#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 -0.28 -0.02 1.61 7.64 -1.26 -5.01 113.62 116.31 2kl4 n SER 2 Ca 0.00 0.47 -0.03 0.00 1.01 0.00 0.00 58.87 60.32 2kl4 n SER 2 Cb 0.00 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 61.80 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 -3.57 0.00 -0.32 1.43 -0.00 -1.26 -4.79 115.22 106.71 2kl4 n HIS 3 Ca 0.11 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.99 2kl4 n HIS 3 Cb 0.52 -0.12 0.35 0.00 -0.00 0.00 0.00 29.99 30.74 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 -0.07 0.42 -0.98 -1.40 0.00 -1.99 -0.50 114.93 110.42 2kl4 h MET 4 Ca -0.08 -0.03 0.13 0.00 0.00 0.00 0.00 59.70 59.73 2kl4 h MET 4 Cb 1.09 -0.10 -0.08 0.00 0.00 0.00 0.00 31.60 32.51 2kl4 h MET 4 CO -0.03 0.28 0.62 0.93 0.00 0.00 0.00 176.91 178.70 2kl4 h GLU 5 N 0.43 0.88 -0.88 1.72 5.08 -1.99 0.36 114.58 120.18 2kl4 h GLU 5 Ca 0.61 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.99 2kl4 h GLU 5 Cb 1.19 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 2kl4 h GLU 5 CO -0.53 0.58 0.54 0.28 -1.00 0.00 0.00 179.01 178.88 2kl4 h VAL 6 N 0.91 0.99 -0.01 3.13 2.07 -1.41 -2.86 116.25 119.07 2kl4 h VAL 6 Ca 0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2kl4 h VAL 6 Cb 0.57 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2kl4 h VAL 6 CO -0.26 0.17 -0.58 0.49 0.02 0.00 0.00 177.57 177.42 2kl4 n PHE 7 N -4.64 0.00 -0.05 1.57 3.72 -0.51 -4.60 117.46 112.95 2kl4 n PHE 7 Ca 0.14 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 2kl4 n PHE 7 Cb 0.23 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 2kl4 n PHE 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl4 h ALA 8 N 3.21 0.22 -0.63 4.37 0.00 -0.73 -3.15 119.26 122.55 2kl4 h ALA 8 Ca 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2kl4 h ALA 8 Cb 0.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2kl4 h ALA 8 CO 0.00 0.26 0.42 0.93 0.00 0.00 0.00 179.25 180.85 2kl4 h GLU 9 N 0.05 0.57 -0.33 0.00 5.08 -1.82 -0.84 114.58 117.29 2kl4 h GLU 9 Ca -0.00 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2kl4 h GLU 9 Cb 0.92 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2kl4 h GLU 9 CO 0.07 0.37 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.35 2kl4 h TYR 10 N 0.58 0.82 -0.78 4.33 5.03 -1.86 -3.15 116.97 121.94 2kl4 h TYR 10 Ca 0.28 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 2kl4 h TYR 10 Cb 0.34 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.40 2kl4 h TYR 10 CO -0.00 0.93 0.44 -0.07 -1.32 0.00 0.00 178.16 178.14 2kl4 h LEU 11 N 0.48 0.96 -1.29 2.82 3.38 -1.13 -0.63 115.31 119.88 2kl4 h LEU 11 Ca 0.07 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2kl4 h LEU 11 Cb 0.72 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2kl4 h LEU 11 CO 0.05 0.76 0.54 0.11 0.09 0.00 0.00 178.44 179.99 2kl4 h LYS 12 N 1.08 0.77 -0.02 1.13 1.57 -1.36 -2.42 116.57 117.32 2kl4 h LYS 12 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2kl4 h LYS 12 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2kl4 h LYS 12 CO -0.05 0.51 0.00 0.41 -0.57 0.00 0.00 179.45 179.75 2kl4 n GLY 13 N -1.43 -0.45 3.76 3.86 0.00 -0.26 -4.88 105.19 105.79 2kl4 n GLY 13 Ca 0.14 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.98 2.73 0.15 -0.61 -1.09 -0.91 -4.93 121.20 114.55 2kl4 s ILE 14 Ca 0.40 0.47 0.27 0.00 -2.23 0.00 0.00 60.65 59.56 2kl4 s ILE 14 Cb 0.20 -3.20 0.28 0.00 -1.58 0.00 0.00 42.46 38.17 2kl4 s ILE 14 CO 0.33 -0.08 1.89 -0.78 -1.23 0.00 0.00 174.94 175.06 2kl4 h ASP 15 N 1.08 0.00 -4.28 3.58 3.58 -1.90 -3.44 116.42 115.04 2kl4 h ASP 15 Ca -0.50 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 2kl4 h ASP 15 Cb 1.29 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.12 2kl4 h ASP 15 CO 0.56 0.15 0.26 -1.00 -2.88 0.00 0.00 179.24 176.33 2kl4 s HIS 16 N -3.70 -0.64 0.47 0.28 3.76 -1.26 -5.05 115.29 109.16 2kl4 s HIS 16 Ca 0.00 1.33 0.21 0.00 -0.15 0.00 0.00 55.06 56.46 2kl4 s HIS 16 Cb 0.10 0.36 1.30 0.00 1.11 0.00 0.00 32.58 35.45 2kl4 s HIS 16 CO 0.61 -0.44 2.07 -1.00 -0.85 0.00 0.00 174.74 175.13 2kl4 h PRO 17 N 3.79 0.00 0.00 8.40 0.13 -1.96 -1.29 132.00 141.07 2kl4 h PRO 17 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kl4 h PRO 17 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kl4 h PRO 17 CO 0.22 0.12 0.00 -0.44 -0.23 0.00 0.00 178.00 177.67 2kl4 h ASP 18 N 0.00 0.00 0.00 1.44 5.19 -2.00 -0.15 116.42 120.90 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 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2kl4 h ASP 18 CO 0.02 0.00 -0.01 1.41 -3.12 0.00 0.00 179.24 177.54 2kl4 n HIS 19 N -2.31 0.00 -0.04 4.55 8.25 -0.50 -4.69 115.22 120.47 2kl4 n HIS 19 Ca -0.01 -0.73 -0.08 0.00 -0.26 0.00 0.00 57.72 56.65 2kl4 n HIS 19 Cb 0.09 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 2kl4 n HIS 19 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2kl4 n ARG 20 N -0.95 0.20 0.00 -0.41 0.00 -0.21 -4.66 116.66 110.63 2kl4 n ARG 20 Ca 0.08 0.07 0.08 0.00 -0.00 0.00 0.00 57.85 58.08 2kl4 n ARG 20 Cb 0.46 -0.99 0.41 0.00 0.00 0.00 0.00 32.46 32.34 2kl4 n ARG 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kl4 n ASP 21 N -3.08 0.00 -0.05 6.15 9.92 -0.40 -0.34 116.55 128.76 2kl4 n ASP 21 Ca -0.16 0.06 -0.01 0.00 -0.53 0.00 0.00 54.79 54.14 2kl4 n ASP 21 Cb 0.64 -0.29 -0.14 0.00 -0.64 0.00 0.00 41.12 40.69 2kl4 n ASP 21 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2kl4 n ARG 22 N -1.29 0.92 -0.16 -1.24 1.85 -1.26 -4.33 116.66 111.15 2kl4 n ARG 22 Ca 0.08 -0.08 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2kl4 n ARG 22 Cb 0.13 -1.44 0.01 0.00 -1.05 0.00 0.00 32.46 30.11 2kl4 n ARG 22 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2kl4 h THR 23 N 0.00 1.16 -0.87 8.89 2.02 -0.95 -2.91 112.91 120.25 2kl4 h THR 23 Ca -0.27 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2kl4 h THR 23 Cb 1.56 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2kl4 h THR 23 CO 0.01 0.17 0.54 1.05 0.37 0.00 0.00 175.52 177.66 2kl4 h GLU 24 N 0.62 1.17 -0.31 6.66 4.11 -1.69 -2.36 114.58 122.79 2kl4 h GLU 24 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2kl4 h GLU 24 Cb 0.04 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2kl4 h GLU 24 CO -0.03 0.81 0.20 0.93 0.07 0.00 0.00 179.01 181.00 2kl4 h GLU 25 N 1.20 0.41 -0.46 1.06 5.08 -1.71 -0.97 114.58 119.19 2kl4 h GLU 25 Ca 0.31 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2kl4 h GLU 25 Cb -0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2kl4 h GLU 25 CO -0.06 0.27 0.25 0.82 -1.00 0.00 0.00 179.01 179.29 2kl4 h ILE 26 N 0.42 1.17 -0.23 3.13 2.04 -1.41 0.17 117.51 122.79 2kl4 h ILE 26 Ca 0.11 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2kl4 h ILE 26 Cb -0.05 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2kl4 h ILE 26 CO -0.02 0.18 0.12 -0.07 0.00 0.00 0.00 178.15 178.35 2kl4 h LEU 27 N 0.60 0.18 -0.46 1.44 3.38 -1.12 -0.51 115.31 118.82 2kl4 h LEU 27 Ca 0.16 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2kl4 h LEU 27 Cb 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2kl4 h LEU 27 CO -0.03 0.13 0.03 -1.28 0.09 0.00 0.00 178.44 177.39 2kl4 h SER 28 N 0.25 0.76 -0.43 -0.43 0.87 -0.99 -2.79 113.55 110.79 2kl4 h SER 28 Ca 0.09 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2kl4 h SER 28 Cb 0.02 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2kl4 h SER 28 CO -0.06 0.86 0.16 -0.25 -0.53 0.00 0.00 176.83 177.01 2kl4 h TRP 29 N 0.64 0.67 -0.21 2.24 7.01 -0.43 -1.94 115.95 123.93 2kl4 h TRP 29 Ca 0.13 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.11 2kl4 h TRP 29 Cb 0.45 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 2kl4 h TRP 29 CO 0.03 0.59 0.02 0.28 -2.79 0.00 0.00 178.44 176.57 2kl4 h VAL 30 N 0.55 0.88 0.00 2.65 2.07 -1.12 0.20 116.25 121.48 2kl4 h VAL 30 Ca 0.14 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2kl4 h VAL 30 Cb 0.21 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2kl4 h VAL 30 CO -0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2kl4 n ALA 31 N -2.31 1.82 0.00 1.67 0.00 -0.80 -1.50 120.51 119.39 2kl4 n ALA 31 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kl4 n ALA 31 Cb 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.86 3.00 0.20 0.00 0.00 -0.80 -4.80 120.51 117.24 2kl4 n ALA 32 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.55 2kl4 n ALA 32 Cb 0.02 0.43 0.41 0.00 0.00 0.00 0.00 19.45 20.31 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 0.00 0.88 -2.59 0.00 2.02 -0.59 -3.38 112.91 109.26 2kl4 h THR 33 Ca 0.00 -1.29 -0.60 0.00 0.77 0.00 0.00 66.41 65.29 2kl4 h THR 33 Cb 0.84 1.78 -0.40 0.00 -1.74 0.00 0.00 68.15 68.63 2kl4 h THR 33 CO 0.00 0.32 -0.81 0.49 0.37 0.00 0.00 175.52 175.88 2kl4 n PHE 34 N -3.64 0.97 1.11 3.16 3.72 -0.57 -4.98 117.46 117.23 2kl4 n PHE 34 Ca -0.01 -3.76 0.11 0.00 -0.05 0.00 0.00 57.45 53.75 2kl4 n PHE 34 Cb 0.44 -0.17 0.59 0.00 -0.94 0.00 0.00 39.48 39.40 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 2.26 0.36 0.17 -1.08 -0.04 -1.26 -2.63 135.00 132.78 2kl4 n PRO 35 Ca 0.26 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 2kl4 n PRO 35 Cb 0.43 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.94 3.54 2.35 -1.94 -3.46 115.58 112.13 2kl4 h ASN 36 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2kl4 h ASN 36 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2kl4 h ASN 36 CO 0.00 0.08 0.37 -0.76 -1.65 0.00 0.00 177.43 175.47 2kl4 s LEU 37 N -5.95 4.20 0.04 1.61 1.43 -1.08 -3.81 118.68 115.12 2kl4 s LEU 37 Ca 0.04 1.88 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 2kl4 s LEU 37 Cb 0.07 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2kl4 s LEU 37 CO 0.72 -0.27 -0.22 -1.61 0.23 0.00 0.00 176.35 175.20 2kl4 s GLU 38 N -2.42 1.48 0.75 1.70 0.41 -0.47 -4.92 118.70 115.24 2kl4 s GLU 38 Ca 0.55 -0.98 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 2kl4 s GLU 38 Cb -0.18 -1.61 0.04 0.00 -1.78 0.00 0.00 34.13 30.60 2kl4 s GLU 38 CO 0.23 0.41 1.08 -1.25 -0.49 0.00 0.00 175.26 175.24 2kl4 s PRO 39 N -1.19 2.48 -0.30 0.39 0.04 -1.26 -0.49 135.00 134.67 2kl4 s PRO 39 Ca 0.08 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.76 2kl4 s PRO 39 Cb -0.09 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.66 2kl4 s PRO 39 CO 0.02 -1.37 0.99 -1.14 0.04 0.00 0.00 177.00 175.53 2kl4 s GLN 40 N -5.11 0.29 -0.19 4.56 0.74 -1.14 -4.78 119.66 114.04 2kl4 s GLN 40 Ca 0.59 0.72 -0.15 0.00 0.05 0.00 0.00 55.36 56.58 2kl4 s GLN 40 Cb -0.14 0.44 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2kl4 s GLN 40 CO 0.55 -0.10 0.33 0.00 -0.55 0.00 0.00 175.29 175.51 2kl4 s MET 41 N 2.45 4.21 0.05 1.67 0.23 -1.26 -1.73 119.30 124.92 2kl4 s MET 41 Ca -0.02 0.11 0.02 0.00 -1.03 0.00 0.00 55.69 54.77 2kl4 s MET 41 Cb -0.06 -3.49 -0.03 0.00 -1.53 0.00 0.00 34.83 29.73 2kl4 s MET 41 CO -0.17 0.10 -0.08 0.21 -2.03 0.00 0.00 175.02 173.04 2kl4 s LYS 42 N 0.90 0.55 -1.92 3.16 2.47 0.01 -4.87 119.74 120.04 2kl4 s LYS 42 Ca 0.17 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.79 2kl4 s LYS 42 Cb -0.14 -0.28 0.00 0.00 -1.46 0.00 0.00 37.83 35.95 2kl4 s LYS 42 CO 0.06 0.05 0.00 0.91 0.16 0.00 0.00 175.35 176.52 2kl4 n TRP 43 N 1.37 -0.45 -0.83 4.03 7.02 -1.26 -0.22 117.44 127.10 2kl4 n TRP 43 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 2kl4 n TRP 43 Cb 0.55 -3.58 0.00 0.00 -2.42 0.00 0.00 31.31 25.86 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 -1.50 0.00 -4.75 -0.99 5.15 -1.26 -5.03 115.26 106.88 2kl4 n ASN 44 Ca -0.22 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.43 2kl4 n ASN 44 Cb 0.67 -0.67 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 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 -3.15 4.58 0.40 -0.44 -4.23 0.69 -5.01 115.64 108.47 2kl4 s THR 45 Ca 0.00 -0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.84 2kl4 s THR 45 Cb 0.00 -3.06 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 2kl4 s THR 45 CO 0.00 0.39 1.22 -2.16 -0.54 0.00 0.00 174.62 173.54 2kl4 s PRO 46 N -1.58 4.04 0.26 3.99 0.04 -1.24 -0.81 135.00 139.70 2kl4 s PRO 46 Ca 0.21 1.97 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 2kl4 s PRO 46 Cb -0.12 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 2kl4 s PRO 46 CO 0.11 -0.37 0.34 0.00 0.04 0.00 0.00 177.00 177.13 2kl4 s MET 47 N -2.23 1.53 0.03 4.56 0.23 -0.70 -2.75 119.30 119.96 2kl4 s MET 47 Ca 0.56 -1.56 -0.01 0.00 -1.03 0.00 0.00 55.69 53.65 2kl4 s MET 47 Cb -0.34 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 2kl4 s MET 47 CO 0.43 -0.59 -0.02 -0.06 -2.03 0.00 0.00 175.02 172.75 2kl4 s PHE 48 N -3.79 0.31 -0.17 3.16 0.40 -1.08 -2.87 117.98 113.94 2kl4 s PHE 48 Ca 0.32 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2kl4 s PHE 48 Cb 0.02 -0.23 0.05 0.00 0.51 0.00 0.00 43.02 43.37 2kl4 s PHE 48 CO 0.14 -0.24 -0.04 -1.54 0.70 0.00 0.00 175.22 174.25 2kl4 s SER 49 N -1.78 2.87 -0.86 1.36 1.04 0.36 -4.07 113.70 112.62 2kl4 s SER 49 Ca -0.11 -0.70 -0.25 0.00 0.48 0.00 0.00 55.95 55.37 2kl4 s SER 49 Cb -0.06 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 2kl4 s SER 49 CO -0.03 -0.21 1.90 0.21 0.98 0.00 0.00 173.24 176.10 2kl4 s ASN 50 N 1.66 5.23 -1.16 7.02 2.47 -1.26 -1.36 114.94 127.54 2kl4 s ASN 50 Ca 0.00 -0.56 -0.08 0.00 0.42 0.00 0.00 52.86 52.64 2kl4 s ASN 50 Cb -0.16 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.15 2kl4 s ASN 50 CO -0.07 -2.62 0.38 0.00 -3.72 0.00 0.00 177.10 171.06 2kl4 n GLN 51 N 8.91 -3.01 0.00 0.43 6.02 -1.25 -2.41 117.38 126.07 2kl4 n GLN 51 Ca 0.37 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 2kl4 n GLN 51 Cb 0.48 -5.08 0.00 0.00 1.02 0.00 0.00 30.24 26.66 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 -1.05 1.22 0.00 1.08 0.00 -1.23 -5.12 105.19 100.10 2kl4 n GLY 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.68 0.00 -1.41 2.61 -1.04 -1.01 -4.93 114.28 107.82 2kl4 n THR 53 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 2kl4 n THR 53 Cb 0.00 -1.41 0.06 0.00 -1.82 0.00 0.00 70.33 67.16 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 -1.98 0.00 1.03 -1.42 7.35 -1.26 -4.19 117.46 116.99 2kl4 n PHE 54 Ca 0.00 -0.48 0.02 0.00 -0.76 0.00 0.00 57.45 56.23 2kl4 n PHE 54 Cb 0.00 -0.09 0.12 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 -0.67 0.00 -3.60 -2.13 5.41 -1.26 -4.57 119.36 112.53 2kl4 n ILE 55 Ca 0.07 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.67 2kl4 n ILE 55 Cb 0.64 -0.36 -0.07 0.00 -0.71 0.00 0.00 39.64 39.13 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 0.10 1.39 2.07 -1.10 -4.26 121.20 117.39 2kl4 s ILE 56 Ca 0.06 -0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.04 2kl4 s ILE 56 Cb 0.03 -0.99 0.08 0.00 0.13 0.00 0.00 42.46 41.71 2kl4 s ILE 56 CO 0.05 -0.00 0.71 -0.83 -1.91 0.00 0.00 174.94 172.95 2kl4 s GLY 57 N -0.12 -0.56 0.25 1.50 0.00 -1.23 -2.63 107.32 104.52 2kl4 s GLY 57 Ca -0.03 0.68 -0.10 0.00 0.00 0.00 0.00 44.72 45.27 2kl4 s GLY 57 CO 0.04 0.23 0.42 -0.11 0.00 0.00 0.00 173.10 173.68 2kl4 s PHE 58 N -3.51 0.55 0.02 1.90 -0.12 -1.11 -3.99 117.98 111.72 2kl4 s PHE 58 Ca 0.02 -0.88 -0.20 0.00 -0.05 0.00 0.00 56.93 55.83 2kl4 s PHE 58 Cb -0.01 0.05 0.04 0.00 -0.63 0.00 0.00 43.02 42.47 2kl4 s PHE 58 CO -0.11 -0.95 0.44 0.45 -0.05 0.00 0.00 175.22 174.99 2kl4 s SER 59 N -3.06 -0.34 -0.05 1.98 0.15 -1.24 -3.69 113.70 107.46 2kl4 s SER 59 Ca 0.26 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.75 2kl4 s SER 59 Cb 0.01 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2kl4 s SER 59 CO 0.10 -0.61 1.04 0.42 1.20 0.00 0.00 173.24 175.39 2kl4 s THR 60 N -2.02 4.68 0.44 6.45 -4.23 -1.26 -2.91 115.64 116.78 2kl4 s THR 60 Ca -0.08 1.94 0.08 0.00 -1.18 0.00 0.00 61.69 62.45 2kl4 s THR 60 Cb -0.02 -4.24 0.01 0.00 1.34 0.00 0.00 72.50 69.59 2kl4 s THR 60 CO 0.01 0.07 0.55 -0.55 -0.54 0.00 0.00 174.62 174.16 2kl4 s SER 61 N 1.11 5.46 0.52 3.99 0.15 0.37 -4.99 113.70 120.31 2kl4 s SER 61 Ca 0.52 -0.55 0.35 0.00 0.70 0.00 0.00 55.95 56.97 2kl4 s SER 61 Cb -0.21 -0.51 1.87 0.00 -1.71 0.00 0.00 66.02 65.45 2kl4 s SER 61 CO 0.23 -0.81 2.07 0.50 1.20 0.00 0.00 173.24 176.43 2kl4 h LYS 62 N 0.66 0.00 0.00 5.44 1.63 -2.03 -3.04 116.57 119.23 2kl4 h LYS 62 Ca -0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2kl4 h LYS 62 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2kl4 h LYS 62 CO 0.47 0.00 0.00 1.58 -3.45 0.00 0.00 179.45 178.05 2kl4 n HIS 63 N -2.75 0.00 -3.53 1.91 -0.00 -1.26 -5.09 115.22 104.50 2kl4 n HIS 63 Ca -0.02 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.01 2kl4 n HIS 63 Cb 0.08 0.01 -0.05 0.00 -0.12 0.00 0.00 29.99 29.91 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 -0.52 -0.16 1.57 -3.43 -1.15 -1.79 115.29 109.81 2kl4 s HIS 64 Ca 0.00 0.66 -0.17 0.00 -0.80 0.00 0.00 55.06 54.74 2kl4 s HIS 64 Cb 0.00 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 2kl4 s HIS 64 CO 0.00 -0.67 0.45 -1.17 -2.00 0.00 0.00 174.74 171.35 2kl4 s LEU 65 N -1.86 4.22 -0.28 5.38 2.96 -1.00 -0.48 118.68 127.63 2kl4 s LEU 65 Ca -0.06 0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 54.44 2kl4 s LEU 65 Cb -0.01 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2kl4 s LEU 65 CO -0.00 -0.04 0.17 -0.44 -1.32 0.00 0.00 176.35 174.72 2kl4 s SER 66 N 0.79 5.85 -0.02 3.68 0.01 -1.15 -2.88 113.70 120.00 2kl4 s SER 66 Ca 0.23 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.46 2kl4 s SER 66 Cb -0.15 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 2kl4 s SER 66 CO 0.09 -0.06 -0.17 -0.69 0.41 0.00 0.00 173.24 172.82 2kl4 s VAL 67 N 1.73 1.32 0.00 3.43 1.01 0.72 -3.61 120.40 125.00 2kl4 s VAL 67 Ca 0.07 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 2kl4 s VAL 67 Cb -0.16 -1.10 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2kl4 s VAL 67 CO 0.10 0.37 0.83 -0.55 0.00 0.00 0.00 175.10 175.85 2kl4 s SER 68 N -0.32 -0.43 -0.10 3.32 0.15 -1.26 -0.78 113.70 114.28 2kl4 s SER 68 Ca 0.05 0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.71 2kl4 s SER 68 Cb -0.07 0.43 -0.08 0.00 -1.71 0.00 0.00 66.02 64.59 2kl4 s SER 68 CO -0.00 -0.66 0.30 1.55 1.20 0.00 0.00 173.24 175.63 2kl4 h PRO 69 N 2.15 -0.06 0.00 5.44 0.13 -1.89 -3.25 132.00 134.53 2kl4 h PRO 69 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2kl4 h PRO 69 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kl4 h PRO 69 CO 0.33 0.22 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2kl4 n GLU 70 N -4.78 0.00 0.00 0.86 1.02 -1.26 -2.73 120.64 113.75 2kl4 n GLU 70 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kl4 n GLU 70 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 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 -0.39 0.00 -0.08 3.49 0.28 -1.26 -4.76 120.64 117.91 2kl4 n GLU 71 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2kl4 n GLU 71 Cb 0.00 -0.43 0.41 0.00 1.43 0.00 0.00 31.44 32.86 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 1.03 0.00 3.84 2.10 -1.98 0.11 117.51 122.62 2kl4 h ILE 72 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 2kl4 h ILE 72 Cb 0.00 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 36.11 2kl4 h ILE 72 CO 0.00 0.11 0.13 1.23 -1.08 0.00 0.00 178.15 178.54 2kl4 h GLY 73 N 0.60 0.00 -0.88 8.18 0.00 -1.91 0.48 103.07 109.54 2kl4 h GLY 73 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2kl4 h GLY 73 CO -0.06 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.87 2kl4 n ILE 74 N -2.82 0.16 0.03 2.60 2.08 0.37 -3.95 119.36 117.83 2kl4 n ILE 74 Ca -0.02 -0.58 -0.01 0.00 0.56 0.00 0.00 62.75 62.70 2kl4 n ILE 74 Cb 0.19 1.10 -0.00 0.00 -0.75 0.00 0.00 39.64 40.17 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 0.55 1.02 -0.01 4.38 7.64 -0.40 -4.56 113.62 122.25 2kl4 n SER 75 Ca 0.07 0.13 -0.12 0.00 1.01 0.00 0.00 58.87 59.96 2kl4 n SER 75 Cb 0.28 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.06 -0.08 -0.10 1.43 5.75 -1.25 -3.21 115.11 117.59 2kl4 h GLN 76 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2kl4 h GLN 76 Cb 0.06 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.63 2kl4 h GLN 76 CO 0.00 0.51 0.00 1.19 -2.65 0.00 0.00 178.83 177.88 2kl4 n PHE 77 N -4.81 0.13 0.11 3.99 3.01 -1.20 -4.30 117.46 114.39 2kl4 n PHE 77 Ca -0.08 -0.06 0.03 0.00 1.01 0.00 0.00 57.45 58.34 2kl4 n PHE 77 Cb 0.31 0.00 0.40 0.00 -0.01 0.00 0.00 39.48 40.18 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 3.86 1.53 -0.25 4.37 0.00 -1.68 -2.66 119.26 124.44 2kl4 h ALA 78 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2kl4 h ALA 78 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kl4 h ALA 78 CO 0.00 0.34 -0.27 -0.44 0.00 0.00 0.00 179.25 178.87 2kl4 h ASP 79 N 0.26 0.67 -0.74 0.00 5.19 -1.82 0.42 116.42 120.41 2kl4 h ASP 79 Ca 0.06 -0.48 -0.04 0.00 -0.62 0.00 0.00 57.03 55.94 2kl4 h ASP 79 Cb 0.32 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 2kl4 h ASP 79 CO 0.02 1.02 0.31 0.00 -3.12 0.00 0.00 179.24 177.46 2kl4 h ALA 80 N 0.67 1.13 -0.03 3.45 0.00 -1.81 -1.45 119.26 121.22 2kl4 h ALA 80 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kl4 h ALA 80 Cb 0.84 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kl4 h ALA 80 CO 0.07 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.78 2kl4 h ILE 81 N 1.08 1.10 -0.08 0.00 2.04 -1.32 -3.25 117.51 117.09 2kl4 h ILE 81 Ca 0.25 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2kl4 h ILE 81 Cb 0.19 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2kl4 h ILE 81 CO -0.02 0.08 -0.10 0.00 0.00 0.00 0.00 178.15 178.11 2kl4 h ALA 82 N 0.90 -0.04 0.00 1.87 0.00 -0.24 -1.84 119.26 119.91 2kl4 h ALA 82 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kl4 h ALA 82 Cb 0.11 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kl4 h ALA 82 CO -0.00 -0.56 -0.01 1.96 0.00 0.00 0.00 179.25 180.64 2kl4 h GLN 83 N -0.13 0.00 0.00 0.00 4.20 -1.38 -0.90 115.11 116.89 2kl4 h GLN 83 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kl4 h GLN 83 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2kl4 h GLN 83 CO -0.16 0.01 -0.13 0.00 -0.67 0.00 0.00 178.83 177.88 2kl4 n ALA 84 N -2.19 2.62 -0.24 3.87 0.00 -0.69 -4.95 120.51 118.93 2kl4 n ALA 84 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kl4 n ALA 84 Cb 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2kl4 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl4 n GLY 85 N 1.49 0.87 3.44 0.00 0.00 -0.34 -5.06 105.19 105.59 2kl4 n GLY 85 Ca 0.07 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 3.18 -0.54 1.61 2.02 -1.25 -5.02 117.35 115.36 2kl4 s TYR 86 Ca 0.00 -0.61 -0.26 0.00 -0.37 0.00 0.00 57.07 55.83 2kl4 s TYR 86 Cb 0.00 -3.05 -0.08 0.00 -0.40 0.00 0.00 41.96 38.42 2kl4 s TYR 86 CO 0.00 -0.78 2.41 -1.54 -1.57 0.00 0.00 175.55 174.08 2kl4 s SER 87 N 2.20 4.33 0.91 2.29 1.04 -1.26 -4.68 113.70 118.53 2kl4 s SER 87 Ca 0.09 0.91 -0.08 0.00 0.48 0.00 0.00 55.95 57.35 2kl4 s SER 87 Cb -0.20 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.54 2kl4 s SER 87 CO 0.11 -3.06 0.80 0.00 0.98 0.00 0.00 173.24 172.07 2kl4 n ALA 88 N 16.42 -0.72 -3.44 5.32 0.00 -1.26 -3.87 120.51 132.96 2kl4 n ALA 88 Ca 0.38 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2kl4 n ALA 88 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.98 0.00 1.06 0.00 -2.24 0.61 -4.90 114.28 105.84 2kl4 n THR 89 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2kl4 n THR 89 Cb 0.37 -0.05 0.44 0.00 -2.10 0.00 0.00 70.33 68.99 2kl4 n THR 89 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2kl4 n LYS 90 N -0.03 0.12 0.00 -0.78 0.00 -1.26 -4.33 118.16 111.88 2kl4 n LYS 90 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2kl4 n LYS 90 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 2kl4 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kl4 n GLY 91 N 1.46 0.59 3.83 2.58 0.00 -1.26 -4.99 105.19 107.40 2kl4 n GLY 91 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.07 -0.06 0.34 0.99 0.05 -1.26 -4.77 118.68 113.90 2kl4 s LEU 92 Ca 0.00 -0.87 0.10 0.00 0.05 0.00 0.00 54.13 53.41 2kl4 s LEU 92 Cb 0.00 2.59 -0.06 0.00 -2.05 0.00 0.00 46.19 46.67 2kl4 s LEU 92 CO 0.00 -1.40 -0.08 0.72 -0.55 0.00 0.00 176.35 175.04 2kl4 s PHE 93 N -2.68 2.43 0.08 3.48 -0.12 0.04 -0.28 117.98 120.92 2kl4 s PHE 93 Ca 0.16 -0.47 -0.09 0.00 -0.05 0.00 0.00 56.93 56.48 2kl4 s PHE 93 Cb -0.04 -1.37 -0.00 0.00 -0.63 0.00 0.00 43.02 40.98 2kl4 s PHE 93 CO 0.08 0.58 0.18 1.03 -0.05 0.00 0.00 175.22 177.04 2kl4 s ARG 94 N -3.62 0.81 0.02 1.99 3.00 -1.25 -0.20 118.95 119.69 2kl4 s ARG 94 Ca 0.33 -0.90 0.06 0.00 0.00 0.00 0.00 55.73 55.21 2kl4 s ARG 94 Cb 0.01 0.33 -0.02 0.00 0.00 0.00 0.00 34.95 35.27 2kl4 s ARG 94 CO 0.17 -0.25 -0.18 0.42 0.00 0.00 0.00 175.30 175.46 2kl4 s ILE 95 N -3.61 1.43 0.58 1.52 1.09 -1.14 -4.27 121.20 116.81 2kl4 s ILE 95 Ca 0.03 -0.95 -0.17 0.00 -1.10 0.00 0.00 60.65 58.46 2kl4 s ILE 95 Cb 0.04 -1.22 -0.04 0.00 -1.06 0.00 0.00 42.46 40.17 2kl4 s ILE 95 CO -0.10 0.25 1.07 -2.16 -0.10 0.00 0.00 174.94 173.90 2kl4 s PRO 96 N -0.82 3.33 0.64 2.79 0.04 -1.26 -2.38 135.00 137.33 2kl4 s PRO 96 Ca 0.06 1.28 0.40 0.00 0.04 0.00 0.00 61.00 62.78 2kl4 s PRO 96 Cb -0.08 -2.03 2.20 0.00 0.04 0.00 0.00 34.50 34.63 2kl4 s PRO 96 CO 0.01 -0.81 2.32 -1.49 0.04 0.00 0.00 177.00 177.06 2kl4 h TRP 97 N 0.62 0.00 -0.34 0.56 -0.00 -1.72 -2.44 115.95 112.63 2kl4 h TRP 97 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.45 2kl4 h TRP 97 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.35 2kl4 h TRP 97 CO 0.57 0.00 0.14 -0.97 -0.00 0.00 0.00 178.44 178.19 2kl4 h ASN 98 N 0.00 0.18 -2.04 -3.49 -1.24 -1.92 -3.46 115.58 103.61 2kl4 h ASN 98 Ca -0.00 0.03 -0.54 0.00 0.71 0.00 0.00 56.30 56.50 2kl4 h ASN 98 Cb 0.03 -0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.01 2kl4 h ASN 98 CO 0.00 0.14 -0.56 -1.81 -1.29 0.00 0.00 177.43 173.91 2kl4 s ASP 99 N -5.38 4.84 0.42 1.15 1.01 -0.92 -5.10 116.67 112.69 2kl4 s ASP 99 Ca -0.13 -0.61 -0.22 0.00 0.71 0.00 0.00 52.55 52.29 2kl4 s ASP 99 Cb 0.11 -0.91 -0.10 0.00 1.01 0.00 0.00 42.92 43.03 2kl4 s ASP 99 CO 0.71 -0.16 0.98 -2.16 0.21 0.00 0.00 175.17 174.75 2kl4 s PRO 100 N -3.80 4.20 0.33 8.23 0.04 -1.26 -4.73 135.00 138.00 2kl4 s PRO 100 Ca 0.35 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 2kl4 s PRO 100 Cb -0.05 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 2kl4 s PRO 100 CO 0.22 -0.07 1.00 0.08 0.04 0.00 0.00 177.00 178.27 2kl4 s VAL 101 N -1.98 3.96 -1.17 -0.36 1.01 -1.26 -5.00 120.40 115.60 2kl4 s VAL 101 Ca 0.61 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 64.11 2kl4 s VAL 101 Cb -0.14 -3.94 0.18 0.00 0.00 0.00 0.00 36.38 32.48 2kl4 s VAL 101 CO 0.18 0.17 1.36 -2.28 0.00 0.00 0.00 175.10 174.53 2kl4 s HIS 102 N -1.52 3.56 0.41 5.22 2.46 -1.26 -4.86 115.29 119.30 2kl4 s HIS 102 Ca 0.51 -2.13 0.11 0.00 0.47 0.00 0.00 55.06 54.01 2kl4 s HIS 102 Cb -0.22 -4.25 0.93 0.00 -0.13 0.00 0.00 32.58 28.90 2kl4 s HIS 102 CO 0.28 -1.35 1.97 1.88 -2.47 0.00 0.00 174.74 175.05 2kl4 h TYR 103 N 7.26 0.55 0.47 3.88 -1.99 -1.99 -2.06 116.97 123.10 2kl4 h TYR 103 Ca 0.28 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.01 2kl4 h TYR 103 Cb 0.89 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.44 2kl4 h TYR 103 CO 1.07 0.27 -0.23 1.49 -0.00 0.00 0.00 178.16 180.76 2kl4 h GLU 104 N 0.53 -0.61 -0.35 4.88 4.81 -1.99 0.10 114.58 121.94 2kl4 h GLU 104 Ca 0.29 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2kl4 h GLU 104 Cb 0.44 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2kl4 h GLU 104 CO -0.09 -0.41 0.17 1.25 -0.73 0.00 0.00 179.01 179.21 2kl4 h LEU 105 N -0.64 0.25 -1.11 1.64 7.12 -1.82 -2.03 115.31 118.71 2kl4 h LEU 105 Ca -0.07 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.87 2kl4 h LEU 105 Cb 0.49 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2kl4 h LEU 105 CO 0.11 0.18 -0.44 0.17 -0.13 0.00 0.00 178.44 178.33 2kl4 h LEU 106 N 0.35 0.00 -0.32 2.25 8.10 -1.33 -2.94 115.31 121.42 2kl4 h LEU 106 Ca 0.15 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 58.03 2kl4 h LEU 106 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 2kl4 h LEU 106 CO -0.11 0.44 -0.22 0.07 -4.11 0.00 0.00 178.44 174.51 2kl4 h LYS 107 N 0.00 0.72 -0.94 0.17 2.10 -0.28 -2.71 116.57 115.63 2kl4 h LYS 107 Ca -0.00 -0.34 0.03 0.00 -2.00 0.00 0.00 60.65 58.34 2kl4 h LYS 107 Cb 0.79 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.06 2kl4 h LYS 107 CO 0.06 0.95 0.62 1.96 -2.00 0.00 0.00 179.45 181.04 2kl4 h GLN 108 N 0.49 1.16 0.15 0.07 4.20 -1.23 -1.92 115.11 118.02 2kl4 h GLN 108 Ca 0.06 -0.07 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 2kl4 h GLN 108 Cb 0.77 -0.26 0.02 0.00 0.30 0.00 0.00 27.48 28.32 2kl4 h GLN 108 CO 0.06 0.77 -1.28 0.00 -0.67 0.00 0.00 178.83 177.70 2kl4 h MET 109 N 1.19 0.50 0.06 1.46 -0.00 -1.57 -3.14 114.93 113.43 2kl4 h MET 109 Ca 0.37 -0.74 -0.00 0.00 -0.00 0.00 0.00 59.70 59.33 2kl4 h MET 109 Cb 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 2kl4 h MET 109 CO -0.11 1.34 -0.03 0.97 -0.00 0.00 0.00 176.91 179.08 2kl4 h ILE 110 N 0.19 1.26 -0.64 -0.10 -0.00 -1.16 -2.58 117.51 114.49 2kl4 h ILE 110 Ca -0.19 -1.23 0.06 0.00 -0.00 0.00 0.00 64.86 63.50 2kl4 h ILE 110 Cb 1.97 2.05 -0.05 0.00 -0.00 0.00 0.00 36.82 40.79 2kl4 h ILE 110 CO 0.23 0.30 0.35 -0.33 -0.00 0.00 0.00 178.15 178.70 2kl4 h GLU 111 N -0.65 0.63 -0.18 2.19 5.08 -1.53 -2.02 114.58 118.10 2kl4 h GLU 111 Ca -0.01 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2kl4 h GLU 111 Cb 0.55 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2kl4 h GLU 111 CO 0.01 0.42 -0.10 0.35 -1.00 0.00 0.00 179.01 178.69 2kl4 h PHE 112 N 0.65 -0.25 0.00 4.33 3.57 -1.56 -2.19 116.94 121.49 2kl4 h PHE 112 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2kl4 h PHE 112 Cb 0.18 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2kl4 h PHE 112 CO -0.08 -0.16 0.00 -1.71 -2.23 0.00 0.00 178.31 174.13 2kl4 n ASN 113 N -5.26 0.00 -0.11 0.41 5.15 -0.77 -0.72 115.26 113.96 2kl4 n ASN 113 Ca -0.02 -0.42 -0.25 0.00 -0.60 0.00 0.00 54.58 53.29 2kl4 n ASN 113 Cb 0.18 -0.05 -0.11 0.00 -0.53 0.00 0.00 39.78 39.26 2kl4 n ASN 113 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2kl4 n ILE 114 N -1.05 1.55 0.52 -1.44 5.41 -0.89 -4.18 119.36 119.28 2kl4 n ILE 114 Ca 0.12 -0.33 0.06 0.00 1.00 0.00 0.00 62.75 63.60 2kl4 n ILE 114 Cb 0.07 -1.85 0.30 0.00 -0.71 0.00 0.00 39.64 37.45 2kl4 n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kl4 n GLN 115 N -4.10 0.08 0.00 0.38 10.64 -0.45 -1.25 117.38 122.68 2kl4 n GLN 115 Ca -0.45 0.23 0.14 0.00 -1.83 0.00 0.00 57.00 55.09 2kl4 n GLN 115 Cb 0.86 -1.50 0.45 0.00 -0.86 0.00 0.00 30.24 29.19 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 -1.41 1.69 -0.45 2.61 2.03 0.10 -3.69 116.55 117.42 2kl4 n ASP 116 Ca 0.04 -1.53 0.05 0.00 0.52 0.00 0.00 54.79 53.87 2kl4 n ASP 116 Cb 0.13 0.01 0.09 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.29 1.68 0.00 -0.67 4.76 -0.38 -5.05 118.16 118.79 2kl4 n LYS 117 Ca 0.18 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.08 2kl4 n LYS 117 Cb 0.39 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 2kl4 n LYS 117 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42