#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 0.00 -1.27 -5.12 0.00 -1.26 -5.04 120.51 107.83 2kl2 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kl2 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kl2 n ALA 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kl2 n HIS 3 N 0.00 -2.62 -2.33 0.00 -0.00 -1.26 -4.58 115.22 104.43 2kl2 n HIS 3 Ca 0.00 1.54 -0.25 0.00 -0.00 0.00 0.00 57.72 59.02 2kl2 n HIS 3 Cb 0.00 -2.86 0.15 0.00 -0.00 0.00 0.00 29.99 27.28 2kl2 n HIS 3 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kl2 n ILE 4 N 0.84 0.00 -4.58 1.59 -5.35 -1.12 -1.29 119.36 109.45 2kl2 n ILE 4 Ca 0.00 -1.31 -0.22 0.00 -0.27 0.00 0.00 62.75 60.95 2kl2 n ILE 4 Cb 0.00 -1.14 -0.15 0.00 -1.74 0.00 0.00 39.64 36.61 2kl2 n ILE 4 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2kl2 s PHE 5 N -3.30 1.22 -0.27 4.28 5.36 -0.11 -3.71 117.98 121.44 2kl2 s PHE 5 Ca 0.68 -0.25 -0.08 0.00 -0.96 0.00 0.00 56.93 56.32 2kl2 s PHE 5 Cb -0.03 -0.78 -0.02 0.00 -0.34 0.00 0.00 43.02 41.86 2kl2 s PHE 5 CO 0.46 -0.01 0.09 0.54 -1.46 0.00 0.00 175.22 174.84 2kl2 s VAL 6 N -0.40 4.32 -0.02 3.12 0.11 -0.83 -4.71 120.40 122.00 2kl2 s VAL 6 Ca 0.05 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 2kl2 s VAL 6 Cb -0.06 -3.10 -0.06 0.00 -1.53 0.00 0.00 36.38 31.63 2kl2 s VAL 6 CO -0.00 0.23 0.62 0.10 -3.33 0.00 0.00 175.10 172.72 2kl2 h TYR 7 N 8.26 -0.36 0.00 1.54 -0.00 -1.89 -3.20 116.97 121.32 2kl2 h TYR 7 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.36 2kl2 h TYR 7 Cb 1.16 0.12 0.00 0.00 0.00 0.00 0.00 36.73 38.01 2kl2 h TYR 7 CO 0.65 -0.22 0.00 0.41 -0.00 0.00 0.00 178.16 179.00 2kl2 n GLY 8 N 0.36 0.00 0.08 0.10 0.00 -1.26 -4.58 105.19 99.89 2kl2 n GLY 8 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.96 -1.61 2.61 1.35 -1.94 -3.31 112.91 110.97 2kl2 h THR 9 Ca 0.00 -2.65 -0.46 0.00 -0.55 0.00 0.00 66.41 62.75 2kl2 h THR 9 Cb 0.00 2.43 -0.40 0.00 -1.73 0.00 0.00 68.15 68.44 2kl2 h THR 9 CO 0.00 0.55 -1.10 0.18 -0.25 0.00 0.00 175.52 174.90 2kl2 n LEU 10 N -3.10 1.78 0.16 3.87 4.32 -1.26 -3.29 117.00 119.48 2kl2 n LEU 10 Ca -0.09 -4.61 0.00 0.00 -0.02 0.00 0.00 56.01 51.28 2kl2 n LEU 10 Cb 0.95 0.37 0.00 0.00 -1.62 0.00 0.00 43.42 43.12 2kl2 n LEU 10 CO 0.45 2.02 0.00 1.17 -1.22 0.00 0.00 177.39 179.81 2kl2 n LYS 11 N 0.03 0.00 0.00 3.23 0.00 -1.26 -4.95 118.16 115.21 2kl2 n LYS 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.52 2kl2 n LYS 11 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.72 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 -3.13 0.00 -0.37 1.64 5.12 -1.25 -4.92 116.66 113.76 2kl2 n ARG 12 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2kl2 n ARG 12 Cb 0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 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 1.66 0.94 3.75 -0.13 0.00 -1.26 -5.07 105.19 105.08 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 1.20 0.00 0.00 0.00 173.32 174.52 2kl2 s GLN 14 N 0.00 3.00 0.61 1.61 1.11 -1.26 -4.76 119.66 119.97 2kl2 s GLN 14 Ca 0.00 2.04 0.39 0.00 0.01 0.00 0.00 55.36 57.80 2kl2 s GLN 14 Cb 0.00 -2.08 1.93 0.00 -1.01 0.00 0.00 33.01 31.86 2kl2 s GLN 14 CO 0.00 -1.24 2.20 -1.00 0.01 0.00 0.00 175.29 175.25 2kl2 h PRO 15 N 1.12 0.00 0.00 2.91 0.13 -1.94 -3.21 132.00 131.01 2kl2 h PRO 15 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kl2 h PRO 15 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kl2 h PRO 15 CO 0.56 0.01 -0.37 -0.91 -0.23 0.00 0.00 178.00 177.05 2kl2 h ASN 16 N 0.00 0.00 -1.07 1.44 2.35 -1.91 -3.36 115.58 113.04 2kl2 h ASN 16 Ca -0.00 -0.09 0.29 0.00 -0.55 0.00 0.00 56.30 55.95 2kl2 h ASN 16 Cb 0.23 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 2kl2 h ASN 16 CO 0.00 0.04 0.71 -0.74 -1.65 0.00 0.00 177.43 175.80 2kl2 h HIS 17 N 0.00 0.45 -1.13 1.19 2.76 -1.55 -1.21 115.15 115.66 2kl2 h HIS 17 Ca 0.00 0.02 0.32 0.00 -2.20 0.00 0.00 60.37 58.51 2kl2 h HIS 17 Cb 0.81 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.59 2kl2 h HIS 17 CO 0.00 0.04 0.80 1.57 -1.30 0.00 0.00 177.93 179.04 2kl2 h LYS 18 N 0.27 0.03 0.00 5.26 5.09 -1.88 -0.12 116.57 125.22 2kl2 h LYS 18 Ca 0.58 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.31 2kl2 h LYS 18 Cb 1.71 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 34.03 2kl2 h LYS 18 CO -0.21 0.02 -0.04 -0.39 -2.09 0.00 0.00 179.45 176.74 2kl2 h VAL 19 N 0.03 0.36 0.00 0.07 -1.51 -1.55 -1.25 116.25 112.41 2kl2 h VAL 19 Ca 0.54 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 2kl2 h VAL 19 Cb 2.11 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 2kl2 h VAL 19 CO -0.03 0.04 -0.34 0.23 -1.23 0.00 0.00 177.57 176.24 2kl2 n MET 20 N -3.52 0.06 -0.05 5.19 2.81 -0.06 -3.88 117.12 117.67 2kl2 n MET 20 Ca -0.02 0.02 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 2kl2 n MET 20 Cb 0.15 -1.54 -0.13 0.00 -0.71 0.00 0.00 33.22 30.98 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2kl2 n LEU 21 N -1.63 2.55 -4.57 4.03 4.77 -0.51 -4.14 117.00 117.49 2kl2 n LEU 21 Ca 0.06 0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 2kl2 n LEU 21 Cb 0.36 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 2kl2 n LEU 21 CO 0.33 0.84 1.63 -1.81 -1.33 0.00 0.00 177.39 177.05 2kl2 s ASP 22 N -6.73 5.95 0.58 -1.43 1.01 -0.97 -4.83 116.67 110.26 2kl2 s ASP 22 Ca -0.25 -1.72 0.30 0.00 0.71 0.00 0.00 52.55 51.59 2kl2 s ASP 22 Cb 0.08 -2.58 1.40 0.00 1.01 0.00 0.00 42.92 42.83 2kl2 s ASP 22 CO 0.71 -2.07 1.77 -0.74 0.21 0.00 0.00 175.17 175.05 2kl2 h HIS 23 N 9.28 0.00 -0.82 4.23 -0.00 -1.82 0.13 115.15 126.15 2kl2 h HIS 23 Ca 0.27 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.78 2kl2 h HIS 23 Cb 0.94 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.29 2kl2 h HIS 23 CO 1.30 0.00 0.54 1.03 -0.00 0.00 0.00 177.93 180.80 2kl2 h SER 24 N 0.00 0.56 -0.12 3.26 0.87 -1.93 -0.77 113.55 115.41 2kl2 h SER 24 Ca 0.35 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 2kl2 h SER 24 Cb 1.75 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2kl2 h SER 24 CO -0.00 0.29 -0.07 0.45 -0.53 0.00 0.00 176.83 176.97 2kl2 h HIS 25 N 0.60 0.31 0.00 2.24 3.86 -1.02 -3.50 115.15 117.63 2kl2 h HIS 25 Ca 0.41 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2kl2 h HIS 25 Cb 0.72 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2kl2 h HIS 25 CO -0.00 0.61 0.00 0.41 0.86 0.00 0.00 177.93 179.81 2kl2 n GLY 26 N 0.03 -0.55 3.77 2.45 0.00 -0.29 -4.06 105.19 106.54 2kl2 n GLY 26 Ca -0.06 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 4.57 0.05 0.99 2.96 -1.26 -4.12 118.68 121.87 2kl2 s LEU 27 Ca 0.00 1.61 -0.04 0.00 -0.22 0.00 0.00 54.13 55.48 2kl2 s LEU 27 Cb 0.00 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 2kl2 s LEU 27 CO 0.00 0.18 0.04 0.00 -1.32 0.00 0.00 176.35 175.26 2kl2 s ALA 28 N -0.99 0.19 -0.20 5.97 0.00 -1.26 -3.00 121.76 122.48 2kl2 s ALA 28 Ca 0.36 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 2kl2 s ALA 28 Cb -0.23 0.30 0.13 0.00 0.00 0.00 0.00 23.12 23.32 2kl2 s ALA 28 CO 0.26 -0.37 1.04 0.00 0.00 0.00 0.00 175.76 176.68 2kl2 s ALA 29 N -3.39 -1.96 -0.47 0.00 0.00 -1.26 -5.01 121.76 109.67 2kl2 s ALA 29 Ca 0.02 1.67 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 2kl2 s ALA 29 Cb 0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 2kl2 s ALA 29 CO -0.08 -0.28 1.59 0.12 0.00 0.00 0.00 175.76 177.11 2kl2 s PHE 30 N -0.78 2.08 -0.89 0.00 5.36 -1.26 -2.73 117.98 119.75 2kl2 s PHE 30 Ca 0.00 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 2kl2 s PHE 30 Cb -0.02 -4.25 0.30 0.00 -0.34 0.00 0.00 43.02 38.72 2kl2 s PHE 30 CO -0.01 -2.29 1.31 -2.13 -1.46 0.00 0.00 175.22 170.63 2kl2 n ARG 31 N 8.54 4.05 -0.01 10.12 3.00 -0.34 -4.92 116.66 137.11 2kl2 n ARG 31 Ca 0.18 -4.66 0.00 0.00 -0.00 0.00 0.00 57.85 53.37 2kl2 n ARG 31 Cb 0.49 -2.40 -0.00 0.00 0.00 0.00 0.00 32.46 30.54 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 -1.97 3.50 5.14 0.00 -1.26 -4.53 105.19 106.75 2kl2 n GLY 32 Ca 0.32 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.06 1.72 0.16 1.61 0.52 0.24 -2.17 118.95 120.97 2kl2 s ARG 33 Ca 0.00 -1.89 -0.23 0.00 -0.52 0.00 0.00 55.73 53.09 2kl2 s ARG 33 Cb 0.00 -1.46 0.08 0.00 0.52 0.00 0.00 34.95 34.09 2kl2 s ARG 33 CO 0.00 0.08 1.05 0.20 0.02 0.00 0.00 175.30 176.65 2kl2 s GLY 34 N -3.55 0.04 0.03 -3.53 0.00 -1.23 -0.60 107.32 98.48 2kl2 s GLY 34 Ca 0.32 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.69 2kl2 s GLY 34 CO 0.15 2.26 0.26 0.00 0.00 0.00 0.00 173.10 175.76 2kl2 s THR 36 N -2.17 4.37 0.19 0.00 -4.23 -0.92 -0.24 115.64 112.64 2kl2 s THR 36 Ca -0.08 1.11 0.09 0.00 -1.18 0.00 0.00 61.69 61.63 2kl2 s THR 36 Cb -0.03 -4.50 -0.10 0.00 1.34 0.00 0.00 72.50 69.21 2kl2 s THR 36 CO -0.01 -0.85 1.46 -0.37 -0.54 0.00 0.00 174.62 174.31 2kl2 h VAL 37 N 6.09 1.53 -2.17 2.29 -1.51 -1.92 -3.35 116.25 117.21 2kl2 h VAL 37 Ca -0.23 -2.69 -0.57 0.00 -1.23 0.00 0.00 66.70 61.98 2kl2 h VAL 37 Cb 1.07 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2kl2 h VAL 37 CO 1.07 0.76 1.38 -1.61 -1.23 0.00 0.00 177.57 177.94 2kl2 s GLU 38 N -3.19 3.52 0.44 5.19 2.02 -1.26 -4.90 118.70 120.52 2kl2 s GLU 38 Ca -0.00 2.21 -0.25 0.00 0.02 0.00 0.00 54.97 56.95 2kl2 s GLU 38 Cb 0.11 -4.28 -0.08 0.00 0.10 0.00 0.00 34.13 29.98 2kl2 s GLU 38 CO 0.79 -1.66 1.27 -1.12 0.02 0.00 0.00 175.26 174.56 2kl2 s SER 39 N 6.72 6.13 0.04 -0.19 0.01 -1.26 -4.67 113.70 120.48 2kl2 s SER 39 Ca 0.95 2.58 -0.08 0.00 1.31 0.00 0.00 55.95 60.71 2kl2 s SER 39 Cb -0.36 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.24 2kl2 s SER 39 CO 0.37 -0.97 0.15 -0.36 0.41 0.00 0.00 173.24 172.85 2kl2 s PHE 40 N -1.34 0.12 -0.61 2.43 0.08 0.41 -0.26 117.98 118.80 2kl2 s PHE 40 Ca 0.61 -0.37 -0.25 0.00 0.12 0.00 0.00 56.93 57.03 2kl2 s PHE 40 Cb -0.36 -0.08 0.04 0.00 -0.57 0.00 0.00 43.02 42.06 2kl2 s PHE 40 CO 0.45 -0.40 1.06 -1.25 -0.10 0.00 0.00 175.22 174.97 2kl2 s PRO 41 N -2.60 3.30 -0.44 0.24 0.04 -1.03 -1.84 135.00 132.68 2kl2 s PRO 41 Ca -0.05 -0.26 -0.10 0.00 0.04 0.00 0.00 61.00 60.63 2kl2 s PRO 41 Cb -0.01 -4.10 0.09 0.00 0.04 0.00 0.00 34.50 30.52 2kl2 s PRO 41 CO -0.04 -1.70 0.31 -1.17 0.04 0.00 0.00 177.00 174.43 2kl2 s LEU 42 N 4.49 5.40 -0.09 -3.56 0.20 -1.26 -3.13 118.68 120.72 2kl2 s LEU 42 Ca 0.32 -1.62 0.02 0.00 0.69 0.00 0.00 54.13 53.54 2kl2 s LEU 42 Cb -0.11 -2.02 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 2kl2 s LEU 42 CO 0.18 -0.61 -0.16 0.68 -0.29 0.00 0.00 176.35 176.15 2kl2 s VAL 43 N 1.43 1.53 -0.78 1.68 -7.23 -1.24 -2.31 120.40 113.48 2kl2 s VAL 43 Ca 0.04 -0.69 -0.18 0.00 -1.81 0.00 0.00 61.98 59.34 2kl2 s VAL 43 Cb -0.24 -1.37 0.14 0.00 0.56 0.00 0.00 36.38 35.46 2kl2 s VAL 43 CO 0.02 0.44 0.89 -0.63 -0.31 0.00 0.00 175.10 175.51 2kl2 s ILE 44 N 0.74 4.95 0.62 -0.62 1.01 -1.26 -3.11 121.20 123.52 2kl2 s ILE 44 Ca -0.12 -1.54 0.06 0.00 0.00 0.00 0.00 60.65 59.06 2kl2 s ILE 44 Cb -0.16 -4.61 0.11 0.00 0.01 0.00 0.00 42.46 37.82 2kl2 s ILE 44 CO 0.02 -1.27 0.86 0.00 0.00 0.00 0.00 174.94 174.55 2kl2 n ALA 45 N 5.92 0.87 0.00 9.38 0.00 -1.25 -4.92 120.51 130.52 2kl2 n ALA 45 Ca 0.09 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.51 2kl2 n ALA 45 Cb 0.46 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.16 -1.74 0.06 0.00 0.00 -1.26 -0.96 105.19 99.12 2kl2 n GLY 46 Ca 0.16 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.97 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kl2 n GLU 47 N -0.47 0.10 -0.40 1.61 2.13 -1.26 -1.19 120.64 121.16 2kl2 n GLU 47 Ca 0.00 0.28 0.08 0.00 0.66 0.00 0.00 57.16 58.18 2kl2 n GLU 47 Cb 0.00 -1.68 0.26 0.00 0.27 0.00 0.00 31.44 30.29 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kl2 n HIS 48 N -1.87 0.97 -3.05 4.31 8.25 -1.26 -5.00 115.22 117.57 2kl2 n HIS 48 Ca 0.04 -0.62 -0.05 0.00 -0.26 0.00 0.00 57.72 56.82 2kl2 n HIS 48 Cb 0.24 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 0.60 -7.63 -4.13 0.41 4.13 -0.33 -1.30 115.26 107.00 2kl2 n ASN 49 Ca 0.20 0.08 -0.38 0.00 1.68 0.00 0.00 54.58 56.16 2kl2 n ASN 49 Cb 0.71 -5.04 -0.07 0.00 -1.54 0.00 0.00 39.78 33.84 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kl2 s ILE 50 N -2.82 4.22 0.15 2.41 1.01 -0.14 -3.69 121.20 122.33 2kl2 s ILE 50 Ca 0.09 -3.22 -0.32 0.00 0.00 0.00 0.00 60.65 57.21 2kl2 s ILE 50 Cb -0.02 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 2kl2 s ILE 50 CO 0.77 -0.97 1.80 -0.81 0.00 0.00 0.00 174.94 175.73 2kl2 n PRO 51 N 3.13 2.77 -3.95 2.79 -0.04 -1.26 -3.75 135.00 134.70 2kl2 n PRO 51 Ca 0.14 1.01 -0.35 0.00 -0.04 0.00 0.00 63.50 64.25 2kl2 n PRO 51 Cb 0.39 -2.88 -0.11 0.00 -0.04 0.00 0.00 33.50 30.85 2kl2 n PRO 51 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kl2 s TRP 52 N 2.27 3.17 -0.20 0.54 0.52 -1.18 -5.00 118.94 119.06 2kl2 s TRP 52 Ca 0.80 -0.12 -0.18 0.00 0.02 0.00 0.00 56.10 56.62 2kl2 s TRP 52 Cb -0.49 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 2kl2 s TRP 52 CO 0.36 -0.05 0.50 -1.17 0.02 0.00 0.00 176.95 176.61 2kl2 s LEU 53 N 0.84 4.15 0.13 2.99 1.98 -1.26 -3.73 118.68 123.78 2kl2 s LEU 53 Ca 0.03 0.65 -0.05 0.00 -2.89 0.00 0.00 54.13 51.87 2kl2 s LEU 53 Cb -0.14 -2.68 -0.06 0.00 0.66 0.00 0.00 46.19 43.98 2kl2 s LEU 53 CO 0.02 -0.16 0.37 -0.76 -1.89 0.00 0.00 176.35 173.93 2kl2 s LEU 54 N 1.58 4.28 -0.98 -0.68 2.01 -1.18 -2.66 118.68 121.04 2kl2 s LEU 54 Ca 0.23 0.61 -0.24 0.00 0.01 0.00 0.00 54.13 54.75 2kl2 s LEU 54 Cb -0.15 -3.24 0.02 0.00 0.01 0.00 0.00 46.19 42.82 2kl2 s LEU 54 CO 0.09 0.08 1.62 -0.47 1.01 0.00 0.00 176.35 178.68 2kl2 s TYR 55 N -1.61 2.29 -0.41 0.29 6.14 -1.23 -4.24 117.35 118.58 2kl2 s TYR 55 Ca 0.39 -0.34 0.03 0.00 0.64 0.00 0.00 57.07 57.79 2kl2 s TYR 55 Cb -0.12 -4.48 0.16 0.00 0.42 0.00 0.00 41.96 37.94 2kl2 s TYR 55 CO 0.23 -1.87 0.31 -1.17 0.64 0.00 0.00 175.55 173.69 2kl2 s LEU 56 N 6.70 1.47 0.27 6.97 0.20 -1.26 -4.97 118.68 128.06 2kl2 s LEU 56 Ca 0.54 -2.86 -0.30 0.00 0.69 0.00 0.00 54.13 52.20 2kl2 s LEU 56 Cb -0.02 -0.49 -0.11 0.00 -0.43 0.00 0.00 46.19 45.14 2kl2 s LEU 56 CO -0.07 -0.21 1.56 -2.16 -0.29 0.00 0.00 176.35 175.18 2kl2 s PRO 57 N 0.27 4.16 0.00 0.98 0.04 -1.26 -2.77 135.00 136.42 2kl2 s PRO 57 Ca 0.28 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2kl2 s PRO 57 Cb -0.04 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2kl2 s PRO 57 CO -0.14 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2kl2 n GLY 58 N 2.30 0.93 3.10 0.56 0.00 0.64 -4.95 105.19 107.77 2kl2 n GLY 58 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.40 1.46 0.00 1.61 2.47 -1.08 -4.76 119.74 119.04 2kl2 s LYS 59 Ca 0.00 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 53.90 2kl2 s LYS 59 Cb 0.00 -1.31 0.00 0.00 -1.46 0.00 0.00 37.83 35.06 2kl2 s LYS 59 CO 0.00 0.22 0.00 0.41 0.16 0.00 0.00 175.35 176.14 2kl2 n GLY 60 N 3.11 0.99 3.84 5.54 0.00 -1.26 -2.47 105.19 114.94 2kl2 n GLY 60 Ca -0.17 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 2kl2 n GLY 60 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kl2 s HIS 61 N 0.00 -0.10 -0.57 1.61 -3.43 -0.76 -4.76 115.29 107.27 2kl2 s HIS 61 Ca 0.00 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 53.59 2kl2 s HIS 61 Cb 0.00 0.73 0.00 0.00 -1.43 0.00 0.00 32.58 31.88 2kl2 s HIS 61 CO 0.00 -1.27 1.59 0.00 -2.00 0.00 0.00 174.74 173.06 2kl2 s VAL 63 N 7.15 3.99 0.67 0.00 1.01 -1.25 -4.80 120.40 127.16 2kl2 s VAL 63 Ca 0.58 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 2kl2 s VAL 63 Cb -0.12 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.75 2kl2 s VAL 63 CO 0.23 -1.09 1.17 0.42 0.00 0.00 0.00 175.10 175.84 2kl2 s THR 64 N 5.18 2.71 0.00 3.92 -4.23 -1.21 -2.17 115.64 119.84 2kl2 s THR 64 Ca 0.50 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2kl2 s THR 64 Cb -0.09 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2kl2 s THR 64 CO 0.29 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2kl2 n GLY 65 N 0.11 1.52 3.31 3.99 0.00 -0.84 -4.64 105.19 108.63 2kl2 n GLY 65 Ca 0.12 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 1.25 1.18 -0.16 1.61 2.02 -1.21 -3.57 118.70 119.81 2kl2 s GLU 66 Ca 0.00 -1.34 -0.01 0.00 0.02 0.00 0.00 54.97 53.64 2kl2 s GLU 66 Cb 0.00 0.34 -0.01 0.00 0.10 0.00 0.00 34.13 34.56 2kl2 s GLU 66 CO 0.00 -0.41 -0.11 0.42 0.02 0.00 0.00 175.26 175.18 2kl2 s ILE 67 N -4.03 3.11 -0.23 -1.63 1.01 -0.92 -1.96 121.20 116.54 2kl2 s ILE 67 Ca 0.24 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2kl2 s ILE 67 Cb 0.04 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.21 2kl2 s ILE 67 CO 0.04 0.50 -0.11 -0.31 0.00 0.00 0.00 174.94 175.06 2kl2 s TYR 68 N 0.70 3.03 -1.12 3.97 2.02 -1.24 -1.19 117.35 123.50 2kl2 s TYR 68 Ca -0.05 -1.74 -0.24 0.00 -0.37 0.00 0.00 57.07 54.67 2kl2 s TYR 68 Cb -0.15 -1.99 -0.11 0.00 -0.40 0.00 0.00 41.96 39.31 2kl2 s TYR 68 CO 0.02 -0.78 1.98 -2.00 -1.57 0.00 0.00 175.55 173.20 2kl2 s GLU 69 N 1.27 2.23 0.49 -0.62 2.12 -1.10 -2.80 118.70 120.28 2kl2 s GLU 69 Ca -0.00 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.31 2kl2 s GLU 69 Cb -0.16 -5.16 -0.07 0.00 0.26 0.00 0.00 34.13 29.00 2kl2 s GLU 69 CO -0.07 -4.22 0.90 0.14 -0.54 0.00 0.00 175.26 171.47 2kl2 s VAL 70 N 12.17 4.67 0.65 3.70 -7.23 -1.26 -4.23 120.40 128.86 2kl2 s VAL 70 Ca 0.72 0.90 0.01 0.00 -1.81 0.00 0.00 61.98 61.79 2kl2 s VAL 70 Cb -0.03 -3.75 0.13 0.00 0.56 0.00 0.00 36.38 33.29 2kl2 s VAL 70 CO 0.12 -0.71 0.89 -0.90 -0.31 0.00 0.00 175.10 174.20 2kl2 n ASP 71 N -1.69 1.29 -0.17 4.85 5.75 -1.16 -4.54 116.55 120.88 2kl2 n ASP 71 Ca 0.05 -2.07 -0.07 0.00 -0.01 0.00 0.00 54.79 52.69 2kl2 n ASP 71 Cb 0.54 -0.57 0.02 0.00 -1.03 0.00 0.00 41.12 40.08 2kl2 n ASP 71 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2kl2 h GLU 72 N 0.00 0.66 -0.86 0.11 4.39 -1.98 -0.54 114.58 116.36 2kl2 h GLU 72 Ca -0.29 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.38 2kl2 h GLU 72 Cb 1.11 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 2kl2 h GLU 72 CO 0.32 0.44 0.57 0.37 -1.16 0.00 0.00 179.01 179.55 2kl2 h GLN 73 N 0.68 1.12 0.13 2.33 5.75 -1.95 0.26 115.11 123.42 2kl2 h GLN 73 Ca 0.19 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 2kl2 h GLN 73 Cb -0.07 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.23 2kl2 h GLN 73 CO -0.05 0.74 -0.06 1.98 -2.65 0.00 0.00 178.83 178.79 2kl2 h MET 74 N 1.16 -0.17 0.00 1.69 4.05 -1.67 0.10 114.93 120.09 2kl2 h MET 74 Ca 0.32 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 2kl2 h MET 74 Cb -0.12 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2kl2 h MET 74 CO -0.07 0.13 -0.01 1.25 0.23 0.00 0.00 176.91 178.44 2kl2 h LEU 75 N -0.47 0.00 0.09 3.39 6.46 -0.75 0.69 115.31 124.73 2kl2 h LEU 75 Ca -0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2kl2 h LEU 75 Cb 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2kl2 h LEU 75 CO 0.03 0.01 -0.04 0.03 -0.62 0.00 0.00 178.44 177.85 2kl2 h ARG 76 N 0.00 -0.11 -0.44 1.25 3.08 -0.87 -3.27 114.38 114.02 2kl2 h ARG 76 Ca -0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2kl2 h ARG 76 Cb 0.02 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 2kl2 h ARG 76 CO 0.00 0.34 -0.01 0.35 -1.07 0.00 0.00 179.97 179.59 2kl2 h PHE 77 N -0.95 -0.04 0.00 3.04 3.57 -0.35 -0.93 116.94 121.28 2kl2 h PHE 77 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2kl2 h PHE 77 Cb 0.50 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2kl2 h PHE 77 CO 0.11 -0.10 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.94 2kl2 h LEU 78 N 0.10 0.00 -1.02 0.59 3.38 -1.05 -0.20 115.31 117.12 2kl2 h LEU 78 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2kl2 h LEU 78 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2kl2 h LEU 78 CO -0.37 0.08 -0.29 -0.78 0.09 0.00 0.00 178.44 177.17 2kl2 h ASP 79 N 0.00 0.36 0.02 -0.43 1.82 -1.22 0.12 116.42 117.09 2kl2 h ASP 79 Ca -0.00 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2kl2 h ASP 79 Cb 0.18 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.10 2kl2 h ASP 79 CO 0.01 0.64 -0.01 -0.78 -1.61 0.00 0.00 179.24 177.49 2kl2 h ASP 80 N 0.31 -0.02 0.39 2.28 1.82 -1.24 -3.01 116.42 116.94 2kl2 h ASP 80 Ca 0.04 -0.71 -0.05 0.00 -0.39 0.00 0.00 57.03 55.92 2kl2 h ASP 80 Cb 0.67 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2kl2 h ASP 80 CO 0.05 0.74 -0.23 0.15 -1.61 0.00 0.00 179.24 178.33 2kl2 h PHE 81 N -0.82 0.00 -0.64 0.28 3.57 -0.99 -1.95 116.94 116.38 2kl2 h PHE 81 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kl2 h PHE 81 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2kl2 h PHE 81 CO 0.18 0.23 0.00 0.39 -2.23 0.00 0.00 178.31 176.89 2kl2 n GLU 82 N -3.90 3.87 -2.24 1.11 -0.58 0.02 -4.97 120.64 113.95 2kl2 n GLU 82 Ca -0.02 -2.93 -0.13 0.00 -0.42 0.00 0.00 57.16 53.66 2kl2 n GLU 82 Cb 0.32 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.24 2kl2 n GLU 82 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kl2 n ASP 83 N 1.08 -3.91 -4.77 1.62 8.00 -0.73 -3.82 116.55 114.01 2kl2 n ASP 83 Ca 0.26 0.21 -0.30 0.00 0.71 0.00 0.00 54.79 55.67 2kl2 n ASP 83 Cb 0.93 -3.38 0.10 0.00 -0.02 0.00 0.00 41.12 38.75 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kl2 n PRO 85 N -3.54 0.31 0.37 0.00 -0.04 -1.26 -4.81 135.00 126.04 2kl2 n PRO 85 Ca 0.07 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 2kl2 n PRO 85 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.80 0.00 3.54 0.02 -1.82 -3.40 113.55 111.09 2kl2 h SER 86 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2kl2 h SER 86 Cb 0.11 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2kl2 h SER 86 CO 0.00 -0.57 0.00 0.23 -1.14 0.00 0.00 176.83 175.35 2kl2 n MET 87 N -4.55 0.00 -2.61 3.45 2.81 0.01 -4.96 117.12 111.28 2kl2 n MET 87 Ca -0.12 0.12 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 2kl2 n MET 87 Cb 0.37 -0.76 0.07 0.00 -0.71 0.00 0.00 33.22 32.19 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 -0.85 -2.56 -0.27 2.03 4.01 -1.25 -4.81 117.16 113.46 2kl2 n TYR 88 Ca 0.00 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 55.98 2kl2 n TYR 88 Cb 0.00 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 2kl2 n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2kl2 n GLN 89 N -2.25 0.43 -1.75 -0.72 6.02 0.37 -4.02 117.38 115.46 2kl2 n GLN 89 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2kl2 n GLN 89 Cb 0.52 -0.20 0.00 0.00 1.02 0.00 0.00 30.24 31.59 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 -0.07 -4.94 -3.68 -1.09 0.00 -1.20 -4.97 116.66 100.71 2kl2 n ARG 90 Ca 0.00 3.61 -0.13 0.00 -0.00 0.00 0.00 57.85 61.33 2kl2 n ARG 90 Cb 0.07 -4.02 -0.07 0.00 0.00 0.00 0.00 32.46 28.44 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 -2.61 0.05 -0.11 5.15 2.01 -0.89 -4.83 115.64 114.41 2kl2 s THR 91 Ca 0.00 -0.45 -0.25 0.00 0.31 0.00 0.00 61.69 61.29 2kl2 s THR 91 Cb 0.00 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2kl2 s THR 91 CO 0.00 -0.25 0.80 0.00 -0.69 0.00 0.00 174.62 174.48 2kl2 s ALA 92 N -2.24 3.40 0.27 7.40 0.00 -1.26 -1.26 121.76 128.07 2kl2 s ALA 92 Ca -0.07 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 2kl2 s ALA 92 Cb -0.01 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.99 2kl2 s ALA 92 CO -0.01 -0.38 0.73 -0.48 0.00 0.00 0.00 175.76 175.62 2kl2 s LEU 93 N 1.48 -0.26 -0.13 0.00 2.34 -0.58 -5.00 118.68 116.53 2kl2 s LEU 93 Ca 0.40 -0.60 -0.15 0.00 0.06 0.00 0.00 54.13 53.83 2kl2 s LEU 93 Cb -0.18 2.71 -0.05 0.00 -0.56 0.00 0.00 46.19 48.11 2kl2 s LEU 93 CO 0.17 -1.33 0.36 -1.58 -1.06 0.00 0.00 176.35 172.91 2kl2 s GLN 94 N -3.89 4.23 -0.08 1.48 2.00 -1.26 -1.73 119.66 120.41 2kl2 s GLN 94 Ca 0.11 0.24 -0.01 0.00 -2.00 0.00 0.00 55.36 53.70 2kl2 s GLN 94 Cb -0.06 -3.40 0.03 0.00 0.80 0.00 0.00 33.01 30.38 2kl2 s GLN 94 CO 0.07 0.27 -0.00 0.08 -0.50 0.00 0.00 175.29 175.21 2kl2 s VAL 95 N 0.32 0.40 0.40 1.34 1.01 -0.45 -4.12 120.40 119.31 2kl2 s VAL 95 Ca 0.20 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 2kl2 s VAL 95 Cb -0.14 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 2kl2 s VAL 95 CO 0.07 0.25 1.25 -1.58 0.00 0.00 0.00 175.10 175.10 2kl2 s GLN 96 N 1.96 3.99 -0.17 2.72 0.74 0.67 -0.75 119.66 128.84 2kl2 s GLN 96 Ca 0.05 2.04 -0.19 0.00 0.05 0.00 0.00 55.36 57.30 2kl2 s GLN 96 Cb -0.12 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 2kl2 s GLN 96 CO -0.05 -0.43 0.54 0.54 -0.55 0.00 0.00 175.29 175.34 2kl2 s VAL 97 N -1.31 5.11 -0.60 1.34 0.11 -1.04 -1.54 120.40 122.46 2kl2 s VAL 97 Ca 0.57 1.04 0.23 0.00 -2.93 0.00 0.00 61.98 60.89 2kl2 s VAL 97 Cb -0.35 -3.87 -0.13 0.00 -1.53 0.00 0.00 36.38 30.50 2kl2 s VAL 97 CO 0.45 0.21 1.00 0.18 -3.33 0.00 0.00 175.10 173.61 2kl2 n LEU 98 N 4.45 0.61 -3.65 2.54 4.32 0.23 -4.90 117.00 120.60 2kl2 n LEU 98 Ca -0.04 -0.04 -0.04 0.00 -0.02 0.00 0.00 56.01 55.86 2kl2 n LEU 98 Cb 0.51 -0.09 -0.07 0.00 -1.62 0.00 0.00 43.42 42.15 2kl2 n LEU 98 CO 0.43 0.05 1.06 -0.70 -1.22 0.00 0.00 177.39 177.01 2kl2 s GLU 99 N -3.20 0.17 -0.02 3.23 2.12 -1.22 -4.85 118.70 114.93 2kl2 s GLU 99 Ca 0.03 0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.61 2kl2 s GLU 99 Cb 0.14 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 2kl2 s GLU 99 CO 0.81 -0.02 -0.19 -0.46 -0.54 0.00 0.00 175.26 174.86 2kl2 s TRP 100 N 0.04 1.70 -0.29 5.30 -0.11 -1.26 -0.59 118.94 123.73 2kl2 s TRP 100 Ca 0.06 -0.35 -0.06 0.00 1.22 0.00 0.00 56.10 56.98 2kl2 s TRP 100 Cb -0.05 -1.10 0.02 0.00 -1.50 0.00 0.00 33.47 30.83 2kl2 s TRP 100 CO -0.13 -0.05 0.06 -1.21 -4.62 0.00 0.00 176.95 171.00 2kl2 s GLU 101 N -0.38 3.00 1.27 5.86 0.41 -1.26 -4.87 118.70 122.72 2kl2 s GLU 101 Ca 0.06 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 2kl2 s GLU 101 Cb -0.08 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 2kl2 s GLU 101 CO -0.00 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 174.71 2kl2 n GLY 102 N 4.83 -1.80 3.60 -1.39 0.00 -1.26 -4.79 105.19 104.37 2kl2 n GLY 102 Ca -0.14 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 2kl2 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 103 N -4.00 2.04 -0.15 1.61 -1.08 -1.26 -4.61 116.67 109.22 2kl2 s ASP 103 Ca 0.00 1.52 -0.01 0.00 -0.52 0.00 0.00 52.55 53.55 2kl2 s ASP 103 Cb 0.00 -2.21 -0.01 0.00 -1.46 0.00 0.00 42.92 39.24 2kl2 s ASP 103 CO 0.00 -3.54 0.13 0.61 0.52 0.00 0.00 175.17 172.89 2kl2 n GLY 104 N -0.06 0.61 3.30 2.66 0.00 -1.26 -5.02 105.19 105.41 2kl2 n GLY 104 Ca 0.05 -0.18 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.06 6.61 0.29 1.61 2.15 -1.26 -4.96 116.67 118.05 2kl2 s ASP 105 Ca 0.06 -2.81 0.20 0.00 0.43 0.00 0.00 52.55 50.44 2kl2 s ASP 105 Cb -0.01 -2.16 1.08 0.00 -0.30 0.00 0.00 42.92 41.54 2kl2 s ASP 105 CO 0.10 -0.52 1.63 -0.81 -0.17 0.00 0.00 175.17 175.40 2kl2 n PRO 106 N 3.78 0.14 0.00 4.34 -0.04 -1.26 -5.00 135.00 136.96 2kl2 n PRO 106 Ca 0.14 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 2kl2 n PRO 106 Cb 0.45 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2kl2 n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kl2 n GLY 107 N -1.19 0.20 0.00 0.55 0.00 -1.26 -4.78 105.19 98.71 2kl2 n GLY 107 Ca -0.01 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.14 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl2 n ASP 108 N -0.39 0.00 -3.99 1.61 9.92 -1.26 -4.22 116.55 118.23 2kl2 n ASP 108 Ca 0.00 -0.54 -0.12 0.00 -0.53 0.00 0.00 54.79 53.60 2kl2 n ASP 108 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kl2 s SER 109 N -1.96 0.51 0.26 -2.24 1.04 -1.26 -2.51 113.70 107.53 2kl2 s SER 109 Ca 0.21 -0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.36 2kl2 s SER 109 Cb 0.10 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2kl2 s SER 109 CO 0.17 -0.15 0.07 0.54 0.98 0.00 0.00 173.24 174.84 2kl2 s VAL 110 N -0.96 3.83 -0.39 5.02 0.11 0.07 -4.90 120.40 123.18 2kl2 s VAL 110 Ca -0.08 -1.70 -0.22 0.00 -2.93 0.00 0.00 61.98 57.05 2kl2 s VAL 110 Cb -0.07 -3.05 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 2kl2 s VAL 110 CO -0.00 -0.35 0.72 -1.58 -3.33 0.00 0.00 175.10 170.55 2kl2 s GLN 111 N -3.69 3.59 0.45 1.54 -0.44 -1.26 -1.34 119.66 118.51 2kl2 s GLN 111 Ca 0.32 0.04 0.08 0.00 -2.50 0.00 0.00 55.36 53.30 2kl2 s GLN 111 Cb -0.07 -3.86 0.02 0.00 -1.64 0.00 0.00 33.01 27.47 2kl2 s GLN 111 CO 0.22 -0.89 0.61 0.00 0.50 0.00 0.00 175.29 175.73 2kl2 s PHE 113 N -2.41 3.69 0.02 0.00 0.08 -0.41 -1.53 117.98 117.42 2kl2 s PHE 113 Ca 0.56 1.09 0.05 0.00 0.12 0.00 0.00 56.93 58.75 2kl2 s PHE 113 Cb -0.09 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.96 2kl2 s PHE 113 CO 0.34 0.53 -0.14 0.08 -0.10 0.00 0.00 175.22 175.93 2kl2 s VAL 114 N -1.28 1.09 -0.74 -0.44 1.01 -0.39 -0.94 120.40 118.71 2kl2 s VAL 114 Ca 0.32 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 2kl2 s VAL 114 Cb -0.17 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2kl2 s VAL 114 CO 0.18 0.11 1.86 -0.31 0.00 0.00 0.00 175.10 176.93 2kl2 s TYR 115 N -0.66 1.77 0.47 5.22 2.02 -1.26 -2.09 117.35 122.81 2kl2 s TYR 115 Ca 0.03 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.44 2kl2 s TYR 115 Cb -0.07 -4.11 -0.00 0.00 -0.40 0.00 0.00 41.96 37.37 2kl2 s TYR 115 CO 0.01 -2.07 0.35 0.95 -1.57 0.00 0.00 175.55 173.22 2kl2 s THR 116 N 9.21 2.19 -0.06 -0.71 -4.23 -1.26 -4.40 115.64 116.37 2kl2 s THR 116 Ca 0.66 -1.47 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 2kl2 s THR 116 Cb -0.10 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2kl2 s THR 116 CO 0.11 0.00 0.12 0.28 -0.54 0.00 0.00 174.62 174.59 2kl2 s THR 117 N -2.62 -0.18 -2.34 3.99 -1.32 -1.09 -0.48 115.64 111.61 2kl2 s THR 117 Ca 0.41 0.35 0.21 0.00 -1.21 0.00 0.00 61.69 61.45 2kl2 s THR 117 Cb -0.01 -0.23 0.44 0.00 -1.51 0.00 0.00 72.50 71.18 2kl2 s THR 117 CO 0.24 0.15 1.48 0.00 -2.21 0.00 0.00 174.62 174.28 2kl2 n ALA 118 N 5.10 2.48 -2.15 11.08 0.00 -1.26 -3.50 120.51 132.27 2kl2 n ALA 118 Ca -0.08 -0.68 -0.26 0.00 0.00 0.00 0.00 53.44 52.42 2kl2 n ALA 118 Cb 0.50 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 0.72 2.54 -1.79 0.00 -2.24 -1.26 -5.00 114.28 107.24 2kl2 n THR 119 Ca 0.17 -4.41 -0.29 0.00 -2.27 0.00 0.00 64.05 57.24 2kl2 n THR 119 Cb 0.42 -1.19 0.12 0.00 -2.10 0.00 0.00 70.33 67.58 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2kl2 s TYR 120 N -3.60 2.62 0.09 4.78 -0.85 -1.26 -5.08 117.35 114.04 2kl2 s TYR 120 Ca 0.51 0.72 0.02 0.00 -0.52 0.00 0.00 57.07 57.79 2kl2 s TYR 120 Cb 0.41 -3.55 -0.04 0.00 0.38 0.00 0.00 41.96 39.17 2kl2 s TYR 120 CO -0.05 -2.08 0.18 0.00 -1.52 0.00 0.00 175.55 172.08 2kl2 s ALA 121 N -3.53 3.85 0.24 9.51 0.00 -1.26 -5.02 121.76 125.55 2kl2 s ALA 121 Ca 0.64 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 2kl2 s ALA 121 Cb -0.11 -1.68 0.27 0.00 0.00 0.00 0.00 23.12 21.60 2kl2 s ALA 121 CO 0.51 0.74 1.71 -1.00 0.00 0.00 0.00 175.76 177.72 2kl2 h PRO 122 N 2.95 0.80 0.00 0.00 0.13 -2.00 -1.25 132.00 132.63 2kl2 h PRO 122 Ca -0.46 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2kl2 h PRO 122 Cb 1.17 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kl2 h PRO 122 CO 0.71 0.86 0.00 -0.85 -0.23 0.00 0.00 178.00 178.49 2kl2 n GLU 123 N -4.18 0.51 -0.04 0.86 0.28 -1.26 -1.44 120.64 115.37 2kl2 n GLU 123 Ca 0.02 0.01 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 2kl2 n GLU 123 Cb 0.35 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.56 2kl2 n GLU 123 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2kl2 n TRP 124 N -1.03 0.10 0.10 -1.84 7.02 -0.48 -4.41 117.44 116.90 2kl2 n TRP 124 Ca 0.13 0.03 -0.05 0.00 -1.02 0.00 0.00 57.50 56.59 2kl2 n TRP 124 Cb 0.07 -0.77 0.03 0.00 -2.42 0.00 0.00 31.31 28.22 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 0.05 -1.97 -0.99 3.38 -1.11 -3.19 115.31 111.48 2kl2 h LEU 125 Ca -0.25 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2kl2 h LEU 125 Cb 1.58 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2kl2 h LEU 125 CO 0.02 0.84 -0.11 -0.26 0.09 0.00 0.00 178.44 179.02 2kl2 h PHE 126 N 0.02 0.00 -4.12 1.13 0.04 -1.71 -3.45 116.94 108.85 2kl2 h PHE 126 Ca -0.01 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 2kl2 h PHE 126 Cb 1.42 0.00 0.12 0.00 2.20 0.00 0.00 35.95 39.69 2kl2 h PHE 126 CO 0.01 0.11 0.46 -0.51 -0.60 0.00 0.00 178.31 177.77 2kl2 s LEU 127 N -7.36 3.59 0.76 1.54 1.43 -1.21 -5.00 118.68 112.43 2kl2 s LEU 127 Ca -0.03 2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 55.31 2kl2 s LEU 127 Cb 0.13 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.81 2kl2 s LEU 127 CO 0.58 -1.72 1.14 -2.16 0.23 0.00 0.00 176.35 174.43 2kl2 s PRO 128 N -3.47 2.11 0.24 1.29 0.04 -1.26 -4.97 135.00 128.98 2kl2 s PRO 128 Ca 0.76 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.37 2kl2 s PRO 128 Cb -0.30 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2kl2 s PRO 128 CO 0.36 -1.80 0.17 0.71 0.04 0.00 0.00 177.00 176.47 2kl2 s TYR 129 N -2.41 3.07 -0.24 0.56 2.02 -1.26 -4.62 117.35 114.47 2kl2 s TYR 129 Ca 0.68 -0.11 -0.02 0.00 -0.37 0.00 0.00 57.07 57.25 2kl2 s TYR 129 Cb -0.23 -1.39 0.08 0.00 -0.40 0.00 0.00 41.96 40.01 2kl2 s TYR 129 CO 0.49 0.53 0.06 -1.01 -1.57 0.00 0.00 175.55 174.05 2kl2 s HIS 130 N -2.10 1.20 -0.35 2.71 3.76 -0.98 -5.02 115.29 114.51 2kl2 s HIS 130 Ca 0.32 -1.14 0.15 0.00 -0.15 0.00 0.00 55.06 54.24 2kl2 s HIS 130 Cb -0.08 -1.23 0.81 0.00 1.11 0.00 0.00 32.58 33.19 2kl2 s HIS 130 CO 0.24 -0.71 1.43 -1.91 -0.85 0.00 0.00 174.74 172.94 2kl2 n GLU 131 N 5.00 0.10 -4.03 1.40 2.13 -1.26 -4.60 120.64 119.37 2kl2 n GLU 131 Ca -0.07 0.58 -0.13 0.00 0.66 0.00 0.00 57.16 58.21 2kl2 n GLU 131 Cb 0.45 -1.87 -0.04 0.00 0.27 0.00 0.00 31.44 30.25 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kl2 s SER 132 N -3.65 0.55 0.26 4.31 1.04 -1.26 -3.33 113.70 111.62 2kl2 s SER 132 Ca -0.02 -1.31 0.04 0.00 0.48 0.00 0.00 55.95 55.14 2kl2 s SER 132 Cb 0.04 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.78 2kl2 s SER 132 CO 0.13 -1.31 -0.01 -0.47 0.98 0.00 0.00 173.24 172.57 2kl2 s TYR 133 N -3.18 1.74 0.21 5.02 5.04 -1.26 -5.09 117.35 119.82 2kl2 s TYR 133 Ca 0.27 -0.87 -0.20 0.00 -2.44 0.00 0.00 57.07 53.83 2kl2 s TYR 133 Cb -0.01 -1.03 0.04 0.00 0.35 0.00 0.00 41.96 41.31 2kl2 s TYR 133 CO 0.16 0.05 0.60 0.16 -1.34 0.00 0.00 175.55 175.18 2kl2 s ASP 134 N -3.38 -0.35 0.00 4.32 1.47 -1.26 -4.92 116.67 112.55 2kl2 s ASP 134 Ca 0.30 -0.37 0.12 0.00 1.18 0.00 0.00 52.55 53.79 2kl2 s ASP 134 Cb 0.06 0.62 0.03 0.00 -0.34 0.00 0.00 42.92 43.29 2kl2 s ASP 134 CO 0.11 -1.10 0.76 -0.24 0.68 0.00 0.00 175.17 175.38 2kl2 n SER 135 N -0.38 1.55 -3.56 2.11 2.88 -1.26 -4.85 113.62 110.11 2kl2 n SER 135 Ca -0.11 -1.27 -0.28 0.00 -1.33 0.00 0.00 58.87 55.88 2kl2 n SER 135 Cb 0.62 0.34 -0.15 0.00 -0.75 0.00 0.00 64.21 64.27 2kl2 n SER 135 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kl2 s GLU 136 N -1.41 0.16 0.19 -1.46 0.41 -1.26 -4.96 118.70 110.38 2kl2 s GLU 136 Ca 0.11 -0.40 -0.23 0.00 -0.41 0.00 0.00 54.97 54.04 2kl2 s GLU 136 Cb 0.10 -1.33 0.05 0.00 -1.78 0.00 0.00 34.13 31.17 2kl2 s GLU 136 CO 0.26 -0.92 0.72 0.20 -0.49 0.00 0.00 175.26 175.03 2kl2 s GLY 137 N 2.12 -0.34 0.52 -1.39 0.00 -1.26 -5.02 107.32 101.95 2kl2 s GLY 137 Ca 0.07 0.17 0.35 0.00 0.00 0.00 0.00 44.72 45.30 2kl2 s GLY 137 CO -0.29 0.05 2.03 -0.56 0.00 0.00 0.00 173.10 174.34 2kl2 h PRO 138 N 2.00 0.00 -5.90 2.90 0.13 -2.01 -3.36 132.00 125.76 2kl2 h PRO 138 Ca -0.25 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.33 2kl2 h PRO 138 Cb 1.27 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 2kl2 h PRO 138 CO 0.30 0.00 1.54 -1.01 -0.23 0.00 0.00 178.00 178.60 2kl2 s HIS 139 N -3.75 2.42 0.00 1.56 3.76 -1.26 -4.89 115.29 113.14 2kl2 s HIS 139 Ca -0.01 -0.70 -0.00 0.00 -0.15 0.00 0.00 55.06 54.20 2kl2 s HIS 139 Cb 0.10 -4.53 -0.02 0.00 1.11 0.00 0.00 32.58 29.23 2kl2 s HIS 139 CO 0.45 -1.78 0.70 0.41 -0.85 0.00 0.00 174.74 173.67 2kl2 n GLY 140 N 6.31 1.11 2.51 -2.22 0.00 -1.26 -4.52 105.19 107.12 2kl2 n GLY 140 Ca 0.40 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 2kl2 n GLY 140 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl2 s LEU 141 N 0.00 0.77 0.20 0.99 2.34 -1.26 -5.14 118.68 116.58 2kl2 s LEU 141 Ca 0.05 -2.47 0.11 0.00 0.06 0.00 0.00 54.13 51.88 2kl2 s LEU 141 Cb 0.03 -0.03 -0.04 0.00 -0.56 0.00 0.00 46.19 45.58 2kl2 s LEU 141 CO 0.00 -0.21 -0.23 -0.13 -1.06 0.00 0.00 176.35 174.72 2kl2 s ARG 142 N 0.62 1.50 0.13 1.48 3.00 -1.26 -4.95 118.95 119.47 2kl2 s ARG 142 Ca 0.26 -1.54 -0.35 0.00 0.00 0.00 0.00 55.73 54.11 2kl2 s ARG 142 Cb -0.07 -1.76 -0.15 0.00 0.00 0.00 0.00 34.95 32.97 2kl2 s ARG 142 CO -0.10 0.37 1.46 0.98 0.00 0.00 0.00 175.30 178.01 2kl2 n TYR 143 N 0.17 1.92 -3.14 -0.53 9.36 -1.24 -4.62 117.16 119.08 2kl2 n TYR 143 Ca -0.12 0.44 -0.28 0.00 3.32 0.00 0.00 57.90 61.27 2kl2 n TYR 143 Cb 0.57 -2.44 -0.05 0.00 -0.63 0.00 0.00 39.34 36.78 2kl2 n TYR 143 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kl2 n ASN 144 N 2.94 4.30 -0.03 2.98 3.02 -0.42 -4.88 115.26 123.17 2kl2 n ASN 144 Ca 0.17 -3.58 -0.14 0.00 -0.03 0.00 0.00 54.58 51.00 2kl2 n ASN 144 Cb 0.25 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kl2 h PRO 145 N 3.57 0.14 0.00 3.52 0.13 -1.88 -3.42 132.00 134.07 2kl2 h PRO 145 Ca 0.17 -0.10 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 2kl2 h PRO 145 Cb 0.57 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 31.53 2kl2 h PRO 145 CO 0.85 0.71 -0.53 -2.13 -0.23 0.00 0.00 178.00 176.67 2kl2 n ARG 146 N -4.67 0.00 0.09 0.86 3.00 -1.26 -4.60 116.66 110.08 2kl2 n ARG 146 Ca -0.08 -1.18 -0.04 0.00 -0.00 0.00 0.00 57.85 56.55 2kl2 n ARG 146 Cb 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 32.46 32.91 2kl2 n ARG 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2kl2 h GLU 147 N 0.34 -0.23 -0.17 -0.14 4.39 -1.91 -3.37 114.58 113.49 2kl2 h GLU 147 Ca -0.28 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kl2 h GLU 147 Cb 1.51 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2kl2 h GLU 147 CO -0.07 -0.15 0.00 0.27 -1.16 0.00 0.00 179.01 177.90 2kl2 n ASN 148 N -2.97 3.02 0.00 1.42 0.23 -1.26 -5.21 115.26 110.49 2kl2 n ASN 148 Ca -0.03 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 2kl2 n ASN 148 Cb 0.09 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19