N -3.12 2.43 0.21 1.37 5.36 -0.36 -0.97 117.98 122.89 2kl2 s PHE 5 Ca 0.32 -1.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 2kl2 s PHE 5 Cb 0.08 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 2kl2 s PHE 5 CO 0.15 -0.48 0.37 0.14 -1.46 0.00 0.00 175.22 173.94 2kl2 s VAL 6 N 0.61 5.24 0.00 3.12 -7.23 0.23 -4.72 120.40 117.65 2kl2 s VAL 6 Ca -0.13 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2kl2 s VAL 6 Cb -0.17 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.01 2kl2 s VAL 6 CO 0.04 -0.21 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 2kl2 n TYR 7 N -0.83 0.00 0.00 2.82 4.11 -1.26 -1.04 117.16 120.96 2kl2 n TYR 7 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.84 2kl2 n TYR 7 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 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 0.00 2.08 0.29 -7.48 0.00 -1.26 -3.40 105.19 95.42 2kl2 n GLY 8 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 1.22 -0.01 2.61 1.35 -1.98 -1.25 112.91 114.84 2kl2 h THR 9 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2kl2 h THR 9 Cb 0.00 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 2kl2 h THR 9 CO 0.00 0.29 0.00 0.18 -0.25 0.00 0.00 175.52 175.74 2kl2 n LEU 10 N -4.27 0.16 0.00 3.87 4.77 -1.26 -3.58 117.00 116.69 2kl2 n LEU 10 Ca 0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2kl2 n LEU 10 Cb 0.24 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2kl2 n LEU 10 CO 0.40 0.03 0.00 1.17 -1.33 0.00 0.00 177.39 177.66 2kl2 n LYS 11 N -0.74 0.00 0.00 3.23 4.81 -0.47 -4.92 118.16 120.07 2kl2 n LYS 11 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2kl2 n LYS 11 Cb 0.10 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 34.91 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kl2 n ARG 12 N -0.85 0.00 -0.31 1.64 3.00 -1.25 -4.93 116.66 113.95 2kl2 n ARG 12 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2kl2 n ARG 12 Cb 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 32.46 31.92 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 0.84 0.46 3.39 -0.13 0.00 -1.26 -5.05 105.19 103.44 2kl2 n GLY 13 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.68 0.00 1.61 3.00 -1.23 -4.80 117.38 115.27 2kl2 n GLN 14 Ca -0.02 -0.16 0.04 0.00 -0.01 0.00 0.00 57.00 56.85 2kl2 n GLN 14 Cb 0.28 -1.85 0.22 0.00 0.00 0.00 0.00 30.24 28.90 2kl2 n GLN 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2kl2 n PRO 15 N -1.97 0.29 -0.00 -1.09 -0.04 -1.26 -1.02 135.00 129.90 2kl2 n PRO 15 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kl2 n PRO 15 Cb 0.56 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.91 3.78 -0.30 3.54 3.02 -1.26 -4.61 115.26 118.52 2kl2 n ASN 16 Ca 0.06 -0.12 0.17 0.00 -0.03 0.00 0.00 54.58 54.66 2kl2 n ASN 16 Cb 0.03 1.01 0.43 0.00 -0.61 0.00 0.00 39.78 40.63 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 0.79 -0.14 3.10 2.76 -1.13 -1.34 115.15 119.19 2kl2 h HIS 17 Ca 0.00 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2kl2 h HIS 17 Cb 0.01 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 2kl2 h HIS 17 CO 0.00 0.18 0.42 1.57 -1.30 0.00 0.00 177.93 178.80 2kl2 h LYS 18 N 0.57 0.00 -0.76 5.26 5.09 -1.82 -0.89 116.57 124.02 2kl2 h LYS 18 Ca 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.25 2kl2 h LYS 18 Cb 1.09 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.38 2kl2 h LYS 18 CO -0.28 0.00 0.41 -0.39 -2.09 0.00 0.00 179.45 177.10 2kl2 h VAL 19 N 0.00 1.23 0.00 0.07 -1.51 -1.59 -2.45 116.25 112.00 2kl2 h VAL 19 Ca 0.06 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2kl2 h VAL 19 Cb 0.90 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2kl2 h VAL 19 CO -0.00 0.26 0.00 0.00 -1.23 0.00 0.00 177.57 176.60 2kl2 h MET 20 N 1.06 0.00 0.00 5.19 -0.00 -1.37 -2.98 114.93 116.83 2kl2 h MET 20 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.97 2kl2 h MET 20 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 2kl2 h MET 20 CO -0.04 0.00 0.00 1.28 -0.00 0.00 0.00 176.91 178.15 2kl2 n LEU 21 N -2.73 0.00 -4.32 -0.10 4.77 -0.92 -4.32 117.00 109.38 2kl2 n LEU 21 Ca 0.03 0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 2kl2 n LEU 21 Cb 0.37 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2kl2 n LEU 21 CO 0.28 -0.06 0.00 -0.62 -1.33 0.00 0.00 177.39 175.66 2kl2 s ASP 22 N -2.51 5.96 0.66 -1.43 -1.08 -1.13 -4.95 116.67 112.19 2kl2 s ASP 22 Ca 0.24 -1.51 0.25 0.00 -0.52 0.00 0.00 52.55 51.00 2kl2 s ASP 22 Cb 0.16 -2.11 1.37 0.00 -1.46 0.00 0.00 42.92 40.87 2kl2 s ASP 22 CO 0.35 -0.65 1.77 -0.74 0.52 0.00 0.00 175.17 176.41 2kl2 h HIS 23 N 8.64 0.00 0.00 -5.34 -0.00 -1.75 -0.22 115.15 116.48 2kl2 h HIS 23 Ca -0.26 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.92 2kl2 h HIS 23 Cb 1.10 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 2kl2 h HIS 23 CO 0.64 0.00 -0.87 1.03 -0.00 0.00 0.00 177.93 178.74 2kl2 h SER 24 N 0.00 0.02 0.43 3.26 0.87 -1.94 -2.71 113.55 113.49 2kl2 h SER 24 Ca 0.00 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 2kl2 h SER 24 Cb 0.86 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2kl2 h SER 24 CO 0.00 0.88 -0.46 0.45 -0.53 0.00 0.00 176.83 177.17 2kl2 h HIS 25 N 0.01 0.04 0.00 2.24 3.86 -1.33 -3.49 115.15 116.48 2kl2 h HIS 25 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2kl2 h HIS 25 Cb 1.53 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.99 2kl2 h HIS 25 CO 0.00 0.48 0.00 0.41 0.86 0.00 0.00 177.93 179.69 2kl2 n GLY 26 N -0.20 0.52 3.76 2.45 0.00 -1.02 -3.05 105.19 107.66 2kl2 n GLY 26 Ca -0.02 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 4.47 -0.07 0.99 2.96 -1.26 -3.93 118.68 121.84 2kl2 s LEU 27 Ca 0.00 2.01 -0.07 0.00 -0.22 0.00 0.00 54.13 55.85 2kl2 s LEU 27 Cb 0.00 -3.81 0.02 0.00 0.50 0.00 0.00 46.19 42.90 2kl2 s LEU 27 CO 0.00 -0.07 0.20 0.00 -1.32 0.00 0.00 176.35 175.16 2kl2 s ALA 28 N -1.36 -0.50 -0.04 5.97 0.00 -1.26 -3.15 121.76 121.42 2kl2 s ALA 28 Ca 0.47 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 2kl2 s ALA 28 Cb -0.25 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.63 2kl2 s ALA 28 CO 0.31 -0.11 0.36 0.00 0.00 0.00 0.00 175.76 176.32 2kl2 s ALA 29 N -0.09 -0.91 0.02 0.00 0.00 -0.34 -4.99 121.76 115.44 2kl2 s ALA 29 Ca -0.02 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2kl2 s ALA 29 Cb -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 2kl2 s ALA 29 CO 0.01 -0.26 1.54 0.12 0.00 0.00 0.00 175.76 177.17 2kl2 s PHE 30 N -1.01 2.54 -0.38 0.00 5.36 -1.26 -0.83 117.98 122.40 2kl2 s PHE 30 Ca -0.11 0.52 0.06 0.00 -0.96 0.00 0.00 56.93 56.44 2kl2 s PHE 30 Cb -0.04 -3.83 0.44 0.00 -0.34 0.00 0.00 43.02 39.25 2kl2 s PHE 30 CO 0.04 -3.25 1.14 -2.13 -1.46 0.00 0.00 175.22 169.56 2kl2 n ARG 31 N 5.73 3.50 0.00 10.12 3.00 0.23 -4.82 116.66 134.42 2kl2 n ARG 31 Ca 0.15 -4.36 0.00 0.00 -0.00 0.00 0.00 57.85 53.64 2kl2 n ARG 31 Cb 0.42 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.62 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 -0.58 -2.98 3.45 5.14 0.00 -1.26 -3.80 105.19 105.16 2kl2 n GLY 32 Ca 0.41 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.78 1.70 0.04 1.61 1.70 0.06 -1.20 118.95 122.08 2kl2 s ARG 33 Ca 0.00 -1.97 -0.21 0.00 -0.47 0.00 0.00 55.73 53.08 2kl2 s ARG 33 Cb 0.00 -0.68 0.07 0.00 -0.57 0.00 0.00 34.95 33.77 2kl2 s ARG 33 CO 0.00 -0.30 0.96 0.41 -1.08 0.00 0.00 175.30 175.29 2kl2 n GLY 34 N -0.72 0.45 3.17 3.88 0.00 -0.95 -0.61 105.19 110.42 2kl2 n GLY 34 Ca -0.03 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 2kl2 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl2 s THR 36 N -2.58 3.96 0.50 0.00 -4.23 -0.12 -0.93 115.64 112.24 2kl2 s THR 36 Ca -0.05 -1.41 0.15 0.00 -1.18 0.00 0.00 61.69 59.20 2kl2 s THR 36 Cb -0.01 -5.03 0.28 0.00 1.34 0.00 0.00 72.50 69.08 2kl2 s THR 36 CO -0.04 -1.83 2.12 -0.37 -0.54 0.00 0.00 174.62 173.96 2kl2 h VAL 37 N 6.06 1.00 0.00 2.29 -1.51 -1.89 -1.74 116.25 120.46 2kl2 h VAL 37 Ca 0.34 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 2kl2 h VAL 37 Cb 0.92 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2kl2 h VAL 37 CO 1.41 0.02 0.00 1.21 -1.23 0.00 0.00 177.57 178.98 2kl2 n GLU 38 N -4.52 0.74 -1.82 5.19 2.13 -1.26 -4.88 120.64 116.22 2kl2 n GLU 38 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2kl2 n GLU 38 Cb 0.12 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2kl2 n GLU 38 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2kl2 n SER 39 N 0.28 -0.70 -4.27 4.31 7.64 -0.65 -0.18 113.62 120.05 2kl2 n SER 39 Ca 0.00 1.05 -0.20 0.00 1.01 0.00 0.00 58.87 60.74 2kl2 n SER 39 Cb 0.24 -1.78 -0.11 0.00 -1.01 0.00 0.00 64.21 61.55 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 -0.04 1.54 -0.58 1.43 0.40 0.35 -0.28 117.98 120.80 2kl2 s PHE 40 Ca 0.00 -0.51 -0.28 0.00 -0.60 0.00 0.00 56.93 55.53 2kl2 s PHE 40 Cb 0.00 -0.80 0.03 0.00 0.51 0.00 0.00 43.02 42.76 2kl2 s PHE 40 CO 0.00 0.20 1.23 -1.25 0.70 0.00 0.00 175.22 176.10 2kl2 s PRO 41 N -2.59 3.47 -0.41 0.24 0.04 -1.05 -2.46 135.00 132.26 2kl2 s PRO 41 Ca 0.10 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.38 2kl2 s PRO 41 Cb -0.06 -4.04 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2kl2 s PRO 41 CO 0.04 -1.74 0.20 -1.17 0.04 0.00 0.00 177.00 174.38 2kl2 s LEU 42 N 5.16 5.19 0.01 -3.56 0.20 -1.26 -1.53 118.68 122.89 2kl2 s LEU 42 Ca 0.44 -1.95 0.03 0.00 0.69 0.00 0.00 54.13 53.35 2kl2 s LEU 42 Cb -0.08 -1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 2kl2 s LEU 42 CO 0.25 -0.54 -0.05 0.68 -0.29 0.00 0.00 176.35 176.40 2kl2 s VAL 43 N 1.18 3.75 -0.32 1.68 -7.23 -0.88 -2.26 120.40 116.31 2kl2 s VAL 43 Ca 0.07 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 2kl2 s VAL 43 Cb -0.23 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2kl2 s VAL 43 CO -0.03 0.37 0.57 -0.63 -0.31 0.00 0.00 175.10 175.07 2kl2 s ILE 44 N -1.03 4.98 0.43 -0.62 1.01 -1.26 -1.17 121.20 123.54 2kl2 s ILE 44 Ca 0.18 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.49 2kl2 s ILE 44 Cb -0.11 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2kl2 s ILE 44 CO 0.09 -0.16 0.14 0.00 0.00 0.00 0.00 174.94 175.00 2kl2 s ALA 45 N 2.50 3.08 0.00 9.38 0.00 -1.24 -4.92 121.76 130.57 2kl2 s ALA 45 Ca 0.22 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2kl2 s ALA 45 Cb -0.15 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2kl2 s ALA 45 CO 0.13 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2kl2 n GLY 46 N -0.97 -0.67 0.23 0.00 0.00 -1.26 -0.61 105.19 101.91 2kl2 n GLY 46 Ca -0.07 -1.53 0.16 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.48 1.61 4.57 -2.01 -2.02 114.58 116.25 2kl2 h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kl2 h GLU 47 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2kl2 h GLU 47 CO 0.00 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.55 2kl2 n HIS 48 N -2.70 0.63 -3.08 0.92 8.25 -1.26 -4.99 115.22 113.00 2kl2 n HIS 48 Ca 0.00 -0.45 -0.18 0.00 -0.26 0.00 0.00 57.72 56.83 2kl2 n HIS 48 Cb 0.20 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 1.03 -7.13 -3.93 0.41 3.02 -0.76 -1.34 115.26 106.56 2kl2 n ASN 49 Ca 0.17 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.71 2kl2 n ASN 49 Cb 0.51 -4.15 -0.13 0.00 -0.61 0.00 0.00 39.78 35.39 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 -2.26 2.70 0.68 2.41 1.01 0.22 -3.56 121.20 122.40 2kl2 s ILE 50 Ca 0.29 -3.66 -0.17 0.00 0.00 0.00 0.00 60.65 57.10 2kl2 s ILE 50 Cb -0.06 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.59 2kl2 s ILE 50 CO 0.81 -0.87 1.25 -2.16 0.00 0.00 0.00 174.94 173.97 2kl2 s PRO 51 N -0.71 2.39 -0.08 2.79 0.04 -1.26 -3.63 135.00 134.54 2kl2 s PRO 51 Ca 0.20 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2kl2 s PRO 51 Cb -0.18 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2kl2 s PRO 51 CO -0.06 -1.69 -0.16 -1.58 0.04 0.00 0.00 177.00 173.56 2kl2 s TRP 52 N -1.64 1.85 -0.49 0.56 0.52 -0.32 -4.92 118.94 114.50 2kl2 s TRP 52 Ca 0.79 -0.75 -0.20 0.00 0.02 0.00 0.00 56.10 55.96 2kl2 s TRP 52 Cb -0.34 -1.31 0.04 0.00 -1.15 0.00 0.00 33.47 30.72 2kl2 s TRP 52 CO 0.42 -0.36 0.66 -1.17 0.02 0.00 0.00 176.95 176.52 2kl2 s LEU 53 N 0.66 4.72 0.10 2.99 0.20 -1.26 -2.07 118.68 124.02 2kl2 s LEU 53 Ca -0.14 -0.67 -0.22 0.00 0.69 0.00 0.00 54.13 53.80 2kl2 s LEU 53 Cb -0.16 -2.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.96 2kl2 s LEU 53 CO 0.04 -0.88 0.66 -0.76 -0.29 0.00 0.00 176.35 175.11 2kl2 s LEU 54 N 2.82 4.54 -0.75 -0.68 1.43 -0.58 -2.46 118.68 123.00 2kl2 s LEU 54 Ca 0.19 1.40 -0.26 0.00 -1.03 0.00 0.00 54.13 54.43 2kl2 s LEU 54 Cb -0.17 -3.06 -0.00 0.00 0.03 0.00 0.00 46.19 42.99 2kl2 s LEU 54 CO 0.15 0.22 1.68 -0.47 0.23 0.00 0.00 176.35 178.16 2kl2 s TYR 55 N -0.97 1.95 -0.41 0.29 5.04 -0.65 -4.21 117.35 118.38 2kl2 s TYR 55 Ca 0.32 0.35 0.05 0.00 -2.44 0.00 0.00 57.07 55.36 2kl2 s TYR 55 Cb -0.21 -4.29 0.17 0.00 0.35 0.00 0.00 41.96 37.98 2kl2 s TYR 55 CO 0.22 -2.10 0.50 -1.17 -1.34 0.00 0.00 175.55 171.65 2kl2 s LEU 56 N 7.93 -0.49 0.52 6.97 0.20 -1.26 -4.97 118.68 127.59 2kl2 s LEU 56 Ca 0.57 -1.60 -0.23 0.00 0.69 0.00 0.00 54.13 53.56 2kl2 s LEU 56 Cb -0.09 1.02 -0.06 0.00 -0.43 0.00 0.00 46.19 46.63 2kl2 s LEU 56 CO 0.12 -0.19 1.38 -0.81 -0.29 0.00 0.00 176.35 176.56 2kl2 n PRO 57 N 3.88 1.86 -3.95 0.98 -0.04 -1.26 -3.32 135.00 133.15 2kl2 n PRO 57 Ca 0.15 0.68 -0.27 0.00 -0.04 0.00 0.00 63.50 64.01 2kl2 n PRO 57 Cb 0.50 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 2kl2 n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kl2 n GLY 58 N 0.70 -0.31 2.93 0.55 0.00 0.74 -4.94 105.19 104.87 2kl2 n GLY 58 Ca 0.09 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.58 0.14 7.04 1.61 2.47 -0.07 -4.98 119.74 119.38 2kl2 s LYS 59 Ca 0.06 -0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.27 2kl2 s LYS 59 Cb -0.03 0.05 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 2kl2 s LYS 59 CO 0.90 -0.02 0.00 0.41 0.16 0.00 0.00 175.35 176.79 2kl2 n GLY 60 N 2.50 1.99 3.24 5.54 0.00 -1.26 -1.94 105.19 115.27 2kl2 n GLY 60 Ca -0.17 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 1.30 -0.59 1.61 3.76 -1.03 -4.76 115.29 115.59 2kl2 s HIS 61 Ca 0.00 -1.34 -0.25 0.00 -0.15 0.00 0.00 55.06 53.32 2kl2 s HIS 61 Cb 0.00 -0.67 0.04 0.00 1.11 0.00 0.00 32.58 33.06 2kl2 s HIS 61 CO 0.00 -0.56 1.04 0.00 -0.85 0.00 0.00 174.74 174.36 2kl2 s VAL 63 N 4.37 3.64 0.39 0.00 1.01 -1.26 -4.69 120.40 123.86 2kl2 s VAL 63 Ca 0.32 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.72 2kl2 s VAL 63 Cb -0.12 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 2kl2 s VAL 63 CO 0.19 -0.50 1.06 0.42 0.00 0.00 0.00 175.10 176.27 2kl2 s THR 64 N 6.19 3.69 0.00 3.92 -4.23 0.02 -0.94 115.64 124.28 2kl2 s THR 64 Ca 0.73 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.58 2kl2 s THR 64 Cb -0.20 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.93 2kl2 s THR 64 CO 0.33 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2kl2 n GLY 65 N 0.44 1.60 3.17 3.99 0.00 -0.01 -4.63 105.19 109.75 2kl2 n GLY 65 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.22 0.85 -0.17 1.61 2.02 -0.20 -2.23 118.70 119.36 2kl2 s GLU 66 Ca 0.00 -1.29 -0.07 0.00 0.02 0.00 0.00 54.97 53.62 2kl2 s GLU 66 Cb 0.00 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 33.88 2kl2 s GLU 66 CO 0.00 0.01 0.08 0.42 0.02 0.00 0.00 175.26 175.79 2kl2 s ILE 67 N -3.30 5.01 -0.13 -1.63 1.01 -0.34 -0.60 121.20 121.21 2kl2 s ILE 67 Ca 0.10 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.81 2kl2 s ILE 67 Cb 0.03 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2kl2 s ILE 67 CO -0.03 0.50 -0.19 -0.31 0.00 0.00 0.00 174.94 174.90 2kl2 s TYR 68 N -0.00 2.69 0.29 3.97 1.51 -0.14 -0.60 117.35 125.07 2kl2 s TYR 68 Ca 0.07 -1.10 -0.30 0.00 -1.01 0.00 0.00 57.07 54.74 2kl2 s TYR 68 Cb -0.12 -1.81 -0.11 0.00 -0.11 0.00 0.00 41.96 39.80 2kl2 s TYR 68 CO 0.00 -0.47 1.61 -2.00 -1.11 0.00 0.00 175.55 173.58 2kl2 s GLU 69 N 0.64 4.11 0.30 -0.62 2.12 -0.01 -1.41 118.70 123.83 2kl2 s GLU 69 Ca -0.10 2.60 0.03 0.00 0.36 0.00 0.00 54.97 57.85 2kl2 s GLU 69 Cb -0.16 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2kl2 s GLU 69 CO 0.02 -0.65 0.14 0.14 -0.54 0.00 0.00 175.26 174.38 2kl2 s VAL 70 N 0.02 0.39 0.43 3.70 -7.23 -1.15 -1.20 120.40 115.36 2kl2 s VAL 70 Ca 0.64 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2kl2 s VAL 70 Cb -0.48 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 2kl2 s VAL 70 CO 0.48 0.00 0.01 -0.67 -0.31 0.00 0.00 175.10 174.61 2kl2 n ASP 71 N -0.83 3.01 -0.23 4.85 -0.08 -1.19 -4.13 116.55 117.96 2kl2 n ASP 71 Ca 0.01 -2.92 -0.07 0.00 -1.51 0.00 0.00 54.79 50.30 2kl2 n ASP 71 Cb 0.65 0.37 -0.01 0.00 2.34 0.00 0.00 41.12 44.46 2kl2 n ASP 71 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2kl2 h GLU 72 N 0.00 -0.16 0.00 -0.67 5.08 -1.94 -1.30 114.58 115.58 2kl2 h GLU 72 Ca -0.36 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 2kl2 h GLU 72 Cb 1.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kl2 h GLU 72 CO 0.59 -0.11 -0.43 0.37 -1.00 0.00 0.00 179.01 178.43 2kl2 h GLN 73 N -0.17 0.00 -0.13 2.33 5.75 -1.95 0.56 115.11 121.50 2kl2 h GLN 73 Ca 0.22 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2kl2 h GLN 73 Cb 0.56 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 2kl2 h GLN 73 CO -0.73 0.43 -0.00 1.98 -2.65 0.00 0.00 178.83 177.86 2kl2 h MET 74 N 0.00 0.24 0.00 1.69 4.05 -1.19 0.27 114.93 119.99 2kl2 h MET 74 Ca -0.00 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 2kl2 h MET 74 Cb 0.90 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.67 2kl2 h MET 74 CO 0.06 0.48 -0.14 1.25 0.23 0.00 0.00 176.91 178.79 2kl2 h LEU 75 N -0.03 0.00 0.01 3.39 6.46 -0.83 -0.95 115.31 123.36 2kl2 h LEU 75 Ca 0.04 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.53 2kl2 h LEU 75 Cb 0.37 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.31 2kl2 h LEU 75 CO 0.01 0.14 -1.13 0.03 -0.62 0.00 0.00 178.44 176.86 2kl2 h ARG 76 N 0.00 0.45 -0.23 1.25 3.08 -0.62 -2.99 114.38 115.32 2kl2 h ARG 76 Ca -0.00 -0.59 -0.05 0.00 0.07 0.00 0.00 59.98 59.41 2kl2 h ARG 76 Cb 0.26 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2kl2 h ARG 76 CO 0.02 1.24 -0.05 0.35 -1.07 0.00 0.00 179.97 180.46 2kl2 h PHE 77 N 0.21 0.49 -0.45 3.04 3.57 0.02 -2.32 116.94 121.49 2kl2 h PHE 77 Ca -0.13 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.34 2kl2 h PHE 77 Cb 1.81 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.40 2kl2 h PHE 77 CO 0.08 0.66 0.31 -0.07 -2.23 0.00 0.00 178.31 177.06 2kl2 h LEU 78 N 0.18 0.23 0.00 0.59 4.07 -1.32 0.45 115.31 119.51 2kl2 h LEU 78 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2kl2 h LEU 78 Cb 0.50 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2kl2 h LEU 78 CO 0.02 0.15 0.00 -0.67 -1.08 0.00 0.00 178.44 176.86 2kl2 n ASP 79 N -4.46 0.00 0.00 -0.43 2.03 -0.88 -2.94 116.55 109.87 2kl2 n ASP 79 Ca 0.07 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kl2 n ASP 79 Cb 0.33 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 -1.40 4.01 0.14 1.67 2.03 -0.24 -3.33 116.55 119.43 2kl2 n ASP 80 Ca 0.03 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 2kl2 n ASP 80 Cb 0.08 0.51 0.17 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.00 -0.20 -0.67 3.57 -0.87 -2.94 116.94 115.83 2kl2 h PHE 81 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2kl2 h PHE 81 Cb 0.57 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 2kl2 h PHE 81 CO 0.00 0.61 -0.36 -0.85 -2.23 0.00 0.00 178.31 175.48 2kl2 n GLU 82 N -3.74 1.85 -2.03 1.11 0.28 -1.22 -4.98 120.64 111.91 2kl2 n GLU 82 Ca -0.01 -3.34 -0.10 0.00 -0.16 0.00 0.00 57.16 53.54 2kl2 n GLU 82 Cb 0.62 -1.75 -0.02 0.00 1.43 0.00 0.00 31.44 31.72 2kl2 n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kl2 n ASP 83 N -1.09 -3.19 -4.79 -1.84 2.03 -1.11 -2.83 116.55 103.73 2kl2 n ASP 83 Ca 0.27 0.25 -0.31 0.00 0.52 0.00 0.00 54.79 55.51 2kl2 n ASP 83 Cb 0.84 -2.85 0.08 0.00 -0.72 0.00 0.00 41.12 38.46 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 -3.36 0.28 0.07 0.00 -0.04 -1.25 -4.76 135.00 125.94 2kl2 n PRO 85 Ca 0.09 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2kl2 n PRO 85 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.25 0.00 3.54 0.87 -1.47 -3.40 113.55 112.84 2kl2 h SER 86 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2kl2 h SER 86 Cb 0.07 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2kl2 h SER 86 CO 0.00 -0.14 0.00 0.23 -0.53 0.00 0.00 176.83 176.39 2kl2 n MET 87 N -2.83 0.00 -2.87 2.24 2.81 -1.05 -4.95 117.12 110.47 2kl2 n MET 87 Ca -0.03 0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 55.98 2kl2 n MET 87 Cb 0.09 -0.88 0.08 0.00 -0.71 0.00 0.00 33.22 31.81 2kl2 n MET 87 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kl2 n TYR 88 N -1.47 -2.46 -3.58 2.03 4.02 -1.13 -4.87 117.16 109.70 2kl2 n TYR 88 Ca 0.00 -2.03 -0.02 0.00 -0.01 0.00 0.00 57.90 55.84 2kl2 n TYR 88 Cb 0.00 -0.60 -0.05 0.00 -0.02 0.00 0.00 39.34 38.66 2kl2 n TYR 88 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2kl2 s GLN 89 N -4.77 0.47 0.50 -0.72 -2.07 -0.14 -3.86 119.66 109.08 2kl2 s GLN 89 Ca 0.63 0.97 -0.21 0.00 -1.82 0.00 0.00 55.36 54.93 2kl2 s GLN 89 Cb -0.05 0.36 -0.07 0.00 -1.09 0.00 0.00 33.01 32.16 2kl2 s GLN 89 CO 0.40 -0.13 1.14 0.50 -1.32 0.00 0.00 175.29 175.89 2kl2 s ARG 90 N 2.03 3.57 0.22 9.60 3.00 -1.26 -1.41 118.95 134.69 2kl2 s ARG 90 Ca -0.07 1.68 -0.11 0.00 -1.00 0.00 0.00 55.73 56.24 2kl2 s ARG 90 Cb -0.06 -2.21 -0.01 0.00 0.00 0.00 0.00 34.95 32.67 2kl2 s ARG 90 CO -0.18 -0.68 0.39 0.99 0.00 0.00 0.00 175.30 175.82 2kl2 s THR 91 N -1.66 0.02 0.02 4.11 2.01 0.55 -4.86 115.64 115.82 2kl2 s THR 91 Ca 0.68 -1.41 0.07 0.00 0.31 0.00 0.00 61.69 61.34 2kl2 s THR 91 Cb -0.26 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2kl2 s THR 91 CO 0.31 -0.09 -0.22 0.00 -0.69 0.00 0.00 174.62 173.93 2kl2 s ALA 92 N -4.01 1.85 0.30 7.40 0.00 -1.26 -1.01 121.76 125.03 2kl2 s ALA 92 Ca 0.22 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 2kl2 s ALA 92 Cb 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2kl2 s ALA 92 CO 0.06 0.44 0.51 -0.48 0.00 0.00 0.00 175.76 176.28 2kl2 s LEU 93 N -0.89 0.55 -0.40 0.00 -0.00 -1.08 -4.99 118.68 111.86 2kl2 s LEU 93 Ca 0.09 -1.17 -0.20 0.00 -0.00 0.00 0.00 54.13 52.85 2kl2 s LEU 93 Cb -0.09 1.76 0.01 0.00 -0.00 0.00 0.00 46.19 47.88 2kl2 s LEU 93 CO 0.01 -1.26 0.59 -1.58 -0.00 0.00 0.00 176.35 174.11 2kl2 s GLN 94 N -3.46 3.39 -0.01 1.48 2.00 -1.26 -2.89 119.66 118.91 2kl2 s GLN 94 Ca 0.25 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.30 2kl2 s GLN 94 Cb -0.01 -3.90 -0.04 0.00 0.80 0.00 0.00 33.01 29.86 2kl2 s GLN 94 CO 0.13 -0.87 0.04 0.08 -0.50 0.00 0.00 175.29 174.17 2kl2 s VAL 95 N 2.63 4.44 0.26 1.34 1.01 -0.05 -4.16 120.40 125.87 2kl2 s VAL 95 Ca 0.21 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2kl2 s VAL 95 Cb -0.15 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 2kl2 s VAL 95 CO 0.17 0.40 0.97 -1.58 0.00 0.00 0.00 175.10 175.05 2kl2 s GLN 96 N -1.55 4.76 -0.82 2.72 0.74 -0.11 -0.74 119.66 124.67 2kl2 s GLN 96 Ca 0.20 1.53 -0.18 0.00 0.05 0.00 0.00 55.36 56.96 2kl2 s GLN 96 Cb -0.12 -3.18 0.15 0.00 1.10 0.00 0.00 33.01 30.96 2kl2 s GLN 96 CO 0.11 0.41 0.93 0.08 -0.55 0.00 0.00 175.29 176.27 2kl2 s VAL 97 N -1.25 4.97 0.44 1.34 1.01 0.19 -2.58 120.40 124.51 2kl2 s VAL 97 Ca 0.43 -1.64 0.29 0.00 0.00 0.00 0.00 61.98 61.06 2kl2 s VAL 97 Cb -0.26 -4.63 0.31 0.00 0.00 0.00 0.00 36.38 31.80 2kl2 s VAL 97 CO 0.32 -1.30 2.11 -0.07 0.00 0.00 0.00 175.10 176.17 2kl2 h LEU 98 N 9.65 0.00 -7.00 3.92 4.07 -1.12 -3.45 115.31 121.38 2kl2 h LEU 98 Ca 0.03 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.02 2kl2 h LEU 98 Cb 1.04 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.57 2kl2 h LEU 98 CO 1.01 0.09 0.43 -0.70 -1.08 0.00 0.00 178.44 178.19 2kl2 s GLU 99 N -4.24 0.74 -0.03 1.13 2.12 -1.14 -4.89 118.70 112.39 2kl2 s GLU 99 Ca -0.03 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.56 2kl2 s GLU 99 Cb 0.13 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.86 2kl2 s GLU 99 CO 0.57 -0.22 -0.18 -0.46 -0.54 0.00 0.00 175.26 174.43 2kl2 s TRP 100 N -1.07 1.68 -0.18 5.30 -0.11 -1.26 -0.76 118.94 122.55 2kl2 s TRP 100 Ca -0.04 -0.40 -0.04 0.00 1.22 0.00 0.00 56.10 56.83 2kl2 s TRP 100 Cb -0.01 -1.11 -0.03 0.00 -1.50 0.00 0.00 33.47 30.83 2kl2 s TRP 100 CO 0.04 -0.10 -0.02 -1.21 -4.62 0.00 0.00 176.95 171.05 2kl2 s GLU 101 N -0.21 3.64 0.73 5.86 0.41 -1.25 -4.82 118.70 123.07 2kl2 s GLU 101 Ca 0.02 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 2kl2 s GLU 101 Cb -0.09 -3.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 2kl2 s GLU 101 CO 0.01 0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.31 2kl2 n GLY 102 N 3.91 -1.94 3.73 -1.39 0.00 -1.26 -4.68 105.19 103.57 2kl2 n GLY 102 Ca -0.17 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.84 4.61 0.00 1.61 -1.08 -1.26 -4.47 116.67 112.24 2kl2 s ASP 103 Ca 0.00 2.43 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 2kl2 s ASP 103 Cb 0.00 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2kl2 s ASP 103 CO 0.00 -1.99 0.00 0.61 0.52 0.00 0.00 175.17 174.31 2kl2 n GLY 104 N 0.55 0.77 3.30 2.66 0.00 -1.26 -5.06 105.19 106.14 2kl2 n GLY 104 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.40 6.58 0.48 1.61 2.15 -1.26 -4.93 116.67 119.91 2kl2 s ASP 105 Ca 0.00 -2.77 0.17 0.00 0.43 0.00 0.00 52.55 50.38 2kl2 s ASP 105 Cb 0.00 -2.16 1.17 0.00 -0.30 0.00 0.00 42.92 41.63 2kl2 s ASP 105 CO 0.00 -0.53 2.06 1.55 -0.17 0.00 0.00 175.17 178.09 2kl2 h PRO 106 N 7.60 0.00 0.00 4.34 0.13 -1.97 -3.49 132.00 138.61 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 0.76 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2kl2 n GLY 107 N -1.17 0.25 0.02 1.56 0.00 -1.26 -4.89 105.19 99.70 2kl2 n GLY 107 Ca -0.03 -2.30 0.09 0.00 0.00 0.00 0.00 46.02 43.78 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 0.04 0.13 -4.17 1.61 -0.08 -1.26 -4.68 116.55 108.14 2kl2 n ASP 108 Ca 0.00 0.53 -0.10 0.00 -1.51 0.00 0.00 54.79 53.71 2kl2 n ASP 108 Cb 0.00 -0.56 -0.10 0.00 2.34 0.00 0.00 41.12 42.80 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kl2 s SER 109 N -3.24 0.49 0.30 1.67 1.04 -1.26 -0.64 113.70 112.05 2kl2 s SER 109 Ca 0.07 -1.20 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 2kl2 s SER 109 Cb 0.11 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 2kl2 s SER 109 CO 0.32 -0.70 0.39 0.54 0.98 0.00 0.00 173.24 174.78 2kl2 s VAL 110 N -3.97 0.00 -0.15 5.02 0.11 0.08 -4.79 120.40 116.70 2kl2 s VAL 110 Ca 0.24 -1.68 -0.08 0.00 -2.93 0.00 0.00 61.98 57.53 2kl2 s VAL 110 Cb 0.07 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2kl2 s VAL 110 CO 0.02 0.00 0.12 -1.58 -3.33 0.00 0.00 175.10 170.33 2kl2 s GLN 111 N -3.49 3.70 0.33 1.54 0.74 -1.26 -0.88 119.66 120.34 2kl2 s GLN 111 Ca 0.32 -0.19 0.09 0.00 0.05 0.00 0.00 55.36 55.62 2kl2 s GLN 111 Cb 0.01 -3.24 -0.06 0.00 1.10 0.00 0.00 33.01 30.82 2kl2 s GLN 111 CO 0.18 0.58 -0.08 0.00 -0.55 0.00 0.00 175.29 175.42 2kl2 s PHE 113 N -2.74 3.35 0.07 0.00 0.08 -1.13 -2.64 117.98 114.98 2kl2 s PHE 113 Ca 0.32 1.37 -0.03 0.00 0.12 0.00 0.00 56.93 58.71 2kl2 s PHE 113 Cb 0.03 -2.66 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2kl2 s PHE 113 CO 0.15 -0.01 0.05 0.08 -0.10 0.00 0.00 175.22 175.39 2kl2 s VAL 114 N -2.10 0.18 -0.35 -0.44 1.01 -0.18 -1.23 120.40 117.29 2kl2 s VAL 114 Ca 0.57 -1.63 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 2kl2 s VAL 114 Cb -0.10 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.80 2kl2 s VAL 114 CO 0.17 -0.82 0.12 -0.31 0.00 0.00 0.00 175.10 174.26 2kl2 s TYR 115 N -3.92 3.31 0.00 5.22 1.51 -1.26 -0.33 117.35 121.87 2kl2 s TYR 115 Ca 0.09 -1.62 0.00 0.00 -1.01 0.00 0.00 57.07 54.53 2kl2 s TYR 115 Cb 0.07 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 2kl2 s TYR 115 CO -0.09 -0.79 0.00 0.25 -1.11 0.00 0.00 175.55 173.82 2kl2 n THR 116 N 4.77 0.00 -3.80 -0.71 -2.24 -0.50 -4.71 114.28 107.09 2kl2 n THR 116 Ca -0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 2kl2 n THR 116 Cb 0.44 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.59 -0.02 -2.29 4.28 -1.32 -1.03 -0.96 115.64 114.89 2kl2 s THR 117 Ca 0.00 0.08 0.24 0.00 -1.21 0.00 0.00 61.69 60.80 2kl2 s THR 117 Cb 0.00 -0.16 0.09 0.00 -1.51 0.00 0.00 72.50 70.92 2kl2 s THR 117 CO 0.00 0.03 1.20 0.00 -2.21 0.00 0.00 174.62 173.65 2kl2 n ALA 118 N 3.54 3.19 1.36 11.08 0.00 -1.26 -1.63 120.51 136.78 2kl2 n ALA 118 Ca -0.19 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 52.76 2kl2 n ALA 118 Cb 0.56 -0.84 0.41 0.00 0.00 0.00 0.00 19.45 19.58 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 0.30 0.00 -1.69 0.00 -2.24 -1.26 -5.02 114.28 104.37 2kl2 n THR 119 Ca 0.11 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2kl2 n THR 119 Cb 0.49 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2kl2 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kl2 n TYR 120 N 0.32 2.09 -2.03 4.78 0.18 -1.26 -4.93 117.16 116.30 2kl2 n TYR 120 Ca 0.17 0.54 -0.37 0.00 1.88 0.00 0.00 57.90 60.12 2kl2 n TYR 120 Cb 0.41 -2.38 0.02 0.00 -0.38 0.00 0.00 39.34 37.00 2kl2 n TYR 120 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kl2 s ALA 121 N -1.15 2.84 0.39 -3.48 0.00 -1.26 -4.92 121.76 114.18 2kl2 s ALA 121 Ca 0.58 1.10 0.34 0.00 0.00 0.00 0.00 51.96 53.98 2kl2 s ALA 121 Cb -0.55 -3.47 1.69 0.00 0.00 0.00 0.00 23.12 20.80 2kl2 s ALA 121 CO 0.60 -1.02 2.13 -1.00 0.00 0.00 0.00 175.76 176.47 2kl2 h PRO 122 N 1.61 0.00 0.00 0.00 0.13 -2.03 -0.95 132.00 130.76 2kl2 h PRO 122 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 2kl2 h PRO 122 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kl2 h PRO 122 CO 0.58 0.05 -0.45 1.05 -0.23 0.00 0.00 178.00 179.00 2kl2 h GLU 123 N 0.00 0.00 0.00 0.86 9.09 -2.03 -3.13 114.58 119.37 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 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2kl2 h GLU 123 CO 0.01 0.45 0.00 0.91 0.05 0.00 0.00 179.01 180.43 2kl2 n TRP 124 N -3.86 0.00 0.17 2.06 7.02 -0.36 -1.84 117.44 120.62 2kl2 n TRP 124 Ca -0.01 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.54 2kl2 n TRP 124 Cb 0.49 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.47 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 -0.00 -1.67 -3.37 115.31 109.28 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kl2 h LEU 125 CO 0.00 0.23 -1.33 2.22 -0.00 0.00 0.00 178.44 179.56 2kl2 n PHE 126 N -3.11 0.00 -1.65 1.13 1.16 -0.77 -5.00 117.46 109.23 2kl2 n PHE 126 Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.22 2kl2 n PHE 126 Cb 0.63 -0.22 0.05 0.00 -1.61 0.00 0.00 39.48 38.32 2kl2 n PHE 126 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2kl2 n LEU 127 N -1.78 4.18 -4.78 5.98 4.77 -1.23 -4.94 117.00 119.21 2kl2 n LEU 127 Ca -0.01 0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 56.49 2kl2 n LEU 127 Cb 0.32 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 2kl2 n LEU 127 CO 0.29 -1.44 0.77 -2.16 -1.33 0.00 0.00 177.39 173.51 2kl2 s PRO 128 N -2.75 3.85 0.57 3.23 0.04 -1.26 -4.93 135.00 133.76 2kl2 s PRO 128 Ca 0.74 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2kl2 s PRO 128 Cb -0.43 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 31.80 2kl2 s PRO 128 CO 0.48 -0.42 0.82 0.71 0.04 0.00 0.00 177.00 178.62 2kl2 s TYR 129 N -1.70 2.94 0.13 0.56 2.02 -1.26 -4.16 117.35 115.88 2kl2 s TYR 129 Ca 0.63 0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 57.44 2kl2 s TYR 129 Cb -0.23 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.52 2kl2 s TYR 129 CO 0.28 -0.91 0.14 -1.01 -1.57 0.00 0.00 175.55 172.48 2kl2 s HIS 130 N -2.85 0.59 -1.66 2.71 3.76 -0.96 -4.98 115.29 111.90 2kl2 s HIS 130 Ca 0.56 -0.98 0.15 0.00 -0.15 0.00 0.00 55.06 54.64 2kl2 s HIS 130 Cb -0.10 -0.28 0.07 0.00 1.11 0.00 0.00 32.58 33.38 2kl2 s HIS 130 CO 0.40 -0.58 0.91 0.39 -0.85 0.00 0.00 174.74 175.00 2kl2 n GLU 131 N -0.11 1.35 -3.75 1.40 1.02 -1.26 -4.50 120.64 114.78 2kl2 n GLU 131 Ca -0.08 -1.16 -0.07 0.00 -0.02 0.00 0.00 57.16 55.84 2kl2 n GLU 131 Cb 0.63 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.43 -0.29 -0.33 1.62 0.15 -1.26 -0.80 113.70 111.36 2kl2 s SER 132 Ca 0.15 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 2kl2 s SER 132 Cb 0.12 0.63 0.11 0.00 -1.71 0.00 0.00 66.02 65.17 2kl2 s SER 132 CO 0.25 -1.13 0.15 -0.47 1.20 0.00 0.00 173.24 173.23 2kl2 s TYR 133 N -3.68 1.19 -0.20 3.44 5.04 -1.22 -5.03 117.35 116.88 2kl2 s TYR 133 Ca 0.10 -1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 53.10 2kl2 s TYR 133 Cb -0.04 -1.38 0.10 0.00 0.35 0.00 0.00 41.96 41.00 2kl2 s TYR 133 CO 0.02 -0.84 0.36 -0.51 -1.34 0.00 0.00 175.55 173.23 2kl2 s ASP 134 N 1.47 0.19 0.45 4.32 1.01 -1.26 -4.15 116.67 118.70 2kl2 s ASP 134 Ca 0.12 0.51 0.22 0.00 0.71 0.00 0.00 52.55 54.11 2kl2 s ASP 134 Cb -0.19 1.06 1.21 0.00 1.01 0.00 0.00 42.92 46.01 2kl2 s ASP 134 CO -0.20 -0.27 1.64 0.28 0.21 0.00 0.00 175.17 176.83 2kl2 h SER 135 N 8.21 0.00 -2.16 0.27 0.02 -1.91 -3.07 113.55 114.90 2kl2 h SER 135 Ca -0.17 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.02 2kl2 h SER 135 Cb 1.13 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.37 2kl2 h SER 135 CO 0.20 0.00 0.71 -0.62 -1.14 0.00 0.00 176.83 175.98 2kl2 n GLU 136 N -2.41 4.45 -4.11 3.45 1.02 -1.26 -4.88 120.64 116.90 2kl2 n GLU 136 Ca -0.01 -4.44 -0.15 0.00 -0.02 0.00 0.00 57.16 52.54 2kl2 n GLU 136 Cb 0.25 -2.38 -0.05 0.00 -0.02 0.00 0.00 31.44 29.24 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 -1.70 1.51 0.00 0.62 0.00 -1.16 -5.07 107.32 101.51 2kl2 s GLY 137 Ca 0.44 -1.54 0.21 0.00 0.00 0.00 0.00 44.72 43.82 2kl2 s GLY 137 CO -0.20 -1.05 1.80 -1.55 0.00 0.00 0.00 173.10 172.10 2kl2 n PRO 138 N -0.54 1.00 -3.91 2.90 -0.04 -1.26 -4.33 135.00 128.82 2kl2 n PRO 138 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 2kl2 n PRO 138 Cb 0.62 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.62 2kl2 n PRO 138 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kl2 s HIS 139 N -2.00 3.31 -0.22 0.54 3.76 -1.26 -5.02 115.29 114.40 2kl2 s HIS 139 Ca 0.31 -3.23 -0.04 0.00 -0.15 0.00 0.00 55.06 51.95 2kl2 s HIS 139 Cb 0.14 -2.72 -0.14 0.00 1.11 0.00 0.00 32.58 30.97 2kl2 s HIS 139 CO 0.24 -0.65 2.35 0.41 -0.85 0.00 0.00 174.74 176.24 2kl2 n GLY 140 N 2.58 2.44 2.40 -2.22 0.00 -1.26 -4.33 105.19 104.80 2kl2 n GLY 140 Ca 0.12 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 3.02 0.06 -0.00 0.99 -0.00 -1.26 -4.95 117.00 114.87 2kl2 n LEU 141 Ca 0.31 -4.46 0.00 0.00 -0.00 0.00 0.00 56.01 51.86 2kl2 n LEU 141 Cb 0.46 0.69 -0.00 0.00 -0.00 0.00 0.00 43.42 44.57 2kl2 n LEU 141 CO 0.29 2.12 -0.41 0.54 -0.00 0.00 0.00 177.39 179.94 2kl2 n ARG 142 N 0.20 1.34 -3.64 1.47 5.12 -1.26 -4.85 116.66 115.04 2kl2 n ARG 142 Ca 0.17 -0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.99 2kl2 n ARG 142 Cb 0.70 -0.91 -0.07 0.00 -1.16 0.00 0.00 32.46 31.02 2kl2 n ARG 142 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2kl2 s TYR 143 N -1.83 -0.52 -0.66 -1.55 5.04 -1.23 -4.54 117.35 112.05 2kl2 s TYR 143 Ca -0.00 1.27 0.05 0.00 -2.44 0.00 0.00 57.07 55.95 2kl2 s TYR 143 Cb 0.00 0.35 0.20 0.00 0.35 0.00 0.00 41.96 42.86 2kl2 s TYR 143 CO 0.02 -0.25 0.58 0.09 -1.34 0.00 0.00 175.55 174.65 2kl2 n ASN 144 N 2.30 3.08 -0.05 4.32 4.13 -0.45 -4.93 115.26 123.66 2kl2 n ASN 144 Ca -0.13 -3.25 -0.15 0.00 1.68 0.00 0.00 54.58 52.73 2kl2 n ASN 144 Cb 0.56 -0.72 -0.13 0.00 -1.54 0.00 0.00 39.78 37.95 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2kl2 h PRO 145 N 4.91 0.04 -1.43 3.52 0.13 -1.98 -3.45 132.00 133.74 2kl2 h PRO 145 Ca 0.17 -0.07 -0.39 0.00 -0.87 0.00 0.00 66.00 64.84 2kl2 h PRO 145 Cb 0.73 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 31.61 2kl2 h PRO 145 CO 0.74 1.03 -0.78 -2.13 -0.23 0.00 0.00 178.00 176.63 2kl2 n ARG 146 N -4.54 0.53 0.08 0.86 0.63 -1.26 -4.86 116.66 108.10 2kl2 n ARG 146 Ca -0.11 -2.59 -0.21 0.00 -0.92 0.00 0.00 57.85 54.02 2kl2 n ARG 146 Cb 0.53 -1.46 -0.12 0.00 0.45 0.00 0.00 32.46 31.86 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 4.72 0.63 -0.08 -0.14 3.07 -1.97 -3.41 114.58 117.41 2kl2 h GLU 147 Ca 0.08 -0.79 -0.17 0.00 -0.50 0.00 0.00 59.36 57.98 2kl2 h GLU 147 Cb 0.98 0.25 -0.24 0.00 -0.84 0.00 0.00 28.75 28.89 2kl2 h GLU 147 CO 0.29 1.35 -0.60 0.09 -1.40 0.00 0.00 179.01 178.74 2kl2 n ASN 148 N -3.80 -0.22 -0.38 1.42 3.02 -1.26 -5.27 115.26 108.77 2kl2 n ASN 148 Ca -0.12 -2.06 0.05 0.00 -0.03 0.00 0.00 54.58 52.41 2kl2 n ASN 148 Cb 0.95 0.13 0.04 0.00 -0.61 0.00 0.00 39.78 40.29 2kl2 n ASN 148 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18