#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 0.01 0.00 1.61 7.64 -1.26 -4.93 113.62 116.69 2kl4 n SER 2 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2kl4 n SER 2 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.51 0.00 -0.29 1.43 -0.00 -1.26 -4.43 115.22 109.16 2kl4 n HIS 3 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.87 2kl4 n HIS 3 Cb 0.24 0.00 0.24 0.00 -0.00 0.00 0.00 29.99 30.47 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 0.12 -0.10 -1.40 0.00 -1.96 -1.91 114.93 109.67 2kl4 h MET 4 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 59.70 59.63 2kl4 h MET 4 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.56 2kl4 h MET 4 CO 0.00 0.08 -0.24 0.93 0.00 0.00 0.00 176.91 177.67 2kl4 h GLU 5 N 0.12 0.18 -0.47 1.72 4.39 -2.00 -0.86 114.58 117.66 2kl4 h GLU 5 Ca 0.51 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.18 2kl4 h GLU 5 Cb 0.98 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 2kl4 h GLU 5 CO -0.72 0.42 0.26 0.28 -1.16 0.00 0.00 179.01 178.08 2kl4 h VAL 6 N 0.16 1.01 -0.00 3.13 2.07 -1.72 -3.03 116.25 117.87 2kl4 h VAL 6 Ca 0.03 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2kl4 h VAL 6 Cb 0.53 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kl4 h VAL 6 CO 0.04 0.09 -0.54 0.49 0.02 0.00 0.00 177.57 177.67 2kl4 n PHE 7 N -4.86 0.00 0.08 1.57 3.72 -0.74 -4.29 117.46 112.93 2kl4 n PHE 7 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 2kl4 n PHE 7 Cb 0.10 -0.20 0.16 0.00 -0.94 0.00 0.00 39.48 38.60 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 3.10 0.95 0.00 4.37 0.00 -1.05 -1.85 119.26 124.78 2kl4 h ALA 8 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kl4 h ALA 8 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kl4 h ALA 8 CO 0.00 0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.84 2kl4 h GLU 9 N 0.22 0.00 0.01 0.00 5.08 -1.75 -0.77 114.58 117.38 2kl4 h GLU 9 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kl4 h GLU 9 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2kl4 h GLU 9 CO 0.08 0.00 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.16 2kl4 h TYR 10 N 0.00 -0.01 -0.77 4.33 3.20 -1.62 -3.39 116.97 118.71 2kl4 h TYR 10 Ca 0.00 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.04 2kl4 h TYR 10 Cb 0.35 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.51 2kl4 h TYR 10 CO 0.00 0.67 0.22 -0.07 -1.64 0.00 0.00 178.16 177.34 2kl4 h LEU 11 N -0.98 0.09 -2.17 2.82 3.38 -1.02 -0.87 115.31 116.55 2kl4 h LEU 11 Ca -0.00 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2kl4 h LEU 11 Cb 0.69 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2kl4 h LEU 11 CO 0.00 -0.02 -0.06 0.07 0.09 0.00 0.00 178.44 178.52 2kl4 h LYS 12 N 0.31 0.00 -0.02 1.13 2.10 -1.35 -1.86 116.57 116.88 2kl4 h LYS 12 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2kl4 h LYS 12 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2kl4 h LYS 12 CO -0.51 0.06 -0.19 0.41 -2.00 0.00 0.00 179.45 177.23 2kl4 n GLY 13 N -1.01 0.24 3.61 0.07 0.00 -0.34 -4.86 105.19 102.90 2kl4 n GLY 13 Ca -0.02 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.23 4.14 -1.89 -0.61 1.01 -0.70 -4.90 121.20 116.02 2kl4 s ILE 14 Ca 0.26 1.21 0.25 0.00 0.00 0.00 0.00 60.65 62.38 2kl4 s ILE 14 Cb 0.19 -4.39 0.67 0.00 0.01 0.00 0.00 42.46 38.95 2kl4 s ILE 14 CO 0.43 -0.79 1.87 0.47 0.00 0.00 0.00 174.94 176.92 2kl4 n ASP 15 N 7.98 0.00 -4.06 3.58 8.00 -1.26 -4.28 116.55 126.51 2kl4 n ASP 15 Ca 0.14 -0.66 -0.36 0.00 0.71 0.00 0.00 54.79 54.61 2kl4 n ASP 15 Cb 0.48 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 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 -1.05 4.10 0.11 1.24 8.25 -1.26 -4.94 115.22 121.66 2kl4 n HIS 16 Ca 0.18 -4.04 0.05 0.00 -0.26 0.00 0.00 57.72 53.64 2kl4 n HIS 16 Cb 0.11 -1.12 0.48 0.00 1.12 0.00 0.00 29.99 30.58 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 5.84 0.30 0.00 -0.41 0.13 -1.98 -0.54 132.00 135.34 2kl4 h PRO 17 Ca 0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kl4 h PRO 17 Cb 0.79 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kl4 h PRO 17 CO 0.89 0.26 0.00 -0.25 -0.23 0.00 0.00 178.00 178.67 2kl4 n ASP 18 N -4.44 0.00 0.00 1.44 8.00 -1.26 -2.12 116.55 118.17 2kl4 n ASP 18 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.21 2kl4 n ASP 18 Cb 0.12 -0.08 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 -1.08 0.00 -0.19 1.24 8.25 -1.09 -4.74 115.22 117.61 2kl4 n HIS 19 Ca 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.50 2kl4 n HIS 19 Cb 0.06 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.18 -0.96 -0.41 2.43 -1.02 -2.38 114.38 111.86 2kl4 h ARG 20 Ca 0.00 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 2kl4 h ARG 20 Cb 0.21 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.71 2kl4 h ARG 20 CO 0.00 -0.12 0.61 0.22 -1.51 0.00 0.00 179.97 179.17 2kl4 h ASP 21 N -0.18 0.76 -0.38 -3.80 1.82 -1.68 0.88 116.42 113.83 2kl4 h ASP 21 Ca 0.22 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.89 2kl4 h ASP 21 Cb 0.55 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 2kl4 h ASP 21 CO -0.66 0.35 0.13 0.03 -1.61 0.00 0.00 179.24 177.49 2kl4 h ARG 22 N 0.78 0.58 -0.50 0.28 2.47 -1.71 -2.69 114.38 113.59 2kl4 h ARG 22 Ca 0.51 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 59.10 2kl4 h ARG 22 Cb 0.75 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2kl4 h ARG 22 CO -0.28 0.58 0.28 1.15 0.56 0.00 0.00 179.97 182.26 2kl4 h THR 23 N 0.47 1.15 -0.86 2.04 2.02 -0.59 -2.50 112.91 114.64 2kl4 h THR 23 Ca 0.12 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.94 2kl4 h THR 23 Cb 0.23 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2kl4 h THR 23 CO -0.01 0.16 0.57 -0.33 0.37 0.00 0.00 175.52 176.29 2kl4 h GLU 24 N 0.68 1.11 -0.36 6.66 5.08 -0.88 -2.87 114.58 124.00 2kl4 h GLU 24 Ca 0.18 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2kl4 h GLU 24 Cb 0.01 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2kl4 h GLU 24 CO -0.03 0.74 0.23 0.93 -1.00 0.00 0.00 179.01 179.88 2kl4 h GLU 25 N 1.15 0.47 -0.13 2.33 5.08 -1.37 -2.53 114.58 119.57 2kl4 h GLU 25 Ca 0.32 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 2kl4 h GLU 25 Cb -0.11 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 28.98 2kl4 h GLU 25 CO -0.07 0.31 -0.16 0.82 -1.00 0.00 0.00 179.01 178.90 2kl4 h ILE 26 N 0.48 0.57 0.45 3.13 5.03 -1.52 -0.70 117.51 124.95 2kl4 h ILE 26 Ca 0.14 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.87 2kl4 h ILE 26 Cb -0.04 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 34.30 2kl4 h ILE 26 CO -0.04 0.00 -0.39 -0.07 -0.68 0.00 0.00 178.15 176.97 2kl4 h LEU 27 N -0.20 -1.04 -0.68 1.44 3.38 -1.30 -0.08 115.31 116.83 2kl4 h LEU 27 Ca 0.10 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2kl4 h LEU 27 Cb 0.34 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2kl4 h LEU 27 CO -0.25 -0.55 0.42 0.28 0.09 0.00 0.00 178.44 178.42 2kl4 h SER 28 N -0.84 0.80 -0.71 -0.43 0.02 -1.34 -1.93 113.55 109.11 2kl4 h SER 28 Ca -0.04 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2kl4 h SER 28 Cb 0.73 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2kl4 h SER 28 CO -0.03 0.62 0.31 -0.25 -1.14 0.00 0.00 176.83 176.34 2kl4 h TRP 29 N 0.92 1.06 0.85 3.45 7.01 -0.91 0.51 115.95 128.83 2kl4 h TRP 29 Ca 0.24 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 2kl4 h TRP 29 Cb -0.05 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.69 2kl4 h TRP 29 CO -0.02 0.80 -0.50 0.28 -2.79 0.00 0.00 178.44 176.22 2kl4 h VAL 30 N 1.01 0.00 0.00 2.65 2.07 -0.62 -0.22 116.25 121.14 2kl4 h VAL 30 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 2kl4 h VAL 30 Cb 0.17 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2kl4 h VAL 30 CO -0.02 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.52 2kl4 h ALA 31 N -1.22 1.11 0.28 1.67 0.00 -1.19 0.13 119.26 120.05 2kl4 h ALA 31 Ca -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kl4 h ALA 31 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kl4 h ALA 31 CO 0.13 0.06 -0.13 0.00 0.00 0.00 0.00 179.25 179.31 2kl4 h ALA 32 N 1.95 -0.46 -0.12 0.00 0.00 -0.79 -3.30 119.26 116.53 2kl4 h ALA 32 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2kl4 h ALA 32 Cb 0.29 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kl4 h ALA 32 CO 0.01 -0.44 -0.64 1.15 0.00 0.00 0.00 179.25 179.34 2kl4 h THR 33 N -0.86 1.35 -2.22 0.00 2.02 -0.75 -3.33 112.91 109.12 2kl4 h THR 33 Ca -0.04 -1.97 -0.59 0.00 0.77 0.00 0.00 66.41 64.58 2kl4 h THR 33 Cb 0.29 1.95 -0.42 0.00 -1.74 0.00 0.00 68.15 68.23 2kl4 h THR 33 CO 0.06 0.60 -0.62 0.49 0.37 0.00 0.00 175.52 176.42 2kl4 n PHE 34 N -3.89 3.67 0.40 3.16 3.72 0.45 -4.91 117.46 120.05 2kl4 n PHE 34 Ca -0.04 -4.09 0.08 0.00 -0.05 0.00 0.00 57.45 53.35 2kl4 n PHE 34 Cb 0.65 -0.53 0.35 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.50 0.07 0.00 -1.08 -0.04 -1.24 -1.39 135.00 131.80 2kl4 n PRO 35 Ca 0.30 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 64.17 2kl4 n PRO 35 Cb 0.41 -1.63 0.39 0.00 -0.04 0.00 0.00 33.50 32.62 2kl4 n PRO 35 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kl4 n ASN 36 N -1.76 0.00 -4.76 3.54 5.15 -1.26 -4.71 115.26 111.46 2kl4 n ASN 36 Ca 0.02 -1.21 -0.35 0.00 -0.60 0.00 0.00 54.58 52.45 2kl4 n ASN 36 Cb 0.16 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.33 2kl4 n ASN 36 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kl4 s LEU 37 N -1.51 3.88 0.04 1.20 1.43 -0.49 -3.60 118.68 119.63 2kl4 s LEU 37 Ca 0.20 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.62 2kl4 s LEU 37 Cb 0.09 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2kl4 s LEU 37 CO 0.15 0.37 -0.23 -1.61 0.23 0.00 0.00 176.35 175.25 2kl4 s GLU 38 N -1.10 1.63 0.40 1.70 0.41 0.55 -4.88 118.70 117.41 2kl4 s GLU 38 Ca 0.16 -0.99 -0.23 0.00 -0.41 0.00 0.00 54.97 53.50 2kl4 s GLU 38 Cb -0.12 -1.74 -0.10 0.00 -1.78 0.00 0.00 34.13 30.39 2kl4 s GLU 38 CO 0.05 0.45 0.97 -1.25 -0.49 0.00 0.00 175.26 174.99 2kl4 s PRO 39 N -1.11 4.28 -0.24 0.39 0.04 -1.26 -1.06 135.00 136.03 2kl4 s PRO 39 Ca 0.09 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2kl4 s PRO 39 Cb -0.09 -2.38 0.11 0.00 0.04 0.00 0.00 34.50 32.18 2kl4 s PRO 39 CO 0.02 0.00 0.51 -1.14 0.04 0.00 0.00 177.00 176.43 2kl4 s GLN 40 N -2.80 0.42 -0.39 4.56 0.74 -0.61 -4.90 119.66 116.68 2kl4 s GLN 40 Ca 0.59 1.18 -0.27 0.00 0.05 0.00 0.00 55.36 56.91 2kl4 s GLN 40 Cb -0.14 0.52 0.02 0.00 1.10 0.00 0.00 33.01 34.51 2kl4 s GLN 40 CO 0.18 -0.25 0.97 1.41 -0.55 0.00 0.00 175.29 177.05 2kl4 s MET 41 N 2.72 3.80 0.05 1.67 -2.45 -1.26 -1.51 119.30 122.32 2kl4 s MET 41 Ca -0.02 0.57 -0.15 0.00 -1.25 0.00 0.00 55.69 54.83 2kl4 s MET 41 Cb -0.12 -3.83 0.02 0.00 1.25 0.00 0.00 34.83 32.15 2kl4 s MET 41 CO -0.15 -1.04 0.33 0.21 1.05 0.00 0.00 175.02 175.42 2kl4 s LYS 42 N 3.67 0.85 -0.99 4.11 2.20 -0.92 -4.86 119.74 123.80 2kl4 s LYS 42 Ca 0.40 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 2kl4 s LYS 42 Cb -0.11 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2kl4 s LYS 42 CO 0.21 -0.28 0.00 0.91 -0.36 0.00 0.00 175.35 175.83 2kl4 n TRP 43 N 0.54 -0.98 -1.71 4.03 7.02 -1.26 -0.51 117.44 124.57 2kl4 n TRP 43 Ca -0.18 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.10 2kl4 n TRP 43 Cb 0.60 -2.34 -0.07 0.00 -2.42 0.00 0.00 31.31 27.08 2kl4 n TRP 43 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2kl4 n ASN 44 N -0.91 -5.19 -4.49 -0.99 4.13 -1.26 -5.00 115.26 101.56 2kl4 n ASN 44 Ca -0.11 0.40 -0.25 0.00 1.68 0.00 0.00 54.58 56.30 2kl4 n ASN 44 Cb 0.46 -4.57 -0.10 0.00 -1.54 0.00 0.00 39.78 34.03 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2kl4 s THR 45 N -2.70 2.61 -0.45 3.41 -4.23 0.33 -5.09 115.64 109.52 2kl4 s THR 45 Ca 0.00 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 58.02 2kl4 s THR 45 Cb 0.00 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2kl4 s THR 45 CO 0.00 -0.31 1.17 -2.16 -0.54 0.00 0.00 174.62 172.79 2kl4 s PRO 46 N -3.27 3.75 0.41 3.99 0.04 -1.24 -2.15 135.00 136.52 2kl4 s PRO 46 Ca 0.27 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.07 2kl4 s PRO 46 Cb -0.06 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.51 2kl4 s PRO 46 CO 0.14 -1.35 0.07 0.00 0.04 0.00 0.00 177.00 175.91 2kl4 s MET 47 N 4.43 2.06 0.37 4.56 0.23 -0.57 -2.42 119.30 127.96 2kl4 s MET 47 Ca 0.50 -2.01 0.04 0.00 -1.03 0.00 0.00 55.69 53.18 2kl4 s MET 47 Cb -0.09 -1.77 -0.03 0.00 -1.53 0.00 0.00 34.83 31.42 2kl4 s MET 47 CO 0.30 -0.08 0.15 -0.06 -2.03 0.00 0.00 175.02 173.30 2kl4 s PHE 48 N -2.67 1.75 -0.04 3.16 0.08 -1.25 -1.57 117.98 117.43 2kl4 s PHE 48 Ca 0.37 -1.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 2kl4 s PHE 48 Cb 0.08 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.49 2kl4 s PHE 48 CO 0.20 -0.39 0.11 -1.12 -0.10 0.00 0.00 175.22 173.92 2kl4 s SER 49 N -3.52 -0.12 -0.71 1.36 0.01 -0.22 -4.40 113.70 106.11 2kl4 s SER 49 Ca 0.29 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.52 2kl4 s SER 49 Cb 0.04 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 2kl4 s SER 49 CO 0.17 -0.04 1.78 0.21 0.41 0.00 0.00 173.24 175.76 2kl4 s ASN 50 N 0.10 5.42 0.00 2.44 3.84 -1.26 -0.33 114.94 125.15 2kl4 s ASN 50 Ca -0.00 -0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.02 2kl4 s ASN 50 Cb -0.01 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 2kl4 s ASN 50 CO -0.00 -2.34 0.00 0.00 -2.79 0.00 0.00 177.10 171.97 2kl4 n GLN 51 N 9.14 0.00 0.00 0.43 6.02 -1.24 -2.22 117.38 129.51 2kl4 n GLN 51 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2kl4 n GLN 51 Cb 0.51 -3.87 0.00 0.00 1.02 0.00 0.00 30.24 27.90 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 -1.81 0.00 0.00 1.08 0.00 -1.26 -5.05 105.19 98.15 2kl4 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.43 2.61 -1.04 -0.94 -4.96 114.28 108.52 2kl4 n THR 53 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 2kl4 n THR 53 Cb 0.00 -1.26 0.10 0.00 -1.82 0.00 0.00 70.33 67.35 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 -1.60 0.00 0.83 -1.42 7.35 -1.26 -4.50 117.46 116.86 2kl4 n PHE 54 Ca 0.00 -0.71 0.00 0.00 -0.76 0.00 0.00 57.45 55.98 2kl4 n PHE 54 Cb 0.00 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 39.70 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 -0.92 0.00 -3.56 -2.13 5.41 -1.26 -4.60 119.36 112.30 2kl4 n ILE 55 Ca 0.11 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.70 2kl4 n ILE 55 Cb 0.68 -0.25 -0.06 0.00 -0.71 0.00 0.00 39.64 39.29 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 -1.48 0.00 -0.22 1.39 2.07 -1.20 -4.26 121.20 117.50 2kl4 s ILE 56 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 2kl4 s ILE 56 Cb 0.00 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.71 2kl4 s ILE 56 CO 0.00 0.00 0.97 -0.83 -1.91 0.00 0.00 174.94 173.17 2kl4 s GLY 57 N -0.60 -0.25 0.29 1.50 0.00 -1.21 -3.94 107.32 103.11 2kl4 s GLY 57 Ca -0.06 2.31 0.03 0.00 0.00 0.00 0.00 44.72 46.99 2kl4 s GLY 57 CO 0.06 1.48 0.17 -0.11 0.00 0.00 0.00 173.10 174.70 2kl4 s PHE 58 N -0.34 1.55 0.13 1.90 -0.12 -1.01 -4.00 117.98 116.08 2kl4 s PHE 58 Ca 0.00 -1.41 -0.19 0.00 -0.05 0.00 0.00 56.93 55.29 2kl4 s PHE 58 Cb -0.03 -0.79 0.05 0.00 -0.63 0.00 0.00 43.02 41.62 2kl4 s PHE 58 CO -0.02 -0.58 0.47 0.45 -0.05 0.00 0.00 175.22 175.49 2kl4 s SER 59 N -3.34 -0.35 0.46 1.98 0.15 -1.22 -3.70 113.70 107.68 2kl4 s SER 59 Ca 0.37 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.59 2kl4 s SER 59 Cb 0.05 0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 64.80 2kl4 s SER 59 CO 0.18 -0.88 1.35 0.42 1.20 0.00 0.00 173.24 175.51 2kl4 s THR 60 N -3.68 2.34 0.44 6.45 -4.23 -1.26 -2.65 115.64 113.05 2kl4 s THR 60 Ca 0.02 0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.86 2kl4 s THR 60 Cb 0.01 -3.16 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 2kl4 s THR 60 CO -0.12 0.02 0.01 -0.55 -0.54 0.00 0.00 174.62 173.45 2kl4 s SER 61 N -0.79 3.93 0.19 3.99 0.15 0.34 -4.92 113.70 116.60 2kl4 s SER 61 Ca 0.63 -1.47 -0.12 0.00 0.70 0.00 0.00 55.95 55.69 2kl4 s SER 61 Cb -0.40 -0.09 0.14 0.00 -1.71 0.00 0.00 66.02 63.96 2kl4 s SER 61 CO 0.50 -0.59 1.82 0.50 1.20 0.00 0.00 173.24 176.67 2kl4 h LYS 62 N 1.64 0.65 -0.34 5.44 3.64 -2.00 -3.19 116.57 122.42 2kl4 h LYS 62 Ca -0.44 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 58.66 2kl4 h LYS 62 Cb 1.27 -0.15 -0.39 0.00 -0.41 0.00 0.00 32.23 32.55 2kl4 h LYS 62 CO 0.78 0.43 -1.05 0.72 -2.27 0.00 0.00 179.45 178.07 2kl4 n HIS 63 N -4.77 1.03 -3.68 1.91 8.25 -1.26 -5.08 115.22 111.62 2kl4 n HIS 63 Ca 0.05 -1.71 -0.05 0.00 -0.26 0.00 0.00 57.72 55.75 2kl4 n HIS 63 Cb 0.09 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 30.96 2kl4 n HIS 63 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kl4 s HIS 64 N -2.81 -0.19 0.21 4.41 -3.43 -1.21 -4.00 115.29 108.28 2kl4 s HIS 64 Ca 0.31 -0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.53 2kl4 s HIS 64 Cb 0.35 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 32.08 2kl4 s HIS 64 CO -0.07 -0.76 0.36 -1.17 -2.00 0.00 0.00 174.74 171.11 2kl4 s LEU 65 N -2.82 4.27 -0.14 5.38 2.96 -0.80 -0.50 118.68 127.03 2kl4 s LEU 65 Ca 0.10 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2kl4 s LEU 65 Cb -0.01 -2.99 0.01 0.00 0.50 0.00 0.00 46.19 43.69 2kl4 s LEU 65 CO -0.01 -0.05 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.83 2kl4 s SER 66 N -3.58 3.25 0.00 3.68 1.04 -1.08 -2.80 113.70 114.22 2kl4 s SER 66 Ca 0.36 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 56.24 2kl4 s SER 66 Cb -0.10 -1.47 -0.01 0.00 0.10 0.00 0.00 66.02 64.54 2kl4 s SER 66 CO 0.30 0.09 -0.06 -0.69 0.98 0.00 0.00 173.24 173.85 2kl4 s VAL 67 N 0.79 0.49 -0.20 5.02 1.01 0.20 -3.44 120.40 124.25 2kl4 s VAL 67 Ca -0.07 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2kl4 s VAL 67 Cb -0.16 -0.44 0.15 0.00 0.00 0.00 0.00 36.38 35.94 2kl4 s VAL 67 CO -0.01 0.05 1.15 -0.55 0.00 0.00 0.00 175.10 175.74 2kl4 s SER 68 N -0.39 -0.22 -0.11 3.32 0.15 -1.26 -0.69 113.70 114.51 2kl4 s SER 68 Ca 0.00 0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.79 2kl4 s SER 68 Cb -0.04 0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.40 2kl4 s SER 68 CO -0.00 -0.22 0.17 1.55 1.20 0.00 0.00 173.24 175.94 2kl4 h PRO 69 N 2.29 0.00 0.00 5.44 0.13 -1.90 -3.21 132.00 134.75 2kl4 h PRO 69 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2kl4 h PRO 69 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kl4 h PRO 69 CO 0.27 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 178.67 2kl4 n GLU 70 N -4.73 0.00 0.00 0.86 1.02 -1.26 -3.27 120.64 113.26 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 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 -0.33 0.00 0.16 3.49 0.28 -1.26 -4.85 120.64 118.13 2kl4 n GLU 71 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2kl4 n GLU 71 Cb 0.00 -0.44 0.46 0.00 1.43 0.00 0.00 31.44 32.89 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 1.14 -0.37 3.84 2.10 -1.97 -1.11 117.51 121.13 2kl4 h ILE 72 Ca 0.00 -0.60 0.11 0.00 1.08 0.00 0.00 64.86 65.44 2kl4 h ILE 72 Cb 0.00 1.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 2kl4 h ILE 72 CO 0.00 0.19 0.50 1.23 -1.08 0.00 0.00 178.15 178.98 2kl4 h GLY 73 N 0.58 0.00 0.00 8.18 0.00 -1.91 -1.47 103.07 108.45 2kl4 h GLY 73 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kl4 h GLY 73 CO 0.02 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.95 2kl4 n ILE 74 N -3.49 0.00 0.00 2.60 2.08 -0.48 -4.19 119.36 115.88 2kl4 n ILE 74 Ca 0.07 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.89 2kl4 n ILE 74 Cb 0.66 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 40.56 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 -0.34 0.00 0.01 4.38 2.88 -0.59 -4.17 113.62 115.79 2kl4 n SER 75 Ca 0.00 0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.73 2kl4 n SER 75 Cb 0.00 -0.41 -0.14 0.00 -0.75 0.00 0.00 64.21 62.91 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 0.26 0.00 -1.46 3.07 -1.75 -3.30 115.11 111.93 2kl4 h GLN 76 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2kl4 h GLN 76 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.72 2kl4 h GLN 76 CO 0.00 1.21 0.00 1.19 0.09 0.00 0.00 178.83 181.32 2kl4 n PHE 77 N -3.68 0.06 0.16 0.06 3.72 -1.25 -3.06 117.46 113.46 2kl4 n PHE 77 Ca -0.30 0.02 0.17 0.00 -0.05 0.00 0.00 57.45 57.29 2kl4 n PHE 77 Cb 0.99 -0.54 0.76 0.00 -0.94 0.00 0.00 39.48 39.76 2kl4 n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 h ALA 78 N 2.58 2.03 -0.14 4.37 0.00 -1.72 -0.51 119.26 125.86 2kl4 h ALA 78 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2kl4 h ALA 78 Cb 0.31 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kl4 h ALA 78 CO 0.00 -0.36 -0.55 0.22 0.00 0.00 0.00 179.25 178.56 2kl4 h ASP 79 N 0.00 0.73 -0.55 0.00 1.82 -1.80 0.28 116.42 116.91 2kl4 h ASP 79 Ca 0.12 -0.62 -0.07 0.00 -0.39 0.00 0.00 57.03 56.08 2kl4 h ASP 79 Cb 0.58 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 2kl4 h ASP 79 CO -0.00 1.22 0.10 0.00 -1.61 0.00 0.00 179.24 178.95 2kl4 h ALA 80 N 0.53 1.07 0.06 -0.78 0.00 -1.60 -2.67 119.26 115.86 2kl4 h ALA 80 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kl4 h ALA 80 Cb 1.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kl4 h ALA 80 CO 0.12 0.60 -0.03 0.82 0.00 0.00 0.00 179.25 180.76 2kl4 h ILE 81 N 0.89 0.94 -0.55 0.00 2.04 -0.99 -3.21 117.51 116.63 2kl4 h ILE 81 Ca 0.18 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.15 2kl4 h ILE 81 Cb 0.38 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 2kl4 h ILE 81 CO 0.01 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.25 2kl4 h ALA 82 N 0.86 0.61 -0.07 1.87 0.00 -0.67 -1.35 119.26 120.52 2kl4 h ALA 82 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2kl4 h ALA 82 Cb 0.07 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kl4 h ALA 82 CO 0.01 -0.33 0.05 1.96 0.00 0.00 0.00 179.25 180.94 2kl4 h GLN 83 N 0.22 0.02 0.00 0.00 4.20 -1.49 -0.16 115.11 117.90 2kl4 h GLN 83 Ca 0.28 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2kl4 h GLN 83 Cb 0.41 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2kl4 h GLN 83 CO -0.39 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 177.78 2kl4 h ALA 84 N 1.96 1.00 0.00 3.87 0.00 -1.28 -3.47 119.26 121.35 2kl4 h ALA 84 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kl4 h ALA 84 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kl4 h ALA 84 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kl4 n GLY 85 N 0.43 1.67 3.80 0.00 0.00 -0.07 -5.09 105.19 105.93 2kl4 n GLY 85 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.31 2.87 0.00 1.61 2.02 -1.23 -4.99 117.35 115.32 2kl4 s TYR 86 Ca 0.00 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 2kl4 s TYR 86 Cb 0.00 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.56 2kl4 s TYR 86 CO 0.00 -1.58 0.51 0.45 -1.57 0.00 0.00 175.55 173.36 2kl4 n SER 87 N -3.35 0.79 0.00 2.29 2.88 -1.26 -3.41 113.62 111.56 2kl4 n SER 87 Ca 0.08 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 2kl4 n SER 87 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2kl4 n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kl4 n ALA 88 N -0.13 0.00 -3.41 -1.46 0.00 -1.26 -4.92 120.51 109.33 2kl4 n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kl4 n ALA 88 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 0.00 0.12 0.00 -2.24 0.28 -4.79 114.28 107.66 2kl4 n THR 89 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2kl4 n THR 89 Cb 0.00 -0.03 0.20 0.00 -2.10 0.00 0.00 70.33 68.40 2kl4 n THR 89 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2kl4 h LYS 90 N 0.00 0.11 0.00 -0.78 1.57 -1.96 -3.41 116.57 112.10 2kl4 h LYS 90 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kl4 h LYS 90 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2kl4 h LYS 90 CO 0.00 0.61 -0.58 0.41 -0.57 0.00 0.00 179.45 179.32 2kl4 n GLY 91 N 0.04 0.00 3.23 3.86 0.00 -1.26 -4.84 105.19 106.22 2kl4 n GLY 91 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.79 1.61 0.11 0.99 0.05 -1.26 -4.69 118.68 113.68 2kl4 s LEU 92 Ca 0.00 -1.31 0.07 0.00 0.05 0.00 0.00 54.13 52.94 2kl4 s LEU 92 Cb 0.00 0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 44.27 2kl4 s LEU 92 CO 0.00 -0.73 -0.08 0.72 -0.55 0.00 0.00 176.35 175.70 2kl4 s PHE 93 N -3.92 2.77 0.00 3.48 -0.12 0.13 -0.55 117.98 119.78 2kl4 s PHE 93 Ca 0.33 -0.14 -0.01 0.00 -0.05 0.00 0.00 56.93 57.06 2kl4 s PHE 93 Cb 0.07 -1.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.02 2kl4 s PHE 93 CO 0.09 0.44 0.01 -0.98 -0.05 0.00 0.00 175.22 174.73 2kl4 s ARG 94 N -2.27 0.20 0.02 1.99 1.04 -1.26 -0.63 118.95 118.03 2kl4 s ARG 94 Ca 0.22 -0.29 0.03 0.00 -1.04 0.00 0.00 55.73 54.65 2kl4 s ARG 94 Cb -0.11 0.07 -0.01 0.00 -2.04 0.00 0.00 34.95 32.86 2kl4 s ARG 94 CO 0.15 -0.03 -0.09 0.42 -0.04 0.00 0.00 175.30 175.70 2kl4 s ILE 95 N -0.77 0.72 0.75 4.99 -1.09 -1.12 -4.83 121.20 119.85 2kl4 s ILE 95 Ca -0.08 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 2kl4 s ILE 95 Cb -0.05 -0.66 0.04 0.00 -1.58 0.00 0.00 42.46 40.21 2kl4 s ILE 95 CO -0.00 0.00 1.08 -2.16 -1.23 0.00 0.00 174.94 172.63 2kl4 s PRO 96 N -0.74 2.48 0.32 2.79 0.04 -1.26 -1.90 135.00 136.73 2kl4 s PRO 96 Ca -0.00 0.92 0.24 0.00 0.04 0.00 0.00 61.00 62.20 2kl4 s PRO 96 Cb -0.06 -1.94 1.14 0.00 0.04 0.00 0.00 34.50 33.68 2kl4 s PRO 96 CO 0.00 -1.42 1.74 -1.49 0.04 0.00 0.00 177.00 175.88 2kl4 h TRP 97 N -0.95 0.00 -0.70 0.56 -0.00 -1.93 -2.27 115.95 110.66 2kl4 h TRP 97 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.39 2kl4 h TRP 97 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.36 2kl4 h TRP 97 CO 0.56 0.00 0.25 -0.97 -0.00 0.00 0.00 178.44 178.28 2kl4 h ASN 98 N 0.00 0.99 -2.65 -3.49 -1.24 -1.92 -3.47 115.58 103.79 2kl4 h ASN 98 Ca 0.00 -0.16 -0.49 0.00 0.71 0.00 0.00 56.30 56.36 2kl4 h ASN 98 Cb 0.23 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 2kl4 h ASN 98 CO 0.00 0.90 -0.29 -1.81 -1.29 0.00 0.00 177.43 174.94 2kl4 s ASP 99 N -6.44 6.33 -0.01 1.15 1.11 -0.86 -5.06 116.67 112.89 2kl4 s ASP 99 Ca -0.11 0.34 -0.30 0.00 0.18 0.00 0.00 52.55 52.65 2kl4 s ASP 99 Cb 0.16 -1.98 -0.05 0.00 1.07 0.00 0.00 42.92 42.12 2kl4 s ASP 99 CO 0.83 -0.17 1.29 -2.16 1.18 0.00 0.00 175.17 176.14 2kl4 s PRO 100 N -3.95 4.33 0.00 8.23 0.04 -1.26 -4.89 135.00 137.51 2kl4 s PRO 100 Ca 0.38 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2kl4 s PRO 100 Cb -0.10 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.92 2kl4 s PRO 100 CO 0.32 -0.47 0.56 1.33 0.04 0.00 0.00 177.00 178.78 2kl4 n VAL 101 N 4.51 0.00 -3.21 -0.36 0.24 -1.26 -4.87 118.33 113.38 2kl4 n VAL 101 Ca 0.12 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.21 2kl4 n VAL 101 Cb 0.45 -0.39 0.02 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.07 -3.01 -0.03 6.34 8.25 -1.26 -4.87 115.22 120.57 2kl4 n HIS 102 Ca 0.00 1.22 -0.13 0.00 -0.26 0.00 0.00 57.72 58.55 2kl4 n HIS 102 Cb 0.19 -3.10 -0.09 0.00 1.12 0.00 0.00 29.99 28.11 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 1.66 0.14 -0.68 4.41 -1.99 -1.98 -2.44 116.97 116.08 2kl4 h TYR 103 Ca -0.28 -0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.45 2kl4 h TYR 103 Cb 1.19 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.86 2kl4 h TYR 103 CO 0.09 0.56 0.45 1.49 -0.00 0.00 0.00 178.16 180.74 2kl4 h GLU 104 N -0.31 0.80 0.04 4.88 4.81 -1.99 0.19 114.58 123.00 2kl4 h GLU 104 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kl4 h GLU 104 Cb 0.53 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2kl4 h GLU 104 CO 0.01 0.53 -0.02 1.25 -0.73 0.00 0.00 179.01 180.05 2kl4 h LEU 105 N 0.82 -0.05 -0.90 1.64 6.46 -1.94 -3.06 115.31 118.29 2kl4 h LEU 105 Ca 0.27 -0.23 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 2kl4 h LEU 105 Cb 0.05 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2kl4 h LEU 105 CO -0.07 0.21 -0.53 0.17 -0.62 0.00 0.00 178.44 177.59 2kl4 h LEU 106 N -0.30 0.00 -0.80 2.25 8.10 -0.90 -2.67 115.31 120.99 2kl4 h LEU 106 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 2kl4 h LEU 106 Cb 0.28 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.47 2kl4 h LEU 106 CO 0.01 0.53 0.19 0.07 -4.11 0.00 0.00 178.44 175.13 2kl4 h LYS 107 N 0.00 1.09 -0.15 0.17 2.10 -0.68 -1.78 116.57 117.32 2kl4 h LYS 107 Ca -0.01 -0.24 0.02 0.00 -2.00 0.00 0.00 60.65 58.42 2kl4 h LYS 107 Cb 0.97 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 2kl4 h LYS 107 CO 0.07 0.95 0.01 1.96 -2.00 0.00 0.00 179.45 180.44 2kl4 h GLN 108 N 1.04 0.06 -0.20 0.07 4.20 -1.36 0.47 115.11 119.40 2kl4 h GLN 108 Ca 0.22 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.85 2kl4 h GLN 108 Cb 0.33 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2kl4 h GLN 108 CO -0.00 0.04 -0.17 0.00 -0.67 0.00 0.00 178.83 178.03 2kl4 h MET 109 N 0.07 0.46 -0.11 1.46 -0.00 -1.54 -2.33 114.93 112.94 2kl4 h MET 109 Ca 0.07 -0.24 -0.06 0.00 -0.00 0.00 0.00 59.70 59.47 2kl4 h MET 109 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.68 2kl4 h MET 109 CO -0.11 0.80 -0.16 0.97 -0.00 0.00 0.00 176.91 178.41 2kl4 h ILE 110 N 0.14 1.37 -0.09 -0.10 -0.00 -1.15 0.30 117.51 117.97 2kl4 h ILE 110 Ca 0.03 -1.39 -0.03 0.00 -0.00 0.00 0.00 64.86 63.47 2kl4 h ILE 110 Cb 0.71 2.02 -0.01 0.00 -0.00 0.00 0.00 36.82 39.54 2kl4 h ILE 110 CO 0.04 0.40 -0.10 -0.33 -0.00 0.00 0.00 178.15 178.16 2kl4 h GLU 111 N -0.11 0.14 0.21 2.19 5.08 -1.00 -0.24 114.58 120.84 2kl4 h GLU 111 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kl4 h GLU 111 Cb 0.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2kl4 h GLU 111 CO 0.04 0.25 -0.10 0.35 -1.00 0.00 0.00 179.01 178.55 2kl4 h PHE 112 N 0.14 -0.26 0.00 4.33 3.57 -1.32 -2.87 116.94 120.53 2kl4 h PHE 112 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2kl4 h PHE 112 Cb 0.27 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2kl4 h PHE 112 CO 0.00 0.10 0.00 -0.97 -2.23 0.00 0.00 178.31 175.22 2kl4 h ASN 113 N -0.68 0.00 0.00 0.41 -0.00 -0.10 0.13 115.58 115.33 2kl4 h ASN 113 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2kl4 h ASN 113 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.80 2kl4 h ASN 113 CO 0.05 0.00 0.00 -0.38 -0.00 0.00 0.00 177.43 177.10 2kl4 n ILE 114 N -2.79 0.00 0.31 2.57 5.41 -0.18 -4.01 119.36 120.66 2kl4 n ILE 114 Ca 0.00 1.31 0.10 0.00 1.00 0.00 0.00 62.75 65.16 2kl4 n ILE 114 Cb 0.23 -2.29 0.43 0.00 -0.71 0.00 0.00 39.64 37.30 2kl4 n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kl4 n GLN 115 N -1.73 0.13 0.05 0.38 10.64 0.03 -0.77 117.38 126.10 2kl4 n GLN 115 Ca 0.00 0.46 0.12 0.00 -1.83 0.00 0.00 57.00 55.75 2kl4 n GLN 115 Cb 0.00 -1.79 0.49 0.00 -0.86 0.00 0.00 30.24 28.07 2kl4 n GLN 115 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2kl4 n ASP 116 N -2.04 0.34 0.00 2.61 2.03 0.24 -3.18 116.55 116.56 2kl4 n ASP 116 Ca 0.01 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2kl4 n ASP 116 Cb 0.14 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 -1.83 0.30 -0.09 -0.67 4.76 0.05 -5.07 118.16 115.61 2kl4 n LYS 117 Ca 0.05 -0.56 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 2kl4 n LYS 117 Cb 0.33 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 2kl4 n LYS 117 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12