#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 0.85 -1.05 3.04 0.00 -1.26 -5.09 121.76 118.26 2kzn s ALA 2 Ca 0.00 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.27 2kzn s ALA 2 Cb 0.00 0.94 0.03 0.00 0.00 0.00 0.00 23.12 24.09 2kzn s ALA 2 CO 0.00 -0.51 1.57 0.71 0.00 0.00 0.00 175.76 177.53 2kzn s TYR 3 N -4.06 2.44 0.41 0.00 2.02 -1.26 -4.78 117.35 112.13 2kzn s TYR 3 Ca 0.26 -0.70 0.07 0.00 -0.37 0.00 0.00 57.07 56.33 2kzn s TYR 3 Cb 0.07 -4.59 -0.06 0.00 -0.40 0.00 0.00 41.96 36.98 2kzn s TYR 3 CO 0.03 -1.87 0.15 -0.80 -1.57 0.00 0.00 175.55 171.49 2kzn s ASN 4 N 5.36 4.34 0.37 2.29 -0.87 -1.26 -5.04 114.94 120.13 2kzn s ASN 4 Ca 0.51 -1.12 0.09 0.00 -1.57 0.00 0.00 52.86 50.76 2kzn s ASN 4 Cb -0.00 -0.47 0.74 0.00 -0.02 0.00 0.00 41.25 41.49 2kzn s ASN 4 CO -0.06 -0.53 1.90 0.11 -2.57 0.00 0.00 177.10 175.95 2kzn h LYS 5 N 1.48 0.28 0.03 -0.60 6.56 -1.99 -1.90 116.57 120.43 2kzn h LYS 5 Ca -0.43 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2kzn h LYS 5 Cb 1.25 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2kzn h LYS 5 CO 0.72 0.42 -0.01 0.93 -2.06 0.00 0.00 179.45 179.44 2kzn h GLU 6 N 0.27 -0.03 -0.13 3.15 4.39 -1.96 -0.66 114.58 119.61 2kzn h GLU 6 Ca 0.05 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.53 2kzn h GLU 6 Cb 0.39 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2kzn h GLU 6 CO 0.02 -0.00 -0.80 0.93 -1.16 0.00 0.00 179.01 178.00 2kzn h GLU 7 N -0.05 0.75 0.09 2.33 3.07 -1.84 -0.56 114.58 118.36 2kzn h GLU 7 Ca -0.00 -0.63 0.02 0.00 -0.50 0.00 0.00 59.36 58.24 2kzn h GLU 7 Cb 0.04 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 2kzn h GLU 7 CO 0.01 1.23 -0.18 -0.22 -1.40 0.00 0.00 179.01 178.45 2kzn h LYS 8 N 0.50 -0.33 -0.01 2.33 1.63 -1.30 -2.30 116.57 117.09 2kzn h LYS 8 Ca -0.06 0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 2kzn h LYS 8 Cb 1.43 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 33.12 2kzn h LYS 8 CO 0.16 -0.22 -0.71 0.82 -3.45 0.00 0.00 179.45 176.05 2kzn h ILE 9 N -0.34 1.48 0.33 2.00 1.08 -1.20 -2.25 117.51 118.61 2kzn h ILE 9 Ca 0.03 -2.36 -0.00 0.00 -0.39 0.00 0.00 64.86 62.13 2kzn h ILE 9 Cb 0.36 2.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 2kzn h ILE 9 CO -0.11 0.68 -0.26 0.50 -0.69 0.00 0.00 178.15 178.27 2kzn h LYS 10 N 0.05 -0.58 -0.32 2.37 3.64 -0.87 0.19 116.57 121.05 2kzn h LYS 10 Ca -0.01 0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 2kzn h LYS 10 Cb 1.26 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2kzn h LYS 10 CO 0.10 -0.38 -0.48 1.03 -2.27 0.00 0.00 179.45 177.44 2kzn h SER 11 N -0.60 0.98 -0.80 4.20 0.87 -1.49 -2.71 113.55 114.00 2kzn h SER 11 Ca -0.02 -0.49 0.06 0.00 -1.23 0.00 0.00 61.79 60.10 2kzn h SER 11 Cb 0.53 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2kzn h SER 11 CO -0.02 1.29 0.52 0.25 -0.53 0.00 0.00 176.83 178.35 2kzn h LEU 12 N 0.70 0.78 -1.06 2.23 5.85 -1.33 -2.61 115.31 119.87 2kzn h LEU 12 Ca 0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2kzn h LEU 12 Cb 1.09 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2kzn h LEU 12 CO 0.11 0.51 -0.18 0.78 -0.34 0.00 0.00 178.44 179.33 2kzn h ASN 13 N 0.89 0.45 -0.05 1.25 -0.26 -0.31 -0.33 115.58 117.22 2kzn h ASN 13 Ca 0.34 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.97 2kzn h ASN 13 Cb 0.19 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2kzn h ASN 13 CO -0.12 0.65 0.04 -0.09 -1.06 0.00 0.00 177.43 176.85 2kzn h ARG 14 N 0.42 0.00 0.00 0.81 2.43 -1.23 0.21 114.38 117.02 2kzn h ARG 14 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2kzn h ARG 14 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2kzn h ARG 14 CO 0.04 0.00 -0.16 1.98 -1.51 0.00 0.00 179.97 180.32 2kzn h MET 15 N 0.00 0.00 -0.23 0.20 4.05 -1.31 -3.32 114.93 114.32 2kzn h MET 15 Ca 0.02 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 2kzn h MET 15 Cb 0.10 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2kzn h MET 15 CO -0.00 0.12 -0.14 1.96 0.23 0.00 0.00 176.91 179.07 2kzn h GLN 16 N -1.00 0.50 -0.72 0.39 4.20 -1.00 -2.65 115.11 114.83 2kzn h GLN 16 Ca -0.01 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 2kzn h GLN 16 Cb 0.25 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2kzn h GLN 16 CO -0.01 0.79 0.33 -0.92 -0.67 0.00 0.00 178.83 178.35 2kzn h TYR 17 N 0.20 1.03 -0.97 2.96 3.20 -1.19 0.06 116.97 122.26 2kzn h TYR 17 Ca 0.05 -0.05 0.13 0.00 3.14 0.00 0.00 58.73 61.99 2kzn h TYR 17 Cb 0.66 -0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 2kzn h TYR 17 CO 0.07 0.76 0.62 1.49 -1.64 0.00 0.00 178.16 179.46 2kzn h GLU 18 N 1.02 0.89 0.02 1.82 4.57 -1.62 -2.27 114.58 119.01 2kzn h GLU 18 Ca 0.25 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2kzn h GLU 18 Cb 0.13 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2kzn h GLU 18 CO -0.03 0.59 -0.01 0.28 -1.18 0.00 0.00 179.01 178.66 2kzn h VAL 19 N 0.92 0.64 -0.63 0.32 2.07 -0.91 -2.55 116.25 116.11 2kzn h VAL 19 Ca 0.48 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2kzn h VAL 19 Cb 0.55 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2kzn h VAL 19 CO -0.25 0.21 0.22 0.74 0.02 0.00 0.00 177.57 178.51 2kzn h THR 20 N -1.00 1.23 0.00 2.57 2.02 -1.10 0.07 112.91 116.71 2kzn h THR 20 Ca -0.00 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 2kzn h THR 20 Cb 0.37 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2kzn h THR 20 CO 0.00 0.30 -0.30 1.56 0.37 0.00 0.00 175.52 177.45 2kzn h GLN 21 N 0.92 0.00 -0.00 6.66 1.08 -1.55 -3.37 115.11 118.84 2kzn h GLN 21 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2kzn h GLN 21 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2kzn h GLN 21 CO -0.01 0.94 -0.60 -1.71 -0.95 0.00 0.00 178.83 176.50 2kzn n ASN 22 N -4.58 0.97 -2.45 1.46 5.15 -0.96 -4.93 115.26 109.92 2kzn n ASN 22 Ca -0.15 -0.78 -0.18 0.00 -0.60 0.00 0.00 54.58 52.88 2kzn n ASN 22 Cb 0.50 0.49 0.03 0.00 -0.53 0.00 0.00 39.78 40.27 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 -1.13 -5.19 -4.57 1.20 4.13 -0.01 -5.02 115.26 104.67 2kzn n ASN 23 Ca 0.07 -0.24 -0.27 0.00 1.68 0.00 0.00 54.58 55.82 2kzn n ASN 23 Cb 0.36 -4.02 0.12 0.00 -1.54 0.00 0.00 39.78 34.70 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2kzn s GLY 24 N -2.80 1.73 0.09 7.41 0.00 -1.09 -5.02 107.32 107.64 2kzn s GLY 24 Ca 0.25 -1.20 -0.26 0.00 0.00 0.00 0.00 44.72 43.51 2kzn s GLY 24 CO 0.31 -0.61 0.89 -1.08 0.00 0.00 0.00 173.10 172.61 2kzn s THR 25 N -3.49 0.00 0.13 0.90 -1.32 -1.26 -4.45 115.64 106.15 2kzn s THR 25 Ca 0.67 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.83 2kzn s THR 25 Cb -0.07 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 2kzn s THR 25 CO 0.48 0.00 0.28 -1.83 -2.21 0.00 0.00 174.62 171.34 2kzn s GLU 26 N -3.28 3.45 0.07 7.08 -1.05 -1.26 -5.09 118.70 118.62 2kzn s GLU 26 Ca 0.08 -0.51 -0.31 0.00 -0.15 0.00 0.00 54.97 54.09 2kzn s GLU 26 Cb -0.01 -2.97 -0.08 0.00 -0.44 0.00 0.00 34.13 30.63 2kzn s GLU 26 CO -0.04 0.53 1.57 -1.25 0.95 0.00 0.00 175.26 177.02 2kzn s PRO 27 N -3.02 4.23 0.88 -4.83 0.04 -1.26 -4.97 135.00 126.07 2kzn s PRO 27 Ca 0.35 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.52 2kzn s PRO 27 Cb -0.12 -3.51 0.11 0.00 0.04 0.00 0.00 34.50 31.03 2kzn s PRO 27 CO 0.28 -0.66 1.06 -2.30 0.04 0.00 0.00 177.00 175.42 2kzn n PRO 28 N 5.21 -0.21 0.29 0.56 -0.02 -1.26 -4.92 135.00 134.65 2kzn n PRO 28 Ca 0.15 0.01 0.16 0.00 -2.02 0.00 0.00 63.50 61.80 2kzn n PRO 28 Cb 0.41 -2.32 0.90 0.00 -0.02 0.00 0.00 33.50 32.47 2kzn n PRO 28 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2kzn h PHE 29 N -1.49 0.00 -5.95 6.00 0.04 -1.97 -3.46 116.94 110.11 2kzn h PHE 29 Ca -0.44 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 59.93 2kzn h PHE 29 Cb 1.28 0.00 0.09 0.00 2.20 0.00 0.00 35.95 39.52 2kzn h PHE 29 CO 0.47 0.04 -0.77 1.04 -0.60 0.00 0.00 178.31 178.49 2kzn n GLN 30 N -3.56 -6.09 -3.57 1.51 1.13 -1.26 -5.01 117.38 100.53 2kzn n GLN 30 Ca -0.02 0.72 -0.30 0.00 -1.94 0.00 0.00 57.00 55.46 2kzn n GLN 30 Cb 0.15 -5.57 -0.04 0.00 0.11 0.00 0.00 30.24 24.90 2kzn n GLN 30 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2kzn s ASN 31 N -4.00 6.46 0.00 1.08 0.02 -1.26 -4.99 114.94 112.25 2kzn s ASN 31 Ca 0.22 0.60 0.11 0.00 -1.02 0.00 0.00 52.86 52.76 2kzn s ASN 31 Cb -0.10 -2.09 0.56 0.00 0.02 0.00 0.00 41.25 39.63 2kzn s ASN 31 CO 0.78 -0.05 1.22 -1.84 0.02 0.00 0.00 177.10 177.23 2kzn n GLU 32 N -0.40 0.18 -0.06 -0.60 -0.00 -1.26 -1.65 120.64 116.84 2kzn n GLU 32 Ca -0.03 0.16 0.02 0.00 -0.00 0.00 0.00 57.16 57.31 2kzn n GLU 32 Cb 0.53 -1.50 0.03 0.00 -0.00 0.00 0.00 31.44 30.50 2kzn n GLU 32 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 2kzn n TYR 33 N -1.25 0.00 0.30 -1.84 4.11 -1.26 -4.90 117.16 112.32 2kzn n TYR 33 Ca 0.05 -0.42 0.18 0.00 -0.00 0.00 0.00 57.90 57.71 2kzn n TYR 33 Cb 0.08 -0.06 1.01 0.00 -0.00 0.00 0.00 39.34 40.37 2kzn n TYR 33 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2kzn h TRP 34 N 0.00 0.00 -1.04 -3.48 5.08 -1.70 -0.90 115.95 113.90 2kzn h TRP 34 Ca 0.00 0.00 0.27 0.00 1.08 0.00 0.00 58.89 60.24 2kzn h TRP 34 Cb 0.81 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.88 2kzn h TRP 34 CO 0.01 0.00 0.67 -0.44 -1.28 0.00 0.00 178.44 177.40 2kzn h ASP 35 N 0.00 0.43 -2.97 0.11 5.19 -1.91 -3.32 116.42 113.96 2kzn h ASP 35 Ca 0.01 0.08 -0.53 0.00 -0.62 0.00 0.00 57.03 55.97 2kzn h ASP 35 Cb 0.08 0.01 -0.40 0.00 0.18 0.00 0.00 39.33 39.20 2kzn h ASP 35 CO -0.00 0.08 -0.77 -1.38 -3.12 0.00 0.00 179.24 174.05 2kzn s HIS 36 N -5.47 0.73 0.03 4.55 -3.43 -0.34 -5.03 115.29 106.33 2kzn s HIS 36 Ca -0.09 -1.02 -0.29 0.00 -0.80 0.00 0.00 55.06 52.87 2kzn s HIS 36 Cb 0.25 -1.09 -0.17 0.00 -1.43 0.00 0.00 32.58 30.15 2kzn s HIS 36 CO 0.80 -0.78 1.28 -0.22 -2.00 0.00 0.00 174.74 173.82 2kzn h LYS 37 N 8.31 -0.88 -4.57 -0.38 1.63 -1.72 -3.46 116.57 115.50 2kzn h LYS 37 Ca -0.17 0.06 -0.24 0.00 -0.85 0.00 0.00 60.65 59.45 2kzn h LYS 37 Cb 1.04 0.20 -0.18 0.00 -0.60 0.00 0.00 32.23 32.70 2kzn h LYS 37 CO 0.42 -0.56 -0.71 -1.21 -3.45 0.00 0.00 179.45 173.94 2kzn s GLU 38 N -5.08 0.68 0.48 1.90 8.01 -1.26 -5.07 118.70 118.35 2kzn s GLU 38 Ca -0.15 -1.08 -0.21 0.00 0.01 0.00 0.00 54.97 53.54 2kzn s GLU 38 Cb 0.02 -0.20 -0.08 0.00 -4.31 0.00 0.00 34.13 29.56 2kzn s GLU 38 CO 0.50 0.00 1.08 -1.21 0.01 0.00 0.00 175.26 175.64 2kzn s GLU 39 N -2.87 3.76 0.00 1.61 8.01 -1.26 -4.71 118.70 123.24 2kzn s GLU 39 Ca 0.02 1.52 0.00 0.00 0.01 0.00 0.00 54.97 56.52 2kzn s GLU 39 Cb -0.01 -2.21 0.00 0.00 -4.31 0.00 0.00 34.13 27.60 2kzn s GLU 39 CO -0.03 -0.49 0.00 0.41 0.01 0.00 0.00 175.26 175.16 2kzn n GLY 40 N 0.07 0.05 3.44 -1.39 0.00 -1.26 -3.77 105.19 102.34 2kzn n GLY 40 Ca 0.09 -0.24 -0.22 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 2.58 -0.29 0.99 1.43 -0.62 -1.45 118.68 121.33 2kzn s LEU 41 Ca 0.00 -1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 51.93 2kzn s LEU 41 Cb 0.00 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.39 2kzn s LEU 41 CO 0.00 -0.17 0.06 -0.31 0.23 0.00 0.00 176.35 176.16 2kzn s TYR 42 N -2.79 3.13 0.25 0.29 1.51 -0.37 -1.11 117.35 118.26 2kzn s TYR 42 Ca 0.29 -1.06 0.09 0.00 -1.01 0.00 0.00 57.07 55.37 2kzn s TYR 42 Cb 0.00 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 2kzn s TYR 42 CO 0.12 -0.60 -0.15 0.14 -1.11 0.00 0.00 175.55 173.96 2kzn s VAL 43 N 1.47 1.98 -0.67 0.71 -7.23 -0.85 -1.56 120.40 114.26 2kzn s VAL 43 Ca 0.02 -2.26 -0.27 0.00 -1.81 0.00 0.00 61.98 57.66 2kzn s VAL 43 Cb -0.17 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.59 2kzn s VAL 43 CO 0.01 -0.47 1.23 1.51 -0.31 0.00 0.00 175.10 177.07 2kzn s ASP 44 N -3.41 6.29 0.51 4.85 -4.77 -1.20 -1.36 116.67 117.57 2kzn s ASP 44 Ca 0.26 -0.22 0.41 0.00 -3.30 0.00 0.00 52.55 49.70 2kzn s ASP 44 Cb -0.01 -2.55 1.59 0.00 -1.09 0.00 0.00 42.92 40.86 2kzn s ASP 44 CO 0.11 -1.66 1.62 0.40 0.70 0.00 0.00 175.17 176.33 2kzn h ILE 45 N 6.08 0.10 -0.18 2.11 2.04 -1.63 0.18 117.51 126.22 2kzn h ILE 45 Ca -0.27 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2kzn h ILE 45 Cb 1.05 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2kzn h ILE 45 CO 1.23 0.01 -0.00 -0.37 0.00 0.00 0.00 178.15 179.02 2kzn h VAL 46 N 0.03 0.87 0.00 1.67 -1.51 -1.91 -3.35 116.25 112.06 2kzn h VAL 46 Ca 0.85 -0.02 -0.26 0.00 -1.23 0.00 0.00 66.70 66.04 2kzn h VAL 46 Cb 3.11 0.82 -0.05 0.00 -2.13 0.00 0.00 31.29 33.04 2kzn h VAL 46 CO -0.17 0.01 -1.99 -0.24 -1.23 0.00 0.00 177.57 173.95 2kzn n SER 47 N -5.14 2.61 0.00 4.19 2.88 -0.44 -4.94 113.62 112.78 2kzn n SER 47 Ca -0.03 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2kzn n SER 47 Cb 0.10 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 2.65 0.75 3.76 0.46 0.00 0.52 -5.05 105.19 108.28 2kzn n GLY 48 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.89 4.41 -0.03 1.61 1.02 -1.26 -4.75 119.74 119.85 2kzn s LYS 49 Ca 0.00 2.13 -0.30 0.00 0.02 0.00 0.00 55.97 57.82 2kzn s LYS 49 Cb 0.00 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 2kzn s LYS 49 CO 0.00 -0.13 1.47 -1.25 -0.92 0.00 0.00 175.35 174.53 2kzn s PRO 50 N -1.53 4.24 -0.10 -1.68 0.04 -1.26 -3.26 135.00 131.44 2kzn s PRO 50 Ca 0.49 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.53 2kzn s PRO 50 Cb -0.38 -3.72 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 2kzn s PRO 50 CO 0.49 -0.69 -0.11 1.28 0.04 0.00 0.00 177.00 178.02 2kzn n LEU 51 N 6.08 2.10 -4.16 -3.56 4.77 -0.60 -4.42 117.00 117.21 2kzn n LEU 51 Ca 0.15 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 2kzn n LEU 51 Cb 0.43 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2kzn n LEU 51 CO 0.60 0.49 -0.17 -0.36 -1.33 0.00 0.00 177.39 176.61 2kzn s PHE 52 N -2.19 1.01 0.09 -1.77 0.08 -0.68 -0.69 117.98 113.82 2kzn s PHE 52 Ca -0.14 -1.26 0.06 0.00 0.12 0.00 0.00 56.93 55.71 2kzn s PHE 52 Cb 0.04 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 2kzn s PHE 52 CO 0.21 -0.70 -0.15 0.99 -0.10 0.00 0.00 175.22 175.47 2kzn s THR 53 N -4.13 1.24 0.55 0.64 2.01 -1.26 -1.24 115.64 113.45 2kzn s THR 53 Ca 0.36 -1.43 0.23 0.00 0.31 0.00 0.00 61.69 61.15 2kzn s THR 53 Cb 0.06 -1.24 0.33 0.00 0.01 0.00 0.00 72.50 71.65 2kzn s THR 53 CO 0.11 -0.24 2.13 -1.28 -0.69 0.00 0.00 174.62 174.65 2kzn h SER 54 N 4.10 0.00 -0.27 3.53 0.87 -1.58 -0.17 113.55 120.03 2kzn h SER 54 Ca -0.41 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.21 2kzn h SER 54 Cb 1.19 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 2kzn h SER 54 CO 0.42 0.00 -0.18 0.50 -0.53 0.00 0.00 176.83 177.04 2kzn h LYS 55 N 0.00 -0.15 -0.51 2.24 3.64 -1.91 -3.22 116.57 116.66 2kzn h LYS 55 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2kzn h LYS 55 Cb 0.30 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2kzn h LYS 55 CO -0.00 -0.10 0.00 -0.40 -2.27 0.00 0.00 179.45 176.68 2kzn n ASP 56 N -5.34 4.36 -4.78 4.20 5.68 -0.65 -5.01 116.55 115.01 2kzn n ASP 56 Ca -0.00 -2.55 -0.34 0.00 -0.50 0.00 0.00 54.79 51.40 2kzn n ASP 56 Cb 0.25 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 2kzn n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2kzn s LYS 57 N -2.01 3.35 0.12 0.11 -2.85 -0.17 -4.43 119.74 113.87 2kzn s LYS 57 Ca 0.45 1.42 0.05 0.00 -1.00 0.00 0.00 55.97 56.89 2kzn s LYS 57 Cb 0.31 -2.02 -0.04 0.00 -2.06 0.00 0.00 37.83 34.02 2kzn s LYS 57 CO 0.19 -0.81 -0.12 0.12 0.10 0.00 0.00 175.35 174.83 2kzn s PHE 58 N -2.07 1.24 0.22 1.78 5.36 -1.09 -4.96 117.98 118.46 2kzn s PHE 58 Ca 0.68 -0.63 -0.30 0.00 -0.96 0.00 0.00 56.93 55.72 2kzn s PHE 58 Cb -0.20 -0.65 -0.10 0.00 -0.34 0.00 0.00 43.02 41.73 2kzn s PHE 58 CO 0.30 0.08 1.42 0.16 -1.46 0.00 0.00 175.22 175.72 2kzn s ASP 59 N -2.57 6.71 -0.88 6.13 -4.77 -1.26 -4.27 116.67 115.76 2kzn s ASP 59 Ca 0.09 2.57 -0.00 0.00 -3.30 0.00 0.00 52.55 51.91 2kzn s ASP 59 Cb -0.03 -2.61 0.26 0.00 -1.09 0.00 0.00 42.92 39.45 2kzn s ASP 59 CO 0.01 -0.67 1.04 -1.20 0.70 0.00 0.00 175.17 175.05 2kzn n SER 60 N 2.70 4.90 -0.81 2.11 7.64 -1.26 -4.56 113.62 124.34 2kzn n SER 60 Ca 0.08 -3.34 0.12 0.00 1.01 0.00 0.00 58.87 56.73 2kzn n SER 60 Cb 0.41 -1.01 0.29 0.00 -1.01 0.00 0.00 64.21 62.89 2kzn n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kzn n GLN 61 N 1.44 2.09 -0.44 1.43 10.64 -1.26 -4.42 117.38 126.86 2kzn n GLN 61 Ca 0.26 -1.61 0.03 0.00 -1.83 0.00 0.00 57.00 53.85 2kzn n GLN 61 Cb 0.37 -1.46 0.19 0.00 -0.86 0.00 0.00 30.24 28.48 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kzn n GLY 63 N 0.28 1.83 3.54 0.00 0.00 -1.26 -4.93 105.19 104.65 2kzn n GLY 63 Ca 0.14 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.18 2.52 -0.50 1.61 0.51 -1.26 -4.93 118.94 116.70 2kzn s TRP 64 Ca 0.00 -0.27 -0.46 0.00 -2.12 0.00 0.00 56.10 53.25 2kzn s TRP 64 Cb 0.00 -1.19 -0.20 0.00 -0.81 0.00 0.00 33.47 31.28 2kzn s TRP 64 CO 0.00 0.56 1.77 -2.30 -0.51 0.00 0.00 176.95 176.48 2kzn n PRO 65 N -0.19 0.00 -4.02 4.98 -0.02 -1.21 -4.65 135.00 129.88 2kzn n PRO 65 Ca -0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 2kzn n PRO 65 Cb 0.57 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 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 3.97 5.98 0.01 2.55 0.01 -1.25 -1.77 113.70 123.21 2kzn s SER 66 Ca 1.09 0.33 -0.02 0.00 1.31 0.00 0.00 55.95 58.66 2kzn s SER 66 Cb -1.49 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 62.83 2kzn s SER 66 CO 0.76 0.36 0.01 -0.36 0.41 0.00 0.00 173.24 174.43 2kzn s PHE 67 N -0.77 0.20 -0.13 2.43 0.08 -0.60 -2.67 117.98 116.52 2kzn s PHE 67 Ca 0.13 -0.41 0.18 0.00 0.12 0.00 0.00 56.93 56.95 2kzn s PHE 67 Cb -0.12 -0.15 -0.19 0.00 -0.57 0.00 0.00 43.02 41.99 2kzn s PHE 67 CO 0.03 -0.20 0.61 0.25 -0.10 0.00 0.00 175.22 175.80 2kzn n THR 68 N 1.64 1.02 -3.79 0.64 -2.24 -1.26 -1.44 114.28 108.85 2kzn n THR 68 Ca -0.23 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 2kzn n THR 68 Cb 0.55 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 2kzn n THR 68 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kzn s LYS 69 N -2.94 0.22 0.44 -0.78 2.20 -1.26 -4.17 119.74 113.44 2kzn s LYS 69 Ca -0.05 0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.91 2kzn s LYS 69 Cb 0.09 0.06 0.08 0.00 -1.51 0.00 0.00 37.83 36.55 2kzn s LYS 69 CO 0.83 -0.06 0.61 -0.35 -0.36 0.00 0.00 175.35 176.02 2kzn n PRO 70 N 3.25 0.44 -2.88 4.03 -0.04 -1.26 -4.88 135.00 133.66 2kzn n PRO 70 Ca -0.16 -1.99 -0.42 0.00 -0.04 0.00 0.00 63.50 60.89 2kzn n PRO 70 Cb 0.57 -0.30 -0.04 0.00 -0.04 0.00 0.00 33.50 33.69 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 -1.72 4.67 0.53 0.52 1.01 0.13 -4.95 121.20 121.38 2kzn s ILE 71 Ca 0.43 1.07 0.35 0.00 0.00 0.00 0.00 60.65 62.50 2kzn s ILE 71 Cb -0.03 -4.26 0.38 0.00 0.01 0.00 0.00 42.46 38.55 2kzn s ILE 71 CO 0.28 -0.46 2.23 -0.33 0.00 0.00 0.00 174.94 176.66 2kzn h GLU 72 N 8.43 0.00 0.01 2.79 4.39 -1.87 -2.88 114.58 125.44 2kzn h GLU 72 Ca -0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 2kzn h GLU 72 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2kzn h GLU 72 CO 0.94 0.03 -0.00 1.49 -1.16 0.00 0.00 179.01 180.31 2kzn h GLU 73 N 0.00 -0.01 -0.08 2.33 4.57 -1.92 -3.35 114.58 116.12 2kzn h GLU 73 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kzn h GLU 73 Cb 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2kzn h GLU 73 CO 0.00 0.29 0.00 -1.91 -1.18 0.00 0.00 179.01 176.21 2kzn n GLU 74 N -4.95 1.51 -4.42 1.92 4.07 -1.19 -4.93 120.64 112.65 2kzn n GLU 74 Ca -0.08 -1.29 -0.34 0.00 -0.06 0.00 0.00 57.16 55.39 2kzn n GLU 74 Cb 0.16 -1.09 -0.14 0.00 -0.06 0.00 0.00 31.44 30.31 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 -0.72 3.12 -0.06 6.31 1.01 -1.09 -4.58 120.40 124.39 2kzn s VAL 75 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2kzn s VAL 75 Cb 0.04 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 34.09 2kzn s VAL 75 CO 0.05 0.49 0.00 -0.70 0.00 0.00 0.00 175.10 174.95 2kzn s GLU 76 N 0.80 0.55 0.32 2.72 2.12 -1.26 -4.74 118.70 119.20 2kzn s GLU 76 Ca -0.04 0.11 -0.17 0.00 0.36 0.00 0.00 54.97 55.23 2kzn s GLU 76 Cb -0.15 -0.89 -0.09 0.00 0.26 0.00 0.00 34.13 33.26 2kzn s GLU 76 CO 0.01 -0.28 0.78 -1.83 -0.54 0.00 0.00 175.26 173.40 2kzn s GLU 77 N 1.84 4.12 -0.21 4.30 -1.05 -1.26 -1.05 118.70 125.39 2kzn s GLU 77 Ca 0.03 0.82 -0.04 0.00 -0.15 0.00 0.00 54.97 55.63 2kzn s GLU 77 Cb -0.12 -2.50 0.09 0.00 -0.44 0.00 0.00 34.13 31.16 2kzn s GLU 77 CO -0.04 0.18 0.22 0.15 0.95 0.00 0.00 175.26 176.72 2kzn s LYS 78 N -2.77 0.19 0.32 -4.83 -0.14 0.37 -4.92 119.74 107.97 2kzn s LYS 78 Ca 0.53 0.17 -0.28 0.00 -1.36 0.00 0.00 55.97 55.03 2kzn s LYS 78 Cb -0.12 -1.20 -0.09 0.00 -1.68 0.00 0.00 37.83 34.74 2kzn s LYS 78 CO 0.18 -0.68 1.12 -1.17 -0.76 0.00 0.00 175.35 174.04 2kzn s LEU 79 N 2.32 4.43 0.05 3.17 2.96 -1.26 -1.15 118.68 129.20 2kzn s LEU 79 Ca 0.07 2.29 0.06 0.00 -0.22 0.00 0.00 54.13 56.33 2kzn s LEU 79 Cb -0.16 -3.77 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 2kzn s LEU 79 CO -0.13 -0.30 -0.17 -0.62 -1.32 0.00 0.00 176.35 173.80 2kzn s ASP 80 N -0.98 2.01 0.00 3.68 2.15 -0.04 -4.95 116.67 118.54 2kzn s ASP 80 Ca 0.49 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2kzn s ASP 80 Cb -0.31 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 2kzn s ASP 80 CO 0.40 0.05 0.41 0.41 -0.17 0.00 0.00 175.17 176.27 2kzn n THR 81 N 1.67 0.00 0.17 1.71 -1.04 -1.25 -2.64 114.28 112.90 2kzn n THR 81 Ca -0.18 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.86 2kzn n THR 81 Cb 0.54 1.10 0.41 0.00 -1.82 0.00 0.00 70.33 70.56 2kzn n THR 81 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2kzn h SER 82 N 0.00 0.09 -0.21 8.00 0.02 -1.96 -0.91 113.55 118.58 2kzn h SER 82 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kzn h SER 82 Cb 0.93 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2kzn h SER 82 CO 0.00 0.33 0.00 1.57 -1.14 0.00 0.00 176.83 177.59 2kzn n HIS 83 N -4.22 0.28 -2.02 3.45 -0.00 -1.26 -4.88 115.22 106.57 2kzn n HIS 83 Ca -0.02 -0.14 -0.07 0.00 -0.00 0.00 0.00 57.72 57.49 2kzn n HIS 83 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.30 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 0.91 0.18 3.20 1.57 0.00 -0.35 -5.04 105.19 105.66 2kzn n GLY 84 Ca 0.09 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.15 0.36 -0.39 1.61 -2.45 -1.25 -5.10 119.30 107.94 2kzn s MET 85 Ca 0.00 0.44 -0.29 0.00 -1.25 0.00 0.00 55.69 54.59 2kzn s MET 85 Cb 0.00 0.17 0.01 0.00 1.25 0.00 0.00 34.83 36.26 2kzn s MET 85 CO 0.00 -0.05 1.28 0.42 1.05 0.00 0.00 175.02 177.72 2kzn s ILE 86 N 0.20 4.11 -0.06 10.11 -1.09 -1.26 -3.82 121.20 129.40 2kzn s ILE 86 Ca -0.00 1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 59.55 2kzn s ILE 86 Cb -0.02 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 2kzn s ILE 86 CO 0.00 -0.71 0.15 -0.60 -1.23 0.00 0.00 174.94 172.54 2kzn s ARG 87 N 4.47 0.16 -0.08 2.79 3.52 -1.08 -4.93 118.95 123.79 2kzn s ARG 87 Ca 0.55 0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 56.36 2kzn s ARG 87 Cb -0.13 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 2kzn s ARG 87 CO 0.28 -0.03 -0.06 0.99 -0.81 0.00 0.00 175.30 175.67 2kzn s THR 88 N 0.17 3.81 0.00 4.11 2.01 -1.21 -0.86 115.64 123.67 2kzn s THR 88 Ca -0.01 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.62 2kzn s THR 88 Cb -0.02 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 2kzn s THR 88 CO -0.00 0.59 -0.19 -1.83 -0.69 0.00 0.00 174.62 172.49 2kzn s GLU 89 N -0.66 1.50 -0.18 4.92 -1.05 -0.30 -0.97 118.70 121.96 2kzn s GLU 89 Ca 0.10 -0.75 -0.16 0.00 -0.15 0.00 0.00 54.97 54.01 2kzn s GLU 89 Cb -0.11 -1.49 -0.04 0.00 -0.44 0.00 0.00 34.13 32.04 2kzn s GLU 89 CO 0.02 0.40 0.40 0.14 0.95 0.00 0.00 175.26 177.17 2kzn s VAL 90 N -0.55 5.21 -0.30 1.83 -7.23 -0.79 -0.48 120.40 118.09 2kzn s VAL 90 Ca 0.07 0.74 -0.07 0.00 -1.81 0.00 0.00 61.98 60.91 2kzn s VAL 90 Cb -0.08 -3.73 0.16 0.00 0.56 0.00 0.00 36.38 33.29 2kzn s VAL 90 CO -0.00 0.28 0.68 0.00 -0.31 0.00 0.00 175.10 175.75 2kzn s ARG 91 N 1.07 0.53 0.10 4.82 1.70 -0.21 -2.79 118.95 124.17 2kzn s ARG 91 Ca 0.20 1.16 -0.01 0.00 -0.47 0.00 0.00 55.73 56.61 2kzn s ARG 91 Cb -0.15 0.68 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 2kzn s ARG 91 CO 0.08 -0.36 0.14 0.45 -1.08 0.00 0.00 175.30 174.52 2kzn n SER 92 N 5.40 0.07 0.10 -2.89 2.88 -1.23 -4.35 113.62 113.61 2kzn n SER 92 Ca -0.07 -1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 56.26 2kzn n SER 92 Cb 0.50 -0.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.29 0.19 -1.46 3.08 -1.95 -2.62 114.38 111.32 2kzn h ARG 93 Ca -0.04 0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 2kzn h ARG 93 Cb 0.14 0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.27 2kzn h ARG 93 CO 0.04 0.08 -1.40 1.15 -1.07 0.00 0.00 179.97 178.76 2kzn h THR 94 N -0.78 1.18 -0.21 2.04 2.02 -1.96 -3.35 112.91 111.86 2kzn h THR 94 Ca -0.03 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2kzn h THR 94 Cb 0.51 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 2kzn h THR 94 CO 0.05 0.78 0.00 0.00 0.37 0.00 0.00 175.52 176.72 2kzn n ALA 95 N -2.80 2.81 0.08 6.16 0.00 -1.26 -4.67 120.51 120.82 2kzn n ALA 95 Ca -0.20 -0.57 0.15 0.00 0.00 0.00 0.00 53.44 52.82 2kzn n ALA 95 Cb 1.00 -1.02 0.32 0.00 0.00 0.00 0.00 19.45 19.74 2kzn n ALA 95 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kzn h ASP 96 N 1.36 0.00 0.00 0.00 3.58 -1.60 -1.36 116.42 118.40 2kzn h ASP 96 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kzn h ASP 96 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2kzn h ASP 96 CO 0.11 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 174.93 2kzn n SER 97 N -2.95 0.42 -0.09 2.28 3.41 -1.26 -4.64 113.62 110.79 2kzn n SER 97 Ca 0.11 -1.04 -0.22 0.00 -0.26 0.00 0.00 58.87 57.45 2kzn n SER 97 Cb 1.15 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.98 2kzn n SER 97 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2kzn n HIS 98 N -0.02 1.00 0.00 7.33 8.25 -0.52 -4.74 115.22 126.52 2kzn n HIS 98 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2kzn n HIS 98 Cb 0.18 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.19 2kzn n HIS 98 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kzn n LEU 99 N -4.30 0.00 0.00 2.41 4.77 -1.19 -4.75 117.00 113.94 2kzn n LEU 99 Ca -0.33 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2kzn n LEU 99 Cb 0.74 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2kzn n LEU 99 CO 0.21 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2kzn n GLY 100 N -0.64 -0.23 3.33 -0.72 0.00 -1.12 -2.88 105.19 102.92 2kzn n GLY 100 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.63 2kzn n GLY 100 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kzn s HIS 101 N -3.09 1.54 0.03 1.61 -3.43 -1.20 -1.89 115.29 108.86 2kzn s HIS 101 Ca 0.00 -0.92 0.02 0.00 -0.80 0.00 0.00 55.06 53.36 2kzn s HIS 101 Cb 0.00 -0.89 -0.02 0.00 -1.43 0.00 0.00 32.58 30.24 2kzn s HIS 101 CO 0.00 -0.04 -0.06 0.14 -2.00 0.00 0.00 174.74 172.78 2kzn s VAL 102 N -3.42 0.39 -0.08 -5.38 -7.23 -0.14 -2.27 120.40 102.27 2kzn s VAL 102 Ca 0.28 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.55 2kzn s VAL 102 Cb 0.06 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2kzn s VAL 102 CO 0.08 -0.29 0.20 0.12 -0.31 0.00 0.00 175.10 174.90 2kzn s PHE 103 N -1.07 3.62 -2.00 2.82 5.36 -1.04 -3.36 117.98 122.31 2kzn s PHE 103 Ca -0.08 0.60 0.02 0.00 -0.96 0.00 0.00 56.93 56.51 2kzn s PHE 103 Cb -0.08 -1.99 0.13 0.00 -0.34 0.00 0.00 43.02 40.74 2kzn s PHE 103 CO -0.00 0.71 1.07 0.09 -1.46 0.00 0.00 175.22 175.63 2kzn n ASN 104 N 1.81 0.00 -0.80 6.13 4.13 -1.26 -2.57 115.26 122.71 2kzn n ASN 104 Ca -0.18 -1.90 0.04 0.00 1.68 0.00 0.00 54.58 54.22 2kzn n ASN 104 Cb 0.54 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 38.96 2kzn n ASN 104 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kzn n ASP 105 N -0.53 1.83 -4.57 6.41 9.92 -1.26 -4.89 116.55 123.45 2kzn n ASP 105 Ca 0.02 -3.68 -0.26 0.00 -0.53 0.00 0.00 54.79 50.34 2kzn n ASP 105 Cb 0.01 -0.49 -0.09 0.00 -0.64 0.00 0.00 41.12 39.90 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kzn s GLY 106 N -3.13 1.72 -0.08 0.44 0.00 -1.21 -4.99 107.32 100.07 2kzn s GLY 106 Ca 0.38 -1.52 -0.25 0.00 0.00 0.00 0.00 44.72 43.33 2kzn s GLY 106 CO -0.07 -1.55 0.80 2.56 0.00 0.00 0.00 173.10 174.83 2kzn s PRO 107 N -2.98 4.43 0.05 2.90 0.04 -1.26 -3.43 135.00 134.74 2kzn s PRO 107 Ca 0.26 1.04 -0.06 0.00 0.04 0.00 0.00 61.00 62.27 2kzn s PRO 107 Cb -0.08 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 30.99 2kzn s PRO 107 CO 0.16 -0.07 0.31 0.41 0.04 0.00 0.00 177.00 177.84 2kzn n GLY 108 N 3.16 1.03 0.29 0.56 0.00 -1.25 -4.56 105.19 104.42 2kzn n GLY 108 Ca 0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 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 0.74 0.00 1.61 0.11 -1.88 -3.02 132.00 129.55 2kzn h PRO 109 Ca -0.08 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2kzn h PRO 109 Cb 0.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2kzn h PRO 109 CO 0.10 0.71 -1.65 0.27 -0.21 0.00 0.00 178.00 177.23 2kzn n ASN 110 N -4.26 0.29 0.00 -2.05 6.94 -1.26 -5.00 115.26 109.92 2kzn n ASN 110 Ca 0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 2kzn n ASN 110 Cb 0.25 1.53 0.00 0.00 -2.36 0.00 0.00 39.78 39.20 2kzn n ASN 110 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kzn n GLY 111 N 1.28 1.22 3.61 4.83 0.00 -1.14 -5.10 105.19 109.87 2kzn n GLY 111 Ca -0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 3.02 -0.09 0.99 1.43 -1.22 -3.86 118.68 118.96 2kzn s LEU 112 Ca 0.00 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 2kzn s LEU 112 Cb 0.00 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2kzn s LEU 112 CO 0.00 -0.04 -0.12 0.00 0.23 0.00 0.00 176.35 176.42 2kzn s ARG 113 N -3.65 1.79 -0.62 1.70 1.70 -1.06 -3.83 118.95 114.97 2kzn s ARG 113 Ca 0.32 -0.41 -0.23 0.00 -0.47 0.00 0.00 55.73 54.94 2kzn s ARG 113 Cb -0.05 -1.57 0.06 0.00 -0.57 0.00 0.00 34.95 32.82 2kzn s ARG 113 CO 0.19 -0.07 0.93 0.71 -1.08 0.00 0.00 175.30 175.97 2kzn s TYR 114 N 1.01 2.73 -0.58 5.89 1.51 -0.52 -2.50 117.35 124.90 2kzn s TYR 114 Ca -0.08 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 2kzn s TYR 114 Cb -0.15 -4.18 0.15 0.00 -0.11 0.00 0.00 41.96 37.67 2kzn s TYR 114 CO -0.01 -1.53 0.45 0.00 -1.11 0.00 0.00 175.55 173.35 2kzn s ILE 116 N 0.77 3.78 -0.15 0.00 -1.09 -0.73 -3.25 121.20 120.54 2kzn s ILE 116 Ca 0.11 -0.45 -0.34 0.00 -2.23 0.00 0.00 60.65 57.74 2kzn s ILE 116 Cb -0.22 -2.55 -0.11 0.00 -1.58 0.00 0.00 42.46 38.00 2kzn s ILE 116 CO -0.03 0.60 1.97 0.59 -1.23 0.00 0.00 174.94 176.84 2kzn n ASN 117 N 2.25 3.24 -0.00 3.58 3.02 -1.14 -3.32 115.26 122.89 2kzn n ASN 117 Ca -0.18 0.79 0.04 0.00 -0.03 0.00 0.00 54.58 55.20 2kzn n ASN 117 Cb 0.53 -1.38 0.42 0.00 -0.61 0.00 0.00 39.78 38.75 2kzn n ASN 117 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2kzn h SER 118 N 10.45 0.47 1.36 6.41 0.87 -1.93 -1.13 113.55 130.05 2kzn h SER 118 Ca -0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2kzn h SER 118 Cb 1.28 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kzn h SER 118 CO 0.96 0.34 0.00 0.00 -0.53 0.00 0.00 176.83 177.60 2kzn h ALA 119 N 1.74 1.00 0.00 6.23 0.00 -1.93 -3.25 119.26 123.05 2kzn h ALA 119 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kzn h ALA 119 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kzn h ALA 119 CO -0.03 0.00 -1.12 0.00 0.00 0.00 0.00 179.25 178.10 2kzn n ALA 120 N -1.89 2.60 -2.79 0.00 0.00 -0.45 -4.75 120.51 113.24 2kzn n ALA 120 Ca 0.04 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 2kzn n ALA 120 Cb 0.39 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 -5.17 4.33 -0.09 0.00 1.43 -1.10 -1.65 118.68 116.43 2kzn s LEU 121 Ca -0.01 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2kzn s LEU 121 Cb 0.10 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2kzn s LEU 121 CO 0.80 0.16 -0.13 -0.60 0.23 0.00 0.00 176.35 176.81 2kzn s ARG 122 N -2.31 1.91 -0.42 1.70 3.52 -0.47 -4.82 118.95 118.07 2kzn s ARG 122 Ca 0.34 -0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 2kzn s ARG 122 Cb -0.13 -1.64 0.01 0.00 -1.56 0.00 0.00 34.95 31.63 2kzn s ARG 122 CO 0.23 -0.05 1.37 -0.06 -0.81 0.00 0.00 175.30 175.98 2kzn s PHE 123 N 0.94 2.46 -0.36 5.12 0.40 -1.26 -2.00 117.98 123.27 2kzn s PHE 123 Ca -0.09 0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 56.90 2kzn s PHE 123 Cb -0.15 -4.32 0.09 0.00 0.51 0.00 0.00 43.02 39.15 2kzn s PHE 123 CO 0.00 -1.89 0.12 0.08 0.70 0.00 0.00 175.22 174.24 2kzn s VAL 124 N 5.28 3.16 0.80 -0.44 1.01 -0.27 -4.68 120.40 125.27 2kzn s VAL 124 Ca 0.59 -1.79 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 2kzn s VAL 124 Cb -0.13 -3.04 0.08 0.00 0.00 0.00 0.00 36.38 33.29 2kzn s VAL 124 CO 0.32 -0.46 1.16 -2.16 0.00 0.00 0.00 175.10 173.96 2kzn s PRO 125 N 1.18 1.76 0.60 2.72 0.04 -1.25 -1.59 135.00 138.46 2kzn s PRO 125 Ca 0.03 1.56 0.28 0.00 0.04 0.00 0.00 61.00 62.92 2kzn s PRO 125 Cb -0.21 -1.81 1.35 0.00 0.04 0.00 0.00 34.50 33.87 2kzn s PRO 125 CO -0.03 -2.08 1.76 1.57 0.04 0.00 0.00 177.00 178.26 2kzn h LYS 126 N -1.03 0.00 -0.13 4.56 2.10 -1.95 0.70 116.57 120.83 2kzn h LYS 126 Ca -0.45 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 57.97 2kzn h LYS 126 Cb 1.27 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.61 2kzn h LYS 126 CO 0.47 0.00 -0.81 1.25 -2.00 0.00 0.00 179.45 178.36 2kzn h HIS 127 N 0.00 1.06 0.00 0.07 2.76 -1.94 -3.29 115.15 113.80 2kzn h HIS 127 Ca 0.25 -0.48 -0.10 0.00 -2.20 0.00 0.00 60.37 57.83 2kzn h HIS 127 Cb 1.51 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.30 2kzn h HIS 127 CO 0.00 1.32 -0.87 0.87 -1.30 0.00 0.00 177.93 177.95 2kzn h LYS 128 N 0.50 0.00 -0.30 5.26 1.57 -1.28 -3.28 116.57 119.04 2kzn h LYS 128 Ca -0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2kzn h LYS 128 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 2kzn h LYS 128 CO 0.17 0.29 0.10 -0.07 -0.57 0.00 0.00 179.45 179.36 2kzn h LEU 129 N 0.00 0.38 -0.62 2.94 3.38 -1.20 -1.47 115.31 118.73 2kzn h LEU 129 Ca -0.06 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2kzn h LEU 129 Cb 1.36 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 2kzn h LEU 129 CO 0.04 0.37 0.20 0.50 0.09 0.00 0.00 178.44 179.64 2kzn h LYS 130 N 0.42 0.35 -0.76 1.13 3.64 -1.63 0.32 116.57 120.05 2kzn h LYS 130 Ca 0.10 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2kzn h LYS 130 Cb 0.13 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2kzn h LYS 130 CO -0.01 0.23 0.27 1.49 -2.27 0.00 0.00 179.45 179.16 2kzn h GLU 131 N 0.36 1.15 0.00 1.90 4.57 -1.47 -2.78 114.58 118.31 2kzn h GLU 131 Ca 0.32 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2kzn h GLU 131 Cb 0.44 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2kzn h GLU 131 CO -0.35 0.96 0.00 0.93 -1.18 0.00 0.00 179.01 179.37 2kzn h GLU 132 N 1.11 0.00 0.00 1.92 4.39 -0.52 -3.46 114.58 118.02 2kzn h GLU 132 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2kzn h GLU 132 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2kzn h GLU 132 CO -0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.25 2kzn n GLY 133 N 0.30 0.97 0.00 -3.84 0.00 -0.29 -5.02 105.19 97.31 2kzn n GLY 133 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -0.27 1.61 4.11 0.97 -3.54 117.16 120.04 2kzn n TYR 134 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2kzn n TYR 134 Cb 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 39.34 39.37 2kzn n TYR 134 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.86 177.91 2kzn h GLU 135 N 0.00 -0.05 0.00 -3.48 4.11 -1.93 -0.61 114.58 112.63 2kzn h GLU 135 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 2kzn h GLU 135 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2kzn h GLU 135 CO 0.00 -0.03 -1.50 0.77 0.07 0.00 0.00 179.01 178.32 2kzn h SER 136 N -0.05 0.00 0.15 3.06 0.02 -1.98 -3.32 113.55 111.44 2kzn h SER 136 Ca 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2kzn h SER 136 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2kzn h SER 136 CO -0.80 0.98 -0.07 1.88 -1.14 0.00 0.00 176.83 177.68 2kzn h TYR 137 N 0.00 -0.19 0.00 3.45 -1.99 -1.44 -3.01 116.97 113.78 2kzn h TYR 137 Ca -0.21 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.52 2kzn h TYR 137 Cb 1.93 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.73 2kzn h TYR 137 CO 0.00 0.21 0.00 -0.07 -0.00 0.00 0.00 178.16 178.30 2kzn h LEU 138 N -0.67 0.00 -0.81 3.88 4.07 -1.36 -1.17 115.31 119.24 2kzn h LEU 138 Ca -0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 2kzn h LEU 138 Cb 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 2kzn h LEU 138 CO 0.03 0.00 -0.51 -0.74 -1.08 0.00 0.00 178.44 176.14 2kzn h HIS 139 N 0.00 0.25 0.06 1.13 2.76 -1.63 0.25 115.15 117.97 2kzn h HIS 139 Ca 0.00 -0.08 -0.34 0.00 -2.20 0.00 0.00 60.37 57.74 2kzn h HIS 139 Cb 0.55 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 2kzn h HIS 139 CO 0.00 0.68 -2.00 1.28 -1.30 0.00 0.00 177.93 176.59 2kzn n LEU 140 N -3.94 1.88 -0.07 0.26 4.77 -0.96 -3.08 117.00 115.86 2kzn n LEU 140 Ca -0.02 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2kzn n LEU 140 Cb 0.55 -0.53 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 2kzn n LEU 140 CO 0.43 0.68 0.67 0.15 -1.33 0.00 0.00 177.39 177.99 2kzn h PHE 141 N 0.03 0.85 -2.95 -1.77 3.57 -1.32 -3.41 116.94 111.95 2kzn h PHE 141 Ca -0.41 -0.21 -0.50 0.00 3.53 0.00 0.00 57.97 60.39 2kzn h PHE 141 Cb 2.03 -0.20 -0.40 0.00 2.79 0.00 0.00 35.95 40.17 2kzn h PHE 141 CO 0.04 0.93 -0.76 1.21 -2.23 0.00 0.00 178.31 177.49 2kzn s ASN 142 N -6.78 2.97 -0.20 0.41 2.47 0.07 -4.91 114.94 108.98 2kzn s ASN 142 Ca -0.09 -0.97 -0.29 0.00 0.42 0.00 0.00 52.86 51.94 2kzn s ASN 142 Cb 0.13 -0.33 -0.05 0.00 -1.45 0.00 0.00 41.25 39.55 2kzn s ASN 142 CO 0.84 -0.39 1.99 -0.75 -3.72 0.00 0.00 177.10 175.07 2kzn s LYS 143 N 2.09 3.45 0.39 0.43 2.36 -1.18 -3.91 119.74 123.37 2kzn s LYS 143 Ca 0.05 1.94 -0.27 0.00 -2.55 0.00 0.00 55.97 55.15 2kzn s LYS 143 Cb -0.16 -4.25 -0.09 0.00 -1.05 0.00 0.00 37.83 32.28 2kzn s LYS 143 CO -0.22 -1.73 1.32 -0.51 1.55 0.00 0.00 175.35 175.76 2kzn s LEU 144 N 6.87 4.26 -0.58 5.43 2.01 -1.26 -3.85 118.68 131.55 2kzn s LEU 144 Ca 0.89 2.71 -0.08 0.00 0.01 0.00 0.00 54.13 57.66 2kzn s LEU 144 Cb -0.31 -3.84 0.01 0.00 0.01 0.00 0.00 46.19 42.06 2kzn s LEU 144 CO 0.35 -0.81 0.65 -0.62 1.01 0.00 0.00 176.35 176.93 2kzn n GLU 145 N 0.26 -1.86 -4.26 1.70 1.02 -1.26 -5.08 120.64 111.16 2kzn n GLU 145 Ca 0.03 1.82 -0.20 0.00 -0.02 0.00 0.00 57.16 58.79 2kzn n GLU 145 Cb 0.43 -5.72 -0.13 0.00 -0.02 0.00 0.00 31.44 26.00 2kzn n GLU 145 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kzn s HIS 146 N -2.80 1.32 0.00 -0.32 -3.43 -1.25 -5.29 115.29 103.52 2kzn s HIS 146 Ca 0.13 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 2kzn s HIS 146 Cb -0.04 -0.75 0.00 0.00 -1.43 0.00 0.00 32.58 30.36 2kzn s HIS 146 CO 0.76 0.07 0.00 1.58 -2.00 0.00 0.00 174.74 175.15