#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 s SER 2 N 0.00 6.07 0.00 1.61 0.01 -1.26 -4.99 113.70 115.14 2kl4 s SER 2 Ca 0.00 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2kl4 s SER 2 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2kl4 s SER 2 CO 0.00 -0.98 0.00 0.00 0.41 0.00 0.00 173.24 172.67 2kl4 n HIS 3 N -2.68 0.00 0.14 2.43 -0.00 -1.26 -4.84 115.22 109.00 2kl4 n HIS 3 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.87 2kl4 n HIS 3 Cb 0.54 0.00 0.43 0.00 -0.00 0.00 0.00 29.99 30.96 2kl4 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2kl4 n MET 4 N -0.89 0.10 0.12 -1.40 0.00 -1.26 -1.45 117.12 112.34 2kl4 n MET 4 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 57.70 58.26 2kl4 n MET 4 Cb 0.03 -1.94 0.10 0.00 0.00 0.00 0.00 33.22 31.41 2kl4 n MET 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2kl4 h GLU 5 N 0.00 0.02 -0.11 0.03 4.39 -2.00 -2.34 114.58 114.57 2kl4 h GLU 5 Ca 0.00 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2kl4 h GLU 5 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2kl4 h GLU 5 CO 0.00 0.72 -0.52 0.28 -1.16 0.00 0.00 179.01 178.33 2kl4 h VAL 6 N 0.01 1.35 -0.02 3.13 2.07 -1.62 -3.25 116.25 117.92 2kl4 h VAL 6 Ca -0.01 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2kl4 h VAL 6 Cb 1.25 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2kl4 h VAL 6 CO 0.09 0.53 -0.21 0.49 0.02 0.00 0.00 177.57 178.49 2kl4 n PHE 7 N -3.95 0.00 0.05 1.57 3.72 -1.21 -4.56 117.46 113.09 2kl4 n PHE 7 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.26 2kl4 n PHE 7 Cb 0.56 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.04 2kl4 n PHE 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 h ALA 8 N 3.74 -0.07 0.00 4.37 0.00 -1.45 -1.00 119.26 124.85 2kl4 h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kl4 h ALA 8 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kl4 h ALA 8 CO 0.00 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.08 2kl4 n GLU 9 N -5.18 0.12 0.05 0.00 1.02 -1.26 -2.26 120.64 113.13 2kl4 n GLU 9 Ca -0.06 0.37 -0.07 0.00 -0.02 0.00 0.00 57.16 57.37 2kl4 n GLU 9 Cb 0.11 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 2kl4 n GLU 9 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2kl4 h TYR 10 N 0.00 -0.20 -0.68 -0.32 3.20 -1.48 -3.37 116.97 114.12 2kl4 h TYR 10 Ca 0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2kl4 h TYR 10 Cb 0.31 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 2kl4 h TYR 10 CO 0.00 0.11 0.33 -0.07 -1.64 0.00 0.00 178.16 176.88 2kl4 h LEU 11 N -0.99 0.42 -1.78 2.82 -0.00 -0.96 -0.54 115.31 114.28 2kl4 h LEU 11 Ca -0.02 0.06 0.17 0.00 -0.00 0.00 0.00 57.88 58.09 2kl4 h LEU 11 Cb 0.40 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.01 2kl4 h LEU 11 CO 0.04 0.25 0.49 0.07 -0.00 0.00 0.00 178.44 179.29 2kl4 h LYS 12 N 0.57 0.20 0.00 1.13 2.10 -1.65 -2.57 116.57 116.35 2kl4 h LYS 12 Ca 0.33 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2kl4 h LYS 12 Cb 0.35 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2kl4 h LYS 12 CO -0.26 0.14 -0.24 0.78 -2.00 0.00 0.00 179.45 177.86 2kl4 h GLY 13 N 0.21 0.00 -6.11 0.07 0.00 -1.24 -3.44 103.07 92.56 2kl4 h GLY 13 Ca 0.35 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.11 2kl4 h GLY 13 CO -0.07 0.00 1.14 -0.42 0.00 0.00 0.00 176.54 177.19 2kl4 s ILE 14 N -3.21 3.67 -2.02 2.60 1.01 -0.97 -4.87 121.20 117.41 2kl4 s ILE 14 Ca 0.07 0.75 0.13 0.00 0.00 0.00 0.00 60.65 61.59 2kl4 s ILE 14 Cb 0.08 -3.69 0.37 0.00 0.01 0.00 0.00 42.46 39.23 2kl4 s ILE 14 CO 0.68 -0.30 1.49 0.47 0.00 0.00 0.00 174.94 177.28 2kl4 n ASP 15 N 8.58 0.14 -3.52 3.58 8.00 -1.26 -4.42 116.55 127.64 2kl4 n ASP 15 Ca 0.19 -1.62 -0.27 0.00 0.71 0.00 0.00 54.79 53.81 2kl4 n ASP 15 Cb 0.45 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.45 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kl4 n HIS 16 N -0.61 2.09 0.18 1.24 8.25 -1.26 -4.97 115.22 120.13 2kl4 n HIS 16 Ca 0.10 -3.96 0.08 0.00 -0.26 0.00 0.00 57.72 53.68 2kl4 n HIS 16 Cb 0.07 -0.41 0.60 0.00 1.12 0.00 0.00 29.99 31.36 2kl4 n HIS 16 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kl4 h PRO 17 N 4.73 0.11 0.00 -0.41 0.13 -1.99 0.33 132.00 134.90 2kl4 h PRO 17 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kl4 h PRO 17 Cb 0.77 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kl4 h PRO 17 CO 0.66 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.25 2kl4 n ASP 18 N -4.51 0.00 0.00 1.44 8.00 -1.26 -2.73 116.55 117.49 2kl4 n ASP 18 Ca -0.00 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2kl4 n ASP 18 Cb 0.14 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2kl4 n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kl4 n HIS 19 N -1.10 0.00 -0.20 1.24 8.25 -0.80 -4.76 115.22 117.85 2kl4 n HIS 19 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2kl4 n HIS 19 Cb 0.08 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.28 2kl4 n HIS 19 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2kl4 h ARG 20 N 0.00 0.09 -0.63 -0.41 1.12 -0.80 -3.02 114.38 110.73 2kl4 h ARG 20 Ca 0.00 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2kl4 h ARG 20 Cb 0.37 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.28 2kl4 h ARG 20 CO 0.00 0.06 0.31 0.22 -3.11 0.00 0.00 179.97 177.45 2kl4 h ASP 21 N 0.09 0.79 0.14 -3.80 3.58 -1.79 0.73 116.42 116.16 2kl4 h ASP 21 Ca 0.31 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 2kl4 h ASP 21 Cb 0.50 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2kl4 h ASP 21 CO -0.54 0.66 -0.16 0.03 -2.88 0.00 0.00 179.24 176.35 2kl4 h ARG 22 N 0.88 0.07 -0.23 0.28 3.08 -1.85 -2.62 114.38 113.99 2kl4 h ARG 22 Ca 0.22 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 2kl4 h ARG 22 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2kl4 h ARG 22 CO -0.03 0.23 -0.48 1.15 -1.07 0.00 0.00 179.97 179.77 2kl4 h THR 23 N 0.06 1.30 -0.81 2.04 2.02 -0.88 -2.91 112.91 113.73 2kl4 h THR 23 Ca 0.01 -1.69 0.17 0.00 0.77 0.00 0.00 66.41 65.67 2kl4 h THR 23 Cb 0.33 1.78 -0.10 0.00 -1.74 0.00 0.00 68.15 68.42 2kl4 h THR 23 CO 0.02 0.54 0.34 -0.33 0.37 0.00 0.00 175.52 176.46 2kl4 h GLU 24 N 0.46 0.44 0.00 6.66 4.39 -1.05 -1.84 114.58 123.64 2kl4 h GLU 24 Ca 0.01 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2kl4 h GLU 24 Cb 1.09 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2kl4 h GLU 24 CO 0.11 0.29 -0.15 0.93 -1.16 0.00 0.00 179.01 179.03 2kl4 h GLU 25 N 0.45 0.00 -0.04 2.33 5.08 -1.31 -2.32 114.58 118.77 2kl4 h GLU 25 Ca 0.46 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.76 2kl4 h GLU 25 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2kl4 h GLU 25 CO -0.44 0.15 -0.23 0.82 -1.00 0.00 0.00 179.01 178.31 2kl4 h ILE 26 N 0.00 1.46 0.46 3.13 2.04 -1.30 -3.23 117.51 120.07 2kl4 h ILE 26 Ca -0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 2kl4 h ILE 26 Cb 0.31 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2kl4 h ILE 26 CO 0.02 0.47 -0.33 -0.07 0.00 0.00 0.00 178.15 178.24 2kl4 h LEU 27 N -0.33 -0.87 -1.91 1.44 3.38 -0.87 -0.24 115.31 115.91 2kl4 h LEU 27 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kl4 h LEU 27 Cb 0.89 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kl4 h LEU 27 CO 0.05 -0.48 -0.12 0.28 0.09 0.00 0.00 178.44 178.25 2kl4 h SER 28 N -0.76 0.00 -0.37 -0.43 0.02 -1.74 -2.41 113.55 107.87 2kl4 h SER 28 Ca -0.06 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 2kl4 h SER 28 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2kl4 h SER 28 CO 0.03 0.12 -0.18 -0.25 -1.14 0.00 0.00 176.83 175.41 2kl4 h TRP 29 N 0.00 0.90 -0.17 3.45 7.01 -1.44 -0.72 115.95 124.97 2kl4 h TRP 29 Ca -0.00 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 60.78 2kl4 h TRP 29 Cb 0.31 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2kl4 h TRP 29 CO 0.00 0.96 0.10 0.28 -2.79 0.00 0.00 178.44 177.00 2kl4 h VAL 30 N 0.57 1.03 -0.02 2.65 2.07 -0.58 0.22 116.25 122.19 2kl4 h VAL 30 Ca 0.08 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2kl4 h VAL 30 Cb 0.73 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2kl4 h VAL 30 CO 0.05 0.04 0.02 0.00 0.02 0.00 0.00 177.57 177.70 2kl4 h ALA 31 N 1.07 1.96 0.10 1.67 0.00 -1.32 -0.12 119.26 122.62 2kl4 h ALA 31 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kl4 h ALA 31 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kl4 h ALA 31 CO -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 2kl4 h ALA 32 N 1.99 -0.13 0.00 0.00 0.00 -0.54 -3.31 119.26 117.26 2kl4 h ALA 32 Ca 0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2kl4 h ALA 32 Cb 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2kl4 h ALA 32 CO -0.00 -0.15 -0.85 1.15 0.00 0.00 0.00 179.25 179.41 2kl4 h THR 33 N -0.99 1.51 -2.10 0.00 2.02 -0.79 -3.36 112.91 109.20 2kl4 h THR 33 Ca -0.01 -3.01 -0.55 0.00 0.77 0.00 0.00 66.41 63.61 2kl4 h THR 33 Cb 0.39 2.67 -0.41 0.00 -1.74 0.00 0.00 68.15 69.07 2kl4 h THR 33 CO 0.02 0.83 -0.93 0.49 0.37 0.00 0.00 175.52 176.30 2kl4 n PHE 34 N -3.38 1.59 0.46 3.16 3.72 -0.07 -4.97 117.46 117.97 2kl4 n PHE 34 Ca 0.00 -3.86 0.10 0.00 -0.05 0.00 0.00 57.45 53.65 2kl4 n PHE 34 Cb 0.85 -0.44 0.43 0.00 -0.94 0.00 0.00 39.48 39.38 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 0.55 0.13 0.21 -1.08 -0.04 -1.25 -2.20 135.00 131.32 2kl4 n PRO 35 Ca 0.26 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 64.21 2kl4 n PRO 35 Cb 0.52 -1.74 0.47 0.00 -0.04 0.00 0.00 33.50 32.71 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 -4.15 3.54 -1.24 -1.93 -3.43 115.58 108.37 2kl4 h ASN 36 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2kl4 h ASN 36 Cb 0.35 0.00 0.09 0.00 0.73 0.00 0.00 38.32 39.49 2kl4 h ASN 36 CO 0.00 0.00 0.40 -0.76 -1.29 0.00 0.00 177.43 175.78 2kl4 s LEU 37 N -5.61 3.53 0.02 0.34 1.43 -0.93 -3.47 118.68 113.98 2kl4 s LEU 37 Ca 0.05 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.31 2kl4 s LEU 37 Cb 0.08 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 2kl4 s LEU 37 CO 0.55 -1.51 -0.20 -1.61 0.23 0.00 0.00 176.35 173.82 2kl4 s GLU 38 N -3.76 1.47 0.24 1.70 0.41 0.24 -4.90 118.70 114.10 2kl4 s GLU 38 Ca 0.70 -0.83 -0.30 0.00 -0.41 0.00 0.00 54.97 54.13 2kl4 s GLU 38 Cb -0.22 -1.51 -0.09 0.00 -1.78 0.00 0.00 34.13 30.53 2kl4 s GLU 38 CO 0.36 0.40 1.19 -1.25 -0.49 0.00 0.00 175.26 175.47 2kl4 s PRO 39 N -0.86 4.51 -0.11 0.39 0.04 -1.26 -0.87 135.00 136.85 2kl4 s PRO 39 Ca 0.07 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 2kl4 s PRO 39 Cb -0.08 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.30 2kl4 s PRO 39 CO 0.01 -0.01 0.27 -1.14 0.04 0.00 0.00 177.00 176.16 2kl4 s GLN 40 N -0.85 0.28 -0.32 4.56 0.74 -0.67 -4.85 119.66 118.54 2kl4 s GLN 40 Ca 0.50 0.45 -0.09 0.00 0.05 0.00 0.00 55.36 56.27 2kl4 s GLN 40 Cb -0.34 0.04 0.01 0.00 1.10 0.00 0.00 33.01 33.82 2kl4 s GLN 40 CO 0.41 -0.09 0.14 1.41 -0.55 0.00 0.00 175.29 176.61 2kl4 s MET 41 N 0.64 3.13 -0.02 1.67 -2.45 -1.26 -2.10 119.30 118.90 2kl4 s MET 41 Ca -0.04 -0.85 -0.08 0.00 -1.25 0.00 0.00 55.69 53.47 2kl4 s MET 41 Cb -0.05 -3.54 0.01 0.00 1.25 0.00 0.00 34.83 32.49 2kl4 s MET 41 CO -0.04 -0.49 0.17 0.21 1.05 0.00 0.00 175.02 175.92 2kl4 s LYS 42 N 1.56 0.42 -1.70 4.11 2.47 -1.01 -4.84 119.74 120.76 2kl4 s LYS 42 Ca 0.03 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 2kl4 s LYS 42 Cb -0.18 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 2kl4 s LYS 42 CO 0.05 -0.09 0.00 0.91 0.16 0.00 0.00 175.35 176.38 2kl4 n TRP 43 N 1.89 -0.33 -1.40 4.03 7.02 -1.26 -0.20 117.44 127.19 2kl4 n TRP 43 Ca -0.20 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.14 2kl4 n TRP 43 Cb 0.56 -2.99 -0.06 0.00 -2.42 0.00 0.00 31.31 26.41 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 -0.97 -4.97 -4.59 -0.99 5.15 -1.26 -5.00 115.26 102.62 2kl4 n ASN 44 Ca -0.17 0.36 -0.33 0.00 -0.60 0.00 0.00 54.58 53.85 2kl4 n ASN 44 Cb 0.55 -4.11 -0.11 0.00 -0.53 0.00 0.00 39.78 35.58 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 -2.22 3.67 0.07 -0.44 -4.23 0.72 -4.98 115.64 108.24 2kl4 s THR 45 Ca 0.00 -0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.52 2kl4 s THR 45 Cb 0.00 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 2kl4 s THR 45 CO 0.00 0.45 1.36 -2.16 -0.54 0.00 0.00 174.62 173.74 2kl4 s PRO 46 N -1.24 4.33 0.19 3.99 0.04 -1.22 -2.39 135.00 138.69 2kl4 s PRO 46 Ca 0.16 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 2kl4 s PRO 46 Cb -0.11 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2kl4 s PRO 46 CO 0.06 -0.45 0.18 0.00 0.04 0.00 0.00 177.00 176.83 2kl4 s MET 47 N 1.46 1.20 -0.34 4.56 0.23 -0.89 -2.17 119.30 123.34 2kl4 s MET 47 Ca 0.63 -1.50 -0.01 0.00 -1.03 0.00 0.00 55.69 53.79 2kl4 s MET 47 Cb -0.34 0.30 0.13 0.00 -1.53 0.00 0.00 34.83 33.40 2kl4 s MET 47 CO 0.29 -0.41 0.20 -0.06 -2.03 0.00 0.00 175.02 173.01 2kl4 s PHE 48 N -4.10 0.62 0.02 3.16 0.08 -1.26 -1.67 117.98 114.84 2kl4 s PHE 48 Ca 0.32 -1.48 -0.30 0.00 0.12 0.00 0.00 56.93 55.59 2kl4 s PHE 48 Cb 0.06 -0.89 -0.07 0.00 -0.57 0.00 0.00 43.02 41.54 2kl4 s PHE 48 CO 0.09 -0.83 1.69 -1.54 -0.10 0.00 0.00 175.22 174.52 2kl4 s SER 49 N 1.24 6.61 -0.89 1.36 1.04 -0.05 -4.41 113.70 118.60 2kl4 s SER 49 Ca 0.17 2.41 -0.25 0.00 0.48 0.00 0.00 55.95 58.77 2kl4 s SER 49 Cb -0.22 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 2kl4 s SER 49 CO -0.05 -0.92 1.85 0.21 0.98 0.00 0.00 173.24 175.31 2kl4 s ASN 50 N 2.98 5.38 -0.80 7.02 2.47 -1.26 -0.59 114.94 130.15 2kl4 s ASN 50 Ca 0.75 -0.71 0.00 0.00 0.42 0.00 0.00 52.86 53.32 2kl4 s ASN 50 Cb -0.38 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 36.86 2kl4 s ASN 50 CO 0.32 -2.50 0.00 0.00 -3.72 0.00 0.00 177.10 171.20 2kl4 n GLN 51 N 8.90 -1.35 0.00 0.43 6.02 -1.23 -2.53 117.38 127.62 2kl4 n GLN 51 Ca 0.37 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 2kl4 n GLN 51 Cb 0.48 -4.51 0.00 0.00 1.02 0.00 0.00 30.24 27.23 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 -0.06 0.82 0.00 1.08 0.00 -1.24 -5.10 105.19 100.69 2kl4 n GLY 52 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 -2.45 2.61 -1.04 -1.05 -4.92 114.28 107.43 2kl4 n THR 53 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2kl4 n THR 53 Cb 0.00 -1.81 0.03 0.00 -1.82 0.00 0.00 70.33 66.72 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 -1.69 2.20 1.46 -1.42 7.35 -1.26 -4.16 117.46 119.94 2kl4 n PHE 54 Ca 0.00 -2.48 0.12 0.00 -0.76 0.00 0.00 57.45 54.33 2kl4 n PHE 54 Cb 0.00 -0.26 0.71 0.00 0.35 0.00 0.00 39.48 40.28 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 -0.52 0.06 -3.49 -2.13 5.41 -1.26 -4.70 119.36 112.72 2kl4 n ILE 55 Ca 0.27 0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.93 2kl4 n ILE 55 Cb 0.83 -0.62 -0.03 0.00 -0.71 0.00 0.00 39.64 39.11 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 -2.15 0.00 0.00 1.39 2.07 -1.11 -4.20 121.20 117.21 2kl4 s ILE 56 Ca 0.34 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 2kl4 s ILE 56 Cb 0.17 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.76 2kl4 s ILE 56 CO 0.31 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 2kl4 n GLY 57 N -0.02 1.84 3.31 1.50 0.00 -1.25 -4.20 105.19 106.37 2kl4 n GLY 57 Ca -0.12 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2kl4 n GLY 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kl4 s PHE 58 N -0.62 1.48 0.06 1.61 -0.12 -0.92 -4.25 117.98 115.22 2kl4 s PHE 58 Ca 0.00 -0.86 -0.13 0.00 -0.05 0.00 0.00 56.93 55.89 2kl4 s PHE 58 Cb 0.00 -0.82 0.02 0.00 -0.63 0.00 0.00 43.02 41.58 2kl4 s PHE 58 CO 0.00 0.01 0.28 -1.54 -0.05 0.00 0.00 175.22 173.92 2kl4 s SER 59 N -3.27 -0.07 0.52 1.98 1.04 -1.16 -3.42 113.70 109.32 2kl4 s SER 59 Ca 0.25 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 56.13 2kl4 s SER 59 Cb 0.05 0.36 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 2kl4 s SER 59 CO 0.06 -0.67 1.36 0.35 0.98 0.00 0.00 173.24 175.32 2kl4 n THR 60 N 0.34 3.50 -4.42 2.02 -2.24 -1.26 -1.64 114.28 110.57 2kl4 n THR 60 Ca -0.17 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.88 2kl4 n THR 60 Cb 0.61 -1.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.07 2kl4 n THR 60 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kl4 s SER 61 N -0.79 2.28 0.13 3.42 0.01 -0.26 -4.85 113.70 113.63 2kl4 s SER 61 Ca 0.69 -1.67 -0.29 0.00 1.31 0.00 0.00 55.95 55.98 2kl4 s SER 61 Cb -0.43 0.50 -0.06 0.00 0.21 0.00 0.00 66.02 66.23 2kl4 s SER 61 CO 0.52 -0.96 1.58 0.11 0.41 0.00 0.00 173.24 174.90 2kl4 h LYS 62 N 1.96 -0.49 0.00 12.44 6.56 -1.97 -3.31 116.57 131.75 2kl4 h LYS 62 Ca -0.32 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2kl4 h LYS 62 Cb 1.26 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 2kl4 h LYS 62 CO 0.51 -0.33 0.00 -2.39 -2.06 0.00 0.00 179.45 175.18 2kl4 n HIS 63 N -5.44 0.00 -4.07 -1.35 1.44 -1.26 -5.06 115.22 99.48 2kl4 n HIS 63 Ca -0.05 -0.15 -0.10 0.00 -2.01 0.00 0.00 57.72 55.41 2kl4 n HIS 63 Cb 0.36 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.38 2kl4 n HIS 63 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kl4 s HIS 64 N -0.30 0.68 0.64 -1.40 -3.43 -1.25 -1.47 115.29 108.77 2kl4 s HIS 64 Ca 0.00 -1.00 -0.04 0.00 -0.80 0.00 0.00 55.06 53.23 2kl4 s HIS 64 Cb 0.00 -0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.02 2kl4 s HIS 64 CO 0.00 -0.77 0.92 -1.17 -2.00 0.00 0.00 174.74 171.72 2kl4 s LEU 65 N -3.06 3.02 -0.12 5.38 2.96 -0.92 -1.10 118.68 124.84 2kl4 s LEU 65 Ca 0.27 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 2kl4 s LEU 65 Cb 0.04 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.66 2kl4 s LEU 65 CO 0.07 -1.38 -0.23 -0.94 -1.32 0.00 0.00 176.35 172.55 2kl4 s SER 66 N -4.46 3.09 0.04 3.68 1.04 -0.65 -3.85 113.70 112.58 2kl4 s SER 66 Ca 0.58 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2kl4 s SER 66 Cb -0.11 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 2kl4 s SER 66 CO 0.43 0.12 -0.08 -0.69 0.98 0.00 0.00 173.24 173.99 2kl4 s VAL 67 N 0.56 0.60 0.10 5.02 1.01 -0.74 -3.01 120.40 123.95 2kl4 s VAL 67 Ca -0.13 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 2kl4 s VAL 67 Cb -0.17 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.66 2kl4 s VAL 67 CO 0.04 -0.26 0.89 -0.55 0.00 0.00 0.00 175.10 175.22 2kl4 s SER 68 N -1.31 -0.28 -0.13 3.32 0.15 -1.26 -1.00 113.70 113.19 2kl4 s SER 68 Ca -0.07 -0.23 -0.09 0.00 0.70 0.00 0.00 55.95 56.26 2kl4 s SER 68 Cb -0.08 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.63 2kl4 s SER 68 CO 0.00 -0.83 0.12 1.55 1.20 0.00 0.00 173.24 175.29 2kl4 h PRO 69 N 2.00 0.00 0.00 5.44 0.13 -1.92 -3.31 132.00 134.34 2kl4 h PRO 69 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2kl4 h PRO 69 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kl4 h PRO 69 CO 0.28 0.26 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2kl4 n GLU 70 N -4.68 0.00 0.00 0.86 1.02 -1.26 -2.73 120.64 113.85 2kl4 n GLU 70 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2kl4 n GLU 70 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 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 -0.37 0.00 -0.11 3.49 0.28 -1.26 -4.76 120.64 117.92 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 -0.35 0.38 0.00 1.43 0.00 0.00 31.44 32.90 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 1.07 0.00 3.84 2.10 -1.98 0.12 117.51 122.66 2kl4 h ILE 72 Ca 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.71 2kl4 h ILE 72 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 36.06 2kl4 h ILE 72 CO 0.00 0.12 0.08 1.23 -1.08 0.00 0.00 178.15 178.51 2kl4 h GLY 73 N 0.68 0.00 0.00 8.18 0.00 -1.94 0.10 103.07 110.09 2kl4 h GLY 73 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2kl4 h GLY 73 CO -0.07 0.00 -0.84 1.39 0.00 0.00 0.00 176.54 177.03 2kl4 n ILE 74 N -2.43 0.00 -0.08 2.60 2.08 0.38 -2.44 119.36 119.47 2kl4 n ILE 74 Ca -0.02 -0.26 -0.14 0.00 0.56 0.00 0.00 62.75 62.89 2kl4 n ILE 74 Cb 0.12 0.69 -0.05 0.00 -0.75 0.00 0.00 39.64 39.66 2kl4 n ILE 74 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2kl4 n SER 75 N -1.46 1.66 -0.03 4.38 7.64 -0.92 -4.45 113.62 120.44 2kl4 n SER 75 Ca 0.00 0.28 -0.00 0.00 1.01 0.00 0.00 58.87 60.16 2kl4 n SER 75 Cb 0.17 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2kl4 n SER 75 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2kl4 h GLN 76 N -0.78 0.00 0.00 1.43 5.75 -1.08 -3.36 115.11 117.07 2kl4 h GLN 76 Ca -0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2kl4 h GLN 76 Cb 1.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.64 2kl4 h GLN 76 CO -0.15 0.00 0.00 1.19 -2.65 0.00 0.00 178.83 177.22 2kl4 n PHE 77 N -3.81 0.00 0.04 3.99 3.01 -1.04 -2.45 117.46 117.20 2kl4 n PHE 77 Ca -0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 2kl4 n PHE 77 Cb 0.02 -0.46 0.63 0.00 -0.01 0.00 0.00 39.48 39.66 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 2.70 2.27 -0.44 4.37 0.00 -1.63 -1.65 119.26 124.88 2kl4 h ALA 78 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kl4 h ALA 78 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kl4 h ALA 78 CO 0.00 -0.39 0.14 -0.44 0.00 0.00 0.00 179.25 178.57 2kl4 h ASP 79 N 0.10 0.64 0.92 0.00 3.32 -1.71 0.24 116.42 119.94 2kl4 h ASP 79 Ca 0.20 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2kl4 h ASP 79 Cb 0.67 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2kl4 h ASP 79 CO -0.02 0.67 -0.83 0.00 -1.72 0.00 0.00 179.24 177.34 2kl4 h ALA 80 N 1.00 0.58 -0.13 3.45 0.00 -1.60 -0.50 119.26 122.05 2kl4 h ALA 80 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2kl4 h ALA 80 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kl4 h ALA 80 CO -0.01 1.04 0.09 0.82 0.00 0.00 0.00 179.25 181.19 2kl4 h ILE 81 N 0.00 1.04 0.00 0.00 2.04 -1.14 -0.82 117.51 118.64 2kl4 h ILE 81 Ca -0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2kl4 h ILE 81 Cb 1.51 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2kl4 h ILE 81 CO 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 178.15 178.25 2kl4 h ALA 82 N 1.04 -0.05 -0.20 1.87 0.00 -0.69 -1.21 119.26 120.01 2kl4 h ALA 82 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2kl4 h ALA 82 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kl4 h ALA 82 CO -0.01 -0.54 0.14 1.96 0.00 0.00 0.00 179.25 180.80 2kl4 h GLN 83 N -0.09 0.01 -0.71 0.00 4.20 -1.04 -1.00 115.11 116.49 2kl4 h GLN 83 Ca 0.02 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2kl4 h GLN 83 Cb 0.11 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2kl4 h GLN 83 CO -0.05 0.00 0.20 0.00 -0.67 0.00 0.00 178.83 178.32 2kl4 h ALA 84 N 1.90 0.93 0.00 3.87 0.00 -0.27 -3.47 119.26 122.22 2kl4 h ALA 84 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kl4 h ALA 84 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kl4 h ALA 84 CO -0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2kl4 n GLY 85 N -0.71 0.95 3.95 0.00 0.00 -0.38 -5.11 105.19 103.89 2kl4 n GLY 85 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.78 2.23 0.40 1.61 2.02 -0.54 -4.95 117.35 117.35 2kl4 s TYR 86 Ca 0.00 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.89 2kl4 s TYR 86 Cb 0.00 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 2kl4 s TYR 86 CO 0.00 -1.71 0.08 0.45 -1.57 0.00 0.00 175.55 172.80 2kl4 s SER 87 N -4.65 2.89 0.24 2.29 0.15 -1.26 -3.68 113.70 109.67 2kl4 s SER 87 Ca 0.65 -1.56 0.04 0.00 0.70 0.00 0.00 55.95 55.78 2kl4 s SER 87 Cb -0.08 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 2kl4 s SER 87 CO 0.46 -0.79 0.15 0.00 1.20 0.00 0.00 173.24 174.26 2kl4 n ALA 88 N -0.89 0.44 -3.35 5.45 0.00 -1.26 -4.03 120.51 116.87 2kl4 n ALA 88 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.05 2kl4 n ALA 88 Cb 0.66 1.00 0.00 0.00 0.00 0.00 0.00 19.45 21.11 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 -0.49 0.00 1.97 0.00 -2.24 0.30 -4.87 114.28 108.95 2kl4 n THR 89 Ca 0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 2kl4 n THR 89 Cb 0.40 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.00 0.99 0.00 -0.78 4.76 -1.26 -4.41 118.16 117.46 2kl4 n LYS 90 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kl4 n LYS 90 Cb 0.00 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 0.68 0.52 1.28 0.72 0.00 -1.26 -5.10 105.19 102.03 2kl4 n GLY 91 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2kl4 n GLY 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kl4 n LEU 92 N 0.00 0.00 -4.25 0.99 -0.00 -1.26 -4.72 117.00 107.76 2kl4 n LEU 92 Ca 0.00 -0.88 -0.14 0.00 -0.00 0.00 0.00 56.01 54.99 2kl4 n LEU 92 Cb 0.00 1.30 -0.10 0.00 -0.00 0.00 0.00 43.42 44.62 2kl4 n LEU 92 CO 0.00 -0.29 -0.31 0.72 -0.00 0.00 0.00 177.39 177.51 2kl4 s PHE 93 N -6.63 1.26 -0.34 1.47 -0.12 -0.17 -0.54 117.98 112.91 2kl4 s PHE 93 Ca 0.05 -1.06 -0.00 0.00 -0.05 0.00 0.00 56.93 55.87 2kl4 s PHE 93 Cb -0.02 -0.72 0.14 0.00 -0.63 0.00 0.00 43.02 41.79 2kl4 s PHE 93 CO 0.04 -0.25 0.20 1.03 -0.05 0.00 0.00 175.22 176.19 2kl4 s ARG 94 N -3.95 0.50 0.15 1.99 1.81 -1.26 -1.78 118.95 116.41 2kl4 s ARG 94 Ca 0.27 -1.23 -0.22 0.00 -1.72 0.00 0.00 55.73 52.83 2kl4 s ARG 94 Cb 0.06 -1.28 -0.08 0.00 -0.45 0.00 0.00 34.95 33.21 2kl4 s ARG 94 CO 0.06 -1.19 0.70 0.42 -0.68 0.00 0.00 175.30 174.61 2kl4 s ILE 95 N 1.20 4.54 0.55 1.52 1.09 -1.25 -4.81 121.20 124.04 2kl4 s ILE 95 Ca 0.17 1.44 -0.15 0.00 -1.10 0.00 0.00 60.65 61.01 2kl4 s ILE 95 Cb -0.22 -3.99 -0.06 0.00 -1.06 0.00 0.00 42.46 37.12 2kl4 s ILE 95 CO -0.04 0.46 1.01 -2.16 -0.10 0.00 0.00 174.94 174.11 2kl4 s PRO 96 N -1.34 3.76 0.62 2.79 0.04 -1.26 -2.17 135.00 137.45 2kl4 s PRO 96 Ca 0.35 0.95 0.41 0.00 0.04 0.00 0.00 61.00 62.75 2kl4 s PRO 96 Cb -0.20 -2.11 2.07 0.00 0.04 0.00 0.00 34.50 34.30 2kl4 s PRO 96 CO 0.23 -0.43 2.24 -1.49 0.04 0.00 0.00 177.00 177.59 2kl4 h TRP 97 N 0.55 0.00 -0.23 0.56 -0.00 -1.61 -1.91 115.95 113.31 2kl4 h TRP 97 Ca -0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.36 2kl4 h TRP 97 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.35 2kl4 h TRP 97 CO 0.63 0.00 -0.13 -0.97 -0.00 0.00 0.00 178.44 177.98 2kl4 h ASN 98 N 0.00 0.52 -3.46 -3.49 -1.24 -1.92 -3.47 115.58 102.51 2kl4 h ASN 98 Ca 0.00 -0.42 -0.53 0.00 0.71 0.00 0.00 56.30 56.06 2kl4 h ASN 98 Cb 0.17 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2kl4 h ASN 98 CO 0.00 0.83 -0.09 -1.81 -1.29 0.00 0.00 177.43 175.06 2kl4 s ASP 99 N -6.20 6.63 -0.14 1.15 1.11 -0.72 -5.03 116.67 113.48 2kl4 s ASP 99 Ca -0.13 0.95 -0.29 0.00 0.18 0.00 0.00 52.55 53.25 2kl4 s ASP 99 Cb 0.07 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.81 2kl4 s ASP 99 CO 0.78 -0.10 1.08 -2.16 1.18 0.00 0.00 175.17 175.94 2kl4 s PRO 100 N -2.88 4.35 0.00 8.23 0.04 -1.26 -4.74 135.00 138.74 2kl4 s PRO 100 Ca 0.48 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2kl4 s PRO 100 Cb -0.11 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 30.86 2kl4 s PRO 100 CO 0.21 -0.46 0.46 1.33 0.04 0.00 0.00 177.00 178.58 2kl4 n VAL 101 N 4.85 0.00 -3.35 -0.36 0.24 -1.26 -4.88 118.33 113.57 2kl4 n VAL 101 Ca 0.11 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.12 2kl4 n VAL 101 Cb 0.47 -0.30 0.03 0.00 -1.47 0.00 0.00 33.84 32.57 2kl4 n VAL 101 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2kl4 n HIS 102 N -0.52 -2.52 0.28 6.34 8.25 -1.26 -4.83 115.22 120.96 2kl4 n HIS 102 Ca 0.00 1.05 0.11 0.00 -0.26 0.00 0.00 57.72 58.63 2kl4 n HIS 102 Cb 0.00 -2.09 0.76 0.00 1.12 0.00 0.00 29.99 29.79 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 2.30 0.00 0.50 4.41 -1.99 -1.99 -2.86 116.97 117.35 2kl4 h TYR 103 Ca -0.40 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.31 2kl4 h TYR 103 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 2kl4 h TYR 103 CO 0.02 0.01 -0.24 1.49 -0.00 0.00 0.00 178.16 179.44 2kl4 h GLU 104 N 0.00 -0.65 -0.29 4.88 4.81 -1.99 0.91 114.58 122.25 2kl4 h GLU 104 Ca -0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2kl4 h GLU 104 Cb 0.03 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2kl4 h GLU 104 CO 0.00 -0.36 0.16 1.25 -0.73 0.00 0.00 179.01 179.33 2kl4 h LEU 105 N -0.86 0.37 -0.83 1.64 7.12 -1.87 -1.49 115.31 119.39 2kl4 h LEU 105 Ca -0.07 -0.09 -0.10 0.00 0.13 0.00 0.00 57.88 57.76 2kl4 h LEU 105 Cb 0.59 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2kl4 h LEU 105 CO 0.11 0.35 -0.47 0.17 -0.13 0.00 0.00 178.44 178.47 2kl4 h LEU 106 N 0.36 0.00 0.47 2.25 8.10 -1.58 -2.29 115.31 122.63 2kl4 h LEU 106 Ca 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.08 2kl4 h LEU 106 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 2kl4 h LEU 106 CO -0.02 0.47 -0.30 0.50 -4.11 0.00 0.00 178.44 174.98 2kl4 h LYS 107 N 0.00 -0.71 -0.79 0.17 3.64 -0.35 -2.06 116.57 116.47 2kl4 h LYS 107 Ca -0.00 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2kl4 h LYS 107 Cb 0.99 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 2kl4 h LYS 107 CO 0.06 -0.48 0.52 1.96 -2.27 0.00 0.00 179.45 179.25 2kl4 h GLN 108 N -0.74 1.01 0.29 1.90 4.20 -0.86 -0.60 115.11 120.31 2kl4 h GLN 108 Ca -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2kl4 h GLN 108 Cb 0.61 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2kl4 h GLN 108 CO 0.05 0.67 -0.46 1.98 -0.67 0.00 0.00 178.83 180.40 2kl4 h MET 109 N 1.04 -0.77 -0.20 1.46 4.05 -1.40 -2.06 114.93 117.05 2kl4 h MET 109 Ca 0.30 0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.71 2kl4 h MET 109 Cb -0.08 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2kl4 h MET 109 CO -0.07 -0.51 -0.09 0.97 0.23 0.00 0.00 176.91 177.44 2kl4 h ILE 110 N -0.80 1.30 -0.52 1.77 -0.00 -0.57 -0.92 117.51 117.77 2kl4 h ILE 110 Ca -0.03 -1.14 0.07 0.00 -0.00 0.00 0.00 64.86 63.76 2kl4 h ILE 110 Cb 0.73 1.63 -0.06 0.00 -0.00 0.00 0.00 36.82 39.12 2kl4 h ILE 110 CO -0.15 0.35 0.17 -0.33 -0.00 0.00 0.00 178.15 178.19 2kl4 h GLU 111 N 0.12 0.33 -0.17 2.19 4.39 -1.22 -1.53 114.58 118.70 2kl4 h GLU 111 Ca 0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2kl4 h GLU 111 Cb 0.57 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2kl4 h GLU 111 CO 0.03 0.22 0.07 0.35 -1.16 0.00 0.00 179.01 178.52 2kl4 h PHE 112 N 0.34 0.25 0.00 4.33 3.57 -1.26 -1.09 116.94 123.09 2kl4 h PHE 112 Ca 0.25 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2kl4 h PHE 112 Cb 0.29 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2kl4 h PHE 112 CO -0.17 0.30 -0.00 -0.97 -2.23 0.00 0.00 178.31 175.23 2kl4 h ASN 113 N 0.13 0.00 0.06 0.41 -0.00 -0.29 0.17 115.58 116.06 2kl4 h ASN 113 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.35 2kl4 h ASN 113 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 2kl4 h ASN 113 CO -0.01 0.00 -0.03 0.40 -0.00 0.00 0.00 177.43 177.80 2kl4 h ILE 114 N 0.00 0.00 0.00 2.57 2.04 -1.03 -3.41 117.51 117.68 2kl4 h ILE 114 Ca -0.00 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2kl4 h ILE 114 Cb 0.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2kl4 h ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2kl4 n GLN 115 N -3.82 0.14 -0.07 2.37 10.64 -0.44 -1.61 117.38 124.59 2kl4 n GLN 115 Ca -0.01 0.34 -0.03 0.00 -1.83 0.00 0.00 57.00 55.47 2kl4 n GLN 115 Cb 0.03 -1.75 0.22 0.00 -0.86 0.00 0.00 30.24 27.88 2kl4 n GLN 115 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2kl4 h ASP 116 N 0.00 0.65 0.00 2.61 3.58 -0.93 -3.05 116.42 119.28 2kl4 h ASP 116 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2kl4 h ASP 116 Cb 0.37 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2kl4 h ASP 116 CO 0.00 0.72 0.00 0.29 -2.88 0.00 0.00 179.24 177.37 2kl4 n LYS 117 N -4.24 0.98 0.00 0.28 4.76 -0.63 -5.12 118.16 114.18 2kl4 n LYS 117 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2kl4 n LYS 117 Cb 0.27 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42