#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 2.74 0.24 3.04 0.00 -1.26 -4.99 121.76 121.53 2kzn s ALA 2 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 2kzn s ALA 2 Cb 0.00 -4.06 -0.07 0.00 0.00 0.00 0.00 23.12 18.99 2kzn s ALA 2 CO 0.00 -2.82 0.58 0.71 0.00 0.00 0.00 175.76 174.23 2kzn s TYR 3 N 7.61 3.43 0.73 0.00 2.02 -1.26 -5.10 117.35 124.79 2kzn s TYR 3 Ca 0.86 0.94 -0.13 0.00 -0.37 0.00 0.00 57.07 58.37 2kzn s TYR 3 Cb -0.25 -2.31 0.04 0.00 -0.40 0.00 0.00 41.96 39.04 2kzn s TYR 3 CO 0.33 0.26 1.13 1.21 -1.57 0.00 0.00 175.55 176.91 2kzn s ASN 4 N -2.29 4.50 0.41 2.29 3.84 -1.26 -4.76 114.94 117.67 2kzn s ASN 4 Ca 0.48 2.07 0.08 0.00 0.21 0.00 0.00 52.86 55.69 2kzn s ASN 4 Cb -0.11 -2.56 0.88 0.00 -0.55 0.00 0.00 41.25 38.91 2kzn s ASN 4 CO 0.20 -2.05 2.04 0.11 -2.79 0.00 0.00 177.10 174.62 2kzn h LYS 5 N -0.53 0.52 0.05 0.43 1.79 -1.98 0.42 116.57 117.27 2kzn h LYS 5 Ca -0.46 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2kzn h LYS 5 Cb 1.26 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2kzn h LYS 5 CO 0.51 0.35 -0.03 1.49 -1.08 0.00 0.00 179.45 180.69 2kzn h GLU 6 N 0.54 -0.07 0.00 3.15 4.81 -2.00 -2.77 114.58 118.24 2kzn h GLU 6 Ca 0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2kzn h GLU 6 Cb 0.05 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2kzn h GLU 6 CO -0.04 0.28 -0.04 1.49 -0.73 0.00 0.00 179.01 179.97 2kzn h GLU 7 N -0.43 0.00 0.60 1.92 4.81 -1.69 -1.35 114.58 118.44 2kzn h GLU 7 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2kzn h GLU 7 Cb 0.38 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.77 2kzn h GLU 7 CO 0.01 0.04 -0.29 0.87 -0.73 0.00 0.00 179.01 178.91 2kzn h LYS 8 N 0.00 -0.77 -0.65 1.92 1.79 -0.14 -3.22 116.57 115.50 2kzn h LYS 8 Ca -0.00 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2kzn h LYS 8 Cb 0.14 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 2kzn h LYS 8 CO 0.00 -0.46 0.32 0.82 -1.08 0.00 0.00 179.45 179.05 2kzn h ILE 9 N -1.07 1.22 0.06 1.86 1.08 -1.03 -1.13 117.51 118.50 2kzn h ILE 9 Ca -0.08 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2kzn h ILE 9 Cb 0.67 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2kzn h ILE 9 CO 0.13 0.25 -0.03 0.50 -0.69 0.00 0.00 178.15 178.32 2kzn h LYS 10 N 0.90 -0.08 -0.12 2.37 3.64 -1.40 0.90 116.57 122.78 2kzn h LYS 10 Ca 0.23 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2kzn h LYS 10 Cb 0.11 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2kzn h LYS 10 CO -0.03 -0.04 -0.02 0.66 -2.27 0.00 0.00 179.45 177.75 2kzn h SER 11 N -0.10 0.23 -0.64 4.20 4.64 -1.54 -3.28 113.55 117.06 2kzn h SER 11 Ca -0.01 -0.36 0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2kzn h SER 11 Cb 0.08 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 2kzn h SER 11 CO 0.01 0.53 0.25 0.25 -0.87 0.00 0.00 176.83 177.00 2kzn h LEU 12 N -0.08 0.25 -1.21 5.97 5.85 -1.11 -2.62 115.31 122.37 2kzn h LEU 12 Ca 0.03 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2kzn h LEU 12 Cb 0.43 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2kzn h LEU 12 CO 0.01 0.14 0.30 0.78 -0.34 0.00 0.00 178.44 179.33 2kzn h ASN 13 N 0.43 0.76 -0.35 1.25 -0.26 -0.87 -0.68 115.58 115.85 2kzn h ASN 13 Ca 0.33 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.87 2kzn h ASN 13 Cb 0.42 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2kzn h ASN 13 CO -0.32 0.64 -0.23 0.03 -1.06 0.00 0.00 177.43 176.49 2kzn h ARG 14 N 0.85 0.85 0.59 0.81 3.08 -1.55 -1.89 114.38 117.11 2kzn h ARG 14 Ca 0.21 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2kzn h ARG 14 Cb 0.08 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.10 2kzn h ARG 14 CO -0.03 0.99 -0.28 1.98 -1.07 0.00 0.00 179.97 181.56 2kzn h MET 15 N 0.74 -0.76 -0.54 0.04 4.05 -1.01 -2.61 114.93 114.84 2kzn h MET 15 Ca 0.10 0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 2kzn h MET 15 Cb 0.77 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 2kzn h MET 15 CO 0.06 -0.51 0.17 1.96 0.23 0.00 0.00 176.91 178.82 2kzn h GLN 16 N -1.14 0.83 -0.27 0.39 4.20 -1.24 -1.57 115.11 116.30 2kzn h GLN 16 Ca -0.08 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.51 2kzn h GLN 16 Cb 0.60 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 2kzn h GLN 16 CO 0.13 0.76 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.99 2kzn h TYR 17 N 0.74 -0.37 -0.97 2.96 3.20 -1.46 0.20 116.97 121.27 2kzn h TYR 17 Ca 0.17 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2kzn h TYR 17 Cb 0.28 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 2kzn h TYR 17 CO 0.02 -0.22 0.64 1.49 -1.64 0.00 0.00 178.16 178.45 2kzn h GLU 18 N -0.12 1.25 0.50 1.82 4.81 -1.04 -0.45 114.58 121.35 2kzn h GLU 18 Ca 0.15 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2kzn h GLU 18 Cb 0.34 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2kzn h GLU 18 CO -0.35 0.83 -0.24 0.28 -0.73 0.00 0.00 179.01 178.80 2kzn h VAL 19 N 1.28 0.10 -0.45 0.32 2.07 -0.87 -2.63 116.25 116.07 2kzn h VAL 19 Ca 0.37 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.48 2kzn h VAL 19 Cb -0.10 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2kzn h VAL 19 CO -0.09 0.02 0.32 0.74 0.02 0.00 0.00 177.57 178.58 2kzn h THR 20 N -1.14 0.82 -0.11 2.57 2.02 -0.94 0.67 112.91 116.80 2kzn h THR 20 Ca -0.07 -0.03 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 2kzn h THR 20 Cb 0.55 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2kzn h THR 20 CO 0.11 0.02 -0.64 -0.61 0.37 0.00 0.00 175.52 174.77 2kzn h GLN 21 N 0.10 0.42 -0.09 6.66 5.75 -1.05 -3.13 115.11 123.77 2kzn h GLN 21 Ca 0.21 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2kzn h GLN 21 Cb 0.72 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2kzn h GLN 21 CO -0.02 0.92 0.00 -1.71 -2.65 0.00 0.00 178.83 175.37 2kzn n ASN 22 N -3.89 2.31 -2.33 -0.69 5.15 -0.83 -4.97 115.26 110.00 2kzn n ASN 22 Ca -0.03 -1.64 -0.08 0.00 -0.60 0.00 0.00 54.58 52.22 2kzn n ASN 22 Cb 0.65 -0.05 -0.01 0.00 -0.53 0.00 0.00 39.78 39.84 2kzn n ASN 22 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2kzn n ASN 23 N 0.77 -2.80 -3.59 1.20 6.94 0.22 -4.93 115.26 113.07 2kzn n ASN 23 Ca 0.09 0.29 -0.18 0.00 -0.02 0.00 0.00 54.58 54.76 2kzn n ASN 23 Cb 0.36 -2.46 0.11 0.00 -2.36 0.00 0.00 39.78 35.43 2kzn n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kzn n GLY 24 N -0.64 -0.20 3.79 4.83 0.00 -0.32 -4.96 105.19 107.68 2kzn n GLY 24 Ca -0.09 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 2kzn n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kzn s THR 25 N -2.50 4.64 0.07 2.61 -4.23 -1.26 -4.81 115.64 110.16 2kzn s THR 25 Ca 0.49 -0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 2kzn s THR 25 Cb -0.02 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 2kzn s THR 25 CO 0.33 0.17 1.30 -0.70 -0.54 0.00 0.00 174.62 175.18 2kzn s GLU 26 N -2.29 4.36 0.20 3.99 2.56 -1.26 -5.00 118.70 121.26 2kzn s GLU 26 Ca 0.29 1.91 -0.32 0.00 0.00 0.00 0.00 54.97 56.85 2kzn s GLU 26 Cb -0.12 -3.35 -0.15 0.00 2.00 0.00 0.00 34.13 32.50 2kzn s GLU 26 CO 0.21 -0.38 1.11 -2.30 -0.56 0.00 0.00 175.26 173.34 2kzn n PRO 27 N 4.21 1.18 -1.53 4.30 -0.02 -1.26 -4.80 135.00 137.08 2kzn n PRO 27 Ca 0.11 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.73 2kzn n PRO 27 Cb 0.44 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.51 0.45 0.22 0.52 -0.02 -1.26 -4.76 135.00 131.66 2kzn n PRO 28 Ca 0.14 -0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.48 2kzn n PRO 28 Cb 0.26 -2.59 0.24 0.00 -0.02 0.00 0.00 33.50 31.40 2kzn n PRO 28 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2kzn h PHE 29 N 14.08 0.00 -5.08 6.00 3.57 -2.05 -3.48 116.94 129.98 2kzn h PHE 29 Ca -0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2kzn h PHE 29 Cb 1.16 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.92 2kzn h PHE 29 CO 1.14 0.00 -0.06 1.04 -2.23 0.00 0.00 178.31 178.21 2kzn n GLN 30 N -3.04 -1.21 -4.16 1.11 1.13 -1.26 -5.07 117.38 104.88 2kzn n GLN 30 Ca 0.04 1.33 -0.13 0.00 -1.94 0.00 0.00 57.00 56.30 2kzn n GLN 30 Cb 0.50 -5.24 -0.11 0.00 0.11 0.00 0.00 30.24 25.50 2kzn n GLN 30 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2kzn s ASN 31 N -2.91 1.28 0.00 1.08 3.84 -1.26 -5.04 114.94 111.93 2kzn s ASN 31 Ca 0.03 -0.82 0.20 0.00 0.21 0.00 0.00 52.86 52.48 2kzn s ASN 31 Cb -0.00 0.04 1.11 0.00 -0.55 0.00 0.00 41.25 41.84 2kzn s ASN 31 CO 0.66 -0.31 1.61 -0.62 -2.79 0.00 0.00 177.10 175.65 2kzn n GLU 32 N 0.53 0.46 0.30 0.43 4.71 -1.26 -2.99 120.64 122.82 2kzn n GLU 32 Ca -0.16 0.05 0.19 0.00 -0.01 0.00 0.00 57.16 57.23 2kzn n GLU 32 Cb 0.58 -1.50 1.02 0.00 -1.01 0.00 0.00 31.44 30.53 2kzn n GLU 32 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 2kzn h TYR 33 N 0.00 0.00 0.00 -0.32 3.20 -1.96 -0.59 116.97 117.30 2kzn h TYR 33 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kzn h TYR 33 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2kzn h TYR 33 CO 0.00 0.00 -0.12 -2.67 -1.64 0.00 0.00 178.16 173.73 2kzn n TRP 34 N -3.43 0.00 0.25 -3.82 2.14 -1.16 -4.72 117.44 106.70 2kzn n TRP 34 Ca -0.02 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.67 2kzn n TRP 34 Cb 0.15 0.00 0.10 0.00 -0.81 0.00 0.00 31.31 30.75 2kzn n TRP 34 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2kzn h ASP 35 N 0.00 0.00 -3.62 -0.67 3.32 -1.55 -3.44 116.42 110.46 2kzn h ASP 35 Ca 0.00 -0.04 -0.68 0.00 0.02 0.00 0.00 57.03 56.33 2kzn h ASP 35 Cb 0.00 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.30 2kzn h ASP 35 CO 0.00 0.02 -0.60 -2.28 -1.72 0.00 0.00 179.24 174.67 2kzn s HIS 36 N -3.27 3.17 -0.37 4.55 2.46 -0.25 -5.01 115.29 116.57 2kzn s HIS 36 Ca 0.03 -0.91 -0.02 0.00 0.47 0.00 0.00 55.06 54.63 2kzn s HIS 36 Cb 0.09 -2.29 0.17 0.00 -0.13 0.00 0.00 32.58 30.42 2kzn s HIS 36 CO 0.74 -0.56 2.27 0.36 -2.47 0.00 0.00 174.74 175.07 2kzn n LYS 37 N 4.90 2.02 -1.69 2.88 2.85 -1.26 -4.89 118.16 122.97 2kzn n LYS 37 Ca -0.14 -1.86 -0.39 0.00 -1.05 0.00 0.00 58.31 54.87 2kzn n LYS 37 Cb 0.48 -1.80 0.03 0.00 -0.65 0.00 0.00 35.03 33.09 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2kzn n GLU 38 N 0.49 1.54 -3.84 -1.58 4.07 -1.26 -5.01 120.64 115.05 2kzn n GLU 38 Ca 0.37 0.56 -0.26 0.00 -0.06 0.00 0.00 57.16 57.77 2kzn n GLU 38 Cb 0.58 -2.38 -0.03 0.00 -0.06 0.00 0.00 31.44 29.55 2kzn n GLU 38 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2kzn s GLU 39 N -2.59 3.47 0.00 5.31 4.04 -1.26 -4.80 118.70 122.87 2kzn s GLU 39 Ca 0.69 -0.50 0.00 0.00 0.04 0.00 0.00 54.97 55.20 2kzn s GLU 39 Cb -0.46 -2.91 0.00 0.00 0.02 0.00 0.00 34.13 30.79 2kzn s GLU 39 CO 0.52 0.46 0.00 0.41 -1.84 0.00 0.00 175.26 174.81 2kzn n GLY 40 N -0.65 0.88 3.26 -3.83 0.00 -1.25 -1.27 105.19 102.32 2kzn n GLY 40 Ca -0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 2.33 -0.27 0.99 1.43 -1.11 -1.99 118.68 120.07 2kzn s LEU 41 Ca 0.00 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 2kzn s LEU 41 Cb 0.00 -0.22 0.04 0.00 0.03 0.00 0.00 46.19 46.04 2kzn s LEU 41 CO 0.00 -0.45 -0.05 -0.31 0.23 0.00 0.00 176.35 175.77 2kzn s TYR 42 N -3.47 3.17 0.23 0.29 2.02 -0.11 -1.51 117.35 117.98 2kzn s TYR 42 Ca 0.21 -1.81 0.10 0.00 -0.37 0.00 0.00 57.07 55.20 2kzn s TYR 42 Cb 0.05 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2kzn s TYR 42 CO 0.03 -0.79 -0.18 0.14 -1.57 0.00 0.00 175.55 173.18 2kzn s VAL 43 N 1.26 2.12 -0.42 0.71 -7.23 -0.53 -1.72 120.40 114.58 2kzn s VAL 43 Ca -0.03 -2.25 -0.29 0.00 -1.81 0.00 0.00 61.98 57.60 2kzn s VAL 43 Cb -0.18 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.65 2kzn s VAL 43 CO -0.04 -0.44 1.15 -0.62 -0.31 0.00 0.00 175.10 174.85 2kzn s ASP 44 N -3.27 6.70 0.49 4.85 -1.08 -0.73 -0.79 116.67 122.84 2kzn s ASP 44 Ca 0.25 0.69 0.28 0.00 -0.52 0.00 0.00 52.55 53.26 2kzn s ASP 44 Cb -0.04 -2.55 1.36 0.00 -1.46 0.00 0.00 42.92 40.24 2kzn s ASP 44 CO 0.11 -1.15 1.82 0.40 0.52 0.00 0.00 175.17 176.86 2kzn h ILE 45 N 6.10 0.50 0.00 4.11 2.04 -1.73 0.17 117.51 128.70 2kzn h ILE 45 Ca -0.23 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2kzn h ILE 45 Cb 1.07 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2kzn h ILE 45 CO 1.09 0.03 -0.08 -0.37 0.00 0.00 0.00 178.15 178.82 2kzn h VAL 46 N 0.15 0.75 0.00 1.67 -1.51 -1.91 -3.32 116.25 112.08 2kzn h VAL 46 Ca 0.53 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 2kzn h VAL 46 Cb 1.82 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 2kzn h VAL 46 CO -0.11 0.08 -0.51 -1.54 -1.23 0.00 0.00 177.57 174.26 2kzn n SER 47 N -3.99 2.56 -1.20 4.19 3.41 -0.71 -5.02 113.62 112.86 2kzn n SER 47 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.50 2kzn n SER 47 Cb 0.17 0.33 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kzn n GLY 48 N 1.63 0.20 3.64 5.00 0.00 0.52 -5.03 105.19 111.14 2kzn n GLY 48 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2kzn n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kzn s LYS 49 N -4.85 4.11 0.03 1.61 2.47 -1.18 -4.81 119.74 117.11 2kzn s LYS 49 Ca 0.09 0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 55.09 2kzn s LYS 49 Cb -0.04 -3.68 -0.09 0.00 -1.46 0.00 0.00 37.83 32.56 2kzn s LYS 49 CO 0.11 -0.62 1.98 -1.25 0.16 0.00 0.00 175.35 175.74 2kzn s PRO 50 N 2.99 4.10 -0.02 4.03 0.04 -1.26 -1.78 135.00 143.10 2kzn s PRO 50 Ca 0.36 2.59 0.02 0.00 0.04 0.00 0.00 61.00 64.01 2kzn s PRO 50 Cb -0.15 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 2kzn s PRO 50 CO 0.10 -1.01 0.01 1.28 0.04 0.00 0.00 177.00 177.42 2kzn n LEU 51 N 7.72 0.00 -3.55 -3.56 4.77 -0.73 -4.61 117.00 117.04 2kzn n LEU 51 Ca 0.20 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2kzn n LEU 51 Cb 0.41 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2kzn n LEU 51 CO 0.68 0.06 0.45 0.12 -1.33 0.00 0.00 177.39 177.37 2kzn s PHE 52 N -2.08 -0.42 0.06 -1.77 5.36 -0.70 -0.97 117.98 117.46 2kzn s PHE 52 Ca -0.01 0.15 0.07 0.00 -0.96 0.00 0.00 56.93 56.17 2kzn s PHE 52 Cb 0.01 0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 43.25 2kzn s PHE 52 CO 0.11 -0.93 -0.15 -0.08 -1.46 0.00 0.00 175.22 172.71 2kzn s THR 53 N -3.73 3.03 -0.57 0.12 -1.32 -1.26 -0.93 115.64 110.97 2kzn s THR 53 Ca 0.04 -1.19 0.25 0.00 -1.21 0.00 0.00 61.69 59.59 2kzn s THR 53 Cb -0.02 -2.32 0.28 0.00 -1.51 0.00 0.00 72.50 68.92 2kzn s THR 53 CO -0.07 0.27 1.75 -1.28 -2.21 0.00 0.00 174.62 173.08 2kzn h SER 54 N 4.25 0.00 -0.85 8.08 0.87 -1.69 -3.08 113.55 121.13 2kzn h SER 54 Ca -0.48 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.17 2kzn h SER 54 Cb 1.16 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.05 2kzn h SER 54 CO 0.49 0.00 0.49 0.50 -0.53 0.00 0.00 176.83 177.78 2kzn h LYS 55 N 0.00 0.81 -0.43 2.24 3.64 -1.96 -2.86 116.57 118.00 2kzn h LYS 55 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kzn h LYS 55 Cb 0.57 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2kzn h LYS 55 CO 0.00 0.54 0.00 -0.25 -2.27 0.00 0.00 179.45 177.47 2kzn n ASP 56 N -4.72 4.87 -4.72 4.20 8.00 -1.17 -5.03 116.55 117.99 2kzn n ASP 56 Ca 0.14 -2.97 -0.42 0.00 0.71 0.00 0.00 54.79 52.26 2kzn n ASP 56 Cb 0.27 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kzn s LYS 57 N -2.78 4.32 0.32 -1.24 2.36 -1.08 -5.03 119.74 116.62 2kzn s LYS 57 Ca 0.49 2.11 0.07 0.00 -2.55 0.00 0.00 55.97 56.09 2kzn s LYS 57 Cb 0.38 -3.22 -0.03 0.00 -1.05 0.00 0.00 37.83 33.91 2kzn s LYS 57 CO 0.13 -0.40 0.27 0.12 1.55 0.00 0.00 175.35 177.01 2kzn s PHE 58 N 0.79 2.92 0.58 4.03 5.36 -1.26 -5.08 117.98 125.31 2kzn s PHE 58 Ca 0.63 -0.28 -0.17 0.00 -0.96 0.00 0.00 56.93 56.15 2kzn s PHE 58 Cb -0.38 -1.73 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 2kzn s PHE 58 CO 0.33 0.24 1.07 0.34 -1.46 0.00 0.00 175.22 175.74 2kzn s ASP 59 N -3.96 5.81 -1.27 6.13 2.15 -1.26 -4.85 116.67 119.41 2kzn s ASP 59 Ca 0.39 1.89 -0.19 0.00 0.43 0.00 0.00 52.55 55.08 2kzn s ASP 59 Cb -0.06 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2kzn s ASP 59 CO 0.26 -1.15 1.77 -0.44 -0.17 0.00 0.00 175.17 175.44 2kzn s SER 60 N -2.51 6.48 0.42 -0.34 0.01 -1.26 -4.35 113.70 112.15 2kzn s SER 60 Ca 0.66 -2.27 0.10 0.00 1.31 0.00 0.00 55.95 55.75 2kzn s SER 60 Cb -0.17 -2.58 0.91 0.00 0.21 0.00 0.00 66.02 64.39 2kzn s SER 60 CO 0.33 -1.55 2.02 -0.61 0.41 0.00 0.00 173.24 173.84 2kzn h GLN 61 N 8.05 0.30 -0.08 12.44 5.75 -1.94 -2.76 115.11 136.88 2kzn h GLN 61 Ca 0.40 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 2kzn h GLN 61 Cb 0.89 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.38 2kzn h GLN 61 CO 1.41 0.29 0.00 0.00 -2.65 0.00 0.00 178.83 177.89 2kzn n GLY 63 N -0.61 2.70 3.82 0.00 0.00 -1.04 -5.02 105.19 105.05 2kzn n GLY 63 Ca 0.09 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.57 3.52 0.18 1.61 0.51 -1.26 -4.69 118.94 117.23 2kzn s TRP 64 Ca 0.00 0.45 -0.30 0.00 -2.12 0.00 0.00 56.10 54.12 2kzn s TRP 64 Cb 0.00 -1.99 -0.08 0.00 -0.81 0.00 0.00 33.47 30.59 2kzn s TRP 64 CO 0.00 0.60 1.30 -1.25 -0.51 0.00 0.00 176.95 177.09 2kzn s PRO 65 N -0.64 4.39 -0.03 4.98 0.04 -1.24 -3.94 135.00 138.56 2kzn s PRO 65 Ca 0.13 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2kzn s PRO 65 Cb -0.12 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kzn s PRO 65 CO 0.02 -0.26 -0.04 -1.54 0.04 0.00 0.00 177.00 175.22 2kzn s SER 66 N 0.46 0.74 0.36 6.66 1.04 -1.26 -2.81 113.70 118.89 2kzn s SER 66 Ca 0.57 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.76 2kzn s SER 66 Cb -0.36 -0.28 0.04 0.00 0.10 0.00 0.00 66.02 65.53 2kzn s SER 66 CO 0.36 -0.02 0.73 0.12 0.98 0.00 0.00 173.24 175.42 2kzn s PHE 67 N 0.58 0.20 -0.01 5.02 5.36 -1.11 -4.84 117.98 123.18 2kzn s PHE 67 Ca -0.07 -0.78 -0.06 0.00 -0.96 0.00 0.00 56.93 55.06 2kzn s PHE 67 Cb -0.10 0.69 -0.29 0.00 -0.34 0.00 0.00 43.02 42.98 2kzn s PHE 67 CO -0.00 -1.46 0.82 1.79 -1.46 0.00 0.00 175.22 174.91 2kzn h THR 68 N 2.02 1.10 -3.80 0.12 1.35 -1.90 -2.18 112.91 109.63 2kzn h THR 68 Ca -0.30 -2.71 -0.67 0.00 -0.55 0.00 0.00 66.41 62.19 2kzn h THR 68 Cb 1.25 2.79 -0.37 0.00 -1.73 0.00 0.00 68.15 70.09 2kzn h THR 68 CO 0.38 0.83 -0.80 -1.59 -0.25 0.00 0.00 175.52 174.08 2kzn s LYS 69 N -2.61 2.29 0.60 4.72 -2.85 -1.26 -4.71 119.74 115.92 2kzn s LYS 69 Ca -0.11 -1.30 -0.03 0.00 -1.00 0.00 0.00 55.97 53.53 2kzn s LYS 69 Cb 0.06 -2.86 0.12 0.00 -2.06 0.00 0.00 37.83 33.10 2kzn s LYS 69 CO 0.86 -0.54 0.82 -0.35 0.10 0.00 0.00 175.35 176.24 2kzn n PRO 70 N 4.45 -0.19 -2.75 1.78 -0.04 -1.26 -4.92 135.00 132.06 2kzn n PRO 70 Ca -0.15 -1.95 -0.42 0.00 -0.04 0.00 0.00 63.50 60.94 2kzn n PRO 70 Cb 0.43 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 33.22 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 -2.52 4.14 -0.43 0.52 1.01 -0.14 -4.88 121.20 118.90 2kzn s ILE 71 Ca 0.52 -0.23 0.26 0.00 0.00 0.00 0.00 60.65 61.20 2kzn s ILE 71 Cb -0.03 -4.78 0.29 0.00 0.01 0.00 0.00 42.46 37.95 2kzn s ILE 71 CO 0.35 -1.61 1.77 1.05 0.00 0.00 0.00 174.94 176.50 2kzn h GLU 72 N 9.67 0.00 -0.26 2.79 4.11 -1.89 -2.79 114.58 126.22 2kzn h GLU 72 Ca -0.23 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.21 2kzn h GLU 72 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2kzn h GLU 72 CO 1.22 0.00 0.16 0.93 0.07 0.00 0.00 179.01 181.39 2kzn h GLU 73 N 0.00 0.32 -0.01 1.06 4.39 -1.93 -3.31 114.58 115.10 2kzn h GLU 73 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kzn h GLU 73 Cb 0.53 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kzn h GLU 73 CO 0.00 0.21 -0.12 0.39 -1.16 0.00 0.00 179.01 178.33 2kzn n GLU 74 N -4.93 1.99 -3.07 2.33 -0.58 -1.19 -4.97 120.64 110.22 2kzn n GLU 74 Ca -0.02 -0.55 -0.39 0.00 -0.42 0.00 0.00 57.16 55.78 2kzn n GLU 74 Cb 0.04 -1.00 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 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 -1.00 4.66 -0.07 2.62 1.01 -1.06 -4.83 120.40 121.74 2kzn s VAL 75 Ca 0.06 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.61 2kzn s VAL 75 Cb 0.05 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2kzn s VAL 75 CO 0.16 0.45 -0.23 -0.70 0.00 0.00 0.00 175.10 174.77 2kzn s GLU 76 N -0.56 2.57 0.27 2.72 2.56 -1.26 -4.86 118.70 120.13 2kzn s GLU 76 Ca 0.35 -0.85 -0.07 0.00 0.00 0.00 0.00 54.97 54.40 2kzn s GLU 76 Cb -0.21 -2.10 -0.06 0.00 2.00 0.00 0.00 34.13 33.76 2kzn s GLU 76 CO 0.22 0.30 0.56 -1.83 -0.56 0.00 0.00 175.26 173.95 2kzn s GLU 77 N 0.02 3.71 -0.24 4.30 -1.05 -1.26 -0.92 118.70 123.25 2kzn s GLU 77 Ca -0.08 0.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.86 2kzn s GLU 77 Cb -0.15 -2.64 0.12 0.00 -0.44 0.00 0.00 34.13 31.02 2kzn s GLU 77 CO 0.05 0.25 0.27 0.21 0.95 0.00 0.00 175.26 176.99 2kzn s LYS 78 N -3.23 0.27 0.53 -4.83 2.20 -0.29 -4.86 119.74 109.52 2kzn s LYS 78 Ca 0.46 0.13 -0.20 0.00 -0.36 0.00 0.00 55.97 55.99 2kzn s LYS 78 Cb -0.11 -0.88 -0.06 0.00 -1.51 0.00 0.00 37.83 35.27 2kzn s LYS 78 CO 0.26 -0.79 1.14 -1.17 -0.36 0.00 0.00 175.35 174.43 2kzn s LEU 79 N 2.38 3.81 -0.04 5.43 2.96 -1.26 -0.87 118.68 131.08 2kzn s LEU 79 Ca 0.09 2.22 -0.06 0.00 -0.22 0.00 0.00 54.13 56.16 2kzn s LEU 79 Cb -0.15 -4.50 0.01 0.00 0.50 0.00 0.00 46.19 42.05 2kzn s LEU 79 CO -0.21 -1.17 0.15 -0.62 -1.32 0.00 0.00 176.35 173.18 2kzn s ASP 80 N -1.66 -0.10 -0.01 3.68 2.15 0.15 -4.91 116.67 115.98 2kzn s ASP 80 Ca 0.71 0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.85 2kzn s ASP 80 Cb -0.25 0.28 0.03 0.00 -0.30 0.00 0.00 42.92 42.68 2kzn s ASP 80 CO 0.29 -0.16 1.02 0.35 -0.17 0.00 0.00 175.17 176.50 2kzn n THR 81 N 2.49 0.17 0.55 1.71 -2.24 -1.25 -1.41 114.28 114.30 2kzn n THR 81 Ca -0.16 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2kzn n THR 81 Cb 0.58 0.44 0.42 0.00 -2.10 0.00 0.00 70.33 69.67 2kzn n THR 81 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2kzn h SER 82 N 0.02 0.00 -0.56 3.42 0.87 -1.97 -1.76 113.55 113.58 2kzn h SER 82 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kzn h SER 82 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2kzn h SER 82 CO 0.00 0.00 0.00 1.57 -0.53 0.00 0.00 176.83 177.87 2kzn n HIS 83 N -2.31 0.75 -0.96 2.24 -0.00 -1.26 -4.90 115.22 108.77 2kzn n HIS 83 Ca 0.05 -0.37 0.00 0.00 -0.00 0.00 0.00 57.72 57.39 2kzn n HIS 83 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 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 1.41 0.48 3.25 1.57 0.00 -0.66 -5.01 105.19 106.23 2kzn n GLY 84 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.45 1.04 -0.00 1.61 -1.94 -1.25 -5.08 119.30 113.23 2kzn s MET 85 Ca 0.00 -1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 52.50 2kzn s MET 85 Cb 0.00 -1.09 -0.06 0.00 2.01 0.00 0.00 34.83 35.70 2kzn s MET 85 CO 0.00 0.23 1.43 0.42 -0.01 0.00 0.00 175.02 177.09 2kzn s ILE 86 N -1.65 3.66 -0.11 2.53 -1.09 -1.26 -3.93 121.20 119.34 2kzn s ILE 86 Ca 0.07 1.03 -0.09 0.00 -2.23 0.00 0.00 60.65 59.43 2kzn s ILE 86 Cb -0.08 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2kzn s ILE 86 CO 0.04 -0.01 0.28 -0.60 -1.23 0.00 0.00 174.94 173.42 2kzn s ARG 87 N 2.52 0.31 -0.08 2.79 3.52 -0.50 -4.85 118.95 122.67 2kzn s ARG 87 Ca 0.65 0.45 0.04 0.00 -0.13 0.00 0.00 55.73 56.74 2kzn s ARG 87 Cb -0.32 0.09 -0.00 0.00 -1.56 0.00 0.00 34.95 33.16 2kzn s ARG 87 CO 0.27 -0.07 -0.21 0.99 -0.81 0.00 0.00 175.30 175.47 2kzn s THR 88 N 0.45 1.79 -0.13 4.11 2.01 -1.22 0.33 115.64 122.98 2kzn s THR 88 Ca -0.02 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.11 2kzn s THR 88 Cb -0.04 -1.55 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 2kzn s THR 88 CO -0.02 0.50 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.52 2kzn s GLU 89 N 0.24 3.15 -0.21 4.92 2.12 -0.05 -0.60 118.70 128.27 2kzn s GLU 89 Ca -0.13 -0.80 -0.17 0.00 0.36 0.00 0.00 54.97 54.23 2kzn s GLU 89 Cb -0.16 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 2kzn s GLU 89 CO 0.06 0.09 0.45 0.14 -0.54 0.00 0.00 175.26 175.46 2kzn s VAL 90 N 0.60 5.15 -0.29 3.70 -7.23 0.07 -1.13 120.40 121.27 2kzn s VAL 90 Ca -0.11 0.81 -0.15 0.00 -1.81 0.00 0.00 61.98 60.72 2kzn s VAL 90 Cb -0.16 -3.78 0.13 0.00 0.56 0.00 0.00 36.38 33.13 2kzn s VAL 90 CO 0.03 0.20 0.87 0.00 -0.31 0.00 0.00 175.10 175.89 2kzn s ARG 91 N 1.58 0.47 0.54 4.82 1.70 -0.10 -1.90 118.95 126.07 2kzn s ARG 91 Ca 0.21 0.91 -0.08 0.00 -0.47 0.00 0.00 55.73 56.30 2kzn s ARG 91 Cb -0.15 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 2kzn s ARG 91 CO 0.09 -0.11 0.89 0.45 -1.08 0.00 0.00 175.30 175.53 2kzn s SER 92 N 1.78 6.26 0.03 -2.89 0.15 -1.23 -4.48 113.70 113.32 2kzn s SER 92 Ca -0.08 1.15 0.01 0.00 0.70 0.00 0.00 55.95 57.73 2kzn s SER 92 Cb -0.05 -2.35 -0.26 0.00 -1.71 0.00 0.00 66.02 61.65 2kzn s SER 92 CO -0.17 -0.69 0.95 -0.09 1.20 0.00 0.00 173.24 174.44 2kzn h ARG 93 N 0.05 0.17 0.00 5.44 2.43 -1.97 -2.90 114.38 117.61 2kzn h ARG 93 Ca -0.46 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 2kzn h ARG 93 Cb 1.20 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2kzn h ARG 93 CO 0.62 1.03 -0.08 1.15 -1.51 0.00 0.00 179.97 181.18 2kzn h THR 94 N 0.05 0.00 0.00 0.20 2.02 -2.04 -3.47 112.91 109.67 2kzn h THR 94 Ca -0.19 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2kzn h THR 94 Cb 1.96 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2kzn h THR 94 CO 0.15 0.00 -0.99 0.00 0.37 0.00 0.00 175.52 175.05 2kzn n ALA 95 N -2.50 2.20 1.29 6.16 0.00 -1.26 -4.87 120.51 121.53 2kzn n ALA 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kzn n ALA 95 Cb 0.04 0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.59 0.61 0.00 0.00 8.00 -1.26 -4.38 116.55 116.94 2kzn n ASP 96 Ca 0.00 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.59 2kzn n ASP 96 Cb 0.49 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.16 0.00 0.00 -2.24 3.41 -1.09 -2.84 113.62 110.70 2kzn n SER 97 Ca 0.00 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2kzn n SER 97 Cb 0.15 -0.36 0.69 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.36 0.00 0.00 7.33 8.25 -1.26 -4.58 115.22 123.60 2kzn n HIS 98 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kzn n HIS 98 Cb 0.01 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.17 0.00 0.00 2.41 4.77 -1.13 -4.71 117.00 117.17 2kzn n LEU 99 Ca 0.15 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 2kzn n LEU 99 Cb 0.15 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2kzn n LEU 99 CO 0.17 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2kzn n GLY 100 N -0.77 -0.26 3.47 -0.72 0.00 -0.80 -3.12 105.19 102.99 2kzn n GLY 100 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.02 2.33 0.03 1.61 -3.43 -1.09 -0.75 115.29 110.97 2kzn s HIS 101 Ca 0.00 -0.33 0.05 0.00 -0.80 0.00 0.00 55.06 53.99 2kzn s HIS 101 Cb 0.00 -1.05 -0.02 0.00 -1.43 0.00 0.00 32.58 30.08 2kzn s HIS 101 CO 0.00 0.65 -0.16 0.14 -2.00 0.00 0.00 174.74 173.38 2kzn s VAL 102 N -2.27 1.25 0.00 -5.38 -7.23 0.23 -0.84 120.40 106.16 2kzn s VAL 102 Ca 0.28 -0.98 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 2kzn s VAL 102 Cb -0.06 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2kzn s VAL 102 CO 0.14 0.10 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.44 2kzn s PHE 103 N -0.76 2.43 -0.72 2.82 0.08 -0.66 -3.38 117.98 117.79 2kzn s PHE 103 Ca 0.04 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.80 2kzn s PHE 103 Cb -0.08 -1.49 0.39 0.00 -0.57 0.00 0.00 43.02 41.27 2kzn s PHE 103 CO 0.01 0.08 1.11 -1.71 -0.10 0.00 0.00 175.22 174.62 2kzn n ASN 104 N 2.12 3.20 -1.10 1.36 2.85 -1.26 -1.34 115.26 121.09 2kzn n ASN 104 Ca -0.16 -2.42 0.09 0.00 -0.11 0.00 0.00 54.58 51.97 2kzn n ASN 104 Cb 0.52 -0.57 0.26 0.00 1.24 0.00 0.00 39.78 41.23 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kzn n ASP 105 N 0.32 3.19 -3.97 1.20 2.03 -1.26 -4.91 116.55 113.14 2kzn n ASP 105 Ca 0.13 -2.05 -0.13 0.00 0.52 0.00 0.00 54.79 53.26 2kzn n ASP 105 Cb 0.68 -0.40 -0.13 0.00 -0.72 0.00 0.00 41.12 40.55 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kzn s GLY 106 N -0.97 0.28 0.08 0.27 0.00 -1.26 -5.12 107.32 100.60 2kzn s GLY 106 Ca 0.39 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 2kzn s GLY 106 CO 0.25 -0.39 1.07 2.56 0.00 0.00 0.00 173.10 176.59 2kzn s PRO 107 N -0.68 4.56 0.00 2.90 0.04 -1.26 -4.51 135.00 136.04 2kzn s PRO 107 Ca -0.04 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 2kzn s PRO 107 Cb -0.05 -3.37 0.10 0.00 0.04 0.00 0.00 34.50 31.22 2kzn s PRO 107 CO -0.00 -0.03 0.92 0.20 0.04 0.00 0.00 177.00 178.13 2kzn s GLY 108 N 0.58 -0.43 0.26 0.56 0.00 -1.26 -4.93 107.32 102.10 2kzn s GLY 108 Ca 0.52 0.93 -0.03 0.00 0.00 0.00 0.00 44.72 46.15 2kzn s GLY 108 CO 0.30 0.30 1.87 -2.55 0.00 0.00 0.00 173.10 173.03 2kzn h PRO 109 N 2.00 1.08 0.00 2.90 0.11 -1.91 -1.75 132.00 134.43 2kzn h PRO 109 Ca -0.22 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2kzn h PRO 109 Cb 1.24 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2kzn h PRO 109 CO 0.30 0.72 -0.55 -2.95 -0.21 0.00 0.00 178.00 175.30 2kzn h ASN 110 N 1.11 0.00 0.00 -2.05 -1.07 -1.97 -3.48 115.58 108.13 2kzn h ASN 110 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 2kzn h ASN 110 Cb 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 2kzn h ASN 110 CO -0.18 0.36 0.00 0.61 0.07 0.00 0.00 177.43 178.28 2kzn n GLY 111 N 1.22 0.79 3.60 9.14 0.00 -0.66 -5.05 105.19 114.23 2kzn n GLY 111 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 3.09 -0.23 0.99 1.43 -1.26 -4.39 118.68 118.30 2kzn s LEU 112 Ca 0.00 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2kzn s LEU 112 Cb 0.00 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2kzn s LEU 112 CO 0.00 0.11 0.01 -0.13 0.23 0.00 0.00 176.35 176.57 2kzn s ARG 113 N -2.75 1.07 0.33 1.70 1.81 -0.45 -4.55 118.95 116.11 2kzn s ARG 113 Ca 0.25 -0.78 -0.27 0.00 -1.72 0.00 0.00 55.73 53.20 2kzn s ARG 113 Cb -0.09 -2.31 -0.09 0.00 -0.45 0.00 0.00 34.95 32.00 2kzn s ARG 113 CO 0.16 -0.68 1.11 1.52 -0.68 0.00 0.00 175.30 176.72 2kzn s TYR 114 N 1.61 3.40 -0.32 -0.53 -0.85 -0.82 -1.66 117.35 118.19 2kzn s TYR 114 Ca -0.01 1.65 -0.01 0.00 -0.52 0.00 0.00 57.07 58.19 2kzn s TYR 114 Cb -0.18 -3.28 0.10 0.00 0.38 0.00 0.00 41.96 38.99 2kzn s TYR 114 CO -0.10 -0.74 0.11 0.00 -1.52 0.00 0.00 175.55 173.30 2kzn s ILE 116 N 1.52 5.37 0.37 0.00 -1.09 -1.12 -2.66 121.20 123.60 2kzn s ILE 116 Ca 0.11 -0.06 -0.21 0.00 -2.23 0.00 0.00 60.65 58.25 2kzn s ILE 116 Cb -0.18 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.04 2kzn s ILE 116 CO -0.23 0.30 0.90 0.54 -1.23 0.00 0.00 174.94 175.22 2kzn s ASN 117 N -1.95 7.02 0.42 3.58 2.20 -1.18 -3.59 114.94 121.44 2kzn s ASN 117 Ca 0.29 1.64 0.18 0.00 -0.94 0.00 0.00 52.86 54.02 2kzn s ASN 117 Cb -0.13 -2.51 0.95 0.00 -2.00 0.00 0.00 41.25 37.56 2kzn s ASN 117 CO 0.19 -0.24 1.90 -1.28 -2.94 0.00 0.00 177.10 174.74 2kzn h SER 118 N 2.37 0.00 1.51 3.54 0.87 -1.89 -3.01 113.55 116.94 2kzn h SER 118 Ca -0.48 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2kzn h SER 118 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2kzn h SER 118 CO 0.63 0.28 -0.26 0.00 -0.53 0.00 0.00 176.83 176.94 2kzn h ALA 119 N 1.72 0.86 0.00 6.23 0.00 -1.93 -3.11 119.26 123.04 2kzn h ALA 119 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kzn h ALA 119 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kzn h ALA 119 CO 0.04 0.33 -0.36 0.00 0.00 0.00 0.00 179.25 179.26 2kzn h ALA 120 N 1.74 0.81 -2.73 0.00 0.00 -1.84 -3.45 119.26 113.80 2kzn h ALA 120 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2kzn h ALA 120 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2kzn h ALA 120 CO 0.03 0.00 -0.34 -0.51 0.00 0.00 0.00 179.25 178.43 2kzn s LEU 121 N -5.55 4.32 -0.17 0.00 1.43 -1.18 -2.04 118.68 115.50 2kzn s LEU 121 Ca 0.05 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2kzn s LEU 121 Cb 0.08 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.34 2kzn s LEU 121 CO 0.70 0.15 0.01 -0.60 0.23 0.00 0.00 176.35 176.84 2kzn s ARG 122 N -2.21 0.83 -0.32 1.70 6.06 0.03 -4.82 118.95 120.23 2kzn s ARG 122 Ca 0.35 -0.37 -0.28 0.00 -2.50 0.00 0.00 55.73 52.93 2kzn s ARG 122 Cb -0.13 -1.91 0.01 0.00 0.06 0.00 0.00 34.95 32.99 2kzn s ARG 122 CO 0.21 -0.54 1.02 -0.59 -2.50 0.00 0.00 175.30 172.90 2kzn s PHE 123 N 1.82 3.16 -0.19 5.12 -0.71 -1.26 -1.46 117.98 124.45 2kzn s PHE 123 Ca 0.00 1.11 -0.04 0.00 -1.04 0.00 0.00 56.93 56.97 2kzn s PHE 123 Cb -0.16 -3.61 -0.02 0.00 -1.21 0.00 0.00 43.02 38.03 2kzn s PHE 123 CO -0.07 -0.74 -0.04 0.08 -1.34 0.00 0.00 175.22 173.11 2kzn s VAL 124 N 3.52 3.53 0.26 -2.49 1.01 -0.57 -4.98 120.40 120.68 2kzn s VAL 124 Ca 0.43 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2kzn s VAL 124 Cb -0.12 -2.58 -0.13 0.00 0.00 0.00 0.00 36.38 33.54 2kzn s VAL 124 CO 0.15 0.45 1.32 -0.81 0.00 0.00 0.00 175.10 176.21 2kzn n PRO 125 N 4.33 1.89 -0.28 2.72 -0.04 -1.25 -2.75 135.00 139.62 2kzn n PRO 125 Ca -0.18 0.67 0.18 0.00 -0.04 0.00 0.00 63.50 64.14 2kzn n PRO 125 Cb 0.52 -2.27 0.47 0.00 -0.04 0.00 0.00 33.50 32.18 2kzn n PRO 125 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kzn h LYS 126 N 3.59 0.46 -0.29 0.54 3.64 -1.56 0.36 116.57 123.31 2kzn h LYS 126 Ca -0.44 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 2kzn h LYS 126 Cb 1.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2kzn h LYS 126 CO 0.71 0.31 -0.28 1.25 -2.27 0.00 0.00 179.45 179.17 2kzn h HIS 127 N 0.48 0.67 -0.00 1.91 2.76 -1.91 -3.14 115.15 115.92 2kzn h HIS 127 Ca 0.51 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2kzn h HIS 127 Cb 1.16 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2kzn h HIS 127 CO -0.00 0.80 -0.49 1.17 -1.30 0.00 0.00 177.93 178.11 2kzn n LYS 128 N -4.10 0.41 -0.05 5.26 4.81 -0.05 -3.62 118.16 120.81 2kzn n LYS 128 Ca -0.00 -0.27 -0.08 0.00 -0.87 0.00 0.00 58.31 57.08 2kzn n LYS 128 Cb 0.44 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.98 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2kzn h LEU 129 N 0.66 -0.02 -1.52 3.14 3.38 -1.03 -0.13 115.31 119.78 2kzn h LEU 129 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kzn h LEU 129 Cb 0.53 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2kzn h LEU 129 CO 0.00 0.02 0.18 0.50 0.09 0.00 0.00 178.44 179.23 2kzn h LYS 130 N 0.12 0.50 -0.20 1.13 3.64 -1.71 0.18 116.57 120.22 2kzn h LYS 130 Ca 0.11 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 2kzn h LYS 130 Cb 0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2kzn h LYS 130 CO -0.15 0.39 -0.66 1.49 -2.27 0.00 0.00 179.45 178.25 2kzn h GLU 131 N 0.51 0.77 -0.32 1.90 4.57 -1.63 -3.21 114.58 117.16 2kzn h GLU 131 Ca 0.13 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2kzn h GLU 131 Cb 0.05 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2kzn h GLU 131 CO -0.02 1.17 0.00 0.39 -1.18 0.00 0.00 179.01 179.37 2kzn n GLU 132 N -3.96 2.25 -2.25 1.92 1.02 -0.09 -4.95 120.64 114.58 2kzn n GLU 132 Ca -0.05 -1.89 -0.08 0.00 -0.02 0.00 0.00 57.16 55.11 2kzn n GLU 132 Cb 0.68 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kzn n GLY 133 N 1.38 0.07 2.47 0.62 0.00 0.22 -4.94 105.19 105.02 2kzn n GLY 133 Ca 0.18 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.94 3.14 0.13 1.61 4.01 0.37 -4.68 117.16 117.80 2kzn n TYR 134 Ca -0.08 -2.79 0.08 0.00 -0.16 0.00 0.00 57.90 54.94 2kzn n TYR 134 Cb 0.57 -1.27 0.40 0.00 -0.31 0.00 0.00 39.34 38.73 2kzn n TYR 134 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2kzn n GLU 135 N -0.79 0.10 -0.24 -0.72 0.28 -1.26 -2.30 120.64 115.70 2kzn n GLU 135 Ca 0.59 0.58 0.05 0.00 -0.16 0.00 0.00 57.16 58.21 2kzn n GLU 135 Cb 0.57 -1.91 0.16 0.00 1.43 0.00 0.00 31.44 31.69 2kzn n GLU 135 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2kzn h SER 136 N 0.00 -0.15 -0.66 -1.84 0.02 -1.96 -1.11 113.55 107.85 2kzn h SER 136 Ca 0.00 0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2kzn h SER 136 Cb 0.18 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2kzn h SER 136 CO 0.00 -0.10 0.16 0.22 -1.14 0.00 0.00 176.83 175.97 2kzn h TYR 137 N 0.18 1.11 0.00 3.45 3.20 -1.87 0.18 116.97 123.23 2kzn h TYR 137 Ca 0.40 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2kzn h TYR 137 Cb 0.69 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2kzn h TYR 137 CO -0.33 0.92 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.98 2kzn h LEU 138 N 0.99 0.00 0.06 2.82 4.07 -1.50 0.13 115.31 121.88 2kzn h LEU 138 Ca 0.21 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.85 2kzn h LEU 138 Cb 0.36 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 2kzn h LEU 138 CO 0.00 0.06 -1.79 -0.74 -1.08 0.00 0.00 178.44 174.89 2kzn h HIS 139 N 0.00 0.25 -0.02 1.13 2.76 -0.77 -3.28 115.15 115.22 2kzn h HIS 139 Ca -0.00 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 2kzn h HIS 139 Cb 0.29 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 2kzn h HIS 139 CO 0.00 1.35 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.90 2kzn h LEU 140 N 0.04 0.04 -0.36 0.26 3.38 0.64 -3.23 115.31 116.09 2kzn h LEU 140 Ca -0.33 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.07 2kzn h LEU 140 Cb 2.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2kzn h LEU 140 CO 0.09 0.49 -0.20 0.15 0.09 0.00 0.00 178.44 179.06 2kzn h PHE 141 N -0.41 0.90 -2.68 1.13 3.57 -1.06 -3.36 116.94 115.04 2kzn h PHE 141 Ca 0.00 -0.23 -0.77 0.00 3.53 0.00 0.00 57.97 60.50 2kzn h PHE 141 Cb 0.47 -0.20 -0.22 0.00 2.79 0.00 0.00 35.95 38.79 2kzn h PHE 141 CO 0.08 0.98 1.04 -1.71 -2.23 0.00 0.00 178.31 176.47 2kzn n ASN 142 N -4.27 5.40 -3.86 0.41 5.15 -1.22 -4.88 115.26 111.99 2kzn n ASN 142 Ca -0.02 -3.04 -0.42 0.00 -0.60 0.00 0.00 54.58 50.49 2kzn n ASN 142 Cb 0.43 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 2kzn n ASN 142 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2kzn n LYS 143 N 4.12 3.65 -1.84 1.20 2.85 -1.24 -4.61 118.16 122.29 2kzn n LYS 143 Ca 0.32 -3.55 -0.42 0.00 -1.05 0.00 0.00 58.31 53.61 2kzn n LYS 143 Cb 0.40 -2.91 -0.03 0.00 -0.65 0.00 0.00 35.03 31.84 2kzn n LYS 143 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kzn s LEU 144 N -0.22 4.38 -0.60 -5.58 1.98 -1.26 -4.87 118.68 112.50 2kzn s LEU 144 Ca 0.39 2.64 -0.26 0.00 -2.89 0.00 0.00 54.13 54.01 2kzn s LEU 144 Cb 0.10 -3.57 -0.08 0.00 0.66 0.00 0.00 46.19 43.29 2kzn s LEU 144 CO 0.01 -0.92 2.33 -1.61 -1.89 0.00 0.00 176.35 174.26 2kzn s GLU 145 N 2.23 2.05 -0.29 1.98 2.02 -1.26 -4.89 118.70 120.54 2kzn s GLU 145 Ca 0.75 1.01 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 2kzn s GLU 145 Cb -0.44 -4.64 -0.02 0.00 0.10 0.00 0.00 34.13 29.14 2kzn s GLU 145 CO 0.33 -3.52 1.79 -3.38 0.02 0.00 0.00 175.26 170.50 2kzn s HIS 146 N 12.43 1.82 0.00 1.61 -3.43 -1.26 -5.34 115.29 121.12 2kzn s HIS 146 Ca 0.92 0.57 0.00 0.00 -0.80 0.00 0.00 55.06 55.75 2kzn s HIS 146 Cb -0.15 -4.10 0.00 0.00 -1.43 0.00 0.00 32.58 26.90 2kzn s HIS 146 CO 0.20 -3.08 0.00 1.58 -2.00 0.00 0.00 174.74 171.44