#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 -1.33 -0.94 3.17 0.00 -1.26 -5.08 121.76 116.32 2kzn s ALA 2 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 2kzn s ALA 2 Cb 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2kzn s ALA 2 CO 0.00 -1.04 1.92 0.71 0.00 0.00 0.00 175.76 177.35 2kzn s TYR 3 N -3.51 1.87 -0.13 0.00 1.51 -1.26 -4.92 117.35 110.90 2kzn s TYR 3 Ca 0.12 0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.72 2kzn s TYR 3 Cb -0.04 -4.08 0.01 0.00 -0.11 0.00 0.00 41.96 37.73 2kzn s TYR 3 CO 0.06 -1.70 -0.22 -0.80 -1.11 0.00 0.00 175.55 171.77 2kzn s ASN 4 N 7.67 3.12 0.35 2.29 0.01 -1.26 -5.02 114.94 122.10 2kzn s ASN 4 Ca 0.68 -0.60 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 2kzn s ASN 4 Cb -0.06 -1.44 0.64 0.00 0.41 0.00 0.00 41.25 40.81 2kzn s ASN 4 CO 0.00 0.09 1.86 0.07 -1.51 0.00 0.00 177.10 177.62 2kzn h LYS 5 N 7.23 0.38 -0.27 -0.60 2.10 -1.99 -2.92 116.57 120.48 2kzn h LYS 5 Ca -0.30 -0.10 -0.14 0.00 -2.00 0.00 0.00 60.65 58.11 2kzn h LYS 5 Cb 1.20 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2kzn h LYS 5 CO 0.54 0.50 -0.38 1.05 -2.00 0.00 0.00 179.45 179.16 2kzn h GLU 6 N 0.36 0.74 -0.30 0.07 4.11 -1.99 -1.17 114.58 116.40 2kzn h GLU 6 Ca 0.07 -0.43 0.09 0.00 0.07 0.00 0.00 59.36 59.16 2kzn h GLU 6 Cb 0.42 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kzn h GLU 6 CO 0.02 1.06 0.28 1.49 0.07 0.00 0.00 179.01 181.93 2kzn h GLU 7 N 0.49 0.00 0.15 1.06 4.81 -1.93 -2.24 114.58 116.92 2kzn h GLU 7 Ca 0.03 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.99 2kzn h GLU 7 Cb 0.97 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.36 2kzn h GLU 7 CO 0.09 0.00 -1.30 0.87 -0.73 0.00 0.00 179.01 177.94 2kzn h LYS 8 N 0.00 0.32 -1.00 1.92 1.57 -1.26 -3.39 116.57 114.72 2kzn h LYS 8 Ca 0.14 -0.54 0.30 0.00 -1.87 0.00 0.00 60.65 58.68 2kzn h LYS 8 Cb 0.70 0.20 -0.14 0.00 0.08 0.00 0.00 32.23 33.07 2kzn h LYS 8 CO -0.00 1.26 0.57 0.82 -0.57 0.00 0.00 179.45 181.53 2kzn h ILE 9 N -0.21 0.38 -0.79 1.86 1.08 -0.58 0.17 117.51 119.40 2kzn h ILE 9 Ca -0.26 -0.14 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 2kzn h ILE 9 Cb 1.82 -0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 35.44 2kzn h ILE 9 CO 0.13 0.07 0.46 0.11 -0.69 0.00 0.00 178.15 178.23 2kzn h LYS 10 N 0.41 0.77 -0.24 2.37 1.57 -1.75 -0.92 116.57 118.78 2kzn h LYS 10 Ca 0.70 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.39 2kzn h LYS 10 Cb 1.53 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 2kzn h LYS 10 CO -0.57 0.51 -0.03 -1.13 -0.57 0.00 0.00 179.45 177.67 2kzn n SER 11 N -4.73 3.24 0.05 0.86 3.41 0.36 -4.41 113.62 112.39 2kzn n SER 11 Ca 0.12 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 2kzn n SER 11 Cb 0.24 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2kzn n SER 11 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2kzn n LEU 12 N -0.83 0.89 0.30 1.04 7.94 0.14 -4.76 117.00 121.73 2kzn n LEU 12 Ca 0.24 0.15 0.20 0.00 -1.11 0.00 0.00 56.01 55.48 2kzn n LEU 12 Cb 0.89 -0.24 0.90 0.00 0.53 0.00 0.00 43.42 45.50 2kzn n LEU 12 CO 0.14 -0.73 1.07 0.78 -1.11 0.00 0.00 177.39 177.54 2kzn h ASN 13 N 0.00 0.00 -0.12 1.96 -0.26 -1.41 -2.33 115.58 113.42 2kzn h ASN 13 Ca 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 2kzn h ASN 13 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2kzn h ASN 13 CO 0.00 0.00 0.08 -0.09 -1.06 0.00 0.00 177.43 176.37 2kzn h ARG 14 N 0.00 0.01 0.05 0.81 2.43 -1.77 0.21 114.38 116.12 2kzn h ARG 14 Ca -0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kzn h ARG 14 Cb 0.31 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2kzn h ARG 14 CO 0.00 0.01 -0.02 0.52 -1.51 0.00 0.00 179.97 178.96 2kzn h MET 15 N 0.01 -0.06 0.09 0.20 2.86 -1.74 -3.32 114.93 112.97 2kzn h MET 15 Ca 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2kzn h MET 15 Cb 0.21 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2kzn h MET 15 CO -0.00 -0.04 -0.05 1.96 1.06 0.00 0.00 176.91 179.84 2kzn h GLN 16 N -0.95 -0.12 -0.98 1.72 4.20 -1.44 0.09 115.11 117.63 2kzn h GLN 16 Ca -0.01 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.81 2kzn h GLN 16 Cb 0.05 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 2kzn h GLN 16 CO 0.01 -0.03 0.62 -0.92 -0.67 0.00 0.00 178.83 177.84 2kzn h TYR 17 N -0.18 1.13 -0.52 2.96 3.20 -0.82 -0.11 116.97 122.62 2kzn h TYR 17 Ca -0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2kzn h TYR 17 Cb 0.15 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2kzn h TYR 17 CO -0.05 0.51 0.05 1.49 -1.64 0.00 0.00 178.16 178.52 2kzn h GLU 18 N 1.04 0.88 0.22 1.82 4.81 -1.52 -3.17 114.58 118.66 2kzn h GLU 18 Ca 0.46 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2kzn h GLU 18 Cb 0.34 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kzn h GLU 18 CO -0.22 0.88 -0.11 0.28 -0.73 0.00 0.00 179.01 179.11 2kzn h VAL 19 N 0.75 0.00 0.00 0.32 2.07 -0.14 -3.28 116.25 115.97 2kzn h VAL 19 Ca 0.15 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2kzn h VAL 19 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2kzn h VAL 19 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2kzn h THR 20 N -0.78 0.00 -0.44 2.57 1.03 -1.22 0.27 112.91 114.34 2kzn h THR 20 Ca -0.03 -0.02 -0.14 0.00 -0.01 0.00 0.00 66.41 66.21 2kzn h THR 20 Cb 0.23 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.12 2kzn h THR 20 CO 0.05 0.00 -0.28 -0.61 -0.01 0.00 0.00 175.52 174.67 2kzn h GLN 21 N 0.00 0.97 0.00 0.00 5.75 -1.62 -3.32 115.11 116.89 2kzn h GLN 21 Ca 0.00 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2kzn h GLN 21 Cb 0.02 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2kzn h GLN 21 CO 0.00 1.12 -0.05 -1.71 -2.65 0.00 0.00 178.83 175.54 2kzn n ASN 22 N -4.09 1.91 -3.68 -0.69 5.15 -0.45 -5.00 115.26 108.42 2kzn n ASN 22 Ca -0.01 -2.58 -0.28 0.00 -0.60 0.00 0.00 54.58 51.11 2kzn n ASN 22 Cb 0.49 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2kzn n ASN 22 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2kzn n ASN 23 N -0.97 -4.04 -3.82 1.20 6.94 0.83 -4.95 115.26 110.45 2kzn n ASN 23 Ca 0.09 -0.62 -0.30 0.00 -0.02 0.00 0.00 54.58 53.73 2kzn n ASN 23 Cb 0.53 -3.29 0.23 0.00 -2.36 0.00 0.00 39.78 34.89 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2kzn s GLY 24 N -2.99 1.65 -0.03 4.83 0.00 -0.45 -4.98 107.32 105.36 2kzn s GLY 24 Ca 0.54 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 44.24 2kzn s GLY 24 CO 0.67 -0.21 -0.22 -1.08 0.00 0.00 0.00 173.10 172.26 2kzn s THR 25 N -3.30 1.75 -0.26 0.90 -1.32 -1.26 -4.83 115.64 107.32 2kzn s THR 25 Ca 0.73 -0.93 -0.02 0.00 -1.21 0.00 0.00 61.69 60.25 2kzn s THR 25 Cb -0.07 -1.46 0.12 0.00 -1.51 0.00 0.00 72.50 69.58 2kzn s THR 25 CO 0.55 0.49 0.26 -0.70 -2.21 0.00 0.00 174.62 173.01 2kzn s GLU 26 N -0.41 0.27 0.78 7.08 2.56 -1.26 -5.05 118.70 122.67 2kzn s GLU 26 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.97 54.84 2kzn s GLU 26 Cb -0.10 -0.89 0.04 0.00 2.00 0.00 0.00 34.13 35.19 2kzn s GLU 26 CO 0.00 -0.89 1.01 -2.30 -0.56 0.00 0.00 175.26 172.52 2kzn n PRO 27 N 5.31 0.26 -1.68 4.30 -0.02 -1.26 -3.48 135.00 138.43 2kzn n PRO 27 Ca -0.04 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 2kzn n PRO 27 Cb 0.47 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2kzn n PRO 27 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kzn s PRO 28 N -3.71 3.73 0.16 0.52 0.04 -1.26 -4.91 135.00 129.57 2kzn s PRO 28 Ca 0.71 2.32 -0.34 0.00 0.04 0.00 0.00 61.00 63.73 2kzn s PRO 28 Cb -0.31 -4.23 -0.14 0.00 0.04 0.00 0.00 34.50 29.86 2kzn s PRO 28 CO 0.52 -1.42 1.58 1.19 0.04 0.00 0.00 177.00 178.92 2kzn n PHE 29 N 9.18 2.28 -1.20 0.56 3.72 -1.26 -2.71 117.46 128.03 2kzn n PHE 29 Ca 0.24 0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.83 2kzn n PHE 29 Cb 0.43 -2.54 -0.03 0.00 -0.94 0.00 0.00 39.48 36.39 2kzn n PHE 29 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2kzn n GLN 30 N 3.41 -1.51 -2.24 -1.08 7.27 -1.26 -4.95 117.38 117.01 2kzn n GLN 30 Ca 0.17 0.69 -0.38 0.00 0.07 0.00 0.00 57.00 57.55 2kzn n GLN 30 Cb 0.29 -4.95 -0.02 0.00 2.41 0.00 0.00 30.24 27.97 2kzn n GLN 30 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2kzn s ASN 31 N -2.31 6.44 0.06 1.69 3.04 -1.10 -4.96 114.94 117.80 2kzn s ASN 31 Ca 0.00 2.40 -0.20 0.00 0.04 0.00 0.00 52.86 55.10 2kzn s ASN 31 Cb 0.00 -2.62 -0.11 0.00 -1.54 0.00 0.00 41.25 36.98 2kzn s ASN 31 CO 0.00 -0.74 1.49 1.05 -3.04 0.00 0.00 177.10 175.87 2kzn h GLU 32 N 2.58 0.31 -0.00 0.43 9.09 -1.92 -3.31 114.58 121.76 2kzn h GLU 32 Ca -0.49 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 58.82 2kzn h GLU 32 Cb 1.24 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2kzn h GLU 32 CO 0.62 0.52 -0.25 0.66 0.05 0.00 0.00 179.01 180.61 2kzn n TYR 33 N -4.72 0.00 -1.31 2.06 4.01 -1.26 -5.00 117.16 110.94 2kzn n TYR 33 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.59 2kzn n TYR 33 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 2kzn n TYR 33 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2kzn n TRP 34 N -1.03 0.00 0.09 -0.72 8.01 -1.25 -4.86 117.44 117.68 2kzn n TRP 34 Ca 0.01 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.07 2kzn n TRP 34 Cb 0.09 -2.72 -0.09 0.00 -2.01 0.00 0.00 31.31 26.59 2kzn n TRP 34 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.69 177.06 2kzn h ASP 35 N 0.00 0.42 -5.32 -0.99 2.03 -1.94 -3.45 116.42 107.17 2kzn h ASP 35 Ca -0.22 -0.40 -0.37 0.00 -0.73 0.00 0.00 57.03 55.32 2kzn h ASP 35 Cb 1.17 -0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 39.46 2kzn h ASP 35 CO 0.32 1.25 -0.54 0.00 -1.03 0.00 0.00 179.24 179.24 2kzn n HIS 36 N -3.62 -1.77 -0.63 4.15 1.44 -1.26 -4.87 115.22 108.65 2kzn n HIS 36 Ca -0.07 0.44 -0.18 0.00 -2.01 0.00 0.00 57.72 55.90 2kzn n HIS 36 Cb 0.93 -2.96 0.11 0.00 0.12 0.00 0.00 29.99 28.19 2kzn n HIS 36 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kzn n LYS 37 N -3.67 1.92 -2.16 -1.40 4.76 -1.26 -4.93 118.16 111.41 2kzn n LYS 37 Ca -0.03 -2.13 -0.42 0.00 -2.87 0.00 0.00 58.31 52.86 2kzn n LYS 37 Cb 0.55 -1.83 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kzn s GLU 38 N -2.36 4.22 0.04 1.97 2.02 -1.26 -5.01 118.70 118.32 2kzn s GLU 38 Ca 0.41 2.01 0.01 0.00 0.02 0.00 0.00 54.97 57.41 2kzn s GLU 38 Cb 0.34 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 2kzn s GLU 38 CO 0.06 -0.74 0.12 -2.00 0.02 0.00 0.00 175.26 172.72 2kzn s GLU 39 N 3.46 3.13 0.00 1.61 2.12 -1.26 -4.56 118.70 123.21 2kzn s GLU 39 Ca 0.66 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2kzn s GLU 39 Cb -0.30 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2kzn s GLU 39 CO 0.25 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.99 2kzn n GLY 40 N 0.65 0.05 3.40 -1.50 0.00 -1.26 -3.81 105.19 102.71 2kzn n GLY 40 Ca -0.09 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 2.47 -0.31 0.99 1.43 -0.39 -1.60 118.68 121.27 2kzn s LEU 41 Ca 0.00 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2kzn s LEU 41 Cb 0.00 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.23 2kzn s LEU 41 CO 0.00 0.04 0.08 -0.47 0.23 0.00 0.00 176.35 176.23 2kzn s TYR 42 N -2.04 3.19 0.12 0.29 6.14 -0.67 -1.93 117.35 122.45 2kzn s TYR 42 Ca 0.21 -1.19 0.04 0.00 0.64 0.00 0.00 57.07 56.76 2kzn s TYR 42 Cb -0.06 -2.25 -0.04 0.00 0.42 0.00 0.00 41.96 40.03 2kzn s TYR 42 CO 0.10 -0.65 -0.09 0.14 0.64 0.00 0.00 175.55 175.69 2kzn s VAL 43 N 1.45 1.01 -0.06 3.14 -7.23 -0.65 -1.21 120.40 116.83 2kzn s VAL 43 Ca 0.01 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.03 2kzn s VAL 43 Cb -0.18 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2kzn s VAL 43 CO 0.02 -0.74 0.60 1.51 -0.31 0.00 0.00 175.10 176.19 2kzn s ASP 44 N -2.98 6.89 0.40 4.85 -4.77 -1.12 -1.24 116.67 118.70 2kzn s ASP 44 Ca 0.13 1.07 0.20 0.00 -3.30 0.00 0.00 52.55 50.65 2kzn s ASP 44 Cb 0.02 -2.36 0.79 0.00 -1.09 0.00 0.00 42.92 40.28 2kzn s ASP 44 CO -0.01 -0.02 1.78 0.40 0.70 0.00 0.00 175.17 178.02 2kzn h ILE 45 N 4.57 0.78 0.00 2.11 2.04 -1.57 0.26 117.51 125.70 2kzn h ILE 45 Ca -0.42 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.05 2kzn h ILE 45 Cb 1.19 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2kzn h ILE 45 CO 0.74 0.31 -0.19 -0.37 0.00 0.00 0.00 178.15 178.64 2kzn h VAL 46 N 0.00 1.02 0.00 1.67 -1.51 -1.89 -3.27 116.25 112.27 2kzn h VAL 46 Ca -0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2kzn h VAL 46 Cb 0.82 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2kzn h VAL 46 CO 0.04 0.18 0.00 -0.24 -1.23 0.00 0.00 177.57 176.32 2kzn n SER 47 N -4.16 0.02 -2.12 4.19 2.88 -1.23 -5.04 113.62 108.16 2kzn n SER 47 Ca -0.02 -0.28 -0.18 0.00 -1.33 0.00 0.00 58.87 57.06 2kzn n SER 47 Cb 0.26 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kzn n GLY 48 N 0.48 -0.34 3.71 0.46 0.00 0.90 -5.02 105.19 105.39 2kzn n GLY 48 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.03 2.96 0.08 1.61 -0.14 -1.19 -4.89 119.74 113.14 2kzn s LYS 49 Ca 0.07 -0.47 -0.31 0.00 -1.36 0.00 0.00 55.97 53.90 2kzn s LYS 49 Cb -0.03 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 2kzn s LYS 49 CO 0.08 0.67 1.85 -2.14 -0.76 0.00 0.00 175.35 175.06 2kzn s PRO 50 N -1.28 4.15 -0.13 -1.68 0.02 -1.26 -2.78 135.00 132.02 2kzn s PRO 50 Ca 0.17 2.56 0.10 0.00 0.02 0.00 0.00 61.00 63.85 2kzn s PRO 50 Cb -0.12 -3.81 -0.23 0.00 0.02 0.00 0.00 34.50 30.36 2kzn s PRO 50 CO 0.07 -0.87 0.31 1.28 -0.33 0.00 0.00 177.00 177.46 2kzn n LEU 51 N 6.38 1.15 -3.85 -5.54 4.77 -0.35 -4.62 117.00 114.94 2kzn n LEU 51 Ca 0.18 0.18 0.01 0.00 -0.03 0.00 0.00 56.01 56.35 2kzn n LEU 51 Cb 0.40 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 2kzn n LEU 51 CO 0.66 0.57 1.01 0.72 -1.33 0.00 0.00 177.39 179.02 2kzn s PHE 52 N -2.55 0.01 0.12 -1.77 -0.12 -1.11 -0.69 117.98 111.87 2kzn s PHE 52 Ca -0.13 -0.19 -0.13 0.00 -0.05 0.00 0.00 56.93 56.43 2kzn s PHE 52 Cb 0.07 0.59 -0.07 0.00 -0.63 0.00 0.00 43.02 42.99 2kzn s PHE 52 CO 0.79 -0.43 0.50 -0.08 -0.05 0.00 0.00 175.22 175.95 2kzn s THR 53 N -2.22 4.92 -0.78 -4.49 -1.32 -1.26 -1.67 115.64 108.82 2kzn s THR 53 Ca 0.23 0.74 0.27 0.00 -1.21 0.00 0.00 61.69 61.71 2kzn s THR 53 Cb 0.01 -3.71 0.28 0.00 -1.51 0.00 0.00 72.50 67.56 2kzn s THR 53 CO -0.00 0.28 1.80 -0.24 -2.21 0.00 0.00 174.62 174.24 2kzn n SER 54 N 0.89 0.66 0.19 8.08 2.88 -0.63 -2.37 113.62 123.33 2kzn n SER 54 Ca -0.06 0.55 0.14 0.00 -1.33 0.00 0.00 58.87 58.17 2kzn n SER 54 Cb 0.52 -0.73 0.54 0.00 -0.75 0.00 0.00 64.21 63.79 2kzn n SER 54 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kzn h LYS 55 N 0.00 0.00 -0.16 -1.46 2.10 -1.95 -2.80 116.57 112.29 2kzn h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kzn h LYS 55 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2kzn h LYS 55 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2kzn n ASP 56 N -2.63 3.15 -4.77 7.07 8.00 -1.00 -5.06 116.55 121.32 2kzn n ASP 56 Ca 0.02 -2.87 -0.39 0.00 0.71 0.00 0.00 54.79 52.26 2kzn n ASP 56 Cb 0.30 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kzn s LYS 57 N -2.53 4.43 0.13 -1.24 2.20 -1.06 -4.98 119.74 116.70 2kzn s LYS 57 Ca 0.34 1.70 0.03 0.00 -0.36 0.00 0.00 55.97 57.68 2kzn s LYS 57 Cb 0.27 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2kzn s LYS 57 CO 0.07 0.06 0.21 0.12 -0.36 0.00 0.00 175.35 175.45 2kzn s PHE 58 N -1.35 3.37 0.76 4.03 5.36 -1.26 -5.06 117.98 123.83 2kzn s PHE 58 Ca 0.50 0.09 -0.14 0.00 -0.96 0.00 0.00 56.93 56.42 2kzn s PHE 58 Cb -0.28 -1.63 0.06 0.00 -0.34 0.00 0.00 43.02 40.82 2kzn s PHE 58 CO 0.36 0.53 1.19 -0.51 -1.46 0.00 0.00 175.22 175.33 2kzn s ASP 59 N -3.02 4.00 -1.27 6.13 1.01 -1.26 -4.40 116.67 117.86 2kzn s ASP 59 Ca 0.33 2.30 -0.16 0.00 0.71 0.00 0.00 52.55 55.73 2kzn s ASP 59 Cb -0.11 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 2kzn s ASP 59 CO 0.26 -2.39 2.16 -1.54 0.21 0.00 0.00 175.17 173.87 2kzn n SER 60 N -3.01 3.57 -0.03 0.27 3.41 -1.26 -3.68 113.62 112.90 2kzn n SER 60 Ca 0.13 -2.79 -0.07 0.00 -0.26 0.00 0.00 58.87 55.88 2kzn n SER 60 Cb 0.51 -1.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.05 2kzn n SER 60 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2kzn h GLN 61 N 6.50 0.62 -0.37 4.33 4.15 -1.91 -2.97 115.11 125.46 2kzn h GLN 61 Ca 0.53 -0.30 -0.28 0.00 0.77 0.00 0.00 58.65 59.38 2kzn h GLN 61 Cb 0.64 -0.00 -0.23 0.00 0.21 0.00 0.00 27.48 28.10 2kzn h GLN 61 CO 1.91 0.88 -0.68 0.00 -1.93 0.00 0.00 178.83 179.01 2kzn n GLY 63 N -0.87 2.53 3.81 0.00 0.00 -1.12 -5.00 105.19 104.54 2kzn n GLY 63 Ca 0.31 -0.60 -0.34 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 -0.47 3.37 -0.20 1.61 0.51 -1.26 -4.80 118.94 117.70 2kzn s TRP 64 Ca 0.00 0.28 -0.29 0.00 -2.12 0.00 0.00 56.10 53.97 2kzn s TRP 64 Cb 0.00 -1.79 -0.03 0.00 -0.81 0.00 0.00 33.47 30.84 2kzn s TRP 64 CO 0.00 0.59 1.68 -2.14 -0.51 0.00 0.00 176.95 176.57 2kzn s PRO 65 N -1.62 3.78 -0.60 4.98 0.02 -1.26 -3.65 135.00 136.66 2kzn s PRO 65 Ca 0.22 1.75 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 2kzn s PRO 65 Cb -0.12 -4.06 0.15 0.00 0.02 0.00 0.00 34.50 30.49 2kzn s PRO 65 CO 0.13 -1.32 0.49 -1.54 -0.33 0.00 0.00 177.00 174.42 2kzn s SER 66 N 4.50 5.92 0.75 2.53 1.04 -1.24 -4.19 113.70 123.00 2kzn s SER 66 Ca 0.74 -2.30 -0.01 0.00 0.48 0.00 0.00 55.95 54.87 2kzn s SER 66 Cb -0.27 -2.05 0.15 0.00 0.10 0.00 0.00 66.02 63.95 2kzn s SER 66 CO 0.30 -0.61 1.02 0.33 0.98 0.00 0.00 173.24 175.26 2kzn n PHE 67 N 4.41 -2.99 0.29 5.02 7.35 -0.07 -4.79 117.46 126.68 2kzn n PHE 67 Ca 0.00 -1.73 0.09 0.00 -0.76 0.00 0.00 57.45 55.05 2kzn n PHE 67 Cb 0.42 -0.74 -0.12 0.00 0.35 0.00 0.00 39.48 39.38 2kzn n PHE 67 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2kzn n THR 68 N -2.91 0.00 -3.65 -2.13 -1.04 -1.26 -0.93 114.28 102.36 2kzn n THR 68 Ca 0.16 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.05 61.74 2kzn n THR 68 Cb 0.59 0.42 -0.08 0.00 -1.82 0.00 0.00 70.33 69.44 2kzn n THR 68 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2kzn s LYS 69 N -3.02 0.76 0.56 -2.82 -2.85 -1.26 -4.74 119.74 106.38 2kzn s LYS 69 Ca -0.02 0.57 0.09 0.00 -1.00 0.00 0.00 55.97 55.61 2kzn s LYS 69 Cb 0.12 0.36 0.09 0.00 -2.06 0.00 0.00 37.83 36.34 2kzn s LYS 69 CO 0.73 -0.15 0.74 -0.35 0.10 0.00 0.00 175.35 176.42 2kzn n PRO 70 N 2.18 0.62 -3.60 1.78 -0.04 -1.26 -4.85 135.00 129.83 2kzn n PRO 70 Ca -0.16 -3.10 -0.36 0.00 -0.04 0.00 0.00 63.50 59.84 2kzn n PRO 70 Cb 0.56 -0.16 -0.08 0.00 -0.04 0.00 0.00 33.50 33.78 2kzn n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kzn s ILE 71 N -2.54 5.33 -0.06 0.52 1.01 0.13 -4.96 121.20 120.64 2kzn s ILE 71 Ca 0.56 0.36 0.29 0.00 0.00 0.00 0.00 60.65 61.85 2kzn s ILE 71 Cb -0.04 -3.56 0.30 0.00 0.01 0.00 0.00 42.46 39.16 2kzn s ILE 71 CO 0.36 0.36 1.87 1.05 0.00 0.00 0.00 174.94 178.57 2kzn h GLU 72 N 7.12 0.00 0.02 2.79 4.11 -1.92 -3.01 114.58 123.69 2kzn h GLU 72 Ca -0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.04 2kzn h GLU 72 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kzn h GLU 72 CO 0.71 0.00 -0.01 1.49 0.07 0.00 0.00 179.01 181.28 2kzn h GLU 73 N 0.00 -0.02 -0.01 1.06 4.22 -1.95 -3.28 114.58 114.60 2kzn h GLU 73 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2kzn h GLU 73 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kzn h GLU 73 CO 0.00 0.04 -0.01 -1.91 -2.18 0.00 0.00 179.01 174.96 2kzn n GLU 74 N -5.07 0.15 -5.27 1.92 4.07 -1.22 -5.01 120.64 110.22 2kzn n GLU 74 Ca -0.07 -0.94 -0.31 0.00 -0.06 0.00 0.00 57.16 55.78 2kzn n GLU 74 Cb 0.06 -1.14 -0.16 0.00 -0.06 0.00 0.00 31.44 30.15 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2kzn s VAL 75 N -0.66 2.15 -0.17 6.31 1.01 -1.14 -4.40 120.40 123.49 2kzn s VAL 75 Ca 0.09 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 2kzn s VAL 75 Cb 0.06 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.77 2kzn s VAL 75 CO 0.10 0.58 0.37 -0.70 0.00 0.00 0.00 175.10 175.45 2kzn s GLU 76 N -0.59 0.28 0.06 2.72 2.12 -1.21 -4.56 118.70 117.52 2kzn s GLU 76 Ca 0.09 0.92 -0.15 0.00 0.36 0.00 0.00 54.97 56.19 2kzn s GLU 76 Cb -0.10 0.18 -0.06 0.00 0.26 0.00 0.00 34.13 34.41 2kzn s GLU 76 CO -0.01 -0.25 0.47 -1.83 -0.54 0.00 0.00 175.26 173.11 2kzn s GLU 77 N 2.37 3.96 -0.13 4.30 -1.05 -1.26 -1.08 118.70 125.81 2kzn s GLU 77 Ca -0.02 0.45 -0.03 0.00 -0.15 0.00 0.00 54.97 55.22 2kzn s GLU 77 Cb -0.12 -3.13 0.05 0.00 -0.44 0.00 0.00 34.13 30.49 2kzn s GLU 77 CO -0.11 0.62 0.05 0.15 0.95 0.00 0.00 175.26 176.91 2kzn s LYS 78 N -1.40 0.31 0.54 -4.83 -0.14 0.24 -4.97 119.74 109.48 2kzn s LYS 78 Ca 0.29 -0.04 -0.21 0.00 -1.36 0.00 0.00 55.97 54.65 2kzn s LYS 78 Cb -0.16 -1.46 -0.05 0.00 -1.68 0.00 0.00 37.83 34.48 2kzn s LYS 78 CO 0.16 -0.52 1.25 -1.17 -0.76 0.00 0.00 175.35 174.32 2kzn s LEU 79 N 2.03 3.84 -0.06 3.17 2.96 -1.26 -1.15 118.68 128.21 2kzn s LEU 79 Ca 0.02 2.51 -0.06 0.00 -0.22 0.00 0.00 54.13 56.38 2kzn s LEU 79 Cb -0.15 -4.37 0.02 0.00 0.50 0.00 0.00 46.19 42.19 2kzn s LEU 79 CO -0.07 -1.39 0.17 -0.62 -1.32 0.00 0.00 176.35 173.12 2kzn s ASP 80 N -1.28 -0.16 -0.50 3.68 -1.08 0.12 -4.89 116.67 112.56 2kzn s ASP 80 Ca 0.71 0.29 0.07 0.00 -0.52 0.00 0.00 52.55 53.09 2kzn s ASP 80 Cb -0.34 0.34 0.20 0.00 -1.46 0.00 0.00 42.92 41.67 2kzn s ASP 80 CO 0.39 -0.10 0.73 1.07 0.52 0.00 0.00 175.17 177.78 2kzn n THR 81 N 2.79 -0.13 0.20 1.71 5.66 -1.26 -1.70 114.28 121.54 2kzn n THR 81 Ca -0.14 -1.43 -0.15 0.00 -3.05 0.00 0.00 64.05 59.28 2kzn n THR 81 Cb 0.58 0.78 -0.08 0.00 -1.55 0.00 0.00 70.33 70.07 2kzn n THR 81 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kzn h SER 82 N 4.79 -1.05 -2.39 1.09 0.87 -1.99 -3.46 113.55 111.40 2kzn h SER 82 Ca 0.03 0.10 0.16 0.00 -1.23 0.00 0.00 61.79 60.84 2kzn h SER 82 Cb 1.07 0.37 -0.30 0.00 -0.44 0.00 0.00 62.40 63.09 2kzn h SER 82 CO 0.13 -0.50 0.64 -2.28 -0.53 0.00 0.00 176.83 174.29 2kzn s HIS 83 N -5.97 -0.26 0.00 2.24 5.65 -1.26 -5.03 115.29 110.66 2kzn s HIS 83 Ca -0.17 0.56 0.00 0.00 0.25 0.00 0.00 55.06 55.70 2kzn s HIS 83 Cb 0.06 0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.75 2kzn s HIS 83 CO 0.63 -0.13 0.00 0.41 -0.65 0.00 0.00 174.74 175.00 2kzn n GLY 84 N 2.71 2.81 2.88 1.59 0.00 -1.26 -4.94 105.19 108.98 2kzn n GLY 84 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 0.05 0.16 1.61 -1.94 -1.26 -5.16 119.30 112.66 2kzn s MET 85 Ca 0.00 -0.05 -0.05 0.00 -1.71 0.00 0.00 55.69 53.88 2kzn s MET 85 Cb 0.00 -0.03 -0.06 0.00 2.01 0.00 0.00 34.83 36.76 2kzn s MET 85 CO 0.00 0.01 0.40 -1.50 -0.01 0.00 0.00 175.02 173.91 2kzn s ILE 86 N -0.10 5.14 0.11 2.53 1.10 -1.26 -4.36 121.20 124.37 2kzn s ILE 86 Ca -0.01 0.04 -0.26 0.00 -0.51 0.00 0.00 60.65 59.92 2kzn s ILE 86 Cb -0.01 -3.63 0.08 0.00 0.15 0.00 0.00 42.46 39.05 2kzn s ILE 86 CO -0.00 -0.00 1.08 0.00 -2.11 0.00 0.00 174.94 173.91 2kzn s ARG 87 N -2.75 0.99 0.02 3.50 3.03 -0.69 -4.69 118.95 118.35 2kzn s ARG 87 Ca 0.41 -0.59 0.02 0.00 2.03 0.00 0.00 55.73 57.61 2kzn s ARG 87 Cb -0.12 0.31 -0.01 0.00 -1.03 0.00 0.00 34.95 34.10 2kzn s ARG 87 CO 0.25 -0.46 -0.07 0.99 -1.13 0.00 0.00 175.30 174.88 2kzn s THR 88 N -2.64 0.53 0.10 4.99 2.01 -1.00 -0.70 115.64 118.93 2kzn s THR 88 Ca 0.17 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.61 2kzn s THR 88 Cb -0.00 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2kzn s THR 88 CO 0.02 -0.10 -0.14 -1.83 -0.69 0.00 0.00 174.62 171.88 2kzn s GLU 89 N -0.80 1.96 -0.31 4.92 -1.05 -0.30 -1.15 118.70 121.97 2kzn s GLU 89 Ca -0.03 -1.09 -0.06 0.00 -0.15 0.00 0.00 54.97 53.64 2kzn s GLU 89 Cb -0.06 -2.21 0.03 0.00 -0.44 0.00 0.00 34.13 31.46 2kzn s GLU 89 CO 0.00 0.50 0.07 0.14 0.95 0.00 0.00 175.26 176.92 2kzn s VAL 90 N -1.16 3.68 -0.09 1.83 -7.23 -1.09 -0.59 120.40 115.75 2kzn s VAL 90 Ca 0.19 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.23 2kzn s VAL 90 Cb -0.11 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 2kzn s VAL 90 CO 0.11 -0.04 0.34 0.00 -0.31 0.00 0.00 175.10 175.19 2kzn s ARG 91 N 1.41 4.01 0.78 4.82 1.70 -0.24 -3.48 118.95 127.95 2kzn s ARG 91 Ca -0.00 0.23 -0.09 0.00 -0.47 0.00 0.00 55.73 55.39 2kzn s ARG 91 Cb -0.18 -3.31 0.09 0.00 -0.57 0.00 0.00 34.95 30.98 2kzn s ARG 91 CO 0.02 0.49 1.11 0.45 -1.08 0.00 0.00 175.30 176.28 2kzn s SER 92 N -0.35 4.43 0.26 -2.89 0.15 -1.26 -3.28 113.70 110.77 2kzn s SER 92 Ca 0.20 0.47 0.13 0.00 0.70 0.00 0.00 55.95 57.45 2kzn s SER 92 Cb -0.15 -0.97 0.26 0.00 -1.71 0.00 0.00 66.02 63.46 2kzn s SER 92 CO 0.08 -1.88 1.54 -0.09 1.20 0.00 0.00 173.24 174.09 2kzn h ARG 93 N -0.89 0.00 0.00 5.44 9.65 -1.96 -3.36 114.38 123.25 2kzn h ARG 93 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 2kzn h ARG 93 Cb 1.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2kzn h ARG 93 CO 0.57 0.63 0.00 2.41 2.80 0.00 0.00 179.97 186.38 2kzn n THR 94 N -3.53 0.00 0.00 0.20 -1.04 -1.26 -4.94 114.28 103.71 2kzn n THR 94 Ca -0.00 1.28 0.00 0.00 -2.04 0.00 0.00 64.05 63.29 2kzn n THR 94 Cb 0.68 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 2kzn n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kzn n ALA 95 N -1.46 2.95 -0.00 2.41 0.00 -1.26 -5.13 120.51 118.03 2kzn n ALA 95 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kzn n ALA 95 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kzn n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kzn n ASP 96 N -2.43 0.12 -1.24 0.00 2.03 -1.26 -4.68 116.55 109.08 2kzn n ASP 96 Ca 0.00 0.02 -0.00 0.00 0.52 0.00 0.00 54.79 55.33 2kzn n ASP 96 Cb 0.00 -0.23 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kzn n SER 97 N -2.62 0.21 0.05 1.67 3.41 -1.26 -4.06 113.62 111.03 2kzn n SER 97 Ca -0.00 -1.97 0.18 0.00 -0.26 0.00 0.00 58.87 56.81 2kzn n SER 97 Cb 0.02 -0.07 0.68 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.57 0.00 0.00 7.33 3.86 -1.90 -2.88 115.15 122.13 2kzn h HIS 98 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2kzn h HIS 98 Cb 1.67 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.14 2kzn h HIS 98 CO 0.03 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.10 2kzn n LEU 99 N -4.41 1.65 0.00 2.43 4.77 -1.26 -4.86 117.00 115.31 2kzn n LEU 99 Ca 0.07 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2kzn n LEU 99 Cb 0.50 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2kzn n LEU 99 CO 0.36 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2kzn n GLY 100 N 1.32 -0.55 3.12 -0.72 0.00 -1.09 -4.22 105.19 103.05 2kzn n GLY 100 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.34 0.68 -0.02 1.61 3.76 -1.21 -2.66 115.29 114.11 2kzn s HIS 101 Ca 0.00 -0.95 0.03 0.00 -0.15 0.00 0.00 55.06 53.99 2kzn s HIS 101 Cb 0.00 -0.44 -0.00 0.00 1.11 0.00 0.00 32.58 33.25 2kzn s HIS 101 CO 0.00 -0.25 -0.09 0.14 -0.85 0.00 0.00 174.74 173.68 2kzn s VAL 102 N -3.55 0.77 -0.03 -0.90 -7.23 -0.30 -3.46 120.40 105.70 2kzn s VAL 102 Ca 0.07 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2kzn s VAL 102 Cb 0.05 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 2kzn s VAL 102 CO -0.07 0.23 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.58 2kzn s PHE 103 N -0.03 3.06 -0.21 2.82 0.08 -1.14 -2.37 117.98 120.20 2kzn s PHE 103 Ca 0.01 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.14 2kzn s PHE 103 Cb -0.06 -1.69 0.16 0.00 -0.57 0.00 0.00 43.02 40.85 2kzn s PHE 103 CO -0.00 0.44 1.90 -1.71 -0.10 0.00 0.00 175.22 175.75 2kzn n ASN 104 N 1.66 5.67 0.00 1.36 2.85 -1.26 -0.64 115.26 124.91 2kzn n ASN 104 Ca -0.16 -2.81 0.00 0.00 -0.11 0.00 0.00 54.58 51.51 2kzn n ASN 104 Cb 0.53 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.54 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kzn n ASP 105 N 0.60 4.18 -3.49 1.20 2.03 -1.26 -4.92 116.55 114.88 2kzn n ASP 105 Ca 0.20 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.35 2kzn n ASP 105 Cb 0.60 0.59 0.10 0.00 -0.72 0.00 0.00 41.12 41.69 2kzn n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kzn n GLY 106 N 2.38 -0.13 3.73 0.27 0.00 -1.22 -5.03 105.19 105.20 2kzn n GLY 106 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2kzn n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kzn s PRO 107 N -4.45 4.19 0.00 1.61 0.04 -1.26 -4.47 135.00 130.67 2kzn s PRO 107 Ca 0.46 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2kzn s PRO 107 Cb -0.02 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2kzn s PRO 107 CO 0.31 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.16 2kzn n GLY 108 N 3.14 -0.29 0.37 0.56 0.00 -1.26 -4.37 105.19 103.34 2kzn n GLY 108 Ca 0.12 0.80 0.07 0.00 0.00 0.00 0.00 46.02 47.01 2kzn n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kzn h PRO 109 N 0.00 0.89 0.05 1.61 0.11 -1.91 -2.65 132.00 130.11 2kzn h PRO 109 Ca 0.00 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.81 2kzn h PRO 109 Cb 0.00 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 2kzn h PRO 109 CO 0.00 0.59 -1.20 -0.97 -0.21 0.00 0.00 178.00 176.21 2kzn h ASN 110 N 0.92 0.16 0.00 -2.05 -1.24 -1.94 -3.48 115.58 107.95 2kzn h ASN 110 Ca 0.42 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2kzn h ASN 110 Cb 0.39 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2kzn h ASN 110 CO -0.18 1.15 0.00 0.61 -1.29 0.00 0.00 177.43 177.72 2kzn n GLY 111 N 1.46 1.68 3.74 1.57 0.00 -1.00 -5.13 105.19 107.51 2kzn n GLY 111 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.16 -0.25 0.99 1.43 -1.26 -4.07 118.68 118.67 2kzn s LEU 112 Ca 0.00 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.10 2kzn s LEU 112 Cb 0.00 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.76 2kzn s LEU 112 CO 0.00 -0.50 0.04 -0.60 0.23 0.00 0.00 176.35 175.52 2kzn s ARG 113 N -3.91 0.95 -0.74 1.70 3.52 0.19 -4.01 118.95 116.66 2kzn s ARG 113 Ca 0.41 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 54.87 2kzn s ARG 113 Cb 0.02 -2.23 0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2kzn s ARG 113 CO 0.23 -0.77 1.25 -0.47 -0.81 0.00 0.00 175.30 174.73 2kzn s TYR 114 N 1.61 2.33 -0.13 5.12 5.04 -0.11 -2.89 117.35 128.33 2kzn s TYR 114 Ca 0.02 -0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 54.52 2kzn s TYR 114 Cb -0.18 -4.60 0.03 0.00 0.35 0.00 0.00 41.96 37.57 2kzn s TYR 114 CO -0.14 -2.03 -0.06 0.00 -1.34 0.00 0.00 175.55 171.98 2kzn s ILE 116 N 1.71 1.81 0.29 0.00 -1.09 -1.26 -3.36 121.20 119.31 2kzn s ILE 116 Ca 0.04 -1.05 -0.29 0.00 -2.23 0.00 0.00 60.65 57.12 2kzn s ILE 116 Cb -0.13 -1.52 -0.09 0.00 -1.58 0.00 0.00 42.46 39.13 2kzn s ILE 116 CO -0.08 0.45 1.08 0.54 -1.23 0.00 0.00 174.94 175.70 2kzn s ASN 117 N -0.70 7.23 0.50 3.58 2.20 -1.26 -4.48 114.94 122.01 2kzn s ASN 117 Ca 0.09 2.23 0.21 0.00 -0.94 0.00 0.00 52.86 54.44 2kzn s ASN 117 Cb -0.09 -2.62 1.28 0.00 -2.00 0.00 0.00 41.25 37.82 2kzn s ASN 117 CO -0.00 -0.16 2.01 0.28 -2.94 0.00 0.00 177.10 176.29 2kzn h SER 118 N 3.69 0.11 -0.29 3.54 0.02 -1.88 -0.16 113.55 118.56 2kzn h SER 118 Ca -0.47 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 2kzn h SER 118 Cb 1.21 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2kzn h SER 118 CO 0.66 0.06 -0.14 0.00 -1.14 0.00 0.00 176.83 176.28 2kzn h ALA 119 N 1.76 1.01 -0.11 3.77 0.00 -1.92 -3.03 119.26 120.74 2kzn h ALA 119 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kzn h ALA 119 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kzn h ALA 119 CO -0.03 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2kzn n ALA 120 N -2.49 2.55 -2.81 0.00 0.00 -0.08 -4.74 120.51 112.93 2kzn n ALA 120 Ca 0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 2kzn n ALA 120 Cb 0.37 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.56 4.12 -0.16 0.00 1.43 -1.15 -1.49 118.68 119.87 2kzn s LEU 121 Ca 0.30 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.74 2kzn s LEU 121 Cb 0.16 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.44 2kzn s LEU 121 CO 0.24 0.40 0.03 -0.60 0.23 0.00 0.00 176.35 176.65 2kzn s ARG 122 N -0.99 0.63 -0.42 1.70 6.06 -0.37 -4.79 118.95 120.77 2kzn s ARG 122 Ca 0.15 -0.26 -0.15 0.00 -2.50 0.00 0.00 55.73 52.97 2kzn s ARG 122 Cb -0.12 -1.77 0.03 0.00 0.06 0.00 0.00 34.95 33.15 2kzn s ARG 122 CO 0.04 -0.54 0.34 -0.59 -2.50 0.00 0.00 175.30 172.04 2kzn s PHE 123 N 1.90 3.23 -0.32 5.12 -0.71 -1.26 -1.64 117.98 124.30 2kzn s PHE 123 Ca 0.01 -0.60 0.03 0.00 -1.04 0.00 0.00 56.93 55.33 2kzn s PHE 123 Cb -0.16 -2.72 0.08 0.00 -1.21 0.00 0.00 43.02 39.02 2kzn s PHE 123 CO -0.07 -0.64 0.01 0.08 -1.34 0.00 0.00 175.22 173.26 2kzn s VAL 124 N 1.76 2.39 0.63 -2.49 1.01 -0.82 -4.87 120.40 118.01 2kzn s VAL 124 Ca 0.06 -2.03 -0.17 0.00 0.00 0.00 0.00 61.98 59.84 2kzn s VAL 124 Cb -0.19 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2kzn s VAL 124 CO 0.10 -0.39 0.73 -2.65 0.00 0.00 0.00 175.10 172.89 2kzn n PRO 125 N 4.36 0.60 0.24 2.72 -0.02 -1.25 -1.27 135.00 140.38 2kzn n PRO 125 Ca -0.03 0.24 0.16 0.00 -2.02 0.00 0.00 63.50 61.84 2kzn n PRO 125 Cb 0.42 -1.95 0.83 0.00 -0.02 0.00 0.00 33.50 32.78 2kzn n PRO 125 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2kzn h LYS 126 N 0.14 0.00 0.02 -0.52 2.10 -1.91 0.65 116.57 117.05 2kzn h LYS 126 Ca -0.47 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 57.97 2kzn h LYS 126 Cb 1.37 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.68 2kzn h LYS 126 CO 0.47 0.00 -0.99 0.45 -2.00 0.00 0.00 179.45 177.38 2kzn h HIS 127 N 0.00 0.08 0.00 0.07 3.86 -1.92 -3.19 115.15 114.05 2kzn h HIS 127 Ca 0.00 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 2kzn h HIS 127 Cb 0.04 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2kzn h HIS 127 CO 0.00 1.00 -1.52 1.63 0.86 0.00 0.00 177.93 179.91 2kzn n LYS 128 N -3.43 0.63 0.22 2.45 5.02 0.02 -3.96 118.16 119.12 2kzn n LYS 128 Ca -0.01 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.38 2kzn n LYS 128 Cb 0.92 -1.70 0.51 0.00 -0.02 0.00 0.00 35.03 34.74 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2kzn h LEU 129 N 0.00 0.00 -0.52 -0.35 3.38 -1.05 -2.08 115.31 114.69 2kzn h LEU 129 Ca -0.07 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.00 2kzn h LEU 129 Cb 1.21 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 2kzn h LEU 129 CO 0.01 0.25 -0.14 0.11 0.09 0.00 0.00 178.44 178.75 2kzn h LYS 130 N 0.00 -0.02 -0.46 1.13 1.79 -1.67 0.28 116.57 117.61 2kzn h LYS 130 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2kzn h LYS 130 Cb 0.52 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2kzn h LYS 130 CO 0.03 -0.01 -0.03 1.49 -1.08 0.00 0.00 179.45 179.85 2kzn h GLU 131 N -0.02 0.77 0.00 3.15 4.81 -1.62 -2.78 114.58 118.89 2kzn h GLU 131 Ca 0.25 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kzn h GLU 131 Cb 0.40 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2kzn h GLU 131 CO -0.54 0.80 0.00 0.93 -0.73 0.00 0.00 179.01 179.46 2kzn h GLU 132 N 0.72 0.00 0.00 1.92 4.39 -0.76 -3.46 114.58 117.39 2kzn h GLU 132 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2kzn h GLU 132 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2kzn h GLU 132 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 2kzn n GLY 133 N 0.42 0.77 0.11 -3.84 0.00 -0.07 -4.98 105.19 97.60 2kzn n GLY 133 Ca 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.07 2kzn n GLY 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kzn n TYR 134 N 0.00 0.32 -0.27 1.61 4.11 0.77 -1.62 117.16 122.08 2kzn n TYR 134 Ca 0.00 0.32 0.08 0.00 -0.00 0.00 0.00 57.90 58.30 2kzn n TYR 134 Cb 0.00 -0.76 0.23 0.00 -0.00 0.00 0.00 39.34 38.81 2kzn n TYR 134 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2kzn h GLU 135 N 0.00 0.33 0.11 -3.48 4.81 -1.91 0.17 114.58 114.60 2kzn h GLU 135 Ca 0.26 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 59.13 2kzn h GLU 135 Cb 0.72 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2kzn h GLU 135 CO -0.21 0.22 -1.82 0.77 -0.73 0.00 0.00 179.01 177.24 2kzn h SER 136 N 0.34 0.37 0.23 1.04 0.02 -1.71 -3.35 113.55 110.48 2kzn h SER 136 Ca 0.47 -0.88 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2kzn h SER 136 Cb 0.82 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2kzn h SER 136 CO -0.51 1.78 -0.11 1.88 -1.14 0.00 0.00 176.83 178.73 2kzn h TYR 137 N -0.12 -0.28 0.00 3.45 -1.99 -1.37 -2.92 116.97 113.74 2kzn h TYR 137 Ca -0.40 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.33 2kzn h TYR 137 Cb 1.91 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 40.73 2kzn h TYR 137 CO 0.09 0.09 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.26 2kzn h LEU 138 N -0.91 0.00 -0.11 3.88 4.07 -0.95 -0.57 115.31 120.72 2kzn h LEU 138 Ca -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 2kzn h LEU 138 Cb 0.50 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 2kzn h LEU 138 CO 0.05 0.01 0.00 -0.74 -1.08 0.00 0.00 178.44 176.68 2kzn h HIS 139 N 0.00 0.22 -0.20 1.13 2.76 -1.59 0.47 115.15 117.93 2kzn h HIS 139 Ca -0.00 -0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 57.95 2kzn h HIS 139 Cb 0.38 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 2kzn h HIS 139 CO 0.00 0.44 -0.62 -0.07 -1.30 0.00 0.00 177.93 176.38 2kzn h LEU 140 N -0.07 0.79 -1.20 0.26 3.38 -1.26 -2.91 115.31 114.30 2kzn h LEU 140 Ca 0.03 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2kzn h LEU 140 Cb 0.35 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2kzn h LEU 140 CO 0.01 1.22 0.46 0.15 0.09 0.00 0.00 178.44 180.36 2kzn h PHE 141 N 0.51 0.97 -0.80 1.13 3.57 -1.17 -3.31 116.94 117.84 2kzn h PHE 141 Ca -0.01 0.01 -0.71 0.00 3.53 0.00 0.00 57.97 60.79 2kzn h PHE 141 Cb 1.21 -0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.53 2kzn h PHE 141 CO 0.06 0.64 2.41 -1.71 -2.23 0.00 0.00 178.31 177.48 2kzn n ASN 142 N -4.39 4.61 -3.75 0.41 4.05 0.15 -4.81 115.26 111.54 2kzn n ASN 142 Ca 0.08 -2.93 -0.42 0.00 0.45 0.00 0.00 54.58 51.76 2kzn n ASN 142 Cb 0.06 -1.65 0.00 0.00 1.23 0.00 0.00 39.78 39.42 2kzn n ASN 142 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2kzn n LYS 143 N 6.48 3.85 -3.64 1.20 4.81 -1.25 -4.88 118.16 124.73 2kzn n LYS 143 Ca 0.47 -3.45 -0.08 0.00 -0.87 0.00 0.00 58.31 54.38 2kzn n LYS 143 Cb 0.41 -2.86 -0.07 0.00 0.02 0.00 0.00 35.03 32.54 2kzn n LYS 143 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kzn s LEU 144 N -0.58 -0.37 -0.13 3.14 2.96 -1.26 -5.15 118.68 117.29 2kzn s LEU 144 Ca 0.44 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2kzn s LEU 144 Cb 0.12 1.73 0.01 0.00 0.50 0.00 0.00 46.19 48.54 2kzn s LEU 144 CO -0.02 -0.13 -0.22 -1.83 -1.32 0.00 0.00 176.35 172.82 2kzn s GLU 145 N 0.12 3.03 0.15 1.98 1.03 -1.26 -5.04 118.70 118.70 2kzn s GLU 145 Ca 0.04 -0.86 -0.12 0.00 0.03 0.00 0.00 54.97 54.05 2kzn s GLU 145 Cb -0.05 -2.40 0.01 0.00 -0.80 0.00 0.00 34.13 30.89 2kzn s GLU 145 CO -0.08 0.04 1.58 1.25 -1.33 0.00 0.00 175.26 176.73 2kzn h HIS 146 N 7.15 0.95 0.00 4.83 2.76 -2.02 -3.56 115.15 125.25 2kzn h HIS 146 Ca -0.29 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2kzn h HIS 146 Cb 1.20 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.92 2kzn h HIS 146 CO 0.47 0.91 0.00 -2.39 -1.30 0.00 0.00 177.93 175.62