#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzn s ALA 2 N 0.00 3.09 0.13 3.17 0.00 -1.26 -5.09 121.76 121.80 2kzn s ALA 2 Ca 0.00 -3.15 0.10 0.00 0.00 0.00 0.00 51.96 48.92 2kzn s ALA 2 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 2kzn s ALA 2 CO 0.00 -2.03 -0.24 0.71 0.00 0.00 0.00 175.76 174.20 2kzn s TYR 3 N -0.18 2.38 0.42 0.00 2.02 -1.26 -5.13 117.35 115.61 2kzn s TYR 3 Ca 0.17 -0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 56.27 2kzn s TYR 3 Cb -0.26 -1.27 -0.09 0.00 -0.40 0.00 0.00 41.96 39.94 2kzn s TYR 3 CO 0.00 0.36 1.42 -0.80 -1.57 0.00 0.00 175.55 174.96 2kzn s ASN 4 N -2.12 6.08 0.55 2.29 -0.87 -1.26 -4.80 114.94 114.81 2kzn s ASN 4 Ca 0.16 2.91 0.30 0.00 -1.57 0.00 0.00 52.86 54.66 2kzn s ASN 4 Cb -0.10 -2.66 1.60 0.00 -0.02 0.00 0.00 41.25 40.07 2kzn s ASN 4 CO 0.08 -1.04 2.12 0.11 -2.57 0.00 0.00 177.10 175.80 2kzn h LYS 5 N 2.57 0.00 0.80 -0.60 1.57 -2.00 -0.13 116.57 118.79 2kzn h LYS 5 Ca -0.51 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2kzn h LYS 5 Cb 1.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.57 2kzn h LYS 5 CO 0.62 0.08 -0.38 0.93 -0.57 0.00 0.00 179.45 180.13 2kzn h GLU 6 N 0.00 -1.03 0.00 3.15 4.39 -1.99 -2.05 114.58 117.05 2kzn h GLU 6 Ca -0.00 0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2kzn h GLU 6 Cb 0.28 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kzn h GLU 6 CO 0.01 -0.69 -0.15 0.93 -1.16 0.00 0.00 179.01 177.95 2kzn h GLU 7 N -1.23 0.00 0.36 2.33 4.39 -1.72 -0.70 114.58 118.02 2kzn h GLU 7 Ca -0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2kzn h GLU 7 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2kzn h GLU 7 CO 0.18 0.15 -0.17 -0.22 -1.16 0.00 0.00 179.01 177.79 2kzn h LYS 8 N 0.00 -0.47 0.00 2.33 1.63 -1.09 -3.08 116.57 115.90 2kzn h LYS 8 Ca -0.00 0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 2kzn h LYS 8 Cb 0.28 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2kzn h LYS 8 CO 0.02 -0.18 -0.37 0.82 -3.45 0.00 0.00 179.45 176.28 2kzn h ILE 9 N -0.74 1.27 0.71 2.00 1.08 -0.71 -1.99 117.51 119.13 2kzn h ILE 9 Ca -0.05 -1.29 -0.04 0.00 -0.39 0.00 0.00 64.86 63.10 2kzn h ILE 9 Cb 0.51 1.69 0.01 0.00 -3.07 0.00 0.00 36.82 35.96 2kzn h ILE 9 CO 0.08 0.37 -0.34 0.11 -0.69 0.00 0.00 178.15 177.68 2kzn h LYS 10 N 0.00 -0.92 0.01 2.37 1.79 -1.18 -0.11 116.57 118.53 2kzn h LYS 10 Ca -0.00 0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kzn h LYS 10 Cb 0.66 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2kzn h LYS 10 CO 0.05 -0.59 -0.01 0.66 -1.08 0.00 0.00 179.45 178.48 2kzn h SER 11 N -1.11 -0.02 -0.27 0.86 4.64 -1.54 -2.73 113.55 113.39 2kzn h SER 11 Ca -0.10 -0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 2kzn h SER 11 Cb 0.76 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.78 2kzn h SER 11 CO 0.16 0.04 -0.24 0.25 -0.87 0.00 0.00 176.83 176.17 2kzn h LEU 12 N -0.07 -0.77 -0.97 5.97 5.85 -1.40 -2.99 115.31 120.93 2kzn h LEU 12 Ca -0.00 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2kzn h LEU 12 Cb 0.06 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2kzn h LEU 12 CO 0.00 -0.27 -0.42 0.78 -0.34 0.00 0.00 178.44 178.19 2kzn h ASN 13 N -0.23 0.00 -0.77 1.25 -0.26 -0.97 -1.15 115.58 113.44 2kzn h ASN 13 Ca 0.14 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.99 2kzn h ASN 13 Cb 0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.66 2kzn h ASN 13 CO -0.40 0.42 0.51 0.03 -1.06 0.00 0.00 177.43 176.93 2kzn h ARG 14 N 0.00 0.62 0.00 0.81 3.08 -1.33 0.15 114.38 117.72 2kzn h ARG 14 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2kzn h ARG 14 Cb 0.90 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2kzn h ARG 14 CO 0.05 0.41 -0.06 1.98 -1.07 0.00 0.00 179.97 181.29 2kzn h MET 15 N 0.64 0.00 -0.35 0.04 4.05 -1.50 -3.33 114.93 114.48 2kzn h MET 15 Ca 0.36 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.63 2kzn h MET 15 Cb 0.55 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2kzn h MET 15 CO -0.14 0.17 -0.40 1.96 0.23 0.00 0.00 176.91 178.73 2kzn h GLN 16 N -1.00 0.87 -0.79 0.39 4.20 -1.09 -1.70 115.11 115.98 2kzn h GLN 16 Ca -0.01 -0.46 0.11 0.00 0.06 0.00 0.00 58.65 58.35 2kzn h GLN 16 Cb 0.21 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 2kzn h GLN 16 CO -0.00 1.11 0.42 -0.92 -0.67 0.00 0.00 178.83 178.77 2kzn h TYR 17 N 0.71 0.76 -0.48 2.96 3.20 -0.93 -0.37 116.97 122.82 2kzn h TYR 17 Ca 0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 2kzn h TYR 17 Cb 0.98 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2kzn h TYR 17 CO 0.06 0.27 0.06 1.49 -1.64 0.00 0.00 178.16 178.40 2kzn h GLU 18 N 0.69 0.75 0.43 1.82 4.81 -1.49 -2.96 114.58 118.63 2kzn h GLU 18 Ca 0.40 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2kzn h GLU 18 Cb 0.43 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2kzn h GLU 18 CO -0.28 0.72 -0.21 0.28 -0.73 0.00 0.00 179.01 178.80 2kzn h VAL 19 N 0.72 0.36 -1.07 0.32 2.07 -0.57 -3.07 116.25 115.01 2kzn h VAL 19 Ca 0.15 -0.58 0.31 0.00 0.82 0.00 0.00 66.70 67.40 2kzn h VAL 19 Cb 0.35 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2kzn h VAL 19 CO 0.01 0.07 0.79 0.71 0.02 0.00 0.00 177.57 179.16 2kzn h THR 20 N -1.00 0.44 0.00 2.57 1.35 -1.12 0.26 112.91 115.41 2kzn h THR 20 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 2kzn h THR 20 Cb 0.56 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2kzn h THR 20 CO 0.10 0.00 -0.06 1.56 -0.25 0.00 0.00 175.52 176.86 2kzn h GLN 21 N 0.00 0.00 0.00 4.72 1.08 -1.41 -3.13 115.11 116.37 2kzn h GLN 21 Ca 0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.71 2kzn h GLN 21 Cb 2.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.51 2kzn h GLN 21 CO -0.01 0.06 0.00 -1.71 -0.95 0.00 0.00 178.83 176.23 2kzn n ASN 22 N -3.34 0.15 -3.01 1.46 5.15 -0.39 -5.00 115.26 110.28 2kzn n ASN 22 Ca -0.01 -0.48 -0.22 0.00 -0.60 0.00 0.00 54.58 53.27 2kzn n ASN 22 Cb 0.23 0.42 0.04 0.00 -0.53 0.00 0.00 39.78 39.94 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2kzn n ASN 23 N -0.42 -6.04 -3.31 1.20 3.02 0.78 -5.02 115.26 105.47 2kzn n ASN 23 Ca 0.00 -0.32 -0.22 0.00 -0.03 0.00 0.00 54.58 54.00 2kzn n ASN 23 Cb 0.03 -4.82 0.18 0.00 -0.61 0.00 0.00 39.78 34.56 2kzn n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kzn n GLY 24 N -1.59 -2.50 3.06 7.41 0.00 -0.38 -4.89 105.19 106.31 2kzn n GLY 24 Ca -0.09 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 2kzn n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kzn s THR 25 N -2.59 0.59 -0.02 2.61 -1.32 -1.26 -4.43 115.64 109.22 2kzn s THR 25 Ca 0.54 -1.03 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 2kzn s THR 25 Cb -0.05 -0.63 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 2kzn s THR 25 CO 0.41 -0.32 1.01 -1.61 -2.21 0.00 0.00 174.62 171.89 2kzn s GLU 26 N -1.47 4.52 0.17 7.08 2.02 -1.26 -5.00 118.70 124.75 2kzn s GLU 26 Ca -0.08 1.44 -0.32 0.00 0.02 0.00 0.00 54.97 56.03 2kzn s GLU 26 Cb -0.09 -3.47 -0.11 0.00 0.10 0.00 0.00 34.13 30.56 2kzn s GLU 26 CO 0.01 -0.13 1.66 -2.14 0.02 0.00 0.00 175.26 174.67 2kzn s PRO 27 N 1.27 4.17 -1.19 0.39 0.02 -1.26 -4.89 135.00 133.51 2kzn s PRO 27 Ca 0.52 2.48 -0.23 0.00 0.02 0.00 0.00 61.00 63.79 2kzn s PRO 27 Cb -0.21 -3.20 -0.09 0.00 0.02 0.00 0.00 34.50 31.03 2kzn s PRO 27 CO 0.26 -0.70 1.93 -1.25 -0.33 0.00 0.00 177.00 176.91 2kzn s PRO 28 N 1.42 2.52 0.00 5.54 0.04 -1.26 -4.45 135.00 138.81 2kzn s PRO 28 Ca 0.73 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 60.57 2kzn s PRO 28 Cb -0.46 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 28.83 2kzn s PRO 28 CO 0.32 -3.97 0.68 1.19 0.04 0.00 0.00 177.00 175.26 2kzn n PHE 29 N 14.29 0.00 -0.06 0.56 3.72 -1.26 -4.62 117.46 130.09 2kzn n PHE 29 Ca 0.45 -0.21 -0.06 0.00 -0.05 0.00 0.00 57.45 57.58 2kzn n PHE 29 Cb 0.47 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 2kzn n PHE 29 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2kzn h GLN 30 N 0.00 0.00 -3.74 -1.08 7.50 -1.99 -3.49 115.11 112.31 2kzn h GLN 30 Ca 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.07 2kzn h GLN 30 Cb 0.28 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.67 2kzn h GLN 30 CO 0.00 0.29 -0.33 1.21 -1.50 0.00 0.00 178.83 178.49 2kzn s ASN 31 N -5.85 0.07 -0.09 1.46 3.84 -1.26 -5.06 114.94 108.05 2kzn s ASN 31 Ca -0.10 -0.59 -0.08 0.00 0.21 0.00 0.00 52.86 52.29 2kzn s ASN 31 Cb 0.01 0.35 -0.28 0.00 -0.55 0.00 0.00 41.25 40.78 2kzn s ASN 31 CO 0.24 -0.73 0.50 1.05 -2.79 0.00 0.00 177.10 175.37 2kzn h GLU 32 N 2.74 0.32 0.00 0.43 4.11 -1.95 -3.42 114.58 116.82 2kzn h GLU 32 Ca -0.34 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 58.54 2kzn h GLU 32 Cb 1.21 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2kzn h GLU 32 CO 0.55 1.26 0.00 0.66 0.07 0.00 0.00 179.01 181.55 2kzn n TYR 33 N -3.53 0.00 1.16 2.06 4.01 -1.26 -2.82 117.16 116.78 2kzn n TYR 33 Ca -0.29 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.57 2kzn n TYR 33 Cb 1.06 0.00 0.60 0.00 -0.31 0.00 0.00 39.34 40.69 2kzn n TYR 33 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 2kzn n TRP 34 N -0.85 0.00 0.63 -0.72 4.27 -1.26 -2.75 117.44 116.76 2kzn n TRP 34 Ca 0.13 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.86 2kzn n TRP 34 Cb 0.06 -0.23 0.46 0.00 -1.36 0.00 0.00 31.31 30.24 2kzn n TRP 34 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 2kzn n ASP 35 N -1.23 0.50 -4.69 -0.67 5.75 -1.13 -4.77 116.55 110.32 2kzn n ASP 35 Ca 0.12 0.57 -0.44 0.00 -0.01 0.00 0.00 54.79 55.04 2kzn n ASP 35 Cb 0.16 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 2kzn n ASP 35 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kzn n HIS 36 N -2.00 2.54 -1.62 2.11 8.25 -1.11 -4.89 115.22 118.50 2kzn n HIS 36 Ca 0.05 -0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.05 2kzn n HIS 36 Cb 0.33 -2.71 0.06 0.00 1.12 0.00 0.00 29.99 28.79 2kzn n HIS 36 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kzn n LYS 37 N 5.59 2.77 -2.40 -0.41 5.02 -1.26 -4.88 118.16 122.59 2kzn n LYS 37 Ca 0.19 -3.45 -0.32 0.00 -2.02 0.00 0.00 58.31 52.70 2kzn n LYS 37 Cb 0.35 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2kzn s GLU 38 N -3.92 3.86 0.27 1.97 2.02 -1.26 -5.01 118.70 116.64 2kzn s GLU 38 Ca 0.59 1.05 -0.29 0.00 0.02 0.00 0.00 54.97 56.34 2kzn s GLU 38 Cb 0.48 -2.12 -0.10 0.00 0.10 0.00 0.00 34.13 32.49 2kzn s GLU 38 CO -0.18 -0.35 1.26 -1.83 0.02 0.00 0.00 175.26 174.18 2kzn s GLU 39 N -3.89 4.43 0.00 1.61 4.04 -1.26 -4.70 118.70 118.93 2kzn s GLU 39 Ca 0.61 2.06 0.00 0.00 0.04 0.00 0.00 54.97 57.68 2kzn s GLU 39 Cb -0.11 -3.14 0.00 0.00 0.02 0.00 0.00 34.13 30.90 2kzn s GLU 39 CO 0.29 -0.11 0.00 0.41 -1.84 0.00 0.00 175.26 174.00 2kzn n GLY 40 N 1.41 -0.10 3.36 -3.83 0.00 -1.26 -1.76 105.19 103.02 2kzn n GLY 40 Ca 0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2kzn n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzn s LEU 41 N 0.00 1.76 -0.05 0.99 1.43 0.01 -2.50 118.68 120.32 2kzn s LEU 41 Ca 0.00 -1.48 0.01 0.00 -1.03 0.00 0.00 54.13 51.63 2kzn s LEU 41 Cb 0.00 0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.25 2kzn s LEU 41 CO 0.00 -0.79 -0.04 -0.72 0.23 0.00 0.00 176.35 175.03 2kzn s TYR 42 N -3.58 0.73 0.19 0.29 -0.85 -0.75 -1.36 117.35 112.02 2kzn s TYR 42 Ca 0.35 -0.20 0.08 0.00 -0.52 0.00 0.00 57.07 56.78 2kzn s TYR 42 Cb 0.06 -0.67 -0.04 0.00 0.38 0.00 0.00 41.96 41.69 2kzn s TYR 42 CO 0.15 -0.20 -0.17 0.14 -1.52 0.00 0.00 175.55 173.96 2kzn s VAL 43 N 0.99 1.83 -0.39 -3.49 -7.23 -0.37 -2.94 120.40 108.80 2kzn s VAL 43 Ca -0.10 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 57.76 2kzn s VAL 43 Cb -0.14 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.85 2kzn s VAL 43 CO -0.00 -0.44 0.78 1.51 -0.31 0.00 0.00 175.10 176.64 2kzn s ASP 44 N -3.00 6.50 0.45 4.85 -4.77 -1.22 -1.48 116.67 117.99 2kzn s ASP 44 Ca 0.20 0.20 0.14 0.00 -3.30 0.00 0.00 52.55 49.78 2kzn s ASP 44 Cb -0.04 -2.39 1.05 0.00 -1.09 0.00 0.00 42.92 40.45 2kzn s ASP 44 CO 0.07 -0.79 2.01 0.40 0.70 0.00 0.00 175.17 177.56 2kzn h ILE 45 N 5.83 0.93 -1.02 2.11 2.04 -1.12 0.59 117.51 126.86 2kzn h ILE 45 Ca -0.25 -0.13 0.26 0.00 1.00 0.00 0.00 64.86 65.74 2kzn h ILE 45 Cb 1.09 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.62 2kzn h ILE 45 CO 0.93 0.07 0.66 -0.37 0.00 0.00 0.00 178.15 179.43 2kzn h VAL 46 N 0.36 0.55 0.00 1.67 -1.51 -1.93 -2.83 116.25 112.56 2kzn h VAL 46 Ca 0.22 -0.14 -0.06 0.00 -1.23 0.00 0.00 66.70 65.49 2kzn h VAL 46 Cb 0.42 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2kzn h VAL 46 CO -0.05 0.07 -1.43 -1.20 -1.23 0.00 0.00 177.57 173.72 2kzn n SER 47 N -4.61 3.15 -3.54 4.19 7.64 -0.88 -5.02 113.62 114.55 2kzn n SER 47 Ca 0.25 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2kzn n SER 47 Cb 0.85 1.06 0.07 0.00 -1.01 0.00 0.00 64.21 65.18 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kzn n GLY 48 N 2.27 -0.54 3.30 0.23 0.00 0.20 -5.05 105.19 105.59 2kzn n GLY 48 Ca -0.06 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2kzn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kzn s LYS 49 N -6.26 1.52 0.04 1.61 1.02 -1.23 -4.94 119.74 111.51 2kzn s LYS 49 Ca 0.56 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 2kzn s LYS 49 Cb -0.25 -1.70 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 2kzn s LYS 49 CO 0.69 0.43 1.80 -1.25 -0.92 0.00 0.00 175.35 176.10 2kzn s PRO 50 N -1.32 4.16 -0.23 -1.68 0.04 -1.26 -3.45 135.00 131.26 2kzn s PRO 50 Ca 0.09 2.46 -0.17 0.00 0.04 0.00 0.00 61.00 63.42 2kzn s PRO 50 Cb -0.09 -3.88 -0.13 0.00 0.04 0.00 0.00 34.50 30.44 2kzn s PRO 50 CO 0.02 -0.86 -0.12 1.28 0.04 0.00 0.00 177.00 177.37 2kzn n LEU 51 N 6.62 1.90 -3.58 -3.56 4.77 -1.15 -4.71 117.00 117.29 2kzn n LEU 51 Ca 0.18 0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 56.51 2kzn n LEU 51 Cb 0.41 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2kzn n LEU 51 CO 0.65 0.26 0.96 0.12 -1.33 0.00 0.00 177.39 178.05 2kzn s PHE 52 N -2.47 -0.16 0.38 -1.77 5.36 -1.22 -0.45 117.98 117.66 2kzn s PHE 52 Ca -0.31 0.09 -0.24 0.00 -0.96 0.00 0.00 56.93 55.51 2kzn s PHE 52 Cb 0.09 0.52 -0.10 0.00 -0.34 0.00 0.00 43.02 43.19 2kzn s PHE 52 CO 0.49 -0.26 0.99 -0.08 -1.46 0.00 0.00 175.22 174.90 2kzn s THR 53 N -2.53 4.02 -0.43 0.12 -1.32 -1.26 -1.82 115.64 112.42 2kzn s THR 53 Ca 0.09 1.52 0.26 0.00 -1.21 0.00 0.00 61.69 62.35 2kzn s THR 53 Cb -0.01 -3.77 0.31 0.00 -1.51 0.00 0.00 72.50 67.52 2kzn s THR 53 CO -0.05 -0.02 1.77 -1.28 -2.21 0.00 0.00 174.62 172.82 2kzn h SER 54 N 2.57 0.00 1.01 8.08 0.87 -1.70 -3.23 113.55 121.15 2kzn h SER 54 Ca -0.48 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 2kzn h SER 54 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2kzn h SER 54 CO 0.63 0.00 -0.33 0.11 -0.53 0.00 0.00 176.83 176.71 2kzn h LYS 55 N 0.00 0.00 -0.28 2.24 1.57 -1.89 -3.21 116.57 115.00 2kzn h LYS 55 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2kzn h LYS 55 Cb 0.64 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.79 2kzn h LYS 55 CO 0.00 0.33 -0.60 -0.25 -0.57 0.00 0.00 179.45 178.36 2kzn n ASP 56 N -3.42 2.89 -4.91 0.86 8.00 -1.22 -5.03 116.55 113.73 2kzn n ASP 56 Ca 0.00 -3.85 -0.29 0.00 0.71 0.00 0.00 54.79 51.37 2kzn n ASP 56 Cb 0.52 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 2kzn n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kzn s LYS 57 N -3.37 3.60 -0.08 -1.24 -2.85 -1.21 -4.95 119.74 109.63 2kzn s LYS 57 Ca 0.43 -0.12 0.04 0.00 -1.00 0.00 0.00 55.97 55.32 2kzn s LYS 57 Cb 0.39 -2.74 -0.01 0.00 -2.06 0.00 0.00 37.83 33.41 2kzn s LYS 57 CO -0.03 0.31 -0.20 -0.59 0.10 0.00 0.00 175.35 174.94 2kzn s PHE 58 N -1.95 2.60 0.36 1.78 -0.71 -1.26 -5.07 117.98 113.73 2kzn s PHE 58 Ca 0.42 -0.62 -0.28 0.00 -1.04 0.00 0.00 56.93 55.40 2kzn s PHE 58 Cb -0.11 -1.68 -0.11 0.00 -1.21 0.00 0.00 43.02 39.91 2kzn s PHE 58 CO 0.29 -0.15 1.43 -0.51 -1.34 0.00 0.00 175.22 174.94 2kzn s ASP 59 N -0.10 6.48 -0.22 1.98 1.01 -1.26 -4.87 116.67 119.70 2kzn s ASP 59 Ca -0.04 2.93 -0.29 0.00 0.71 0.00 0.00 52.55 55.86 2kzn s ASP 59 Cb -0.14 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.11 2kzn s ASP 59 CO 0.04 -0.77 1.44 -0.55 0.21 0.00 0.00 175.17 175.55 2kzn s SER 60 N -0.21 6.62 0.00 0.27 0.15 -1.26 -4.87 113.70 114.40 2kzn s SER 60 Ca 0.52 1.57 0.15 0.00 0.70 0.00 0.00 55.95 58.89 2kzn s SER 60 Cb -0.44 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 61.90 2kzn s SER 60 CO 0.59 -1.06 1.42 0.00 1.20 0.00 0.00 173.24 175.39 2kzn n GLN 61 N 7.27 1.59 0.00 5.44 10.64 -1.26 -3.91 117.38 137.14 2kzn n GLN 61 Ca 0.16 -0.90 0.00 0.00 -1.83 0.00 0.00 57.00 54.43 2kzn n GLN 61 Cb 0.45 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kzn n GLY 63 N -0.03 1.98 3.66 0.00 0.00 -1.25 -4.94 105.19 104.60 2kzn n GLY 63 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2kzn n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kzn s TRP 64 N 0.00 3.35 -0.26 1.61 0.51 -1.26 -4.84 118.94 118.05 2kzn s TRP 64 Ca 0.00 0.63 -0.38 0.00 -2.12 0.00 0.00 56.10 54.23 2kzn s TRP 64 Cb 0.00 -2.58 -0.14 0.00 -0.81 0.00 0.00 33.47 29.95 2kzn s TRP 64 CO 0.00 -0.07 1.91 -2.30 -0.51 0.00 0.00 176.95 175.98 2kzn n PRO 65 N 4.70 1.35 -4.56 4.98 -0.02 -1.18 -4.77 135.00 135.50 2kzn n PRO 65 Ca -0.07 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 2kzn n PRO 65 Cb 0.51 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 2kzn n PRO 65 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kzn s SER 66 N 4.76 4.53 0.17 2.55 0.15 -1.25 -1.23 113.70 123.38 2kzn s SER 66 Ca 1.01 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 2kzn s SER 66 Cb -0.93 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2kzn s SER 66 CO 0.58 0.20 0.10 -0.36 1.20 0.00 0.00 173.24 174.96 2kzn s PHE 67 N 0.16 1.04 -0.09 3.44 0.08 -0.49 -4.91 117.98 117.22 2kzn s PHE 67 Ca -0.04 -1.32 0.16 0.00 0.12 0.00 0.00 56.93 55.85 2kzn s PHE 67 Cb -0.14 -0.53 -0.23 0.00 -0.57 0.00 0.00 43.02 41.55 2kzn s PHE 67 CO 0.04 -0.59 0.22 0.25 -0.10 0.00 0.00 175.22 175.03 2kzn n THR 68 N -0.20 0.52 -3.22 0.64 -2.24 -1.26 -0.53 114.28 108.00 2kzn n THR 68 Ca -0.01 -0.52 -0.01 0.00 -2.27 0.00 0.00 64.05 61.23 2kzn n THR 68 Cb 0.65 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2kzn n THR 68 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kzn s LYS 69 N -2.79 0.60 0.48 -0.78 -2.85 -1.26 -4.56 119.74 108.57 2kzn s LYS 69 Ca -0.07 0.14 0.01 0.00 -1.00 0.00 0.00 55.97 55.05 2kzn s LYS 69 Cb 0.08 0.01 0.01 0.00 -2.06 0.00 0.00 37.83 35.87 2kzn s LYS 69 CO 0.68 -1.09 0.69 -1.25 0.10 0.00 0.00 175.35 174.47 2kzn s PRO 70 N 2.41 2.88 0.07 1.78 0.04 -1.26 -4.99 135.00 135.93 2kzn s PRO 70 Ca 0.12 -0.65 -0.36 0.00 0.04 0.00 0.00 61.00 60.15 2kzn s PRO 70 Cb -0.09 -2.56 -0.15 0.00 0.04 0.00 0.00 34.50 31.74 2kzn s PRO 70 CO -0.20 -0.40 1.50 -0.89 0.04 0.00 0.00 177.00 177.05 2kzn n ILE 71 N -2.13 0.07 0.32 0.56 5.41 0.40 -4.89 119.36 119.09 2kzn n ILE 71 Ca 0.04 -0.01 0.15 0.00 1.00 0.00 0.00 62.75 63.92 2kzn n ILE 71 Cb 0.58 -1.21 0.66 0.00 -0.71 0.00 0.00 39.64 38.96 2kzn n ILE 71 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2kzn h GLU 72 N 5.64 0.00 -0.02 0.38 4.39 -1.90 -3.01 114.58 120.07 2kzn h GLU 72 Ca -0.47 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.08 2kzn h GLU 72 Cb 1.30 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2kzn h GLU 72 CO 0.85 0.00 -0.58 0.93 -1.16 0.00 0.00 179.01 179.05 2kzn h GLU 73 N 0.00 0.42 0.00 2.33 4.39 -1.94 -3.34 114.58 116.44 2kzn h GLU 73 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2kzn h GLU 73 Cb 0.31 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2kzn h GLU 73 CO 0.00 1.09 -0.89 0.39 -1.16 0.00 0.00 179.01 178.43 2kzn n GLU 74 N -4.23 0.09 -4.15 2.33 -0.58 -1.17 -4.83 120.64 108.10 2kzn n GLU 74 Ca -0.10 -0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 2kzn n GLU 74 Cb 0.66 -1.52 -0.16 0.00 -0.57 0.00 0.00 31.44 29.85 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kzn s VAL 75 N -3.06 2.33 -0.09 2.62 1.01 -1.15 -1.56 120.40 120.50 2kzn s VAL 75 Ca 0.07 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 2kzn s VAL 75 Cb 0.16 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2kzn s VAL 75 CO 0.81 0.52 -0.06 -1.61 0.00 0.00 0.00 175.10 174.76 2kzn s GLU 76 N 1.26 1.22 -0.36 2.72 2.02 -1.10 -4.70 118.70 119.76 2kzn s GLU 76 Ca 0.04 -0.16 -0.26 0.00 0.02 0.00 0.00 54.97 54.61 2kzn s GLU 76 Cb -0.14 -1.32 0.01 0.00 0.10 0.00 0.00 34.13 32.78 2kzn s GLU 76 CO -0.10 -0.23 0.94 -1.83 0.02 0.00 0.00 175.26 174.06 2kzn s GLU 77 N 1.59 3.87 -0.40 1.61 1.03 -1.26 -2.46 118.70 122.67 2kzn s GLU 77 Ca 0.01 0.63 -0.11 0.00 0.03 0.00 0.00 54.97 55.54 2kzn s GLU 77 Cb -0.13 -3.79 0.05 0.00 -0.80 0.00 0.00 34.13 29.46 2kzn s GLU 77 CO -0.05 -0.94 0.25 0.21 -1.33 0.00 0.00 175.26 173.39 2kzn s LYS 78 N 3.49 2.74 0.26 -4.83 2.36 0.06 -4.95 119.74 118.86 2kzn s LYS 78 Ca 0.39 -1.27 -0.25 0.00 -2.55 0.00 0.00 55.97 52.29 2kzn s LYS 78 Cb -0.12 -3.79 -0.09 0.00 -1.05 0.00 0.00 37.83 32.78 2kzn s LYS 78 CO 0.18 -0.84 0.86 -1.17 1.55 0.00 0.00 175.35 175.94 2kzn s LEU 79 N 1.51 4.44 0.25 5.43 2.96 -1.26 -1.09 118.68 130.91 2kzn s LEU 79 Ca 0.02 1.72 -0.10 0.00 -0.22 0.00 0.00 54.13 55.56 2kzn s LEU 79 Cb -0.21 -3.72 -0.01 0.00 0.50 0.00 0.00 46.19 42.75 2kzn s LEU 79 CO 0.05 0.04 0.41 1.51 -1.32 0.00 0.00 176.35 177.04 2kzn s ASP 80 N -1.47 0.05 -0.29 3.68 -4.77 0.10 -4.99 116.67 108.99 2kzn s ASP 80 Ca 0.44 -1.07 0.21 0.00 -3.30 0.00 0.00 52.55 48.83 2kzn s ASP 80 Cb -0.20 0.56 0.49 0.00 -1.09 0.00 0.00 42.92 42.67 2kzn s ASP 80 CO 0.25 -1.10 1.05 0.41 0.70 0.00 0.00 175.17 176.47 2kzn n THR 81 N -0.38 1.14 -0.06 2.11 -1.04 -1.26 -1.31 114.28 113.49 2kzn n THR 81 Ca -0.01 -2.95 -0.14 0.00 -2.04 0.00 0.00 64.05 58.91 2kzn n THR 81 Cb 0.63 1.05 -0.07 0.00 -1.82 0.00 0.00 70.33 70.12 2kzn n THR 81 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2kzn h SER 82 N 2.75 0.59 -2.77 8.00 0.87 -1.93 -3.39 113.55 117.67 2kzn h SER 82 Ca -0.13 -0.55 -0.63 0.00 -1.23 0.00 0.00 61.79 59.25 2kzn h SER 82 Cb 1.23 -0.17 -0.41 0.00 -0.44 0.00 0.00 62.40 62.62 2kzn h SER 82 CO 0.30 1.03 -0.48 1.41 -0.53 0.00 0.00 176.83 178.57 2kzn n HIS 83 N -4.33 3.49 0.00 2.24 8.25 -1.26 -4.90 115.22 118.71 2kzn n HIS 83 Ca -0.06 -4.18 0.00 0.00 -0.26 0.00 0.00 57.72 53.22 2kzn n HIS 83 Cb 0.50 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kzn n GLY 84 N 1.55 1.77 3.05 -1.41 0.00 -1.26 -4.88 105.19 103.99 2kzn n GLY 84 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2kzn n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kzn s MET 85 N 0.00 0.48 -0.02 1.61 1.00 -1.26 -5.12 119.30 115.98 2kzn s MET 85 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 55.69 54.51 2kzn s MET 85 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 34.83 34.96 2kzn s MET 85 CO 0.00 -0.09 1.21 0.96 0.00 0.00 0.00 175.02 177.11 2kzn s ILE 86 N -2.63 4.16 -0.05 2.53 -5.25 -1.26 -4.18 121.20 114.52 2kzn s ILE 86 Ca -0.05 1.51 -0.19 0.00 -0.99 0.00 0.00 60.65 60.93 2kzn s ILE 86 Cb -0.01 -3.97 0.04 0.00 2.95 0.00 0.00 42.46 41.46 2kzn s ILE 86 CO -0.05 0.03 0.42 0.00 -1.79 0.00 0.00 174.94 173.55 2kzn s ARG 87 N 1.91 0.73 -0.01 0.37 1.70 -0.43 -4.92 118.95 118.30 2kzn s ARG 87 Ca 0.57 0.05 0.04 0.00 -0.47 0.00 0.00 55.73 55.92 2kzn s ARG 87 Cb -0.26 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.44 2kzn s ARG 87 CO 0.24 -0.20 -0.13 0.99 -1.08 0.00 0.00 175.30 175.13 2kzn s THR 88 N -1.03 1.01 0.36 4.99 2.01 -1.25 -0.72 115.64 121.01 2kzn s THR 88 Ca -0.11 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.43 2kzn s THR 88 Cb -0.04 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2kzn s THR 88 CO 0.05 0.29 0.24 -1.61 -0.69 0.00 0.00 174.62 172.90 2kzn s GLU 89 N -0.21 2.50 -0.04 4.92 2.02 -0.25 -1.06 118.70 126.59 2kzn s GLU 89 Ca 0.03 -1.49 0.01 0.00 0.02 0.00 0.00 54.97 53.55 2kzn s GLU 89 Cb -0.06 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.90 2kzn s GLU 89 CO -0.00 0.03 -0.05 0.14 0.02 0.00 0.00 175.26 175.40 2kzn s VAL 90 N -2.41 0.56 -0.01 2.63 -7.23 -0.48 -0.76 120.40 112.69 2kzn s VAL 90 Ca 0.41 -0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 2kzn s VAL 90 Cb -0.03 -0.57 0.11 0.00 0.56 0.00 0.00 36.38 36.45 2kzn s VAL 90 CO 0.25 0.22 1.22 -0.60 -0.31 0.00 0.00 175.10 175.88 2kzn s ARG 91 N 0.82 0.53 0.63 4.82 6.06 -0.92 -2.32 118.95 128.58 2kzn s ARG 91 Ca -0.11 -0.28 -0.18 0.00 -2.50 0.00 0.00 55.73 52.65 2kzn s ARG 91 Cb -0.14 0.19 -0.02 0.00 0.06 0.00 0.00 34.95 35.04 2kzn s ARG 91 CO 0.00 -0.24 1.27 0.45 -2.50 0.00 0.00 175.30 174.28 2kzn s SER 92 N -2.89 4.75 0.14 -2.12 0.15 -0.60 -2.72 113.70 110.42 2kzn s SER 92 Ca 0.13 2.56 -0.27 0.00 0.70 0.00 0.00 55.95 59.06 2kzn s SER 92 Cb 0.03 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2kzn s SER 92 CO -0.03 -1.90 1.58 -0.09 1.20 0.00 0.00 173.24 174.00 2kzn h ARG 93 N 0.62 -0.38 -0.90 5.44 2.43 -1.92 0.39 114.38 120.06 2kzn h ARG 93 Ca -0.51 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2kzn h ARG 93 Cb 1.33 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.91 2kzn h ARG 93 CO 0.54 -0.26 0.63 0.00 -1.51 0.00 0.00 179.97 179.37 2kzn h THR 94 N -0.40 0.59 -0.03 0.20 1.03 -2.03 -2.49 112.91 109.78 2kzn h THR 94 Ca 0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.46 2kzn h THR 94 Cb 0.59 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 2kzn h THR 94 CO -0.48 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 175.06 2kzn n ALA 95 N -2.64 2.12 0.00 0.00 0.00 -0.14 -4.99 120.51 114.87 2kzn n ALA 95 Ca 0.19 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2kzn n ALA 95 Cb 0.88 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2kzn n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kzn n ASP 96 N -0.74 0.00 0.00 0.00 5.75 -0.06 -1.08 116.55 120.42 2kzn n ASP 96 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 2kzn n ASP 96 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kzn n SER 97 N -0.18 0.15 0.17 -1.12 3.41 -1.26 -2.16 113.62 112.65 2kzn n SER 97 Ca 0.00 -0.53 0.14 0.00 -0.26 0.00 0.00 58.87 58.22 2kzn n SER 97 Cb 0.00 0.69 0.49 0.00 -0.26 0.00 0.00 64.21 65.13 2kzn n SER 97 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2kzn h HIS 98 N 0.00 0.00 0.23 7.33 3.86 -1.17 -2.62 115.15 122.78 2kzn h HIS 98 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2kzn h HIS 98 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2kzn h HIS 98 CO 0.00 0.00 -0.11 -0.07 0.86 0.00 0.00 177.93 178.61 2kzn h LEU 99 N 0.00 -0.26 0.00 2.43 3.38 -1.74 -3.48 115.31 115.65 2kzn h LEU 99 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2kzn h LEU 99 Cb 0.55 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kzn h LEU 99 CO 0.00 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.40 2kzn n GLY 100 N 0.68 -0.47 3.61 0.83 0.00 -0.99 -2.75 105.19 106.10 2kzn n GLY 100 Ca -0.07 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 2kzn n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kzn s HIS 101 N -3.38 2.51 -0.04 1.61 3.76 -0.84 -1.39 115.29 117.53 2kzn s HIS 101 Ca 0.00 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 2kzn s HIS 101 Cb 0.00 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.20 2kzn s HIS 101 CO 0.00 0.50 -0.13 0.14 -0.85 0.00 0.00 174.74 174.39 2kzn s VAL 102 N -2.56 1.13 -0.27 -0.90 -7.23 -0.22 -0.79 120.40 109.55 2kzn s VAL 102 Ca 0.34 -0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 59.87 2kzn s VAL 102 Cb 0.01 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2kzn s VAL 102 CO 0.19 0.34 0.17 0.12 -0.31 0.00 0.00 175.10 175.60 2kzn s PHE 103 N 0.17 3.21 -2.00 2.82 5.36 -0.72 -3.88 117.98 122.95 2kzn s PHE 103 Ca -0.05 0.06 0.18 0.00 -0.96 0.00 0.00 56.93 56.16 2kzn s PHE 103 Cb -0.11 -2.35 1.06 0.00 -0.34 0.00 0.00 43.02 41.28 2kzn s PHE 103 CO 0.02 -0.16 1.61 -1.71 -1.46 0.00 0.00 175.22 173.51 2kzn n ASN 104 N 4.97 0.00 -1.83 6.13 4.05 -1.26 -1.72 115.26 125.61 2kzn n ASN 104 Ca -0.14 -1.21 -0.14 0.00 0.45 0.00 0.00 54.58 53.53 2kzn n ASN 104 Cb 0.52 0.00 0.21 0.00 1.23 0.00 0.00 39.78 41.74 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2kzn n ASP 105 N -0.81 3.54 -4.23 1.20 2.03 -1.26 -4.82 116.55 112.19 2kzn n ASP 105 Ca 0.13 -3.58 -0.19 0.00 0.52 0.00 0.00 54.79 51.67 2kzn n ASP 105 Cb 0.06 -0.75 -0.12 0.00 -0.72 0.00 0.00 41.12 39.59 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kzn s GLY 106 N -1.66 1.06 0.00 0.27 0.00 -1.15 -5.07 107.32 100.77 2kzn s GLY 106 Ca 0.52 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 2kzn s GLY 106 CO 0.08 -1.25 1.10 2.56 0.00 0.00 0.00 173.10 175.59 2kzn s PRO 107 N -2.30 4.46 0.19 2.90 0.04 -1.26 -3.99 135.00 135.04 2kzn s PRO 107 Ca 0.06 1.59 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 2kzn s PRO 107 Cb -0.07 -3.44 0.07 0.00 0.04 0.00 0.00 34.50 31.09 2kzn s PRO 107 CO 0.03 -0.22 0.97 0.20 0.04 0.00 0.00 177.00 178.02 2kzn s GLY 108 N 1.12 -0.04 0.35 0.56 0.00 -1.26 -4.75 107.32 103.30 2kzn s GLY 108 Ca 0.55 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 45.20 2kzn s GLY 108 CO 0.26 0.90 1.85 -0.56 0.00 0.00 0.00 173.10 175.55 2kzn h PRO 109 N 2.00 0.31 -0.53 2.90 0.13 -1.86 -2.44 132.00 132.51 2kzn h PRO 109 Ca -0.26 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kzn h PRO 109 Cb 1.23 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kzn h PRO 109 CO 0.31 0.48 0.00 0.27 -0.23 0.00 0.00 178.00 178.83 2kzn n ASN 110 N -4.21 3.53 -0.47 1.44 6.94 -1.26 -4.97 115.26 116.26 2kzn n ASN 110 Ca -0.00 -1.97 -0.06 0.00 -0.02 0.00 0.00 54.58 52.52 2kzn n ASN 110 Cb 0.32 -0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 2kzn n ASN 110 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kzn n GLY 111 N 1.33 0.78 3.66 4.83 0.00 -0.92 -5.02 105.19 109.85 2kzn n GLY 111 Ca 0.20 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2kzn n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzn s LEU 112 N -1.39 3.24 -0.23 0.99 1.43 -1.26 -4.27 118.68 117.21 2kzn s LEU 112 Ca 0.00 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2kzn s LEU 112 Cb 0.00 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2kzn s LEU 112 CO 0.00 0.01 0.02 -0.13 0.23 0.00 0.00 176.35 176.48 2kzn s ARG 113 N -3.58 0.98 -0.79 1.70 1.81 -0.70 -4.01 118.95 114.36 2kzn s ARG 113 Ca 0.31 -0.71 -0.25 0.00 -1.72 0.00 0.00 55.73 53.35 2kzn s ARG 113 Cb -0.07 -2.26 -0.02 0.00 -0.45 0.00 0.00 34.95 32.15 2kzn s ARG 113 CO 0.20 -0.68 1.79 0.71 -0.68 0.00 0.00 175.30 176.64 2kzn s TYR 114 N 1.67 1.88 -0.72 -0.53 1.51 0.31 -1.75 117.35 119.72 2kzn s TYR 114 Ca -0.01 0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 56.33 2kzn s TYR 114 Cb -0.18 -4.20 0.15 0.00 -0.11 0.00 0.00 41.96 37.63 2kzn s TYR 114 CO -0.10 -2.02 0.77 0.00 -1.11 0.00 0.00 175.55 173.10 2kzn s ILE 116 N 1.71 5.37 0.12 0.00 -1.09 -0.36 -1.98 121.20 124.96 2kzn s ILE 116 Ca 0.16 0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 2kzn s ILE 116 Cb -0.17 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2kzn s ILE 116 CO -0.02 0.48 1.13 0.54 -1.23 0.00 0.00 174.94 175.84 2kzn s ASN 117 N -0.05 7.20 0.55 3.58 2.20 -1.11 -3.13 114.94 124.17 2kzn s ASN 117 Ca 0.13 2.03 0.22 0.00 -0.94 0.00 0.00 52.86 54.30 2kzn s ASN 117 Cb -0.12 -2.59 1.46 0.00 -2.00 0.00 0.00 41.25 38.00 2kzn s ASN 117 CO 0.02 -0.32 2.16 0.77 -2.94 0.00 0.00 177.10 176.79 2kzn h SER 118 N 5.91 0.00 0.69 3.54 4.64 -1.89 -2.28 113.55 124.17 2kzn h SER 118 Ca -0.43 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.78 2kzn h SER 118 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2kzn h SER 118 CO 0.76 0.00 -0.51 0.00 -0.87 0.00 0.00 176.83 176.21 2kzn h ALA 119 N 1.96 1.01 -0.00 5.18 0.00 -1.92 -2.75 119.26 122.74 2kzn h ALA 119 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kzn h ALA 119 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kzn h ALA 119 CO -0.00 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 2kzn n ALA 120 N -2.37 2.64 -2.73 0.00 0.00 -0.86 -4.91 120.51 112.28 2kzn n ALA 120 Ca -0.01 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 2kzn n ALA 120 Cb 0.56 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 2kzn n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kzn s LEU 121 N -2.51 3.51 -0.14 0.00 1.43 -1.04 -0.51 118.68 119.41 2kzn s LEU 121 Ca 0.29 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 2kzn s LEU 121 Cb 0.20 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2kzn s LEU 121 CO 0.47 0.03 0.35 0.00 0.23 0.00 0.00 176.35 177.43 2kzn s ARG 122 N -3.37 0.35 0.14 1.70 1.70 -0.55 -4.83 118.95 114.09 2kzn s ARG 122 Ca 0.30 0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 55.91 2kzn s ARG 122 Cb -0.08 0.00 -0.07 0.00 -0.57 0.00 0.00 34.95 34.23 2kzn s ARG 122 CO 0.21 -0.13 1.02 -0.59 -1.08 0.00 0.00 175.30 174.73 2kzn s PHE 123 N 1.07 3.73 -0.33 5.89 -0.71 -1.26 -1.24 117.98 125.13 2kzn s PHE 123 Ca -0.07 1.71 0.02 0.00 -1.04 0.00 0.00 56.93 57.55 2kzn s PHE 123 Cb -0.07 -3.15 0.10 0.00 -1.21 0.00 0.00 43.02 38.69 2kzn s PHE 123 CO -0.08 -0.14 0.06 0.08 -1.34 0.00 0.00 175.22 173.80 2kzn s VAL 124 N -0.12 1.76 0.79 -2.49 1.01 -0.46 -4.96 120.40 115.92 2kzn s VAL 124 Ca 0.48 -1.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 2kzn s VAL 124 Cb -0.26 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 33.89 2kzn s VAL 124 CO 0.32 -0.61 1.16 -2.16 0.00 0.00 0.00 175.10 173.81 2kzn s PRO 125 N 1.17 1.88 0.53 2.72 0.04 -1.26 -0.81 135.00 139.26 2kzn s PRO 125 Ca 0.10 1.54 0.35 0.00 0.04 0.00 0.00 61.00 63.03 2kzn s PRO 125 Cb -0.18 -1.82 1.63 0.00 0.04 0.00 0.00 34.50 34.16 2kzn s PRO 125 CO -0.14 -1.99 2.04 -0.22 0.04 0.00 0.00 177.00 176.73 2kzn h LYS 126 N -0.91 0.00 -0.11 4.56 3.64 -1.67 0.15 116.57 122.22 2kzn h LYS 126 Ca -0.45 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.81 2kzn h LYS 126 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2kzn h LYS 126 CO 0.48 0.00 -0.46 0.45 -2.27 0.00 0.00 179.45 177.64 2kzn h HIS 127 N 0.00 0.34 0.00 1.91 3.86 -1.91 -3.26 115.15 116.08 2kzn h HIS 127 Ca 0.00 -0.10 -0.19 0.00 -1.16 0.00 0.00 60.37 58.92 2kzn h HIS 127 Cb 0.29 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 2kzn h HIS 127 CO 0.00 0.70 -1.61 1.17 0.86 0.00 0.00 177.93 179.04 2kzn n LYS 128 N -3.98 0.63 -0.03 2.45 3.00 0.30 -4.27 118.16 116.26 2kzn n LYS 128 Ca -0.02 0.16 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 2kzn n LYS 128 Cb 0.52 -1.74 -0.03 0.00 0.00 0.00 0.00 35.03 33.78 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2kzn h LEU 129 N 0.00 0.02 -1.47 3.14 3.38 -1.02 -0.16 115.31 119.20 2kzn h LEU 129 Ca -0.21 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2kzn h LEU 129 Cb 1.65 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2kzn h LEU 129 CO 0.04 0.04 -0.11 0.07 0.09 0.00 0.00 178.44 178.57 2kzn h LYS 130 N 0.11 0.00 0.17 1.13 2.10 -1.75 0.70 116.57 119.03 2kzn h LYS 130 Ca 0.08 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.40 2kzn h LYS 130 Cb 0.07 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2kzn h LYS 130 CO -0.11 0.11 -1.62 0.93 -2.00 0.00 0.00 179.45 176.76 2kzn h GLU 131 N 0.00 0.36 -0.54 0.07 4.39 -1.61 -3.36 114.58 113.88 2kzn h GLU 131 Ca -0.00 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.08 2kzn h GLU 131 Cb 0.55 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2kzn h GLU 131 CO 0.01 1.26 0.00 -1.91 -1.16 0.00 0.00 179.01 177.21 2kzn n GLU 132 N -3.56 4.27 -2.27 2.33 2.13 -0.12 -4.95 120.64 118.47 2kzn n GLU 132 Ca -0.20 -3.03 -0.09 0.00 0.66 0.00 0.00 57.16 54.50 2kzn n GLU 132 Cb 1.07 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kzn n GLY 133 N 0.57 0.04 2.05 8.31 0.00 -0.57 -4.92 105.19 110.67 2kzn n GLY 133 Ca 0.26 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 2kzn n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kzn n TYR 134 N -3.96 2.62 0.24 1.61 4.01 0.13 -4.52 117.16 117.30 2kzn n TYR 134 Ca -0.09 -1.58 0.16 0.00 -0.16 0.00 0.00 57.90 56.23 2kzn n TYR 134 Cb 0.57 -0.82 0.86 0.00 -0.31 0.00 0.00 39.34 39.64 2kzn n TYR 134 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2kzn h GLU 135 N 1.15 0.00 -0.57 -0.72 5.08 -1.89 -0.70 114.58 116.92 2kzn h GLU 135 Ca 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2kzn h GLU 135 Cb 2.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.79 2kzn h GLU 135 CO 0.92 0.00 0.35 0.77 -1.00 0.00 0.00 179.01 180.05 2kzn h SER 136 N 0.00 0.68 0.94 1.42 0.02 -1.95 -2.09 113.55 112.57 2kzn h SER 136 Ca 0.00 -0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.69 2kzn h SER 136 Cb 0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2kzn h SER 136 CO 0.00 0.53 -0.99 0.22 -1.14 0.00 0.00 176.83 175.46 2kzn h TYR 137 N 0.78 0.04 -0.00 3.45 3.20 -1.51 -2.37 116.97 120.56 2kzn h TYR 137 Ca 0.21 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2kzn h TYR 137 Cb -0.03 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2kzn h TYR 137 CO -0.02 0.99 0.04 -0.07 -1.64 0.00 0.00 178.16 177.45 2kzn h LEU 138 N 0.01 0.00 0.08 2.82 4.07 -1.36 0.31 115.31 121.24 2kzn h LEU 138 Ca -0.02 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.64 2kzn h LEU 138 Cb 1.73 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.45 2kzn h LEU 138 CO 0.13 0.00 -1.60 -0.74 -1.08 0.00 0.00 178.44 175.16 2kzn h HIS 139 N 0.00 0.32 -0.10 1.13 2.76 -1.03 -2.71 115.15 115.52 2kzn h HIS 139 Ca 0.00 -0.24 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 2kzn h HIS 139 Cb 0.07 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 2kzn h HIS 139 CO 0.00 1.33 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.87 2kzn h LEU 140 N 0.05 0.20 0.02 0.26 3.38 -0.63 -3.36 115.31 115.23 2kzn h LEU 140 Ca -0.26 -0.36 -0.38 0.00 0.09 0.00 0.00 57.88 56.98 2kzn h LEU 140 Cb 2.00 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.63 2kzn h LEU 140 CO 0.13 0.51 -2.35 0.33 0.09 0.00 0.00 178.44 177.15 2kzn n PHE 141 N -4.77 0.23 -3.03 1.13 7.35 -0.05 -5.09 117.46 113.22 2kzn n PHE 141 Ca -0.06 0.06 -0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2kzn n PHE 141 Cb 0.23 -1.03 -0.00 0.00 0.35 0.00 0.00 39.48 39.03 2kzn n PHE 141 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2kzn n ASN 142 N -3.17 -6.99 -3.80 -2.13 2.85 -1.02 -5.02 115.26 95.98 2kzn n ASN 142 Ca -0.40 0.75 -0.30 0.00 -0.11 0.00 0.00 54.58 54.53 2kzn n ASN 142 Cb 1.04 -2.80 -0.13 0.00 1.24 0.00 0.00 39.78 39.12 2kzn n ASN 142 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kzn s LYS 143 N -1.18 1.50 -0.21 1.20 -0.14 -1.26 -5.08 119.74 114.58 2kzn s LYS 143 Ca -0.00 -2.18 -0.24 0.00 -1.36 0.00 0.00 55.97 52.18 2kzn s LYS 143 Cb 0.00 -2.67 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 2kzn s LYS 143 CO 0.26 -1.13 0.80 -1.17 -0.76 0.00 0.00 175.35 173.34 2kzn s LEU 144 N 0.19 4.12 -0.82 3.17 2.96 -1.26 -5.01 118.68 122.03 2kzn s LEU 144 Ca 0.17 1.05 -0.25 0.00 -0.22 0.00 0.00 54.13 54.88 2kzn s LEU 144 Cb -0.25 -3.15 0.05 0.00 0.50 0.00 0.00 46.19 43.34 2kzn s LEU 144 CO -0.00 -0.44 1.28 -1.61 -1.32 0.00 0.00 176.35 174.26 2kzn s GLU 145 N 2.45 3.32 -0.34 1.98 2.02 -1.26 -4.91 118.70 121.96 2kzn s GLU 145 Ca 0.35 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2kzn s GLU 145 Cb -0.16 -4.56 0.14 0.00 0.10 0.00 0.00 34.13 29.65 2kzn s GLU 145 CO 0.10 -2.11 0.25 -1.01 0.02 0.00 0.00 175.26 172.51 2kzn s HIS 146 N 5.15 0.25 -2.84 1.61 3.76 -1.26 -5.31 115.29 116.66 2kzn s HIS 146 Ca 0.36 -1.13 0.25 0.00 -0.15 0.00 0.00 55.06 54.40 2kzn s HIS 146 Cb -0.07 -0.73 0.46 0.00 1.11 0.00 0.00 32.58 33.36 2kzn s HIS 146 CO 0.06 -0.88 1.41 1.58 -0.85 0.00 0.00 174.74 176.07