#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl4 h SER 2 N 0.00 0.00 0.00 1.61 0.87 -2.04 -3.46 113.55 110.52 2kl4 h SER 2 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kl4 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kl4 h SER 2 CO 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.42 2kl4 n HIS 3 N -3.39 0.00 -0.23 2.24 -0.00 -1.26 -4.52 115.22 108.05 2kl4 n HIS 3 Ca -0.01 0.00 0.21 0.00 -0.00 0.00 0.00 57.72 57.92 2kl4 n HIS 3 Cb 0.30 0.00 0.55 0.00 -0.00 0.00 0.00 29.99 30.85 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 0.32 -0.13 -1.40 0.00 -1.98 -1.80 114.93 109.93 2kl4 h MET 4 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 59.70 59.72 2kl4 h MET 4 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 31.60 31.52 2kl4 h MET 4 CO 0.00 0.21 0.18 0.93 0.00 0.00 0.00 176.91 178.23 2kl4 h GLU 5 N 0.33 0.00 0.00 1.72 5.08 -2.00 0.44 114.58 120.14 2kl4 h GLU 5 Ca 0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.69 2kl4 h GLU 5 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2kl4 h GLU 5 CO -0.15 0.00 -0.89 0.28 -1.00 0.00 0.00 179.01 177.25 2kl4 h VAL 6 N 0.00 0.82 -0.00 3.13 2.07 -1.72 -3.37 116.25 117.19 2kl4 h VAL 6 Ca 0.06 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2kl4 h VAL 6 Cb 0.42 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2kl4 h VAL 6 CO -0.00 0.47 -0.15 0.49 0.02 0.00 0.00 177.57 178.39 2kl4 n PHE 7 N -3.12 0.00 0.18 1.57 3.72 -0.53 -4.60 117.46 114.68 2kl4 n PHE 7 Ca -0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 2kl4 n PHE 7 Cb 0.80 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.49 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 1.05 0.85 -0.00 4.37 0.00 -1.12 -3.06 119.26 121.35 2kl4 h ALA 8 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kl4 h ALA 8 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kl4 h ALA 8 CO 0.00 0.33 -0.36 0.39 0.00 0.00 0.00 179.25 179.61 2kl4 n GLU 9 N -3.19 0.20 0.23 0.00 1.02 -1.26 -2.87 120.64 114.77 2kl4 n GLU 9 Ca 0.03 -0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 2kl4 n GLU 9 Cb 0.61 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 2kl4 n GLU 9 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2kl4 h TYR 10 N 0.25 -0.59 -0.66 -0.32 3.20 -1.86 -3.38 116.97 113.61 2kl4 h TYR 10 Ca 0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 2kl4 h TYR 10 Cb 0.49 0.20 -0.13 0.00 1.54 0.00 0.00 36.73 38.83 2kl4 h TYR 10 CO 0.00 -0.28 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.00 2kl4 h LEU 11 N -1.04 -0.64 -2.00 2.82 -0.00 -1.55 -1.64 115.31 111.26 2kl4 h LEU 11 Ca -0.07 0.20 0.20 0.00 -0.00 0.00 0.00 57.88 58.22 2kl4 h LEU 11 Cb 0.58 0.42 -0.03 0.00 -0.00 0.00 0.00 40.66 41.63 2kl4 h LEU 11 CO 0.11 -0.22 0.50 0.07 -0.00 0.00 0.00 178.44 178.89 2kl4 h LYS 12 N -0.01 0.00 -0.33 1.13 2.10 -1.71 -1.00 116.57 116.75 2kl4 h LYS 12 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 2kl4 h LYS 12 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2kl4 h LYS 12 CO -0.69 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.17 2kl4 n GLY 13 N -1.67 2.67 3.61 0.07 0.00 -0.64 -4.91 105.19 104.31 2kl4 n GLY 13 Ca 0.14 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.00 3.58 -1.06 -0.61 1.01 -0.38 -4.86 121.20 117.88 2kl4 s ILE 14 Ca 0.23 0.61 0.26 0.00 0.00 0.00 0.00 60.65 61.75 2kl4 s ILE 14 Cb 0.12 -3.71 0.25 0.00 0.01 0.00 0.00 42.46 39.13 2kl4 s ILE 14 CO 0.16 -0.41 1.85 -0.67 0.00 0.00 0.00 174.94 175.87 2kl4 n ASP 15 N 9.53 0.00 -3.55 3.58 2.03 -1.26 -4.42 116.55 122.46 2kl4 n ASP 15 Ca 0.21 0.42 -0.27 0.00 0.52 0.00 0.00 54.79 55.67 2kl4 n ASP 15 Cb 0.46 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.47 3.16 0.30 -0.67 -0.00 -1.26 -4.96 115.22 110.33 2kl4 n HIS 16 Ca 0.07 -4.15 0.17 0.00 0.46 0.00 0.00 57.72 54.28 2kl4 n HIS 16 Cb 0.29 -0.54 0.79 0.00 -0.12 0.00 0.00 29.99 30.41 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 4.58 0.00 0.00 1.57 0.13 -2.00 -1.82 132.00 134.46 2kl4 h PRO 17 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2kl4 h PRO 17 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2kl4 h PRO 17 CO 0.77 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 2kl4 n ASP 18 N -2.89 0.09 -0.01 1.44 9.92 -1.26 -1.33 116.55 122.50 2kl4 n ASP 18 Ca -0.00 0.53 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 2kl4 n ASP 18 Cb 0.21 -0.55 -0.00 0.00 -0.64 0.00 0.00 41.12 40.14 2kl4 n ASP 18 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kl4 n HIS 19 N -1.61 0.00 -0.05 1.24 8.25 -0.69 -4.81 115.22 117.56 2kl4 n HIS 19 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 2kl4 n HIS 19 Cb 0.08 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 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 0.05 0.05 -0.79 -0.41 2.43 -1.18 -3.06 114.38 111.48 2kl4 h ARG 20 Ca 0.00 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2kl4 h ARG 20 Cb 0.02 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 2kl4 h ARG 20 CO 0.00 1.04 0.47 0.22 -1.51 0.00 0.00 179.97 180.19 2kl4 h ASP 21 N -0.88 0.72 -0.01 -3.80 1.82 -1.87 -1.13 116.42 111.26 2kl4 h ASP 21 Ca -0.03 0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2kl4 h ASP 21 Cb 1.11 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 40.95 2kl4 h ASP 21 CO 0.03 0.45 -0.40 0.03 -1.61 0.00 0.00 179.24 177.73 2kl4 h ARG 22 N 0.85 -0.53 -0.91 0.28 2.47 -1.88 -2.67 114.38 111.99 2kl4 h ARG 22 Ca 0.35 0.04 0.04 0.00 -1.26 0.00 0.00 59.98 59.15 2kl4 h ARG 22 Cb 0.21 0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 2kl4 h ARG 22 CO -0.19 -0.35 0.60 1.15 0.56 0.00 0.00 179.97 181.73 2kl4 h THR 23 N -0.55 1.13 -0.27 2.04 2.02 -1.14 -0.23 112.91 115.92 2kl4 h THR 23 Ca 0.05 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2kl4 h THR 23 Cb 0.64 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2kl4 h THR 23 CO -0.32 0.20 0.19 -0.33 0.37 0.00 0.00 175.52 175.63 2kl4 h GLU 24 N 1.12 0.10 0.09 6.66 4.39 -0.97 -1.92 114.58 124.05 2kl4 h GLU 24 Ca 0.37 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 2kl4 h GLU 24 Cb 0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2kl4 h GLU 24 CO -0.12 0.07 -0.04 0.93 -1.16 0.00 0.00 179.01 178.69 2kl4 h GLU 25 N 0.11 -0.12 0.13 2.33 5.08 -0.71 -3.06 114.58 118.35 2kl4 h GLU 25 Ca 0.12 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2kl4 h GLU 25 Cb 0.35 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2kl4 h GLU 25 CO -0.01 0.09 -0.15 0.82 -1.00 0.00 0.00 179.01 178.75 2kl4 h ILE 26 N -0.31 0.66 0.04 3.13 5.03 -1.40 -1.83 117.51 122.82 2kl4 h ILE 26 Ca -0.01 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.74 2kl4 h ILE 26 Cb 0.26 0.66 -0.05 0.00 -3.03 0.00 0.00 36.82 34.67 2kl4 h ILE 26 CO 0.02 0.00 -0.47 -0.07 -0.68 0.00 0.00 178.15 176.95 2kl4 h LEU 27 N -0.32 -1.43 -0.78 1.44 3.38 -1.39 -0.63 115.31 115.59 2kl4 h LEU 27 Ca 0.01 0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2kl4 h LEU 27 Cb 0.31 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2kl4 h LEU 27 CO -0.05 -0.47 -0.57 0.28 0.09 0.00 0.00 178.44 177.72 2kl4 h SER 28 N -0.61 0.15 -0.18 -0.43 0.02 -1.58 -3.16 113.55 107.76 2kl4 h SER 28 Ca 0.00 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2kl4 h SER 28 Cb 0.64 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2kl4 h SER 28 CO -0.29 0.69 0.10 -0.25 -1.14 0.00 0.00 176.83 175.94 2kl4 h TRP 29 N 0.10 0.24 -0.19 3.45 7.01 -0.65 0.39 115.95 126.29 2kl4 h TRP 29 Ca -0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.01 2kl4 h TRP 29 Cb 1.03 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 2kl4 h TRP 29 CO 0.01 0.22 0.05 0.28 -2.79 0.00 0.00 178.44 176.21 2kl4 h VAL 30 N 0.20 0.93 0.00 2.65 2.07 -1.15 -0.07 116.25 120.88 2kl4 h VAL 30 Ca 0.06 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2kl4 h VAL 30 Cb 0.05 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2kl4 h VAL 30 CO -0.01 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2kl4 h ALA 31 N 1.13 1.00 0.00 1.67 0.00 -1.47 0.38 119.26 121.97 2kl4 h ALA 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kl4 h ALA 31 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kl4 h ALA 31 CO -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 178.97 2kl4 h ALA 32 N 2.19 0.00 0.00 0.00 0.00 0.78 -3.25 119.26 118.98 2kl4 h ALA 32 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2kl4 h ALA 32 Cb 0.30 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kl4 h ALA 32 CO 0.00 0.18 -0.34 1.15 0.00 0.00 0.00 179.25 180.24 2kl4 h THR 33 N -0.76 0.99 -2.43 0.00 2.02 -1.14 -3.32 112.91 108.28 2kl4 h THR 33 Ca 0.00 -1.27 -0.60 0.00 0.77 0.00 0.00 66.41 65.31 2kl4 h THR 33 Cb 0.18 1.73 -0.41 0.00 -1.74 0.00 0.00 68.15 67.91 2kl4 h THR 33 CO 0.00 0.33 -0.68 0.49 0.37 0.00 0.00 175.52 176.03 2kl4 n PHE 34 N -3.78 2.66 0.92 3.16 3.72 0.12 -4.90 117.46 119.37 2kl4 n PHE 34 Ca -0.01 -4.06 0.10 0.00 -0.05 0.00 0.00 57.45 53.42 2kl4 n PHE 34 Cb 0.42 -0.49 0.49 0.00 -0.94 0.00 0.00 39.48 38.96 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 1.38 0.28 -0.08 -1.08 -0.04 -1.23 -3.40 135.00 130.84 2kl4 n PRO 35 Ca 0.26 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 2kl4 n PRO 35 Cb 0.41 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.54 2kl4 n PRO 35 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kl4 h ASN 36 N 0.00 0.70 -3.75 3.54 -0.73 -1.90 -3.44 115.58 110.01 2kl4 h ASN 36 Ca 0.00 -0.18 -0.49 0.00 1.87 0.00 0.00 56.30 57.49 2kl4 h ASN 36 Cb 0.18 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2kl4 h ASN 36 CO 0.00 0.81 0.38 -0.76 -0.37 0.00 0.00 177.43 177.49 2kl4 s LEU 37 N -9.06 4.62 0.22 0.34 2.01 -1.22 -4.71 118.68 110.87 2kl4 s LEU 37 Ca -0.09 2.00 -0.14 0.00 0.01 0.00 0.00 54.13 55.91 2kl4 s LEU 37 Cb 0.14 -3.61 -0.08 0.00 0.01 0.00 0.00 46.19 42.66 2kl4 s LEU 37 CO 0.81 0.08 0.62 -1.61 1.01 0.00 0.00 176.35 177.26 2kl4 s GLU 38 N -1.14 4.00 0.27 1.70 0.41 0.27 -4.84 118.70 119.37 2kl4 s GLU 38 Ca 0.42 0.55 -0.28 0.00 -0.41 0.00 0.00 54.97 55.26 2kl4 s GLU 38 Cb -0.27 -2.76 -0.09 0.00 -1.78 0.00 0.00 34.13 29.23 2kl4 s GLU 38 CO 0.34 0.36 0.92 -1.25 -0.49 0.00 0.00 175.26 175.14 2kl4 s PRO 39 N -2.36 4.70 -0.09 0.39 0.04 -1.26 -1.15 135.00 135.26 2kl4 s PRO 39 Ca 0.44 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 2kl4 s PRO 39 Cb -0.13 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.37 2kl4 s PRO 39 CO 0.20 0.42 0.25 -1.14 0.04 0.00 0.00 177.00 176.76 2kl4 s GLN 40 N -1.58 0.28 -0.44 4.56 0.74 -0.59 -4.93 119.66 117.70 2kl4 s GLN 40 Ca 0.45 0.36 -0.15 0.00 0.05 0.00 0.00 55.36 56.06 2kl4 s GLN 40 Cb -0.22 0.11 0.05 0.00 1.10 0.00 0.00 33.01 34.05 2kl4 s GLN 40 CO 0.28 -0.05 0.35 1.41 -0.55 0.00 0.00 175.29 176.73 2kl4 s MET 41 N 0.24 2.98 0.12 1.67 -2.45 -1.26 -2.20 119.30 118.39 2kl4 s MET 41 Ca -0.01 -1.17 0.08 0.00 -1.25 0.00 0.00 55.69 53.34 2kl4 s MET 41 Cb -0.03 -4.05 -0.04 0.00 1.25 0.00 0.00 34.83 31.96 2kl4 s MET 41 CO -0.01 -0.89 -0.20 0.21 1.05 0.00 0.00 175.02 175.19 2kl4 s LYS 42 N 1.68 1.14 -1.72 4.11 2.47 -1.19 -4.84 119.74 121.41 2kl4 s LYS 42 Ca 0.05 -1.21 0.00 0.00 -1.56 0.00 0.00 55.97 53.25 2kl4 s LYS 42 Cb -0.21 -1.33 0.00 0.00 -1.46 0.00 0.00 37.83 34.82 2kl4 s LYS 42 CO 0.08 0.30 0.00 0.91 0.16 0.00 0.00 175.35 176.80 2kl4 n TRP 43 N 0.89 -0.34 -2.08 4.03 7.02 -1.26 -0.25 117.44 125.45 2kl4 n TRP 43 Ca -0.18 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.12 2kl4 n TRP 43 Cb 0.54 -3.02 -0.03 0.00 -2.42 0.00 0.00 31.31 26.38 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 -1.01 -5.04 -4.39 -0.99 2.85 -1.26 -5.00 115.26 100.42 2kl4 n ASN 44 Ca -0.17 0.20 -0.30 0.00 -0.11 0.00 0.00 54.58 54.21 2kl4 n ASN 44 Cb 0.56 -4.33 -0.14 0.00 1.24 0.00 0.00 39.78 37.12 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 -2.75 2.34 -0.09 -0.44 -4.23 0.65 -5.06 115.64 106.06 2kl4 s THR 45 Ca 0.00 -1.50 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2kl4 s THR 45 Cb 0.00 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 2kl4 s THR 45 CO 0.00 0.24 1.33 -2.16 -0.54 0.00 0.00 174.62 173.49 2kl4 s PRO 46 N -1.63 4.26 0.19 3.99 0.04 -1.23 -3.14 135.00 137.48 2kl4 s PRO 46 Ca 0.13 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2kl4 s PRO 46 Cb -0.10 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2kl4 s PRO 46 CO 0.05 -0.64 0.07 0.00 0.04 0.00 0.00 177.00 176.51 2kl4 s MET 47 N 3.07 1.16 0.33 4.56 0.23 -0.93 -1.88 119.30 125.84 2kl4 s MET 47 Ca 0.59 -1.59 0.04 0.00 -1.03 0.00 0.00 55.69 53.70 2kl4 s MET 47 Cb -0.26 -0.01 -0.07 0.00 -1.53 0.00 0.00 34.83 32.97 2kl4 s MET 47 CO 0.21 -0.27 0.05 -0.06 -2.03 0.00 0.00 175.02 172.92 2kl4 s PHE 48 N -3.90 2.02 -0.20 3.16 0.40 -1.16 -1.54 117.98 116.76 2kl4 s PHE 48 Ca 0.31 -0.92 -0.15 0.00 -0.60 0.00 0.00 56.93 55.57 2kl4 s PHE 48 Cb 0.07 -1.32 0.06 0.00 0.51 0.00 0.00 43.02 42.33 2kl4 s PHE 48 CO 0.08 0.06 0.51 -1.54 0.70 0.00 0.00 175.22 175.03 2kl4 s SER 49 N -3.51 -0.59 -0.33 1.36 1.04 -0.30 -4.42 113.70 106.96 2kl4 s SER 49 Ca 0.36 1.07 -0.29 0.00 0.48 0.00 0.00 55.95 57.57 2kl4 s SER 49 Cb 0.09 1.02 0.01 0.00 0.10 0.00 0.00 66.02 67.23 2kl4 s SER 49 CO 0.16 -0.19 1.25 0.21 0.98 0.00 0.00 173.24 175.65 2kl4 s ASN 50 N 0.84 6.69 -1.36 7.02 2.47 -1.26 -0.57 114.94 128.77 2kl4 s ASN 50 Ca -0.05 1.08 -0.11 0.00 0.42 0.00 0.00 52.86 54.20 2kl4 s ASN 50 Cb -0.05 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.21 2kl4 s ASN 50 CO -0.07 -1.09 0.42 0.00 -3.72 0.00 0.00 177.10 172.65 2kl4 n GLN 51 N 7.34 -1.61 -0.99 0.43 6.02 -1.26 -1.84 117.38 125.47 2kl4 n GLN 51 Ca 0.14 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2kl4 n GLN 51 Cb 0.47 -3.75 0.00 0.00 1.02 0.00 0.00 30.24 27.98 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 -2.13 0.46 0.00 1.08 0.00 -1.26 -5.02 105.19 98.32 2kl4 n GLY 52 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2kl4 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kl4 n THR 53 N -2.76 0.00 -1.79 2.61 5.66 -0.76 -5.06 114.28 112.18 2kl4 n THR 53 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 2kl4 n THR 53 Cb 0.07 -0.92 0.06 0.00 -1.55 0.00 0.00 70.33 68.00 2kl4 n THR 53 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2kl4 n PHE 54 N -1.47 0.00 0.22 1.09 -0.00 -1.26 -4.71 117.46 111.32 2kl4 n PHE 54 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 57.45 56.99 2kl4 n PHE 54 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 39.48 39.37 2kl4 n PHE 54 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2kl4 n ILE 55 N -0.41 0.00 -3.62 -2.13 5.41 -1.26 -4.61 119.36 112.74 2kl4 n ILE 55 Ca 0.07 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.70 2kl4 n ILE 55 Cb 0.75 -0.43 -0.07 0.00 -0.71 0.00 0.00 39.64 39.18 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 -1.95 0.00 0.00 1.39 2.07 -1.23 -4.22 121.20 117.25 2kl4 s ILE 56 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2kl4 s ILE 56 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2kl4 s ILE 56 CO 0.00 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2kl4 n GLY 57 N 2.18 1.47 3.36 1.50 0.00 -1.25 -2.99 105.19 109.47 2kl4 n GLY 57 Ca -0.13 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2kl4 n GLY 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kl4 s PHE 58 N -1.03 1.68 0.14 1.61 -0.12 -0.78 -4.36 117.98 115.11 2kl4 s PHE 58 Ca 0.00 -1.11 -0.15 0.00 -0.05 0.00 0.00 56.93 55.62 2kl4 s PHE 58 Cb 0.00 -1.03 0.03 0.00 -0.63 0.00 0.00 43.02 41.39 2kl4 s PHE 58 CO 0.00 -0.23 0.39 -1.54 -0.05 0.00 0.00 175.22 173.79 2kl4 s SER 59 N -3.37 -0.18 0.73 1.98 1.04 -1.19 -3.51 113.70 109.20 2kl4 s SER 59 Ca 0.37 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 56.23 2kl4 s SER 59 Cb 0.08 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2kl4 s SER 59 CO 0.14 -0.88 1.23 0.35 0.98 0.00 0.00 173.24 175.07 2kl4 n THR 60 N -0.23 3.36 -4.13 2.02 -2.24 -1.26 -2.52 114.28 109.28 2kl4 n THR 60 Ca -0.14 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2kl4 n THR 60 Cb 0.63 -1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.77 0.13 0.61 3.42 0.15 0.01 -4.84 113.70 111.41 2kl4 s SER 61 Ca 0.78 -1.24 0.37 0.00 0.70 0.00 0.00 55.95 56.56 2kl4 s SER 61 Cb -0.33 0.47 1.96 0.00 -1.71 0.00 0.00 66.02 66.40 2kl4 s SER 61 CO 0.46 -0.97 2.23 0.11 1.20 0.00 0.00 173.24 176.27 2kl4 h LYS 62 N 2.46 0.00 0.00 5.44 1.57 -2.01 -3.05 116.57 120.98 2kl4 h LYS 62 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2kl4 h LYS 62 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2kl4 h LYS 62 CO 0.46 0.03 -0.09 1.58 -0.57 0.00 0.00 179.45 180.85 2kl4 n HIS 63 N -3.34 0.00 -3.91 -1.35 -0.00 -1.26 -5.11 115.22 100.25 2kl4 n HIS 63 Ca -0.02 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.08 2kl4 n HIS 63 Cb 0.15 0.09 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 2kl4 n HIS 63 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kl4 s HIS 64 N 0.00 0.04 -0.01 1.57 -3.43 -1.15 -2.72 115.29 109.59 2kl4 s HIS 64 Ca 0.00 -0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 53.80 2kl4 s HIS 64 Cb 0.00 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 2kl4 s HIS 64 CO 0.00 -1.13 0.09 -1.17 -2.00 0.00 0.00 174.74 170.53 2kl4 s LEU 65 N -2.96 3.94 -0.29 5.38 2.96 -0.83 -0.81 118.68 126.07 2kl4 s LEU 65 Ca 0.16 0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 54.15 2kl4 s LEU 65 Cb -0.04 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2kl4 s LEU 65 CO 0.08 0.28 0.14 -0.94 -1.32 0.00 0.00 176.35 174.58 2kl4 s SER 66 N -1.70 5.52 0.06 3.68 1.04 -1.05 -2.82 113.70 118.44 2kl4 s SER 66 Ca 0.23 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.35 2kl4 s SER 66 Cb -0.12 -2.00 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 2kl4 s SER 66 CO 0.14 -0.13 -0.17 -0.69 0.98 0.00 0.00 173.24 173.37 2kl4 s VAL 67 N 1.64 1.32 0.08 5.02 1.01 -0.71 -3.19 120.40 125.57 2kl4 s VAL 67 Ca 0.05 -1.25 -0.27 0.00 0.00 0.00 0.00 61.98 60.52 2kl4 s VAL 67 Cb -0.16 -1.21 0.08 0.00 0.00 0.00 0.00 36.38 35.09 2kl4 s VAL 67 CO 0.06 -0.06 0.95 -0.55 0.00 0.00 0.00 175.10 175.50 2kl4 s SER 68 N -1.51 -0.25 -0.17 3.32 0.15 -1.26 -0.82 113.70 113.15 2kl4 s SER 68 Ca 0.02 -0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.32 2kl4 s SER 68 Cb -0.09 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2kl4 s SER 68 CO 0.02 -0.75 -0.20 -0.81 1.20 0.00 0.00 173.24 172.70 2kl4 n PRO 69 N -0.37 0.50 0.00 5.44 -0.04 -1.26 -3.82 135.00 135.45 2kl4 n PRO 69 Ca -0.07 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2kl4 n PRO 69 Cb 0.61 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2kl4 n PRO 69 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kl4 n GLU 70 N -4.51 0.00 0.00 0.54 1.02 -1.26 -3.57 120.64 112.86 2kl4 n GLU 70 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2kl4 n GLU 70 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 2kl4 n GLU 70 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kl4 n GLU 71 N -0.42 0.35 -0.27 3.49 0.28 -1.26 -4.85 120.64 117.96 2kl4 n GLU 71 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 2kl4 n GLU 71 Cb 0.00 -0.40 0.06 0.00 1.43 0.00 0.00 31.44 32.53 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 1.23 0.00 3.84 2.10 -1.97 -1.28 117.51 121.44 2kl4 h ILE 72 Ca 0.00 -0.63 0.00 0.00 1.08 0.00 0.00 64.86 65.31 2kl4 h ILE 72 Cb 0.00 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.01 2kl4 h ILE 72 CO 0.00 0.27 0.29 1.23 -1.08 0.00 0.00 178.15 178.86 2kl4 h GLY 73 N 1.04 0.00 0.00 8.18 0.00 -1.94 -0.53 103.07 109.81 2kl4 h GLY 73 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2kl4 h GLY 73 CO -0.04 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.89 2kl4 n ILE 74 N -2.90 0.00 0.00 2.60 2.08 -0.69 -3.18 119.36 117.27 2kl4 n ILE 74 Ca -0.02 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.83 2kl4 n ILE 74 Cb 0.34 1.07 0.00 0.00 -0.75 0.00 0.00 39.64 40.30 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 -0.04 0.00 -0.05 4.38 7.64 -0.26 -4.53 113.62 120.76 2kl4 n SER 75 Ca 0.00 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2kl4 n SER 75 Cb 0.02 -0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 2kl4 n SER 75 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2kl4 h GLN 76 N 0.00 -0.01 0.00 1.43 3.07 -1.72 -3.32 115.11 114.56 2kl4 h GLN 76 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kl4 h GLN 76 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2kl4 h GLN 76 CO 0.00 0.81 0.00 0.74 0.09 0.00 0.00 178.83 180.47 2kl4 h PHE 77 N -0.93 0.00 -0.57 0.06 -1.00 -1.70 -2.33 116.94 110.46 2kl4 h PHE 77 Ca -0.00 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.89 2kl4 h PHE 77 Cb 0.82 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 2kl4 h PHE 77 CO 0.22 0.00 0.39 0.00 -1.61 0.00 0.00 178.31 177.31 2kl4 h ALA 78 N 2.07 2.14 -0.64 2.45 0.00 -1.64 -1.44 119.26 122.21 2kl4 h ALA 78 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2kl4 h ALA 78 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kl4 h ALA 78 CO 0.00 -0.28 0.09 0.22 0.00 0.00 0.00 179.25 179.28 2kl4 h ASP 79 N 0.29 1.02 -0.28 0.00 3.58 -1.64 0.31 116.42 119.70 2kl4 h ASP 79 Ca 0.27 -0.27 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 2kl4 h ASP 79 Cb 0.67 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2kl4 h ASP 79 CO -0.06 1.03 -0.40 0.00 -2.88 0.00 0.00 179.24 176.93 2kl4 h ALA 80 N 1.03 0.65 -0.40 -0.78 0.00 -1.48 -2.21 119.26 116.07 2kl4 h ALA 80 Ca 0.19 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2kl4 h ALA 80 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kl4 h ALA 80 CO 0.01 0.67 0.24 0.82 0.00 0.00 0.00 179.25 181.00 2kl4 h ILE 81 N 0.68 1.06 -0.27 0.00 2.04 -1.16 -3.08 117.51 116.78 2kl4 h ILE 81 Ca 0.05 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2kl4 h ILE 81 Cb 0.97 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2kl4 h ILE 81 CO 0.09 0.09 0.12 0.00 0.00 0.00 0.00 178.15 178.45 2kl4 h ALA 82 N 1.17 0.32 -0.01 1.87 0.00 -0.65 -2.36 119.26 119.61 2kl4 h ALA 82 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2kl4 h ALA 82 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kl4 h ALA 82 CO -0.06 -0.28 -0.19 1.96 0.00 0.00 0.00 179.25 180.68 2kl4 h GLN 83 N 0.26 0.01 -0.49 0.00 4.20 -1.40 -1.74 115.11 115.95 2kl4 h GLN 83 Ca 0.12 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 2kl4 h GLN 83 Cb 0.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2kl4 h GLN 83 CO -0.09 0.20 -0.19 0.00 -0.67 0.00 0.00 178.83 178.08 2kl4 h ALA 84 N 1.80 0.68 0.00 3.87 0.00 -1.35 -3.47 119.26 120.79 2kl4 h ALA 84 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kl4 h ALA 84 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kl4 h ALA 84 CO 0.03 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2kl4 n GLY 85 N -0.14 -0.32 3.92 0.00 0.00 -0.65 -5.14 105.19 102.85 2kl4 n GLY 85 Ca 0.00 0.00 -0.26 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 -0.39 3.50 0.23 1.61 2.02 -0.94 -4.96 117.35 118.42 2kl4 s TYR 86 Ca 0.00 0.52 0.11 0.00 -0.37 0.00 0.00 57.07 57.33 2kl4 s TYR 86 Cb 0.00 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 2kl4 s TYR 86 CO 0.00 0.10 -0.20 -1.12 -1.57 0.00 0.00 175.55 172.77 2kl4 s SER 87 N -3.67 3.65 0.30 2.29 0.01 -1.26 -3.29 113.70 111.73 2kl4 s SER 87 Ca 0.42 -0.88 0.06 0.00 1.31 0.00 0.00 55.95 56.87 2kl4 s SER 87 Cb -0.10 -0.36 -0.06 0.00 0.21 0.00 0.00 66.02 65.71 2kl4 s SER 87 CO 0.34 0.08 -0.04 0.00 0.41 0.00 0.00 173.24 174.04 2kl4 s ALA 88 N -2.00 2.45 0.82 1.44 0.00 -1.26 -3.15 121.76 120.06 2kl4 s ALA 88 Ca 0.25 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.24 2kl4 s ALA 88 Cb -0.07 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2kl4 s ALA 88 CO 0.13 -0.10 0.00 0.25 0.00 0.00 0.00 175.76 176.04 2kl4 n THR 89 N -0.64 0.00 0.25 0.00 -2.24 0.24 -4.97 114.28 106.92 2kl4 n THR 89 Ca -0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 2kl4 n THR 89 Cb 0.64 -1.82 0.65 0.00 -2.10 0.00 0.00 70.33 67.70 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 1.79 -2.02 -3.40 116.57 112.16 2kl4 h LYS 90 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kl4 h LYS 90 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2kl4 h LYS 90 CO 0.00 0.13 -0.04 0.41 -1.08 0.00 0.00 179.45 178.87 2kl4 n GLY 91 N -0.96 0.60 3.43 3.86 0.00 -1.26 -4.82 105.19 106.03 2kl4 n GLY 91 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.24 0.42 0.03 0.99 0.05 -1.26 -4.70 118.68 113.97 2kl4 s LEU 92 Ca 0.00 -0.57 0.02 0.00 0.05 0.00 0.00 54.13 53.63 2kl4 s LEU 92 Cb 0.00 1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 45.90 2kl4 s LEU 92 CO 0.00 -0.97 0.02 0.72 -0.55 0.00 0.00 176.35 175.58 2kl4 s PHE 93 N -3.89 3.10 -0.41 3.48 -0.12 -0.00 -0.59 117.98 119.55 2kl4 s PHE 93 Ca 0.10 0.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.07 2kl4 s PHE 93 Cb 0.01 -1.64 0.13 0.00 -0.63 0.00 0.00 43.02 40.89 2kl4 s PHE 93 CO -0.04 0.49 0.21 1.03 -0.05 0.00 0.00 175.22 176.86 2kl4 s ARG 94 N -1.88 1.08 0.28 1.99 0.52 -1.19 -1.73 118.95 118.02 2kl4 s ARG 94 Ca 0.23 -1.77 -0.28 0.00 -0.52 0.00 0.00 55.73 53.39 2kl4 s ARG 94 Cb -0.12 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 2kl4 s ARG 94 CO 0.14 -1.15 0.95 0.42 0.02 0.00 0.00 175.30 175.68 2kl4 s ILE 95 N 0.64 4.12 0.64 1.52 1.09 -1.13 -4.70 121.20 123.38 2kl4 s ILE 95 Ca 0.17 1.96 -0.13 0.00 -1.10 0.00 0.00 60.65 61.54 2kl4 s ILE 95 Cb -0.23 -4.18 -0.02 0.00 -1.06 0.00 0.00 42.46 36.97 2kl4 s ILE 95 CO -0.03 0.34 1.05 -2.16 -0.10 0.00 0.00 174.94 174.04 2kl4 s PRO 96 N -1.58 3.20 0.36 2.79 0.04 -1.26 -1.96 135.00 136.59 2kl4 s PRO 96 Ca 0.45 1.05 0.27 0.00 0.04 0.00 0.00 61.00 62.82 2kl4 s PRO 96 Cb -0.23 -2.02 1.16 0.00 0.04 0.00 0.00 34.50 33.45 2kl4 s PRO 96 CO 0.29 -0.90 1.81 -1.49 0.04 0.00 0.00 177.00 176.75 2kl4 h TRP 97 N -0.09 0.00 -0.65 0.56 -0.00 -1.86 -3.21 115.95 110.70 2kl4 h TRP 97 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.38 2kl4 h TRP 97 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.34 2kl4 h TRP 97 CO 0.61 0.00 0.19 -0.97 -0.00 0.00 0.00 178.44 178.27 2kl4 h ASN 98 N 0.00 0.92 -4.35 -3.49 -1.24 -1.92 -3.46 115.58 102.04 2kl4 h ASN 98 Ca 0.00 -0.16 -0.43 0.00 0.71 0.00 0.00 56.30 56.41 2kl4 h ASN 98 Cb 0.37 -0.24 -0.21 0.00 0.73 0.00 0.00 38.32 38.97 2kl4 h ASN 98 CO 0.00 0.87 -0.78 -1.81 -1.29 0.00 0.00 177.43 174.41 2kl4 s ASP 99 N -6.50 1.86 0.37 1.15 1.01 -1.21 -5.13 116.67 108.22 2kl4 s ASP 99 Ca -0.11 -0.67 -0.23 0.00 0.71 0.00 0.00 52.55 52.25 2kl4 s ASP 99 Cb 0.15 -0.07 -0.10 0.00 1.01 0.00 0.00 42.92 43.92 2kl4 s ASP 99 CO 0.82 -0.07 0.93 -2.16 0.21 0.00 0.00 175.17 174.90 2kl4 s PRO 100 N -1.96 4.39 0.06 8.23 0.04 -1.26 -4.62 135.00 139.87 2kl4 s PRO 100 Ca 0.01 1.20 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 2kl4 s PRO 100 Cb -0.09 -2.51 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 2kl4 s PRO 100 CO 0.03 0.14 1.48 0.14 0.04 0.00 0.00 177.00 178.82 2kl4 s VAL 101 N -1.88 3.37 -0.77 -0.36 -7.23 -1.26 -4.93 120.40 107.33 2kl4 s VAL 101 Ca 0.55 0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 61.31 2kl4 s VAL 101 Cb -0.14 -3.55 0.03 0.00 0.56 0.00 0.00 36.38 33.28 2kl4 s VAL 101 CO 0.18 0.02 1.33 -2.28 -0.31 0.00 0.00 175.10 174.05 2kl4 s HIS 102 N 2.08 2.28 0.55 2.82 2.46 -1.26 -4.88 115.29 119.35 2kl4 s HIS 102 Ca 0.67 -0.11 0.28 0.00 0.47 0.00 0.00 55.06 56.37 2kl4 s HIS 102 Cb -0.36 -4.61 1.70 0.00 -0.13 0.00 0.00 32.58 29.18 2kl4 s HIS 102 CO 0.29 -2.07 2.21 1.88 -2.47 0.00 0.00 174.74 174.58 2kl4 h TYR 103 N 10.23 0.00 0.44 3.88 -1.99 -1.99 -2.85 116.97 124.69 2kl4 h TYR 103 Ca -0.21 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.49 2kl4 h TYR 103 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.78 2kl4 h TYR 103 CO 1.15 0.03 -0.21 1.49 -0.00 0.00 0.00 178.16 180.62 2kl4 h GLU 104 N 0.00 -0.57 -0.92 4.88 4.81 -2.00 -0.85 114.58 119.93 2kl4 h GLU 104 Ca -0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2kl4 h GLU 104 Cb 0.08 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2kl4 h GLU 104 CO 0.00 -0.27 0.54 -0.07 -0.73 0.00 0.00 179.01 178.49 2kl4 h LEU 105 N -0.88 1.12 -0.17 1.64 -0.00 -1.96 -1.94 115.31 113.12 2kl4 h LEU 105 Ca -0.06 -0.08 0.05 0.00 -0.00 0.00 0.00 57.88 57.80 2kl4 h LEU 105 Cb 0.57 -0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 40.88 2kl4 h LEU 105 CO 0.10 0.87 -0.25 -0.07 -0.00 0.00 0.00 178.44 179.08 2kl4 h LEU 106 N 1.27 -0.79 -0.32 1.67 3.38 -1.45 -2.81 115.31 116.26 2kl4 h LEU 106 Ca 0.33 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.30 2kl4 h LEU 106 Cb -0.03 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kl4 h LEU 106 CO -0.06 -0.30 -0.28 0.07 0.09 0.00 0.00 178.44 177.96 2kl4 h LYS 107 N -0.30 0.76 -0.58 1.13 2.10 -0.70 -2.76 116.57 116.22 2kl4 h LYS 107 Ca 0.11 -0.39 0.02 0.00 -2.00 0.00 0.00 60.65 58.40 2kl4 h LYS 107 Cb 0.47 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.77 2kl4 h LYS 107 CO -0.34 1.01 0.36 1.96 -2.00 0.00 0.00 179.45 180.44 2kl4 h GLN 108 N 0.53 0.69 -0.14 0.07 4.20 -1.21 0.30 115.11 119.55 2kl4 h GLN 108 Ca 0.06 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.53 2kl4 h GLN 108 Cb 0.85 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.49 2kl4 h GLN 108 CO 0.07 0.46 -0.66 0.00 -0.67 0.00 0.00 178.83 178.03 2kl4 h MET 109 N 0.71 0.70 -0.06 1.46 -0.00 -1.56 -2.76 114.93 113.43 2kl4 h MET 109 Ca 0.23 -0.56 -0.04 0.00 -0.00 0.00 0.00 59.70 59.33 2kl4 h MET 109 Cb 0.01 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2kl4 h MET 109 CO -0.09 1.18 -0.14 0.97 -0.00 0.00 0.00 176.91 178.83 2kl4 h ILE 110 N 0.39 1.43 -0.91 -0.10 -0.00 -1.17 -0.68 117.51 116.48 2kl4 h ILE 110 Ca -0.04 -1.48 0.04 0.00 -0.00 0.00 0.00 64.86 63.38 2kl4 h ILE 110 Cb 1.29 2.26 -0.05 0.00 -0.00 0.00 0.00 36.82 40.31 2kl4 h ILE 110 CO 0.14 0.41 0.59 -0.33 -0.00 0.00 0.00 178.15 178.95 2kl4 h GLU 111 N -0.31 1.10 -0.29 2.19 5.08 -1.07 0.63 114.58 121.91 2kl4 h GLU 111 Ca -0.00 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2kl4 h GLU 111 Cb 0.73 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2kl4 h GLU 111 CO 0.03 0.73 -0.03 0.35 -1.00 0.00 0.00 179.01 179.09 2kl4 h PHE 112 N 1.14 -0.08 0.00 4.33 3.57 -1.40 -2.01 116.94 122.49 2kl4 h PHE 112 Ca 0.36 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 2kl4 h PHE 112 Cb 0.01 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2kl4 h PHE 112 CO -0.01 -0.09 -0.12 -0.91 -2.23 0.00 0.00 178.31 174.95 2kl4 h ASN 113 N 0.04 0.00 0.82 0.41 -0.26 0.70 -0.50 115.58 116.79 2kl4 h ASN 113 Ca 0.14 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.64 2kl4 h ASN 113 Cb 0.20 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 2kl4 h ASN 113 CO -0.26 0.12 -1.19 0.40 -1.06 0.00 0.00 177.43 175.43 2kl4 h ILE 114 N 0.00 1.51 -0.01 2.81 2.04 -1.06 -3.10 117.51 119.69 2kl4 h ILE 114 Ca -0.00 -3.21 0.00 0.00 1.00 0.00 0.00 64.86 62.65 2kl4 h ILE 114 Cb 0.21 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2kl4 h ILE 114 CO 0.02 0.88 0.00 0.00 0.00 0.00 0.00 178.15 179.05 2kl4 n GLN 115 N -3.34 1.11 -0.00 2.37 10.64 -0.78 -4.25 117.38 123.13 2kl4 n GLN 115 Ca -0.05 -0.17 -0.21 0.00 -1.83 0.00 0.00 57.00 54.74 2kl4 n GLN 115 Cb 0.98 -1.40 -0.14 0.00 -0.86 0.00 0.00 30.24 28.82 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 -0.71 2.11 -1.83 2.61 2.03 -0.26 -4.09 116.55 116.41 2kl4 n ASP 116 Ca 0.19 0.21 -0.03 0.00 0.52 0.00 0.00 54.79 55.67 2kl4 n ASP 116 Cb 0.13 -0.85 0.28 0.00 -0.72 0.00 0.00 41.12 39.95 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 -3.52 3.56 0.00 -0.67 4.76 -1.25 -5.09 118.16 115.95 2kl4 n LYS 117 Ca -0.33 -2.67 0.00 0.00 -2.87 0.00 0.00 58.31 52.45 2kl4 n LYS 117 Cb 1.03 -2.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42