#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 0.15 0.00 1.61 7.64 -1.26 -4.92 113.62 116.83 2kl4 n SER 2 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2kl4 n SER 2 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 -1.65 0.00 -0.27 1.43 -0.00 -1.26 -4.36 115.22 109.10 2kl4 n HIS 3 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.84 2kl4 n HIS 3 Cb 0.24 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.45 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 0.41 -0.68 -1.40 0.00 -1.92 -0.85 114.93 110.49 2kl4 h MET 4 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 59.70 59.83 2kl4 h MET 4 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 31.60 31.47 2kl4 h MET 4 CO 0.00 0.27 0.47 1.05 0.00 0.00 0.00 176.91 178.70 2kl4 h GLU 5 N 0.42 0.27 0.02 1.72 4.11 -1.99 0.17 114.58 119.32 2kl4 h GLU 5 Ca 0.46 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.66 2kl4 h GLU 5 Cb 0.75 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2kl4 h GLU 5 CO -0.45 0.18 -0.96 0.28 0.07 0.00 0.00 179.01 178.13 2kl4 h VAL 6 N 0.28 1.52 -0.47 -1.06 2.07 -1.53 -3.36 116.25 113.71 2kl4 h VAL 6 Ca 0.33 -2.78 -0.29 0.00 0.82 0.00 0.00 66.70 64.78 2kl4 h VAL 6 Cb 0.90 2.59 -0.18 0.00 -1.52 0.00 0.00 31.29 33.08 2kl4 h VAL 6 CO -0.08 0.81 -0.17 0.49 0.02 0.00 0.00 177.57 178.64 2kl4 n PHE 7 N -3.60 1.53 0.06 1.57 3.72 -0.02 -4.69 117.46 116.03 2kl4 n PHE 7 Ca -0.04 -1.86 0.01 0.00 -0.05 0.00 0.00 57.45 55.51 2kl4 n PHE 7 Cb 0.86 -0.54 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 2kl4 n PHE 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 n ALA 8 N -1.03 2.21 0.05 4.37 0.00 0.40 -4.53 120.51 121.98 2kl4 n ALA 8 Ca 0.37 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.77 2kl4 n ALA 8 Cb 0.97 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2kl4 n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kl4 h GLU 9 N 0.00 0.00 0.01 0.00 5.08 -1.83 -3.37 114.58 114.46 2kl4 h GLU 9 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2kl4 h GLU 9 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kl4 h GLU 9 CO 0.00 0.23 -0.96 0.10 -1.00 0.00 0.00 179.01 177.37 2kl4 h TYR 10 N 0.00 0.62 -0.79 4.33 -0.00 -1.87 -3.10 116.97 116.16 2kl4 h TYR 10 Ca -0.12 -0.34 0.07 0.00 -0.00 0.00 0.00 58.73 58.34 2kl4 h TYR 10 Cb 1.44 -0.07 -0.05 0.00 -0.00 0.00 0.00 36.73 38.05 2kl4 h TYR 10 CO 0.00 1.17 0.52 -0.07 -0.00 0.00 0.00 178.16 179.78 2kl4 h LEU 11 N 0.23 0.74 -1.05 0.10 -0.00 -1.80 -1.24 115.31 112.30 2kl4 h LEU 11 Ca -0.08 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.93 2kl4 h LEU 11 Cb 1.61 -0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 42.03 2kl4 h LEU 11 CO 0.17 0.47 0.62 0.11 -0.00 0.00 0.00 178.44 179.81 2kl4 h LYS 12 N 0.84 0.92 0.00 1.13 1.57 -1.71 -0.50 116.57 118.82 2kl4 h LYS 12 Ca 0.35 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2kl4 h LYS 12 Cb 0.27 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2kl4 h LYS 12 CO -0.12 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 2kl4 n GLY 13 N -1.36 -1.06 3.50 3.86 0.00 -0.47 -4.55 105.19 105.10 2kl4 n GLY 13 Ca 0.19 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.74 4.30 -1.16 -0.61 1.01 -0.20 -4.89 121.20 116.91 2kl4 s ILE 14 Ca 0.16 0.03 0.13 0.00 0.00 0.00 0.00 60.65 60.97 2kl4 s ILE 14 Cb 0.14 -4.63 0.16 0.00 0.01 0.00 0.00 42.46 38.13 2kl4 s ILE 14 CO 0.34 -1.33 1.39 -0.67 0.00 0.00 0.00 174.94 174.68 2kl4 n ASP 15 N 7.74 0.00 -4.28 3.58 2.03 -1.26 -4.36 116.55 120.00 2kl4 n ASP 15 Ca -0.00 0.35 -0.44 0.00 0.52 0.00 0.00 54.79 55.21 2kl4 n ASP 15 Cb 0.47 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2kl4 n ASP 15 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kl4 s HIS 16 N -2.84 3.95 0.35 -0.67 3.76 -1.26 -4.93 115.29 113.65 2kl4 s HIS 16 Ca 0.09 -2.47 0.38 0.00 -0.15 0.00 0.00 55.06 52.90 2kl4 s HIS 16 Cb 0.09 -3.70 1.80 0.00 1.11 0.00 0.00 32.58 31.88 2kl4 s HIS 16 CO 0.23 -0.93 2.15 -1.00 -0.85 0.00 0.00 174.74 174.33 2kl4 h PRO 17 N 7.04 0.00 0.00 8.40 0.13 -1.98 -1.25 132.00 144.34 2kl4 h PRO 17 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2kl4 h PRO 17 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kl4 h PRO 17 CO 0.86 0.01 0.00 -0.44 -0.23 0.00 0.00 178.00 178.21 2kl4 h ASP 18 N 0.00 0.00 0.00 1.44 5.19 -1.96 -3.29 116.42 117.80 2kl4 h ASP 18 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kl4 h ASP 18 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2kl4 h ASP 18 CO 0.00 0.00 -0.59 1.41 -3.12 0.00 0.00 179.24 176.94 2kl4 n HIS 19 N -2.62 0.00 -0.11 4.55 8.25 -0.92 -4.73 115.22 119.65 2kl4 n HIS 19 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 2kl4 n HIS 19 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.26 0.00 -0.41 2.43 -1.33 -1.39 114.38 113.41 2kl4 h ARG 20 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kl4 h ARG 20 Cb 0.59 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kl4 h ARG 20 CO 0.00 -0.17 0.00 -0.25 -1.51 0.00 0.00 179.97 178.04 2kl4 n ASP 21 N -5.42 0.40 -0.09 -3.80 9.92 -1.24 -1.91 116.55 114.41 2kl4 n ASP 21 Ca 0.00 0.65 -0.17 0.00 -0.53 0.00 0.00 54.79 54.74 2kl4 n ASP 21 Cb 0.34 -0.72 -0.10 0.00 -0.64 0.00 0.00 41.12 40.00 2kl4 n ASP 21 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2kl4 h ARG 22 N 0.00 0.00 -0.89 -1.24 3.08 -1.57 -3.38 114.38 110.38 2kl4 h ARG 22 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.29 2kl4 h ARG 22 Cb 0.11 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.02 2kl4 h ARG 22 CO 0.00 0.80 0.33 1.15 -1.07 0.00 0.00 179.97 181.19 2kl4 h THR 23 N -1.00 0.39 0.00 2.04 2.02 -0.71 -0.85 112.91 114.79 2kl4 h THR 23 Ca -0.24 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 2kl4 h THR 23 Cb 1.09 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2kl4 h THR 23 CO -0.14 0.05 -0.49 1.05 0.37 0.00 0.00 175.52 176.36 2kl4 h GLU 24 N 0.30 0.00 -0.21 6.66 -0.00 -1.69 -2.60 114.58 117.04 2kl4 h GLU 24 Ca 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.91 2kl4 h GLU 24 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.88 2kl4 h GLU 24 CO -0.59 0.49 0.03 0.93 -0.00 0.00 0.00 179.01 179.87 2kl4 h GLU 25 N 0.00 0.34 -0.58 1.06 5.08 -1.33 -1.58 114.58 117.58 2kl4 h GLU 25 Ca -0.00 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2kl4 h GLU 25 Cb 0.97 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 2kl4 h GLU 25 CO 0.06 0.49 0.24 0.82 -1.00 0.00 0.00 179.01 179.62 2kl4 h ILE 26 N 0.14 0.83 0.18 3.13 2.04 -1.38 0.94 117.51 123.39 2kl4 h ILE 26 Ca 0.06 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2kl4 h ILE 26 Cb 0.31 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2kl4 h ILE 26 CO 0.00 0.08 -0.12 -0.07 0.00 0.00 0.00 178.15 178.04 2kl4 h LEU 27 N 0.44 -0.30 -0.78 1.44 3.38 -1.23 -0.39 115.31 117.87 2kl4 h LEU 27 Ca 0.28 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2kl4 h LEU 27 Cb 0.30 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2kl4 h LEU 27 CO -0.26 -0.19 0.39 0.77 0.09 0.00 0.00 178.44 179.24 2kl4 h SER 28 N -0.30 1.00 0.58 -0.43 4.64 -1.04 -3.03 113.55 114.99 2kl4 h SER 28 Ca -0.01 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2kl4 h SER 28 Cb 0.25 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2kl4 h SER 28 CO 0.01 0.84 -0.46 -0.25 -0.87 0.00 0.00 176.83 176.10 2kl4 h TRP 29 N 1.09 -1.26 -0.58 4.77 7.01 -0.66 -2.95 115.95 123.38 2kl4 h TRP 29 Ca 0.27 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.39 2kl4 h TRP 29 Cb 0.09 0.47 -0.09 0.00 -2.10 0.00 0.00 29.16 27.52 2kl4 h TRP 29 CO 0.01 -0.65 0.02 0.28 -2.79 0.00 0.00 178.44 175.31 2kl4 h VAL 30 N -1.02 0.55 0.00 2.65 2.07 -0.95 0.16 116.25 119.71 2kl4 h VAL 30 Ca -0.07 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2kl4 h VAL 30 Cb 0.86 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2kl4 h VAL 30 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2kl4 h ALA 31 N 1.51 1.00 0.00 1.67 0.00 -1.50 0.23 119.26 122.17 2kl4 h ALA 31 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2kl4 h ALA 31 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2kl4 h ALA 31 CO -0.47 0.00 -0.77 0.00 0.00 0.00 0.00 179.25 178.01 2kl4 h ALA 32 N 2.12 0.12 -0.27 0.00 0.00 -0.61 -3.36 119.26 117.27 2kl4 h ALA 32 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.05 2kl4 h ALA 32 Cb 0.28 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2kl4 h ALA 32 CO 0.00 0.52 -0.17 1.15 0.00 0.00 0.00 179.25 180.75 2kl4 h THR 33 N -1.00 1.24 -2.10 0.00 2.02 -0.73 -3.31 112.91 109.03 2kl4 h THR 33 Ca -0.16 -1.09 -0.58 0.00 0.77 0.00 0.00 66.41 65.35 2kl4 h THR 33 Cb 0.86 1.23 -0.41 0.00 -1.74 0.00 0.00 68.15 68.09 2kl4 h THR 33 CO -0.10 0.35 -0.84 0.49 0.37 0.00 0.00 175.52 175.80 2kl4 n PHE 34 N -4.18 1.80 1.01 3.16 3.72 0.05 -5.00 117.46 118.02 2kl4 n PHE 34 Ca 0.00 -3.88 0.11 0.00 -0.05 0.00 0.00 57.45 53.63 2kl4 n PHE 34 Cb 0.35 -0.46 0.55 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.06 0.27 0.11 -1.08 -0.04 -1.25 -1.70 135.00 132.38 2kl4 n PRO 35 Ca 0.26 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2kl4 n PRO 35 Cb 0.47 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.89 2kl4 n PRO 35 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl4 n ASN 36 N -1.32 0.69 -4.74 3.54 3.02 -1.26 -4.81 115.26 110.38 2kl4 n ASN 36 Ca 0.10 0.63 -0.41 0.00 -0.03 0.00 0.00 54.58 54.86 2kl4 n ASN 36 Cb 0.19 -0.79 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 2kl4 n ASN 36 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kl4 s LEU 37 N -4.42 4.48 0.09 3.41 1.43 -0.69 -3.77 118.68 119.22 2kl4 s LEU 37 Ca 0.07 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.29 2kl4 s LEU 37 Cb 0.11 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2kl4 s LEU 37 CO 0.46 -0.24 -0.05 -1.61 0.23 0.00 0.00 176.35 175.14 2kl4 s GLU 38 N -0.20 2.33 0.69 1.70 0.41 -0.07 -4.89 118.70 118.66 2kl4 s GLU 38 Ca 0.50 -0.93 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 2kl4 s GLU 38 Cb -0.29 -2.42 0.01 0.00 -1.78 0.00 0.00 34.13 29.65 2kl4 s GLU 38 CO 0.34 0.53 1.06 -1.25 -0.49 0.00 0.00 175.26 175.45 2kl4 s PRO 39 N -2.23 2.95 -0.29 0.39 0.04 -1.26 -0.09 135.00 134.51 2kl4 s PRO 39 Ca 0.23 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 2kl4 s PRO 39 Cb -0.11 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.60 2kl4 s PRO 39 CO 0.16 -1.09 0.56 -1.14 0.04 0.00 0.00 177.00 175.53 2kl4 s GLN 40 N -5.04 0.52 -0.77 4.56 0.74 -0.22 -4.63 119.66 114.81 2kl4 s GLN 40 Ca 0.58 0.99 -0.25 0.00 0.05 0.00 0.00 55.36 56.73 2kl4 s GLN 40 Cb -0.14 0.41 -0.02 0.00 1.10 0.00 0.00 33.01 34.37 2kl4 s GLN 40 CO 0.55 -0.55 1.78 1.41 -0.55 0.00 0.00 175.29 177.93 2kl4 s MET 41 N 2.80 2.76 0.09 1.67 -2.45 -1.26 -1.93 119.30 120.98 2kl4 s MET 41 Ca 0.15 0.01 0.09 0.00 -1.25 0.00 0.00 55.69 54.69 2kl4 s MET 41 Cb -0.15 -4.71 -0.04 0.00 1.25 0.00 0.00 34.83 31.19 2kl4 s MET 41 CO -0.19 -2.85 -0.23 0.21 1.05 0.00 0.00 175.02 173.01 2kl4 s LYS 42 N 6.67 1.72 -1.37 4.11 2.20 -0.99 -4.66 119.74 127.42 2kl4 s LYS 42 Ca 0.62 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2kl4 s LYS 42 Cb -0.09 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 2kl4 s LYS 42 CO 0.09 0.49 0.00 0.91 -0.36 0.00 0.00 175.35 176.48 2kl4 n TRP 43 N 1.26 -0.67 -1.32 4.03 7.02 -1.26 -0.93 117.44 125.56 2kl4 n TRP 43 Ca -0.17 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.20 2kl4 n TRP 43 Cb 0.52 -2.75 -0.05 0.00 -2.42 0.00 0.00 31.31 26.61 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 -0.99 -5.42 -4.37 -0.99 5.15 -1.26 -4.98 115.26 102.40 2kl4 n ASN 44 Ca -0.15 0.27 -0.28 0.00 -0.60 0.00 0.00 54.58 53.83 2kl4 n ASN 44 Cb 0.51 -3.89 -0.13 0.00 -0.53 0.00 0.00 39.78 35.74 2kl4 n ASN 44 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2kl4 s THR 45 N -2.05 2.12 -0.35 -0.44 -4.23 -0.11 -5.09 115.64 105.49 2kl4 s THR 45 Ca 0.00 -1.72 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 2kl4 s THR 45 Cb 0.00 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.95 2kl4 s THR 45 CO 0.00 0.04 1.30 -2.16 -0.54 0.00 0.00 174.62 173.27 2kl4 s PRO 46 N -2.05 3.80 0.44 3.99 0.04 -1.25 -2.35 135.00 137.62 2kl4 s PRO 46 Ca 0.12 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.29 2kl4 s PRO 46 Cb -0.10 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 2kl4 s PRO 46 CO 0.06 -1.27 0.03 0.00 0.04 0.00 0.00 177.00 175.86 2kl4 s MET 47 N 4.40 2.06 -0.01 4.56 0.23 -0.81 -3.23 119.30 126.50 2kl4 s MET 47 Ca 0.56 -2.17 0.03 0.00 -1.03 0.00 0.00 55.69 53.08 2kl4 s MET 47 Cb -0.14 -1.65 -0.01 0.00 -1.53 0.00 0.00 34.83 31.50 2kl4 s MET 47 CO 0.26 -0.16 -0.10 -0.06 -2.03 0.00 0.00 175.02 172.93 2kl4 s PHE 48 N -2.75 0.90 -0.21 3.16 0.40 -1.13 -1.06 117.98 117.29 2kl4 s PHE 48 Ca 0.27 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.34 2kl4 s PHE 48 Cb 0.07 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2kl4 s PHE 48 CO 0.14 -0.02 0.10 -1.12 0.70 0.00 0.00 175.22 175.02 2kl4 s SER 49 N -0.20 5.81 -0.99 1.36 0.01 0.86 -3.90 113.70 116.66 2kl4 s SER 49 Ca 0.03 0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.14 2kl4 s SER 49 Cb -0.04 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2kl4 s SER 49 CO -0.00 0.13 1.87 0.21 0.41 0.00 0.00 173.24 175.86 2kl4 s ASN 50 N 0.67 5.35 0.00 2.44 2.47 -1.26 -0.89 114.94 123.72 2kl4 s ASN 50 Ca 0.05 -1.03 0.00 0.00 0.42 0.00 0.00 52.86 52.30 2kl4 s ASN 50 Cb -0.13 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 2kl4 s ASN 50 CO 0.01 -2.60 0.00 0.00 -3.72 0.00 0.00 177.10 170.79 2kl4 n GLN 51 N 8.73 0.00 0.00 0.43 6.02 -1.25 -2.30 117.38 129.01 2kl4 n GLN 51 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2kl4 n GLN 51 Cb 0.47 -3.81 0.00 0.00 1.02 0.00 0.00 30.24 27.93 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 -1.87 0.00 0.00 1.08 0.00 -1.26 -5.07 105.19 98.07 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 -1.24 2.61 -1.04 -0.97 -4.99 114.28 108.65 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 -1.77 0.09 0.00 -1.82 0.00 0.00 70.33 66.83 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 -1.75 0.00 0.53 -1.42 7.35 -1.26 -4.02 117.46 116.90 2kl4 n PHE 54 Ca 0.00 -0.70 0.02 0.00 -0.76 0.00 0.00 57.45 56.01 2kl4 n PHE 54 Cb 0.00 -0.12 0.14 0.00 0.35 0.00 0.00 39.48 39.85 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 -0.99 0.00 -3.65 -2.13 5.41 -1.26 -4.52 119.36 112.22 2kl4 n ILE 55 Ca 0.11 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 2kl4 n ILE 55 Cb 0.63 -0.64 -0.08 0.00 -0.71 0.00 0.00 39.64 38.84 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 -0.08 1.39 2.07 -1.11 -4.28 121.20 117.20 2kl4 s ILE 56 Ca 0.07 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 58.98 2kl4 s ILE 56 Cb 0.03 -0.85 0.07 0.00 0.13 0.00 0.00 42.46 41.84 2kl4 s ILE 56 CO 0.05 -0.02 0.67 -0.83 -1.91 0.00 0.00 174.94 172.90 2kl4 s GLY 57 N -0.08 -0.55 0.27 1.50 0.00 -1.14 -2.86 107.32 104.45 2kl4 s GLY 57 Ca -0.03 1.37 -0.09 0.00 0.00 0.00 0.00 44.72 45.97 2kl4 s GLY 57 CO 0.03 1.03 0.44 -0.11 0.00 0.00 0.00 173.10 174.49 2kl4 s PHE 58 N -0.97 0.59 0.16 1.90 -0.12 -1.20 -3.43 117.98 114.91 2kl4 s PHE 58 Ca -0.10 -0.92 -0.17 0.00 -0.05 0.00 0.00 56.93 55.69 2kl4 s PHE 58 Cb -0.01 0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2kl4 s PHE 58 CO 0.08 -1.00 0.47 -1.12 -0.05 0.00 0.00 175.22 173.61 2kl4 s SER 59 N -3.08 -0.28 0.72 1.98 0.01 -1.17 -3.83 113.70 108.04 2kl4 s SER 59 Ca 0.26 -0.36 -0.16 0.00 1.31 0.00 0.00 55.95 57.01 2kl4 s SER 59 Cb 0.00 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.79 2kl4 s SER 59 CO 0.12 -0.95 1.24 0.42 0.41 0.00 0.00 173.24 174.48 2kl4 s THR 60 N -3.83 2.13 0.29 1.44 -4.23 -1.26 -2.60 115.64 107.58 2kl4 s THR 60 Ca 0.06 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 2kl4 s THR 60 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 2kl4 s THR 60 CO -0.08 -0.03 0.10 -0.55 -0.54 0.00 0.00 174.62 173.52 2kl4 s SER 61 N -1.80 1.61 0.19 3.99 0.15 0.47 -4.85 113.70 113.46 2kl4 s SER 61 Ca 0.77 -1.43 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 2kl4 s SER 61 Cb -0.32 0.16 0.19 0.00 -1.71 0.00 0.00 66.02 64.34 2kl4 s SER 61 CO 0.44 -0.74 1.65 0.50 1.20 0.00 0.00 173.24 176.29 2kl4 h LYS 62 N 2.26 0.02 0.00 5.44 3.64 -2.01 -3.21 116.57 122.71 2kl4 h LYS 62 Ca -0.38 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2kl4 h LYS 62 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2kl4 h LYS 62 CO 0.61 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 178.53 2kl4 n HIS 63 N -5.36 0.00 -4.07 1.91 8.25 -1.26 -5.06 115.22 109.64 2kl4 n HIS 63 Ca 0.06 -0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 2kl4 n HIS 63 Cb 0.29 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.41 0.65 0.02 4.41 -3.43 -1.21 -2.20 115.29 113.11 2kl4 s HIS 64 Ca 0.00 -0.96 -0.00 0.00 -0.80 0.00 0.00 55.06 53.30 2kl4 s HIS 64 Cb 0.00 -0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.01 2kl4 s HIS 64 CO 0.00 -0.84 0.13 -1.17 -2.00 0.00 0.00 174.74 170.85 2kl4 s LEU 65 N -3.06 4.07 -0.13 5.38 2.96 -0.36 -0.40 118.68 127.15 2kl4 s LEU 65 Ca 0.28 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 2kl4 s LEU 65 Cb 0.02 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.23 2kl4 s LEU 65 CO 0.09 0.24 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.72 2kl4 s SER 66 N -2.01 2.88 0.00 3.68 0.01 -1.07 -2.04 113.70 115.15 2kl4 s SER 66 Ca 0.27 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 57.00 2kl4 s SER 66 Cb -0.12 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 2kl4 s SER 66 CO 0.19 0.06 -0.05 -0.69 0.41 0.00 0.00 173.24 173.15 2kl4 s VAL 67 N 0.85 0.41 -0.12 3.43 1.01 0.36 -3.05 120.40 123.29 2kl4 s VAL 67 Ca -0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2kl4 s VAL 67 Cb -0.15 -0.37 0.12 0.00 0.00 0.00 0.00 36.38 35.97 2kl4 s VAL 67 CO -0.01 0.03 0.95 -0.55 0.00 0.00 0.00 175.10 175.52 2kl4 s SER 68 N -0.34 -0.39 -0.10 3.32 0.15 -1.22 -0.80 113.70 114.31 2kl4 s SER 68 Ca 0.00 0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.88 2kl4 s SER 68 Cb -0.03 0.34 -0.10 0.00 -1.71 0.00 0.00 66.02 64.52 2kl4 s SER 68 CO -0.00 -0.42 0.36 1.55 1.20 0.00 0.00 173.24 175.93 2kl4 h PRO 69 N 2.49 -0.06 0.00 5.44 0.13 -1.87 -3.03 132.00 135.10 2kl4 h PRO 69 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2kl4 h PRO 69 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kl4 h PRO 69 CO 0.32 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 2kl4 n GLU 70 N -4.77 0.00 0.00 0.86 1.02 -1.26 -2.73 120.64 113.76 2kl4 n GLU 70 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2kl4 n GLU 70 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.40 0.00 0.03 3.49 0.28 -1.26 -4.82 120.64 117.96 2kl4 n GLU 71 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 2kl4 n GLU 71 Cb 0.00 -0.42 0.42 0.00 1.43 0.00 0.00 31.44 32.87 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 1.12 -0.23 3.84 2.10 -1.98 0.60 117.51 122.97 2kl4 h ILE 72 Ca 0.00 -0.33 0.07 0.00 1.08 0.00 0.00 64.86 65.68 2kl4 h ILE 72 Cb 0.00 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 36.40 2kl4 h ILE 72 CO 0.00 0.13 0.53 1.23 -1.08 0.00 0.00 178.15 178.96 2kl4 h GLY 73 N 0.58 0.00 -0.73 8.18 0.00 -1.92 0.84 103.07 110.01 2kl4 h GLY 73 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2kl4 h GLY 73 CO -0.02 0.00 -0.09 1.39 0.00 0.00 0.00 176.54 177.83 2kl4 n ILE 74 N -3.15 0.00 -0.01 2.60 2.08 0.19 -3.79 119.36 117.30 2kl4 n ILE 74 Ca 0.04 -0.46 -0.02 0.00 0.56 0.00 0.00 62.75 62.86 2kl4 n ILE 74 Cb 0.63 1.19 -0.01 0.00 -0.75 0.00 0.00 39.64 40.71 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 0.28 0.30 -0.06 4.38 7.64 -0.32 -4.51 113.62 121.34 2kl4 n SER 75 Ca 0.06 0.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 2kl4 n SER 75 Cb 0.26 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.09 0.00 0.00 1.43 5.75 -1.17 -3.32 115.11 117.71 2kl4 h GLN 76 Ca -0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2kl4 h GLN 76 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 2kl4 h GLN 76 CO -0.03 0.17 0.00 1.19 -2.65 0.00 0.00 178.83 177.51 2kl4 n PHE 77 N -4.68 0.00 -0.36 3.99 3.01 -1.22 -3.74 117.46 114.46 2kl4 n PHE 77 Ca -0.06 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.42 2kl4 n PHE 77 Cb 0.18 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.82 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 3.53 1.35 -0.11 4.37 0.00 -1.66 -1.71 119.26 125.02 2kl4 h ALA 78 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2kl4 h ALA 78 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2kl4 h ALA 78 CO 0.00 0.45 -0.68 -0.44 0.00 0.00 0.00 179.25 178.58 2kl4 h ASP 79 N 1.17 0.56 -0.16 0.00 5.19 -1.82 0.19 116.42 121.55 2kl4 h ASP 79 Ca 0.42 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2kl4 h ASP 79 Cb 0.12 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2kl4 h ASP 79 CO -0.16 1.08 0.09 0.00 -3.12 0.00 0.00 179.24 177.13 2kl4 h ALA 80 N 0.91 0.21 -0.57 3.45 0.00 -1.78 -2.15 119.26 119.33 2kl4 h ALA 80 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kl4 h ALA 80 Cb 1.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2kl4 h ALA 80 CO 0.12 -0.27 0.32 0.82 0.00 0.00 0.00 179.25 180.24 2kl4 h ILE 81 N 0.17 1.00 0.36 0.00 2.04 -0.79 -1.26 117.51 119.03 2kl4 h ILE 81 Ca 0.06 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2kl4 h ILE 81 Cb 0.05 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2kl4 h ILE 81 CO -0.01 0.11 -0.31 0.00 0.00 0.00 0.00 178.15 177.94 2kl4 h ALA 82 N 1.28 -0.69 0.00 1.87 0.00 -0.50 -2.09 119.26 119.14 2kl4 h ALA 82 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kl4 h ALA 82 Cb 0.10 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kl4 h ALA 82 CO -0.14 -0.92 0.00 1.96 0.00 0.00 0.00 179.25 180.15 2kl4 h GLN 83 N -0.68 0.00 0.00 0.00 4.20 -1.26 -0.84 115.11 116.53 2kl4 h GLN 83 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2kl4 h GLN 83 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2kl4 h GLN 83 CO -0.03 0.00 -0.13 0.00 -0.67 0.00 0.00 178.83 178.00 2kl4 h ALA 84 N 2.17 0.92 0.00 3.87 0.00 -0.55 -3.48 119.26 122.18 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 1.26 1.36 3.02 0.00 0.00 -0.32 -5.09 105.19 105.42 2kl4 n GLY 85 Ca 0.05 0.00 -0.31 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 -2.00 3.73 -0.12 1.61 2.02 -1.08 -5.05 117.35 116.46 2kl4 s TYR 86 Ca 0.00 -3.00 -0.32 0.00 -0.37 0.00 0.00 57.07 53.37 2kl4 s TYR 86 Cb 0.00 -2.93 -0.10 0.00 -0.40 0.00 0.00 41.96 38.53 2kl4 s TYR 86 CO 0.00 -0.94 2.00 0.43 -1.57 0.00 0.00 175.55 175.47 2kl4 n SER 87 N 4.20 3.42 -1.64 2.29 7.64 -1.26 -4.52 113.62 123.75 2kl4 n SER 87 Ca 0.04 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.67 2kl4 n SER 87 Cb 0.41 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 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 8.17 0.00 -3.48 -0.43 0.00 -1.26 -4.43 120.51 119.08 2kl4 n ALA 88 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2kl4 n ALA 88 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.80 0.00 0.11 0.00 -2.24 0.19 -4.98 114.28 106.57 2kl4 n THR 89 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 2kl4 n THR 89 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.00 0.00 -0.78 6.56 -2.01 -3.40 116.57 116.95 2kl4 h LYS 90 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kl4 h LYS 90 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2kl4 h LYS 90 CO 0.00 0.03 0.00 0.41 -2.06 0.00 0.00 179.45 177.83 2kl4 n GLY 91 N 1.19 -0.19 3.73 3.86 0.00 -1.26 -4.82 105.19 107.69 2kl4 n GLY 91 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.26 -0.00 0.52 0.99 0.05 -1.26 -4.81 118.68 113.91 2kl4 s LEU 92 Ca 0.00 -0.73 0.01 0.00 0.05 0.00 0.00 54.13 53.46 2kl4 s LEU 92 Cb 0.00 2.29 -0.00 0.00 -2.05 0.00 0.00 46.19 46.43 2kl4 s LEU 92 CO 0.00 -1.24 0.05 0.72 -0.55 0.00 0.00 176.35 175.33 2kl4 s PHE 93 N -3.96 1.77 0.21 3.48 -0.71 0.02 -0.64 117.98 118.16 2kl4 s PHE 93 Ca 0.16 -0.97 -0.01 0.00 -1.04 0.00 0.00 56.93 55.07 2kl4 s PHE 93 Cb -0.03 -1.64 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 2kl4 s PHE 93 CO 0.07 0.12 0.16 -0.98 -1.34 0.00 0.00 175.22 173.25 2kl4 s ARG 94 N -3.95 1.26 0.01 1.99 1.70 -1.26 -0.49 118.95 118.21 2kl4 s ARG 94 Ca 0.07 -1.65 0.02 0.00 -0.47 0.00 0.00 55.73 53.70 2kl4 s ARG 94 Cb 0.00 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 2kl4 s ARG 94 CO 0.04 -0.42 -0.06 0.42 -1.08 0.00 0.00 175.30 174.20 2kl4 s ILE 95 N -4.09 0.45 0.82 4.99 1.09 -0.86 -4.86 121.20 118.73 2kl4 s ILE 95 Ca 0.38 -0.47 -0.10 0.00 -1.10 0.00 0.00 60.65 59.36 2kl4 s ILE 95 Cb 0.06 -0.42 0.09 0.00 -1.06 0.00 0.00 42.46 41.12 2kl4 s ILE 95 CO 0.13 -0.02 1.10 -2.16 -0.10 0.00 0.00 174.94 173.89 2kl4 s PRO 96 N -0.54 1.86 0.43 2.79 0.04 -1.26 -1.22 135.00 137.11 2kl4 s PRO 96 Ca -0.01 1.23 0.24 0.00 0.04 0.00 0.00 61.00 62.49 2kl4 s PRO 96 Cb -0.04 -1.85 0.79 0.00 0.04 0.00 0.00 34.50 33.44 2kl4 s PRO 96 CO -0.00 -1.94 1.77 -1.49 0.04 0.00 0.00 177.00 175.38 2kl4 h TRP 97 N -1.35 0.00 0.15 0.56 -0.00 -1.78 -3.31 115.95 110.22 2kl4 h TRP 97 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.44 2kl4 h TRP 97 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 2kl4 h TRP 97 CO 0.55 0.21 -0.07 -0.97 -0.00 0.00 0.00 178.44 178.16 2kl4 h ASN 98 N 0.00 -0.17 -4.31 -3.49 -1.24 -1.93 -3.48 115.58 100.96 2kl4 h ASN 98 Ca -0.00 0.01 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 2kl4 h ASN 98 Cb 0.84 0.04 0.11 0.00 0.73 0.00 0.00 38.32 40.04 2kl4 h ASN 98 CO 0.03 -0.09 0.34 -0.62 -1.29 0.00 0.00 177.43 175.79 2kl4 s ASP 99 N -2.72 4.41 0.41 1.15 2.15 -1.25 -4.98 116.67 115.84 2kl4 s ASP 99 Ca -0.03 1.23 -0.24 0.00 0.43 0.00 0.00 52.55 53.94 2kl4 s ASP 99 Cb 0.00 -1.93 -0.08 0.00 -0.30 0.00 0.00 42.92 40.60 2kl4 s ASP 99 CO 0.09 -2.01 1.11 -2.16 -0.17 0.00 0.00 175.17 172.02 2kl4 s PRO 100 N -5.20 4.06 -0.04 4.34 0.04 -1.26 -4.73 135.00 132.20 2kl4 s PRO 100 Ca 0.61 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2kl4 s PRO 100 Cb -0.14 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 2kl4 s PRO 100 CO 0.54 -0.27 1.15 0.08 0.04 0.00 0.00 177.00 178.53 2kl4 s VAL 101 N -1.56 4.37 -1.36 -0.36 1.01 -1.26 -4.94 120.40 116.30 2kl4 s VAL 101 Ca 0.59 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 64.09 2kl4 s VAL 101 Cb -0.26 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2kl4 s VAL 101 CO 0.32 0.03 1.92 1.57 0.00 0.00 0.00 175.10 178.94 2kl4 n HIS 102 N 4.88 4.22 -0.03 5.22 -0.00 -1.26 -4.79 115.22 123.47 2kl4 n HIS 102 Ca 0.10 -2.90 0.12 0.00 0.46 0.00 0.00 57.72 55.49 2kl4 n HIS 102 Cb 0.47 -2.59 0.53 0.00 -0.12 0.00 0.00 29.99 28.27 2kl4 n HIS 102 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2kl4 h TYR 103 N 6.94 0.36 -0.14 1.57 -1.99 -1.99 -1.55 116.97 120.16 2kl4 h TYR 103 Ca 0.49 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.23 2kl4 h TYR 103 Cb 0.78 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 2kl4 h TYR 103 CO 1.43 0.18 0.09 1.49 -0.00 0.00 0.00 178.16 181.35 2kl4 h GLU 104 N 0.34 0.19 -0.29 4.88 4.57 -1.98 0.80 114.58 123.09 2kl4 h GLU 104 Ca 0.23 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.28 2kl4 h GLU 104 Cb 0.47 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2kl4 h GLU 104 CO -0.06 0.15 -0.28 1.25 -1.18 0.00 0.00 179.01 178.89 2kl4 h LEU 105 N 0.18 0.75 -0.89 1.64 6.46 -1.70 0.13 115.31 121.88 2kl4 h LEU 105 Ca 0.05 -0.47 -0.12 0.00 -0.12 0.00 0.00 57.88 57.23 2kl4 h LEU 105 Cb 0.00 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2kl4 h LEU 105 CO -0.01 1.07 -0.52 0.17 -0.62 0.00 0.00 178.44 178.53 2kl4 h LEU 106 N 0.45 0.09 0.05 2.25 8.10 -1.52 -2.65 115.31 122.09 2kl4 h LEU 106 Ca 0.05 -0.05 0.01 0.00 0.11 0.00 0.00 57.88 58.00 2kl4 h LEU 106 Cb 0.85 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 41.03 2kl4 h LEU 106 CO 0.07 0.60 -0.08 0.50 -4.11 0.00 0.00 178.44 175.41 2kl4 h LYS 107 N 0.07 -0.16 -0.44 0.17 3.64 -0.22 -2.57 116.57 117.05 2kl4 h LYS 107 Ca -0.00 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2kl4 h LYS 107 Cb 0.95 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 2kl4 h LYS 107 CO 0.07 -0.11 -0.07 1.96 -2.27 0.00 0.00 179.45 179.04 2kl4 h GLN 108 N -0.17 0.04 -0.10 1.90 4.20 -0.41 -1.68 115.11 118.89 2kl4 h GLN 108 Ca 0.02 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2kl4 h GLN 108 Cb 0.18 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2kl4 h GLN 108 CO -0.05 0.03 -0.08 0.00 -0.67 0.00 0.00 178.83 178.06 2kl4 h MET 109 N 0.04 0.22 -0.43 1.46 -0.00 -1.54 -2.79 114.93 111.89 2kl4 h MET 109 Ca 0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 2kl4 h MET 109 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.91 2kl4 h MET 109 CO -0.42 0.63 0.27 0.97 -0.00 0.00 0.00 176.91 178.36 2kl4 h ILE 110 N -0.17 1.13 -0.33 -0.10 -0.00 -1.10 -0.88 117.51 116.05 2kl4 h ILE 110 Ca 0.02 -0.27 0.03 0.00 -0.00 0.00 0.00 64.86 64.64 2kl4 h ILE 110 Cb 0.58 0.53 -0.03 0.00 -0.00 0.00 0.00 36.82 37.89 2kl4 h ILE 110 CO 0.02 0.13 0.13 -0.33 -0.00 0.00 0.00 178.15 178.10 2kl4 h GLU 111 N 0.58 0.28 -0.37 2.19 4.39 -1.39 -1.83 114.58 118.43 2kl4 h GLU 111 Ca 0.16 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2kl4 h GLU 111 Cb -0.03 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2kl4 h GLU 111 CO -0.03 0.18 0.23 0.35 -1.16 0.00 0.00 179.01 178.58 2kl4 h PHE 112 N 0.29 0.48 0.00 4.33 3.57 -1.19 -2.57 116.94 121.84 2kl4 h PHE 112 Ca 0.15 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2kl4 h PHE 112 Cb 0.10 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2kl4 h PHE 112 CO -0.12 0.33 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.35 2kl4 h ASN 113 N 0.49 0.00 0.28 0.41 4.21 -0.51 -0.17 115.58 120.29 2kl4 h ASN 113 Ca 0.13 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 2kl4 h ASN 113 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 2kl4 h ASN 113 CO -0.03 0.02 -0.14 0.40 -1.29 0.00 0.00 177.43 176.40 2kl4 h ILE 114 N 0.00 0.52 0.00 2.81 2.04 -0.98 -3.34 117.51 118.56 2kl4 h ILE 114 Ca -0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2kl4 h ILE 114 Cb 0.22 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2kl4 h ILE 114 CO 0.00 0.12 0.00 0.06 0.00 0.00 0.00 178.15 178.34 2kl4 h GLN 115 N -0.95 0.00 0.00 2.37 3.07 -0.90 -1.92 115.11 116.78 2kl4 h GLN 115 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2kl4 h GLN 115 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2kl4 h GLN 115 CO 0.06 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.51 2kl4 n ASP 116 N -2.33 0.09 -0.62 0.06 2.03 -0.18 -3.37 116.55 112.22 2kl4 n ASP 116 Ca 0.01 0.51 0.08 0.00 0.52 0.00 0.00 54.79 55.91 2kl4 n ASP 116 Cb 0.20 -0.54 0.21 0.00 -0.72 0.00 0.00 41.12 40.27 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 -1.59 2.19 0.00 -0.67 4.76 -0.72 -5.09 118.16 117.04 2kl4 n LYS 117 Ca 0.05 -2.81 0.02 0.00 -2.87 0.00 0.00 58.31 52.70 2kl4 n LYS 117 Cb 0.26 -1.72 0.12 0.00 -1.84 0.00 0.00 35.03 31.85 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42