#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzn n ALA 2 N 0.00 0.95 -1.53 -5.12 0.00 -1.26 -4.80 120.51 108.76 2kzn n ALA 2 Ca 0.00 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2kzn n ALA 2 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 16.99 2kzn n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kzn n TYR 3 N 5.11 1.61 -1.78 0.00 4.01 -1.26 -4.96 117.16 119.89 2kzn n TYR 3 Ca 0.20 0.10 -0.33 0.00 -0.16 0.00 0.00 57.90 57.71 2kzn n TYR 3 Cb 0.28 -2.62 0.04 0.00 -0.31 0.00 0.00 39.34 36.73 2kzn n TYR 3 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2kzn s ASN 4 N 9.12 5.22 0.43 7.72 3.84 -1.26 -4.88 114.94 135.14 2kzn s ASN 4 Ca 1.05 1.94 0.13 0.00 0.21 0.00 0.00 52.86 56.19 2kzn s ASN 4 Cb -0.52 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 38.65 2kzn s ASN 4 CO 0.38 -1.55 1.98 0.11 -2.79 0.00 0.00 177.10 175.23 2kzn h LYS 5 N 0.02 0.42 0.05 0.43 1.57 -1.98 0.41 116.57 117.49 2kzn h LYS 5 Ca -0.46 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2kzn h LYS 5 Cb 1.24 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2kzn h LYS 5 CO 0.55 0.28 -0.02 0.93 -0.57 0.00 0.00 179.45 180.61 2kzn h GLU 6 N 0.43 -0.06 -0.75 3.15 5.08 -1.99 -0.66 114.58 119.78 2kzn h GLU 6 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2kzn h GLU 6 Cb 0.49 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2kzn h GLU 6 CO -0.08 0.08 0.36 0.93 -1.00 0.00 0.00 179.01 179.30 2kzn h GLU 7 N -0.19 1.08 0.59 2.33 5.08 -1.80 -2.52 114.58 119.16 2kzn h GLU 7 Ca -0.01 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2kzn h GLU 7 Cb 0.17 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2kzn h GLU 7 CO 0.01 0.84 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.35 2kzn h LYS 8 N 1.07 -0.77 -0.95 2.33 1.63 -0.85 -3.02 116.57 116.02 2kzn h LYS 8 Ca 0.26 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.20 2kzn h LYS 8 Cb 0.12 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 2kzn h LYS 8 CO -0.03 -0.51 0.61 0.82 -3.45 0.00 0.00 179.45 176.88 2kzn h ILE 9 N -1.12 1.01 0.15 2.00 1.08 -1.15 0.78 117.51 120.26 2kzn h ILE 9 Ca -0.08 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 2kzn h ILE 9 Cb 0.61 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2kzn h ILE 9 CO 0.13 0.19 -0.07 0.50 -0.69 0.00 0.00 178.15 178.21 2kzn h LYS 10 N 1.01 -0.20 0.65 2.37 1.63 -1.54 -1.76 116.57 118.75 2kzn h LYS 10 Ca 0.43 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.21 2kzn h LYS 10 Cb 0.32 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2kzn h LYS 10 CO -0.19 0.13 -0.31 0.77 -3.45 0.00 0.00 179.45 176.40 2kzn h SER 11 N -0.53 -0.74 -0.64 4.20 0.02 -1.34 -3.34 113.55 111.18 2kzn h SER 11 Ca -0.02 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2kzn h SER 11 Cb 0.41 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.06 2kzn h SER 11 CO 0.03 -0.36 0.18 0.25 -1.14 0.00 0.00 176.83 175.79 2kzn h LEU 12 N -1.20 0.09 0.00 5.07 5.85 -0.96 -2.77 115.31 121.38 2kzn h LEU 12 Ca -0.09 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kzn h LEU 12 Cb 0.67 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2kzn h LEU 12 CO 0.15 0.04 0.00 0.59 -0.34 0.00 0.00 178.44 178.88 2kzn n ASN 13 N -5.09 0.00 -0.18 1.25 5.03 -0.66 -1.65 115.26 113.97 2kzn n ASN 13 Ca 0.10 -1.74 -0.07 0.00 0.87 0.00 0.00 54.58 53.74 2kzn n ASN 13 Cb 0.34 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.12 2kzn n ASN 13 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2kzn h ARG 14 N 0.00 0.71 0.00 3.52 9.65 -1.60 -2.85 114.38 123.81 2kzn h ARG 14 Ca 0.00 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 2kzn h ARG 14 Cb 0.00 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 2kzn h ARG 14 CO 0.00 0.54 -0.26 0.52 2.80 0.00 0.00 179.97 183.57 2kzn h MET 15 N 0.69 0.00 -0.94 0.20 2.86 -1.53 -3.10 114.93 113.11 2kzn h MET 15 Ca 0.18 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.98 2kzn h MET 15 Cb 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 2kzn h MET 15 CO -0.03 0.61 0.60 1.96 1.06 0.00 0.00 176.91 181.11 2kzn h GLN 16 N -1.00 0.70 0.10 1.72 1.08 -1.67 -0.37 115.11 115.67 2kzn h GLN 16 Ca -0.06 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2kzn h GLN 16 Cb 0.72 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2kzn h GLN 16 CO -0.04 0.47 -0.05 -0.92 -0.95 0.00 0.00 178.83 177.34 2kzn h TYR 17 N 0.73 -0.12 -0.28 2.96 3.20 -1.66 -3.28 116.97 118.52 2kzn h TYR 17 Ca 0.49 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.29 2kzn h TYR 17 Cb 0.78 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2kzn h TYR 17 CO -0.00 0.36 -0.08 1.49 -1.64 0.00 0.00 178.16 178.29 2kzn h GLU 18 N -0.92 0.54 0.31 1.82 4.81 -1.40 -1.53 114.58 118.22 2kzn h GLU 18 Ca -0.01 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2kzn h GLU 18 Cb 0.54 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2kzn h GLU 18 CO 0.02 0.75 -0.15 0.28 -0.73 0.00 0.00 179.01 179.19 2kzn h VAL 19 N 0.29 0.71 0.00 0.32 2.07 -1.25 -1.28 116.25 117.11 2kzn h VAL 19 Ca 0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2kzn h VAL 19 Cb 0.56 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2kzn h VAL 19 CO 0.03 0.03 -0.05 0.74 0.02 0.00 0.00 177.57 178.34 2kzn h THR 20 N -0.49 0.20 -0.02 2.57 2.02 -1.61 0.21 112.91 115.79 2kzn h THR 20 Ca -0.04 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2kzn h THR 20 Cb 0.37 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2kzn h THR 20 CO 0.07 0.05 -0.09 -0.61 0.37 0.00 0.00 175.52 175.31 2kzn h GLN 21 N 0.00 0.09 -0.01 6.66 4.15 -0.47 -3.37 115.11 122.16 2kzn h GLN 21 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2kzn h GLN 21 Cb 0.32 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2kzn h GLN 21 CO 0.01 0.74 -0.32 0.27 -1.93 0.00 0.00 178.83 177.60 2kzn n ASN 22 N -4.68 1.25 -3.27 -0.69 6.94 -0.56 -4.99 115.26 109.26 2kzn n ASN 22 Ca -0.09 -1.12 -0.16 0.00 -0.02 0.00 0.00 54.58 53.19 2kzn n ASN 22 Cb 0.38 0.56 0.08 0.00 -2.36 0.00 0.00 39.78 38.44 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kzn n ASN 23 N -0.39 -2.82 -4.82 0.53 5.03 0.67 -5.04 115.26 108.42 2kzn n ASN 23 Ca 0.05 -0.60 -0.25 0.00 0.87 0.00 0.00 54.58 54.64 2kzn n ASN 23 Cb 0.25 -4.89 0.08 0.00 -1.02 0.00 0.00 39.78 34.21 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 -4.12 1.73 -0.05 7.41 0.00 -0.79 -5.04 107.32 106.45 2kzn s GLY 24 Ca 0.08 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2kzn s GLY 24 CO 0.69 -0.67 -0.08 -0.51 0.00 0.00 0.00 173.10 172.53 2kzn s THR 25 N -3.24 0.78 0.28 0.90 -4.23 -1.26 -4.87 115.64 104.00 2kzn s THR 25 Ca 0.62 -0.29 -0.19 0.00 -1.18 0.00 0.00 61.69 60.65 2kzn s THR 25 Cb -0.09 -0.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.92 2kzn s THR 25 CO 0.45 0.27 0.77 -1.61 -0.54 0.00 0.00 174.62 173.95 2kzn s GLU 26 N 0.64 4.20 0.90 3.99 2.02 -1.26 -5.06 118.70 124.13 2kzn s GLU 26 Ca -0.10 0.87 -0.12 0.00 0.02 0.00 0.00 54.97 55.64 2kzn s GLU 26 Cb -0.13 -2.68 0.09 0.00 0.10 0.00 0.00 34.13 31.51 2kzn s GLU 26 CO 0.01 0.28 0.87 -2.30 0.02 0.00 0.00 175.26 174.14 2kzn n PRO 27 N 0.26 -0.25 -0.89 0.39 -0.02 -1.26 -4.85 135.00 128.38 2kzn n PRO 27 Ca 0.01 -0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 2kzn n PRO 27 Cb 0.52 -2.18 0.11 0.00 -0.02 0.00 0.00 33.50 31.93 2kzn n PRO 27 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kzn n PRO 28 N -3.01 -0.17 -3.22 0.52 -0.02 -1.26 -2.84 135.00 125.00 2kzn n PRO 28 Ca 0.10 -0.01 -0.21 0.00 -2.02 0.00 0.00 63.50 61.37 2kzn n PRO 28 Cb 0.52 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.17 2kzn n PRO 28 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2kzn n PHE 29 N -3.34 -1.73 -0.01 6.00 1.16 -1.26 -4.90 117.46 113.38 2kzn n PHE 29 Ca 0.07 0.38 -0.09 0.00 -1.87 0.00 0.00 57.45 55.94 2kzn n PHE 29 Cb 0.53 -2.76 -0.03 0.00 -1.61 0.00 0.00 39.48 35.61 2kzn n PHE 29 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 2kzn h GLN 30 N -0.77 -0.18 -5.44 3.97 4.15 -1.87 -3.44 115.11 111.53 2kzn h GLN 30 Ca -0.39 0.01 -0.58 0.00 0.77 0.00 0.00 58.65 58.46 2kzn h GLN 30 Cb 1.26 0.04 -0.13 0.00 0.21 0.00 0.00 27.48 28.86 2kzn h GLN 30 CO 0.48 -0.12 -0.59 -0.80 -1.93 0.00 0.00 178.83 175.88 2kzn s ASN 31 N -5.06 3.39 0.21 -0.69 0.02 -1.26 -5.05 114.94 106.50 2kzn s ASN 31 Ca -0.14 -1.42 0.23 0.00 -1.02 0.00 0.00 52.86 50.50 2kzn s ASN 31 Cb 0.10 -0.15 0.08 0.00 0.02 0.00 0.00 41.25 41.31 2kzn s ASN 31 CO 0.68 -0.57 1.13 -0.08 0.02 0.00 0.00 177.10 178.28 2kzn h GLU 32 N 1.83 0.00 0.00 -0.60 4.57 -2.04 -3.42 114.58 114.92 2kzn h GLU 32 Ca -0.43 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.58 2kzn h GLU 32 Cb 1.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 2kzn h GLU 32 CO 0.75 0.00 -1.66 0.66 -1.18 0.00 0.00 179.01 177.58 2kzn n TYR 33 N -2.61 0.00 0.64 0.92 4.01 -1.26 -4.72 117.16 114.13 2kzn n TYR 33 Ca 0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.84 2kzn n TYR 33 Cb 0.53 -0.47 0.41 0.00 -0.31 0.00 0.00 39.34 39.49 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 -2.35 0.04 0.04 -0.72 -0.00 -1.26 -1.80 117.44 111.40 2kzn n TRP 34 Ca -0.15 0.01 -0.03 0.00 -0.00 0.00 0.00 57.50 57.33 2kzn n TRP 34 Cb 0.80 -0.52 -0.08 0.00 -0.00 0.00 0.00 31.31 31.50 2kzn n TRP 34 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 177.69 178.07 2kzn h ASP 35 N 0.00 0.00 -2.45 -0.67 2.03 -1.90 -3.43 116.42 110.01 2kzn h ASP 35 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 2kzn h ASP 35 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2kzn h ASP 35 CO 0.00 0.75 1.21 -1.00 -1.03 0.00 0.00 179.24 179.17 2kzn s HIS 36 N -2.81 1.59 -2.26 4.15 3.76 -0.74 -4.83 115.29 114.15 2kzn s HIS 36 Ca -0.01 0.01 0.26 0.00 -0.15 0.00 0.00 55.06 55.16 2kzn s HIS 36 Cb 0.09 -4.07 1.21 0.00 1.11 0.00 0.00 32.58 30.91 2kzn s HIS 36 CO 0.80 -4.49 1.82 1.63 -0.85 0.00 0.00 174.74 173.65 2kzn n LYS 37 N 7.60 1.42 -1.51 1.40 5.02 -1.26 -4.97 118.16 125.85 2kzn n LYS 37 Ca 0.20 -0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 55.50 2kzn n LYS 37 Cb 0.43 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 34.06 2kzn n LYS 37 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kzn n GLU 38 N -0.22 0.69 -1.67 1.97 1.02 -1.26 -4.40 120.64 116.76 2kzn n GLU 38 Ca 0.19 0.28 -0.45 0.00 -0.02 0.00 0.00 57.16 57.16 2kzn n GLU 38 Cb 0.25 -2.08 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 2kzn n GLU 38 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kzn n GLU 39 N -1.05 2.15 0.00 3.49 4.71 -1.26 -4.09 120.64 124.60 2kzn n GLU 39 Ca 0.13 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 58.05 2kzn n GLU 39 Cb 0.48 -2.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 2kzn n GLU 39 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kzn n GLY 40 N 2.89 -0.68 3.36 0.62 0.00 -1.26 -0.99 105.19 109.13 2kzn n GLY 40 Ca 0.14 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.93 -0.06 0.99 1.43 -0.29 -3.32 118.68 118.35 2kzn s LEU 41 Ca 0.00 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 51.81 2kzn s LEU 41 Cb 0.00 0.95 0.02 0.00 0.03 0.00 0.00 46.19 47.19 2kzn s LEU 41 CO 0.00 -1.01 -0.07 -0.72 0.23 0.00 0.00 176.35 174.79 2kzn s TYR 42 N -3.91 1.04 0.17 0.29 -0.85 0.03 -1.74 117.35 112.37 2kzn s TYR 42 Ca 0.33 -0.37 0.07 0.00 -0.52 0.00 0.00 57.07 56.58 2kzn s TYR 42 Cb 0.03 -0.87 -0.04 0.00 0.38 0.00 0.00 41.96 41.46 2kzn s TYR 42 CO 0.14 -0.28 -0.15 0.14 -1.52 0.00 0.00 175.55 173.88 2kzn s VAL 43 N 1.08 1.61 -0.58 -3.49 -7.23 -0.22 -2.48 120.40 109.08 2kzn s VAL 43 Ca -0.08 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 57.80 2kzn s VAL 43 Cb -0.14 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.97 2kzn s VAL 43 CO -0.01 -0.50 1.23 -0.62 -0.31 0.00 0.00 175.10 174.89 2kzn s ASP 44 N -2.94 6.39 0.52 4.85 2.15 -0.69 -1.36 116.67 125.59 2kzn s ASP 44 Ca 0.17 0.12 0.34 0.00 0.43 0.00 0.00 52.55 53.61 2kzn s ASP 44 Cb -0.03 -2.55 1.48 0.00 -0.30 0.00 0.00 42.92 41.53 2kzn s ASP 44 CO 0.05 -1.53 1.78 0.40 -0.17 0.00 0.00 175.17 175.70 2kzn h ILE 45 N 6.19 0.39 -0.93 4.11 2.04 -1.91 0.24 117.51 127.64 2kzn h ILE 45 Ca -0.25 -0.02 0.19 0.00 1.00 0.00 0.00 64.86 65.78 2kzn h ILE 45 Cb 1.06 0.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 2kzn h ILE 45 CO 1.19 0.01 0.60 -0.37 0.00 0.00 0.00 178.15 179.58 2kzn h VAL 46 N 0.07 0.70 0.00 1.67 -1.51 -1.90 -3.27 116.25 112.01 2kzn h VAL 46 Ca 0.60 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 2kzn h VAL 46 Cb 2.23 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 2kzn h VAL 46 CO -0.07 0.10 0.00 -0.24 -1.23 0.00 0.00 177.57 176.12 2kzn n SER 47 N -4.57 0.00 -2.06 4.19 2.88 -0.82 -4.90 113.62 108.35 2kzn n SER 47 Ca 0.20 -1.00 -0.18 0.00 -1.33 0.00 0.00 58.87 56.56 2kzn n SER 47 Cb 0.65 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.10 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kzn n GLY 48 N 0.00 -0.31 3.61 0.46 0.00 0.01 -4.94 105.19 104.02 2kzn n GLY 48 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.87 3.58 0.06 1.61 -0.14 -1.13 -4.76 119.74 114.09 2kzn s LYS 49 Ca 0.00 1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 55.80 2kzn s LYS 49 Cb 0.00 -4.10 -0.09 0.00 -1.68 0.00 0.00 37.83 31.96 2kzn s LYS 49 CO 0.00 -1.55 1.91 -1.25 -0.76 0.00 0.00 175.35 173.70 2kzn s PRO 50 N 5.11 4.14 -0.15 -1.68 0.04 -1.26 -1.70 135.00 139.49 2kzn s PRO 50 Ca 0.74 2.59 -0.05 0.00 0.04 0.00 0.00 61.00 64.32 2kzn s PRO 50 Cb -0.23 -3.98 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 2kzn s PRO 50 CO 0.32 -0.92 -0.18 1.28 0.04 0.00 0.00 177.00 177.54 2kzn n LEU 51 N 6.96 1.74 -3.61 -3.56 4.77 -1.04 -4.59 117.00 117.67 2kzn n LEU 51 Ca 0.19 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.26 2kzn n LEU 51 Cb 0.40 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2kzn n LEU 51 CO 0.67 0.47 1.00 0.12 -1.33 0.00 0.00 177.39 178.32 2kzn s PHE 52 N -2.29 -0.10 0.38 -1.77 5.36 -1.17 -0.81 117.98 117.58 2kzn s PHE 52 Ca -0.21 -0.00 -0.24 0.00 -0.96 0.00 0.00 56.93 55.52 2kzn s PHE 52 Cb 0.07 0.54 -0.10 0.00 -0.34 0.00 0.00 43.02 43.19 2kzn s PHE 52 CO 0.30 -0.30 0.98 -0.08 -1.46 0.00 0.00 175.22 174.66 2kzn s THR 53 N -2.51 4.12 -0.60 0.12 -1.32 -1.26 -0.79 115.64 113.40 2kzn s THR 53 Ca 0.12 1.56 0.23 0.00 -1.21 0.00 0.00 61.69 62.39 2kzn s THR 53 Cb 0.02 -3.78 0.24 0.00 -1.51 0.00 0.00 72.50 67.47 2kzn s THR 53 CO -0.04 -0.05 1.71 -0.24 -2.21 0.00 0.00 174.62 173.79 2kzn n SER 54 N -0.04 0.61 -0.11 8.08 2.88 -1.21 -3.41 113.62 120.42 2kzn n SER 54 Ca 0.05 0.63 0.02 0.00 -1.33 0.00 0.00 58.87 58.23 2kzn n SER 54 Cb 0.51 -0.77 0.32 0.00 -0.75 0.00 0.00 64.21 63.53 2kzn n SER 54 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2kzn h LYS 55 N 0.00 0.77 -0.33 -1.46 3.64 -1.77 -3.01 116.57 114.42 2kzn h LYS 55 Ca 0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2kzn h LYS 55 Cb 0.43 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2kzn h LYS 55 CO 0.00 0.53 0.01 -0.25 -2.27 0.00 0.00 179.45 177.47 2kzn n ASP 56 N -4.43 3.80 -4.84 4.20 9.92 -1.22 -4.99 116.55 119.00 2kzn n ASP 56 Ca 0.06 -3.16 -0.31 0.00 -0.53 0.00 0.00 54.79 50.84 2kzn n ASP 56 Cb 0.06 -0.58 0.02 0.00 -0.64 0.00 0.00 41.12 39.98 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kzn s LYS 57 N -2.92 3.29 0.57 -1.24 2.20 -1.14 -4.90 119.74 115.61 2kzn s LYS 57 Ca 0.44 0.92 0.09 0.00 -0.36 0.00 0.00 55.97 57.06 2kzn s LYS 57 Cb 0.36 -2.04 0.08 0.00 -1.51 0.00 0.00 37.83 34.73 2kzn s LYS 57 CO 0.08 -0.82 0.72 -0.06 -0.36 0.00 0.00 175.35 174.91 2kzn s PHE 58 N -2.97 1.40 0.99 4.03 0.40 -1.26 -5.06 117.98 115.50 2kzn s PHE 58 Ca 0.58 -0.76 -0.13 0.00 -0.60 0.00 0.00 56.93 56.02 2kzn s PHE 58 Cb -0.13 -2.14 0.10 0.00 0.51 0.00 0.00 43.02 41.36 2kzn s PHE 58 CO 0.50 -1.05 0.62 -3.47 0.70 0.00 0.00 175.22 172.52 2kzn n ASP 59 N -2.17 -1.41 -3.97 1.36 2.03 -1.26 -4.76 116.55 106.38 2kzn n ASP 59 Ca 0.13 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2kzn n ASP 59 Cb 0.62 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2kzn n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kzn n SER 60 N -2.57 0.00 0.29 1.67 2.88 -1.26 -4.34 113.62 110.29 2kzn n SER 60 Ca 0.07 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.73 2kzn n SER 60 Cb 0.54 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.56 2kzn n SER 60 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2kzn h GLN 61 N 0.00 0.00 0.00 -1.46 -0.00 -1.88 -0.40 115.11 111.37 2kzn h GLN 61 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2kzn h GLN 61 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2kzn h GLN 61 CO 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 178.83 178.82 2kzn n GLY 63 N -0.89 2.99 3.15 0.00 0.00 -0.16 -5.12 105.19 105.16 2kzn n GLY 63 Ca -0.02 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 2.09 -0.15 1.61 0.51 -1.26 -4.28 118.94 113.46 2kzn s TRP 64 Ca 0.10 -0.78 -0.29 0.00 -2.12 0.00 0.00 56.10 53.00 2kzn s TRP 64 Cb -0.00 -1.42 -0.04 0.00 -0.81 0.00 0.00 33.47 31.20 2kzn s TRP 64 CO 0.07 -0.32 1.57 -2.14 -0.51 0.00 0.00 176.95 175.61 2kzn s PRO 65 N 0.36 4.02 -0.06 4.98 0.02 -1.21 -4.86 135.00 138.25 2kzn s PRO 65 Ca -0.14 1.86 0.06 0.00 0.02 0.00 0.00 61.00 62.80 2kzn s PRO 65 Cb -0.16 -3.97 -0.01 0.00 0.02 0.00 0.00 34.50 30.38 2kzn s PRO 65 CO 0.06 -1.02 -0.25 -1.54 -0.33 0.00 0.00 177.00 173.92 2kzn s SER 66 N 3.50 3.09 0.23 2.53 1.04 -1.26 -2.78 113.70 120.04 2kzn s SER 66 Ca 0.69 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.65 2kzn s SER 66 Cb -0.28 -0.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.91 2kzn s SER 66 CO 0.27 0.23 0.17 0.33 0.98 0.00 0.00 173.24 175.22 2kzn n PHE 67 N 3.02 -0.39 -0.13 5.02 7.35 -0.30 -4.93 117.46 127.10 2kzn n PHE 67 Ca -0.18 -1.81 -0.27 0.00 -0.76 0.00 0.00 57.45 54.43 2kzn n PHE 67 Cb 0.52 0.15 -0.11 0.00 0.35 0.00 0.00 39.48 40.39 2kzn n PHE 67 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2kzn n THR 68 N -0.46 1.53 -2.34 -2.13 -2.24 -1.26 0.16 114.28 107.55 2kzn n THR 68 Ca 0.03 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 2kzn n THR 68 Cb 0.40 -1.81 -0.02 0.00 -2.10 0.00 0.00 70.33 66.80 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 -2.50 4.25 0.64 -0.78 2.20 -1.26 -4.34 119.74 117.95 2kzn s LYS 69 Ca -0.37 1.78 0.07 0.00 -0.36 0.00 0.00 55.97 57.09 2kzn s LYS 69 Cb 0.13 -3.74 0.11 0.00 -1.51 0.00 0.00 37.83 32.83 2kzn s LYS 69 CO 0.52 -0.67 0.89 -0.35 -0.36 0.00 0.00 175.35 175.38 2kzn n PRO 70 N 6.29 0.36 -3.04 4.03 -0.04 -1.26 -4.95 135.00 136.40 2kzn n PRO 70 Ca 0.14 -3.08 -0.44 0.00 -0.04 0.00 0.00 63.50 60.08 2kzn n PRO 70 Cb 0.45 -0.39 -0.04 0.00 -0.04 0.00 0.00 33.50 33.48 2kzn n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kzn s ILE 71 N -2.85 4.75 -0.44 0.52 1.01 0.01 -4.93 121.20 119.27 2kzn s ILE 71 Ca 0.64 -1.08 0.26 0.00 0.00 0.00 0.00 60.65 60.47 2kzn s ILE 71 Cb -0.05 -4.59 0.28 0.00 0.01 0.00 0.00 42.46 38.12 2kzn s ILE 71 CO 0.41 -1.27 1.76 1.05 0.00 0.00 0.00 174.94 176.90 2kzn h GLU 72 N 9.09 0.00 -0.37 2.79 4.11 -1.89 -2.21 114.58 126.11 2kzn h GLU 72 Ca -0.17 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.17 2kzn h GLU 72 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kzn h GLU 72 CO 1.09 0.00 -0.11 0.93 0.07 0.00 0.00 179.01 180.99 2kzn h GLU 73 N 0.00 0.72 0.00 1.06 4.39 -1.92 -3.31 114.58 115.52 2kzn h GLU 73 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2kzn h GLU 73 Cb 0.50 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kzn h GLU 73 CO 0.00 0.89 -1.81 0.39 -1.16 0.00 0.00 179.01 177.32 2kzn n GLU 74 N -4.36 0.57 -3.28 2.33 -0.58 -1.06 -4.92 120.64 109.35 2kzn n GLU 74 Ca -0.02 -0.16 -0.38 0.00 -0.42 0.00 0.00 57.16 56.18 2kzn n GLU 74 Cb 0.36 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kzn s VAL 75 N -3.44 5.16 -0.21 2.62 1.01 -0.86 -4.83 120.40 119.84 2kzn s VAL 75 Ca -0.05 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 2kzn s VAL 75 Cb 0.14 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2kzn s VAL 75 CO 0.90 0.30 -0.06 -1.61 0.00 0.00 0.00 175.10 174.63 2kzn s GLU 76 N 0.78 3.35 -0.34 2.72 0.41 -1.26 -4.74 118.70 119.62 2kzn s GLU 76 Ca 0.27 -0.64 -0.22 0.00 -0.41 0.00 0.00 54.97 53.97 2kzn s GLU 76 Cb -0.15 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 2kzn s GLU 76 CO 0.11 -0.18 0.71 -1.83 -0.49 0.00 0.00 175.26 173.57 2kzn s GLU 77 N 1.43 3.81 -0.26 1.61 1.03 -1.26 -1.29 118.70 123.77 2kzn s GLU 77 Ca 0.05 0.29 0.03 0.00 0.03 0.00 0.00 54.97 55.37 2kzn s GLU 77 Cb -0.14 -3.77 0.06 0.00 -0.80 0.00 0.00 34.13 29.48 2kzn s GLU 77 CO -0.04 -0.72 -0.10 0.15 -1.33 0.00 0.00 175.26 173.22 2kzn s LYS 78 N 2.85 2.14 0.11 -4.83 -0.14 -0.56 -4.98 119.74 114.33 2kzn s LYS 78 Ca 0.28 -1.30 -0.33 0.00 -1.36 0.00 0.00 55.97 53.26 2kzn s LYS 78 Cb -0.14 -2.85 -0.12 0.00 -1.68 0.00 0.00 37.83 33.04 2kzn s LYS 78 CO 0.14 -0.58 1.73 -0.11 -0.76 0.00 0.00 175.35 175.78 2kzn n LEU 79 N 4.46 3.58 -4.18 3.17 7.94 -1.26 -0.96 117.00 129.76 2kzn n LEU 79 Ca -0.13 1.03 -0.20 0.00 -1.11 0.00 0.00 56.01 55.60 2kzn n LEU 79 Cb 0.42 -1.48 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 2kzn n LEU 79 CO 0.21 -0.03 -0.47 -0.62 -1.11 0.00 0.00 177.39 175.36 2kzn s ASP 80 N 2.06 1.82 -0.00 1.96 2.15 -0.13 -4.85 116.67 119.68 2kzn s ASP 80 Ca 0.82 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.23 2kzn s ASP 80 Cb -0.59 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 41.94 2kzn s ASP 80 CO 0.39 -0.01 0.83 0.35 -0.17 0.00 0.00 175.17 176.56 2kzn n THR 81 N 1.50 0.04 0.35 1.71 -2.24 -1.26 -1.90 114.28 112.47 2kzn n THR 81 Ca -0.20 -0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.69 2kzn n THR 81 Cb 0.54 0.66 0.58 0.00 -2.10 0.00 0.00 70.33 70.01 2kzn n THR 81 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kzn h SER 82 N 0.00 0.00 0.50 3.42 0.02 -1.97 -1.59 113.55 113.93 2kzn h SER 82 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kzn h SER 82 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2kzn h SER 82 CO 0.00 0.00 -0.14 1.57 -1.14 0.00 0.00 176.83 177.12 2kzn n HIS 83 N -2.62 0.00 -0.44 3.45 -0.00 -1.26 -4.92 115.22 109.43 2kzn n HIS 83 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2kzn n HIS 83 Cb 0.26 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 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 1.35 0.75 3.20 1.57 0.00 -0.60 -5.06 105.19 106.40 2kzn n GLY 84 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2kzn n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kzn s MET 85 N -0.56 1.05 0.02 1.61 -1.94 -1.26 -5.12 119.30 113.09 2kzn s MET 85 Ca 0.00 -1.51 -0.30 0.00 -1.71 0.00 0.00 55.69 52.17 2kzn s MET 85 Cb 0.00 0.00 -0.06 0.00 2.01 0.00 0.00 34.83 36.78 2kzn s MET 85 CO 0.00 -0.22 1.42 0.42 -0.01 0.00 0.00 175.02 176.64 2kzn s ILE 86 N -3.87 3.62 0.35 2.53 -1.09 -1.26 -4.23 121.20 117.25 2kzn s ILE 86 Ca 0.26 1.03 -0.17 0.00 -2.23 0.00 0.00 60.65 59.53 2kzn s ILE 86 Cb 0.07 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.34 2kzn s ILE 86 CO 0.04 0.00 0.79 0.00 -1.23 0.00 0.00 174.94 174.54 2kzn s ARG 87 N 2.31 2.10 -0.01 2.79 1.70 -0.80 -4.66 118.95 122.37 2kzn s ARG 87 Ca 0.65 -1.31 0.03 0.00 -0.47 0.00 0.00 55.73 54.63 2kzn s ARG 87 Cb -0.33 0.61 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 2kzn s ARG 87 CO 0.27 -0.98 -0.10 0.99 -1.08 0.00 0.00 175.30 174.41 2kzn s THR 88 N -2.67 0.77 -0.11 4.99 2.01 -1.22 -0.95 115.64 118.46 2kzn s THR 88 Ca 0.15 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2kzn s THR 88 Cb -0.05 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 2kzn s THR 88 CO 0.10 0.22 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.37 2kzn s GLU 89 N -0.22 3.18 -0.30 4.92 2.12 -0.14 -1.02 118.70 127.24 2kzn s GLU 89 Ca 0.04 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 54.40 2kzn s GLU 89 Cb -0.04 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.87 2kzn s GLU 89 CO -0.00 0.23 0.56 0.14 -0.54 0.00 0.00 175.26 175.64 2kzn s VAL 90 N 0.27 5.00 -0.29 3.70 -7.23 -0.59 -1.50 120.40 119.77 2kzn s VAL 90 Ca -0.13 0.75 -0.15 0.00 -1.81 0.00 0.00 61.98 60.64 2kzn s VAL 90 Cb -0.16 -3.93 0.12 0.00 0.56 0.00 0.00 36.38 32.97 2kzn s VAL 90 CO 0.07 -0.07 0.84 0.00 -0.31 0.00 0.00 175.10 175.62 2kzn s ARG 91 N 2.45 0.51 0.57 4.82 1.70 -0.41 -2.20 118.95 126.39 2kzn s ARG 91 Ca 0.22 0.96 0.09 0.00 -0.47 0.00 0.00 55.73 56.53 2kzn s ARG 91 Cb -0.15 0.23 0.08 0.00 -0.57 0.00 0.00 34.95 34.54 2kzn s ARG 91 CO 0.11 -0.12 0.78 0.45 -1.08 0.00 0.00 175.30 175.44 2kzn s SER 92 N 1.75 5.12 -0.11 -2.89 0.15 -0.92 -4.54 113.70 112.25 2kzn s SER 92 Ca -0.08 -0.79 -0.05 0.00 0.70 0.00 0.00 55.95 55.73 2kzn s SER 92 Cb -0.05 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2kzn s SER 92 CO -0.17 -1.32 0.14 -0.09 1.20 0.00 0.00 173.24 173.00 2kzn h ARG 93 N 0.19 -0.01 0.21 5.44 2.43 -1.99 -2.21 114.38 118.44 2kzn h ARG 93 Ca -0.31 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2kzn h ARG 93 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2kzn h ARG 93 CO 0.41 0.16 -0.10 1.15 -1.51 0.00 0.00 179.97 180.08 2kzn h THR 94 N -1.00 0.00 0.00 0.20 2.02 -2.04 -3.42 112.91 108.67 2kzn h THR 94 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2kzn h THR 94 Cb 0.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2kzn h THR 94 CO 0.00 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.41 2kzn n ALA 95 N -2.29 1.75 -0.43 6.16 0.00 -1.26 -4.86 120.51 119.57 2kzn n ALA 95 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2kzn n ALA 95 Cb 0.11 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.11 4.30 0.00 0.00 9.92 -1.26 -4.24 116.55 124.16 2kzn n ASP 96 Ca 0.00 -2.23 0.03 0.00 -0.53 0.00 0.00 54.79 52.06 2kzn n ASP 96 Cb 0.00 -0.53 0.13 0.00 -0.64 0.00 0.00 41.12 40.08 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2kzn n SER 97 N 1.36 0.00 -0.36 -2.24 3.41 -0.83 -2.17 113.62 112.79 2kzn n SER 97 Ca 0.25 0.47 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2kzn n SER 97 Cb 0.75 -0.48 0.60 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.48 0.02 0.00 7.33 8.25 -1.26 -4.56 115.22 123.53 2kzn n HIS 98 Ca 0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kzn n HIS 98 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.10 0.00 0.00 2.41 4.77 -1.18 -4.82 117.00 118.07 2kzn n LEU 99 Ca 0.20 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 2kzn n LEU 99 Cb 0.29 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2kzn n LEU 99 CO 0.16 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2kzn n GLY 100 N -0.96 -0.50 3.25 -0.72 0.00 -0.94 -4.39 105.19 100.93 2kzn n GLY 100 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.45 1.24 0.14 1.61 -3.43 -1.15 -1.54 115.29 108.71 2kzn s HIS 101 Ca 0.00 -1.09 0.05 0.00 -0.80 0.00 0.00 55.06 53.22 2kzn s HIS 101 Cb 0.00 -0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 30.40 2kzn s HIS 101 CO 0.00 -0.28 -0.11 0.14 -2.00 0.00 0.00 174.74 172.49 2kzn s VAL 102 N -3.73 1.20 -0.20 -5.38 -7.23 -0.19 -1.99 120.40 102.89 2kzn s VAL 102 Ca 0.27 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2kzn s VAL 102 Cb 0.07 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 2kzn s VAL 102 CO 0.06 -0.65 -0.08 0.12 -0.31 0.00 0.00 175.10 174.24 2kzn s PHE 103 N -2.98 2.91 -1.68 2.82 5.36 -1.06 -3.39 117.98 119.96 2kzn s PHE 103 Ca 0.14 -0.94 0.22 0.00 -0.96 0.00 0.00 56.93 55.39 2kzn s PHE 103 Cb 0.00 -2.03 1.19 0.00 -0.34 0.00 0.00 43.02 41.85 2kzn s PHE 103 CO 0.01 -0.49 1.70 0.09 -1.46 0.00 0.00 175.22 175.07 2kzn n ASN 104 N 4.48 0.00 -1.59 6.13 4.13 -1.26 -1.90 115.26 125.25 2kzn n ASN 104 Ca -0.18 -0.32 -0.14 0.00 1.68 0.00 0.00 54.58 55.61 2kzn n ASN 104 Cb 0.51 -0.16 0.14 0.00 -1.54 0.00 0.00 39.78 38.74 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 -1.16 3.83 -3.70 6.41 2.03 -1.26 -4.86 116.55 117.83 2kzn n ASP 105 Ca 0.13 -3.78 -0.30 0.00 0.52 0.00 0.00 54.79 51.37 2kzn n ASP 105 Cb 0.13 -0.64 -0.13 0.00 -0.72 0.00 0.00 41.12 39.76 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 -2.60 1.55 0.37 0.27 0.00 -1.08 -5.05 107.32 100.79 2kzn s GLY 106 Ca 0.50 -2.44 -0.28 0.00 0.00 0.00 0.00 44.72 42.50 2kzn s GLY 106 CO 0.01 1.57 1.35 -1.55 0.00 0.00 0.00 173.10 174.49 2kzn n PRO 107 N 3.74 2.27 -3.12 2.90 -0.04 -1.26 -3.14 135.00 136.36 2kzn n PRO 107 Ca 0.07 0.80 0.02 0.00 -0.04 0.00 0.00 63.50 64.35 2kzn n PRO 107 Cb 0.36 -2.45 0.01 0.00 -0.04 0.00 0.00 33.50 31.38 2kzn n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kzn n GLY 108 N 0.67 0.31 0.27 0.55 0.00 -1.26 -4.82 105.19 100.91 2kzn n GLY 108 Ca 0.04 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.23 2kzn n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kzn h PRO 109 N 0.00 0.00 0.00 1.61 0.13 -1.94 -2.49 132.00 129.32 2kzn h PRO 109 Ca -0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.80 2kzn h PRO 109 Cb 0.67 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 2kzn h PRO 109 CO 0.17 0.03 -2.16 0.27 -0.23 0.00 0.00 178.00 176.08 2kzn n ASN 110 N -4.16 0.31 0.00 1.44 6.94 -1.26 -5.01 115.26 113.52 2kzn n ASN 110 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 2kzn n ASN 110 Cb 0.11 1.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.88 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 1.63 0.73 3.72 4.83 0.00 -0.94 -5.05 105.19 110.12 2kzn n GLY 111 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 3.47 -0.33 0.99 1.43 -1.19 -3.83 118.68 119.22 2kzn s LEU 112 Ca 0.00 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2kzn s LEU 112 Cb 0.00 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.27 2kzn s LEU 112 CO 0.00 0.01 0.05 -0.60 0.23 0.00 0.00 176.35 176.04 2kzn s ARG 113 N -3.54 1.99 -0.75 1.70 6.06 -0.80 -4.60 118.95 119.01 2kzn s ARG 113 Ca 0.31 -1.62 -0.26 0.00 -2.50 0.00 0.00 55.73 51.66 2kzn s ARG 113 Cb -0.08 -3.25 0.00 0.00 0.06 0.00 0.00 34.95 31.69 2kzn s ARG 113 CO 0.22 -0.83 1.63 -0.47 -2.50 0.00 0.00 175.30 173.34 2kzn s TYR 114 N 1.09 2.01 -0.26 5.12 5.04 0.12 -2.58 117.35 127.89 2kzn s TYR 114 Ca 0.03 0.27 0.03 0.00 -2.44 0.00 0.00 57.07 54.95 2kzn s TYR 114 Cb -0.20 -4.34 0.06 0.00 0.35 0.00 0.00 41.96 37.83 2kzn s TYR 114 CO -0.05 -2.10 -0.08 0.00 -1.34 0.00 0.00 175.55 171.98 2kzn s ILE 116 N 1.15 2.50 -0.29 0.00 -1.09 -1.12 -2.93 121.20 119.43 2kzn s ILE 116 Ca -0.06 -1.47 -0.29 0.00 -2.23 0.00 0.00 60.65 56.60 2kzn s ILE 116 Cb -0.20 -2.07 -0.00 0.00 -1.58 0.00 0.00 42.46 38.60 2kzn s ILE 116 CO -0.06 0.22 1.38 0.20 -1.23 0.00 0.00 174.94 175.46 2kzn s ASN 117 N -1.72 6.58 0.58 3.58 0.01 -1.26 -3.36 114.94 119.35 2kzn s ASN 117 Ca 0.15 1.28 0.29 0.00 -0.71 0.00 0.00 52.86 53.86 2kzn s ASN 117 Cb -0.10 -2.54 1.77 0.00 0.41 0.00 0.00 41.25 40.79 2kzn s ASN 117 CO 0.06 -1.14 2.25 -1.28 -1.51 0.00 0.00 177.10 175.47 2kzn h SER 118 N 9.71 0.00 -0.12 -1.22 0.87 -1.90 -1.43 113.55 119.46 2kzn h SER 118 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2kzn h SER 118 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2kzn h SER 118 CO 1.03 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.33 2kzn n ALA 119 N -2.34 2.53 -1.96 6.23 0.00 -1.26 -3.26 120.51 120.44 2kzn n ALA 119 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.12 2kzn n ALA 119 Cb 0.09 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.12 2.31 -2.46 0.00 0.00 -0.55 -4.76 120.51 114.93 2kzn n ALA 120 Ca 0.11 -1.87 -0.28 0.00 0.00 0.00 0.00 53.44 51.41 2kzn n ALA 120 Cb 0.18 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.76 2.56 -0.29 0.00 1.43 -1.17 -4.35 118.68 116.10 2kzn s LEU 121 Ca 0.19 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2kzn s LEU 121 Cb 0.19 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 45.10 2kzn s LEU 121 CO -0.05 0.14 0.00 -0.60 0.23 0.00 0.00 176.35 176.08 2kzn s ARG 122 N -2.44 2.68 -0.29 1.70 6.06 -0.46 -4.91 118.95 121.29 2kzn s ARG 122 Ca 0.19 -1.10 -0.18 0.00 -2.50 0.00 0.00 55.73 52.14 2kzn s ARG 122 Cb -0.09 -3.18 -0.02 0.00 0.06 0.00 0.00 34.95 31.72 2kzn s ARG 122 CO 0.10 -0.53 0.54 -0.06 -2.50 0.00 0.00 175.30 172.85 2kzn s PHE 123 N 1.33 3.23 -0.29 5.12 0.40 -1.26 -1.06 117.98 125.45 2kzn s PHE 123 Ca -0.02 0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2kzn s PHE 123 Cb -0.18 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.58 2kzn s PHE 123 CO -0.01 -0.38 -0.03 0.08 0.70 0.00 0.00 175.22 175.57 2kzn s VAL 124 N 2.40 2.60 0.83 -0.44 1.01 -0.71 -4.86 120.40 121.22 2kzn s VAL 124 Ca 0.21 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 2kzn s VAL 124 Cb -0.15 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.76 2kzn s VAL 124 CO 0.11 -0.14 1.11 -2.16 0.00 0.00 0.00 175.10 174.01 2kzn s PRO 125 N 1.15 1.76 0.50 2.72 0.04 -1.26 -1.14 135.00 138.78 2kzn s PRO 125 Ca -0.05 1.24 0.24 0.00 0.04 0.00 0.00 61.00 62.47 2kzn s PRO 125 Cb -0.20 -1.84 1.35 0.00 0.04 0.00 0.00 34.50 33.85 2kzn s PRO 125 CO -0.03 -2.01 2.05 -0.22 0.04 0.00 0.00 177.00 176.82 2kzn h LYS 126 N -1.40 0.00 0.00 4.56 3.64 -1.40 0.11 116.57 122.07 2kzn h LYS 126 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2kzn h LYS 126 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2kzn h LYS 126 CO 0.49 0.14 0.00 1.58 -2.27 0.00 0.00 179.45 179.39 2kzn n HIS 127 N -3.80 0.53 0.07 1.91 -0.00 -1.26 -2.51 115.22 110.16 2kzn n HIS 127 Ca -0.02 0.20 0.07 0.00 0.46 0.00 0.00 57.72 58.42 2kzn n HIS 127 Cb 0.24 -0.82 -0.10 0.00 -0.12 0.00 0.00 29.99 29.19 2kzn n HIS 127 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kzn n LYS 128 N -1.97 0.70 -0.12 1.57 4.76 -0.11 -4.71 118.16 118.27 2kzn n LYS 128 Ca 0.03 -0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 2kzn n LYS 128 Cb 0.24 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.12 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2kzn h LEU 129 N 0.00 0.71 -2.00 -0.35 3.38 -0.87 -1.09 115.31 115.10 2kzn h LEU 129 Ca 0.00 -0.37 0.17 0.00 0.09 0.00 0.00 57.88 57.77 2kzn h LEU 129 Cb 0.56 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2kzn h LEU 129 CO 0.00 0.92 0.45 0.11 0.09 0.00 0.00 178.44 180.01 2kzn h LYS 130 N 0.50 0.00 0.00 1.13 1.57 -1.84 0.74 116.57 118.67 2kzn h LYS 130 Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2kzn h LYS 130 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2kzn h LYS 130 CO 0.04 0.00 -0.36 1.49 -0.57 0.00 0.00 179.45 180.05 2kzn h GLU 131 N 0.00 0.00 -0.46 3.15 4.81 -1.82 -3.42 114.58 116.84 2kzn h GLU 131 Ca 0.28 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 2kzn h GLU 131 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2kzn h GLU 131 CO -0.00 1.00 0.03 -1.91 -0.73 0.00 0.00 179.01 177.40 2kzn n GLU 132 N -4.56 3.90 0.00 1.92 2.13 -0.14 -4.83 120.64 119.06 2kzn n GLU 132 Ca -0.16 -3.04 0.00 0.00 0.66 0.00 0.00 57.16 54.62 2kzn n GLU 132 Cb 0.54 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 0.02 0.68 0.46 8.31 0.00 0.58 -4.95 105.19 110.30 2kzn n GLY 133 Ca 0.27 -0.42 0.33 0.00 0.00 0.00 0.00 46.02 46.20 2kzn n GLY 133 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2kzn h TYR 134 N 0.00 0.52 0.00 1.61 -0.00 0.09 -2.32 116.97 116.87 2kzn h TYR 134 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 2kzn h TYR 134 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 36.59 2kzn h TYR 134 CO 0.00 -0.12 0.17 1.05 -0.00 0.00 0.00 178.16 179.26 2kzn h GLU 135 N 0.17 0.00 0.02 0.10 4.11 -1.92 0.32 114.58 117.37 2kzn h GLU 135 Ca 0.75 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.94 2kzn h GLU 135 Cb 2.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.51 2kzn h GLU 135 CO -0.35 0.00 -1.19 0.77 0.07 0.00 0.00 179.01 178.30 2kzn h SER 136 N 0.00 0.05 0.00 3.06 0.02 -1.81 -1.89 113.55 112.98 2kzn h SER 136 Ca 0.00 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2kzn h SER 136 Cb 0.33 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2kzn h SER 136 CO 0.00 1.05 -0.84 0.00 -1.14 0.00 0.00 176.83 175.90 2kzn n TYR 137 N -3.31 0.00 0.21 3.45 9.36 -0.75 -4.36 117.16 121.76 2kzn n TYR 137 Ca -0.05 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.23 2kzn n TYR 137 Cb 0.97 -0.27 0.45 0.00 -0.63 0.00 0.00 39.34 39.86 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 -0.41 0.00 0.00 2.98 4.07 -0.61 -0.41 115.31 120.93 2kzn h LEU 138 Ca -0.10 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.54 2kzn h LEU 138 Cb 0.70 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 2kzn h LEU 138 CO -0.06 0.30 -1.73 1.57 -1.08 0.00 0.00 178.44 177.44 2kzn n HIS 139 N -3.90 0.66 0.04 1.13 -0.00 -1.20 -3.98 115.22 107.97 2kzn n HIS 139 Ca -0.02 0.28 -0.13 0.00 0.46 0.00 0.00 57.72 58.32 2kzn n HIS 139 Cb 0.38 -1.07 -0.08 0.00 -0.12 0.00 0.00 29.99 29.10 2kzn n HIS 139 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2kzn h LEU 140 N -0.98 -0.06 0.14 0.27 3.38 -1.30 -2.98 115.31 113.79 2kzn h LEU 140 Ca -0.48 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.03 2kzn h LEU 140 Cb 1.43 0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.22 2kzn h LEU 140 CO -0.28 0.21 -0.96 0.15 0.09 0.00 0.00 178.44 177.65 2kzn h PHE 141 N -0.33 0.70 -3.72 1.13 3.57 -1.31 -3.40 116.94 113.59 2kzn h PHE 141 Ca -0.01 -0.48 -0.78 0.00 3.53 0.00 0.00 57.97 60.23 2kzn h PHE 141 Cb 0.29 -0.04 -0.28 0.00 2.79 0.00 0.00 35.95 38.72 2kzn h PHE 141 CO 0.01 1.35 0.15 1.21 -2.23 0.00 0.00 178.31 178.81 2kzn s ASN 142 N -7.11 6.77 -1.12 0.41 2.47 -0.99 -4.99 114.94 110.39 2kzn s ASN 142 Ca -0.12 -2.99 -0.24 0.00 0.42 0.00 0.00 52.86 49.93 2kzn s ASN 142 Cb 0.02 -2.17 -0.13 0.00 -1.45 0.00 0.00 41.25 37.52 2kzn s ASN 142 CO 0.86 -0.47 2.01 -0.75 -3.72 0.00 0.00 177.10 175.04 2kzn s LYS 143 N -0.30 2.02 -0.63 0.43 2.20 -1.13 -3.75 119.74 118.59 2kzn s LYS 143 Ca 0.22 -0.81 -0.20 0.00 -0.36 0.00 0.00 55.97 54.82 2kzn s LYS 143 Cb -0.11 -5.13 0.09 0.00 -1.51 0.00 0.00 37.83 31.18 2kzn s LYS 143 CO -0.08 -4.48 0.81 -1.17 -0.36 0.00 0.00 175.35 170.07 2kzn s LEU 144 N 13.14 5.01 0.09 5.43 1.98 -1.26 -5.03 118.68 138.04 2kzn s LEU 144 Ca 0.74 -1.29 -0.30 0.00 -2.89 0.00 0.00 54.13 50.39 2kzn s LEU 144 Cb -0.03 -2.35 -0.06 0.00 0.66 0.00 0.00 46.19 44.41 2kzn s LEU 144 CO 0.14 -1.24 1.16 -0.70 -1.89 0.00 0.00 176.35 173.82 2kzn s GLU 145 N 3.20 4.48 0.74 1.98 2.12 -1.26 -5.02 118.70 124.94 2kzn s GLU 145 Ca 0.16 1.74 -0.13 0.00 0.36 0.00 0.00 54.97 57.09 2kzn s GLU 145 Cb -0.21 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 30.89 2kzn s GLU 145 CO 0.07 -0.15 1.13 -1.01 -0.54 0.00 0.00 175.26 174.76 2kzn s HIS 146 N 0.68 2.33 -1.32 5.30 3.76 -1.26 -5.30 115.29 119.48 2kzn s HIS 146 Ca 0.56 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 57.07 2kzn s HIS 146 Cb -0.29 -3.24 0.00 0.00 1.11 0.00 0.00 32.58 30.16 2kzn s HIS 146 CO 0.31 -2.10 0.33 -2.39 -0.85 0.00 0.00 174.74 170.04