#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 3.02 -0.08 3.04 0.00 -1.26 -5.02 121.76 121.45 2kzn s ALA 2 Ca 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 2kzn s ALA 2 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 2kzn s ALA 2 CO 0.00 -2.96 0.39 0.71 0.00 0.00 0.00 175.76 173.89 2kzn s TYR 3 N 4.46 3.59 0.82 0.00 1.51 -1.26 -5.10 117.35 121.37 2kzn s TYR 3 Ca 0.27 0.85 -0.11 0.00 -1.01 0.00 0.00 57.07 57.06 2kzn s TYR 3 Cb -0.13 -2.36 0.10 0.00 -0.11 0.00 0.00 41.96 39.46 2kzn s TYR 3 CO 0.09 0.41 1.17 0.54 -1.11 0.00 0.00 175.55 176.66 2kzn s ASN 4 N -0.20 4.25 0.14 2.29 2.20 -1.26 -4.81 114.94 117.55 2kzn s ASN 4 Ca 0.22 0.57 -0.21 0.00 -0.94 0.00 0.00 52.86 52.50 2kzn s ASN 4 Cb -0.15 -0.99 -0.00 0.00 -2.00 0.00 0.00 41.25 38.11 2kzn s ASN 4 CO 0.10 -2.03 1.67 0.11 -2.94 0.00 0.00 177.10 174.00 2kzn h LYS 5 N -1.08 -0.15 -0.31 3.55 6.56 -1.99 0.71 116.57 123.85 2kzn h LYS 5 Ca -0.45 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.14 2kzn h LYS 5 Cb 1.30 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.99 2kzn h LYS 5 CO 0.58 -0.10 0.15 1.49 -2.06 0.00 0.00 179.45 179.50 2kzn h GLU 6 N -0.16 0.44 -0.57 3.15 4.81 -1.99 -2.19 114.58 118.06 2kzn h GLU 6 Ca 0.11 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2kzn h GLU 6 Cb 0.32 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2kzn h GLU 6 CO -0.28 0.42 0.38 1.49 -0.73 0.00 0.00 179.01 180.29 2kzn h GLU 7 N 0.36 0.70 0.70 1.92 4.57 -1.82 -1.24 114.58 119.76 2kzn h GLU 7 Ca 0.11 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2kzn h GLU 7 Cb 0.12 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2kzn h GLU 7 CO -0.01 0.46 -0.34 0.87 -1.18 0.00 0.00 179.01 178.81 2kzn h LYS 8 N 0.72 -0.90 -0.87 1.92 1.57 -0.63 -3.25 116.57 115.13 2kzn h LYS 8 Ca 0.22 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.18 2kzn h LYS 8 Cb -0.01 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 2kzn h LYS 8 CO -0.05 -0.57 0.56 0.82 -0.57 0.00 0.00 179.45 179.64 2kzn h ILE 9 N -1.14 0.88 0.40 1.86 1.08 -1.11 0.09 117.51 119.58 2kzn h ILE 9 Ca -0.10 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 2kzn h ILE 9 Cb 0.75 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2kzn h ILE 9 CO 0.16 0.13 -0.41 0.50 -0.69 0.00 0.00 178.15 177.84 2kzn h LYS 10 N 0.74 -0.80 0.06 2.37 1.63 -1.28 -1.06 116.57 118.23 2kzn h LYS 10 Ca 0.42 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.28 2kzn h LYS 10 Cb 0.60 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2kzn h LYS 10 CO -0.19 -0.53 -0.03 0.66 -3.45 0.00 0.00 179.45 175.91 2kzn h SER 11 N -0.83 -0.07 -0.65 4.20 4.64 -1.48 -3.35 113.55 116.00 2kzn h SER 11 Ca -0.03 -0.56 0.11 0.00 -0.47 0.00 0.00 61.79 60.84 2kzn h SER 11 Cb 0.75 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.77 2kzn h SER 11 CO -0.07 0.58 0.24 0.25 -0.87 0.00 0.00 176.83 176.96 2kzn h LEU 12 N -0.80 0.22 -1.21 5.97 5.85 -1.04 -2.20 115.31 122.10 2kzn h LEU 12 Ca -0.01 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2kzn h LEU 12 Cb 0.62 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2kzn h LEU 12 CO 0.01 0.11 -0.22 0.78 -0.34 0.00 0.00 178.44 178.79 2kzn h ASN 13 N 0.41 0.26 0.96 1.25 -0.26 -1.35 -1.27 115.58 115.58 2kzn h ASN 13 Ca 0.34 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2kzn h ASN 13 Cb 0.46 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2kzn h ASN 13 CO -0.35 0.50 0.00 0.03 -1.06 0.00 0.00 177.43 176.55 2kzn h ARG 14 N 0.25 0.00 0.00 0.81 2.47 -1.53 -0.30 114.38 116.08 2kzn h ARG 14 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2kzn h ARG 14 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2kzn h ARG 14 CO 0.04 0.00 -0.12 0.52 0.56 0.00 0.00 179.97 180.97 2kzn h MET 15 N 0.00 0.00 -0.17 0.04 2.86 -1.21 -3.36 114.93 113.09 2kzn h MET 15 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2kzn h MET 15 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2kzn h MET 15 CO 0.00 0.00 -0.06 1.96 1.06 0.00 0.00 176.91 179.87 2kzn h GLN 16 N -0.61 0.34 -0.47 1.72 4.20 -1.24 -1.09 115.11 117.97 2kzn h GLN 16 Ca 0.00 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.60 2kzn h GLN 16 Cb 0.12 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2kzn h GLN 16 CO 0.00 0.63 0.31 -0.92 -0.67 0.00 0.00 178.83 178.19 2kzn h TYR 17 N 0.04 0.51 -0.31 2.96 3.20 -1.28 0.34 116.97 122.42 2kzn h TYR 17 Ca 0.04 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.76 2kzn h TYR 17 Cb 0.52 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 2kzn h TYR 17 CO 0.06 0.30 -0.46 1.49 -1.64 0.00 0.00 178.16 177.91 2kzn h GLU 18 N 0.53 0.87 0.19 1.82 4.81 -1.63 -3.25 114.58 117.92 2kzn h GLU 18 Ca 0.19 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2kzn h GLU 18 Cb 0.10 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2kzn h GLU 18 CO -0.05 1.15 -0.09 0.28 -0.73 0.00 0.00 179.01 179.57 2kzn h VAL 19 N 0.65 0.00 0.00 0.32 2.07 -0.13 -3.24 116.25 115.92 2kzn h VAL 19 Ca 0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2kzn h VAL 19 Cb 1.06 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2kzn h VAL 19 CO 0.11 0.00 -0.02 0.74 0.02 0.00 0.00 177.57 178.42 2kzn h THR 20 N -0.52 0.73 0.00 2.57 2.02 -1.18 0.20 112.91 116.73 2kzn h THR 20 Ca -0.03 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2kzn h THR 20 Cb 0.20 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2kzn h THR 20 CO 0.04 0.02 -0.35 -0.61 0.37 0.00 0.00 175.52 175.00 2kzn h GLN 21 N 0.00 0.00 0.00 6.66 4.15 -1.65 -3.06 115.11 121.21 2kzn h GLN 21 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2kzn h GLN 21 Cb 0.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2kzn h GLN 21 CO 0.00 0.35 -1.76 -1.71 -1.93 0.00 0.00 178.83 173.77 2kzn n ASN 22 N -3.80 1.33 -1.47 -0.69 4.05 -0.61 -4.97 115.26 109.10 2kzn n ASN 22 Ca -0.01 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.88 2kzn n ASN 22 Cb 0.43 1.64 -0.02 0.00 1.23 0.00 0.00 39.78 43.06 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2kzn n ASN 23 N -2.11 -4.43 -3.70 1.20 3.02 0.52 -5.04 115.26 104.72 2kzn n ASN 23 Ca -0.05 0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.37 2kzn n ASN 23 Cb 0.48 -3.48 0.14 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.08 -0.68 3.17 7.41 0.00 -0.23 -4.97 105.19 108.81 2kzn n GLY 24 Ca -0.16 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.99 0.04 0.28 2.61 -1.32 -1.26 -4.70 115.64 108.29 2kzn s THR 25 Ca 0.57 -0.33 -0.21 0.00 -1.21 0.00 0.00 61.69 60.52 2kzn s THR 25 Cb -0.02 -0.47 -0.09 0.00 -1.51 0.00 0.00 72.50 70.41 2kzn s THR 25 CO 0.40 -0.18 0.80 -1.61 -2.21 0.00 0.00 174.62 171.81 2kzn s GLU 26 N -0.73 4.31 0.06 7.08 2.02 -1.26 -5.03 118.70 125.15 2kzn s GLU 26 Ca -0.08 0.98 -0.34 0.00 0.02 0.00 0.00 54.97 55.55 2kzn s GLU 26 Cb -0.04 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.31 2kzn s GLU 26 CO 0.02 0.30 1.72 -2.30 0.02 0.00 0.00 175.26 175.02 2kzn n PRO 27 N 0.44 2.21 -0.84 0.39 -0.02 -1.26 -4.93 135.00 130.99 2kzn n PRO 27 Ca 0.00 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 2kzn n PRO 27 Cb 0.51 -2.61 0.24 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.29 -1.35 0.39 0.52 0.04 -1.26 -4.89 135.00 130.74 2kzn s PRO 28 Ca 0.84 0.21 0.28 0.00 0.04 0.00 0.00 61.00 62.38 2kzn s PRO 28 Cb -0.67 -1.56 1.34 0.00 0.04 0.00 0.00 34.50 33.65 2kzn s PRO 28 CO 0.43 -3.85 1.85 0.35 0.04 0.00 0.00 177.00 175.82 2kzn h PHE 29 N -2.69 0.00 0.00 0.56 3.57 -2.00 -3.46 116.94 112.93 2kzn h PHE 29 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2kzn h PHE 29 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2kzn h PHE 29 CO -1.61 0.00 0.00 0.94 -2.23 0.00 0.00 178.31 175.41 2kzn n GLN 30 N -2.52 0.00 -4.01 1.11 7.27 -1.26 -4.95 117.38 113.02 2kzn n GLN 30 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 2kzn n GLN 30 Cb 0.15 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.78 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 0.10 6.11 0.60 1.69 3.84 -1.26 -5.00 114.94 121.02 2kzn s ASN 31 Ca 0.00 -0.01 0.28 0.00 0.21 0.00 0.00 52.86 53.35 2kzn s ASN 31 Cb 0.00 -1.74 1.40 0.00 -0.55 0.00 0.00 41.25 40.36 2kzn s ASN 31 CO 0.00 -0.05 1.81 1.05 -2.79 0.00 0.00 177.10 177.12 2kzn h GLU 32 N 1.32 0.00 0.00 0.43 4.11 -1.99 -2.96 114.58 115.50 2kzn h GLU 32 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2kzn h GLU 32 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kzn h GLU 32 CO 0.61 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.35 2kzn n TYR 33 N -3.57 0.09 -0.11 2.06 4.01 -1.26 -0.27 117.16 118.11 2kzn n TYR 33 Ca 0.10 0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.73 2kzn n TYR 33 Cb 0.77 -0.57 -0.11 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.59 0.00 1.08 -0.72 4.27 -1.12 -4.62 117.44 114.75 2kzn n TRP 34 Ca 0.00 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.73 2kzn n TRP 34 Cb 0.04 -0.87 0.13 0.00 -1.36 0.00 0.00 31.31 29.24 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 -3.12 2.27 -4.60 -0.67 5.75 -0.98 -4.96 116.55 110.25 2kzn n ASP 35 Ca -0.39 -1.65 -0.51 0.00 -0.01 0.00 0.00 54.79 52.23 2kzn n ASP 35 Cb 0.94 0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 41.18 2kzn n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kzn n HIS 36 N 0.50 1.60 -1.25 2.11 1.44 0.63 -4.89 115.22 115.37 2kzn n HIS 36 Ca 0.12 0.59 -0.13 0.00 -2.01 0.00 0.00 57.72 56.29 2kzn n HIS 36 Cb 0.50 -2.36 0.21 0.00 0.12 0.00 0.00 29.99 28.47 2kzn n HIS 36 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2kzn n LYS 37 N 2.54 2.45 -1.88 -1.40 4.81 -1.26 -4.96 118.16 118.45 2kzn n LYS 37 Ca 0.18 -3.07 -0.43 0.00 -0.87 0.00 0.00 58.31 54.12 2kzn n LYS 37 Cb 0.21 -2.07 -0.03 0.00 0.02 0.00 0.00 35.03 33.17 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2kzn s GLU 38 N -3.21 3.67 0.70 1.64 8.01 -1.26 -4.96 118.70 123.30 2kzn s GLU 38 Ca 0.52 1.94 -0.12 0.00 0.01 0.00 0.00 54.97 57.33 2kzn s GLU 38 Cb 0.44 -4.16 0.02 0.00 -4.31 0.00 0.00 34.13 26.13 2kzn s GLU 38 CO 0.08 -1.46 1.08 -1.21 0.01 0.00 0.00 175.26 173.76 2kzn s GLU 39 N 5.11 2.69 0.00 1.61 8.01 -1.26 -4.37 118.70 130.50 2kzn s GLU 39 Ca 0.83 1.16 0.00 0.00 0.01 0.00 0.00 54.97 56.97 2kzn s GLU 39 Cb -0.31 -1.95 0.00 0.00 -4.31 0.00 0.00 34.13 27.56 2kzn s GLU 39 CO 0.34 -1.31 0.00 0.41 0.01 0.00 0.00 175.26 174.71 2kzn n GLY 40 N -1.24 -0.86 3.30 -1.39 0.00 -1.26 -2.82 105.19 100.91 2kzn n GLY 40 Ca 0.09 0.32 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 1.64 0.00 0.99 1.43 -0.20 -2.58 118.68 119.97 2kzn s LEU 41 Ca 0.00 -1.64 0.02 0.00 -1.03 0.00 0.00 54.13 51.47 2kzn s LEU 41 Cb 0.00 0.39 -0.01 0.00 0.03 0.00 0.00 46.19 46.60 2kzn s LEU 41 CO 0.00 -0.97 -0.05 -0.72 0.23 0.00 0.00 176.35 174.83 2kzn s TYR 42 N -3.59 0.47 0.17 0.29 1.13 -1.16 -1.11 117.35 113.55 2kzn s TYR 42 Ca 0.38 -0.14 0.02 0.00 -1.41 0.00 0.00 57.07 55.92 2kzn s TYR 42 Cb 0.04 -0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.55 2kzn s TYR 42 CO 0.21 -0.02 0.01 0.14 -2.51 0.00 0.00 175.55 173.38 2kzn s VAL 43 N -0.28 0.63 -0.42 -3.49 -7.23 -0.14 -2.15 120.40 107.32 2kzn s VAL 43 Ca 0.00 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 57.94 2kzn s VAL 43 Cb -0.03 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.81 2kzn s VAL 43 CO -0.00 -0.47 0.92 1.51 -0.31 0.00 0.00 175.10 176.75 2kzn s ASP 44 N -3.17 6.56 0.43 4.85 -4.77 -1.19 -1.15 116.67 118.23 2kzn s ASP 44 Ca 0.24 0.29 0.23 0.00 -3.30 0.00 0.00 52.55 50.02 2kzn s ASP 44 Cb 0.06 -2.45 1.23 0.00 -1.09 0.00 0.00 42.92 40.67 2kzn s ASP 44 CO 0.04 -0.97 1.76 0.40 0.70 0.00 0.00 175.17 177.09 2kzn h ILE 45 N 5.98 0.44 -0.10 2.11 2.04 -1.82 0.18 117.51 126.35 2kzn h ILE 45 Ca -0.24 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2kzn h ILE 45 Cb 1.08 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2kzn h ILE 45 CO 1.01 0.05 -0.04 -0.37 0.00 0.00 0.00 178.15 178.80 2kzn h VAL 46 N 0.28 0.86 0.00 1.67 -1.51 -1.92 -3.26 116.25 112.37 2kzn h VAL 46 Ca 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.09 2kzn h VAL 46 Cb 1.80 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 2kzn h VAL 46 CO -0.26 0.00 -1.77 -0.24 -1.23 0.00 0.00 177.57 174.07 2kzn n SER 47 N -5.16 0.24 -1.40 4.19 2.88 -0.75 -4.99 113.62 108.63 2kzn n SER 47 Ca -0.05 -0.23 -0.15 0.00 -1.33 0.00 0.00 58.87 57.12 2kzn n SER 47 Cb 0.09 1.77 -0.03 0.00 -0.75 0.00 0.00 64.21 65.29 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 1.32 0.61 3.61 0.46 0.00 0.57 -5.01 105.19 106.75 2kzn n GLY 48 Ca -0.02 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.00 3.21 0.08 1.61 -0.14 -1.25 -4.90 119.74 114.36 2kzn s LYS 49 Ca 0.00 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 2kzn s LYS 49 Cb 0.00 -2.82 -0.09 0.00 -1.68 0.00 0.00 37.83 33.23 2kzn s LYS 49 CO 0.00 0.54 1.88 -1.25 -0.76 0.00 0.00 175.35 175.76 2kzn s PRO 50 N -0.43 4.14 -0.17 -1.68 0.04 -1.26 -3.17 135.00 132.47 2kzn s PRO 50 Ca 0.07 2.58 0.14 0.00 0.04 0.00 0.00 61.00 63.84 2kzn s PRO 50 Cb -0.12 -3.87 -0.24 0.00 0.04 0.00 0.00 34.50 30.31 2kzn s PRO 50 CO 0.02 -0.89 0.17 1.28 0.04 0.00 0.00 177.00 177.62 2kzn n LEU 51 N 6.58 0.65 -3.59 -3.56 4.77 -0.91 -4.74 117.00 116.20 2kzn n LEU 51 Ca 0.19 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 2kzn n LEU 51 Cb 0.40 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2kzn n LEU 51 CO 0.66 0.54 0.97 0.12 -1.33 0.00 0.00 177.39 178.36 2kzn s PHE 52 N -2.52 -0.14 0.37 -1.77 5.36 -1.24 -0.21 117.98 117.83 2kzn s PHE 52 Ca -0.12 0.07 -0.24 0.00 -0.96 0.00 0.00 56.93 55.68 2kzn s PHE 52 Cb 0.07 0.53 -0.10 0.00 -0.34 0.00 0.00 43.02 43.17 2kzn s PHE 52 CO 0.80 -0.27 0.96 -0.08 -1.46 0.00 0.00 175.22 175.17 2kzn s THR 53 N -2.53 4.19 0.14 0.12 -1.32 -1.26 -3.00 115.64 111.97 2kzn s THR 53 Ca 0.10 1.62 0.27 0.00 -1.21 0.00 0.00 61.69 62.46 2kzn s THR 53 Cb -0.00 -3.81 0.28 0.00 -1.51 0.00 0.00 72.50 67.45 2kzn s THR 53 CO -0.05 -0.04 1.88 -1.28 -2.21 0.00 0.00 174.62 172.92 2kzn h SER 54 N 2.61 0.00 0.57 8.08 0.87 -1.79 -2.72 113.55 121.17 2kzn h SER 54 Ca -0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 2kzn h SER 54 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kzn h SER 54 CO 0.63 0.16 -0.15 0.07 -0.53 0.00 0.00 176.83 177.01 2kzn h LYS 55 N 0.00 0.00 0.00 2.24 2.10 -1.84 -2.80 116.57 116.26 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 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2kzn h LYS 55 CO 0.02 0.15 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.36 2kzn n ASP 56 N -3.51 2.01 -4.75 7.07 8.00 -1.21 -5.05 116.55 119.11 2kzn n ASP 56 Ca -0.01 -2.34 -0.40 0.00 0.71 0.00 0.00 54.79 52.75 2kzn n ASP 56 Cb 0.30 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.60 4.46 -0.13 -1.24 2.36 -1.03 -4.67 119.74 117.88 2kzn s LYS 57 Ca 0.11 0.99 -0.05 0.00 -2.55 0.00 0.00 55.97 54.48 2kzn s LYS 57 Cb 0.10 -3.35 -0.04 0.00 -1.05 0.00 0.00 37.83 33.49 2kzn s LYS 57 CO 0.01 0.31 0.04 0.12 1.55 0.00 0.00 175.35 177.39 2kzn s PHE 58 N -0.13 3.25 -0.07 4.03 5.36 -1.24 -4.98 117.98 124.21 2kzn s PHE 58 Ca 0.37 0.15 -0.18 0.00 -0.96 0.00 0.00 56.93 56.31 2kzn s PHE 58 Cb -0.20 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 2kzn s PHE 58 CO 0.22 0.34 0.48 -0.51 -1.46 0.00 0.00 175.22 174.29 2kzn s ASP 59 N -0.32 6.76 -0.24 6.13 1.11 -1.26 -3.85 116.67 125.00 2kzn s ASP 59 Ca 0.08 0.91 -0.00 0.00 0.18 0.00 0.00 52.55 53.71 2kzn s ASP 59 Cb -0.12 -2.29 0.07 0.00 1.07 0.00 0.00 42.92 41.65 2kzn s ASP 59 CO 0.02 0.11 -0.00 -0.55 1.18 0.00 0.00 175.17 175.92 2kzn s SER 60 N 0.03 3.64 0.00 0.27 0.15 -1.26 -4.87 113.70 111.67 2kzn s SER 60 Ca 0.26 -1.19 0.27 0.00 0.70 0.00 0.00 55.95 56.00 2kzn s SER 60 Cb -0.16 -0.98 0.90 0.00 -1.71 0.00 0.00 66.02 64.07 2kzn s SER 60 CO 0.12 -0.29 1.66 0.00 1.20 0.00 0.00 173.24 175.93 2kzn n GLN 61 N 4.79 1.63 0.03 5.44 3.00 -1.26 -3.85 117.38 127.16 2kzn n GLN 61 Ca -0.09 -1.02 0.12 0.00 -0.01 0.00 0.00 57.00 56.00 2kzn n GLN 61 Cb 0.45 -1.48 0.20 0.00 0.00 0.00 0.00 30.24 29.40 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kzn n GLY 63 N 1.41 -0.20 3.71 0.00 0.00 -1.25 -5.14 105.19 103.71 2kzn n GLY 63 Ca 0.04 0.50 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 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 3.42 -0.30 1.61 0.51 -1.26 -4.85 118.94 118.08 2kzn s TRP 64 Ca 0.00 0.54 -0.40 0.00 -2.12 0.00 0.00 56.10 54.13 2kzn s TRP 64 Cb 0.00 -2.36 -0.15 0.00 -0.81 0.00 0.00 33.47 30.15 2kzn s TRP 64 CO 0.00 0.18 1.83 -2.30 -0.51 0.00 0.00 176.95 176.14 2kzn n PRO 65 N 3.82 1.13 -3.41 4.98 -0.02 -1.17 -4.67 135.00 135.65 2kzn n PRO 65 Ca -0.12 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 2kzn n PRO 65 Cb 0.52 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 2kzn n PRO 65 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kzn s SER 66 N 4.19 6.68 0.04 2.55 0.01 -1.25 -2.63 113.70 123.28 2kzn s SER 66 Ca 1.01 0.95 -0.00 0.00 1.31 0.00 0.00 55.95 59.22 2kzn s SER 66 Cb -1.05 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 62.91 2kzn s SER 66 CO 0.63 -0.01 -0.03 -0.36 0.41 0.00 0.00 173.24 173.88 2kzn s PHE 67 N -1.70 0.42 0.08 2.43 0.08 -0.38 -3.60 117.98 115.31 2kzn s PHE 67 Ca 0.44 -0.77 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 2kzn s PHE 67 Cb -0.12 -0.30 -0.11 0.00 -0.57 0.00 0.00 43.02 41.92 2kzn s PHE 67 CO 0.20 -0.26 1.39 1.15 -0.10 0.00 0.00 175.22 177.60 2kzn h THR 68 N 3.95 1.32 -2.41 0.64 2.02 -1.89 -2.89 112.91 113.65 2kzn h THR 68 Ca -0.33 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 65.48 2kzn h THR 68 Cb 1.18 1.71 -0.15 0.00 -1.74 0.00 0.00 68.15 69.15 2kzn h THR 68 CO 0.52 0.44 0.37 -1.59 0.37 0.00 0.00 175.52 175.63 2kzn s LYS 69 N -4.31 0.98 0.28 6.66 -2.85 -1.26 -4.28 119.74 114.95 2kzn s LYS 69 Ca -0.13 -0.24 0.04 0.00 -1.00 0.00 0.00 55.97 54.63 2kzn s LYS 69 Cb 0.07 0.45 0.04 0.00 -2.06 0.00 0.00 37.83 36.33 2kzn s LYS 69 CO 0.80 -0.40 0.29 -0.35 0.10 0.00 0.00 175.35 175.79 2kzn n PRO 70 N -0.05 0.96 -3.68 1.78 -0.04 -1.26 -4.89 135.00 127.81 2kzn n PRO 70 Ca -0.13 -1.63 -0.36 0.00 -0.04 0.00 0.00 63.50 61.34 2kzn n PRO 70 Cb 0.62 0.04 -0.08 0.00 -0.04 0.00 0.00 33.50 34.04 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 -1.09 5.38 -0.05 0.52 1.01 0.70 -4.93 121.20 122.75 2kzn s ILE 71 Ca 0.22 0.25 0.29 0.00 0.00 0.00 0.00 60.65 61.42 2kzn s ILE 71 Cb -0.02 -3.51 0.30 0.00 0.01 0.00 0.00 42.46 39.25 2kzn s ILE 71 CO 0.14 0.41 1.87 1.05 0.00 0.00 0.00 174.94 178.42 2kzn h GLU 72 N 6.82 0.00 0.27 2.79 -0.00 -1.89 -3.21 114.58 119.36 2kzn h GLU 72 Ca -0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.94 2kzn h GLU 72 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2kzn h GLU 72 CO 0.74 0.00 -0.13 1.49 -0.00 0.00 0.00 179.01 181.11 2kzn h GLU 73 N 0.00 -0.34 0.00 1.06 4.57 -1.95 -3.35 114.58 114.57 2kzn h GLU 73 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2kzn h GLU 73 Cb 0.18 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2kzn h GLU 73 CO 0.00 -0.22 0.00 0.39 -1.18 0.00 0.00 179.01 178.00 2kzn n GLU 74 N -5.24 1.46 -4.52 1.92 -0.58 -1.25 -5.02 120.64 107.41 2kzn n GLU 74 Ca -0.10 -1.01 -0.34 0.00 -0.42 0.00 0.00 57.16 55.30 2kzn n GLU 74 Cb 0.17 -0.85 -0.11 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.54 3.81 -0.07 2.62 1.01 -1.21 -2.73 120.40 123.29 2kzn s VAL 75 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2kzn s VAL 75 Cb 0.00 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2kzn s VAL 75 CO 0.00 0.56 0.00 -0.70 0.00 0.00 0.00 175.10 174.96 2kzn s GLU 76 N -0.34 0.61 -0.04 2.72 2.56 -1.06 -4.77 118.70 118.38 2kzn s GLU 76 Ca 0.05 0.10 -0.25 0.00 0.00 0.00 0.00 54.97 54.88 2kzn s GLU 76 Cb -0.12 -0.97 -0.04 0.00 2.00 0.00 0.00 34.13 35.00 2kzn s GLU 76 CO 0.02 -0.30 0.75 -1.83 -0.56 0.00 0.00 175.26 173.34 2kzn s GLU 77 N 1.95 4.46 -0.22 4.30 4.04 -1.26 -0.76 118.70 131.22 2kzn s GLU 77 Ca 0.05 0.98 -0.01 0.00 0.04 0.00 0.00 54.97 56.02 2kzn s GLU 77 Cb -0.12 -3.44 0.06 0.00 0.02 0.00 0.00 34.13 30.65 2kzn s GLU 77 CO -0.05 0.08 0.00 0.21 -1.84 0.00 0.00 175.26 173.66 2kzn s LYS 78 N 0.72 1.04 0.41 -4.83 2.47 0.65 -4.96 119.74 115.24 2kzn s LYS 78 Ca 0.40 -0.69 -0.25 0.00 -1.56 0.00 0.00 55.97 53.87 2kzn s LYS 78 Cb -0.19 -2.30 -0.08 0.00 -1.46 0.00 0.00 37.83 33.80 2kzn s LYS 78 CO 0.20 -0.64 1.22 -1.17 0.16 0.00 0.00 175.35 175.11 2kzn s LEU 79 N 1.66 4.19 0.01 5.43 2.96 -1.26 -1.25 118.68 130.41 2kzn s LEU 79 Ca -0.02 2.46 0.04 0.00 -0.22 0.00 0.00 54.13 56.38 2kzn s LEU 79 Cb -0.18 -3.99 -0.01 0.00 0.50 0.00 0.00 46.19 42.50 2kzn s LEU 79 CO -0.08 -0.76 -0.11 -0.62 -1.32 0.00 0.00 176.35 173.45 2kzn s ASP 80 N -1.01 1.33 -0.15 3.68 -1.08 0.40 -4.94 116.67 114.90 2kzn s ASP 80 Ca 0.58 -0.28 0.13 0.00 -0.52 0.00 0.00 52.55 52.45 2kzn s ASP 80 Cb -0.33 -0.12 0.29 0.00 -1.46 0.00 0.00 42.92 41.30 2kzn s ASP 80 CO 0.42 0.09 1.22 1.07 0.52 0.00 0.00 175.17 178.49 2kzn n THR 81 N 2.50 0.21 -0.28 1.71 5.66 -1.25 -2.61 114.28 120.23 2kzn n THR 81 Ca -0.15 -0.98 -0.03 0.00 -3.05 0.00 0.00 64.05 59.83 2kzn n THR 81 Cb 0.56 0.88 0.13 0.00 -1.55 0.00 0.00 70.33 70.35 2kzn n THR 81 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kzn h SER 82 N 0.93 1.02 -0.64 1.09 0.02 -1.97 -1.83 113.55 112.18 2kzn h SER 82 Ca -0.40 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2kzn h SER 82 Cb 1.44 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kzn h SER 82 CO -0.11 0.84 0.00 1.57 -1.14 0.00 0.00 176.83 178.00 2kzn n HIS 83 N -4.33 1.44 -2.94 3.45 -0.00 -1.26 -4.92 115.22 106.66 2kzn n HIS 83 Ca 0.08 -0.58 -0.12 0.00 -0.00 0.00 0.00 57.72 57.10 2kzn n HIS 83 Cb 0.12 -0.23 0.03 0.00 -0.00 0.00 0.00 29.99 29.91 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kzn n GLY 84 N 1.15 0.15 2.94 1.57 0.00 -0.69 -5.05 105.19 105.27 2kzn n GLY 84 Ca 0.25 -0.23 -0.15 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 -5.52 0.37 -0.13 1.61 -2.45 -1.26 -5.09 119.30 106.83 2kzn s MET 85 Ca 0.26 -0.15 -0.29 0.00 -1.25 0.00 0.00 55.69 54.26 2kzn s MET 85 Cb -0.11 -0.37 -0.01 0.00 1.25 0.00 0.00 34.83 35.58 2kzn s MET 85 CO 0.32 0.08 1.13 0.42 1.05 0.00 0.00 175.02 178.03 2kzn s ILE 86 N -0.04 4.49 -0.07 10.11 -1.09 -1.26 -3.80 121.20 129.54 2kzn s ILE 86 Ca 0.01 1.79 -0.25 0.00 -2.23 0.00 0.00 60.65 59.97 2kzn s ILE 86 Cb -0.03 -4.15 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 2kzn s ILE 86 CO -0.00 -0.07 0.56 0.00 -1.23 0.00 0.00 174.94 174.20 2kzn s ARG 87 N 2.70 0.89 0.02 2.79 3.03 -1.07 -4.87 118.95 122.44 2kzn s ARG 87 Ca 0.51 0.24 0.06 0.00 2.03 0.00 0.00 55.73 58.57 2kzn s ARG 87 Cb -0.20 0.42 -0.02 0.00 -1.03 0.00 0.00 34.95 34.11 2kzn s ARG 87 CO 0.16 -0.25 -0.17 0.99 -1.13 0.00 0.00 175.30 174.90 2kzn s THR 88 N -0.96 1.38 -0.03 4.99 2.01 -1.14 -0.45 115.64 121.43 2kzn s THR 88 Ca -0.10 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.00 2kzn s THR 88 Cb -0.02 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2kzn s THR 88 CO 0.07 0.19 -0.26 -1.83 -0.69 0.00 0.00 174.62 172.10 2kzn s GLU 89 N -0.92 2.22 -0.73 4.92 -1.05 -0.38 -0.88 118.70 121.88 2kzn s GLU 89 Ca 0.05 -0.92 -0.18 0.00 -0.15 0.00 0.00 54.97 53.77 2kzn s GLU 89 Cb -0.08 -2.07 0.13 0.00 -0.44 0.00 0.00 34.13 31.68 2kzn s GLU 89 CO 0.01 0.51 0.85 0.14 0.95 0.00 0.00 175.26 177.72 2kzn s VAL 90 N -0.49 4.90 0.07 1.83 -7.23 -0.88 -0.25 120.40 118.34 2kzn s VAL 90 Ca 0.06 -1.37 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 2kzn s VAL 90 Cb -0.11 -4.58 -0.06 0.00 0.56 0.00 0.00 36.38 32.19 2kzn s VAL 90 CO 0.00 -1.24 0.50 0.00 -0.31 0.00 0.00 175.10 174.06 2kzn s ARG 91 N 2.34 4.02 0.91 4.82 1.70 0.06 -2.75 118.95 130.06 2kzn s ARG 91 Ca 0.19 0.53 -0.12 0.00 -0.47 0.00 0.00 55.73 55.87 2kzn s ARG 91 Cb -0.16 -3.13 0.14 0.00 -0.57 0.00 0.00 34.95 31.23 2kzn s ARG 91 CO -0.00 0.61 1.11 0.45 -1.08 0.00 0.00 175.30 176.38 2kzn s SER 92 N -1.31 3.44 0.04 -2.89 0.15 -1.24 -2.55 113.70 109.34 2kzn s SER 92 Ca 0.30 1.22 -0.14 0.00 0.70 0.00 0.00 55.95 58.03 2kzn s SER 92 Cb -0.17 -1.88 -0.33 0.00 -1.71 0.00 0.00 66.02 61.93 2kzn s SER 92 CO 0.17 -2.62 1.04 -0.09 1.20 0.00 0.00 173.24 172.95 2kzn h ARG 93 N -1.54 0.53 0.00 5.44 9.65 -1.90 -3.39 114.38 123.16 2kzn h ARG 93 Ca -0.51 -0.86 0.00 0.00 -1.10 0.00 0.00 59.98 57.52 2kzn h ARG 93 Cb 1.31 0.31 0.00 0.00 -1.39 0.00 0.00 29.97 30.20 2kzn h ARG 93 CO 0.58 1.40 0.00 2.41 2.80 0.00 0.00 179.97 187.17 2kzn n THR 94 N -3.71 0.00 0.02 0.20 -1.04 -1.26 -4.92 114.28 103.57 2kzn n THR 94 Ca -0.15 1.39 0.00 0.00 -2.04 0.00 0.00 64.05 63.25 2kzn n THR 94 Cb 1.07 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 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 -1.81 3.00 -0.52 2.41 0.00 -1.26 -5.12 120.51 117.20 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 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2kzn n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kzn n ASP 96 N -2.74 0.00 0.00 0.00 8.00 -1.26 -4.92 116.55 115.62 2kzn n ASP 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kzn n ASP 96 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2kzn n SER 97 N -1.84 0.00 0.26 -2.24 3.41 -1.26 -4.21 113.62 107.74 2kzn n SER 97 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2kzn n SER 97 Cb 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.00 7.33 3.86 -1.89 -2.90 115.15 121.55 2kzn h HIS 98 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kzn h HIS 98 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2kzn h HIS 98 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2kzn n LEU 99 N -2.70 0.00 0.00 2.43 4.77 -1.26 -4.83 117.00 115.41 2kzn n LEU 99 Ca 0.02 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 2kzn n LEU 99 Cb 0.93 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2kzn n LEU 99 CO 0.06 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 2kzn n GLY 100 N -0.84 -0.79 3.33 -0.72 0.00 -1.09 -3.08 105.19 101.99 2kzn n GLY 100 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 1.56 0.12 1.61 0.09 -0.88 -2.08 115.29 112.71 2kzn s HIS 101 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 55.06 54.24 2kzn s HIS 101 Cb 0.00 -0.86 -0.04 0.00 -0.00 0.00 0.00 32.58 31.67 2kzn s HIS 101 CO 0.00 0.07 0.01 0.14 -0.00 0.00 0.00 174.74 174.96 2kzn s VAL 102 N -3.29 0.34 0.01 -0.90 -7.23 -0.06 -1.43 120.40 107.84 2kzn s VAL 102 Ca 0.25 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 2kzn s VAL 102 Cb 0.04 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 35.13 2kzn s VAL 102 CO 0.07 -0.65 0.40 0.72 -0.31 0.00 0.00 175.10 175.33 2kzn s PHE 103 N -3.87 -0.27 -2.02 2.82 -0.71 -1.21 -2.89 117.98 109.83 2kzn s PHE 103 Ca 0.18 0.34 0.31 0.00 -1.04 0.00 0.00 56.93 56.72 2kzn s PHE 103 Cb 0.07 0.19 1.64 0.00 -1.21 0.00 0.00 43.02 43.71 2kzn s PHE 103 CO -0.01 -0.51 2.08 0.09 -1.34 0.00 0.00 175.22 175.53 2kzn n ASN 104 N 0.83 0.34 0.04 1.98 4.13 -1.26 -1.68 115.26 119.63 2kzn n ASN 104 Ca -0.20 -0.99 0.12 0.00 1.68 0.00 0.00 54.58 55.20 2kzn n ASN 104 Cb 0.58 -0.03 0.30 0.00 -1.54 0.00 0.00 39.78 39.09 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kzn n ASP 105 N -0.79 0.54 -4.31 6.41 2.03 -1.26 -4.81 116.55 114.36 2kzn n ASP 105 Ca 0.21 0.13 -0.34 0.00 0.52 0.00 0.00 54.79 55.31 2kzn n ASP 105 Cb 0.18 -0.04 -0.15 0.00 -0.72 0.00 0.00 41.12 40.40 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 -3.34 1.53 0.15 0.27 0.00 -1.22 -5.09 107.32 99.63 2kzn s GLY 106 Ca 0.10 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.48 2kzn s GLY 106 CO 0.67 0.06 1.69 2.56 0.00 0.00 0.00 173.10 178.08 2kzn s PRO 107 N 0.83 4.17 -0.03 2.90 0.04 -1.26 -3.76 135.00 137.89 2kzn s PRO 107 Ca -0.04 2.48 -0.21 0.00 0.04 0.00 0.00 61.00 63.27 2kzn s PRO 107 Cb -0.15 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.11 2kzn s PRO 107 CO 0.00 -0.73 0.45 0.20 0.04 0.00 0.00 177.00 176.97 2kzn s GLY 108 N 1.76 -0.32 0.60 0.56 0.00 -1.25 -4.79 107.32 103.89 2kzn s GLY 108 Ca 0.75 0.71 0.32 0.00 0.00 0.00 0.00 44.72 46.50 2kzn s GLY 108 CO 0.33 0.44 2.27 -2.55 0.00 0.00 0.00 173.10 173.59 2kzn h PRO 109 N 3.55 0.00 0.00 2.90 0.11 -1.84 -0.21 132.00 136.51 2kzn h PRO 109 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2kzn h PRO 109 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kzn h PRO 109 CO 0.39 0.00 -0.20 -1.71 -0.21 0.00 0.00 178.00 176.27 2kzn n ASN 110 N -3.72 0.69 0.00 -2.05 5.15 -1.26 -4.93 115.26 109.15 2kzn n ASN 110 Ca -0.03 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2kzn n ASN 110 Cb 0.09 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 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 1.34 1.53 3.65 8.20 0.00 -0.09 -5.04 105.19 114.78 2kzn n GLY 111 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 3.15 -0.27 0.99 1.43 -1.26 -4.35 118.68 118.37 2kzn s LEU 112 Ca 0.00 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 2kzn s LEU 112 Cb 0.00 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.64 2kzn s LEU 112 CO 0.00 -0.08 -0.08 -0.60 0.23 0.00 0.00 176.35 175.82 2kzn s ARG 113 N -3.70 2.06 -0.69 1.70 3.00 -0.68 -3.93 118.95 116.71 2kzn s ARG 113 Ca 0.33 -1.37 -0.27 0.00 -1.00 0.00 0.00 55.73 53.42 2kzn s ARG 113 Cb -0.05 -2.89 0.02 0.00 0.00 0.00 0.00 34.95 32.03 2kzn s ARG 113 CO 0.20 -0.62 1.39 0.71 0.00 0.00 0.00 175.30 176.98 2kzn s TYR 114 N 1.12 2.19 -0.66 5.12 1.51 -1.09 -3.30 117.35 122.23 2kzn s TYR 114 Ca -0.06 0.17 -0.16 0.00 -1.01 0.00 0.00 57.07 56.02 2kzn s TYR 114 Cb -0.20 -4.51 0.16 0.00 -0.11 0.00 0.00 41.96 37.31 2kzn s TYR 114 CO -0.06 -2.08 0.63 0.00 -1.11 0.00 0.00 175.55 172.93 2kzn s ILE 116 N 1.18 3.85 -0.20 0.00 -1.09 -1.08 -2.06 121.20 121.80 2kzn s ILE 116 Ca 0.10 -0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 57.92 2kzn s ILE 116 Cb -0.22 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2kzn s ILE 116 CO -0.01 0.53 0.63 0.54 -1.23 0.00 0.00 174.94 175.39 2kzn s ASN 117 N -0.04 6.68 0.41 3.58 6.03 -1.18 -3.03 114.94 127.39 2kzn s ASN 117 Ca 0.01 0.82 0.29 0.00 -1.03 0.00 0.00 52.86 52.96 2kzn s ASN 117 Cb -0.13 -2.35 1.29 0.00 -3.03 0.00 0.00 41.25 37.03 2kzn s ASN 117 CO 0.03 -0.27 1.87 -1.28 -2.03 0.00 0.00 177.10 175.41 2kzn h SER 118 N 7.49 0.00 0.33 3.54 0.87 -1.92 -1.28 113.55 122.57 2kzn h SER 118 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2kzn h SER 118 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2kzn h SER 118 CO 0.77 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.07 2kzn n ALA 119 N -1.92 2.02 -0.09 6.23 0.00 -1.26 -2.65 120.51 122.85 2kzn n ALA 119 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kzn n ALA 119 Cb 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2kzn n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kzn n ALA 120 N -1.26 1.98 -2.88 0.00 0.00 -0.49 -4.49 120.51 113.36 2kzn n ALA 120 Ca 0.09 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 2kzn n ALA 120 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.62 4.12 -0.16 0.00 1.43 -1.08 -2.62 118.68 119.75 2kzn s LEU 121 Ca 0.00 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2kzn s LEU 121 Cb 0.00 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.57 2kzn s LEU 121 CO 0.00 0.06 0.08 -0.60 0.23 0.00 0.00 176.35 176.12 2kzn s ARG 122 N -3.19 0.10 -0.42 1.70 3.52 -0.30 -4.81 118.95 115.55 2kzn s ARG 122 Ca 0.33 -0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.59 2kzn s ARG 122 Cb -0.11 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.61 2kzn s ARG 122 CO 0.26 -0.62 1.23 -0.06 -0.81 0.00 0.00 175.30 175.30 2kzn s PHE 123 N 2.12 2.71 -0.51 5.12 0.08 -1.26 -0.97 117.98 125.27 2kzn s PHE 123 Ca 0.02 0.77 -0.06 0.00 0.12 0.00 0.00 56.93 57.79 2kzn s PHE 123 Cb -0.16 -4.26 0.13 0.00 -0.57 0.00 0.00 43.02 38.17 2kzn s PHE 123 CO -0.08 -1.48 0.35 0.08 -0.10 0.00 0.00 175.22 173.99 2kzn s VAL 124 N 4.65 3.84 0.90 -0.44 1.01 -0.26 -4.97 120.40 125.13 2kzn s VAL 124 Ca 0.53 -2.23 -0.11 0.00 0.00 0.00 0.00 61.98 60.17 2kzn s VAL 124 Cb -0.11 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.86 2kzn s VAL 124 CO 0.29 -0.79 1.11 -2.84 0.00 0.00 0.00 175.10 172.88 2kzn s PRO 125 N 0.84 1.21 0.59 2.72 0.02 -1.26 -1.03 135.00 138.08 2kzn s PRO 125 Ca 0.10 1.28 0.29 0.00 0.02 0.00 0.00 61.00 62.69 2kzn s PRO 125 Cb -0.22 -1.77 1.53 0.00 0.02 0.00 0.00 34.50 34.05 2kzn s PRO 125 CO -0.03 -2.41 1.96 -0.22 -0.33 0.00 0.00 177.00 175.97 2kzn h LYS 126 N -1.70 0.00 -0.28 5.54 3.11 -1.86 0.13 116.57 121.52 2kzn h LYS 126 Ca -0.46 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.27 2kzn h LYS 126 Cb 1.27 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2kzn h LYS 126 CO 0.47 0.00 -0.26 1.25 -2.81 0.00 0.00 179.45 178.10 2kzn h HIS 127 N 0.00 0.80 0.00 1.91 2.76 -1.91 -2.64 115.15 116.08 2kzn h HIS 127 Ca 0.18 -0.24 -0.17 0.00 -2.20 0.00 0.00 60.37 57.94 2kzn h HIS 127 Cb 0.97 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 2kzn h HIS 127 CO 0.00 0.96 -0.80 0.87 -1.30 0.00 0.00 177.93 177.67 2kzn h LYS 128 N 0.41 0.00 0.00 5.26 1.79 -1.18 -2.89 116.57 119.96 2kzn h LYS 128 Ca 0.05 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 2kzn h LYS 128 Cb 0.82 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2kzn h LYS 128 CO 0.07 0.80 -0.44 -0.07 -1.08 0.00 0.00 179.45 178.72 2kzn h LEU 129 N 0.00 0.00 0.00 2.94 3.38 -0.98 0.19 115.31 120.83 2kzn h LEU 129 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2kzn h LEU 129 Cb 1.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 2kzn h LEU 129 CO 0.10 0.44 -1.05 0.50 0.09 0.00 0.00 178.44 178.52 2kzn h LYS 130 N 0.00 0.00 0.10 1.13 3.64 -1.43 0.17 116.57 120.18 2kzn h LYS 130 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2kzn h LYS 130 Cb 0.91 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2kzn h LYS 130 CO 0.06 0.88 -1.51 1.49 -2.27 0.00 0.00 179.45 178.10 2kzn h GLU 131 N 0.00 0.22 -0.53 1.90 4.57 -1.28 -3.36 114.58 116.10 2kzn h GLU 131 Ca -0.05 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2kzn h GLU 131 Cb 1.76 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2kzn h GLU 131 CO 0.12 1.08 0.00 -1.91 -1.18 0.00 0.00 179.01 177.11 2kzn n GLU 132 N -3.43 3.94 -2.78 1.92 2.13 0.63 -4.95 120.64 118.10 2kzn n GLU 132 Ca -0.15 -2.93 -0.10 0.00 0.66 0.00 0.00 57.16 54.64 2kzn n GLU 132 Cb 1.04 -1.97 0.02 0.00 0.27 0.00 0.00 31.44 30.80 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 0.61 0.28 0.70 8.31 0.00 -1.22 -4.95 105.19 108.91 2kzn n GLY 133 Ca 0.25 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.63 0.48 -0.31 1.61 4.01 0.55 -4.83 117.16 115.05 2kzn n TYR 134 Ca -0.02 -1.33 0.28 0.00 -0.16 0.00 0.00 57.90 56.67 2kzn n TYR 134 Cb 0.54 -0.31 0.62 0.00 -0.31 0.00 0.00 39.34 39.87 2kzn n TYR 134 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2kzn h GLU 135 N 0.89 0.20 -0.24 -0.72 4.57 -1.81 0.72 114.58 118.18 2kzn h GLU 135 Ca 0.07 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.05 2kzn h GLU 135 Cb 1.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2kzn h GLU 135 CO 0.16 0.13 -0.60 0.77 -1.18 0.00 0.00 179.01 178.29 2kzn h SER 136 N 0.20 0.90 0.61 1.04 0.02 -1.90 -3.21 113.55 111.21 2kzn h SER 136 Ca 0.57 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2kzn h SER 136 Cb 1.82 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2kzn h SER 136 CO -0.16 1.29 0.00 -1.22 -1.14 0.00 0.00 176.83 175.61 2kzn n TYR 137 N -3.98 0.00 0.30 3.45 4.01 0.24 -2.39 117.16 118.79 2kzn n TYR 137 Ca -0.05 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.87 2kzn n TYR 137 Cb 0.65 -0.42 1.00 0.00 -0.31 0.00 0.00 39.34 40.26 2kzn n TYR 137 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2kzn h LEU 138 N 0.00 0.00 -0.97 7.72 4.07 -1.55 -1.69 115.31 122.90 2kzn h LEU 138 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.08 2kzn h LEU 138 Cb 0.30 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 2kzn h LEU 138 CO 0.00 0.00 0.60 -0.74 -1.08 0.00 0.00 178.44 177.22 2kzn h HIS 139 N 0.00 1.08 -0.34 1.13 -0.00 -1.70 -0.76 115.15 114.56 2kzn h HIS 139 Ca 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2kzn h HIS 139 Cb 0.09 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 2kzn h HIS 139 CO 0.00 0.43 0.13 -0.07 -0.00 0.00 0.00 177.93 178.42 2kzn h LEU 140 N 0.95 0.47 0.03 0.26 3.38 -1.54 -3.27 115.31 115.58 2kzn h LEU 140 Ca 0.48 -0.17 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 2kzn h LEU 140 Cb 0.46 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.11 2kzn h LEU 140 CO -0.26 0.51 -1.14 0.15 0.09 0.00 0.00 178.44 177.79 2kzn h PHE 141 N 0.39 0.92 -2.84 1.13 3.57 -1.59 -3.47 116.94 115.06 2kzn h PHE 141 Ca 0.11 -0.55 -0.54 0.00 3.53 0.00 0.00 57.97 60.53 2kzn h PHE 141 Cb 0.19 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2kzn h PHE 141 CO -0.00 1.39 -0.34 1.21 -2.23 0.00 0.00 178.31 178.34 2kzn s ASN 142 N -7.31 6.39 0.35 0.41 2.47 -0.31 -4.72 114.94 112.22 2kzn s ASN 142 Ca -0.08 0.39 -0.19 0.00 0.42 0.00 0.00 52.86 53.40 2kzn s ASN 142 Cb 0.07 -2.01 -0.10 0.00 -1.45 0.00 0.00 41.25 37.76 2kzn s ASN 142 CO 0.92 -0.04 0.84 -0.75 -3.72 0.00 0.00 177.10 174.34 2kzn s LYS 143 N -3.31 4.18 -1.20 0.43 2.20 -1.26 -4.75 119.74 116.03 2kzn s LYS 143 Ca 0.38 0.93 -0.19 0.00 -0.36 0.00 0.00 55.97 56.73 2kzn s LYS 143 Cb -0.11 -2.43 0.07 0.00 -1.51 0.00 0.00 37.83 33.85 2kzn s LYS 143 CO 0.29 0.13 1.62 -0.51 -0.36 0.00 0.00 175.35 176.52 2kzn s LEU 144 N -2.84 3.86 -0.30 5.43 2.01 -1.26 -4.76 118.68 120.82 2kzn s LEU 144 Ca 0.55 -2.19 -0.13 0.00 0.01 0.00 0.00 54.13 52.37 2kzn s LEU 144 Cb -0.11 -2.56 0.15 0.00 0.01 0.00 0.00 46.19 43.68 2kzn s LEU 144 CO 0.17 -1.23 0.84 -1.83 1.01 0.00 0.00 176.35 175.30 2kzn s GLU 145 N 4.22 0.42 -0.35 1.70 -1.05 -1.26 -5.14 118.70 117.24 2kzn s GLU 145 Ca 0.50 1.03 -0.28 0.00 -0.15 0.00 0.00 54.97 56.07 2kzn s GLU 145 Cb 0.02 0.62 -0.01 0.00 -0.44 0.00 0.00 34.13 34.32 2kzn s GLU 145 CO 0.02 -0.15 1.70 -1.58 0.95 0.00 0.00 175.26 176.20 2kzn s HIS 146 N 2.65 1.96 -2.62 4.83 5.65 -1.26 -5.19 115.29 121.31 2kzn s HIS 146 Ca -0.03 0.63 0.21 0.00 0.25 0.00 0.00 55.06 56.12 2kzn s HIS 146 Cb -0.09 -4.18 0.17 0.00 -1.18 0.00 0.00 32.58 27.30 2kzn s HIS 146 CO -0.18 -2.71 1.16 0.72 -0.65 0.00 0.00 174.74 173.08