#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 n SER 2 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.83 113.62 116.78 2kl4 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kl4 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kl4 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 n HIS 3 N 0.00 0.00 -0.24 1.43 -0.00 -1.26 -4.58 115.22 110.57 2kl4 n HIS 3 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 2kl4 n HIS 3 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.16 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 0.40 0.00 -1.40 0.00 -1.98 -2.28 114.93 109.67 2kl4 h MET 4 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 59.70 59.67 2kl4 h MET 4 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 31.60 31.51 2kl4 h MET 4 CO 0.00 0.26 -0.02 0.93 0.00 0.00 0.00 176.91 178.08 2kl4 h GLU 5 N 0.41 0.00 0.02 1.72 5.08 -1.96 -0.62 114.58 119.23 2kl4 h GLU 5 Ca 0.39 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.48 2kl4 h GLU 5 Cb 0.58 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.85 2kl4 h GLU 5 CO -0.40 0.02 -1.05 0.28 -1.00 0.00 0.00 179.01 176.86 2kl4 h VAL 6 N 0.00 1.30 0.00 3.13 2.07 -1.80 -3.32 116.25 117.64 2kl4 h VAL 6 Ca -0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 2kl4 h VAL 6 Cb 0.03 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2kl4 h VAL 6 CO 0.00 0.71 -0.57 0.49 0.02 0.00 0.00 177.57 178.22 2kl4 n PHE 7 N -3.82 0.17 0.28 1.57 3.72 -0.61 -4.20 117.46 114.57 2kl4 n PHE 7 Ca -0.11 0.05 0.18 0.00 -0.05 0.00 0.00 57.45 57.52 2kl4 n PHE 7 Cb 0.89 -0.38 0.74 0.00 -0.94 0.00 0.00 39.48 39.79 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 2.83 1.01 0.00 4.37 0.00 -1.25 -2.15 119.26 124.07 2kl4 h ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kl4 h ALA 8 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kl4 h ALA 8 CO 0.00 0.02 -0.13 0.93 0.00 0.00 0.00 179.25 180.06 2kl4 h GLU 9 N 0.00 0.00 0.01 0.00 5.08 -1.78 -2.36 114.58 115.54 2kl4 h GLU 9 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2kl4 h GLU 9 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kl4 h GLU 9 CO 0.00 0.00 -0.26 -0.92 -1.00 0.00 0.00 179.01 176.83 2kl4 h TYR 10 N 0.00 0.05 -0.62 4.33 3.20 -1.68 -3.39 116.97 118.86 2kl4 h TYR 10 Ca 0.00 -0.04 0.13 0.00 3.14 0.00 0.00 58.73 61.96 2kl4 h TYR 10 Cb 0.83 -0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.98 2kl4 h TYR 10 CO 0.00 1.10 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.43 2kl4 h LEU 11 N -0.94 -0.51 -1.51 2.82 -0.00 -1.38 -1.58 115.31 112.22 2kl4 h LEU 11 Ca -0.06 0.18 0.23 0.00 -0.00 0.00 0.00 57.88 58.22 2kl4 h LEU 11 Cb 1.11 0.36 -0.07 0.00 -0.00 0.00 0.00 40.66 42.05 2kl4 h LEU 11 CO -0.01 -0.19 0.63 0.07 -0.00 0.00 0.00 178.44 178.94 2kl4 h LYS 12 N 0.02 0.37 -0.01 1.13 2.10 -1.62 -1.65 116.57 116.91 2kl4 h LYS 12 Ca 0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2kl4 h LYS 12 Cb 0.47 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2kl4 h LYS 12 CO -0.61 0.24 -0.05 0.41 -2.00 0.00 0.00 179.45 177.44 2kl4 n GLY 13 N -1.52 -0.23 3.65 0.07 0.00 -0.59 -4.82 105.19 101.74 2kl4 n GLY 13 Ca 0.21 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.11 4.16 -2.11 -0.61 1.01 -0.62 -4.89 121.20 116.02 2kl4 s ILE 14 Ca 0.36 1.36 0.29 0.00 0.00 0.00 0.00 60.65 62.66 2kl4 s ILE 14 Cb 0.21 -4.01 0.56 0.00 0.01 0.00 0.00 42.46 39.23 2kl4 s ILE 14 CO 0.38 -0.27 1.84 -0.67 0.00 0.00 0.00 174.94 176.22 2kl4 n ASP 15 N 7.14 0.90 -3.97 3.58 2.03 -1.26 -4.55 116.55 120.42 2kl4 n ASP 15 Ca 0.15 -1.11 -0.31 0.00 0.52 0.00 0.00 54.79 54.03 2kl4 n ASP 15 Cb 0.45 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kl4 n HIS 16 N -0.43 3.67 0.31 -0.67 8.25 -1.26 -4.96 115.22 120.13 2kl4 n HIS 16 Ca 0.18 -4.23 0.20 0.00 -0.26 0.00 0.00 57.72 53.61 2kl4 n HIS 16 Cb 0.29 -0.84 0.95 0.00 1.12 0.00 0.00 29.99 31.51 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 5.58 0.00 0.00 -0.41 0.13 -1.99 -1.59 132.00 133.71 2kl4 h PRO 17 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2kl4 h PRO 17 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kl4 h PRO 17 CO 0.78 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 2kl4 n ASP 18 N -3.14 0.00 0.00 1.44 8.00 -1.26 -3.47 116.55 118.13 2kl4 n ASP 18 Ca -0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2kl4 n ASP 18 Cb 0.19 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.40 0.00 0.29 1.24 -0.00 -0.73 -4.91 115.22 109.71 2kl4 n HIS 19 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.67 2kl4 n HIS 19 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 2kl4 n HIS 19 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kl4 h ARG 20 N 0.00 -0.70 -0.72 -0.41 2.43 -1.35 -3.29 114.38 110.33 2kl4 h ARG 20 Ca 0.00 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.39 2kl4 h ARG 20 Cb 0.27 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2kl4 h ARG 20 CO 0.00 -0.47 0.50 0.22 -1.51 0.00 0.00 179.97 178.71 2kl4 h ASP 21 N -0.73 0.22 -0.59 -3.80 1.82 -1.89 -1.67 116.42 109.78 2kl4 h ASP 21 Ca -0.07 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 56.68 2kl4 h ASP 21 Cb 0.56 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.50 2kl4 h ASP 21 CO 0.12 0.11 0.40 0.03 -1.61 0.00 0.00 179.24 178.29 2kl4 h ARG 22 N 0.23 0.39 -0.34 0.28 3.08 -1.93 0.22 114.38 116.31 2kl4 h ARG 22 Ca 0.35 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 2kl4 h ARG 22 Cb 1.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2kl4 h ARG 22 CO -0.08 0.26 -0.29 1.15 -1.07 0.00 0.00 179.97 179.94 2kl4 h THR 23 N 0.40 1.29 -0.25 2.04 2.02 -1.47 -3.22 112.91 113.72 2kl4 h THR 23 Ca 0.27 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 2kl4 h THR 23 Cb 0.54 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2kl4 h THR 23 CO -0.07 0.48 -0.12 -0.33 0.37 0.00 0.00 175.52 175.85 2kl4 h GLU 24 N 0.58 0.41 -0.21 6.66 5.08 -0.78 -2.20 114.58 124.13 2kl4 h GLU 24 Ca 0.06 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kl4 h GLU 24 Cb 0.87 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2kl4 h GLU 24 CO 0.08 0.53 0.08 0.93 -1.00 0.00 0.00 179.01 179.63 2kl4 h GLU 25 N 0.39 0.18 -0.17 2.33 5.08 -0.75 0.34 114.58 121.98 2kl4 h GLU 25 Ca 0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2kl4 h GLU 25 Cb 0.44 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kl4 h GLU 25 CO 0.02 0.12 0.08 0.82 -1.00 0.00 0.00 179.01 179.05 2kl4 h ILE 26 N 0.19 1.14 0.07 3.13 2.04 -1.58 -1.20 117.51 121.30 2kl4 h ILE 26 Ca 0.09 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2kl4 h ILE 26 Cb 0.04 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2kl4 h ILE 26 CO -0.08 0.13 -0.22 -0.07 0.00 0.00 0.00 178.15 177.91 2kl4 h LEU 27 N 0.14 -0.67 -1.32 1.44 3.38 -0.74 -2.33 115.31 115.22 2kl4 h LEU 27 Ca 0.06 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2kl4 h LEU 27 Cb 0.14 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kl4 h LEU 27 CO -0.01 -0.24 -0.31 0.28 0.09 0.00 0.00 178.44 178.25 2kl4 h SER 28 N -0.33 0.05 -0.54 -0.43 0.02 -1.02 -2.40 113.55 108.89 2kl4 h SER 28 Ca -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kl4 h SER 28 Cb 0.33 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2kl4 h SER 28 CO -0.11 0.36 0.32 -0.25 -1.14 0.00 0.00 176.83 176.01 2kl4 h TRP 29 N 0.05 0.72 -0.03 3.45 7.01 -1.04 -2.54 115.95 123.56 2kl4 h TRP 29 Ca 0.00 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 2kl4 h TRP 29 Cb 0.57 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 27.40 2kl4 h TRP 29 CO 0.00 0.49 -0.39 -0.39 -2.79 0.00 0.00 178.44 175.36 2kl4 h VAL 30 N 0.76 1.45 0.00 2.65 -1.51 -0.90 -1.14 116.25 117.56 2kl4 h VAL 30 Ca 0.20 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.78 2kl4 h VAL 30 Cb -0.02 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2kl4 h VAL 30 CO -0.04 0.54 0.11 0.00 -1.23 0.00 0.00 177.57 176.96 2kl4 n ALA 31 N -2.54 0.86 -0.01 5.19 0.00 -1.04 0.65 120.51 123.62 2kl4 n ALA 31 Ca -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kl4 n ALA 31 Cb 0.56 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 2kl4 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl4 h ALA 32 N 1.67 0.00 -0.12 0.00 0.00 -1.23 -3.39 119.26 116.19 2kl4 h ALA 32 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2kl4 h ALA 32 Cb 0.23 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kl4 h ALA 32 CO 0.00 0.04 -0.67 1.15 0.00 0.00 0.00 179.25 179.77 2kl4 h THR 33 N -0.19 1.32 -2.57 0.00 2.02 0.25 -3.32 112.91 110.43 2kl4 h THR 33 Ca 0.00 -1.92 -0.65 0.00 0.77 0.00 0.00 66.41 64.60 2kl4 h THR 33 Cb 0.04 2.10 -0.39 0.00 -1.74 0.00 0.00 68.15 68.17 2kl4 h THR 33 CO 0.00 0.60 -0.27 0.49 0.37 0.00 0.00 175.52 176.71 2kl4 n PHE 34 N -4.07 3.42 0.75 3.16 3.72 0.21 -4.92 117.46 119.74 2kl4 n PHE 34 Ca -0.08 -3.88 0.10 0.00 -0.05 0.00 0.00 57.45 53.55 2kl4 n PHE 34 Cb 0.69 -0.77 0.46 0.00 -0.94 0.00 0.00 39.48 38.92 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 1.23 0.03 -0.26 -1.08 -0.04 -1.20 -3.48 135.00 130.20 2kl4 n PRO 35 Ca 0.27 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2kl4 n PRO 35 Cb 0.38 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.00 -3.92 3.54 -1.24 -1.91 -3.44 115.58 109.62 2kl4 h ASN 36 Ca 0.00 -0.12 -0.47 0.00 0.71 0.00 0.00 56.30 56.43 2kl4 h ASN 36 Cb 0.35 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2kl4 h ASN 36 CO 0.00 0.85 0.36 -0.76 -1.29 0.00 0.00 177.43 176.59 2kl4 s LEU 37 N -9.72 4.27 0.10 0.34 2.01 -1.23 -4.17 118.68 110.29 2kl4 s LEU 37 Ca -0.12 1.86 0.06 0.00 0.01 0.00 0.00 54.13 55.95 2kl4 s LEU 37 Cb 0.16 -4.09 -0.04 0.00 0.01 0.00 0.00 46.19 42.23 2kl4 s LEU 37 CO 0.82 -0.17 -0.05 -1.61 1.01 0.00 0.00 176.35 176.35 2kl4 s GLU 38 N -2.24 2.32 0.30 1.70 0.41 0.11 -4.83 118.70 116.47 2kl4 s GLU 38 Ca 0.53 -0.95 -0.29 0.00 -0.41 0.00 0.00 54.97 53.85 2kl4 s GLU 38 Cb -0.18 -2.41 -0.10 0.00 -1.78 0.00 0.00 34.13 29.66 2kl4 s GLU 38 CO 0.24 0.52 1.20 -1.25 -0.49 0.00 0.00 175.26 175.48 2kl4 s PRO 39 N -2.30 4.50 -0.28 0.39 0.04 -1.26 -1.73 135.00 134.35 2kl4 s PRO 39 Ca 0.24 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2kl4 s PRO 39 Cb -0.11 -3.13 0.17 0.00 0.04 0.00 0.00 34.50 31.46 2kl4 s PRO 39 CO 0.16 0.01 0.45 -1.14 0.04 0.00 0.00 177.00 176.52 2kl4 s GLN 40 N -1.56 0.44 -0.49 4.56 0.74 -1.10 -4.90 119.66 117.36 2kl4 s GLN 40 Ca 0.47 0.34 -0.28 0.00 0.05 0.00 0.00 55.36 55.95 2kl4 s GLN 40 Cb -0.36 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.57 2kl4 s GLN 40 CO 0.47 -0.94 1.73 -1.64 -0.55 0.00 0.00 175.29 174.36 2kl4 s MET 41 N 2.62 3.06 -0.02 1.67 -1.94 -1.26 -3.60 119.30 119.82 2kl4 s MET 41 Ca 0.11 0.89 0.02 0.00 -1.71 0.00 0.00 55.69 55.01 2kl4 s MET 41 Cb -0.13 -4.25 -0.03 0.00 2.01 0.00 0.00 34.83 32.43 2kl4 s MET 41 CO -0.26 -2.21 -0.06 0.21 -0.01 0.00 0.00 175.02 172.69 2kl4 s LYS 42 N 6.15 2.64 -1.43 2.03 2.47 -1.11 -4.65 119.74 125.84 2kl4 s LYS 42 Ca 0.69 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 54.44 2kl4 s LYS 42 Cb -0.16 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.66 2kl4 s LYS 42 CO 0.27 0.62 0.00 0.91 0.16 0.00 0.00 175.35 177.31 2kl4 n TRP 43 N 1.74 -0.24 -2.51 4.03 7.02 -1.26 -0.43 117.44 125.79 2kl4 n TRP 43 Ca -0.16 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.13 2kl4 n TRP 43 Cb 0.53 -2.67 0.00 0.00 -2.42 0.00 0.00 31.31 26.75 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 -0.64 -5.43 -4.18 -0.99 2.85 -1.26 -5.04 115.26 100.57 2kl4 n ASN 44 Ca -0.13 -0.08 -0.21 0.00 -0.11 0.00 0.00 54.58 54.05 2kl4 n ASN 44 Cb 0.48 -4.42 -0.13 0.00 1.24 0.00 0.00 39.78 36.95 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kl4 s THR 45 N -2.97 1.25 0.06 -0.44 -4.23 0.43 -4.99 115.64 104.75 2kl4 s THR 45 Ca 0.07 -1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 59.12 2kl4 s THR 45 Cb -0.03 -1.14 -0.06 0.00 1.34 0.00 0.00 72.50 72.61 2kl4 s THR 45 CO 0.09 -0.03 1.23 -2.16 -0.54 0.00 0.00 174.62 173.21 2kl4 s PRO 46 N -1.36 4.41 0.21 3.99 0.04 -1.23 -2.74 135.00 138.31 2kl4 s PRO 46 Ca 0.02 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 2kl4 s PRO 46 Cb -0.09 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.14 2kl4 s PRO 46 CO 0.02 -0.30 0.55 0.00 0.04 0.00 0.00 177.00 177.31 2kl4 s MET 47 N 1.13 1.44 0.26 4.56 0.23 -1.24 -1.57 119.30 124.11 2kl4 s MET 47 Ca 0.60 -0.88 0.06 0.00 -1.03 0.00 0.00 55.69 54.44 2kl4 s MET 47 Cb -0.30 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.47 2kl4 s MET 47 CO 0.29 -0.62 -0.07 -0.06 -2.03 0.00 0.00 175.02 172.53 2kl4 s PHE 48 N -3.88 1.85 -0.07 3.16 0.08 -0.68 -2.71 117.98 115.74 2kl4 s PHE 48 Ca 0.10 -0.70 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 2kl4 s PHE 48 Cb -0.02 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 2kl4 s PHE 48 CO -0.01 0.26 0.02 -1.12 -0.10 0.00 0.00 175.22 174.26 2kl4 s SER 49 N -3.40 1.50 -1.00 1.36 0.01 -0.71 -4.00 113.70 107.47 2kl4 s SER 49 Ca 0.28 -0.06 -0.23 0.00 1.31 0.00 0.00 55.95 57.25 2kl4 s SER 49 Cb 0.03 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2kl4 s SER 49 CO 0.10 -0.21 1.59 0.21 0.41 0.00 0.00 173.24 175.35 2kl4 s ASN 50 N 2.02 6.13 -1.34 2.44 2.47 -1.26 -0.71 114.94 124.68 2kl4 s ASN 50 Ca 0.05 -1.26 -0.02 0.00 0.42 0.00 0.00 52.86 52.04 2kl4 s ASN 50 Cb -0.12 -2.57 -0.00 0.00 -1.45 0.00 0.00 41.25 37.11 2kl4 s ASN 50 CO -0.05 -1.85 0.56 0.00 -3.72 0.00 0.00 177.10 172.04 2kl4 n GLN 51 N 8.87 -3.61 -0.02 0.43 6.02 -1.26 -3.39 117.38 124.41 2kl4 n GLN 51 Ca 0.35 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 2kl4 n GLN 51 Cb 0.50 -4.71 0.00 0.00 1.02 0.00 0.00 30.24 27.04 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 -1.80 0.49 0.00 1.08 0.00 -1.25 -5.09 105.19 98.62 2kl4 n GLY 52 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 0.00 -0.58 2.61 -1.04 -1.22 -4.98 114.28 107.08 2kl4 n THR 53 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2kl4 n THR 53 Cb 0.00 -1.91 0.02 0.00 -1.82 0.00 0.00 70.33 66.62 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 -1.13 0.00 0.45 -1.42 7.35 -1.26 -4.23 117.46 117.22 2kl4 n PHE 54 Ca 0.00 -0.39 0.02 0.00 -0.76 0.00 0.00 57.45 56.32 2kl4 n PHE 54 Cb 0.00 -0.05 0.09 0.00 0.35 0.00 0.00 39.48 39.87 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 -0.45 0.00 -3.64 -2.13 5.41 -1.26 -4.49 119.36 112.80 2kl4 n ILE 55 Ca 0.02 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.69 2kl4 n ILE 55 Cb 0.41 -0.60 -0.07 0.00 -0.71 0.00 0.00 39.64 38.67 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 0.05 1.39 2.07 -1.22 -4.18 121.20 117.32 2kl4 s ILE 56 Ca 0.05 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.02 2kl4 s ILE 56 Cb 0.02 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.69 2kl4 s ILE 56 CO 0.04 0.00 0.72 -0.83 -1.91 0.00 0.00 174.94 172.95 2kl4 s GLY 57 N 1.30 -0.55 0.25 1.50 0.00 -1.17 -1.68 107.32 106.98 2kl4 s GLY 57 Ca -0.07 0.89 -0.17 0.00 0.00 0.00 0.00 44.72 45.37 2kl4 s GLY 57 CO -0.15 0.42 0.58 -0.11 0.00 0.00 0.00 173.10 173.84 2kl4 s PHE 58 N -2.92 0.03 0.06 1.90 -0.12 -0.61 -3.60 117.98 112.72 2kl4 s PHE 58 Ca -0.00 -0.42 -0.26 0.00 -0.05 0.00 0.00 56.93 56.19 2kl4 s PHE 58 Cb -0.01 0.43 0.08 0.00 -0.63 0.00 0.00 43.02 42.90 2kl4 s PHE 58 CO -0.07 -1.06 0.73 -1.12 -0.05 0.00 0.00 175.22 173.65 2kl4 s SER 59 N -2.94 -0.51 -0.37 1.98 0.01 -1.22 -3.54 113.70 107.12 2kl4 s SER 59 Ca 0.15 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.24 2kl4 s SER 59 Cb -0.03 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.72 2kl4 s SER 59 CO 0.05 -0.77 1.25 0.42 0.41 0.00 0.00 173.24 174.60 2kl4 s THR 60 N -3.04 4.16 0.57 1.44 -4.23 -1.26 -3.42 115.64 109.86 2kl4 s THR 60 Ca 0.00 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 2kl4 s THR 60 Cb -0.01 -4.31 0.03 0.00 1.34 0.00 0.00 72.50 69.55 2kl4 s THR 60 CO -0.08 -0.66 0.83 -0.55 -0.54 0.00 0.00 174.62 173.62 2kl4 s SER 61 N 2.78 5.33 0.54 3.99 0.15 0.16 -4.98 113.70 121.68 2kl4 s SER 61 Ca 0.54 0.27 0.35 0.00 0.70 0.00 0.00 55.95 57.80 2kl4 s SER 61 Cb -0.13 -1.19 1.52 0.00 -1.71 0.00 0.00 66.02 64.51 2kl4 s SER 61 CO 0.26 -1.15 1.83 0.11 1.20 0.00 0.00 173.24 175.50 2kl4 h LYS 62 N -0.06 0.00 0.00 5.44 6.56 -2.00 -3.11 116.57 123.40 2kl4 h LYS 62 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2kl4 h LYS 62 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2kl4 h LYS 62 CO 0.56 0.00 -0.02 1.58 -2.06 0.00 0.00 179.45 179.51 2kl4 n HIS 63 N -4.18 0.00 -3.49 -1.35 -0.00 -1.26 -5.09 115.22 99.84 2kl4 n HIS 63 Ca 0.22 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.28 2kl4 n HIS 63 Cb 1.13 0.04 -0.03 0.00 -0.12 0.00 0.00 29.99 31.01 2kl4 n HIS 63 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kl4 s HIS 64 N 0.00 -0.45 0.62 1.57 -3.43 -1.18 -2.31 115.29 110.11 2kl4 s HIS 64 Ca 0.00 0.27 -0.07 0.00 -0.80 0.00 0.00 55.06 54.46 2kl4 s HIS 64 Cb 0.00 0.46 0.02 0.00 -1.43 0.00 0.00 32.58 31.62 2kl4 s HIS 64 CO 0.00 -0.78 0.94 -1.17 -2.00 0.00 0.00 174.74 171.73 2kl4 s LEU 65 N -2.62 3.14 -0.04 5.38 0.20 -0.63 -0.66 118.68 123.45 2kl4 s LEU 65 Ca 0.00 0.73 -0.01 0.00 0.69 0.00 0.00 54.13 55.54 2kl4 s LEU 65 Cb -0.00 -3.53 0.03 0.00 -0.43 0.00 0.00 46.19 42.26 2kl4 s LEU 65 CO -0.11 -1.17 0.08 -0.94 -0.29 0.00 0.00 176.35 173.93 2kl4 s SER 66 N -4.34 -0.02 -0.08 3.68 1.04 -1.22 -2.04 113.70 110.72 2kl4 s SER 66 Ca 0.55 0.16 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 2kl4 s SER 66 Cb -0.11 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2kl4 s SER 66 CO 0.46 -0.12 0.22 -0.69 0.98 0.00 0.00 173.24 174.09 2kl4 s VAL 67 N 0.95 0.00 0.13 5.02 1.01 0.03 -3.38 120.40 124.16 2kl4 s VAL 67 Ca -0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 2kl4 s VAL 67 Cb -0.10 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.02 2kl4 s VAL 67 CO -0.04 -0.02 0.80 -0.55 0.00 0.00 0.00 175.10 175.29 2kl4 s SER 68 N 0.03 -0.35 -0.10 3.32 0.15 -1.24 -1.93 113.70 113.59 2kl4 s SER 68 Ca -0.01 -0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 2kl4 s SER 68 Cb -0.02 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.77 2kl4 s SER 68 CO 0.00 -0.92 0.23 1.55 1.20 0.00 0.00 173.24 175.30 2kl4 h PRO 69 N 2.00 -0.05 0.00 5.44 0.13 -1.84 -3.09 132.00 134.59 2kl4 h PRO 69 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kl4 h PRO 69 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kl4 h PRO 69 CO 0.30 0.15 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 2kl4 n GLU 70 N -4.79 0.00 0.00 0.86 1.02 -1.26 -3.41 120.64 113.06 2kl4 n GLU 70 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kl4 n GLU 70 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.42 0.00 -0.05 3.49 0.28 -1.26 -4.86 120.64 117.82 2kl4 n GLU 71 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.17 2kl4 n GLU 71 Cb 0.00 -0.31 0.60 0.00 1.43 0.00 0.00 31.44 33.16 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 0.79 -1.05 3.84 2.10 -1.98 -0.44 117.51 120.78 2kl4 h ILE 72 Ca 0.00 -0.07 0.30 0.00 1.08 0.00 0.00 64.86 66.18 2kl4 h ILE 72 Cb 0.09 0.59 -0.04 0.00 -1.09 0.00 0.00 36.82 36.36 2kl4 h ILE 72 CO 0.00 0.03 0.85 1.23 -1.08 0.00 0.00 178.15 179.18 2kl4 h GLY 73 N 0.19 0.00 -0.29 8.18 0.00 -1.89 -0.15 103.07 109.10 2kl4 h GLY 73 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2kl4 h GLY 73 CO -0.05 0.00 -0.19 1.39 0.00 0.00 0.00 176.54 177.70 2kl4 n ILE 74 N -3.95 0.00 0.00 2.60 2.08 -0.18 -2.93 119.36 116.98 2kl4 n ILE 74 Ca 0.22 -0.41 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2kl4 n ILE 74 Cb 1.19 1.08 0.00 0.00 -0.75 0.00 0.00 39.64 41.16 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 -0.44 0.00 -0.05 4.38 7.64 -0.09 -4.18 113.62 120.87 2kl4 n SER 75 Ca 0.03 0.19 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 2kl4 n SER 75 Cb 0.15 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 2kl4 n SER 75 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2kl4 h GLN 76 N 0.00 0.10 0.00 1.43 3.07 -1.79 -3.37 115.11 114.55 2kl4 h GLN 76 Ca 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.57 2kl4 h GLN 76 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.62 2kl4 h GLN 76 CO 0.00 1.08 -0.01 0.74 0.09 0.00 0.00 178.83 180.74 2kl4 h PHE 77 N -0.69 0.00 -0.60 0.06 0.04 -1.70 -2.43 116.94 111.62 2kl4 h PHE 77 Ca -0.27 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.66 2kl4 h PHE 77 Cb 1.45 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.57 2kl4 h PHE 77 CO 0.14 0.01 0.43 0.00 -0.60 0.00 0.00 178.31 178.28 2kl4 h ALA 78 N 1.99 2.48 -0.17 2.45 0.00 -1.69 -1.46 119.26 122.87 2kl4 h ALA 78 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kl4 h ALA 78 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kl4 h ALA 78 CO 0.00 -0.65 0.08 -0.44 0.00 0.00 0.00 179.25 178.25 2kl4 h ASP 79 N 0.06 0.13 0.70 0.00 5.19 -1.67 0.84 116.42 121.67 2kl4 h ASP 79 Ca 0.29 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.56 2kl4 h ASP 79 Cb 1.06 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 2kl4 h ASP 79 CO -0.02 0.10 -0.69 0.00 -3.12 0.00 0.00 179.24 175.51 2kl4 h ALA 80 N 1.08 0.86 -0.36 3.45 0.00 -1.47 -2.00 119.26 120.82 2kl4 h ALA 80 Ca 0.07 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2kl4 h ALA 80 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2kl4 h ALA 80 CO -0.04 0.86 0.13 0.82 0.00 0.00 0.00 179.25 181.02 2kl4 h ILE 81 N 0.00 1.20 -0.31 0.00 2.04 -1.04 -2.51 117.51 116.89 2kl4 h ILE 81 Ca -0.01 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2kl4 h ILE 81 Cb 1.22 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2kl4 h ILE 81 CO 0.09 0.22 0.15 0.00 0.00 0.00 0.00 178.15 178.61 2kl4 h ALA 82 N 0.97 0.40 -0.84 1.87 0.00 -0.68 -2.35 119.26 118.62 2kl4 h ALA 82 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2kl4 h ALA 82 Cb 0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2kl4 h ALA 82 CO -0.01 -0.05 0.47 1.96 0.00 0.00 0.00 179.25 181.62 2kl4 h GLN 83 N 0.37 0.71 -0.04 0.00 4.20 -1.32 -1.85 115.11 117.19 2kl4 h GLN 83 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kl4 h GLN 83 Cb 0.10 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2kl4 h GLN 83 CO -0.01 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 2kl4 n ALA 84 N -2.39 2.52 -2.27 3.87 0.00 -0.95 -4.89 120.51 116.41 2kl4 n ALA 84 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 2kl4 n ALA 84 Cb 0.34 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2kl4 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl4 n GLY 85 N 0.64 0.63 3.53 0.00 0.00 -0.69 -5.07 105.19 104.23 2kl4 n GLY 85 Ca 0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.51 2.24 -0.22 1.61 2.02 -0.92 -5.05 117.35 114.52 2kl4 s TYR 86 Ca 0.01 -0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2kl4 s TYR 86 Cb -0.00 -1.50 0.07 0.00 -0.40 0.00 0.00 41.96 40.13 2kl4 s TYR 86 CO 0.01 0.27 0.07 -1.12 -1.57 0.00 0.00 175.55 173.21 2kl4 s SER 87 N -3.59 3.09 1.12 2.29 0.01 -1.26 -4.00 113.70 111.36 2kl4 s SER 87 Ca 0.35 -0.99 -0.13 0.00 1.31 0.00 0.00 55.95 56.48 2kl4 s SER 87 Cb 0.08 -0.54 0.25 0.00 0.21 0.00 0.00 66.02 66.03 2kl4 s SER 87 CO 0.16 -0.35 1.05 0.00 0.41 0.00 0.00 173.24 174.51 2kl4 s ALA 88 N 1.91 0.06 0.44 1.44 0.00 -1.26 -4.06 121.76 120.29 2kl4 s ALA 88 Ca 0.03 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.70 2kl4 s ALA 88 Cb -0.17 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2kl4 s ALA 88 CO -0.15 -3.50 0.13 0.25 0.00 0.00 0.00 175.76 172.48 2kl4 n THR 89 N -4.67 0.00 -1.62 0.00 -2.24 0.86 -4.96 114.28 101.66 2kl4 n THR 89 Ca 0.04 -2.49 -0.40 0.00 -2.27 0.00 0.00 64.05 58.93 2kl4 n THR 89 Cb 0.56 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2kl4 n THR 89 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kl4 n LYS 90 N -1.02 3.70 0.00 -0.78 0.00 -1.26 -3.06 118.16 115.74 2kl4 n LYS 90 Ca -0.09 -2.65 0.00 0.00 0.00 0.00 0.00 58.31 55.58 2kl4 n LYS 90 Cb 0.65 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.79 2kl4 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kl4 n GLY 91 N 3.26 -1.47 3.75 3.14 0.00 -1.26 -5.16 105.19 107.45 2kl4 n GLY 91 Ca 0.67 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 47.10 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 0.00 0.16 0.24 0.99 2.34 -1.17 -4.77 118.68 116.46 2kl4 s LEU 92 Ca 0.00 -1.13 0.08 0.00 0.06 0.00 0.00 54.13 53.14 2kl4 s LEU 92 Cb 0.00 2.55 -0.04 0.00 -0.56 0.00 0.00 46.19 48.14 2kl4 s LEU 92 CO 0.00 -1.56 0.04 0.72 -1.06 0.00 0.00 176.35 174.49 2kl4 s PHE 93 N -2.71 2.83 -0.06 3.48 -0.12 -0.81 -0.10 117.98 120.49 2kl4 s PHE 93 Ca 0.18 -0.17 -0.05 0.00 -0.05 0.00 0.00 56.93 56.84 2kl4 s PHE 93 Cb -0.04 -1.29 0.02 0.00 -0.63 0.00 0.00 43.02 41.08 2kl4 s PHE 93 CO 0.12 0.57 0.15 -0.98 -0.05 0.00 0.00 175.22 175.04 2kl4 s ARG 94 N -3.49 0.15 0.01 1.99 1.04 -1.26 -0.79 118.95 116.60 2kl4 s ARG 94 Ca 0.31 0.27 0.07 0.00 -1.04 0.00 0.00 55.73 55.33 2kl4 s ARG 94 Cb -0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 34.95 32.81 2kl4 s ARG 94 CO 0.21 -0.07 -0.21 0.42 -0.04 0.00 0.00 175.30 175.61 2kl4 s ILE 95 N 0.44 2.56 0.63 4.99 -1.09 -0.87 -4.66 121.20 123.20 2kl4 s ILE 95 Ca -0.03 -1.11 -0.16 0.00 -2.23 0.00 0.00 60.65 57.13 2kl4 s ILE 95 Cb -0.04 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 2kl4 s ILE 95 CO -0.02 0.45 1.09 -2.16 -1.23 0.00 0.00 174.94 173.07 2kl4 s PRO 96 N -1.07 3.03 0.61 2.79 0.04 -1.26 -1.61 135.00 137.53 2kl4 s PRO 96 Ca 0.12 1.33 0.37 0.00 0.04 0.00 0.00 61.00 62.87 2kl4 s PRO 96 Cb -0.10 -1.98 1.98 0.00 0.04 0.00 0.00 34.50 34.43 2kl4 s PRO 96 CO 0.02 -1.06 2.24 -1.49 0.04 0.00 0.00 177.00 176.75 2kl4 h TRP 97 N 0.25 0.00 0.00 0.56 -0.00 -1.81 -3.11 115.95 111.84 2kl4 h TRP 97 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 2kl4 h TRP 97 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 2kl4 h TRP 97 CO 0.56 0.02 0.00 -1.71 -0.00 0.00 0.00 178.44 177.31 2kl4 n ASN 98 N -3.33 0.00 -4.90 -3.49 5.15 -1.26 -4.94 115.26 102.49 2kl4 n ASN 98 Ca -0.02 0.86 -0.30 0.00 -0.60 0.00 0.00 54.58 54.52 2kl4 n ASN 98 Cb 0.14 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 38.88 2kl4 n ASN 98 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2kl4 s ASP 99 N -2.20 6.49 1.08 1.20 1.47 -1.18 -5.07 116.67 118.47 2kl4 s ASP 99 Ca 0.00 0.78 -0.16 0.00 1.18 0.00 0.00 52.55 54.35 2kl4 s ASP 99 Cb 0.00 -2.17 0.23 0.00 -0.34 0.00 0.00 42.92 40.64 2kl4 s ASP 99 CO 0.00 -0.17 1.11 -0.81 0.68 0.00 0.00 175.17 175.98 2kl4 n PRO 100 N -0.72 -1.81 -4.52 2.11 -0.04 -1.26 -4.52 135.00 124.24 2kl4 n PRO 100 Ca -0.01 -1.73 -0.31 0.00 -0.04 0.00 0.00 63.50 61.41 2kl4 n PRO 100 Cb 0.53 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.57 2kl4 n PRO 100 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kl4 s VAL 101 N -3.29 3.00 -0.28 0.52 0.11 -1.26 -4.93 120.40 114.28 2kl4 s VAL 101 Ca 0.66 -1.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.39 2kl4 s VAL 101 Cb -0.03 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 2kl4 s VAL 101 CO 0.48 0.28 0.32 -1.00 -3.33 0.00 0.00 175.10 171.85 2kl4 s HIS 102 N -1.01 3.24 -0.43 1.54 3.76 -1.26 -4.96 115.29 116.17 2kl4 s HIS 102 Ca 0.16 0.29 0.23 0.00 -0.15 0.00 0.00 55.06 55.60 2kl4 s HIS 102 Cb -0.11 -2.53 0.22 0.00 1.11 0.00 0.00 32.58 31.27 2kl4 s HIS 102 CO 0.07 -0.23 1.28 1.88 -0.85 0.00 0.00 174.74 176.89 2kl4 h TYR 103 N 8.25 0.00 0.75 1.40 -1.99 -1.99 -3.33 116.97 120.06 2kl4 h TYR 103 Ca -0.32 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.37 2kl4 h TYR 103 Cb 1.17 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.89 2kl4 h TYR 103 CO 0.75 0.00 -0.45 1.49 -0.00 0.00 0.00 178.16 179.95 2kl4 h GLU 104 N 0.00 -1.08 -0.13 4.88 4.81 -1.99 -0.20 114.58 120.87 2kl4 h GLU 104 Ca 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kl4 h GLU 104 Cb 0.90 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2kl4 h GLU 104 CO 0.00 -0.72 0.07 -0.07 -0.73 0.00 0.00 179.01 177.56 2kl4 h LEU 105 N -1.12 0.11 -0.53 1.64 -0.00 -2.00 -1.82 115.31 111.59 2kl4 h LEU 105 Ca -0.10 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.86 2kl4 h LEU 105 Cb 0.90 -0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 41.44 2kl4 h LEU 105 CO 0.11 0.09 -0.44 -0.07 -0.00 0.00 0.00 178.44 178.13 2kl4 h LEU 106 N 0.15 -1.49 -0.47 1.67 3.38 -1.66 -0.37 115.31 116.53 2kl4 h LEU 106 Ca 0.05 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2kl4 h LEU 106 Cb -0.00 0.67 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2kl4 h LEU 106 CO -0.03 -0.35 0.28 0.50 0.09 0.00 0.00 178.44 178.94 2kl4 h LYS 107 N -0.26 0.64 0.27 1.13 3.64 -0.42 -2.04 116.57 119.54 2kl4 h LYS 107 Ca 0.16 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2kl4 h LYS 107 Cb 0.57 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2kl4 h LYS 107 CO -0.65 0.48 -0.20 1.96 -2.27 0.00 0.00 179.45 178.77 2kl4 h GLN 108 N 0.63 -0.45 0.00 1.90 4.20 -0.57 -0.26 115.11 120.55 2kl4 h GLN 108 Ca 0.17 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2kl4 h GLN 108 Cb 0.00 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2kl4 h GLN 108 CO -0.03 -0.30 0.00 0.00 -0.67 0.00 0.00 178.83 177.83 2kl4 n MET 109 N -5.32 0.78 -0.01 1.46 0.00 -0.22 -1.62 117.12 112.18 2kl4 n MET 109 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.57 2kl4 n MET 109 Cb 0.23 -1.16 -0.01 0.00 0.00 0.00 0.00 33.22 32.28 2kl4 n MET 109 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2kl4 n ILE 110 N -0.66 0.46 -0.33 3.17 0.00 -0.79 -4.51 119.36 116.70 2kl4 n ILE 110 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 62.75 62.80 2kl4 n ILE 110 Cb 0.03 -1.59 0.09 0.00 0.00 0.00 0.00 39.64 38.16 2kl4 n ILE 110 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2kl4 h GLU 111 N -0.16 1.20 -0.13 9.51 5.08 -1.05 -1.16 114.58 127.88 2kl4 h GLU 111 Ca -0.09 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2kl4 h GLU 111 Cb 0.90 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2kl4 h GLU 111 CO -0.05 0.84 0.07 0.35 -1.00 0.00 0.00 179.01 179.22 2kl4 h PHE 112 N 1.22 0.18 -0.12 4.33 3.57 -1.49 -0.78 116.94 123.85 2kl4 h PHE 112 Ca 0.32 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 2kl4 h PHE 112 Cb -0.05 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2kl4 h PHE 112 CO 0.00 0.20 -0.26 -0.91 -2.23 0.00 0.00 178.31 175.12 2kl4 h ASN 113 N 0.11 0.22 0.56 0.41 -0.26 -1.60 0.62 115.58 115.63 2kl4 h ASN 113 Ca 0.05 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 2kl4 h ASN 113 Cb 0.08 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2kl4 h ASN 113 CO -0.01 0.48 -0.30 0.40 -1.06 0.00 0.00 177.43 176.94 2kl4 h ILE 114 N 0.20 0.00 0.00 2.81 2.04 -1.14 -3.04 117.51 118.39 2kl4 h ILE 114 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2kl4 h ILE 114 Cb 0.56 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2kl4 h ILE 114 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.19 2kl4 n GLN 115 N -4.27 0.19 -0.06 2.37 10.64 -0.31 -1.56 117.38 124.38 2kl4 n GLN 115 Ca -0.10 0.15 -0.14 0.00 -1.83 0.00 0.00 57.00 55.09 2kl4 n GLN 115 Cb 0.32 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.08 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 -0.00 -0.20 2.61 3.58 -0.96 -3.35 116.42 118.09 2kl4 h ASP 116 Ca 0.00 -0.91 -0.04 0.00 0.42 0.00 0.00 57.03 56.49 2kl4 h ASP 116 Cb 0.14 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2kl4 h ASP 116 CO 0.00 0.92 0.06 0.29 -2.88 0.00 0.00 179.24 177.63 2kl4 n LYS 117 N -4.65 1.92 0.00 0.28 4.76 -0.60 -5.11 118.16 114.76 2kl4 n LYS 117 Ca -0.10 -0.91 0.00 0.00 -2.87 0.00 0.00 58.31 54.44 2kl4 n LYS 117 Cb 0.44 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42