#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 0.81 -0.07 1.61 0.01 -1.26 -5.03 113.70 109.77 2kl4 s SER 2 Ca 0.00 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.88 2kl4 s SER 2 Cb 0.00 -0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 2kl4 s SER 2 CO 0.00 -4.19 -0.06 0.00 0.41 0.00 0.00 173.24 169.40 2kl4 n HIS 3 N -4.80 0.00 -0.17 2.43 -0.00 -1.26 -4.74 115.22 106.68 2kl4 n HIS 3 Ca 0.14 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 58.02 2kl4 n HIS 3 Cb 0.60 -0.27 0.52 0.00 -0.00 0.00 0.00 29.99 30.84 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 0.37 -0.76 -1.40 0.00 -1.96 -2.09 114.93 109.09 2kl4 h MET 4 Ca -0.16 -0.02 0.06 0.00 0.00 0.00 0.00 59.70 59.58 2kl4 h MET 4 Cb 1.25 -0.08 -0.06 0.00 0.00 0.00 0.00 31.60 32.71 2kl4 h MET 4 CO -0.02 0.24 0.45 1.05 0.00 0.00 0.00 176.91 178.63 2kl4 h GLU 5 N 0.38 0.80 -0.70 1.72 4.11 -2.00 -1.01 114.58 117.88 2kl4 h GLU 5 Ca 0.39 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.71 2kl4 h GLU 5 Cb 0.96 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2kl4 h GLU 5 CO -0.12 0.53 0.19 0.28 0.07 0.00 0.00 179.01 179.96 2kl4 h VAL 6 N 0.83 1.26 0.00 -1.06 2.07 -1.70 -3.29 116.25 114.36 2kl4 h VAL 6 Ca 0.33 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2kl4 h VAL 6 Cb 0.17 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2kl4 h VAL 6 CO -0.17 0.36 -1.71 0.49 0.02 0.00 0.00 177.57 176.56 2kl4 n PHE 7 N -4.26 0.27 0.04 1.57 3.72 -1.00 -4.54 117.46 113.26 2kl4 n PHE 7 Ca 0.05 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2kl4 n PHE 7 Cb 0.25 -0.63 0.31 0.00 -0.94 0.00 0.00 39.48 38.47 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 2.01 1.38 -0.85 4.37 0.00 -1.26 0.14 119.26 125.05 2kl4 h ALA 8 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.87 2kl4 h ALA 8 Cb 1.00 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 2kl4 h ALA 8 CO 0.00 0.43 0.37 0.93 0.00 0.00 0.00 179.25 180.98 2kl4 h GLU 9 N 0.40 0.45 -0.15 0.00 5.08 -1.80 -0.29 114.58 118.28 2kl4 h GLU 9 Ca 0.08 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2kl4 h GLU 9 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kl4 h GLU 9 CO 0.02 0.30 -0.41 -0.92 -1.00 0.00 0.00 179.01 176.99 2kl4 h TYR 10 N 0.46 0.69 -0.40 4.33 3.20 -1.27 -1.81 116.97 122.17 2kl4 h TYR 10 Ca 0.50 -0.27 0.04 0.00 3.14 0.00 0.00 58.73 62.14 2kl4 h TYR 10 Cb 0.84 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2kl4 h TYR 10 CO -0.14 1.03 0.16 -0.07 -1.64 0.00 0.00 178.16 177.49 2kl4 h LEU 11 N 0.16 0.19 -0.75 2.82 -0.00 -1.09 -0.09 115.31 116.55 2kl4 h LEU 11 Ca -0.01 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 57.99 2kl4 h LEU 11 Cb 1.03 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.63 2kl4 h LEU 11 CO 0.09 0.14 0.41 0.11 -0.00 0.00 0.00 178.44 179.20 2kl4 h LYS 12 N 0.33 0.70 0.00 1.13 1.57 -1.08 -2.68 116.57 116.53 2kl4 h LYS 12 Ca 0.18 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2kl4 h LYS 12 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2kl4 h LYS 12 CO -0.17 0.46 -0.14 0.78 -0.57 0.00 0.00 179.45 179.81 2kl4 h GLY 13 N 0.72 0.00 -6.88 3.86 0.00 -0.14 -3.40 103.07 97.22 2kl4 h GLY 13 Ca 0.36 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.10 2kl4 h GLY 13 CO -0.23 0.00 1.37 -0.42 0.00 0.00 0.00 176.54 177.26 2kl4 s ILE 14 N -4.12 3.26 -1.20 2.60 1.01 -0.70 -4.85 121.20 117.21 2kl4 s ILE 14 Ca -0.02 0.27 0.19 0.00 0.00 0.00 0.00 60.65 61.08 2kl4 s ILE 14 Cb 0.13 -3.35 0.24 0.00 0.01 0.00 0.00 42.46 39.49 2kl4 s ILE 14 CO 0.60 -0.22 1.59 -0.67 0.00 0.00 0.00 174.94 176.24 2kl4 n ASP 15 N 10.84 0.00 -3.63 3.58 2.03 -1.26 -4.25 116.55 123.86 2kl4 n ASP 15 Ca 0.26 0.28 -0.32 0.00 0.52 0.00 0.00 54.79 55.53 2kl4 n ASP 15 Cb 0.46 -0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 40.40 2kl4 n ASP 15 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2kl4 n HIS 16 N -1.40 3.26 0.26 -0.67 -0.00 -1.26 -4.95 115.22 110.45 2kl4 n HIS 16 Ca 0.07 -3.69 0.08 0.00 0.46 0.00 0.00 57.72 54.64 2kl4 n HIS 16 Cb 0.19 -0.79 0.65 0.00 -0.12 0.00 0.00 29.99 29.92 2kl4 n HIS 16 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kl4 h PRO 17 N 4.64 0.00 0.00 1.57 0.13 -1.96 -1.39 132.00 134.98 2kl4 h PRO 17 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kl4 h PRO 17 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2kl4 h PRO 17 CO 0.99 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.55 2kl4 n ASP 18 N -4.37 0.00 0.00 1.44 8.00 -1.26 -1.50 116.55 118.86 2kl4 n ASP 18 Ca -0.03 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2kl4 n ASP 18 Cb 0.13 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.41 0.00 0.20 1.24 8.25 -0.57 -4.75 115.22 118.18 2kl4 n HIS 19 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 2kl4 n HIS 19 Cb 0.06 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.51 -0.05 -0.41 1.12 -0.80 -3.37 114.38 110.36 2kl4 h ARG 20 Ca 0.00 0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 2kl4 h ARG 20 Cb 0.00 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 2kl4 h ARG 20 CO 0.00 -0.20 -0.10 -0.44 -3.11 0.00 0.00 179.97 176.12 2kl4 h ASP 21 N -0.92 0.06 -0.62 -3.80 3.32 -1.83 -0.01 116.42 112.62 2kl4 h ASP 21 Ca -0.05 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.11 2kl4 h ASP 21 Cb 0.55 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 39.96 2kl4 h ASP 21 CO 0.09 0.18 -0.18 0.03 -1.72 0.00 0.00 179.24 177.64 2kl4 h ARG 22 N 0.07 -0.02 -0.54 3.56 -0.00 -1.88 -2.32 114.38 113.24 2kl4 h ARG 22 Ca 0.01 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.50 2kl4 h ARG 22 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 2kl4 h ARG 22 CO 0.01 -0.01 0.35 1.15 0.00 0.00 0.00 179.97 181.47 2kl4 h THR 23 N -0.02 1.13 -0.93 2.04 2.02 -1.17 -2.54 112.91 113.44 2kl4 h THR 23 Ca 0.29 -0.25 0.20 0.00 0.77 0.00 0.00 66.41 67.43 2kl4 h THR 23 Cb 0.47 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 2kl4 h THR 23 CO -0.65 0.13 0.60 -0.33 0.37 0.00 0.00 175.52 175.65 2kl4 h GLU 24 N 0.72 0.46 -0.06 6.66 4.39 -1.41 -2.10 114.58 123.24 2kl4 h GLU 24 Ca 0.20 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2kl4 h GLU 24 Cb -0.07 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2kl4 h GLU 24 CO -0.05 0.31 -0.03 0.93 -1.16 0.00 0.00 179.01 179.01 2kl4 h GLU 25 N 0.48 0.13 -0.21 2.33 4.39 -1.25 -2.70 114.58 117.74 2kl4 h GLU 25 Ca 0.49 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.18 2kl4 h GLU 25 Cb 1.12 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 2kl4 h GLU 25 CO -0.21 0.52 -0.05 0.82 -1.16 0.00 0.00 179.01 178.92 2kl4 h ILE 26 N -0.26 0.79 -0.24 3.13 2.04 -1.50 -1.91 117.51 119.56 2kl4 h ILE 26 Ca 0.01 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2kl4 h ILE 26 Cb 0.48 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2kl4 h ILE 26 CO 0.01 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.10 2kl4 h LEU 27 N 0.00 -0.06 -0.65 1.44 3.38 -1.29 0.57 115.31 118.71 2kl4 h LEU 27 Ca 0.10 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2kl4 h LEU 27 Cb 0.15 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2kl4 h LEU 27 CO -0.21 0.00 0.08 -1.28 0.09 0.00 0.00 178.44 177.11 2kl4 h SER 28 N 0.09 1.05 -0.74 -0.43 0.87 -1.45 -2.82 113.55 110.13 2kl4 h SER 28 Ca 0.11 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.35 2kl4 h SER 28 Cb 0.13 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2kl4 h SER 28 CO -0.18 1.06 0.29 -0.25 -0.53 0.00 0.00 176.83 177.23 2kl4 h TRP 29 N 1.00 1.14 -0.31 2.24 7.01 -0.57 -2.37 115.95 124.08 2kl4 h TRP 29 Ca 0.19 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 61.13 2kl4 h TRP 29 Cb 0.48 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2kl4 h TRP 29 CO 0.04 0.87 0.17 0.28 -2.79 0.00 0.00 178.44 177.00 2kl4 h VAL 30 N 1.10 1.00 0.00 2.65 2.07 -0.76 0.50 116.25 122.81 2kl4 h VAL 30 Ca 0.25 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2kl4 h VAL 30 Cb 0.22 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2kl4 h VAL 30 CO -0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2kl4 n ALA 31 N -2.23 1.37 -0.09 1.67 0.00 -0.92 -0.37 120.51 119.94 2kl4 n ALA 31 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 2kl4 n ALA 31 Cb 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2kl4 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl4 n ALA 32 N -1.44 0.90 -0.09 0.00 0.00 -0.55 -4.12 120.51 115.22 2kl4 n ALA 32 Ca 0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 2kl4 n ALA 32 Cb 0.07 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.57 2kl4 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kl4 h THR 33 N -0.96 1.28 -2.19 0.00 2.02 -0.91 -3.35 112.91 108.80 2kl4 h THR 33 Ca 0.00 -1.57 -0.58 0.00 0.77 0.00 0.00 66.41 65.02 2kl4 h THR 33 Cb 0.96 1.44 -0.42 0.00 -1.74 0.00 0.00 68.15 68.39 2kl4 h THR 33 CO 0.00 0.52 -0.72 0.49 0.37 0.00 0.00 175.52 176.18 2kl4 n PHE 34 N -4.05 3.09 0.45 3.16 3.72 0.50 -4.89 117.46 119.44 2kl4 n PHE 34 Ca -0.02 -4.01 0.07 0.00 -0.05 0.00 0.00 57.45 53.44 2kl4 n PHE 34 Cb 0.54 -0.50 0.30 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.42 0.01 0.18 -1.08 -0.04 -1.23 -2.71 135.00 130.56 2kl4 n PRO 35 Ca 0.29 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 2kl4 n PRO 35 Cb 0.44 -1.52 0.34 0.00 -0.04 0.00 0.00 33.50 32.71 2kl4 n PRO 35 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kl4 h ASN 36 N 0.00 0.00 -4.01 3.54 2.35 -1.90 -3.43 115.58 112.13 2kl4 h ASN 36 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2kl4 h ASN 36 Cb 0.24 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.67 2kl4 h ASN 36 CO 0.00 0.41 0.48 -0.76 -1.65 0.00 0.00 177.43 175.92 2kl4 s LEU 37 N -7.71 3.97 0.08 1.61 2.01 -1.10 -3.99 118.68 113.55 2kl4 s LEU 37 Ca -0.02 2.31 0.08 0.00 0.01 0.00 0.00 54.13 56.51 2kl4 s LEU 37 Cb 0.13 -4.29 -0.03 0.00 0.01 0.00 0.00 46.19 42.01 2kl4 s LEU 37 CO 0.71 -0.98 -0.21 -1.61 1.01 0.00 0.00 176.35 175.27 2kl4 s GLU 38 N -2.78 1.23 0.45 1.70 0.41 0.18 -4.89 118.70 114.99 2kl4 s GLU 38 Ca 0.65 -1.07 -0.22 0.00 -0.41 0.00 0.00 54.97 53.92 2kl4 s GLU 38 Cb -0.28 -1.43 -0.09 0.00 -1.78 0.00 0.00 34.13 30.54 2kl4 s GLU 38 CO 0.34 0.35 1.02 -1.25 -0.49 0.00 0.00 175.26 175.23 2kl4 s PRO 39 N -1.62 4.01 -0.46 0.39 0.04 -1.26 -0.98 135.00 135.12 2kl4 s PRO 39 Ca 0.07 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.50 2kl4 s PRO 39 Cb -0.10 -2.26 0.19 0.00 0.04 0.00 0.00 34.50 32.38 2kl4 s PRO 39 CO 0.03 -0.25 0.80 -1.14 0.04 0.00 0.00 177.00 176.48 2kl4 s GLN 40 N -2.98 0.82 0.19 4.56 0.74 -1.12 -4.87 119.66 117.00 2kl4 s GLN 40 Ca 0.63 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.04 2kl4 s GLN 40 Cb -0.16 -0.01 -0.08 0.00 1.10 0.00 0.00 33.01 33.85 2kl4 s GLN 40 CO 0.21 -1.05 1.27 0.00 -0.55 0.00 0.00 175.29 175.17 2kl4 s MET 41 N 1.14 4.42 0.01 1.67 0.23 -1.26 -3.98 119.30 121.53 2kl4 s MET 41 Ca 0.25 1.99 -0.22 0.00 -1.03 0.00 0.00 55.69 56.68 2kl4 s MET 41 Cb 0.02 -3.21 0.05 0.00 -1.53 0.00 0.00 34.83 30.15 2kl4 s MET 41 CO -0.07 -0.20 0.48 0.21 -2.03 0.00 0.00 175.02 173.41 2kl4 s LYS 42 N -0.11 0.94 -0.73 3.16 2.20 -0.20 -4.88 119.74 120.12 2kl4 s LYS 42 Ca 0.56 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 2kl4 s LYS 42 Cb -0.35 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 2kl4 s LYS 42 CO 0.37 -0.31 0.00 0.91 -0.36 0.00 0.00 175.35 175.96 2kl4 n TRP 43 N 0.71 -1.50 -1.79 4.03 7.02 -1.26 -0.25 117.44 124.39 2kl4 n TRP 43 Ca -0.19 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.16 2kl4 n TRP 43 Cb 0.59 -2.16 -0.03 0.00 -2.42 0.00 0.00 31.31 27.28 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 -1.53 -4.36 -4.24 -0.99 2.85 -1.26 -5.03 115.26 100.70 2kl4 n ASN 44 Ca -0.10 0.17 -0.26 0.00 -0.11 0.00 0.00 54.58 54.28 2kl4 n ASN 44 Cb 0.54 -3.27 -0.15 0.00 1.24 0.00 0.00 39.78 38.15 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 -2.57 1.64 -0.03 -0.44 -4.23 0.65 -5.01 115.64 105.65 2kl4 s THR 45 Ca 0.00 -1.08 -0.30 0.00 -1.18 0.00 0.00 61.69 59.13 2kl4 s THR 45 Cb 0.00 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 2kl4 s THR 45 CO 0.00 0.29 1.32 -2.16 -0.54 0.00 0.00 174.62 173.53 2kl4 s PRO 46 N -0.94 4.31 0.13 3.99 0.04 -1.25 -1.03 135.00 140.25 2kl4 s PRO 46 Ca 0.08 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.96 2kl4 s PRO 46 Cb -0.08 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2kl4 s PRO 46 CO 0.01 -0.53 0.00 0.00 0.04 0.00 0.00 177.00 176.52 2kl4 s MET 47 N 2.40 0.95 0.19 4.56 0.23 -1.26 -2.10 119.30 124.27 2kl4 s MET 47 Ca 0.60 -1.43 0.07 0.00 -1.03 0.00 0.00 55.69 53.90 2kl4 s MET 47 Cb -0.28 -0.05 -0.05 0.00 -1.53 0.00 0.00 34.83 32.92 2kl4 s MET 47 CO 0.24 -0.14 -0.14 -0.06 -2.03 0.00 0.00 175.02 172.88 2kl4 s PHE 48 N -3.79 1.64 -0.10 3.16 0.08 -0.76 -2.80 117.98 115.42 2kl4 s PHE 48 Ca 0.20 -0.58 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2kl4 s PHE 48 Cb 0.07 -0.78 0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2kl4 s PHE 48 CO 0.00 0.31 -0.11 -1.12 -0.10 0.00 0.00 175.22 174.20 2kl4 s SER 49 N -3.15 2.11 -1.12 1.36 0.01 -0.15 -3.90 113.70 108.86 2kl4 s SER 49 Ca 0.20 -0.33 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 2kl4 s SER 49 Cb -0.01 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 2kl4 s SER 49 CO 0.06 -0.04 1.78 0.21 0.41 0.00 0.00 173.24 175.66 2kl4 s ASN 50 N 1.20 5.87 0.00 2.44 2.47 -1.26 -0.65 114.94 125.01 2kl4 s ASN 50 Ca -0.04 -1.62 0.00 0.00 0.42 0.00 0.00 52.86 51.62 2kl4 s ASN 50 Cb -0.14 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2kl4 s ASN 50 CO -0.03 -2.15 0.00 0.00 -3.72 0.00 0.00 177.10 171.20 2kl4 n GLN 51 N 8.57 0.00 0.00 0.43 6.02 -1.26 -3.58 117.38 127.56 2kl4 n GLN 51 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2kl4 n GLN 51 Cb 0.47 -3.38 0.00 0.00 1.02 0.00 0.00 30.24 28.35 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 -1.88 0.26 0.00 1.08 0.00 -1.26 -5.06 105.19 98.33 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 -1.30 0.00 0.00 0.00 173.32 172.02 2kl4 n THR 53 N 0.00 0.00 -1.70 2.61 -2.24 -1.23 -4.92 114.28 106.80 2kl4 n THR 53 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2kl4 n THR 53 Cb 0.00 -1.81 0.13 0.00 -2.10 0.00 0.00 70.33 66.55 2kl4 n THR 53 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2kl4 n PHE 54 N -1.26 0.00 0.66 4.78 7.35 -1.26 -4.19 117.46 123.54 2kl4 n PHE 54 Ca 0.00 -0.99 0.06 0.00 -0.76 0.00 0.00 57.45 55.75 2kl4 n PHE 54 Cb 0.00 -0.18 0.33 0.00 0.35 0.00 0.00 39.48 39.97 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 -0.73 0.25 -3.60 -2.13 5.41 -1.26 -4.62 119.36 112.68 2kl4 n ILE 55 Ca 0.13 0.06 -0.14 0.00 1.00 0.00 0.00 62.75 63.80 2kl4 n ILE 55 Cb 0.77 -0.88 -0.07 0.00 -0.71 0.00 0.00 39.64 38.76 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 -2.20 0.00 0.09 1.39 2.07 -1.15 -4.22 121.20 117.17 2kl4 s ILE 56 Ca 0.15 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.14 2kl4 s ILE 56 Cb 0.08 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.75 2kl4 s ILE 56 CO 0.15 0.00 0.67 -0.83 -1.91 0.00 0.00 174.94 173.01 2kl4 s GLY 57 N -0.05 -0.58 -0.08 1.50 0.00 -1.24 -1.82 107.32 105.04 2kl4 s GLY 57 Ca -0.02 0.77 -0.09 0.00 0.00 0.00 0.00 44.72 45.37 2kl4 s GLY 57 CO 0.02 0.37 0.26 -0.11 0.00 0.00 0.00 173.10 173.64 2kl4 s PHE 58 N -3.09 -0.26 -0.15 1.90 -0.12 -0.89 -4.12 117.98 111.26 2kl4 s PHE 58 Ca -0.01 0.61 -0.02 0.00 -0.05 0.00 0.00 56.93 57.46 2kl4 s PHE 58 Cb -0.01 0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.52 2kl4 s PHE 58 CO -0.08 -0.17 0.01 -1.12 -0.05 0.00 0.00 175.22 173.82 2kl4 s SER 59 N -0.08 2.40 0.24 1.98 0.01 -1.26 -3.85 113.70 113.14 2kl4 s SER 59 Ca -0.02 -0.53 -0.31 0.00 1.31 0.00 0.00 55.95 56.40 2kl4 s SER 59 Cb -0.02 -0.56 -0.13 0.00 0.21 0.00 0.00 66.02 65.51 2kl4 s SER 59 CO 0.01 -0.25 1.41 0.35 0.41 0.00 0.00 173.24 175.16 2kl4 n THR 60 N 5.07 0.95 -4.18 1.44 -2.24 -1.26 -4.36 114.28 109.70 2kl4 n THR 60 Ca -0.09 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.23 2kl4 n THR 60 Cb 0.48 -1.47 -0.07 0.00 -2.10 0.00 0.00 70.33 67.17 2kl4 n THR 60 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kl4 s SER 61 N 0.29 4.59 0.57 3.42 0.15 -0.22 -5.01 113.70 117.50 2kl4 s SER 61 Ca 0.68 -0.77 0.28 0.00 0.70 0.00 0.00 55.95 56.84 2kl4 s SER 61 Cb -0.65 -0.73 1.51 0.00 -1.71 0.00 0.00 66.02 64.44 2kl4 s SER 61 CO 0.50 -0.22 1.99 0.50 1.20 0.00 0.00 173.24 177.21 2kl4 h LYS 62 N 1.66 0.00 0.00 5.44 3.64 -2.03 -2.75 116.57 122.53 2kl4 h LYS 62 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2kl4 h LYS 62 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2kl4 h LYS 62 CO 0.63 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 178.53 2kl4 n HIS 63 N -3.94 0.00 -3.65 1.91 8.25 -1.26 -5.07 115.22 111.45 2kl4 n HIS 63 Ca 0.07 -0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 2kl4 n HIS 63 Cb 0.54 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.00 -0.21 -0.34 4.41 -3.43 -1.04 -2.14 115.29 112.54 2kl4 s HIS 64 Ca 0.00 -0.03 -0.10 0.00 -0.80 0.00 0.00 55.06 54.13 2kl4 s HIS 64 Cb 0.00 0.23 0.01 0.00 -1.43 0.00 0.00 32.58 31.39 2kl4 s HIS 64 CO 0.00 -0.65 0.18 -1.17 -2.00 0.00 0.00 174.74 171.09 2kl4 s LEU 65 N -2.55 4.38 0.12 5.38 2.96 -0.44 -1.05 118.68 127.48 2kl4 s LEU 65 Ca 0.00 -0.74 -0.31 0.00 -0.22 0.00 0.00 54.13 52.86 2kl4 s LEU 65 Cb 0.01 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.62 2kl4 s LEU 65 CO -0.09 -0.28 1.30 -0.94 -1.32 0.00 0.00 176.35 175.02 2kl4 s SER 66 N 1.58 6.94 -0.01 3.68 1.04 -1.26 -2.47 113.70 123.20 2kl4 s SER 66 Ca 0.03 2.24 0.02 0.00 0.48 0.00 0.00 55.95 58.72 2kl4 s SER 66 Cb -0.18 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.35 2kl4 s SER 66 CO 0.06 -0.55 -0.06 -0.69 0.98 0.00 0.00 173.24 172.99 2kl4 s VAL 67 N 0.81 0.47 -0.11 5.02 1.01 0.27 -4.03 120.40 123.85 2kl4 s VAL 67 Ca 0.60 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2kl4 s VAL 67 Cb -0.34 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 35.74 2kl4 s VAL 67 CO 0.32 0.15 0.95 -0.55 0.00 0.00 0.00 175.10 175.96 2kl4 s SER 68 N 0.02 -0.38 -0.04 3.32 0.15 -1.26 -1.32 113.70 114.19 2kl4 s SER 68 Ca 0.00 0.30 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 2kl4 s SER 68 Cb -0.04 0.34 -0.12 0.00 -1.71 0.00 0.00 66.02 64.49 2kl4 s SER 68 CO -0.00 -0.44 0.78 1.55 1.20 0.00 0.00 173.24 176.33 2kl4 h PRO 69 N 2.42 -0.42 0.00 5.44 0.13 -1.89 -3.29 132.00 134.39 2kl4 h PRO 69 Ca -0.20 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kl4 h PRO 69 Cb 1.18 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kl4 h PRO 69 CO 0.31 -0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.33 2kl4 n GLU 70 N -5.07 0.00 0.00 0.86 1.02 -1.26 -2.94 120.64 113.24 2kl4 n GLU 70 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2kl4 n GLU 70 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 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 -1.01 0.01 0.26 3.49 0.28 -1.26 -4.93 120.64 117.48 2kl4 n GLU 71 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 2kl4 n GLU 71 Cb 0.00 -0.51 0.68 0.00 1.43 0.00 0.00 31.44 33.04 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 0.84 -0.90 3.84 2.10 -1.98 0.16 117.51 121.59 2kl4 h ILE 72 Ca 0.00 -0.29 0.24 0.00 1.08 0.00 0.00 64.86 65.88 2kl4 h ILE 72 Cb 0.02 1.17 -0.13 0.00 -1.09 0.00 0.00 36.82 36.78 2kl4 h ILE 72 CO 0.00 0.08 0.34 1.23 -1.08 0.00 0.00 178.15 178.72 2kl4 h GLY 73 N 0.32 1.50 0.87 8.18 0.00 -1.92 0.76 103.07 112.78 2kl4 h GLY 73 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2kl4 h GLY 73 CO 0.01 -0.34 -0.64 1.39 0.00 0.00 0.00 176.54 176.97 2kl4 n ILE 74 N -5.13 0.07 -0.05 2.60 2.08 0.04 -2.21 119.36 116.77 2kl4 n ILE 74 Ca 0.23 -0.07 -0.09 0.00 0.56 0.00 0.00 62.75 63.38 2kl4 n ILE 74 Cb 0.70 0.27 -0.03 0.00 -0.75 0.00 0.00 39.64 39.83 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 -1.64 1.49 0.04 4.38 7.64 -0.75 -4.25 113.62 120.53 2kl4 n SER 75 Ca 0.05 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 60.13 2kl4 n SER 75 Cb 0.36 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.60 -0.20 0.00 1.43 4.15 -1.09 -3.32 115.11 115.49 2kl4 h GLN 76 Ca -0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2kl4 h GLN 76 Cb 0.82 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2kl4 h GLN 76 CO -0.07 -0.13 0.00 1.19 -1.93 0.00 0.00 178.83 177.89 2kl4 n PHE 77 N -4.67 0.00 -0.27 3.99 3.01 -1.06 -4.13 117.46 114.33 2kl4 n PHE 77 Ca -0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 2kl4 n PHE 77 Cb 0.08 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.68 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 3.15 0.68 -0.14 4.37 0.00 -1.54 -0.22 119.26 125.56 2kl4 h ALA 78 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 2kl4 h ALA 78 Cb 0.00 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kl4 h ALA 78 CO 0.00 -0.43 -0.69 -0.44 0.00 0.00 0.00 179.25 177.69 2kl4 h ASP 79 N 0.05 0.85 -0.70 0.00 3.32 -1.86 0.30 116.42 118.38 2kl4 h ASP 79 Ca 0.40 -0.63 0.02 0.00 0.02 0.00 0.00 57.03 56.85 2kl4 h ASP 79 Cb 0.68 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 2kl4 h ASP 79 CO -0.74 1.35 0.45 0.00 -1.72 0.00 0.00 179.24 178.58 2kl4 h ALA 80 N 0.53 0.91 -0.39 3.45 0.00 -1.66 0.71 119.26 122.82 2kl4 h ALA 80 Ca -0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2kl4 h ALA 80 Cb 1.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2kl4 h ALA 80 CO 0.14 0.24 -0.04 0.82 0.00 0.00 0.00 179.25 180.41 2kl4 h ILE 81 N 0.88 1.27 0.45 0.00 2.04 -0.78 -1.16 117.51 120.21 2kl4 h ILE 81 Ca 0.28 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2kl4 h ILE 81 Cb -0.01 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2kl4 h ILE 81 CO -0.10 0.36 -0.37 0.00 0.00 0.00 0.00 178.15 178.05 2kl4 h ALA 82 N 0.86 -0.84 0.00 1.87 0.00 -0.56 -1.87 119.26 118.72 2kl4 h ALA 82 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kl4 h ALA 82 Cb 0.54 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kl4 h ALA 82 CO 0.03 -1.00 -0.07 1.96 0.00 0.00 0.00 179.25 180.16 2kl4 h GLN 83 N -0.81 0.00 0.00 0.00 7.50 -0.91 0.20 115.11 121.09 2kl4 h GLN 83 Ca -0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2kl4 h GLN 83 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.23 2kl4 h GLN 83 CO -0.02 0.07 0.00 0.00 -1.50 0.00 0.00 178.83 177.39 2kl4 h ALA 84 N 1.93 1.00 0.00 3.87 0.00 -0.51 -3.46 119.26 122.09 2kl4 h ALA 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kl4 h ALA 84 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kl4 h ALA 84 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2kl4 n GLY 85 N -0.07 0.95 2.75 0.00 0.00 0.03 -5.05 105.19 103.81 2kl4 n GLY 85 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.59 1.04 -1.44 1.61 2.02 -0.77 -5.00 117.35 113.23 2kl4 s TYR 86 Ca 0.00 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2kl4 s TYR 86 Cb 0.00 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 2kl4 s TYR 86 CO 0.00 -0.57 0.60 0.43 -1.57 0.00 0.00 175.55 174.44 2kl4 n SER 87 N 5.05 0.46 0.00 2.29 7.64 -1.26 -2.77 113.62 125.03 2kl4 n SER 87 Ca -0.09 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2kl4 n SER 87 Cb 0.48 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2kl4 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl4 n ALA 88 N -0.17 0.00 -3.31 -0.43 0.00 -1.26 -4.92 120.51 110.42 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 0.98 0.00 -2.24 0.09 -4.75 114.28 108.36 2kl4 n THR 89 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2kl4 n THR 89 Cb 0.00 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.02 -0.19 -0.78 4.01 -1.26 -4.61 118.16 115.35 2kl4 n LYS 90 Ca 0.00 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2kl4 n LYS 90 Cb 0.00 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 2kl4 n LYS 90 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kl4 n GLY 91 N 1.49 0.97 3.86 0.72 0.00 -1.26 -5.03 105.19 105.94 2kl4 n GLY 91 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.01 0.36 0.99 0.05 -1.26 -4.95 118.68 113.88 2kl4 s LEU 92 Ca 0.00 -0.81 0.09 0.00 0.05 0.00 0.00 54.13 53.46 2kl4 s LEU 92 Cb 0.00 2.29 -0.07 0.00 -2.05 0.00 0.00 46.19 46.37 2kl4 s LEU 92 CO 0.00 -1.19 -0.07 0.72 -0.55 0.00 0.00 176.35 175.27 2kl4 s PHE 93 N -2.19 2.44 0.23 3.48 -0.12 -0.44 -0.73 117.98 120.65 2kl4 s PHE 93 Ca 0.20 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2kl4 s PHE 93 Cb -0.03 -1.49 -0.04 0.00 -0.63 0.00 0.00 43.02 40.83 2kl4 s PHE 93 CO 0.07 0.55 0.15 -0.98 -0.05 0.00 0.00 175.22 174.95 2kl4 s ARG 94 N -3.64 1.33 0.02 1.99 3.03 -1.26 -0.56 118.95 119.85 2kl4 s ARG 94 Ca 0.33 -1.72 0.03 0.00 2.03 0.00 0.00 55.73 56.40 2kl4 s ARG 94 Cb 0.04 0.18 -0.01 0.00 -1.03 0.00 0.00 34.95 34.13 2kl4 s ARG 94 CO 0.17 -0.42 -0.09 0.42 -1.13 0.00 0.00 175.30 174.25 2kl4 s ILE 95 N -3.98 0.71 0.72 4.99 1.09 -1.03 -4.83 121.20 118.87 2kl4 s ILE 95 Ca 0.39 -0.66 -0.11 0.00 -1.10 0.00 0.00 60.65 59.16 2kl4 s ILE 95 Cb 0.06 -0.65 0.03 0.00 -1.06 0.00 0.00 42.46 40.84 2kl4 s ILE 95 CO 0.15 0.00 1.08 -2.16 -0.10 0.00 0.00 174.94 173.91 2kl4 s PRO 96 N -0.74 2.62 0.37 2.79 0.04 -1.26 -1.32 135.00 137.50 2kl4 s PRO 96 Ca -0.00 1.12 0.26 0.00 0.04 0.00 0.00 61.00 62.42 2kl4 s PRO 96 Cb -0.06 -1.94 1.32 0.00 0.04 0.00 0.00 34.50 33.86 2kl4 s PRO 96 CO 0.00 -1.36 1.80 -1.49 0.04 0.00 0.00 177.00 176.00 2kl4 h TRP 97 N -0.77 0.00 0.00 0.56 -0.00 -1.79 -2.98 115.95 110.97 2kl4 h TRP 97 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.45 2kl4 h TRP 97 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.38 2kl4 h TRP 97 CO 0.59 0.00 0.00 -0.97 -0.00 0.00 0.00 178.44 178.06 2kl4 h ASN 98 N 0.00 0.00 -4.56 -3.49 -0.00 -1.92 -3.46 115.58 102.15 2kl4 h ASN 98 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 56.04 2kl4 h ASN 98 Cb 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 38.31 2kl4 h ASN 98 CO 0.00 0.00 -0.68 -1.81 -0.00 0.00 0.00 177.43 174.94 2kl4 s ASP 99 N -5.50 1.17 0.19 1.15 1.01 -1.13 -5.14 116.67 108.43 2kl4 s ASP 99 Ca -0.01 -1.11 -0.30 0.00 0.71 0.00 0.00 52.55 51.84 2kl4 s ASP 99 Cb 0.10 0.11 -0.09 0.00 1.01 0.00 0.00 42.92 44.06 2kl4 s ASP 99 CO 0.50 -0.53 1.31 -2.16 0.21 0.00 0.00 175.17 174.50 2kl4 s PRO 100 N -3.89 4.38 0.44 8.23 0.04 -1.26 -4.80 135.00 138.14 2kl4 s PRO 100 Ca 0.20 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 2kl4 s PRO 100 Cb 0.06 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2kl4 s PRO 100 CO 0.01 -0.27 1.16 0.14 0.04 0.00 0.00 177.00 178.08 2kl4 s VAL 101 N 0.24 3.13 -0.95 -0.36 -7.23 -1.26 -4.96 120.40 109.00 2kl4 s VAL 101 Ca 0.57 0.87 -0.20 0.00 -1.81 0.00 0.00 61.98 61.41 2kl4 s VAL 101 Cb -0.36 -3.45 0.10 0.00 0.56 0.00 0.00 36.38 33.22 2kl4 s VAL 101 CO 0.37 0.01 1.24 -2.28 -0.31 0.00 0.00 175.10 174.14 2kl4 s HIS 102 N -1.52 2.88 0.47 2.82 2.46 -1.26 -4.87 115.29 116.28 2kl4 s HIS 102 Ca 0.62 -1.15 0.14 0.00 0.47 0.00 0.00 55.06 55.13 2kl4 s HIS 102 Cb -0.29 -4.44 1.11 0.00 -0.13 0.00 0.00 32.58 28.84 2kl4 s HIS 102 CO 0.35 -1.67 2.07 1.88 -2.47 0.00 0.00 174.74 174.91 2kl4 h TYR 103 N 9.22 0.24 -0.25 3.88 -1.99 -1.97 -0.74 116.97 125.36 2kl4 h TYR 103 Ca 0.16 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.76 2kl4 h TYR 103 Cb 1.02 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 2kl4 h TYR 103 CO 1.20 0.14 -0.41 1.49 -0.00 0.00 0.00 178.16 180.58 2kl4 h GLU 104 N 0.25 0.59 0.06 4.88 4.57 -1.99 0.23 114.58 123.17 2kl4 h GLU 104 Ca 0.13 -0.31 -0.27 0.00 -1.18 0.00 0.00 59.36 57.74 2kl4 h GLU 104 Cb 0.22 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2kl4 h GLU 104 CO -0.03 0.90 -1.39 1.25 -1.18 0.00 0.00 179.01 178.56 2kl4 h LEU 105 N 0.49 0.18 0.00 1.64 7.12 -1.81 -3.10 115.31 119.83 2kl4 h LEU 105 Ca 0.04 -0.25 -0.08 0.00 0.13 0.00 0.00 57.88 57.72 2kl4 h LEU 105 Cb 0.93 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.98 2kl4 h LEU 105 CO 0.08 1.21 -0.63 0.17 -0.13 0.00 0.00 178.44 179.14 2kl4 h LEU 106 N 0.03 0.00 -0.09 2.25 8.10 -1.12 -3.11 115.31 121.36 2kl4 h LEU 106 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 2kl4 h LEU 106 Cb 1.94 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.15 2kl4 h LEU 106 CO 0.14 0.35 0.01 0.07 -4.11 0.00 0.00 178.44 174.89 2kl4 h LYS 107 N 0.00 0.16 -0.16 0.17 2.10 -1.06 -3.30 116.57 114.48 2kl4 h LYS 107 Ca -0.03 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2kl4 h LYS 107 Cb 1.29 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2kl4 h LYS 107 CO 0.04 0.40 0.08 -0.56 -2.00 0.00 0.00 179.45 177.41 2kl4 h GLN 108 N -0.10 0.21 0.00 0.07 3.07 -1.46 -0.09 115.11 116.81 2kl4 h GLN 108 Ca 0.03 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.54 2kl4 h GLN 108 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 2kl4 h GLN 108 CO 0.00 0.17 -1.15 0.00 0.09 0.00 0.00 178.83 177.94 2kl4 h MET 109 N 0.22 0.00 0.14 0.06 -0.00 -1.71 -3.24 114.93 110.39 2kl4 h MET 109 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.57 2kl4 h MET 109 Cb 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.64 2kl4 h MET 109 CO -0.01 0.74 -0.80 0.97 -0.00 0.00 0.00 176.91 177.82 2kl4 h ILE 110 N 0.00 1.51 -1.00 -0.10 -0.00 -1.13 -1.49 117.51 115.30 2kl4 h ILE 110 Ca -0.09 -2.52 0.08 0.00 -0.00 0.00 0.00 64.86 62.33 2kl4 h ILE 110 Cb 1.77 3.19 -0.07 0.00 -0.00 0.00 0.00 36.82 41.70 2kl4 h ILE 110 CO 0.10 0.71 0.64 -0.33 -0.00 0.00 0.00 178.15 179.28 2kl4 h GLU 111 N -0.37 1.08 0.17 2.19 5.08 -1.46 -2.33 114.58 118.95 2kl4 h GLU 111 Ca -0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2kl4 h GLU 111 Cb 1.63 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2kl4 h GLU 111 CO 0.15 0.71 -0.08 0.35 -1.00 0.00 0.00 179.01 179.14 2kl4 h PHE 112 N 1.11 -0.21 0.00 4.33 3.57 -1.61 -2.84 116.94 121.29 2kl4 h PHE 112 Ca 0.46 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 2kl4 h PHE 112 Cb 0.28 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2kl4 h PHE 112 CO -0.00 0.21 -0.04 -0.97 -2.23 0.00 0.00 178.31 175.28 2kl4 h ASN 113 N -0.81 0.00 0.28 0.41 -1.24 -1.02 0.12 115.58 113.32 2kl4 h ASN 113 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2kl4 h ASN 113 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2kl4 h ASN 113 CO 0.04 0.04 -0.13 0.40 -1.29 0.00 0.00 177.43 176.49 2kl4 h ILE 114 N 0.00 0.68 0.00 2.57 2.04 -1.50 -3.30 117.51 118.01 2kl4 h ILE 114 Ca -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2kl4 h ILE 114 Cb 0.29 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2kl4 h ILE 114 CO 0.01 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2kl4 n GLN 115 N -5.08 0.15 -0.16 2.37 10.64 -0.45 -2.81 117.38 122.04 2kl4 n GLN 115 Ca -0.09 0.36 -0.09 0.00 -1.83 0.00 0.00 57.00 55.35 2kl4 n GLN 115 Cb 0.26 -1.77 -0.00 0.00 -0.86 0.00 0.00 30.24 27.87 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 0.71 -0.02 2.61 3.58 -0.88 -3.22 116.42 119.21 2kl4 h ASP 116 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kl4 h ASP 116 Cb 0.36 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2kl4 h ASP 116 CO 0.00 0.78 0.00 0.29 -2.88 0.00 0.00 179.24 177.43 2kl4 n LYS 117 N -4.48 1.05 0.00 0.28 4.76 -1.12 -5.11 118.16 113.54 2kl4 n LYS 117 Ca 0.00 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2kl4 n LYS 117 Cb 0.23 -1.12 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