#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 h SER 2 N 0.00 0.00 0.00 1.61 0.02 -2.04 -3.47 113.55 109.67 2kl4 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kl4 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kl4 h SER 2 CO 0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 2kl4 n HIS 3 N -3.69 0.00 -0.27 3.45 -0.00 -1.26 -4.46 115.22 109.00 2kl4 n HIS 3 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.74 2kl4 n HIS 3 Cb 0.47 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.58 2kl4 n HIS 3 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2kl4 h MET 4 N 0.00 0.02 -0.58 -1.40 0.00 -1.97 -1.82 114.93 109.18 2kl4 h MET 4 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 59.70 59.85 2kl4 h MET 4 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.57 2kl4 h MET 4 CO 0.00 0.01 0.41 0.93 0.00 0.00 0.00 176.91 178.26 2kl4 h GLU 5 N 0.02 0.11 -0.33 1.72 4.39 -1.98 0.29 114.58 118.79 2kl4 h GLU 5 Ca 0.39 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.04 2kl4 h GLU 5 Cb 0.62 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2kl4 h GLU 5 CO -0.78 0.07 0.06 0.28 -1.16 0.00 0.00 179.01 177.49 2kl4 h VAL 6 N 0.12 1.23 -0.00 3.13 2.07 -1.71 -3.29 116.25 117.79 2kl4 h VAL 6 Ca 0.28 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2kl4 h VAL 6 Cb 0.94 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2kl4 h VAL 6 CO -0.03 0.27 -0.73 0.49 0.02 0.00 0.00 177.57 177.58 2kl4 n PHE 7 N -4.60 0.00 0.37 1.57 3.72 -0.16 -4.63 117.46 113.72 2kl4 n PHE 7 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 2kl4 n PHE 7 Cb 0.22 -0.07 0.37 0.00 -0.94 0.00 0.00 39.48 39.06 2kl4 n PHE 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 n ALA 8 N -1.18 1.52 -0.03 4.37 0.00 -0.09 -1.98 120.51 123.11 2kl4 n ALA 8 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2kl4 n ALA 8 Cb 0.36 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 2kl4 n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kl4 n GLU 9 N -1.87 1.99 0.04 0.00 1.02 -1.26 -4.41 120.64 116.16 2kl4 n GLU 9 Ca 0.02 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2kl4 n GLU 9 Cb 0.16 -1.22 0.08 0.00 -0.02 0.00 0.00 31.44 30.44 2kl4 n GLU 9 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2kl4 h TYR 10 N 0.00 0.52 -0.65 -0.32 -0.00 -1.71 -2.87 116.97 111.93 2kl4 h TYR 10 Ca -0.18 -0.19 0.14 0.00 0.00 0.00 0.00 58.73 58.50 2kl4 h TYR 10 Cb 1.26 -0.09 -0.11 0.00 0.00 0.00 0.00 36.73 37.78 2kl4 h TYR 10 CO 0.00 0.89 0.03 -0.07 -0.00 0.00 0.00 178.16 179.01 2kl4 h LEU 11 N 0.30 -0.23 -2.09 0.10 -0.00 -1.75 0.35 115.31 111.99 2kl4 h LEU 11 Ca -0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2kl4 h LEU 11 Cb 1.11 0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2kl4 h LEU 11 CO 0.10 -0.11 -0.06 0.11 -0.00 0.00 0.00 178.44 178.48 2kl4 h LYS 12 N 0.14 0.00 0.00 1.13 6.56 -1.71 -1.57 116.57 121.12 2kl4 h LYS 12 Ca 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2kl4 h LYS 12 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2kl4 h LYS 12 CO -0.54 0.06 0.00 0.41 -2.06 0.00 0.00 179.45 177.32 2kl4 n GLY 13 N -1.17 -1.45 3.62 3.86 0.00 0.09 -4.60 105.19 105.54 2kl4 n GLY 13 Ca -0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2kl4 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kl4 s ILE 14 N -3.09 4.08 -1.59 -0.61 1.01 -0.59 -4.89 121.20 115.52 2kl4 s ILE 14 Ca 0.10 1.18 0.30 0.00 0.00 0.00 0.00 60.65 62.22 2kl4 s ILE 14 Cb 0.13 -4.22 0.61 0.00 0.01 0.00 0.00 42.46 38.99 2kl4 s ILE 14 CO 0.49 -0.62 2.05 -0.67 0.00 0.00 0.00 174.94 176.19 2kl4 n ASP 15 N 8.00 0.00 -4.33 3.58 2.03 -1.26 -4.55 116.55 120.02 2kl4 n ASP 15 Ca 0.15 -0.36 -0.46 0.00 0.52 0.00 0.00 54.79 54.64 2kl4 n ASP 15 Cb 0.47 -0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.65 2kl4 n ASP 15 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kl4 s HIS 16 N -2.41 3.98 0.26 -0.67 3.76 -1.26 -4.93 115.29 114.01 2kl4 s HIS 16 Ca 0.33 -2.30 -0.04 0.00 -0.15 0.00 0.00 55.06 52.90 2kl4 s HIS 16 Cb 0.20 -3.82 0.31 0.00 1.11 0.00 0.00 32.58 30.38 2kl4 s HIS 16 CO 0.42 -0.97 1.84 -1.00 -0.85 0.00 0.00 174.74 174.18 2kl4 h PRO 17 N 7.30 1.06 -0.07 8.40 0.13 -1.99 -1.66 132.00 145.17 2kl4 h PRO 17 Ca 0.14 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2kl4 h PRO 17 Cb 0.97 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2kl4 h PRO 17 CO 0.86 0.84 0.00 -0.25 -0.23 0.00 0.00 178.00 179.22 2kl4 n ASP 18 N -4.31 0.07 0.00 1.44 9.92 -1.26 -3.48 116.55 118.94 2kl4 n ASP 18 Ca 0.07 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 2kl4 n ASP 18 Cb 0.16 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 2kl4 n ASP 18 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kl4 n HIS 19 N -0.46 0.00 -0.24 1.24 8.25 -1.09 -4.92 115.22 118.00 2kl4 n HIS 19 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2kl4 n HIS 19 Cb 0.02 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.22 2kl4 n HIS 19 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2kl4 h ARG 20 N 0.00 0.72 -0.93 -0.41 0.11 -1.34 -3.19 114.38 109.35 2kl4 h ARG 20 Ca 0.00 -0.04 0.27 0.00 0.10 0.00 0.00 59.98 60.30 2kl4 h ARG 20 Cb 0.23 -0.16 -0.14 0.00 1.11 0.00 0.00 29.97 31.00 2kl4 h ARG 20 CO 0.00 0.48 0.35 0.22 0.10 0.00 0.00 179.97 181.12 2kl4 h ASP 21 N 0.74 0.18 -0.56 0.08 1.82 -1.86 0.35 116.42 117.17 2kl4 h ASP 21 Ca 0.29 0.20 0.06 0.00 -0.39 0.00 0.00 57.03 57.19 2kl4 h ASP 21 Cb 0.13 0.22 -0.06 0.00 0.68 0.00 0.00 39.33 40.31 2kl4 h ASP 21 CO -0.16 -0.15 0.26 0.03 -1.61 0.00 0.00 179.24 177.62 2kl4 h ARG 22 N 0.25 0.48 -0.78 0.28 3.08 -1.92 -2.08 114.38 113.69 2kl4 h ARG 22 Ca 0.62 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.65 2kl4 h ARG 22 Cb 1.31 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 2kl4 h ARG 22 CO -0.64 0.32 0.52 1.15 -1.07 0.00 0.00 179.97 180.24 2kl4 h THR 23 N 0.49 1.18 -0.35 2.04 2.02 -0.45 -2.51 112.91 115.33 2kl4 h THR 23 Ca 0.26 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 2kl4 h THR 23 Cb 0.23 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2kl4 h THR 23 CO -0.21 0.19 -0.19 -0.33 0.37 0.00 0.00 175.52 175.34 2kl4 h GLU 24 N 1.03 0.65 -0.34 6.66 5.08 -1.17 -2.77 114.58 123.74 2kl4 h GLU 24 Ca 0.29 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2kl4 h GLU 24 Cb -0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2kl4 h GLU 24 CO -0.07 0.81 0.22 0.93 -1.00 0.00 0.00 179.01 179.90 2kl4 h GLU 25 N 0.58 0.44 -0.52 2.33 5.08 -1.24 -1.91 114.58 119.34 2kl4 h GLU 25 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2kl4 h GLU 25 Cb 0.65 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2kl4 h GLU 25 CO 0.05 0.29 0.34 0.82 -1.00 0.00 0.00 179.01 179.51 2kl4 h ILE 26 N 0.45 1.14 0.39 3.13 2.04 -1.45 0.16 117.51 123.37 2kl4 h ILE 26 Ca 0.13 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2kl4 h ILE 26 Cb -0.04 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2kl4 h ILE 26 CO -0.03 0.13 -0.28 -0.07 0.00 0.00 0.00 178.15 177.91 2kl4 h LEU 27 N 0.71 -0.71 -1.48 1.44 3.38 -1.17 0.47 115.31 117.96 2kl4 h LEU 27 Ca 0.19 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2kl4 h LEU 27 Cb -0.07 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kl4 h LEU 27 CO -0.04 -0.42 0.05 0.28 0.09 0.00 0.00 178.44 178.39 2kl4 h SER 28 N -0.65 0.35 -0.10 -0.43 0.02 -1.24 -2.14 113.55 109.37 2kl4 h SER 28 Ca -0.04 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 2kl4 h SER 28 Cb 0.55 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.01 2kl4 h SER 28 CO 0.01 0.38 -0.44 -0.25 -1.14 0.00 0.00 176.83 175.39 2kl4 h TRP 29 N 0.38 0.63 0.23 3.45 7.01 -0.70 -3.04 115.95 123.92 2kl4 h TRP 29 Ca 0.09 -0.27 0.00 0.00 2.11 0.00 0.00 58.89 60.82 2kl4 h TRP 29 Cb 0.18 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2kl4 h TRP 29 CO 0.00 1.04 -0.21 0.28 -2.79 0.00 0.00 178.44 176.76 2kl4 h VAL 30 N 0.05 0.54 0.00 2.65 2.07 -0.68 -0.82 116.25 120.06 2kl4 h VAL 30 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2kl4 h VAL 30 Cb 1.08 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2kl4 h VAL 30 CO 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 2kl4 h ALA 31 N 0.24 1.61 0.00 1.67 0.00 -1.47 0.61 119.26 121.92 2kl4 h ALA 31 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2kl4 h ALA 31 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kl4 h ALA 31 CO -0.04 0.01 -0.31 0.00 0.00 0.00 0.00 179.25 178.90 2kl4 h ALA 32 N 1.99 0.06 -0.19 0.00 0.00 -1.38 -3.34 119.26 116.41 2kl4 h ALA 32 Ca -0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 2kl4 h ALA 32 Cb 0.01 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kl4 h ALA 32 CO 0.00 0.18 -0.68 1.15 0.00 0.00 0.00 179.25 179.90 2kl4 h THR 33 N -1.00 1.28 -2.17 0.00 2.02 -0.62 -3.37 112.91 109.06 2kl4 h THR 33 Ca -0.08 -1.88 -0.57 0.00 0.77 0.00 0.00 66.41 64.65 2kl4 h THR 33 Cb 0.99 1.89 -0.41 0.00 -1.74 0.00 0.00 68.15 68.87 2kl4 h THR 33 CO -0.05 0.60 -0.77 0.49 0.37 0.00 0.00 175.52 176.16 2kl4 n PHE 34 N -3.99 2.68 0.84 3.16 3.72 0.16 -4.96 117.46 119.07 2kl4 n PHE 34 Ca -0.07 -3.97 0.09 0.00 -0.05 0.00 0.00 57.45 53.46 2kl4 n PHE 34 Cb 0.70 -0.49 0.46 0.00 -0.94 0.00 0.00 39.48 39.21 2kl4 n PHE 34 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kl4 n PRO 35 N 0.53 0.21 0.17 -1.08 -0.04 -1.25 -1.92 135.00 131.60 2kl4 n PRO 35 Ca 0.28 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2kl4 n PRO 35 Cb 0.46 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.92 2kl4 n PRO 35 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kl4 h ASN 36 N 0.00 0.00 -3.44 3.54 -1.24 -1.92 -3.42 115.58 109.10 2kl4 h ASN 36 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2kl4 h ASN 36 Cb 0.21 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.29 2kl4 h ASN 36 CO 0.00 0.00 0.61 -0.76 -1.29 0.00 0.00 177.43 175.99 2kl4 s LEU 37 N -5.00 4.43 0.02 0.34 1.43 -0.81 -2.90 118.68 116.20 2kl4 s LEU 37 Ca 0.05 2.32 -0.03 0.00 -1.03 0.00 0.00 54.13 55.43 2kl4 s LEU 37 Cb 0.09 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2kl4 s LEU 37 CO 0.48 -0.45 0.23 -1.61 0.23 0.00 0.00 176.35 175.22 2kl4 s GLU 38 N -0.18 3.49 0.50 1.70 2.02 0.50 -4.86 118.70 121.88 2kl4 s GLU 38 Ca 0.55 -0.26 -0.22 0.00 0.02 0.00 0.00 54.97 55.06 2kl4 s GLU 38 Cb -0.35 -3.06 -0.06 0.00 0.10 0.00 0.00 34.13 30.77 2kl4 s GLU 38 CO 0.38 0.64 1.19 -1.25 0.02 0.00 0.00 175.26 176.23 2kl4 s PRO 39 N -2.08 3.50 -0.28 0.39 0.04 -1.26 -0.80 135.00 134.51 2kl4 s PRO 39 Ca 0.30 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2kl4 s PRO 39 Cb -0.13 -2.26 0.17 0.00 0.04 0.00 0.00 34.50 32.33 2kl4 s PRO 39 CO 0.20 -0.78 0.51 -1.14 0.04 0.00 0.00 177.00 175.83 2kl4 s GLN 40 N -2.91 0.48 0.06 4.56 0.74 -0.89 -4.76 119.66 116.95 2kl4 s GLN 40 Ca 0.68 0.80 -0.30 0.00 0.05 0.00 0.00 55.36 56.59 2kl4 s GLN 40 Cb -0.30 0.14 -0.05 0.00 1.10 0.00 0.00 33.01 33.90 2kl4 s GLN 40 CO 0.35 -0.65 1.10 -1.64 -0.55 0.00 0.00 175.29 173.90 2kl4 s MET 41 N 2.74 4.51 -0.00 1.67 -1.94 -1.26 -1.29 119.30 123.73 2kl4 s MET 41 Ca 0.17 1.63 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 2kl4 s MET 41 Cb -0.15 -3.37 -0.00 0.00 2.01 0.00 0.00 34.83 33.32 2kl4 s MET 41 CO -0.19 -0.12 -0.01 0.21 -0.01 0.00 0.00 175.02 174.90 2kl4 s LYS 42 N 0.77 0.09 0.00 2.03 2.47 -0.79 -4.88 119.74 119.43 2kl4 s LYS 42 Ca 0.55 -0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 2kl4 s LYS 42 Cb -0.26 -0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.02 2kl4 s LYS 42 CO 0.30 0.02 0.00 0.91 0.16 0.00 0.00 175.35 176.74 2kl4 n TRP 43 N 3.06 0.00 -1.08 4.03 7.02 -1.26 -0.22 117.44 128.99 2kl4 n TRP 43 Ca -0.12 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.33 2kl4 n TRP 43 Cb 0.60 -1.14 -0.01 0.00 -2.42 0.00 0.00 31.31 28.33 2kl4 n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2kl4 n ASN 44 N -0.02 -3.75 -4.70 -0.99 5.15 -1.26 -5.07 115.26 104.62 2kl4 n ASN 44 Ca 0.00 0.07 -0.31 0.00 -0.60 0.00 0.00 54.58 53.73 2kl4 n ASN 44 Cb 0.01 -1.49 -0.08 0.00 -0.53 0.00 0.00 39.78 37.69 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2kl4 s THR 45 N -1.96 4.16 0.25 -0.44 -4.23 0.69 -4.99 115.64 109.12 2kl4 s THR 45 Ca 0.00 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.46 2kl4 s THR 45 Cb 0.00 -2.92 -0.09 0.00 1.34 0.00 0.00 72.50 70.83 2kl4 s THR 45 CO 0.00 0.26 1.16 -2.16 -0.54 0.00 0.00 174.62 173.34 2kl4 s PRO 46 N -1.92 4.55 0.34 3.99 0.04 -1.24 -1.88 135.00 138.88 2kl4 s PRO 46 Ca 0.23 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.18 2kl4 s PRO 46 Cb -0.12 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kl4 s PRO 46 CO 0.14 0.05 0.38 0.00 0.04 0.00 0.00 177.00 177.61 2kl4 n MET 47 N 1.66 0.54 -4.10 4.56 0.00 -0.41 -2.20 117.12 117.18 2kl4 n MET 47 Ca 0.01 -3.05 -0.08 0.00 0.00 0.00 0.00 57.70 54.58 2kl4 n MET 47 Cb 0.44 2.70 -0.10 0.00 0.00 0.00 0.00 33.22 36.26 2kl4 n MET 47 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kl4 s PHE 48 N -3.14 0.58 -0.20 3.17 0.40 -0.99 -2.10 117.98 115.71 2kl4 s PHE 48 Ca 0.34 -1.09 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 2kl4 s PHE 48 Cb 0.01 -0.40 0.04 0.00 0.51 0.00 0.00 43.02 43.18 2kl4 s PHE 48 CO 0.25 -0.41 -0.09 -1.54 0.70 0.00 0.00 175.22 174.12 2kl4 s SER 49 N -2.95 3.34 -0.71 1.36 1.04 0.02 -4.24 113.70 111.57 2kl4 s SER 49 Ca 0.10 -0.87 -0.26 0.00 0.48 0.00 0.00 55.95 55.40 2kl4 s SER 49 Cb 0.08 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 2kl4 s SER 49 CO -0.08 -0.16 1.82 0.21 0.98 0.00 0.00 173.24 176.01 2kl4 s ASN 50 N 1.43 5.36 -1.52 7.02 2.47 -1.26 -0.37 114.94 128.08 2kl4 s ASN 50 Ca -0.01 -0.05 -0.03 0.00 0.42 0.00 0.00 52.86 53.19 2kl4 s ASN 50 Cb -0.16 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.12 2kl4 s ASN 50 CO -0.08 -2.39 0.29 0.00 -3.72 0.00 0.00 177.10 171.20 2kl4 n GLN 51 N 9.11 -2.21 -2.22 0.43 6.02 -1.14 -1.73 117.38 125.64 2kl4 n GLN 51 Ca 0.24 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2kl4 n GLN 51 Cb 0.50 -4.21 0.00 0.00 1.02 0.00 0.00 30.24 27.56 2kl4 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kl4 n GLY 52 N -2.13 0.72 0.00 1.08 0.00 -1.24 -5.09 105.19 98.53 2kl4 n GLY 52 Ca -0.26 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2kl4 n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kl4 n THR 53 N -3.08 0.00 -0.81 2.61 -1.04 -0.70 -5.07 114.28 106.19 2kl4 n THR 53 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2kl4 n THR 53 Cb 0.49 -0.36 0.02 0.00 -1.82 0.00 0.00 70.33 68.66 2kl4 n THR 53 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kl4 n PHE 54 N -0.17 0.00 0.09 -1.42 7.35 -1.26 -4.19 117.46 117.86 2kl4 n PHE 54 Ca 0.00 -0.34 0.01 0.00 -0.76 0.00 0.00 57.45 56.36 2kl4 n PHE 54 Cb 0.00 -0.05 0.04 0.00 0.35 0.00 0.00 39.48 39.82 2kl4 n PHE 54 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2kl4 n ILE 55 N -0.41 0.00 -3.66 -2.13 5.41 -1.26 -4.42 119.36 112.89 2kl4 n ILE 55 Ca 0.03 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.64 2kl4 n ILE 55 Cb 0.47 -0.93 -0.08 0.00 -0.71 0.00 0.00 39.64 38.39 2kl4 n ILE 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 2kl4 s ILE 56 N -2.00 0.00 0.18 1.39 2.07 -1.19 -4.26 121.20 117.39 2kl4 s ILE 56 Ca 0.02 -0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.15 2kl4 s ILE 56 Cb 0.01 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 41.72 2kl4 s ILE 56 CO 0.02 -0.00 0.32 -0.83 -1.91 0.00 0.00 174.94 172.53 2kl4 s GLY 57 N 0.21 0.48 0.35 1.50 0.00 -1.19 -2.34 107.32 106.32 2kl4 s GLY 57 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 2kl4 s GLY 57 CO 0.01 -0.79 0.71 -0.11 0.00 0.00 0.00 173.10 172.92 2kl4 s PHE 58 N -3.97 0.20 0.04 1.90 -0.12 -0.94 -3.50 117.98 111.60 2kl4 s PHE 58 Ca 0.18 -0.75 -0.27 0.00 -0.05 0.00 0.00 56.93 56.04 2kl4 s PHE 58 Cb 0.03 0.63 0.08 0.00 -0.63 0.00 0.00 43.02 43.13 2kl4 s PHE 58 CO 0.01 -1.40 0.68 -1.54 -0.05 0.00 0.00 175.22 172.93 2kl4 s SER 59 N -3.06 -0.58 0.14 1.98 1.04 -1.08 -3.64 113.70 108.50 2kl4 s SER 59 Ca 0.17 0.31 -0.31 0.00 0.48 0.00 0.00 55.95 56.60 2kl4 s SER 59 Cb -0.04 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.52 2kl4 s SER 59 CO 0.11 -0.76 1.65 0.42 0.98 0.00 0.00 173.24 175.65 2kl4 s THR 60 N -2.50 2.65 0.86 2.02 -4.23 -1.26 -2.11 115.64 111.06 2kl4 s THR 60 Ca -0.04 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.69 2kl4 s THR 60 Cb -0.01 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.75 2kl4 s THR 60 CO -0.03 0.01 1.21 -0.44 -0.54 0.00 0.00 174.62 174.84 2kl4 s SER 61 N 1.74 3.95 0.46 3.99 0.01 0.14 -4.86 113.70 119.13 2kl4 s SER 61 Ca 0.73 0.46 0.21 0.00 1.31 0.00 0.00 55.95 58.66 2kl4 s SER 61 Cb -0.44 -0.77 1.12 0.00 0.21 0.00 0.00 66.02 66.14 2kl4 s SER 61 CO 0.32 -2.21 1.96 0.50 0.41 0.00 0.00 173.24 174.22 2kl4 h LYS 62 N -1.22 0.00 0.00 12.44 3.64 -2.01 -3.32 116.57 126.10 2kl4 h LYS 62 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2kl4 h LYS 62 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kl4 h LYS 62 CO 0.52 0.21 0.00 0.72 -2.27 0.00 0.00 179.45 178.63 2kl4 n HIS 63 N -3.82 0.00 -3.84 1.91 8.25 -1.26 -5.11 115.22 111.35 2kl4 n HIS 63 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2kl4 n HIS 63 Cb 0.31 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.44 2kl4 n HIS 63 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kl4 n HIS 64 N 0.00 -2.17 -5.24 4.41 1.44 -1.25 -2.53 115.22 109.88 2kl4 n HIS 64 Ca 0.00 -1.96 -0.32 0.00 -2.01 0.00 0.00 57.72 53.44 2kl4 n HIS 64 Cb 0.39 0.84 -0.16 0.00 0.12 0.00 0.00 29.99 31.17 2kl4 n HIS 64 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2kl4 s LEU 65 N 0.00 2.10 -0.21 2.39 0.20 -0.91 -0.68 118.68 121.56 2kl4 s LEU 65 Ca 0.19 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.42 2kl4 s LEU 65 Cb -0.04 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.29 2kl4 s LEU 65 CO 0.14 0.22 0.07 -0.44 -0.29 0.00 0.00 176.35 176.05 2kl4 s SER 66 N -0.04 5.46 0.02 3.68 0.01 -0.90 -2.57 113.70 119.36 2kl4 s SER 66 Ca -0.07 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2kl4 s SER 66 Cb -0.15 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2kl4 s SER 66 CO 0.05 0.08 0.06 -0.69 0.41 0.00 0.00 173.24 173.16 2kl4 s VAL 67 N 0.92 0.12 0.20 3.43 1.01 -0.74 -2.64 120.40 122.70 2kl4 s VAL 67 Ca 0.04 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 2kl4 s VAL 67 Cb -0.14 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.65 2kl4 s VAL 67 CO 0.03 -0.54 0.71 -0.55 0.00 0.00 0.00 175.10 174.74 2kl4 s SER 68 N -1.80 -0.38 -0.15 3.32 0.15 -1.23 -1.13 113.70 112.47 2kl4 s SER 68 Ca -0.10 -0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 2kl4 s SER 68 Cb -0.05 0.63 -0.10 0.00 -1.71 0.00 0.00 66.02 64.79 2kl4 s SER 68 CO -0.02 -1.09 0.07 1.55 1.20 0.00 0.00 173.24 174.94 2kl4 h PRO 69 N 2.00 0.00 0.00 5.44 0.13 -1.88 -3.16 132.00 134.53 2kl4 h PRO 69 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kl4 h PRO 69 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kl4 h PRO 69 CO 0.30 0.39 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 2kl4 n GLU 70 N -4.59 0.00 0.00 0.86 1.02 -1.26 -3.18 120.64 113.48 2kl4 n GLU 70 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2kl4 n GLU 70 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2kl4 n GLU 70 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kl4 n GLU 71 N -0.91 0.00 0.11 3.49 0.28 -1.26 -4.92 120.64 117.43 2kl4 n GLU 71 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2kl4 n GLU 71 Cb 0.00 -0.31 0.49 0.00 1.43 0.00 0.00 31.44 33.05 2kl4 n GLU 71 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 2kl4 h ILE 72 N 0.00 1.09 0.00 3.84 2.10 -1.98 -0.16 117.51 122.40 2kl4 h ILE 72 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2kl4 h ILE 72 Cb 0.00 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 2kl4 h ILE 72 CO 0.00 0.10 0.01 1.23 -1.08 0.00 0.00 178.15 178.40 2kl4 h GLY 73 N 0.41 0.00 -0.57 8.18 0.00 -1.94 0.48 103.07 109.63 2kl4 h GLY 73 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2kl4 h GLY 73 CO -0.01 0.00 -0.02 1.39 0.00 0.00 0.00 176.54 177.90 2kl4 n ILE 74 N -2.73 0.00 0.00 2.60 2.08 -0.12 -3.68 119.36 117.52 2kl4 n ILE 74 Ca -0.02 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.80 2kl4 n ILE 74 Cb 0.06 1.15 0.00 0.00 -0.75 0.00 0.00 39.64 40.10 2kl4 n ILE 74 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2kl4 n SER 75 N 0.32 0.00 0.07 4.38 2.88 0.10 -4.47 113.62 116.90 2kl4 n SER 75 Ca 0.04 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.37 2kl4 n SER 75 Cb 0.18 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.50 2kl4 n SER 75 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2kl4 h GLN 76 N 0.00 0.35 0.00 -1.46 3.07 -1.71 -3.26 115.11 112.10 2kl4 h GLN 76 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 58.65 58.14 2kl4 h GLN 76 Cb 0.00 0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.78 2kl4 h GLN 76 CO 0.00 1.29 0.00 1.19 0.09 0.00 0.00 178.83 181.40 2kl4 n PHE 77 N -3.98 0.78 0.08 0.06 3.01 -1.24 -2.78 117.46 113.39 2kl4 n PHE 77 Ca -0.17 0.29 0.06 0.00 1.01 0.00 0.00 57.45 58.64 2kl4 n PHE 77 Cb 0.91 -0.97 0.50 0.00 -0.01 0.00 0.00 39.48 39.91 2kl4 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kl4 h ALA 78 N 2.33 1.82 -0.28 4.37 0.00 -1.63 -1.67 119.26 124.19 2kl4 h ALA 78 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kl4 h ALA 78 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kl4 h ALA 78 CO 0.00 0.16 0.05 -0.44 0.00 0.00 0.00 179.25 179.02 2kl4 h ASP 79 N 0.37 0.45 -0.45 0.00 3.32 -1.73 -0.17 116.42 118.21 2kl4 h ASP 79 Ca 0.11 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 2kl4 h ASP 79 Cb -0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2kl4 h ASP 79 CO -0.02 0.59 -0.19 0.00 -1.72 0.00 0.00 179.24 177.90 2kl4 h ALA 80 N 0.87 0.63 -0.38 3.45 0.00 -1.68 -2.67 119.26 119.48 2kl4 h ALA 80 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2kl4 h ALA 80 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kl4 h ALA 80 CO 0.01 0.59 0.19 0.82 0.00 0.00 0.00 179.25 180.85 2kl4 h ILE 81 N 0.76 0.98 -0.03 0.00 2.04 -1.19 -3.16 117.51 116.90 2kl4 h ILE 81 Ca 0.10 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2kl4 h ILE 81 Cb 0.76 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2kl4 h ILE 81 CO 0.06 0.07 0.02 0.00 0.00 0.00 0.00 178.15 178.30 2kl4 h ALA 82 N 1.20 0.04 0.00 1.87 0.00 -0.81 -3.02 119.26 118.53 2kl4 h ALA 82 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kl4 h ALA 82 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kl4 h ALA 82 CO -0.11 -0.42 -0.11 1.96 0.00 0.00 0.00 179.25 180.57 2kl4 h GLN 83 N -0.03 0.00 -0.22 0.00 4.20 -1.49 -2.09 115.11 115.47 2kl4 h GLN 83 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2kl4 h GLN 83 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2kl4 h GLN 83 CO -0.00 0.11 0.09 0.00 -0.67 0.00 0.00 178.83 178.36 2kl4 h ALA 84 N 1.89 0.29 0.00 3.87 0.00 -1.50 -3.47 119.26 120.35 2kl4 h ALA 84 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kl4 h ALA 84 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kl4 h ALA 84 CO 0.01 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2kl4 n GLY 85 N -0.72 -0.20 3.31 0.00 0.00 -0.80 -5.17 105.19 101.62 2kl4 n GLY 85 Ca -0.03 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2kl4 n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kl4 s TYR 86 N 0.00 1.52 -0.24 1.61 2.02 -1.12 -5.03 117.35 116.11 2kl4 s TYR 86 Ca 0.00 -1.25 -0.01 0.00 -0.37 0.00 0.00 57.07 55.44 2kl4 s TYR 86 Cb 0.00 -0.86 0.07 0.00 -0.40 0.00 0.00 41.96 40.77 2kl4 s TYR 86 CO 0.00 -0.41 0.02 -1.12 -1.57 0.00 0.00 175.55 172.47 2kl4 s SER 87 N -3.32 3.59 1.13 2.29 0.01 -1.26 -4.52 113.70 111.61 2kl4 s SER 87 Ca 0.37 -1.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.27 2kl4 s SER 87 Cb 0.07 -0.90 0.23 0.00 0.21 0.00 0.00 66.02 65.63 2kl4 s SER 87 CO 0.14 -0.31 0.98 0.00 0.41 0.00 0.00 173.24 174.46 2kl4 n ALA 88 N 4.84 -2.23 -2.85 1.44 0.00 -1.26 -4.06 120.51 116.39 2kl4 n ALA 88 Ca -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2kl4 n ALA 88 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2kl4 n ALA 88 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kl4 n THR 89 N -4.09 0.00 -0.44 0.00 -2.24 0.52 -4.87 114.28 103.17 2kl4 n THR 89 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 2kl4 n THR 89 Cb 0.48 -0.62 0.33 0.00 -2.10 0.00 0.00 70.33 68.42 2kl4 n THR 89 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kl4 n LYS 90 N -0.29 3.00 0.00 -0.78 4.76 -1.26 -4.45 118.16 119.14 2kl4 n LYS 90 Ca 0.00 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.73 2kl4 n LYS 90 Cb 0.00 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 2kl4 n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kl4 n GLY 91 N 1.48 0.00 3.75 0.72 0.00 -1.26 -5.07 105.19 104.81 2kl4 n GLY 91 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 2kl4 n GLY 91 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl4 s LEU 92 N -3.77 0.05 0.30 0.99 0.05 -1.26 -4.89 118.68 110.14 2kl4 s LEU 92 Ca 0.00 -0.89 0.07 0.00 0.05 0.00 0.00 54.13 53.36 2kl4 s LEU 92 Cb 0.00 2.42 -0.03 0.00 -2.05 0.00 0.00 46.19 46.54 2kl4 s LEU 92 CO 0.00 -1.38 0.29 0.72 -0.55 0.00 0.00 176.35 175.43 2kl4 s PHE 93 N -3.47 3.07 -0.08 3.48 -0.12 -0.28 -0.35 117.98 120.22 2kl4 s PHE 93 Ca 0.16 -0.19 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 2kl4 s PHE 93 Cb -0.04 -1.67 0.05 0.00 -0.63 0.00 0.00 43.02 40.73 2kl4 s PHE 93 CO 0.10 0.30 0.15 -0.98 -0.05 0.00 0.00 175.22 174.74 2kl4 s ARG 94 N -3.97 0.03 0.04 1.99 1.04 -1.26 -1.80 118.95 115.03 2kl4 s ARG 94 Ca 0.38 0.54 -0.10 0.00 -1.04 0.00 0.00 55.73 55.51 2kl4 s ARG 94 Cb -0.07 -0.29 -0.06 0.00 -2.04 0.00 0.00 34.95 32.49 2kl4 s ARG 94 CO 0.27 -0.30 0.37 0.42 -0.04 0.00 0.00 175.30 176.02 2kl4 s ILE 95 N 2.23 5.13 0.67 4.99 -1.09 -1.06 -4.37 121.20 127.69 2kl4 s ILE 95 Ca 0.03 0.48 -0.15 0.00 -2.23 0.00 0.00 60.65 58.78 2kl4 s ILE 95 Cb -0.12 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 2kl4 s ILE 95 CO -0.05 0.38 1.12 -2.16 -1.23 0.00 0.00 174.94 172.99 2kl4 s PRO 96 N -1.67 2.73 0.39 2.79 0.04 -1.26 -2.14 135.00 135.87 2kl4 s PRO 96 Ca 0.29 1.41 0.28 0.00 0.04 0.00 0.00 61.00 63.02 2kl4 s PRO 96 Cb -0.14 -1.94 1.34 0.00 0.04 0.00 0.00 34.50 33.80 2kl4 s PRO 96 CO 0.16 -1.31 1.84 -1.49 0.04 0.00 0.00 177.00 176.24 2kl4 h TRP 97 N -0.04 0.00 0.34 0.56 -0.00 -1.82 -3.26 115.95 111.73 2kl4 h TRP 97 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.41 2kl4 h TRP 97 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 2kl4 h TRP 97 CO 0.54 0.00 -0.17 -0.97 -0.00 0.00 0.00 178.44 177.85 2kl4 h ASN 98 N 0.00 -0.39 -4.46 -3.49 -1.24 -1.91 -3.48 115.58 100.61 2kl4 h ASN 98 Ca 0.00 -0.11 -0.49 0.00 0.71 0.00 0.00 56.30 56.42 2kl4 h ASN 98 Cb 0.19 0.10 0.09 0.00 0.73 0.00 0.00 38.32 39.43 2kl4 h ASN 98 CO 0.00 0.07 0.39 -1.81 -1.29 0.00 0.00 177.43 174.79 2kl4 s ASP 99 N -5.07 5.00 1.24 1.15 1.11 -1.23 -5.07 116.67 113.79 2kl4 s ASP 99 Ca -0.10 1.09 -0.16 0.00 0.18 0.00 0.00 52.55 53.56 2kl4 s ASP 99 Cb 0.01 -1.81 0.30 0.00 1.07 0.00 0.00 42.92 42.49 2kl4 s ASP 99 CO 0.34 -1.62 1.01 -2.16 1.18 0.00 0.00 175.17 173.92 2kl4 s PRO 100 N -5.36 -1.47 0.49 8.23 0.04 -1.26 -4.89 135.00 130.78 2kl4 s PRO 100 Ca 0.60 0.47 0.06 0.00 0.04 0.00 0.00 61.00 62.17 2kl4 s PRO 100 Cb -0.12 -1.52 -0.00 0.00 0.04 0.00 0.00 34.50 32.90 2kl4 s PRO 100 CO 0.52 -4.00 0.29 0.54 0.04 0.00 0.00 177.00 174.39 2kl4 s VAL 101 N -2.52 1.89 -0.70 -0.36 0.11 -1.26 -4.93 120.40 112.63 2kl4 s VAL 101 Ca 0.68 -1.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.19 2kl4 s VAL 101 Cb -0.19 -2.48 0.19 0.00 -1.53 0.00 0.00 36.38 32.36 2kl4 s VAL 101 CO 0.61 0.00 0.56 1.41 -3.33 0.00 0.00 175.10 174.35 2kl4 n HIS 102 N -1.53 3.38 0.04 1.54 8.25 -1.26 -4.90 115.22 120.73 2kl4 n HIS 102 Ca -0.03 -4.28 0.17 0.00 -0.26 0.00 0.00 57.72 53.32 2kl4 n HIS 102 Cb 0.64 -0.63 0.66 0.00 1.12 0.00 0.00 29.99 31.79 2kl4 n HIS 102 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2kl4 h TYR 103 N 5.16 0.04 -0.33 4.41 -1.99 -1.98 -1.63 116.97 120.64 2kl4 h TYR 103 Ca 0.16 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 2kl4 h TYR 103 Cb 0.73 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 2kl4 h TYR 103 CO 0.70 0.02 -0.24 1.49 -0.00 0.00 0.00 178.16 180.13 2kl4 h GLU 104 N 0.04 0.66 0.02 4.88 4.81 -1.99 -0.08 114.58 122.91 2kl4 h GLU 104 Ca 0.21 -0.26 -0.24 0.00 -0.13 0.00 0.00 59.36 58.94 2kl4 h GLU 104 Cb 0.79 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.15 2kl4 h GLU 104 CO -0.01 0.84 -1.00 -0.07 -0.73 0.00 0.00 179.01 178.04 2kl4 h LEU 105 N 0.58 0.63 0.07 1.64 -0.00 -1.75 -2.72 115.31 113.76 2kl4 h LEU 105 Ca 0.08 -0.52 0.03 0.00 -0.00 0.00 0.00 57.88 57.47 2kl4 h LEU 105 Cb 0.71 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 41.13 2kl4 h LEU 105 CO 0.05 1.32 -0.33 -0.07 -0.00 0.00 0.00 178.44 179.42 2kl4 h LEU 106 N 0.26 -0.97 -0.03 1.67 3.38 -1.11 -2.55 115.31 115.96 2kl4 h LEU 106 Ca -0.10 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kl4 h LEU 106 Cb 1.65 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 2kl4 h LEU 106 CO 0.18 -0.41 0.01 0.07 0.09 0.00 0.00 178.44 178.39 2kl4 h LYS 107 N -0.52 0.05 -0.31 1.13 2.10 -1.08 -1.43 116.57 116.51 2kl4 h LYS 107 Ca 0.04 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.74 2kl4 h LYS 107 Cb 0.58 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.84 2kl4 h LYS 107 CO -0.23 0.18 -0.06 -0.56 -2.00 0.00 0.00 179.45 176.79 2kl4 h GLN 108 N -0.09 0.02 -0.20 0.07 3.07 -1.42 -1.01 115.11 115.54 2kl4 h GLN 108 Ca 0.01 -0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.56 2kl4 h GLN 108 Cb 0.15 -0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.71 2kl4 h GLN 108 CO -0.00 0.01 -0.63 0.00 0.09 0.00 0.00 178.83 178.31 2kl4 h MET 109 N 0.02 0.78 -0.12 0.06 -0.00 -1.41 -2.78 114.93 111.48 2kl4 h MET 109 Ca 0.15 -0.57 -0.05 0.00 -0.00 0.00 0.00 59.70 59.23 2kl4 h MET 109 Cb 0.22 0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2kl4 h MET 109 CO -0.30 1.19 -0.12 0.97 -0.00 0.00 0.00 176.91 178.65 2kl4 h ILE 110 N 0.52 1.35 -0.65 -0.10 -0.00 -0.78 0.66 117.51 118.52 2kl4 h ILE 110 Ca -0.02 -1.28 0.08 0.00 -0.00 0.00 0.00 64.86 63.65 2kl4 h ILE 110 Cb 1.25 1.91 -0.07 0.00 -0.00 0.00 0.00 36.82 39.92 2kl4 h ILE 110 CO 0.13 0.37 0.31 -0.33 -0.00 0.00 0.00 178.15 178.63 2kl4 h GLU 111 N -0.08 0.53 0.07 2.19 5.08 -1.30 -2.03 114.58 119.03 2kl4 h GLU 111 Ca 0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kl4 h GLU 111 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2kl4 h GLU 111 CO 0.03 0.35 -0.03 0.35 -1.00 0.00 0.00 179.01 178.71 2kl4 h PHE 112 N 0.54 -0.08 0.00 4.33 3.57 -1.38 -2.59 116.94 121.32 2kl4 h PHE 112 Ca 0.31 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2kl4 h PHE 112 Cb 0.32 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2kl4 h PHE 112 CO -0.12 0.18 -0.02 -0.97 -2.23 0.00 0.00 178.31 175.15 2kl4 h ASN 113 N -0.34 0.00 0.18 0.41 -0.00 -0.18 0.23 115.58 115.87 2kl4 h ASN 113 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 2kl4 h ASN 113 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2kl4 h ASN 113 CO 0.02 0.02 -0.08 0.40 -0.00 0.00 0.00 177.43 177.78 2kl4 h ILE 114 N 0.00 0.46 -0.10 2.57 2.04 -1.42 -3.33 117.51 117.73 2kl4 h ILE 114 Ca -0.00 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 2kl4 h ILE 114 Cb 0.06 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2kl4 h ILE 114 CO 0.00 0.13 -0.14 1.56 0.00 0.00 0.00 178.15 179.71 2kl4 h GLN 115 N -0.99 0.16 0.00 2.37 4.20 -0.65 -0.73 115.11 119.46 2kl4 h GLN 115 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2kl4 h GLN 115 Cb 0.40 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2kl4 h GLN 115 CO 0.04 0.30 0.00 -3.47 -0.67 0.00 0.00 178.83 175.03 2kl4 n ASP 116 N -4.30 0.00 0.00 1.46 2.03 0.62 -2.53 116.55 113.84 2kl4 n ASP 116 Ca -0.01 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.76 2kl4 n ASP 116 Cb 0.25 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2kl4 n ASP 116 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kl4 n LYS 117 N -1.09 -0.62 0.00 -0.67 4.76 -0.38 -5.04 118.16 115.12 2kl4 n LYS 117 Ca 0.16 -0.32 0.16 0.00 -2.87 0.00 0.00 58.31 55.45 2kl4 n LYS 117 Cb 0.12 -0.81 0.95 0.00 -1.84 0.00 0.00 35.03 33.44 2kl4 n LYS 117 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12