#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 0.62 0.29 3.04 0.00 -1.24 -5.09 121.76 119.38 2kl2 s ALA 2 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 2kl2 s ALA 2 Cb 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.73 2kl2 s ALA 2 CO 0.00 -1.50 0.99 -1.01 0.00 0.00 0.00 175.76 174.24 2kl2 s HIS 3 N 2.08 3.72 0.29 0.00 0.09 -1.26 -3.53 115.29 116.67 2kl2 s HIS 3 Ca 0.07 1.80 0.05 0.00 -0.00 0.00 0.00 55.06 56.98 2kl2 s HIS 3 Cb -0.16 -3.05 -0.06 0.00 -0.00 0.00 0.00 32.58 29.31 2kl2 s HIS 3 CO -0.28 0.02 -0.02 0.96 -0.00 0.00 0.00 174.74 175.43 2kl2 s ILE 4 N -1.37 1.46 -0.08 0.60 -4.36 -0.91 -2.39 121.20 114.16 2kl2 s ILE 4 Ca 0.47 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.82 2kl2 s ILE 4 Cb -0.25 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 40.92 2kl2 s ILE 4 CO 0.31 -0.21 -0.17 0.12 0.24 0.00 0.00 174.94 175.22 2kl2 s PHE 5 N -3.13 1.92 0.45 1.37 5.36 -1.10 -2.46 117.98 120.41 2kl2 s PHE 5 Ca 0.31 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.55 2kl2 s PHE 5 Cb 0.06 -1.33 -0.00 0.00 -0.34 0.00 0.00 43.02 41.40 2kl2 s PHE 5 CO 0.13 -0.32 0.68 0.54 -1.46 0.00 0.00 175.22 174.78 2kl2 s VAL 6 N 0.47 3.97 0.00 3.12 0.11 -0.29 -4.79 120.40 122.98 2kl2 s VAL 6 Ca -0.15 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 2kl2 s VAL 6 Cb -0.16 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2kl2 s VAL 6 CO 0.06 -0.33 0.00 -1.22 -3.33 0.00 0.00 175.10 170.27 2kl2 n TYR 7 N -2.09 0.00 0.00 1.54 4.01 -1.26 -3.09 117.16 116.27 2kl2 n TYR 7 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2kl2 n TYR 7 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kl2 n GLY 8 N 3.13 0.00 0.25 2.72 0.00 -1.26 -4.55 105.19 105.49 2kl2 n GLY 8 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.18 -0.35 2.61 1.35 -1.96 -2.63 112.91 113.11 2kl2 h THR 9 Ca 0.00 -0.77 -0.26 0.00 -0.55 0.00 0.00 66.41 64.83 2kl2 h THR 9 Cb 0.59 1.13 -0.36 0.00 -1.73 0.00 0.00 68.15 67.78 2kl2 h THR 9 CO 0.00 0.25 -0.96 0.18 -0.25 0.00 0.00 175.52 174.73 2kl2 n LEU 10 N -4.28 2.29 -0.02 3.87 4.32 -1.26 -3.06 117.00 118.85 2kl2 n LEU 10 Ca -0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 56.01 52.74 2kl2 n LEU 10 Cb 0.26 0.07 -0.07 0.00 -1.62 0.00 0.00 43.42 42.06 2kl2 n LEU 10 CO 0.38 1.18 -0.69 1.17 -1.22 0.00 0.00 177.39 178.22 2kl2 n LYS 11 N -0.42 1.51 0.00 3.23 0.00 -0.99 -4.99 118.16 116.50 2kl2 n LYS 11 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.43 2kl2 n LYS 11 Cb 0.91 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.73 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kl2 n ARG 12 N -2.06 0.00 0.00 1.64 5.12 -1.25 -5.01 116.66 115.09 2kl2 n ARG 12 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2kl2 n ARG 12 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 13 N 0.19 -0.21 3.48 -0.13 0.00 -1.26 -4.97 105.19 102.29 2kl2 n GLY 13 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 0.44 0.27 1.61 3.00 -1.26 -4.79 117.38 116.57 2kl2 n GLN 14 Ca 0.00 0.18 0.18 0.00 -0.01 0.00 0.00 57.00 57.36 2kl2 n GLN 14 Cb 0.17 -1.81 0.93 0.00 0.00 0.00 0.00 30.24 29.53 2kl2 n GLN 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2kl2 h PRO 15 N -0.05 0.00 0.00 -1.09 0.13 -1.95 -2.13 132.00 126.91 2kl2 h PRO 15 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2kl2 h PRO 15 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2kl2 h PRO 15 CO 0.45 0.00 -1.37 0.09 -0.23 0.00 0.00 178.00 176.94 2kl2 n ASN 16 N -2.78 0.85 -0.34 1.44 3.02 -1.26 -4.52 115.26 111.68 2kl2 n ASN 16 Ca -0.02 0.37 0.15 0.00 -0.03 0.00 0.00 54.58 55.05 2kl2 n ASN 16 Cb 0.09 0.20 0.35 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.98 -0.87 3.10 2.76 -1.30 -1.94 115.15 117.88 2kl2 h HIS 17 Ca -0.14 0.04 0.25 0.00 -2.20 0.00 0.00 60.37 58.31 2kl2 h HIS 17 Cb 1.51 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.16 2kl2 h HIS 17 CO 0.00 0.12 0.80 1.57 -1.30 0.00 0.00 177.93 179.12 2kl2 h LYS 18 N 0.63 0.00 -0.76 5.26 5.09 -1.82 -1.25 116.57 123.71 2kl2 h LYS 18 Ca 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 61.31 2kl2 h LYS 18 Cb 1.06 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.36 2kl2 h LYS 18 CO -0.44 0.00 0.36 -0.39 -2.09 0.00 0.00 179.45 176.88 2kl2 h VAL 19 N 0.00 1.25 0.00 0.07 -1.51 -1.70 -2.44 116.25 111.91 2kl2 h VAL 19 Ca 0.41 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2kl2 h VAL 19 Cb 2.02 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2kl2 h VAL 19 CO -0.00 0.30 0.00 1.15 -1.23 0.00 0.00 177.57 177.78 2kl2 n MET 20 N -4.37 0.20 0.10 5.19 0.00 -0.47 -2.37 117.12 115.40 2kl2 n MET 20 Ca 0.07 0.33 0.13 0.00 0.00 0.00 0.00 57.70 58.22 2kl2 n MET 20 Cb 0.14 -1.82 0.32 0.00 0.00 0.00 0.00 33.22 31.86 2kl2 n MET 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2kl2 h LEU 21 N 0.00 0.00 -8.17 3.17 3.38 -1.53 -3.39 115.31 108.76 2kl2 h LEU 21 Ca 0.00 -0.06 -0.63 0.00 0.09 0.00 0.00 57.88 57.29 2kl2 h LEU 21 Cb 0.49 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.10 2kl2 h LEU 21 CO 0.00 0.03 0.86 -1.81 0.09 0.00 0.00 178.44 177.61 2kl2 s ASP 22 N -4.60 6.34 0.27 -0.43 1.01 -1.00 -4.87 116.67 113.40 2kl2 s ASP 22 Ca 0.09 -1.25 0.21 0.00 0.71 0.00 0.00 52.55 52.30 2kl2 s ASP 22 Cb 0.12 -2.46 1.02 0.00 1.01 0.00 0.00 42.92 42.61 2kl2 s ASP 22 CO 0.64 -1.42 1.63 1.57 0.21 0.00 0.00 175.17 177.80 2kl2 n HIS 23 N 7.88 0.69 0.17 4.23 -0.00 -1.26 -0.43 115.22 126.51 2kl2 n HIS 23 Ca 0.11 0.33 0.03 0.00 -0.00 0.00 0.00 57.72 58.19 2kl2 n HIS 23 Cb 0.48 -1.03 0.29 0.00 -0.00 0.00 0.00 29.99 29.73 2kl2 n HIS 23 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2kl2 h SER 24 N 0.00 0.00 -0.04 0.26 0.02 -1.96 -2.72 113.55 109.12 2kl2 h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kl2 h SER 24 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2kl2 h SER 24 CO 0.00 0.45 0.00 1.41 -1.14 0.00 0.00 176.83 177.55 2kl2 n HIS 25 N -3.65 0.04 0.00 3.45 8.25 0.43 -5.02 115.22 118.72 2kl2 n HIS 25 Ca -0.01 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2kl2 n HIS 25 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 0.95 1.02 3.81 -1.41 0.00 -1.02 -3.37 105.19 105.17 2kl2 n GLY 26 Ca 0.17 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 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 4.35 -0.14 0.99 2.96 -1.26 -4.06 118.68 121.52 2kl2 s LEU 27 Ca 0.00 1.46 -0.05 0.00 -0.22 0.00 0.00 54.13 55.32 2kl2 s LEU 27 Cb 0.00 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.15 2kl2 s LEU 27 CO 0.00 0.03 0.28 0.00 -1.32 0.00 0.00 176.35 175.34 2kl2 s ALA 28 N -1.52 -0.63 0.05 5.97 0.00 -1.26 -2.38 121.76 122.00 2kl2 s ALA 28 Ca 0.43 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2kl2 s ALA 28 Cb -0.17 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2kl2 s ALA 28 CO 0.21 -0.65 -0.09 0.00 0.00 0.00 0.00 175.76 175.23 2kl2 s ALA 29 N 2.43 0.75 -0.33 0.00 0.00 -0.16 -4.97 121.76 119.49 2kl2 s ALA 29 Ca 0.01 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 2kl2 s ALA 29 Cb -0.12 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2kl2 s ALA 29 CO -0.09 0.00 1.88 0.12 0.00 0.00 0.00 175.76 177.67 2kl2 s PHE 30 N -1.56 1.68 -0.36 0.00 5.36 -1.26 -0.76 117.98 121.09 2kl2 s PHE 30 Ca -0.06 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 56.61 2kl2 s PHE 30 Cb -0.09 -4.08 0.45 0.00 -0.34 0.00 0.00 43.02 38.96 2kl2 s PHE 30 CO 0.00 -3.07 1.25 -2.13 -1.46 0.00 0.00 175.22 169.82 2kl2 n ARG 31 N 8.54 3.50 0.00 10.12 3.00 -0.49 -4.86 116.66 136.46 2kl2 n ARG 31 Ca 0.24 -4.16 0.00 0.00 -0.00 0.00 0.00 57.85 53.93 2kl2 n ARG 31 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.66 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 -0.68 1.45 3.72 5.14 0.00 -1.25 -4.00 105.19 109.57 2kl2 n GLY 32 Ca 0.45 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 2kl2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kl2 s ARG 33 N -1.50 2.59 0.29 1.61 0.52 -0.31 -2.01 118.95 120.15 2kl2 s ARG 33 Ca 0.00 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 53.96 2kl2 s ARG 33 Cb 0.00 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 33.05 2kl2 s ARG 33 CO 0.00 0.46 0.76 0.20 0.02 0.00 0.00 175.30 176.74 2kl2 s GLY 34 N -3.10 0.02 -0.06 -3.53 0.00 -1.20 -0.87 107.32 98.58 2kl2 s GLY 34 Ca 0.29 -0.39 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 2kl2 s GLY 34 CO 0.21 -0.08 0.14 0.00 0.00 0.00 0.00 173.10 173.37 2kl2 s THR 36 N 1.06 3.18 -0.45 0.00 -4.23 -0.90 0.08 115.64 114.38 2kl2 s THR 36 Ca -0.08 0.16 0.24 0.00 -1.18 0.00 0.00 61.69 60.83 2kl2 s THR 36 Cb -0.10 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.78 2kl2 s THR 36 CO -0.05 -0.21 1.65 -0.37 -0.54 0.00 0.00 174.62 175.09 2kl2 h VAL 37 N 7.14 0.00 -2.54 2.29 -1.51 -1.90 -3.30 116.25 116.43 2kl2 h VAL 37 Ca -0.34 -0.91 -0.56 0.00 -1.23 0.00 0.00 66.70 63.67 2kl2 h VAL 37 Cb 1.22 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 2kl2 h VAL 37 CO 1.05 0.00 1.19 -1.61 -1.23 0.00 0.00 177.57 176.96 2kl2 s GLU 38 N -3.22 3.88 0.18 5.19 2.02 -1.26 -4.92 118.70 120.58 2kl2 s GLU 38 Ca 0.07 2.05 -0.33 0.00 0.02 0.00 0.00 54.97 56.77 2kl2 s GLU 38 Cb 0.06 -4.09 -0.15 0.00 0.10 0.00 0.00 34.13 30.05 2kl2 s GLU 38 CO 0.65 -1.21 1.38 0.43 0.02 0.00 0.00 175.26 176.54 2kl2 n SER 39 N 8.33 2.31 -4.14 -0.19 7.64 -1.26 -4.49 113.62 121.82 2kl2 n SER 39 Ca 0.20 1.12 -0.12 0.00 1.01 0.00 0.00 58.87 61.09 2kl2 n SER 39 Cb 0.44 -1.34 -0.11 0.00 -1.01 0.00 0.00 64.21 62.20 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 0.25 0.84 -0.90 1.43 0.08 0.06 -0.29 117.98 119.45 2kl2 s PHE 40 Ca 0.75 -0.76 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 2kl2 s PHE 40 Cb -0.76 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2kl2 s PHE 40 CO 0.47 -0.11 1.85 -1.25 -0.10 0.00 0.00 175.22 176.07 2kl2 s PRO 41 N -3.04 2.74 -0.49 0.24 0.04 -0.73 -1.96 135.00 131.78 2kl2 s PRO 41 Ca 0.05 -0.36 -0.22 0.00 0.04 0.00 0.00 61.00 60.51 2kl2 s PRO 41 Cb -0.00 -5.05 0.04 0.00 0.04 0.00 0.00 34.50 29.53 2kl2 s PRO 41 CO -0.03 -3.12 0.75 -1.17 0.04 0.00 0.00 177.00 173.46 2kl2 s LEU 42 N 9.13 4.48 0.36 -3.56 2.96 -1.26 -1.30 118.68 129.49 2kl2 s LEU 42 Ca 0.65 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2kl2 s LEU 42 Cb -0.06 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 2kl2 s LEU 42 CO -0.00 -0.96 0.44 0.68 -1.32 0.00 0.00 176.35 175.19 2kl2 s VAL 43 N 3.16 3.62 -0.13 1.68 -7.23 -1.14 -2.16 120.40 118.20 2kl2 s VAL 43 Ca 0.24 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2kl2 s VAL 43 Cb -0.15 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 2kl2 s VAL 43 CO 0.18 -0.11 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.08 2kl2 s ILE 44 N -2.26 2.96 0.03 -0.62 -1.09 -1.26 -1.76 121.20 117.19 2kl2 s ILE 44 Ca 0.46 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2kl2 s ILE 44 Cb -0.08 -2.24 -0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2kl2 s ILE 44 CO 0.30 0.53 0.04 0.00 -1.23 0.00 0.00 174.94 174.57 2kl2 n ALA 45 N 3.56 0.03 -0.53 9.38 0.00 -0.63 -4.91 120.51 127.41 2kl2 n ALA 45 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2kl2 n ALA 45 Cb 0.53 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2kl2 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl2 n GLY 46 N -0.06 -0.08 0.14 0.00 0.00 -1.26 -0.93 105.19 103.01 2kl2 n GLY 46 Ca 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 45.11 2kl2 n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kl2 n GLU 47 N 0.00 0.92 -0.22 1.61 4.71 -1.26 -4.56 120.64 121.84 2kl2 n GLU 47 Ca 0.00 -0.29 0.06 0.00 -0.01 0.00 0.00 57.16 56.92 2kl2 n GLU 47 Cb 0.00 -1.40 0.09 0.00 -1.01 0.00 0.00 31.44 29.11 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2kl2 n HIS 48 N -1.01 0.00 -3.29 -0.32 8.25 -1.26 -5.00 115.22 112.59 2kl2 n HIS 48 Ca 0.05 -0.62 -0.11 0.00 -0.26 0.00 0.00 57.72 56.78 2kl2 n HIS 48 Cb 0.34 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.89 -6.81 -4.25 0.41 3.02 -1.25 -2.01 115.26 103.48 2kl2 n ASN 49 Ca 0.10 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.76 2kl2 n ASN 49 Cb 0.65 -4.50 -0.04 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.14 5.01 0.59 2.41 1.01 -0.11 -4.18 121.20 122.79 2kl2 s ILE 50 Ca 0.16 -2.76 -0.19 0.00 0.00 0.00 0.00 60.65 57.86 2kl2 s ILE 50 Cb -0.04 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2kl2 s ILE 50 CO 0.78 -1.00 1.19 -2.16 0.00 0.00 0.00 174.94 173.75 2kl2 s PRO 51 N -0.09 3.04 -0.13 2.79 0.04 -1.26 -1.61 135.00 137.78 2kl2 s PRO 51 Ca 0.19 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 2kl2 s PRO 51 Cb -0.13 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2kl2 s PRO 51 CO -0.07 -1.13 -0.08 -1.58 0.04 0.00 0.00 177.00 174.17 2kl2 s TRP 52 N -1.67 1.62 -0.59 0.56 0.52 -0.72 -4.92 118.94 113.73 2kl2 s TRP 52 Ca 0.76 -0.88 -0.27 0.00 0.02 0.00 0.00 56.10 55.73 2kl2 s TRP 52 Cb -0.28 -1.30 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2kl2 s TRP 52 CO 0.32 -0.56 1.66 -1.17 0.02 0.00 0.00 176.95 177.23 2kl2 s LEU 53 N 1.66 3.32 0.39 2.99 0.20 -1.26 -2.86 118.68 123.12 2kl2 s LEU 53 Ca 0.04 0.32 -0.23 0.00 0.69 0.00 0.00 54.13 54.95 2kl2 s LEU 53 Cb -0.13 -2.77 -0.10 0.00 -0.43 0.00 0.00 46.19 42.76 2kl2 s LEU 53 CO -0.08 -2.07 0.97 -0.76 -0.29 0.00 0.00 176.35 174.12 2kl2 s LEU 54 N 7.63 4.12 -1.07 -0.68 1.43 -0.42 -2.17 118.68 127.53 2kl2 s LEU 54 Ca 0.60 1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 55.36 2kl2 s LEU 54 Cb -0.13 -4.27 0.13 0.00 0.03 0.00 0.00 46.19 41.95 2kl2 s LEU 54 CO 0.22 -0.31 1.33 -0.47 0.23 0.00 0.00 176.35 177.36 2kl2 s TYR 55 N -1.85 3.12 -0.37 0.29 5.04 -0.70 -4.27 117.35 118.61 2kl2 s TYR 55 Ca 0.57 -1.57 0.02 0.00 -2.44 0.00 0.00 57.07 53.65 2kl2 s TYR 55 Cb -0.16 -4.40 0.15 0.00 0.35 0.00 0.00 41.96 37.90 2kl2 s TYR 55 CO 0.20 -1.56 0.28 -1.17 -1.34 0.00 0.00 175.55 171.96 2kl2 s LEU 56 N 2.83 0.94 0.65 6.97 2.96 -1.26 -5.01 118.68 126.77 2kl2 s LEU 56 Ca 0.40 -2.38 -0.18 0.00 -0.22 0.00 0.00 54.13 51.75 2kl2 s LEU 56 Cb -0.03 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 2kl2 s LEU 56 CO -0.05 -0.26 1.19 -0.81 -1.32 0.00 0.00 176.35 175.10 2kl2 n PRO 57 N 3.68 0.97 -0.77 0.98 -0.04 -1.26 -3.32 135.00 135.25 2kl2 n PRO 57 Ca 0.17 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2kl2 n PRO 57 Cb 0.41 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 1.02 1.43 2.88 0.55 0.00 0.60 -4.95 105.19 106.72 2kl2 n GLY 58 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.01 0.83 0.23 1.61 2.36 -1.16 -4.89 119.74 118.71 2kl2 s LYS 59 Ca 0.00 -0.08 0.00 0.00 -2.55 0.00 0.00 55.97 53.34 2kl2 s LYS 59 Cb 0.00 -0.89 0.00 0.00 -1.05 0.00 0.00 37.83 35.89 2kl2 s LYS 59 CO 0.00 -0.12 0.00 0.41 1.55 0.00 0.00 175.35 177.19 2kl2 n GLY 60 N 4.24 0.72 3.25 5.54 0.00 -1.26 -1.78 105.19 115.90 2kl2 n GLY 60 Ca -0.22 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 1.09 -0.47 1.61 3.76 -0.83 -4.58 115.29 115.87 2kl2 s HIS 61 Ca 0.00 -1.32 -0.28 0.00 -0.15 0.00 0.00 55.06 53.31 2kl2 s HIS 61 Cb 0.00 -0.48 -0.00 0.00 1.11 0.00 0.00 32.58 33.21 2kl2 s HIS 61 CO 0.00 -0.69 1.61 0.00 -0.85 0.00 0.00 174.74 174.81 2kl2 s VAL 63 N 6.76 3.70 0.86 0.00 1.01 -1.24 -4.63 120.40 126.85 2kl2 s VAL 63 Ca 0.65 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 2kl2 s VAL 63 Cb -0.15 -4.66 0.11 0.00 0.00 0.00 0.00 36.38 31.67 2kl2 s VAL 63 CO 0.28 -1.55 1.09 0.42 0.00 0.00 0.00 175.10 175.35 2kl2 s THR 64 N 6.27 2.83 -0.85 3.92 -4.23 -1.14 -2.11 115.64 120.33 2kl2 s THR 64 Ca 0.44 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 2kl2 s THR 64 Cb -0.09 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2kl2 s THR 64 CO 0.18 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2kl2 n GLY 65 N -1.30 -0.55 3.10 3.99 0.00 -0.97 -4.68 105.19 104.79 2kl2 n GLY 65 Ca 0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.34 0.65 -0.17 1.61 2.12 -1.18 -3.26 118.70 118.13 2kl2 s GLU 66 Ca 0.00 -1.24 -0.01 0.00 0.36 0.00 0.00 54.97 54.08 2kl2 s GLU 66 Cb 0.00 0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 2kl2 s GLU 66 CO 0.00 -0.10 -0.10 0.42 -0.54 0.00 0.00 175.26 174.94 2kl2 s ILE 67 N -3.87 3.03 -0.21 -3.70 1.01 -0.85 -1.14 121.20 115.47 2kl2 s ILE 67 Ca 0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 2kl2 s ILE 67 Cb 0.08 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2kl2 s ILE 67 CO -0.09 0.49 -0.08 -0.31 0.00 0.00 0.00 174.94 174.94 2kl2 s TYR 68 N 0.95 2.92 -0.17 3.97 2.02 -1.03 -1.40 117.35 124.61 2kl2 s TYR 68 Ca -0.02 -1.11 -0.31 0.00 -0.37 0.00 0.00 57.07 55.26 2kl2 s TYR 68 Cb -0.15 -2.06 -0.09 0.00 -0.40 0.00 0.00 41.96 39.27 2kl2 s TYR 68 CO -0.01 -0.61 2.10 -1.91 -1.57 0.00 0.00 175.55 173.55 2kl2 n GLU 69 N 4.75 2.00 -4.32 -0.62 2.13 0.06 -2.14 120.64 122.50 2kl2 n GLU 69 Ca -0.19 0.64 -0.26 0.00 0.66 0.00 0.00 57.16 58.01 2kl2 n GLU 69 Cb 0.51 -2.91 -0.09 0.00 0.27 0.00 0.00 31.44 29.21 2kl2 n GLU 69 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kl2 s VAL 70 N 6.48 3.06 0.76 6.31 -7.23 -1.23 -0.98 120.40 127.57 2kl2 s VAL 70 Ca 0.99 -1.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.30 2kl2 s VAL 70 Cb -0.54 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 33.98 2kl2 s VAL 70 CO 0.43 -0.16 1.07 -1.81 -0.31 0.00 0.00 175.10 174.32 2kl2 s ASP 71 N -2.94 4.37 0.17 4.85 1.01 -1.00 -3.73 116.67 119.40 2kl2 s ASP 71 Ca 0.25 0.24 -0.16 0.00 0.71 0.00 0.00 52.55 53.59 2kl2 s ASP 71 Cb -0.08 -0.71 0.12 0.00 1.01 0.00 0.00 42.92 43.25 2kl2 s ASP 71 CO 0.15 -1.88 1.67 -0.33 0.21 0.00 0.00 175.17 174.98 2kl2 h GLU 72 N -0.79 0.01 -0.96 8.23 4.39 -1.93 -0.70 114.58 122.83 2kl2 h GLU 72 Ca -0.43 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.35 2kl2 h GLU 72 Cb 1.29 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 2kl2 h GLU 72 CO 0.51 0.01 0.62 0.37 -1.16 0.00 0.00 179.01 179.36 2kl2 h GLN 73 N 0.01 1.03 -0.03 2.33 5.75 -1.94 0.24 115.11 122.50 2kl2 h GLN 73 Ca 0.21 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2kl2 h GLN 73 Cb 0.32 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2kl2 h GLN 73 CO -0.44 0.68 -0.09 1.98 -2.65 0.00 0.00 178.83 178.32 2kl2 h MET 74 N 1.06 0.11 0.00 1.69 4.05 -1.37 0.59 114.93 121.07 2kl2 h MET 74 Ca 0.42 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 2kl2 h MET 74 Cb 0.26 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2kl2 h MET 74 CO -0.18 0.70 0.00 -0.11 0.23 0.00 0.00 176.91 177.55 2kl2 n LEU 75 N -4.69 0.45 -0.07 3.39 0.00 -0.34 -0.47 117.00 115.27 2kl2 n LEU 75 Ca -0.08 0.67 -0.07 0.00 0.00 0.00 0.00 56.01 56.53 2kl2 n LEU 75 Cb 0.36 -0.69 -0.04 0.00 0.00 0.00 0.00 43.42 43.05 2kl2 n LEU 75 CO 0.36 -0.72 -0.21 0.03 0.00 0.00 0.00 177.39 176.84 2kl2 h ARG 76 N 0.00 0.00 -0.67 1.96 3.08 -0.84 -3.34 114.38 114.56 2kl2 h ARG 76 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2kl2 h ARG 76 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 2kl2 h ARG 76 CO 0.00 0.28 0.28 0.35 -1.07 0.00 0.00 179.97 179.81 2kl2 h PHE 77 N -1.00 0.49 0.00 3.04 3.57 -0.32 -0.24 116.94 122.48 2kl2 h PHE 77 Ca -0.06 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2kl2 h PHE 77 Cb 0.56 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2kl2 h PHE 77 CO -0.05 0.13 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.85 2kl2 h LEU 78 N 0.47 0.00 -0.01 0.59 3.38 -1.01 -1.29 115.31 117.44 2kl2 h LEU 78 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2kl2 h LEU 78 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kl2 h LEU 78 CO -0.32 0.23 0.00 -0.67 0.09 0.00 0.00 178.44 177.77 2kl2 n ASP 79 N -3.96 0.01 0.00 -0.43 2.03 -0.11 -1.17 116.55 112.92 2kl2 n ASP 79 Ca -0.02 -1.66 0.00 0.00 0.52 0.00 0.00 54.79 53.63 2kl2 n ASP 79 Cb 0.31 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.49 0.35 -0.09 1.67 2.03 -0.52 -4.43 116.55 115.07 2kl2 n ASP 80 Ca 0.00 -0.68 -0.21 0.00 0.52 0.00 0.00 54.79 54.42 2kl2 n ASP 80 Cb 0.00 0.32 -0.12 0.00 -0.72 0.00 0.00 41.12 40.60 2kl2 n ASP 80 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2kl2 h PHE 81 N 0.00 0.06 0.00 -0.67 -5.15 -0.80 -3.36 116.94 107.02 2kl2 h PHE 81 Ca 0.00 -0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.73 2kl2 h PHE 81 Cb 0.09 -0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.25 2kl2 h PHE 81 CO 0.00 1.43 0.00 0.39 -2.00 0.00 0.00 178.31 178.13 2kl2 n GLU 82 N -4.38 0.74 -1.49 6.09 -0.58 -1.00 -4.87 120.64 115.15 2kl2 n GLU 82 Ca -0.28 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.29 2kl2 n GLU 82 Cb 0.68 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 30.02 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 -0.96 -4.94 -4.62 1.62 2.03 -1.26 -4.37 116.55 104.05 2kl2 n ASP 83 Ca 0.16 0.43 -0.33 0.00 0.52 0.00 0.00 54.79 55.57 2kl2 n ASP 83 Cb 0.07 -4.30 0.13 0.00 -0.72 0.00 0.00 41.12 36.31 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 -3.07 0.34 0.40 0.00 -0.04 -1.26 -4.77 135.00 126.60 2kl2 n PRO 85 Ca 0.12 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.50 2kl2 n PRO 85 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kl2 h SER 86 N 0.00 -0.91 0.21 3.54 0.02 -1.70 -3.37 113.55 111.33 2kl2 h SER 86 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2kl2 h SER 86 Cb 0.14 0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2kl2 h SER 86 CO 0.00 -0.63 -0.10 0.24 -1.14 0.00 0.00 176.83 175.20 2kl2 h MET 87 N -1.03 -0.27 -5.45 3.45 2.86 -1.65 -3.48 114.93 109.36 2kl2 h MET 87 Ca -0.10 0.02 -0.65 0.00 -2.06 0.00 0.00 59.70 56.91 2kl2 h MET 87 Cb 0.80 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.39 2kl2 h MET 87 CO 0.16 -0.09 -0.54 0.71 1.06 0.00 0.00 176.91 178.21 2kl2 s TYR 88 N -2.64 2.15 0.00 -0.22 2.02 -1.26 -4.89 117.35 112.51 2kl2 s TYR 88 Ca -0.06 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 2kl2 s TYR 88 Cb 0.00 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 2kl2 s TYR 88 CO 0.20 0.28 0.00 1.04 -1.57 0.00 0.00 175.55 175.50 2kl2 n GLN 89 N -1.17 3.46 -1.86 -0.62 3.00 -0.30 -4.10 117.38 115.80 2kl2 n GLN 89 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 2kl2 n GLN 89 Cb 0.67 -0.53 0.00 0.00 0.00 0.00 0.00 30.24 30.38 2kl2 n GLN 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2kl2 n ARG 90 N -0.77 -5.08 -4.28 -1.09 0.00 -1.24 -4.97 116.66 99.24 2kl2 n ARG 90 Ca 0.00 3.64 -0.15 0.00 -0.00 0.00 0.00 57.85 61.34 2kl2 n ARG 90 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 32.46 28.41 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 -1.23 0.61 -0.21 5.15 2.01 -0.14 -4.87 115.64 116.95 2kl2 s THR 91 Ca 0.00 -1.99 -0.06 0.00 0.31 0.00 0.00 61.69 59.95 2kl2 s THR 91 Cb 0.00 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 2kl2 s THR 91 CO 0.00 -0.22 0.03 0.00 -0.69 0.00 0.00 174.62 173.74 2kl2 s ALA 92 N -3.71 3.13 0.00 7.40 0.00 -1.26 -0.88 121.76 126.44 2kl2 s ALA 92 Ca 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kl2 s ALA 92 Cb 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2kl2 s ALA 92 CO 0.09 -0.21 0.00 1.47 0.00 0.00 0.00 175.76 177.11 2kl2 n LEU 93 N 4.36 0.00 -3.98 0.00 -0.00 -1.11 -4.98 117.00 111.29 2kl2 n LEU 93 Ca -0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.64 2kl2 n LEU 93 Cb 0.52 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.78 2kl2 n LEU 93 CO 0.32 0.00 -0.43 -1.58 -0.00 0.00 0.00 177.39 175.70 2kl2 s GLN 94 N -0.35 0.99 -0.25 1.47 2.00 -1.25 -4.01 119.66 118.26 2kl2 s GLN 94 Ca 0.00 -0.27 -0.07 0.00 -2.00 0.00 0.00 55.36 53.02 2kl2 s GLN 94 Cb 0.00 -0.92 0.12 0.00 0.80 0.00 0.00 33.01 33.01 2kl2 s GLN 94 CO 0.00 0.07 0.50 0.54 -0.50 0.00 0.00 175.29 175.90 2kl2 s VAL 95 N 0.36 -0.79 0.23 1.34 0.11 -0.59 -3.48 120.40 117.58 2kl2 s VAL 95 Ca -0.06 0.07 -0.32 0.00 -2.93 0.00 0.00 61.98 58.74 2kl2 s VAL 95 Cb -0.10 -0.82 -0.13 0.00 -1.53 0.00 0.00 36.38 33.80 2kl2 s VAL 95 CO 0.01 0.02 1.58 1.67 -3.33 0.00 0.00 175.10 175.04 2kl2 n GLN 96 N 5.41 2.43 -2.08 1.54 7.27 0.11 0.76 117.38 132.82 2kl2 n GLN 96 Ca -0.08 0.87 -0.39 0.00 0.07 0.00 0.00 57.00 57.47 2kl2 n GLN 96 Cb 0.50 -2.64 -0.03 0.00 2.41 0.00 0.00 30.24 30.48 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 0.49 3.42 0.20 1.69 1.01 0.47 -2.21 120.40 125.47 2kl2 s VAL 97 Ca 0.71 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2kl2 s VAL 97 Cb -0.58 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 2kl2 s VAL 97 CO 0.42 -0.89 1.50 0.25 0.00 0.00 0.00 175.10 176.39 2kl2 h LEU 98 N 15.66 0.42 -7.00 3.92 7.12 -1.31 -3.47 115.31 130.65 2kl2 h LEU 98 Ca -0.27 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.49 2kl2 h LEU 98 Cb 1.15 -0.12 -0.21 0.00 -0.53 0.00 0.00 40.66 40.95 2kl2 h LEU 98 CO 1.19 0.95 0.34 -0.70 -0.13 0.00 0.00 178.44 180.10 2kl2 s GLU 99 N -3.75 0.84 -0.06 1.25 2.12 -1.03 -4.91 118.70 113.16 2kl2 s GLU 99 Ca -0.05 0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.56 2kl2 s GLU 99 Cb 0.11 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.90 2kl2 s GLU 99 CO 0.82 -0.26 -0.18 -0.46 -0.54 0.00 0.00 175.26 174.65 2kl2 s TRP 100 N -1.07 1.89 -0.30 5.30 -0.11 -1.26 -1.16 118.94 122.22 2kl2 s TRP 100 Ca -0.06 -0.65 0.03 0.00 1.22 0.00 0.00 56.10 56.63 2kl2 s TRP 100 Cb -0.00 -1.29 0.09 0.00 -1.50 0.00 0.00 33.47 30.76 2kl2 s TRP 100 CO 0.06 -0.26 0.01 -1.21 -4.62 0.00 0.00 176.95 170.93 2kl2 s GLU 101 N 0.27 1.55 0.00 5.86 2.02 -1.26 -4.89 118.70 122.25 2kl2 s GLU 101 Ca -0.10 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.35 2kl2 s GLU 101 Cb -0.14 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2kl2 s GLU 101 CO 0.04 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.91 2kl2 n GLY 102 N 4.43 0.50 3.40 -1.39 0.00 -1.26 -4.53 105.19 106.35 2kl2 n GLY 102 Ca -0.03 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.34 2kl2 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl2 n ASP 103 N 0.13 -2.00 -0.99 1.61 -0.08 -1.26 -4.73 116.55 109.23 2kl2 n ASP 103 Ca 0.00 0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 2kl2 n ASP 103 Cb 0.00 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.29 2kl2 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kl2 n GLY 104 N 1.74 0.45 3.29 0.27 0.00 -1.26 -4.99 105.19 104.69 2kl2 n GLY 104 Ca 0.08 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.29 6.53 0.33 1.61 2.15 -1.26 -4.98 116.67 118.76 2kl2 s ASP 105 Ca 0.00 -2.82 0.26 0.00 0.43 0.00 0.00 52.55 50.42 2kl2 s ASP 105 Cb 0.00 -2.14 1.02 0.00 -0.30 0.00 0.00 42.92 41.50 2kl2 s ASP 105 CO 0.00 -0.50 1.78 1.55 -0.17 0.00 0.00 175.17 177.82 2kl2 h PRO 106 N 7.52 0.00 0.00 4.34 0.13 -1.94 -3.50 132.00 138.55 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 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2kl2 h PRO 106 CO 0.76 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2kl2 n GLY 107 N 0.23 -1.01 0.21 1.56 0.00 -1.26 -4.85 105.19 100.08 2kl2 n GLY 107 Ca 0.02 -2.14 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 -5.08 1.61 3.32 -1.96 -3.43 116.42 110.88 2kl2 h ASP 108 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2kl2 h ASP 108 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2kl2 h ASP 108 CO 0.00 0.00 -0.23 -0.94 -1.72 0.00 0.00 179.24 176.35 2kl2 s SER 109 N -4.95 -0.10 0.16 6.45 1.04 -1.26 -0.39 113.70 114.65 2kl2 s SER 109 Ca 0.02 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.20 2kl2 s SER 109 Cb 0.09 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2kl2 s SER 109 CO 0.45 -0.70 -0.14 0.68 0.98 0.00 0.00 173.24 174.51 2kl2 s VAL 110 N -3.12 1.53 -1.05 5.02 -7.23 0.23 -4.77 120.40 111.00 2kl2 s VAL 110 Ca -0.01 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 2kl2 s VAL 110 Cb 0.01 -1.81 0.25 0.00 0.56 0.00 0.00 36.38 35.39 2kl2 s VAL 110 CO -0.07 -0.51 1.06 -1.58 -0.31 0.00 0.00 175.10 173.69 2kl2 s GLN 111 N -3.19 4.04 0.83 4.82 0.74 -1.26 -1.54 119.66 124.10 2kl2 s GLN 111 Ca 0.16 -2.94 -0.12 0.00 0.05 0.00 0.00 55.36 52.51 2kl2 s GLN 111 Cb -0.02 -4.58 0.09 0.00 1.10 0.00 0.00 33.01 29.59 2kl2 s GLN 111 CO 0.04 -1.32 1.11 0.00 -0.55 0.00 0.00 175.29 174.58 2kl2 s PHE 113 N -3.20 3.85 -0.06 0.00 0.08 -1.00 -2.73 117.98 114.91 2kl2 s PHE 113 Ca 0.61 1.66 0.01 0.00 0.12 0.00 0.00 56.93 59.33 2kl2 s PHE 113 Cb -0.14 -2.87 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2kl2 s PHE 113 CO 0.54 0.38 -0.07 0.08 -0.10 0.00 0.00 175.22 176.04 2kl2 s VAL 114 N -0.61 0.78 -0.05 -0.44 1.01 -0.06 -2.69 120.40 118.35 2kl2 s VAL 114 Ca 0.39 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2kl2 s VAL 114 Cb -0.23 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 2kl2 s VAL 114 CO 0.27 0.29 1.84 -0.31 0.00 0.00 0.00 175.10 177.19 2kl2 s TYR 115 N 1.03 1.61 0.42 5.22 2.02 -1.26 -0.97 117.35 125.42 2kl2 s TYR 115 Ca -0.09 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 2kl2 s TYR 115 Cb -0.14 -4.07 -0.02 0.00 -0.40 0.00 0.00 41.96 37.33 2kl2 s TYR 115 CO -0.00 -4.53 0.15 0.95 -1.57 0.00 0.00 175.55 170.55 2kl2 s THR 116 N 4.75 0.48 0.12 -0.71 -4.23 -1.26 -4.70 115.64 110.09 2kl2 s THR 116 Ca 0.82 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2kl2 s THR 116 Cb -0.36 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 2kl2 s THR 116 CO 0.35 0.00 -0.13 0.28 -0.54 0.00 0.00 174.62 174.58 2kl2 s THR 117 N -3.19 1.23 0.00 3.99 -1.32 -0.92 -1.16 115.64 114.27 2kl2 s THR 117 Ca 0.23 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 2kl2 s THR 117 Cb 0.01 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 2kl2 s THR 117 CO 0.16 -0.48 0.19 0.00 -2.21 0.00 0.00 174.62 172.28 2kl2 n ALA 118 N 0.48 2.18 -3.28 11.08 0.00 -1.26 -1.72 120.51 127.98 2kl2 n ALA 118 Ca -0.15 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 2kl2 n ALA 118 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.62 0.72 0.12 0.00 5.66 -1.26 -4.94 114.28 113.96 2kl2 n THR 119 Ca 0.00 -4.58 0.10 0.00 -3.05 0.00 0.00 64.05 56.52 2kl2 n THR 119 Cb 0.00 -1.97 0.27 0.00 -1.55 0.00 0.00 70.33 67.08 2kl2 n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kl2 n TYR 120 N 1.11 0.76 -0.90 1.09 0.18 -1.26 -5.07 117.16 113.06 2kl2 n TYR 120 Ca 0.25 -0.38 0.11 0.00 1.88 0.00 0.00 57.90 59.76 2kl2 n TYR 120 Cb 0.48 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.38 2kl2 n TYR 120 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kl2 n ALA 121 N 1.29 -2.38 0.08 -3.48 0.00 -1.26 -4.32 120.51 110.45 2kl2 n ALA 121 Ca 0.20 0.57 -0.01 0.00 0.00 0.00 0.00 53.44 54.20 2kl2 n ALA 121 Cb 0.52 -0.98 0.27 0.00 0.00 0.00 0.00 19.45 19.27 2kl2 n ALA 121 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kl2 h PRO 122 N -0.89 0.30 -0.82 0.00 0.13 -2.03 -3.25 132.00 125.45 2kl2 h PRO 122 Ca -0.11 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2kl2 h PRO 122 Cb 0.87 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 2kl2 h PRO 122 CO 0.05 0.56 0.47 1.05 -0.23 0.00 0.00 178.00 179.90 2kl2 h GLU 123 N 0.27 1.12 0.00 0.86 9.09 -2.03 -2.93 114.58 120.95 2kl2 h GLU 123 Ca 0.04 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2kl2 h GLU 123 Cb 0.63 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 2kl2 h GLU 123 CO 0.05 0.80 0.00 0.91 0.05 0.00 0.00 179.01 180.81 2kl2 n TRP 124 N -4.36 0.01 0.61 2.06 8.01 -1.23 -1.81 117.44 120.73 2kl2 n TRP 124 Ca 0.09 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.39 2kl2 n TRP 124 Cb 0.08 -0.51 0.44 0.00 -2.01 0.00 0.00 31.31 29.31 2kl2 n TRP 124 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2kl2 n LEU 125 N -1.51 0.29 -0.06 -0.99 7.99 -1.11 -3.25 117.00 118.37 2kl2 n LEU 125 Ca 0.05 0.55 0.05 0.00 -0.01 0.00 0.00 56.01 56.66 2kl2 n LEU 125 Cb 0.26 -0.49 -0.05 0.00 -0.11 0.00 0.00 43.42 43.03 2kl2 n LEU 125 CO 0.21 -0.26 0.03 0.49 -1.51 0.00 0.00 177.39 176.34 2kl2 n PHE 126 N -1.80 0.00 -2.22 -1.77 3.72 -0.75 -5.01 117.46 109.62 2kl2 n PHE 126 Ca 0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.11 2kl2 n PHE 126 Cb 0.26 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2kl2 n PHE 126 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kl2 s LEU 127 N -2.33 3.65 0.68 4.37 1.43 -1.20 -5.04 118.68 120.25 2kl2 s LEU 127 Ca 0.05 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 2kl2 s LEU 127 Cb 0.08 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 2kl2 s LEU 127 CO 0.40 -1.10 1.05 -2.16 0.23 0.00 0.00 176.35 174.78 2kl2 s PRO 128 N -3.64 3.06 0.47 1.29 0.04 -1.26 -4.99 135.00 129.96 2kl2 s PRO 128 Ca 0.67 0.93 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2kl2 s PRO 128 Cb -0.18 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2kl2 s PRO 128 CO 0.30 -1.01 0.55 0.71 0.04 0.00 0.00 177.00 177.59 2kl2 s TYR 129 N -3.04 2.34 0.29 0.56 2.02 -1.26 -4.52 117.35 113.74 2kl2 s TYR 129 Ca 0.58 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 2kl2 s TYR 129 Cb -0.14 -2.24 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2kl2 s TYR 129 CO 0.54 -0.51 0.09 -1.01 -1.57 0.00 0.00 175.55 173.09 2kl2 s HIS 130 N -2.50 1.69 -0.22 2.71 3.76 -0.92 -5.00 115.29 114.81 2kl2 s HIS 130 Ca 0.53 -1.14 0.09 0.00 -0.15 0.00 0.00 55.06 54.39 2kl2 s HIS 130 Cb -0.06 -1.03 -0.12 0.00 1.11 0.00 0.00 32.58 32.48 2kl2 s HIS 130 CO 0.32 -0.24 0.29 -1.91 -0.85 0.00 0.00 174.74 172.34 2kl2 n GLU 131 N -0.57 2.23 -3.93 1.40 2.13 -1.26 -4.18 120.64 116.46 2kl2 n GLU 131 Ca -0.01 -0.04 -0.08 0.00 0.66 0.00 0.00 57.16 57.69 2kl2 n GLU 131 Cb 0.66 -1.06 -0.04 0.00 0.27 0.00 0.00 31.44 31.27 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2kl2 s SER 132 N -2.42 -0.17 0.00 4.31 0.01 -1.26 -2.86 113.70 111.31 2kl2 s SER 132 Ca 0.00 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2kl2 s SER 132 Cb 0.06 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.94 2kl2 s SER 132 CO 0.37 -1.22 0.00 0.00 0.41 0.00 0.00 173.24 172.80 2kl2 n TYR 133 N -0.41 -0.11 -0.10 2.43 9.36 -1.26 -4.93 117.16 122.14 2kl2 n TYR 133 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 2kl2 n TYR 133 Cb 0.61 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 2kl2 n TYR 133 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2kl2 n ASP 134 N -0.12 -2.00 -0.17 2.98 -0.08 -1.26 -4.33 116.55 111.57 2kl2 n ASP 134 Ca 0.00 0.07 0.25 0.00 -1.51 0.00 0.00 54.79 53.60 2kl2 n ASP 134 Cb 0.00 0.67 0.66 0.00 2.34 0.00 0.00 41.12 44.79 2kl2 n ASP 134 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2kl2 h SER 135 N 0.14 0.11 0.60 1.67 0.87 -1.95 0.69 113.55 115.67 2kl2 h SER 135 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kl2 h SER 135 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2kl2 h SER 135 CO 0.00 0.04 0.00 -0.33 -0.53 0.00 0.00 176.83 176.01 2kl2 h GLU 136 N 0.11 0.00 -7.23 2.24 5.08 -1.99 -3.45 114.58 109.34 2kl2 h GLU 136 Ca 0.41 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.29 2kl2 h GLU 136 Cb 1.46 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.76 2kl2 h GLU 136 CO -0.05 0.00 0.38 0.20 -1.00 0.00 0.00 179.01 178.54 2kl2 s GLY 137 N -3.68 1.98 0.50 -3.84 0.00 0.23 -4.97 107.32 97.54 2kl2 s GLY 137 Ca 0.02 0.20 0.32 0.00 0.00 0.00 0.00 44.72 45.26 2kl2 s GLY 137 CO 0.38 0.49 1.93 -0.56 0.00 0.00 0.00 173.10 175.35 2kl2 h PRO 138 N 0.41 0.00 -5.62 2.90 0.13 -1.87 -3.41 132.00 124.54 2kl2 h PRO 138 Ca -0.46 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.30 2kl2 h PRO 138 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2kl2 h PRO 138 CO 0.60 0.00 1.11 -1.01 -0.23 0.00 0.00 178.00 178.47 2kl2 s HIS 139 N -3.60 2.03 -0.08 1.56 3.76 -1.26 -4.86 115.29 112.84 2kl2 s HIS 139 Ca 0.02 0.22 -0.26 0.00 -0.15 0.00 0.00 55.06 54.89 2kl2 s HIS 139 Cb 0.09 -4.13 -0.31 0.00 1.11 0.00 0.00 32.58 29.33 2kl2 s HIS 139 CO 0.53 -1.48 1.56 0.41 -0.85 0.00 0.00 174.74 174.91 2kl2 n GLY 140 N 6.15 0.86 2.66 -2.22 0.00 -1.26 -3.64 105.19 107.74 2kl2 n GLY 140 Ca 0.43 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 8.36 -1.12 0.00 0.99 -0.00 -1.26 -5.18 117.00 118.78 2kl2 n LEU 141 Ca 0.42 -1.71 0.00 0.00 -0.00 0.00 0.00 56.01 54.72 2kl2 n LEU 141 Cb 0.37 0.98 0.00 0.00 -0.00 0.00 0.00 43.42 44.76 2kl2 n LEU 141 CO 1.10 1.46 0.00 0.54 -0.00 0.00 0.00 177.39 180.49 2kl2 n ARG 142 N 0.28 0.81 -1.78 1.47 3.00 -1.24 -4.95 116.66 114.26 2kl2 n ARG 142 Ca -0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.31 2kl2 n ARG 142 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.19 2kl2 n ARG 142 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2kl2 s TYR 143 N 0.22 2.68 -0.81 -1.55 5.04 -1.26 -4.67 117.35 117.01 2kl2 s TYR 143 Ca 0.00 0.90 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2kl2 s TYR 143 Cb 0.00 -4.07 0.21 0.00 0.35 0.00 0.00 41.96 38.45 2kl2 s TYR 143 CO 0.00 -3.44 0.69 0.09 -1.34 0.00 0.00 175.55 171.55 2kl2 n ASN 144 N 1.61 3.78 -0.02 4.32 4.13 -0.85 -4.87 115.26 123.35 2kl2 n ASN 144 Ca 0.06 -3.21 -0.13 0.00 1.68 0.00 0.00 54.58 52.98 2kl2 n ASN 144 Cb 0.38 -0.90 -0.10 0.00 -1.54 0.00 0.00 39.78 37.62 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 5.53 0.08 0.00 3.52 0.13 -1.92 -3.44 132.00 135.90 2kl2 h PRO 145 Ca 0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2kl2 h PRO 145 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kl2 h PRO 145 CO 0.82 0.57 0.00 -2.13 -0.23 0.00 0.00 178.00 177.03 2kl2 n ARG 146 N -4.78 0.00 0.05 0.86 0.63 -1.26 -4.78 116.66 107.39 2kl2 n ARG 146 Ca -0.08 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.88 2kl2 n ARG 146 Cb 0.29 0.00 0.42 0.00 0.45 0.00 0.00 32.46 33.62 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 0.41 0.00 -0.14 5.08 -1.91 -3.35 114.58 114.68 2kl2 h GLU 147 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kl2 h GLU 147 Cb 0.79 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2kl2 h GLU 147 CO 0.00 0.35 0.00 0.27 -1.00 0.00 0.00 179.01 178.63 2kl2 n ASN 148 N -4.41 0.00 0.00 1.42 0.23 -1.26 -5.21 115.26 106.03 2kl2 n ASN 148 Ca 0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 2kl2 n ASN 148 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19