#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 3.25 -0.91 3.17 0.00 -1.26 -4.91 121.76 121.10 2kzn s ALA 2 Ca 0.00 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 2kzn s ALA 2 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2kzn s ALA 2 CO 0.00 -0.84 1.82 0.71 0.00 0.00 0.00 175.76 177.45 2kzn s TYR 3 N -1.27 1.97 0.19 0.00 2.02 -1.26 -4.90 117.35 114.11 2kzn s TYR 3 Ca 0.57 0.30 0.08 0.00 -0.37 0.00 0.00 57.07 57.65 2kzn s TYR 3 Cb -0.38 -4.20 -0.04 0.00 -0.40 0.00 0.00 41.96 36.94 2kzn s TYR 3 CO 0.49 -1.82 0.01 -0.80 -1.57 0.00 0.00 175.55 171.86 2kzn s ASN 4 N 7.29 4.80 0.23 2.29 -0.87 -1.26 -5.04 114.94 122.38 2kzn s ASN 4 Ca 0.64 -0.42 -0.08 0.00 -1.57 0.00 0.00 52.86 51.44 2kzn s ASN 4 Cb -0.05 -1.02 0.22 0.00 -0.02 0.00 0.00 41.25 40.37 2kzn s ASN 4 CO -0.01 0.07 1.91 0.50 -2.57 0.00 0.00 177.10 176.99 2kzn h LYS 5 N 2.51 1.18 0.18 -0.60 1.63 -1.99 -0.61 116.57 118.88 2kzn h LYS 5 Ca -0.47 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 2kzn h LYS 5 Cb 1.21 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2kzn h LYS 5 CO 0.59 0.78 -0.09 0.93 -3.45 0.00 0.00 179.45 178.21 2kzn h GLU 6 N 1.22 -0.24 0.00 1.90 3.07 -1.97 -1.32 114.58 117.24 2kzn h GLU 6 Ca 0.33 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 2kzn h GLU 6 Cb -0.13 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2kzn h GLU 6 CO -0.08 -0.05 -0.21 0.93 -1.40 0.00 0.00 179.01 178.21 2kzn h GLU 7 N -0.39 0.00 0.10 2.33 4.39 -1.88 -2.58 114.58 116.55 2kzn h GLU 7 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kzn h GLU 7 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2kzn h GLU 7 CO 0.04 0.21 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.83 2kzn h LYS 8 N 0.00 -0.13 -1.00 2.33 1.63 -0.76 -3.28 116.57 115.35 2kzn h LYS 8 Ca -0.00 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.92 2kzn h LYS 8 Cb 0.53 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.11 2kzn h LYS 8 CO 0.03 0.33 0.63 0.82 -3.45 0.00 0.00 179.45 177.81 2kzn h ILE 9 N -0.65 0.94 -0.96 2.00 1.08 -1.08 0.01 117.51 118.84 2kzn h ILE 9 Ca -0.01 -0.35 0.15 0.00 -0.39 0.00 0.00 64.86 64.26 2kzn h ILE 9 Cb 0.52 -0.16 -0.08 0.00 -3.07 0.00 0.00 36.82 34.02 2kzn h ILE 9 CO 0.02 0.19 0.61 0.50 -0.69 0.00 0.00 178.15 178.77 2kzn h LYS 10 N 1.01 0.78 -0.03 2.37 1.63 -1.54 -2.11 116.57 118.68 2kzn h LYS 10 Ca 0.49 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 2kzn h LYS 10 Cb 0.45 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2kzn h LYS 10 CO -0.25 0.52 -0.39 0.43 -3.45 0.00 0.00 179.45 176.30 2kzn n SER 11 N -4.62 1.88 0.01 4.20 7.64 -0.65 -4.54 113.62 117.53 2kzn n SER 11 Ca 0.19 -3.78 -0.03 0.00 1.01 0.00 0.00 58.87 56.27 2kzn n SER 11 Cb 0.46 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2kzn n SER 11 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kzn n LEU 12 N -1.16 1.35 0.11 -3.43 7.94 -0.10 -4.78 117.00 116.93 2kzn n LEU 12 Ca 0.20 0.20 0.12 0.00 -1.11 0.00 0.00 56.01 55.41 2kzn n LEU 12 Cb 0.71 -0.46 0.46 0.00 0.53 0.00 0.00 43.42 44.66 2kzn n LEU 12 CO -0.01 -0.60 0.87 0.59 -1.11 0.00 0.00 177.39 177.12 2kzn n ASN 13 N -3.77 0.68 -0.20 1.96 3.02 -0.89 -2.98 115.26 113.08 2kzn n ASN 13 Ca -0.04 0.62 0.13 0.00 -0.03 0.00 0.00 54.58 55.26 2kzn n ASN 13 Cb 0.16 -0.78 0.44 0.00 -0.61 0.00 0.00 39.78 38.99 2kzn n ASN 13 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2kzn h ARG 14 N 0.00 0.54 0.00 3.52 2.43 -1.80 0.22 114.38 119.29 2kzn h ARG 14 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2kzn h ARG 14 Cb 0.50 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2kzn h ARG 14 CO 0.00 0.35 -0.18 1.98 -1.51 0.00 0.00 179.97 180.61 2kzn h MET 15 N 0.55 0.00 0.27 0.20 4.05 -1.88 -3.34 114.93 114.78 2kzn h MET 15 Ca 0.39 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 2kzn h MET 15 Cb 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2kzn h MET 15 CO -0.15 0.27 -0.13 1.96 0.23 0.00 0.00 176.91 179.10 2kzn h GLN 16 N -1.00 -0.35 -0.69 0.39 4.20 -1.53 -1.59 115.11 114.55 2kzn h GLN 16 Ca -0.02 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.83 2kzn h GLN 16 Cb 0.39 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.16 2kzn h GLN 16 CO -0.02 -0.17 0.25 -0.92 -0.67 0.00 0.00 178.83 177.31 2kzn h TYR 17 N -0.45 0.43 -0.87 2.96 3.20 -0.82 0.03 116.97 121.45 2kzn h TYR 17 Ca -0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2kzn h TYR 17 Cb 0.34 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2kzn h TYR 17 CO -0.03 0.06 0.47 1.49 -1.64 0.00 0.00 178.16 178.50 2kzn h GLU 18 N 0.41 1.21 0.42 1.82 4.81 -1.61 -1.94 114.58 119.69 2kzn h GLU 18 Ca 0.37 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2kzn h GLU 18 Cb 0.52 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2kzn h GLU 18 CO -0.38 0.89 -0.20 0.28 -0.73 0.00 0.00 179.01 178.88 2kzn h VAL 19 N 1.22 0.00 0.00 0.32 2.07 -0.30 -3.16 116.25 116.40 2kzn h VAL 19 Ca 0.30 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2kzn h VAL 19 Cb 0.04 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2kzn h VAL 19 CO -0.05 0.00 -0.00 0.71 0.02 0.00 0.00 177.57 178.25 2kzn h THR 20 N -0.87 0.34 -0.17 2.57 1.35 -1.09 0.28 112.91 115.31 2kzn h THR 20 Ca -0.06 -0.02 -0.17 0.00 -0.55 0.00 0.00 66.41 65.61 2kzn h THR 20 Cb 0.43 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2kzn h THR 20 CO 0.09 0.00 -0.60 -0.61 -0.25 0.00 0.00 175.52 174.16 2kzn h GLN 21 N 0.00 0.58 0.00 4.72 4.15 -1.39 -3.24 115.11 119.93 2kzn h GLN 21 Ca -0.00 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2kzn h GLN 21 Cb 0.01 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2kzn h GLN 21 CO 0.00 1.01 -0.88 -1.71 -1.93 0.00 0.00 178.83 175.32 2kzn n ASN 22 N -3.94 0.87 -2.64 -0.69 5.15 -0.65 -4.98 115.26 108.38 2kzn n ASN 22 Ca -0.04 -0.93 -0.17 0.00 -0.60 0.00 0.00 54.58 52.84 2kzn n ASN 22 Cb 0.64 1.01 0.05 0.00 -0.53 0.00 0.00 39.78 40.94 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 -1.44 -5.16 -4.11 1.20 5.03 0.82 -5.03 115.26 106.58 2kzn n ASN 23 Ca 0.03 -0.34 -0.29 0.00 0.87 0.00 0.00 54.58 54.85 2kzn n ASN 23 Cb 0.29 -3.83 0.19 0.00 -1.02 0.00 0.00 39.78 35.41 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kzn s GLY 24 N -3.11 1.80 -0.01 7.41 0.00 -0.30 -4.98 107.32 108.13 2kzn s GLY 24 Ca 0.37 -1.38 0.06 0.00 0.00 0.00 0.00 44.72 43.77 2kzn s GLY 24 CO 0.46 -0.60 -0.18 -1.08 0.00 0.00 0.00 173.10 171.70 2kzn s THR 25 N -3.82 2.76 0.64 0.90 -1.32 -1.26 -4.79 115.64 108.75 2kzn s THR 25 Ca 0.75 -0.96 -0.18 0.00 -1.21 0.00 0.00 61.69 60.09 2kzn s THR 25 Cb -0.03 -2.09 -0.01 0.00 -1.51 0.00 0.00 72.50 68.86 2kzn s THR 25 CO 0.52 0.50 1.29 -1.83 -2.21 0.00 0.00 174.62 172.90 2kzn s GLU 26 N -0.94 2.58 0.20 7.08 4.04 -1.26 -4.95 118.70 125.45 2kzn s GLU 26 Ca 0.12 2.05 -0.31 0.00 0.04 0.00 0.00 54.97 56.87 2kzn s GLU 26 Cb -0.10 -1.85 -0.16 0.00 0.02 0.00 0.00 34.13 32.04 2kzn s GLU 26 CO 0.02 -1.58 1.02 -2.30 -1.84 0.00 0.00 175.26 170.58 2kzn n PRO 27 N -1.89 0.99 -2.38 -4.83 -0.02 -1.26 -4.94 135.00 120.67 2kzn n PRO 27 Ca 0.16 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 2kzn n PRO 27 Cb 0.48 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.78 3.94 -1.44 0.52 0.04 -1.26 -3.44 135.00 132.57 2kzn s PRO 28 Ca 0.69 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 2kzn s PRO 28 Cb -0.84 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2kzn s PRO 28 CO 0.55 -0.37 0.08 1.19 0.04 0.00 0.00 177.00 178.49 2kzn n PHE 29 N -0.31 -0.94 -0.12 0.56 3.72 -1.26 -4.93 117.46 114.18 2kzn n PHE 29 Ca 0.06 0.07 -0.22 0.00 -0.05 0.00 0.00 57.45 57.31 2kzn n PHE 29 Cb 0.49 -3.52 -0.09 0.00 -0.94 0.00 0.00 39.48 35.42 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 -2.78 0.56 -4.37 -1.08 7.27 -1.22 -5.01 117.38 110.75 2kzn n GLN 30 Ca -0.19 0.38 -0.19 0.00 0.07 0.00 0.00 57.00 57.08 2kzn n GLN 30 Cb 0.65 -1.58 -0.15 0.00 2.41 0.00 0.00 30.24 31.57 2kzn n GLN 30 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2kzn s ASN 31 N -6.91 1.07 0.00 1.69 0.01 -1.26 -5.01 114.94 104.53 2kzn s ASN 31 Ca -0.32 -0.17 0.28 0.00 -0.71 0.00 0.00 52.86 51.95 2kzn s ASN 31 Cb 0.09 -0.13 1.10 0.00 0.41 0.00 0.00 41.25 42.73 2kzn s ASN 31 CO 0.49 0.11 1.78 -1.84 -1.51 0.00 0.00 177.10 176.13 2kzn n GLU 32 N 2.87 0.76 -0.07 -0.60 0.28 -1.26 -4.10 120.64 118.52 2kzn n GLU 32 Ca -0.14 -0.32 0.02 0.00 -0.16 0.00 0.00 57.16 56.57 2kzn n GLU 32 Cb 0.57 -1.49 0.35 0.00 1.43 0.00 0.00 31.44 32.30 2kzn n GLU 32 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2kzn h TYR 33 N 0.79 0.66 0.00 -1.84 -1.99 -1.95 -1.96 116.97 110.68 2kzn h TYR 33 Ca 0.00 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 2kzn h TYR 33 Cb 0.40 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 2kzn h TYR 33 CO 0.00 0.44 -0.13 -1.49 -0.00 0.00 0.00 178.16 176.98 2kzn h TRP 34 N 0.70 0.00 -0.11 4.88 -0.00 -1.94 -2.98 115.95 116.50 2kzn h TRP 34 Ca 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.97 2kzn h TRP 34 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 2kzn h TRP 34 CO 0.00 0.13 -0.34 -0.44 -0.00 0.00 0.00 178.44 177.80 2kzn h ASP 35 N 0.00 0.48 -1.98 -3.49 5.19 -1.63 -3.44 116.42 111.56 2kzn h ASP 35 Ca -0.00 -0.60 -0.52 0.00 -0.62 0.00 0.00 57.03 55.29 2kzn h ASP 35 Cb 1.04 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 2kzn h ASP 35 CO 0.02 1.00 1.47 -1.00 -3.12 0.00 0.00 179.24 177.61 2kzn s HIS 36 N -3.82 1.36 -0.69 4.55 3.76 -0.85 -4.85 115.29 114.75 2kzn s HIS 36 Ca -0.14 1.00 -0.02 0.00 -0.15 0.00 0.00 55.06 55.75 2kzn s HIS 36 Cb 0.05 -3.87 0.43 0.00 1.11 0.00 0.00 32.58 30.30 2kzn s HIS 36 CO 0.79 -2.90 2.02 1.63 -0.85 0.00 0.00 174.74 175.43 2kzn n LYS 37 N 8.89 2.72 -1.67 1.40 4.76 -1.26 -4.81 118.16 128.19 2kzn n LYS 37 Ca 0.29 -3.35 -0.46 0.00 -2.87 0.00 0.00 58.31 51.92 2kzn n LYS 37 Cb 0.51 -2.29 -0.04 0.00 -1.84 0.00 0.00 35.03 31.37 2kzn n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2kzn n GLU 38 N -0.86 2.13 -1.70 1.97 -0.58 -1.26 -4.70 120.64 115.65 2kzn n GLU 38 Ca 0.61 0.77 -0.44 0.00 -0.42 0.00 0.00 57.16 57.68 2kzn n GLU 38 Cb 0.60 -2.53 -0.03 0.00 -0.57 0.00 0.00 31.44 28.91 2kzn n GLU 38 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kzn n GLU 39 N 3.31 2.57 0.00 3.49 1.02 -1.26 -4.43 120.64 125.34 2kzn n GLU 39 Ca 0.17 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.23 2kzn n GLU 39 Cb 0.29 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 2kzn n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kzn n GLY 40 N 3.87 0.24 3.45 0.62 0.00 -1.26 -0.92 105.19 111.18 2kzn n GLY 40 Ca 0.17 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 2.31 -0.05 0.99 1.43 -0.81 -1.94 118.68 120.61 2kzn s LEU 41 Ca 0.00 -1.32 0.06 0.00 -1.03 0.00 0.00 54.13 51.84 2kzn s LEU 41 Cb 0.00 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2kzn s LEU 41 CO 0.00 -0.53 -0.25 -0.72 0.23 0.00 0.00 176.35 175.09 2kzn s TYR 42 N -3.19 2.36 0.14 0.29 1.13 -0.46 -1.53 117.35 116.10 2kzn s TYR 42 Ca 0.34 -0.66 0.03 0.00 -1.41 0.00 0.00 57.07 55.36 2kzn s TYR 42 Cb 0.07 -1.55 -0.04 0.00 -1.10 0.00 0.00 41.96 39.34 2kzn s TYR 42 CO 0.14 -0.19 -0.05 0.14 -2.51 0.00 0.00 175.55 173.08 2kzn s VAL 43 N -0.21 0.87 0.12 -3.49 -7.23 -0.07 -2.90 120.40 107.49 2kzn s VAL 43 Ca -0.02 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 2kzn s VAL 43 Cb -0.13 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 2kzn s VAL 43 CO 0.03 -0.68 1.00 1.51 -0.31 0.00 0.00 175.10 176.64 2kzn s ASP 44 N -3.14 7.44 0.40 4.85 1.47 -1.19 -0.41 116.67 126.09 2kzn s ASP 44 Ca 0.18 1.86 0.20 0.00 1.18 0.00 0.00 52.55 55.97 2kzn s ASP 44 Cb 0.05 -2.59 0.80 0.00 -0.34 0.00 0.00 42.92 40.84 2kzn s ASP 44 CO 0.00 -0.11 1.79 0.40 0.68 0.00 0.00 175.17 177.94 2kzn h ILE 45 N 3.97 0.82 -0.73 2.11 2.04 -1.42 -0.89 117.51 123.41 2kzn h ILE 45 Ca -0.43 -1.33 0.06 0.00 1.00 0.00 0.00 64.86 64.16 2kzn h ILE 45 Cb 1.21 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.07 2kzn h ILE 45 CO 0.72 0.32 0.48 -0.37 0.00 0.00 0.00 178.15 179.30 2kzn h VAL 46 N 0.00 1.04 0.00 1.67 -1.51 -1.90 -3.34 116.25 112.21 2kzn h VAL 46 Ca -0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2kzn h VAL 46 Cb 0.80 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2kzn h VAL 46 CO 0.04 0.14 -0.06 -1.54 -1.23 0.00 0.00 177.57 174.93 2kzn n SER 47 N -4.48 0.29 -0.73 4.19 3.41 -1.26 -4.88 113.62 110.17 2kzn n SER 47 Ca 0.11 -0.02 -0.01 0.00 -0.26 0.00 0.00 58.87 58.69 2kzn n SER 47 Cb 0.21 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kzn n GLY 48 N 0.19 0.76 3.73 5.00 0.00 -0.34 -5.06 105.19 109.47 2kzn n GLY 48 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.72 4.26 -0.07 1.61 1.02 -1.24 -4.90 119.74 115.69 2kzn s LYS 49 Ca 0.01 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 2kzn s LYS 49 Cb -0.00 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 2kzn s LYS 49 CO 0.02 0.24 1.74 -2.14 -0.92 0.00 0.00 175.35 174.28 2kzn s PRO 50 N 0.45 4.07 -0.15 -1.68 0.02 -1.26 -3.14 135.00 133.31 2kzn s PRO 50 Ca 0.18 2.19 0.07 0.00 0.02 0.00 0.00 61.00 63.47 2kzn s PRO 50 Cb -0.13 -4.05 -0.14 0.00 0.02 0.00 0.00 34.50 30.20 2kzn s PRO 50 CO 0.05 -0.99 -0.04 1.28 -0.33 0.00 0.00 177.00 176.97 2kzn n LEU 51 N 7.61 1.30 -3.69 -5.54 4.77 -1.14 -4.72 117.00 115.58 2kzn n LEU 51 Ca 0.19 -0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2kzn n LEU 51 Cb 0.43 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2kzn n LEU 51 CO 0.64 0.53 1.01 0.12 -1.33 0.00 0.00 177.39 178.37 2kzn s PHE 52 N -2.34 -0.04 0.30 -1.77 5.36 -1.23 -0.23 117.98 118.04 2kzn s PHE 52 Ca -0.14 -0.11 -0.24 0.00 -0.96 0.00 0.00 56.93 55.48 2kzn s PHE 52 Cb 0.05 0.57 -0.09 0.00 -0.34 0.00 0.00 43.02 43.20 2kzn s PHE 52 CO 0.49 -0.37 0.89 0.95 -1.46 0.00 0.00 175.22 175.71 2kzn s THR 53 N -2.47 4.31 -0.59 0.12 -4.23 -1.26 -1.35 115.64 110.17 2kzn s THR 53 Ca 0.16 1.68 0.25 0.00 -1.18 0.00 0.00 61.69 62.60 2kzn s THR 53 Cb 0.03 -3.97 0.23 0.00 1.34 0.00 0.00 72.50 70.14 2kzn s THR 53 CO -0.02 0.15 1.58 -1.28 -0.54 0.00 0.00 174.62 174.51 2kzn h SER 54 N 3.22 0.00 -0.08 3.99 0.87 -1.55 -3.33 113.55 116.67 2kzn h SER 54 Ca -0.47 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.07 2kzn h SER 54 Cb 1.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2kzn h SER 54 CO 0.65 0.02 -0.08 0.50 -0.53 0.00 0.00 176.83 177.39 2kzn h LYS 55 N 0.00 -0.10 -1.16 2.24 3.64 -1.80 -3.05 116.57 116.35 2kzn h LYS 55 Ca 0.00 0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 58.87 2kzn h LYS 55 Cb 0.84 0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 32.44 2kzn h LYS 55 CO 0.00 -0.07 0.67 -0.25 -2.27 0.00 0.00 179.45 177.53 2kzn n ASP 56 N -5.21 6.51 -4.64 4.20 8.00 -1.25 -4.90 116.55 119.26 2kzn n ASP 56 Ca -0.04 -3.47 -0.35 0.00 0.71 0.00 0.00 54.79 51.63 2kzn n ASP 56 Cb 0.14 -0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 40.18 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 -2.99 4.00 0.48 -1.24 2.47 -1.15 -4.84 119.74 116.47 2kzn s LYS 57 Ca 0.51 -0.32 0.08 0.00 -1.56 0.00 0.00 55.97 54.67 2kzn s LYS 57 Cb 0.41 -3.28 0.02 0.00 -1.46 0.00 0.00 37.83 33.52 2kzn s LYS 57 CO 0.01 0.24 0.52 0.12 0.16 0.00 0.00 175.35 176.39 2kzn s PHE 58 N 0.49 2.20 0.58 4.03 5.36 -1.26 -5.07 117.98 124.30 2kzn s PHE 58 Ca 0.04 -0.60 -0.18 0.00 -0.96 0.00 0.00 56.93 55.23 2kzn s PHE 58 Cb -0.12 -2.17 -0.07 0.00 -0.34 0.00 0.00 43.02 40.32 2kzn s PHE 58 CO 0.00 -0.49 0.71 -0.25 -1.46 0.00 0.00 175.22 173.74 2kzn n ASP 59 N -1.81 -0.25 -3.87 6.13 8.00 -1.26 -4.85 116.55 118.63 2kzn n ASP 59 Ca 0.06 0.78 -0.42 0.00 0.71 0.00 0.00 54.79 55.92 2kzn n ASP 59 Cb 0.62 -1.26 -0.01 0.00 -0.02 0.00 0.00 41.12 40.45 2kzn n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2kzn n SER 60 N -0.00 3.84 0.16 -2.24 3.41 -1.26 -4.72 113.62 112.81 2kzn n SER 60 Ca 0.12 -2.83 0.02 0.00 -0.26 0.00 0.00 58.87 55.93 2kzn n SER 60 Cb 0.47 -1.60 0.36 0.00 -0.26 0.00 0.00 64.21 63.18 2kzn n SER 60 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2kzn h GLN 61 N 6.60 0.09 -0.96 4.33 3.07 -1.89 -2.92 115.11 123.44 2kzn h GLN 61 Ca 0.52 -0.03 -0.43 0.00 0.09 0.00 0.00 58.65 58.80 2kzn h GLN 61 Cb 0.69 -0.01 -0.26 0.00 0.08 0.00 0.00 27.48 27.99 2kzn h GLN 61 CO 1.81 0.39 0.54 0.00 0.09 0.00 0.00 178.83 181.66 2kzn n GLY 63 N -0.85 2.16 3.85 0.00 0.00 -1.10 -4.86 105.19 104.39 2kzn n GLY 63 Ca 0.52 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 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 3.47 -0.06 1.61 0.51 -1.26 -4.84 118.94 118.38 2kzn s TRP 64 Ca 0.00 0.36 -0.29 0.00 -2.12 0.00 0.00 56.10 54.04 2kzn s TRP 64 Cb 0.00 -1.84 -0.07 0.00 -0.81 0.00 0.00 33.47 30.76 2kzn s TRP 64 CO 0.00 0.64 1.90 -1.25 -0.51 0.00 0.00 176.95 177.73 2kzn s PRO 65 N -1.57 3.94 0.09 4.98 0.04 -1.26 -4.69 135.00 136.54 2kzn s PRO 65 Ca 0.22 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.59 2kzn s PRO 65 Cb -0.12 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 2kzn s PRO 65 CO 0.12 -1.16 0.13 -1.12 0.04 0.00 0.00 177.00 175.01 2kzn s SER 66 N 4.81 5.77 0.09 6.66 0.01 -1.18 -4.11 113.70 125.75 2kzn s SER 66 Ca 0.85 0.05 0.07 0.00 1.31 0.00 0.00 55.95 58.23 2kzn s SER 66 Cb -0.37 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 2kzn s SER 66 CO 0.36 0.15 -0.18 -0.36 0.41 0.00 0.00 173.24 173.62 2kzn s PHE 67 N -1.50 1.53 0.30 2.43 0.08 -1.26 -4.86 117.98 114.70 2kzn s PHE 67 Ca 0.31 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.93 2kzn s PHE 67 Cb -0.12 -0.84 0.47 0.00 -0.57 0.00 0.00 43.02 41.96 2kzn s PHE 67 CO 0.24 0.15 1.81 1.79 -0.10 0.00 0.00 175.22 179.11 2kzn h THR 68 N 4.10 1.22 -0.40 0.64 1.35 -1.89 -3.32 112.91 114.61 2kzn h THR 68 Ca -0.43 -0.93 0.09 0.00 -0.55 0.00 0.00 66.41 64.59 2kzn h THR 68 Cb 1.19 0.96 -0.18 0.00 -1.73 0.00 0.00 68.15 68.39 2kzn h THR 68 CO 0.41 0.32 -0.18 -0.75 -0.25 0.00 0.00 175.52 175.06 2kzn s LYS 69 N -4.92 0.32 0.62 4.72 2.20 -1.26 -1.91 119.74 119.51 2kzn s LYS 69 Ca -0.08 -0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.26 2kzn s LYS 69 Cb 0.15 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 2kzn s LYS 69 CO 0.79 -0.47 1.13 -2.30 -0.36 0.00 0.00 175.35 174.13 2kzn n PRO 70 N 3.93 1.03 -1.47 4.03 -0.02 -1.26 -4.90 135.00 136.34 2kzn n PRO 70 Ca 0.07 0.40 -0.48 0.00 -2.02 0.00 0.00 63.50 61.46 2kzn n PRO 70 Cb 0.62 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 2kzn n PRO 70 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kzn n ILE 71 N -1.78 0.18 0.52 4.25 5.41 0.69 -4.83 119.36 123.80 2kzn n ILE 71 Ca 0.15 -0.31 0.11 0.00 1.00 0.00 0.00 62.75 63.70 2kzn n ILE 71 Cb 0.47 -1.79 0.44 0.00 -0.71 0.00 0.00 39.64 38.06 2kzn n ILE 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2kzn n GLU 72 N 8.34 0.14 0.07 0.38 0.28 -1.26 -1.28 120.64 127.31 2kzn n GLU 72 Ca 0.40 0.30 -0.18 0.00 -0.16 0.00 0.00 57.16 57.53 2kzn n GLU 72 Cb 0.27 -1.73 -0.14 0.00 1.43 0.00 0.00 31.44 31.27 2kzn n GLU 72 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2kzn h GLU 73 N 0.00 0.28 0.00 3.44 4.81 -1.96 -3.37 114.58 117.78 2kzn h GLU 73 Ca 0.00 -0.48 -0.23 0.00 -0.13 0.00 0.00 59.36 58.52 2kzn h GLU 73 Cb 0.41 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2kzn h GLU 73 CO 0.00 1.16 -1.77 0.39 -0.73 0.00 0.00 179.01 178.07 2kzn n GLU 74 N -3.49 0.64 -3.83 1.92 -0.58 -1.03 -4.87 120.64 109.40 2kzn n GLU 74 Ca -0.16 0.16 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2kzn n GLU 74 Cb 1.05 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 30.12 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 -2.79 5.23 -0.06 2.62 1.01 -0.40 -4.86 120.40 121.15 2kzn s VAL 75 Ca -0.05 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2kzn s VAL 75 Cb 0.08 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2kzn s VAL 75 CO 0.83 0.47 -0.11 -0.70 0.00 0.00 0.00 175.10 175.58 2kzn s GLU 76 N 0.18 1.54 0.33 2.72 2.12 -1.26 -4.56 118.70 119.78 2kzn s GLU 76 Ca 0.08 -0.38 -0.09 0.00 0.36 0.00 0.00 54.97 54.94 2kzn s GLU 76 Cb -0.11 -1.30 -0.06 0.00 0.26 0.00 0.00 34.13 32.91 2kzn s GLU 76 CO -0.01 0.03 0.67 -1.83 -0.54 0.00 0.00 175.26 173.58 2kzn s GLU 77 N 0.62 3.76 -0.27 4.30 -1.05 -1.26 -0.40 118.70 124.41 2kzn s GLU 77 Ca -0.13 0.32 -0.00 0.00 -0.15 0.00 0.00 54.97 55.01 2kzn s GLU 77 Cb -0.15 -2.51 0.14 0.00 -0.44 0.00 0.00 34.13 31.17 2kzn s GLU 77 CO 0.03 0.12 0.37 0.21 0.95 0.00 0.00 175.26 176.94 2kzn s LYS 78 N -3.50 0.37 0.36 -4.83 2.36 0.86 -4.87 119.74 110.49 2kzn s LYS 78 Ca 0.49 0.25 -0.28 0.00 -2.55 0.00 0.00 55.97 53.87 2kzn s LYS 78 Cb -0.11 -0.46 -0.11 0.00 -1.05 0.00 0.00 37.83 36.11 2kzn s LYS 78 CO 0.28 -0.87 1.47 -1.17 1.55 0.00 0.00 175.35 176.61 2kzn s LEU 79 N 2.51 4.34 0.05 5.43 2.96 -1.26 -1.16 118.68 131.54 2kzn s LEU 79 Ca 0.11 2.99 -0.10 0.00 -0.22 0.00 0.00 54.13 56.91 2kzn s LEU 79 Cb -0.14 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2kzn s LEU 79 CO -0.24 -0.83 0.21 -0.62 -1.32 0.00 0.00 176.35 173.54 2kzn s ASP 80 N -0.12 0.03 -1.45 3.68 2.15 0.52 -4.90 116.67 116.58 2kzn s ASP 80 Ca 0.53 -0.40 -0.08 0.00 0.43 0.00 0.00 52.55 53.04 2kzn s ASP 80 Cb -0.46 0.31 0.02 0.00 -0.30 0.00 0.00 42.92 42.49 2kzn s ASP 80 CO 0.60 -0.59 0.91 0.41 -0.17 0.00 0.00 175.17 176.32 2kzn n THR 81 N 0.54 -2.36 0.31 1.71 -1.04 -1.26 -2.56 114.28 109.62 2kzn n THR 81 Ca -0.18 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.02 2kzn n THR 81 Cb 0.60 -3.50 0.94 0.00 -1.82 0.00 0.00 70.33 66.55 2kzn n THR 81 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2kzn h SER 82 N -2.03 0.00 -3.57 8.00 4.64 -1.90 -3.31 113.55 115.37 2kzn h SER 82 Ca -0.55 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.15 2kzn h SER 82 Cb 1.36 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.34 2kzn h SER 82 CO 0.58 0.01 0.37 -1.00 -0.87 0.00 0.00 176.83 175.92 2kzn s HIS 83 N -3.94 3.06 0.00 4.77 3.76 -1.26 -4.01 115.29 117.67 2kzn s HIS 83 Ca -0.02 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2kzn s HIS 83 Cb 0.11 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 30.29 2kzn s HIS 83 CO 0.49 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.94 2kzn n GLY 84 N 4.73 0.39 3.43 -2.22 0.00 -1.26 -4.94 105.19 105.32 2kzn n GLY 84 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2kzn n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kzn s MET 85 N -0.70 0.92 -0.17 1.61 -2.45 -1.24 -5.16 119.30 112.10 2kzn s MET 85 Ca 0.00 0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.61 2kzn s MET 85 Cb 0.00 0.43 0.02 0.00 1.25 0.00 0.00 34.83 36.53 2kzn s MET 85 CO 0.00 -0.27 -0.19 0.42 1.05 0.00 0.00 175.02 176.04 2kzn s ILE 86 N -1.13 1.93 -0.26 10.11 -1.09 -1.26 -3.83 121.20 125.66 2kzn s ILE 86 Ca -0.11 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.44 2kzn s ILE 86 Cb -0.02 -1.75 0.13 0.00 -1.58 0.00 0.00 42.46 39.24 2kzn s ILE 86 CO 0.08 0.52 0.33 -0.13 -1.23 0.00 0.00 174.94 174.50 2kzn s ARG 87 N 1.30 0.33 -0.11 2.79 0.52 -1.06 -4.85 118.95 117.87 2kzn s ARG 87 Ca 0.04 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.36 2kzn s ARG 87 Cb -0.13 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 2kzn s ARG 87 CO -0.11 -0.87 0.04 -0.08 0.02 0.00 0.00 175.30 174.30 2kzn s THR 88 N 2.44 4.63 -0.07 0.02 -1.32 -1.14 -0.35 115.64 119.84 2kzn s THR 88 Ca 0.10 -0.12 0.03 0.00 -1.21 0.00 0.00 61.69 60.49 2kzn s THR 88 Cb -0.14 -2.99 -0.02 0.00 -1.51 0.00 0.00 72.50 67.84 2kzn s THR 88 CO -0.24 0.58 -0.15 -1.61 -2.21 0.00 0.00 174.62 170.99 2kzn s GLU 89 N -0.66 2.74 -0.31 7.08 2.02 -0.31 -0.48 118.70 128.78 2kzn s GLU 89 Ca 0.11 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 54.20 2kzn s GLU 89 Cb -0.12 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 2kzn s GLU 89 CO 0.02 0.49 0.57 0.14 0.02 0.00 0.00 175.26 176.50 2kzn s VAL 90 N -0.39 4.99 -0.28 2.63 -7.23 -0.23 -0.10 120.40 119.80 2kzn s VAL 90 Ca 0.04 0.68 -0.25 0.00 -1.81 0.00 0.00 61.98 60.64 2kzn s VAL 90 Cb -0.12 -3.95 0.10 0.00 0.56 0.00 0.00 36.38 32.97 2kzn s VAL 90 CO 0.02 -0.12 0.92 0.00 -0.31 0.00 0.00 175.10 175.61 2kzn s ARG 91 N 2.48 0.63 0.00 4.82 1.70 0.47 -1.87 118.95 127.18 2kzn s ARG 91 Ca 0.22 0.73 0.00 0.00 -0.47 0.00 0.00 55.73 56.22 2kzn s ARG 91 Cb -0.15 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.53 2kzn s ARG 91 CO 0.12 -0.08 0.00 0.45 -1.08 0.00 0.00 175.30 174.71 2kzn n SER 92 N 2.36 0.51 -0.07 -2.89 2.88 -0.58 -4.40 113.62 111.43 2kzn n SER 92 Ca -0.13 -0.76 -0.05 0.00 -1.33 0.00 0.00 58.87 56.60 2kzn n SER 92 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2kzn n SER 92 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2kzn h ARG 93 N 0.00 0.00 0.23 -1.46 2.47 -1.99 -2.51 114.38 111.13 2kzn h ARG 93 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2kzn h ARG 93 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kzn h ARG 93 CO 0.00 0.09 -0.11 1.15 0.56 0.00 0.00 179.97 181.65 2kzn h THR 94 N -1.00 0.00 0.00 2.04 2.02 -2.01 -3.37 112.91 110.58 2kzn h THR 94 Ca -0.03 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2kzn h THR 94 Cb 0.50 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2kzn h THR 94 CO -0.02 0.00 -1.17 0.00 0.37 0.00 0.00 175.52 174.70 2kzn n ALA 95 N -2.33 2.11 0.62 6.16 0.00 -1.26 -4.72 120.51 121.09 2kzn n ALA 95 Ca -0.04 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.37 2kzn n ALA 95 Cb 0.12 -0.09 0.21 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.68 2.35 0.29 0.00 5.68 -1.26 -3.44 116.55 118.49 2kzn n ASP 96 Ca -0.01 -1.98 0.19 0.00 -0.50 0.00 0.00 54.79 52.49 2kzn n ASP 96 Cb 0.15 -0.28 0.89 0.00 -1.14 0.00 0.00 41.12 40.74 2kzn n ASP 96 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2kzn h SER 97 N 2.61 0.00 -0.04 -1.12 4.64 -1.61 -1.53 113.55 116.50 2kzn h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kzn h SER 97 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2kzn h SER 97 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2kzn n HIS 98 N -3.02 0.04 0.01 4.77 8.25 -1.22 -4.50 115.22 119.54 2kzn n HIS 98 Ca -0.01 -0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 2kzn n HIS 98 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 2kzn n HIS 98 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2kzn h LEU 99 N 1.63 -0.14 0.00 2.41 3.38 -1.70 -3.45 115.31 117.44 2kzn h LEU 99 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kzn h LEU 99 Cb 0.35 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kzn h LEU 99 CO 0.00 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2kzn n GLY 100 N -1.04 -0.68 3.70 0.83 0.00 -0.78 -3.77 105.19 103.45 2kzn n GLY 100 Ca -0.01 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.00 2.71 0.00 1.61 3.76 -0.69 -1.06 115.29 118.61 2kzn s HIS 101 Ca 0.00 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2kzn s HIS 101 Cb 0.00 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 2kzn s HIS 101 CO 0.00 0.45 0.04 0.14 -0.85 0.00 0.00 174.74 174.52 2kzn s VAL 102 N -2.39 0.07 0.02 -0.90 -7.23 0.37 -0.66 120.40 109.68 2kzn s VAL 102 Ca 0.35 -0.62 -0.00 0.00 -1.81 0.00 0.00 61.98 59.90 2kzn s VAL 102 Cb -0.04 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 2kzn s VAL 102 CO 0.22 -0.34 -0.02 0.12 -0.31 0.00 0.00 175.10 174.76 2kzn s PHE 103 N -1.06 0.24 -1.03 2.82 5.36 -1.13 -2.90 117.98 120.29 2kzn s PHE 103 Ca -0.12 -0.49 -0.08 0.00 -0.96 0.00 0.00 56.93 55.29 2kzn s PHE 103 Cb -0.07 -0.18 -0.11 0.00 -0.34 0.00 0.00 43.02 42.32 2kzn s PHE 103 CO 0.00 -0.18 3.10 0.09 -1.46 0.00 0.00 175.22 176.76 2kzn n ASN 104 N 1.68 7.48 0.00 6.13 3.02 -1.26 0.88 115.26 133.19 2kzn n ASN 104 Ca -0.23 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 2kzn n ASN 104 Cb 0.55 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kzn n ASP 105 N 2.88 0.10 -4.75 6.41 2.03 -1.25 -4.95 116.55 117.02 2kzn n ASP 105 Ca 0.64 -0.38 -0.33 0.00 0.52 0.00 0.00 54.79 55.25 2kzn n ASP 105 Cb 0.46 0.78 -0.08 0.00 -0.72 0.00 0.00 41.12 41.57 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 -0.80 2.98 0.18 0.27 0.00 -1.23 -4.95 107.32 103.77 2kzn s GLY 106 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 2kzn s GLY 106 CO 0.00 -2.19 1.14 -4.14 0.00 0.00 0.00 173.10 167.91 2kzn s PRO 107 N -3.86 4.55 -0.27 2.90 0.02 -1.21 -3.22 135.00 133.91 2kzn s PRO 107 Ca 0.08 1.78 -0.38 0.00 0.02 0.00 0.00 61.00 62.51 2kzn s PRO 107 Cb 0.02 -3.26 0.16 0.00 0.02 0.00 0.00 34.50 31.44 2kzn s PRO 107 CO 0.04 -0.00 1.41 0.20 -0.33 0.00 0.00 177.00 178.32 2kzn s GLY 108 N 0.02 -0.24 0.41 0.52 0.00 -1.19 -4.06 107.32 102.77 2kzn s GLY 108 Ca 0.51 1.78 0.22 0.00 0.00 0.00 0.00 44.72 47.23 2kzn s GLY 108 CO 0.36 0.57 1.76 -0.56 0.00 0.00 0.00 173.10 175.23 2kzn h PRO 109 N 2.00 0.00 -0.01 2.90 0.13 -1.66 -2.43 132.00 132.93 2kzn h PRO 109 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2kzn h PRO 109 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kzn h PRO 109 CO 0.20 0.29 -0.37 -1.71 -0.23 0.00 0.00 178.00 176.18 2kzn n ASN 110 N -3.41 1.81 -0.26 1.44 5.15 -1.26 -4.96 115.26 113.77 2kzn n ASN 110 Ca 0.00 -1.41 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 2kzn n ASN 110 Cb 0.48 0.45 0.00 0.00 -0.53 0.00 0.00 39.78 40.18 2kzn n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kzn n GLY 111 N 1.24 0.95 3.95 8.20 0.00 -0.91 -5.04 105.19 113.57 2kzn n GLY 111 Ca 0.08 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.53 4.31 -0.40 0.99 1.43 -1.20 -3.80 118.68 119.48 2kzn s LEU 112 Ca 0.00 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 2kzn s LEU 112 Cb 0.00 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.37 2kzn s LEU 112 CO 0.00 0.01 0.20 -0.60 0.23 0.00 0.00 176.35 176.19 2kzn s ARG 113 N -3.40 2.27 -0.88 1.70 3.52 0.25 -3.18 118.95 119.25 2kzn s ARG 113 Ca 0.35 -1.64 -0.25 0.00 -0.13 0.00 0.00 55.73 54.07 2kzn s ARG 113 Cb -0.11 -3.61 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 2kzn s ARG 113 CO 0.29 -0.99 1.50 0.71 -0.81 0.00 0.00 175.30 176.00 2kzn s TYR 114 N 1.26 2.27 -0.91 5.12 1.51 -1.26 -2.83 117.35 122.51 2kzn s TYR 114 Ca 0.05 -0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 2kzn s TYR 114 Cb -0.23 -4.53 0.12 0.00 -0.11 0.00 0.00 41.96 37.21 2kzn s TYR 114 CO -0.02 -1.99 1.13 0.00 -1.11 0.00 0.00 175.55 173.56 2kzn s ILE 116 N 3.01 3.39 -0.15 0.00 -1.09 -1.26 -1.71 121.20 123.40 2kzn s ILE 116 Ca 0.32 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 57.97 2kzn s ILE 116 Cb -0.06 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.27 2kzn s ILE 116 CO -0.07 0.42 1.13 0.20 -1.23 0.00 0.00 174.94 175.39 2kzn s ASN 117 N 1.45 7.08 0.41 3.58 0.02 -1.25 -4.18 114.94 122.05 2kzn s ASN 117 Ca 0.05 1.59 0.14 0.00 -1.02 0.00 0.00 52.86 53.62 2kzn s ASN 117 Cb -0.14 -2.55 0.99 0.00 0.02 0.00 0.00 41.25 39.57 2kzn s ASN 117 CO -0.03 -0.63 1.92 0.77 0.02 0.00 0.00 177.10 179.15 2kzn h SER 118 N 7.57 0.46 -0.54 -1.22 4.64 -1.96 -1.19 113.55 121.30 2kzn h SER 118 Ca -0.27 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2kzn h SER 118 Cb 1.11 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2kzn h SER 118 CO 0.93 0.24 0.36 0.00 -0.87 0.00 0.00 176.83 177.49 2kzn h ALA 119 N 1.64 1.88 -0.00 5.18 0.00 -1.93 -1.86 119.26 124.17 2kzn h ALA 119 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kzn h ALA 119 Cb 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kzn h ALA 119 CO -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 2kzn n ALA 120 N -2.50 2.65 -2.55 0.00 0.00 -0.45 -4.77 120.51 112.89 2kzn n ALA 120 Ca 0.08 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 2kzn n ALA 120 Cb 0.25 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.13 3.15 -0.23 0.00 1.43 -0.70 -1.18 118.68 119.02 2kzn s LEU 121 Ca 0.43 -0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2kzn s LEU 121 Cb 0.22 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.96 2kzn s LEU 121 CO 0.39 -0.21 0.42 -0.60 0.23 0.00 0.00 176.35 176.59 2kzn s ARG 122 N -3.76 0.37 0.26 1.70 3.52 0.45 -4.67 118.95 116.81 2kzn s ARG 122 Ca 0.35 0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 56.46 2kzn s ARG 122 Cb -0.03 -0.03 -0.09 0.00 -1.56 0.00 0.00 34.95 33.24 2kzn s ARG 122 CO 0.21 -0.48 1.25 -0.59 -0.81 0.00 0.00 175.30 174.88 2kzn s PHE 123 N 2.62 3.28 -0.26 5.12 -0.71 -1.26 -0.89 117.98 125.86 2kzn s PHE 123 Ca 0.08 1.42 -0.01 0.00 -1.04 0.00 0.00 56.93 57.38 2kzn s PHE 123 Cb -0.14 -3.54 0.08 0.00 -1.21 0.00 0.00 43.02 38.21 2kzn s PHE 123 CO -0.15 -1.50 0.05 0.08 -1.34 0.00 0.00 175.22 172.36 2kzn s VAL 124 N -0.64 0.91 0.76 -2.49 1.01 -0.58 -4.96 120.40 114.41 2kzn s VAL 124 Ca 0.51 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2kzn s VAL 124 Cb -0.36 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.55 2kzn s VAL 124 CO 0.44 -0.43 1.20 -2.16 0.00 0.00 0.00 175.10 174.15 2kzn s PRO 125 N 1.64 1.95 0.64 2.72 0.04 -1.26 -1.92 135.00 138.81 2kzn s PRO 125 Ca 0.04 1.74 0.43 0.00 0.04 0.00 0.00 61.00 63.24 2kzn s PRO 125 Cb -0.18 -1.81 2.24 0.00 0.04 0.00 0.00 34.50 34.79 2kzn s PRO 125 CO -0.16 -1.97 2.30 1.57 0.04 0.00 0.00 177.00 178.78 2kzn h LYS 126 N -0.55 0.00 0.00 4.56 -0.00 -1.35 0.87 116.57 120.10 2kzn h LYS 126 Ca -0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.01 2kzn h LYS 126 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.50 2kzn h LYS 126 CO 0.48 0.00 -0.80 1.25 -0.00 0.00 0.00 179.45 180.38 2kzn h HIS 127 N 0.00 0.00 0.00 0.07 2.76 -1.91 -3.04 115.15 113.03 2kzn h HIS 127 Ca 0.00 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 2kzn h HIS 127 Cb 0.09 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2kzn h HIS 127 CO 0.00 0.80 -1.03 0.87 -1.30 0.00 0.00 177.93 177.27 2kzn h LYS 128 N 0.00 0.00 -0.21 5.26 1.79 -1.28 -3.35 116.57 118.79 2kzn h LYS 128 Ca -0.01 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 2kzn h LYS 128 Cb 1.52 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.16 2kzn h LYS 128 CO 0.10 0.29 -0.38 -0.07 -1.08 0.00 0.00 179.45 178.31 2kzn h LEU 129 N 0.00 0.49 -0.71 2.94 3.38 -0.99 -0.97 115.31 119.45 2kzn h LEU 129 Ca -0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kzn h LEU 129 Cb 1.41 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2kzn h LEU 129 CO 0.04 0.83 0.44 0.50 0.09 0.00 0.00 178.44 180.34 2kzn h LYS 130 N 0.39 0.96 -0.13 1.13 3.64 -1.66 0.24 116.57 121.15 2kzn h LYS 130 Ca 0.04 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2kzn h LYS 130 Cb 0.85 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2kzn h LYS 130 CO 0.07 0.67 -0.36 1.49 -2.27 0.00 0.00 179.45 179.05 2kzn h GLU 131 N 0.97 0.27 0.00 1.90 4.81 -1.65 -2.59 114.58 118.30 2kzn h GLU 131 Ca 0.26 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2kzn h GLU 131 Cb -0.05 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2kzn h GLU 131 CO -0.05 0.60 0.00 -1.91 -0.73 0.00 0.00 179.01 176.92 2kzn n GLU 132 N -4.06 0.06 0.00 1.92 0.00 -0.39 -4.86 120.64 113.31 2kzn n GLU 132 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.29 2kzn n GLU 132 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.39 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kzn n GLY 133 N 0.56 0.83 4.26 8.31 0.00 -0.93 -4.85 105.19 113.38 2kzn n GLY 133 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.80 0.00 0.28 1.61 0.18 0.78 -4.72 117.16 114.49 2kzn n TYR 134 Ca 0.00 0.00 0.16 0.00 1.88 0.00 0.00 57.90 59.94 2kzn n TYR 134 Cb 0.00 -0.96 0.73 0.00 -0.38 0.00 0.00 39.34 38.72 2kzn n TYR 134 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2kzn h GLU 135 N 0.00 0.00 -0.04 -3.48 4.81 -1.88 -0.59 114.58 113.39 2kzn h GLU 135 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2kzn h GLU 135 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kzn h GLU 135 CO 0.00 0.05 -0.16 0.66 -0.73 0.00 0.00 179.01 178.84 2kzn h SER 136 N 0.00 0.20 0.00 1.04 4.64 -1.91 -3.01 113.55 114.52 2kzn h SER 136 Ca -0.00 -0.64 -0.19 0.00 -0.47 0.00 0.00 61.79 60.49 2kzn h SER 136 Cb 0.46 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 2kzn h SER 136 CO 0.01 0.81 -1.55 0.00 -0.87 0.00 0.00 176.83 175.23 2kzn n TYR 137 N -4.60 0.00 0.19 4.77 9.36 -1.24 -4.47 117.16 121.15 2kzn n TYR 137 Ca -0.08 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.19 2kzn n TYR 137 Cb 0.41 -0.44 0.32 0.00 -0.63 0.00 0.00 39.34 39.00 2kzn n TYR 137 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2kzn h LEU 138 N -0.47 0.00 0.00 2.98 4.07 -1.37 0.14 115.31 120.66 2kzn h LEU 138 Ca -0.29 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.51 2kzn h LEU 138 Cb 1.17 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 2kzn h LEU 138 CO -0.17 0.37 -0.99 -0.74 -1.08 0.00 0.00 178.44 175.84 2kzn h HIS 139 N 0.00 0.00 0.00 1.13 2.76 -1.43 -3.31 115.15 114.30 2kzn h HIS 139 Ca -0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kzn h HIS 139 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2kzn h HIS 139 CO 0.00 1.11 -0.00 -0.07 -1.30 0.00 0.00 177.93 177.67 2kzn h LEU 140 N -1.00 -0.00 -0.02 0.26 3.38 -1.37 -2.59 115.31 113.97 2kzn h LEU 140 Ca -0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kzn h LEU 140 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2kzn h LEU 140 CO -0.15 0.01 -0.02 0.33 0.09 0.00 0.00 178.44 178.71 2kzn n PHE 141 N -5.08 0.00 -1.99 1.13 7.35 0.47 -4.61 117.46 114.73 2kzn n PHE 141 Ca -0.07 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.37 2kzn n PHE 141 Cb 0.04 -0.29 -0.06 0.00 0.35 0.00 0.00 39.48 39.52 2kzn n PHE 141 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2kzn s ASN 142 N -2.60 4.95 -0.43 -2.13 2.47 -0.98 -4.92 114.94 111.30 2kzn s ASN 142 Ca 0.27 -0.71 -0.29 0.00 0.42 0.00 0.00 52.86 52.56 2kzn s ASN 142 Cb 0.20 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.46 2kzn s ASN 142 CO 0.47 -2.95 1.11 -0.75 -3.72 0.00 0.00 177.10 171.25 2kzn s LYS 143 N 7.19 3.82 0.71 0.43 2.20 -1.26 -4.99 119.74 127.83 2kzn s LYS 143 Ca 0.73 0.70 -0.15 0.00 -0.36 0.00 0.00 55.97 56.89 2kzn s LYS 143 Cb -0.07 -3.86 0.03 0.00 -1.51 0.00 0.00 37.83 32.42 2kzn s LYS 143 CO 0.02 -1.23 1.15 -0.51 -0.36 0.00 0.00 175.35 174.43 2kzn s LEU 144 N 4.17 3.32 -1.21 5.43 2.01 -1.26 -4.92 118.68 126.21 2kzn s LEU 144 Ca 0.46 2.16 -0.20 0.00 0.01 0.00 0.00 54.13 56.56 2kzn s LEU 144 Cb -0.09 -4.57 -0.03 0.00 0.01 0.00 0.00 46.19 41.52 2kzn s LEU 144 CO 0.26 -1.99 1.88 -0.62 1.01 0.00 0.00 176.35 176.89 2kzn n GLU 145 N -2.67 2.25 -2.94 1.70 -0.58 -1.26 -4.96 120.64 112.18 2kzn n GLU 145 Ca 0.12 -2.73 -0.41 0.00 -0.42 0.00 0.00 57.16 53.72 2kzn n GLU 145 Cb 0.51 -3.57 -0.04 0.00 -0.57 0.00 0.00 31.44 27.77 2kzn n GLU 145 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kzn s HIS 146 N 7.73 3.46 -2.00 -0.32 5.65 -1.26 -5.37 115.29 123.18 2kzn s HIS 146 Ca 0.61 1.24 0.14 0.00 0.25 0.00 0.00 55.06 57.30 2kzn s HIS 146 Cb 0.03 -2.96 0.82 0.00 -1.18 0.00 0.00 32.58 29.29 2kzn s HIS 146 CO 0.10 -0.16 1.24 1.58 -0.65 0.00 0.00 174.74 176.85