#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzn s ALA 2 N 0.00 3.93 -0.95 3.04 0.00 -1.26 -5.04 121.76 121.47 2kzn s ALA 2 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 51.96 49.95 2kzn s ALA 2 Cb 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2kzn s ALA 2 CO 0.00 -0.10 1.72 0.71 0.00 0.00 0.00 175.76 178.09 2kzn s TYR 3 N -2.39 2.13 0.37 0.00 2.02 -1.26 -4.97 117.35 113.25 2kzn s TYR 3 Ca 0.44 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.97 2kzn s TYR 3 Cb -0.04 -4.34 -0.08 0.00 -0.40 0.00 0.00 41.96 37.09 2kzn s TYR 3 CO 0.27 -1.84 0.77 -0.80 -1.57 0.00 0.00 175.55 172.39 2kzn s ASN 4 N 6.64 6.69 0.13 2.29 -0.87 -1.26 -4.99 114.94 123.57 2kzn s ASN 4 Ca 0.59 1.27 -0.20 0.00 -1.57 0.00 0.00 52.86 52.96 2kzn s ASN 4 Cb -0.04 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.79 2kzn s ASN 4 CO -0.05 -0.30 1.72 0.11 -2.57 0.00 0.00 177.10 176.02 2kzn h LYS 5 N 1.84 0.06 -0.96 -0.60 1.57 -2.00 -1.72 116.57 114.77 2kzn h LYS 5 Ca -0.48 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2kzn h LYS 5 Cb 1.18 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 2kzn h LYS 5 CO 0.64 0.04 0.60 1.05 -0.57 0.00 0.00 179.45 181.21 2kzn h GLU 6 N 0.06 1.29 -0.49 3.15 4.11 -1.99 -0.55 114.58 120.16 2kzn h GLU 6 Ca 0.09 -0.10 0.02 0.00 0.07 0.00 0.00 59.36 59.44 2kzn h GLU 6 Cb 0.12 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2kzn h GLU 6 CO -0.16 0.88 0.29 1.49 0.07 0.00 0.00 179.01 181.59 2kzn h GLU 7 N 1.31 0.56 0.10 1.06 4.81 -1.88 -2.40 114.58 118.15 2kzn h GLU 7 Ca 0.35 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2kzn h GLU 7 Cb -0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2kzn h GLU 7 CO -0.07 0.37 -0.05 0.87 -0.73 0.00 0.00 179.01 179.40 2kzn h LYS 8 N 0.58 -0.14 -0.34 1.92 1.79 -0.75 -3.28 116.57 116.36 2kzn h LYS 8 Ca 0.20 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.63 2kzn h LYS 8 Cb 0.03 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2kzn h LYS 8 CO -0.10 0.35 -0.01 0.82 -1.08 0.00 0.00 179.45 179.44 2kzn h ILE 9 N -0.74 1.20 -0.31 1.86 1.08 -1.18 -1.26 117.51 118.16 2kzn h ILE 9 Ca -0.01 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2kzn h ILE 9 Cb 0.55 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 2kzn h ILE 9 CO 0.02 0.27 0.19 0.50 -0.69 0.00 0.00 178.15 178.45 2kzn h LYS 10 N 0.50 0.42 0.14 2.37 3.64 -1.52 -0.78 116.57 121.34 2kzn h LYS 10 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2kzn h LYS 10 Cb 0.34 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2kzn h LYS 10 CO 0.01 0.32 -0.07 0.77 -2.27 0.00 0.00 179.45 178.21 2kzn h SER 11 N 0.41 -0.16 -0.83 4.20 0.02 -1.57 -3.34 113.55 112.28 2kzn h SER 11 Ca 0.11 -0.37 0.19 0.00 -0.84 0.00 0.00 61.79 60.88 2kzn h SER 11 Cb -0.00 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.47 2kzn h SER 11 CO -0.02 0.34 0.32 0.25 -1.14 0.00 0.00 176.83 176.58 2kzn h LEU 12 N -0.72 0.23 -1.98 5.07 5.85 -1.16 -2.30 115.31 120.29 2kzn h LEU 12 Ca -0.02 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2kzn h LEU 12 Cb 0.52 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2kzn h LEU 12 CO 0.03 0.01 -0.07 0.78 -0.34 0.00 0.00 178.44 178.86 2kzn h ASN 13 N 0.38 0.00 -0.76 1.25 -0.26 -1.25 -2.31 115.58 112.62 2kzn h ASN 13 Ca 0.49 0.00 0.13 0.00 -0.56 0.00 0.00 56.30 56.36 2kzn h ASN 13 Cb 0.88 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.09 2kzn h ASN 13 CO -0.50 0.07 0.50 -0.09 -1.06 0.00 0.00 177.43 176.35 2kzn h ARG 14 N 0.00 0.50 0.00 0.81 9.65 -1.56 -0.48 114.38 123.30 2kzn h ARG 14 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2kzn h ARG 14 Cb 0.33 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2kzn h ARG 14 CO 0.01 0.33 -0.23 0.52 2.80 0.00 0.00 179.97 183.40 2kzn h MET 15 N 0.52 0.00 -0.10 0.20 2.86 -1.61 -3.37 114.93 113.42 2kzn h MET 15 Ca 0.37 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.98 2kzn h MET 15 Cb 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 2kzn h MET 15 CO -0.13 0.00 -0.04 1.96 1.06 0.00 0.00 176.91 179.76 2kzn h GLN 16 N -0.65 0.21 -0.46 1.72 4.20 -1.45 -2.08 115.11 116.59 2kzn h GLN 16 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2kzn h GLN 16 Cb 0.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2kzn h GLN 16 CO 0.00 0.55 0.27 -0.92 -0.67 0.00 0.00 178.83 178.06 2kzn h TYR 17 N -0.14 0.61 -0.43 2.96 3.20 -1.33 -1.50 116.97 120.33 2kzn h TYR 17 Ca 0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2kzn h TYR 17 Cb 0.48 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2kzn h TYR 17 CO 0.06 0.43 0.22 1.49 -1.64 0.00 0.00 178.16 178.73 2kzn h GLU 18 N 0.60 0.58 0.56 1.82 4.81 -1.51 -1.88 114.58 119.57 2kzn h GLU 18 Ca 0.16 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2kzn h GLU 18 Cb 0.01 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.28 2kzn h GLU 18 CO -0.03 0.44 -0.27 0.28 -0.73 0.00 0.00 179.01 178.70 2kzn h VAL 19 N 0.59 0.24 0.00 0.32 2.07 -0.85 -3.00 116.25 115.63 2kzn h VAL 19 Ca 0.15 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2kzn h VAL 19 Cb 0.03 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2kzn h VAL 19 CO -0.02 0.04 -0.03 0.00 0.02 0.00 0.00 177.57 177.57 2kzn h THR 20 N -1.07 0.14 0.00 2.57 1.03 -1.19 0.39 112.91 114.78 2kzn h THR 20 Ca -0.08 -0.35 -0.05 0.00 -0.01 0.00 0.00 66.41 65.93 2kzn h THR 20 Cb 0.64 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 2kzn h THR 20 CO 0.13 0.03 -0.22 1.56 -0.01 0.00 0.00 175.52 177.01 2kzn h GLN 21 N 0.00 0.00 0.00 0.00 1.08 -1.34 -2.92 115.11 111.93 2kzn h GLN 21 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2kzn h GLN 21 Cb 0.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2kzn h GLN 21 CO 0.00 0.22 -1.68 -1.71 -0.95 0.00 0.00 178.83 174.71 2kzn n ASN 22 N -3.18 0.30 -3.15 1.46 5.15 -0.64 -4.98 115.26 110.22 2kzn n ASN 22 Ca 0.03 0.12 -0.23 0.00 -0.60 0.00 0.00 54.58 53.89 2kzn n ASN 22 Cb 0.59 1.40 0.03 0.00 -0.53 0.00 0.00 39.78 41.27 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 -2.44 -5.75 -4.65 1.20 3.02 0.12 -5.01 115.26 101.75 2kzn n ASN 23 Ca -0.04 -0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 53.89 2kzn n ASN 23 Cb 0.60 -4.65 0.11 0.00 -0.61 0.00 0.00 39.78 35.24 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kzn s GLY 24 N -2.78 1.70 -0.15 7.41 0.00 -0.42 -4.97 107.32 108.11 2kzn s GLY 24 Ca 0.35 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.03 2kzn s GLY 24 CO 0.44 -0.47 -0.08 -1.08 0.00 0.00 0.00 173.10 171.91 2kzn s THR 25 N -3.52 3.40 -0.02 0.90 -1.32 -1.26 -4.67 115.64 109.15 2kzn s THR 25 Ca 0.65 -0.53 0.07 0.00 -1.21 0.00 0.00 61.69 60.68 2kzn s THR 25 Cb -0.08 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.42 2kzn s THR 25 CO 0.48 0.50 -0.23 -0.70 -2.21 0.00 0.00 174.62 172.46 2kzn s GLU 26 N 0.55 1.85 0.14 7.08 2.12 -1.26 -5.05 118.70 124.13 2kzn s GLU 26 Ca -0.06 -0.81 -0.35 0.00 0.36 0.00 0.00 54.97 54.12 2kzn s GLU 26 Cb -0.15 -1.78 -0.15 0.00 0.26 0.00 0.00 34.13 32.31 2kzn s GLU 26 CO 0.03 0.48 1.49 -0.35 -0.54 0.00 0.00 175.26 176.37 2kzn n PRO 27 N 2.54 1.81 -1.08 4.30 -0.04 -1.26 -4.02 135.00 137.25 2kzn n PRO 27 Ca -0.16 0.65 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 2kzn n PRO 27 Cb 0.52 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 2kzn n PRO 27 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2kzn n PRO 28 N 3.05 3.04 0.00 0.54 -0.02 -1.26 -4.66 135.00 135.69 2kzn n PRO 28 Ca 0.17 -1.88 0.02 0.00 -2.02 0.00 0.00 63.50 59.80 2kzn n PRO 28 Cb 0.26 -2.64 0.13 0.00 -0.02 0.00 0.00 33.50 31.22 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 3.78 0.00 -0.02 6.00 1.16 -1.26 -2.19 117.46 124.93 2kzn n PHE 29 Ca 0.65 0.00 0.24 0.00 -1.87 0.00 0.00 57.45 56.46 2kzn n PHE 29 Cb 0.21 -0.21 0.65 0.00 -1.61 0.00 0.00 39.48 38.52 2kzn n PHE 29 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 2kzn h GLN 30 N 0.00 0.00 -5.13 3.97 1.08 -1.92 -3.41 115.11 109.70 2kzn h GLN 30 Ca 0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 2kzn h GLN 30 Cb 0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.32 2kzn h GLN 30 CO 0.00 0.00 -0.70 1.21 -0.95 0.00 0.00 178.83 178.39 2kzn s ASN 31 N -4.67 1.90 -0.11 1.46 3.84 -0.93 -4.95 114.94 111.48 2kzn s ASN 31 Ca -0.04 -1.07 -0.23 0.00 0.21 0.00 0.00 52.86 51.73 2kzn s ASN 31 Cb 0.15 -0.02 -0.20 0.00 -0.55 0.00 0.00 41.25 40.63 2kzn s ASN 31 CO 0.53 -0.37 0.70 -0.33 -2.79 0.00 0.00 177.10 174.85 2kzn h GLU 32 N 2.66 -0.03 0.00 0.43 3.07 -1.87 -3.38 114.58 115.47 2kzn h GLU 32 Ca -0.37 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.41 2kzn h GLU 32 Cb 1.20 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2kzn h GLU 32 CO 0.64 0.70 -0.71 1.88 -1.40 0.00 0.00 179.01 180.12 2kzn h TYR 33 N -0.94 0.00 0.00 4.33 0.05 -1.97 -3.48 116.97 114.96 2kzn h TYR 33 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kzn h TYR 33 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 2kzn h TYR 33 CO 0.19 0.31 0.00 0.91 -1.05 0.00 0.00 178.16 178.53 2kzn n TRP 34 N -3.01 0.00 0.08 4.88 8.01 -1.26 -4.77 117.44 121.37 2kzn n TRP 34 Ca -0.01 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.05 2kzn n TRP 34 Cb 0.68 -0.09 -0.08 0.00 -2.01 0.00 0.00 31.31 29.81 2kzn n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 2kzn h ASP 35 N 0.00 -0.17 -3.78 -0.99 3.32 -1.96 -3.50 116.42 109.34 2kzn h ASP 35 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2kzn h ASP 35 Cb 0.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2kzn h ASP 35 CO 0.00 0.12 -0.27 1.41 -1.72 0.00 0.00 179.24 178.78 2kzn n HIS 36 N -5.06 -1.34 0.24 4.55 8.25 -1.26 -4.94 115.22 115.66 2kzn n HIS 36 Ca -0.09 0.57 0.04 0.00 -0.26 0.00 0.00 57.72 57.98 2kzn n HIS 36 Cb 0.20 -2.41 0.05 0.00 1.12 0.00 0.00 29.99 28.95 2kzn n HIS 36 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kzn n LYS 37 N -0.08 0.75 -2.39 -0.41 2.85 -1.26 -4.76 118.16 112.86 2kzn n LYS 37 Ca 0.02 -1.19 -0.25 0.00 -1.05 0.00 0.00 58.31 55.84 2kzn n LYS 37 Cb 0.08 -1.17 0.09 0.00 -0.65 0.00 0.00 35.03 33.38 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2kzn s GLU 38 N -0.75 1.86 0.15 -1.58 1.03 -1.26 -4.97 118.70 113.17 2kzn s GLU 38 Ca 0.11 -0.69 -0.31 0.00 0.03 0.00 0.00 54.97 54.11 2kzn s GLU 38 Cb 0.07 -2.25 -0.09 0.00 -0.80 0.00 0.00 34.13 31.07 2kzn s GLU 38 CO 0.11 -1.37 1.46 -1.83 -1.33 0.00 0.00 175.26 172.29 2kzn s GLU 39 N -5.20 4.28 -0.30 -4.83 -1.05 -1.26 -4.45 118.70 105.88 2kzn s GLU 39 Ca 0.64 2.21 -0.33 0.00 -0.15 0.00 0.00 54.97 57.34 2kzn s GLU 39 Cb -0.08 -3.19 0.18 0.00 -0.44 0.00 0.00 34.13 30.60 2kzn s GLU 39 CO 0.44 -0.49 1.40 0.20 0.95 0.00 0.00 175.26 177.76 2kzn s GLY 40 N 1.01 -0.00 -0.13 -3.83 0.00 -1.26 -3.59 107.32 99.52 2kzn s GLY 40 Ca 0.66 2.52 -0.04 0.00 0.00 0.00 0.00 44.72 47.86 2kzn s GLY 40 CO 0.32 0.93 0.02 1.08 0.00 0.00 0.00 173.10 175.45 2kzn s LEU 41 N -1.41 3.66 -0.42 0.66 1.43 -0.46 -1.34 118.68 120.80 2kzn s LEU 41 Ca 0.11 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 2kzn s LEU 41 Cb -0.01 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2kzn s LEU 41 CO -0.06 0.29 0.88 -0.31 0.23 0.00 0.00 176.35 177.38 2kzn s TYR 42 N -0.33 3.00 0.03 0.29 1.51 0.20 -0.89 117.35 121.16 2kzn s TYR 42 Ca 0.07 0.47 0.05 0.00 -1.01 0.00 0.00 57.07 56.65 2kzn s TYR 42 Cb -0.12 -3.77 -0.02 0.00 -0.11 0.00 0.00 41.96 37.94 2kzn s TYR 42 CO 0.02 -0.97 -0.15 0.14 -1.11 0.00 0.00 175.55 173.48 2kzn s VAL 43 N 3.53 1.18 0.01 0.71 -7.23 -0.48 -1.93 120.40 116.18 2kzn s VAL 43 Ca 0.35 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 2kzn s VAL 43 Cb -0.11 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 2kzn s VAL 43 CO 0.23 0.08 1.22 1.51 -0.31 0.00 0.00 175.10 177.82 2kzn s ASP 44 N -1.03 7.04 0.43 4.85 1.47 -1.20 -0.27 116.67 127.96 2kzn s ASP 44 Ca 0.03 1.94 0.14 0.00 1.18 0.00 0.00 52.55 55.84 2kzn s ASP 44 Cb -0.08 -2.57 0.92 0.00 -0.34 0.00 0.00 42.92 40.86 2kzn s ASP 44 CO 0.01 -0.54 1.95 0.40 0.68 0.00 0.00 175.17 177.67 2kzn h ILE 45 N 4.77 1.16 -0.93 2.11 2.04 -1.42 0.37 117.51 125.61 2kzn h ILE 45 Ca -0.38 -0.78 0.20 0.00 1.00 0.00 0.00 64.86 64.90 2kzn h ILE 45 Cb 1.19 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.59 2kzn h ILE 45 CO 0.85 0.22 0.60 -0.37 0.00 0.00 0.00 178.15 179.46 2kzn h VAL 46 N 0.02 0.70 0.00 1.67 -1.51 -1.92 -3.30 116.25 111.90 2kzn h VAL 46 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2kzn h VAL 46 Cb 0.40 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.69 2kzn h VAL 46 CO 0.03 0.10 0.00 -0.24 -1.23 0.00 0.00 177.57 176.22 2kzn n SER 47 N -4.57 0.00 -2.79 4.19 2.88 -1.21 -4.99 113.62 107.12 2kzn n SER 47 Ca 0.20 -1.00 -0.20 0.00 -1.33 0.00 0.00 58.87 56.54 2kzn n SER 47 Cb 0.65 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.36 3.80 0.46 0.00 0.13 -5.00 105.19 104.22 2kzn n GLY 48 Ca 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.70 4.11 -0.17 1.61 -0.14 -1.22 -4.86 119.74 113.36 2kzn s LYS 49 Ca 0.33 0.56 -0.29 0.00 -1.36 0.00 0.00 55.97 55.20 2kzn s LYS 49 Cb -0.14 -3.27 -0.01 0.00 -1.68 0.00 0.00 37.83 32.73 2kzn s LYS 49 CO 0.40 0.57 1.25 -1.25 -0.76 0.00 0.00 175.35 175.57 2kzn s PRO 50 N -0.78 4.22 -0.08 -1.68 0.04 -1.26 -3.24 135.00 132.22 2kzn s PRO 50 Ca 0.26 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2kzn s PRO 50 Cb -0.18 -3.76 -0.06 0.00 0.04 0.00 0.00 34.50 30.54 2kzn s PRO 50 CO 0.15 -0.71 -0.07 1.28 0.04 0.00 0.00 177.00 177.69 2kzn n LEU 51 N 6.63 2.78 -3.90 -3.56 4.77 -0.81 -4.58 117.00 118.33 2kzn n LEU 51 Ca 0.14 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2kzn n LEU 51 Cb 0.45 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2kzn n LEU 51 CO 0.56 0.61 0.97 0.72 -1.33 0.00 0.00 177.39 178.92 2kzn s PHE 52 N -2.17 0.03 0.12 -1.77 -0.71 -1.14 -0.80 117.98 111.53 2kzn s PHE 52 Ca -0.11 -0.27 0.07 0.00 -1.04 0.00 0.00 56.93 55.59 2kzn s PHE 52 Cb 0.03 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 2kzn s PHE 52 CO 0.20 -0.55 -0.09 -0.08 -1.34 0.00 0.00 175.22 173.36 2kzn s THR 53 N -2.17 3.42 0.04 -4.49 -1.32 -1.26 -0.63 115.64 109.24 2kzn s THR 53 Ca 0.24 -1.30 0.33 0.00 -1.21 0.00 0.00 61.69 59.75 2kzn s THR 53 Cb -0.01 -2.62 0.38 0.00 -1.51 0.00 0.00 72.50 68.74 2kzn s THR 53 CO 0.01 0.07 1.96 -1.28 -2.21 0.00 0.00 174.62 173.18 2kzn h SER 54 N 3.46 0.00 -0.50 8.08 0.87 -1.51 -3.10 113.55 120.86 2kzn h SER 54 Ca -0.48 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.10 2kzn h SER 54 Cb 1.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 2kzn h SER 54 CO 0.53 0.00 0.33 0.50 -0.53 0.00 0.00 176.83 177.66 2kzn h LYS 55 N 0.00 0.55 -0.41 2.24 3.64 -1.78 -2.80 116.57 118.01 2kzn h LYS 55 Ca 0.00 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 2kzn h LYS 55 Cb 0.49 -0.12 -0.19 0.00 -0.41 0.00 0.00 32.23 31.99 2kzn h LYS 55 CO 0.00 0.37 -0.43 -3.47 -2.27 0.00 0.00 179.45 173.64 2kzn n ASP 56 N -4.47 3.37 -4.67 4.20 2.03 -1.17 -5.02 116.55 110.81 2kzn n ASP 56 Ca 0.05 -3.82 -0.43 0.00 0.52 0.00 0.00 54.79 51.12 2kzn n ASP 56 Cb 0.14 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kzn s LYS 57 N -3.41 4.26 0.00 -0.67 2.47 -1.06 -4.49 119.74 116.85 2kzn s LYS 57 Ca 0.46 1.72 0.01 0.00 -1.56 0.00 0.00 55.97 56.59 2kzn s LYS 57 Cb 0.40 -3.73 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 2kzn s LYS 57 CO -0.01 -0.66 0.05 0.12 0.16 0.00 0.00 175.35 175.01 2kzn s PHE 58 N 3.21 3.19 0.61 4.03 5.36 -0.44 -5.04 117.98 128.89 2kzn s PHE 58 Ca 0.57 0.15 -0.18 0.00 -0.96 0.00 0.00 56.93 56.51 2kzn s PHE 58 Cb -0.24 -1.70 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 2kzn s PHE 58 CO 0.18 0.51 1.14 0.16 -1.46 0.00 0.00 175.22 175.76 2kzn s ASP 59 N -1.70 5.30 -0.20 6.13 -4.77 -1.26 -3.38 116.67 116.79 2kzn s ASP 59 Ca 0.22 2.17 -0.07 0.00 -3.30 0.00 0.00 52.55 51.57 2kzn s ASP 59 Cb -0.12 -2.58 0.09 0.00 -1.09 0.00 0.00 42.92 39.22 2kzn s ASP 59 CO 0.13 -1.51 0.43 -0.55 0.70 0.00 0.00 175.17 174.37 2kzn s SER 60 N -2.02 -0.33 0.00 2.11 0.15 -1.26 -4.65 113.70 107.70 2kzn s SER 60 Ca 0.72 1.00 0.21 0.00 0.70 0.00 0.00 55.95 58.58 2kzn s SER 60 Cb -0.24 1.28 1.02 0.00 -1.71 0.00 0.00 66.02 66.37 2kzn s SER 60 CO 0.34 -0.23 1.68 0.00 1.20 0.00 0.00 173.24 176.24 2kzn n GLN 61 N 5.20 0.20 0.00 5.44 10.64 -1.26 -3.03 117.38 134.57 2kzn n GLN 61 Ca -0.11 0.10 0.13 0.00 -1.83 0.00 0.00 57.00 55.29 2kzn n GLN 61 Cb 0.50 -1.50 0.44 0.00 -0.86 0.00 0.00 30.24 28.83 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 1.41 1.80 3.66 0.00 0.00 -1.17 -4.93 105.19 105.96 2kzn n GLY 63 Ca 0.10 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2kzn n GLY 63 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kzn n TRP 64 N 0.00 2.43 -1.63 1.61 8.01 -1.26 -4.81 117.44 121.79 2kzn n TRP 64 Ca 0.00 -0.30 -0.46 0.00 -1.31 0.00 0.00 57.50 55.42 2kzn n TRP 64 Cb 0.00 -2.78 -0.04 0.00 -2.01 0.00 0.00 31.31 26.48 2kzn n TRP 64 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 2kzn n PRO 65 N 7.55 2.11 -3.23 -0.99 -0.04 -1.25 -4.70 135.00 134.45 2kzn n PRO 65 Ca 0.22 0.72 -0.37 0.00 -0.04 0.00 0.00 63.50 64.03 2kzn n PRO 65 Cb 0.40 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 2kzn n PRO 65 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kzn s SER 66 N 5.49 7.01 0.30 3.54 0.01 -1.22 -4.04 113.70 124.80 2kzn s SER 66 Ca 0.96 1.27 -0.19 0.00 1.31 0.00 0.00 55.95 59.31 2kzn s SER 66 Cb -0.59 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.30 2kzn s SER 66 CO 0.46 0.15 0.70 0.72 0.41 0.00 0.00 173.24 175.68 2kzn s PHE 67 N -1.34 -0.04 -0.22 2.43 -0.71 -1.25 -1.33 117.98 115.52 2kzn s PHE 67 Ca 0.36 -0.44 0.08 0.00 -1.04 0.00 0.00 56.93 55.88 2kzn s PHE 67 Cb -0.18 0.66 -0.21 0.00 -1.21 0.00 0.00 43.02 42.09 2kzn s PHE 67 CO 0.20 -1.27 -0.05 2.41 -1.34 0.00 0.00 175.22 175.17 2kzn n THR 68 N -0.47 1.48 -3.72 -4.49 -1.04 -1.26 -3.87 114.28 100.90 2kzn n THR 68 Ca -0.04 -0.69 -0.24 0.00 -2.04 0.00 0.00 64.05 61.04 2kzn n THR 68 Cb 0.60 -1.09 -0.17 0.00 -1.82 0.00 0.00 70.33 67.85 2kzn n THR 68 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kzn s LYS 69 N -2.52 0.44 0.91 -2.82 2.47 -1.26 -4.83 119.74 112.14 2kzn s LYS 69 Ca -0.24 -0.03 -0.12 0.00 -1.56 0.00 0.00 55.97 54.01 2kzn s LYS 69 Cb 0.08 -1.36 0.19 0.00 -1.46 0.00 0.00 37.83 35.27 2kzn s LYS 69 CO 0.70 -0.46 1.25 -1.25 0.16 0.00 0.00 175.35 175.75 2kzn s PRO 70 N 1.99 0.85 -0.55 4.03 0.04 -1.26 -4.80 135.00 135.30 2kzn s PRO 70 Ca 0.03 -0.59 -0.20 0.00 0.04 0.00 0.00 61.00 60.28 2kzn s PRO 70 Cb -0.14 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2kzn s PRO 70 CO -0.06 -2.21 0.73 0.42 0.04 0.00 0.00 177.00 175.92 2kzn s ILE 71 N -3.72 4.73 -0.31 0.56 1.01 0.02 -4.93 121.20 118.55 2kzn s ILE 71 Ca 0.72 -0.48 0.24 0.00 0.00 0.00 0.00 60.65 61.13 2kzn s ILE 71 Cb -0.04 -4.42 0.25 0.00 0.01 0.00 0.00 42.46 38.26 2kzn s ILE 71 CO 0.51 -1.00 1.73 1.05 0.00 0.00 0.00 174.94 177.23 2kzn h GLU 72 N 9.15 0.00 -0.52 2.79 4.11 -1.89 -1.77 114.58 126.45 2kzn h GLU 72 Ca -0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 2kzn h GLU 72 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2kzn h GLU 72 CO 1.04 0.00 0.22 1.49 0.07 0.00 0.00 179.01 181.83 2kzn h GLU 73 N 0.00 0.78 -0.01 1.06 4.57 -1.92 -3.32 114.58 115.74 2kzn h GLU 73 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2kzn h GLU 73 Cb 0.23 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2kzn h GLU 73 CO 0.00 0.68 -0.05 0.39 -1.18 0.00 0.00 179.01 178.85 2kzn n GLU 74 N -4.54 0.83 -5.22 1.92 -0.58 -0.75 -5.00 120.64 107.30 2kzn n GLU 74 Ca 0.02 -0.80 -0.32 0.00 -0.42 0.00 0.00 57.16 55.64 2kzn n GLU 74 Cb 0.15 -1.09 -0.16 0.00 -0.57 0.00 0.00 31.44 29.77 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kzn s VAL 75 N -0.80 2.21 -0.09 2.62 1.01 -0.74 -4.48 120.40 120.13 2kzn s VAL 75 Ca 0.08 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2kzn s VAL 75 Cb 0.06 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2kzn s VAL 75 CO 0.13 0.57 -0.13 -1.61 0.00 0.00 0.00 175.10 174.06 2kzn s GLU 76 N -0.32 1.89 -0.39 2.72 2.02 -1.26 -4.60 118.70 118.75 2kzn s GLU 76 Ca 0.01 -0.45 -0.24 0.00 0.02 0.00 0.00 54.97 54.32 2kzn s GLU 76 Cb -0.12 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.49 2kzn s GLU 76 CO 0.02 -0.05 0.82 -1.21 0.02 0.00 0.00 175.26 174.86 2kzn s GLU 77 N 0.95 3.67 -0.29 1.61 8.01 -1.26 -1.54 118.70 129.86 2kzn s GLU 77 Ca -0.08 0.25 0.01 0.00 0.01 0.00 0.00 54.97 55.16 2kzn s GLU 77 Cb -0.15 -3.85 0.09 0.00 -4.31 0.00 0.00 34.13 25.91 2kzn s GLU 77 CO -0.00 -0.96 0.04 0.21 0.01 0.00 0.00 175.26 174.56 2kzn s LYS 78 N 3.26 1.16 0.41 1.61 2.20 -0.14 -4.97 119.74 123.29 2kzn s LYS 78 Ca 0.33 -1.21 -0.26 0.00 -0.36 0.00 0.00 55.97 54.47 2kzn s LYS 78 Cb -0.12 -2.48 -0.08 0.00 -1.51 0.00 0.00 37.83 33.64 2kzn s LYS 78 CO 0.19 -0.84 1.26 -1.17 -0.36 0.00 0.00 175.35 174.43 2kzn s LEU 79 N 1.39 4.19 0.10 5.43 2.96 -1.26 -0.60 118.68 130.89 2kzn s LEU 79 Ca 0.05 2.56 0.09 0.00 -0.22 0.00 0.00 54.13 56.61 2kzn s LEU 79 Cb -0.18 -3.95 -0.04 0.00 0.50 0.00 0.00 46.19 42.52 2kzn s LEU 79 CO -0.14 -0.82 -0.21 -0.62 -1.32 0.00 0.00 176.35 173.24 2kzn s ASP 80 N -0.88 3.70 0.00 3.68 -1.08 -0.69 -4.82 116.67 116.59 2kzn s ASP 80 Ca 0.57 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 2kzn s ASP 80 Cb -0.36 -0.47 0.00 0.00 -1.46 0.00 0.00 42.92 40.63 2kzn s ASP 80 CO 0.45 0.20 0.18 1.07 0.52 0.00 0.00 175.17 177.59 2kzn n THR 81 N 1.01 0.00 0.18 1.71 5.66 -1.25 -2.20 114.28 119.39 2kzn n THR 81 Ca -0.16 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.88 2kzn n THR 81 Cb 0.53 1.39 0.31 0.00 -1.55 0.00 0.00 70.33 71.01 2kzn n THR 81 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kzn h SER 82 N 0.00 0.00 0.00 1.09 0.02 -1.95 -2.29 113.55 110.42 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 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2kzn h SER 82 CO 0.00 0.42 0.00 1.41 -1.14 0.00 0.00 176.83 177.52 2kzn n HIS 83 N -3.62 0.00 -0.86 3.45 8.25 -1.26 -4.85 115.22 116.32 2kzn n HIS 83 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kzn n HIS 83 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kzn n GLY 84 N 0.64 0.55 3.22 -1.41 0.00 -0.86 -5.04 105.19 102.29 2kzn n GLY 84 Ca 0.19 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2kzn n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kzn s MET 85 N -0.46 0.38 -0.31 1.61 -2.45 -1.25 -5.09 119.30 111.73 2kzn s MET 85 Ca 0.00 0.46 -0.29 0.00 -1.25 0.00 0.00 55.69 54.61 2kzn s MET 85 Cb 0.00 0.19 -0.02 0.00 1.25 0.00 0.00 34.83 36.25 2kzn s MET 85 CO 0.00 -0.05 1.68 0.42 1.05 0.00 0.00 175.02 178.12 2kzn s ILE 86 N 0.18 3.61 -0.24 10.11 -1.09 -1.25 -3.85 121.20 128.66 2kzn s ILE 86 Ca -0.00 0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 58.95 2kzn s ILE 86 Cb -0.02 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.19 2kzn s ILE 86 CO 0.00 -0.44 0.57 -0.60 -1.23 0.00 0.00 174.94 173.25 2kzn s ARG 87 N 5.24 0.55 0.12 2.79 3.00 -0.93 -4.86 118.95 124.85 2kzn s ARG 87 Ca 0.74 1.14 -0.25 0.00 -1.00 0.00 0.00 55.73 56.36 2kzn s ARG 87 Cb -0.22 0.28 -0.07 0.00 0.00 0.00 0.00 34.95 34.94 2kzn s ARG 87 CO 0.32 -0.18 0.75 0.99 0.00 0.00 0.00 175.30 177.19 2kzn s THR 88 N 1.98 4.50 0.34 4.11 2.01 -0.96 -1.70 115.64 125.93 2kzn s THR 88 Ca -0.08 1.63 0.02 0.00 0.31 0.00 0.00 61.69 63.57 2kzn s THR 88 Cb -0.08 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 2kzn s THR 88 CO -0.17 0.48 0.53 -0.70 -0.69 0.00 0.00 174.62 174.07 2kzn s GLU 89 N -0.85 3.34 -0.21 4.92 2.56 0.23 -0.49 118.70 128.21 2kzn s GLU 89 Ca 0.36 -0.54 0.01 0.00 0.00 0.00 0.00 54.97 54.80 2kzn s GLU 89 Cb -0.22 -2.71 0.05 0.00 2.00 0.00 0.00 34.13 33.25 2kzn s GLU 89 CO 0.25 0.11 -0.08 0.14 -0.56 0.00 0.00 175.26 175.12 2kzn s VAL 90 N -2.28 1.53 -0.29 3.70 -7.23 -0.52 -0.96 120.40 114.35 2kzn s VAL 90 Ca 0.41 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 59.40 2kzn s VAL 90 Cb -0.10 -1.68 0.12 0.00 0.56 0.00 0.00 36.38 35.28 2kzn s VAL 90 CO 0.34 0.08 0.84 0.00 -0.31 0.00 0.00 175.10 176.06 2kzn s ARG 91 N 1.43 0.52 0.62 4.82 1.04 -0.59 -2.44 118.95 124.35 2kzn s ARG 91 Ca -0.02 0.94 -0.05 0.00 -1.04 0.00 0.00 55.73 55.55 2kzn s ARG 91 Cb -0.17 0.18 0.03 0.00 -2.04 0.00 0.00 34.95 32.95 2kzn s ARG 91 CO -0.07 -0.12 0.92 0.45 -0.04 0.00 0.00 175.30 176.44 2kzn s SER 92 N 1.64 5.27 0.12 -2.89 0.15 -1.08 -4.33 113.70 112.58 2kzn s SER 92 Ca -0.09 0.52 0.18 0.00 0.70 0.00 0.00 55.95 57.26 2kzn s SER 92 Cb -0.05 -1.38 -0.08 0.00 -1.71 0.00 0.00 66.02 62.81 2kzn s SER 92 CO -0.17 -1.26 0.94 0.03 1.20 0.00 0.00 173.24 173.97 2kzn h ARG 93 N -0.29 0.00 0.00 5.44 3.08 -1.95 -2.76 114.38 117.90 2kzn h ARG 93 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2kzn h ARG 93 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2kzn h ARG 93 CO 0.59 0.22 -0.05 1.15 -1.07 0.00 0.00 179.97 180.82 2kzn h THR 94 N 0.00 0.00 0.00 2.04 2.02 -2.00 -3.47 112.91 111.50 2kzn h THR 94 Ca -0.11 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2kzn h THR 94 Cb 1.40 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2kzn h THR 94 CO 0.03 0.00 -1.07 0.00 0.37 0.00 0.00 175.52 174.85 2kzn n ALA 95 N -2.33 1.97 0.93 6.16 0.00 -1.26 -4.83 120.51 121.16 2kzn n ALA 95 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kzn n ALA 95 Cb 0.02 0.42 0.00 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 -2.43 0.69 0.17 0.00 8.00 -1.25 -3.54 116.55 118.19 2kzn n ASP 96 Ca -0.02 -1.62 0.12 0.00 0.71 0.00 0.00 54.79 53.98 2kzn n ASP 96 Cb 0.52 -0.35 0.61 0.00 -0.02 0.00 0.00 41.12 41.89 2kzn n ASP 96 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kzn h SER 97 N 0.16 0.00 0.69 -2.24 0.02 -1.81 -2.76 113.55 107.61 2kzn h SER 97 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kzn h SER 97 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2kzn h SER 97 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2kzn n HIS 98 N -2.32 0.00 0.00 3.45 1.44 -1.23 -4.54 115.22 112.01 2kzn n HIS 98 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2kzn n HIS 98 Cb 0.08 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 29.72 2kzn n HIS 98 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kzn n LEU 99 N -1.47 0.11 0.00 2.39 4.77 -1.06 -4.62 117.00 117.12 2kzn n LEU 99 Ca 0.06 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 2kzn n LEU 99 Cb 0.24 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kzn n LEU 99 CO 0.19 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2kzn n GLY 100 N -0.51 -0.19 3.34 -0.72 0.00 -1.02 -1.53 105.19 104.56 2kzn n GLY 100 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.08 1.79 -0.01 1.61 -3.43 -0.76 -1.45 115.29 109.97 2kzn s HIS 101 Ca 0.00 -0.50 0.01 0.00 -0.80 0.00 0.00 55.06 53.77 2kzn s HIS 101 Cb 0.00 -0.87 0.00 0.00 -1.43 0.00 0.00 32.58 30.29 2kzn s HIS 101 CO 0.00 0.35 -0.02 0.14 -2.00 0.00 0.00 174.74 173.21 2kzn s VAL 102 N -2.38 0.17 -0.14 -5.38 -7.23 0.36 -1.70 120.40 104.10 2kzn s VAL 102 Ca 0.18 -0.06 -0.09 0.00 -1.81 0.00 0.00 61.98 60.21 2kzn s VAL 102 Cb -0.04 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 2kzn s VAL 102 CO 0.07 0.07 0.16 -0.36 -0.31 0.00 0.00 175.10 174.73 2kzn s PHE 103 N 0.16 3.55 -1.51 2.82 0.40 -0.80 -2.27 117.98 120.34 2kzn s PHE 103 Ca -0.01 0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.86 2kzn s PHE 103 Cb -0.03 -2.04 0.12 0.00 0.51 0.00 0.00 43.02 41.58 2kzn s PHE 103 CO -0.00 0.59 0.92 0.09 0.70 0.00 0.00 175.22 177.52 2kzn n ASN 104 N 2.45 1.15 -0.01 1.36 4.13 -1.26 -0.31 115.26 122.77 2kzn n ASN 104 Ca -0.18 -2.07 0.07 0.00 1.68 0.00 0.00 54.58 54.09 2kzn n ASN 104 Cb 0.54 -0.28 -0.11 0.00 -1.54 0.00 0.00 39.78 38.39 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kzn n ASP 105 N -0.03 1.44 -4.77 6.41 2.03 -1.26 -4.79 116.55 115.58 2kzn n ASP 105 Ca 0.04 -0.12 -0.36 0.00 0.52 0.00 0.00 54.79 54.88 2kzn n ASP 105 Cb 0.24 1.59 -0.01 0.00 -0.72 0.00 0.00 41.12 42.22 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kzn s GLY 106 N -3.55 2.71 0.01 0.27 0.00 -1.17 -4.99 107.32 100.60 2kzn s GLY 106 Ca -0.04 0.85 -0.30 0.00 0.00 0.00 0.00 44.72 45.23 2kzn s GLY 106 CO 0.62 1.26 1.10 2.56 0.00 0.00 0.00 173.10 178.64 2kzn s PRO 107 N -2.92 4.47 0.05 2.90 0.04 -1.26 -3.24 135.00 135.05 2kzn s PRO 107 Ca 0.66 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 63.05 2kzn s PRO 107 Cb -0.25 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 30.94 2kzn s PRO 107 CO 0.30 -0.20 1.15 0.41 0.04 0.00 0.00 177.00 178.70 2kzn n GLY 108 N 3.10 0.37 0.31 0.56 0.00 -1.26 -4.73 105.19 103.54 2kzn n GLY 108 Ca 0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 0.84 0.00 1.61 0.11 -1.94 -2.76 132.00 129.85 2kzn h PRO 109 Ca -0.23 -0.13 -0.27 0.00 0.11 0.00 0.00 66.00 65.48 2kzn h PRO 109 Cb 1.14 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 2kzn h PRO 109 CO 0.32 0.69 -1.54 -2.95 -0.21 0.00 0.00 178.00 174.31 2kzn h ASN 110 N 0.82 0.00 -0.29 -2.05 -1.07 -1.95 -3.49 115.58 107.56 2kzn h ASN 110 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 2kzn h ASN 110 Cb 0.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 2kzn h ASN 110 CO -0.02 0.99 0.00 0.61 0.07 0.00 0.00 177.43 179.09 2kzn n GLY 111 N 1.50 0.95 3.66 9.14 0.00 -1.04 -5.10 105.19 114.30 2kzn n GLY 111 Ca -0.13 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.29 3.25 -0.28 0.99 1.43 -1.20 -3.98 118.68 118.61 2kzn s LEU 112 Ca 0.00 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2kzn s LEU 112 Cb 0.00 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.49 2kzn s LEU 112 CO 0.00 0.02 -0.06 -0.60 0.23 0.00 0.00 176.35 175.94 2kzn s ARG 113 N -3.54 1.90 -0.34 1.70 3.52 0.58 -4.39 118.95 118.38 2kzn s ARG 113 Ca 0.31 -1.40 -0.29 0.00 -0.13 0.00 0.00 55.73 54.21 2kzn s ARG 113 Cb -0.07 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.45 2kzn s ARG 113 CO 0.20 -0.68 1.23 0.71 -0.81 0.00 0.00 175.30 175.95 2kzn s TYR 114 N 1.12 2.81 -0.38 5.12 1.51 -1.25 -1.90 117.35 124.37 2kzn s TYR 114 Ca -0.03 0.92 0.04 0.00 -1.01 0.00 0.00 57.07 56.99 2kzn s TYR 114 Cb -0.19 -3.95 0.11 0.00 -0.11 0.00 0.00 41.96 37.81 2kzn s TYR 114 CO -0.07 -1.42 0.10 0.00 -1.11 0.00 0.00 175.55 173.06 2kzn s ILE 116 N 0.60 5.04 -0.25 0.00 -1.09 -1.26 -1.82 121.20 122.43 2kzn s ILE 116 Ca 0.12 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.09 2kzn s ILE 116 Cb -0.21 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 2kzn s ILE 116 CO -0.06 0.46 2.23 0.59 -1.23 0.00 0.00 174.94 176.92 2kzn n ASN 117 N 1.49 3.04 -0.20 3.58 3.02 -0.58 -3.94 115.26 121.67 2kzn n ASN 117 Ca -0.15 0.21 0.05 0.00 -0.03 0.00 0.00 54.58 54.66 2kzn n ASN 117 Cb 0.53 -1.51 0.32 0.00 -0.61 0.00 0.00 39.78 38.52 2kzn n ASN 117 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2kzn h SER 118 N 14.77 0.72 -0.46 6.41 0.02 -1.83 -1.50 113.55 131.68 2kzn h SER 118 Ca -0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2kzn h SER 118 Cb 1.26 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2kzn h SER 118 CO 0.98 0.48 0.28 0.00 -1.14 0.00 0.00 176.83 177.42 2kzn h ALA 119 N 1.59 1.60 0.00 3.77 0.00 -1.86 -2.97 119.26 121.38 2kzn h ALA 119 Ca 0.31 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2kzn h ALA 119 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kzn h ALA 119 CO -0.10 0.35 -0.41 0.00 0.00 0.00 0.00 179.25 179.08 2kzn h ALA 120 N 1.65 1.19 -2.30 0.00 0.00 -1.59 -3.45 119.26 114.77 2kzn h ALA 120 Ca 0.17 -0.38 -0.49 0.00 0.00 0.00 0.00 54.91 54.22 2kzn h ALA 120 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kzn h ALA 120 CO -0.03 0.52 -0.17 -0.51 0.00 0.00 0.00 179.25 179.06 2kzn s LEU 121 N -7.74 4.00 -0.13 0.00 1.43 -1.12 -1.10 118.68 114.02 2kzn s LEU 121 Ca -0.02 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2kzn s LEU 121 Cb 0.13 -3.39 0.06 0.00 0.03 0.00 0.00 46.19 43.02 2kzn s LEU 121 CO 0.72 -0.28 0.27 -0.60 0.23 0.00 0.00 176.35 176.69 2kzn s ARG 122 N -4.14 0.20 0.08 1.70 3.52 0.62 -4.78 118.95 116.14 2kzn s ARG 122 Ca 0.41 0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 56.40 2kzn s ARG 122 Cb -0.10 -0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.19 2kzn s ARG 122 CO 0.35 -0.23 0.93 -0.59 -0.81 0.00 0.00 175.30 174.96 2kzn s PHE 123 N 1.90 3.77 -0.29 5.12 -0.71 -1.25 -1.38 117.98 125.13 2kzn s PHE 123 Ca -0.04 1.73 -0.00 0.00 -1.04 0.00 0.00 56.93 57.58 2kzn s PHE 123 Cb -0.11 -3.03 0.09 0.00 -1.21 0.00 0.00 43.02 38.76 2kzn s PHE 123 CO -0.09 0.18 0.07 0.08 -1.34 0.00 0.00 175.22 174.12 2kzn s VAL 124 N 0.17 1.06 0.44 -2.49 1.01 -0.07 -4.85 120.40 115.67 2kzn s VAL 124 Ca 0.46 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 2kzn s VAL 124 Cb -0.22 -1.73 -0.12 0.00 0.00 0.00 0.00 36.38 34.31 2kzn s VAL 124 CO 0.28 -0.57 0.58 -2.65 0.00 0.00 0.00 175.10 172.74 2kzn n PRO 125 N 4.78 0.62 0.25 2.72 -0.02 -1.24 -1.35 135.00 140.77 2kzn n PRO 125 Ca -0.03 0.23 0.17 0.00 -2.02 0.00 0.00 63.50 61.85 2kzn n PRO 125 Cb 0.43 -1.57 0.82 0.00 -0.02 0.00 0.00 33.50 33.16 2kzn n PRO 125 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2kzn h LYS 126 N 0.79 0.00 0.00 -0.52 5.09 -1.93 0.19 116.57 120.19 2kzn h LYS 126 Ca -0.41 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.14 2kzn h LYS 126 Cb 1.39 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.70 2kzn h LYS 126 CO 0.51 0.00 -0.96 1.25 -2.09 0.00 0.00 179.45 178.17 2kzn h HIS 127 N 0.00 0.00 0.00 0.07 2.76 -1.96 -3.22 115.15 112.80 2kzn h HIS 127 Ca 0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 2kzn h HIS 127 Cb 0.17 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 2kzn h HIS 127 CO 0.00 0.85 -1.37 -0.22 -1.30 0.00 0.00 177.93 175.89 2kzn h LYS 128 N 0.00 0.00 -0.63 5.26 1.63 -1.22 -3.29 116.57 118.32 2kzn h LYS 128 Ca -0.04 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2kzn h LYS 128 Cb 1.68 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.29 2kzn h LYS 128 CO 0.10 0.65 0.24 -0.07 -3.45 0.00 0.00 179.45 176.92 2kzn h LEU 129 N 0.00 0.89 -1.04 5.20 3.38 -0.84 -2.48 115.31 120.42 2kzn h LEU 129 Ca -0.16 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2kzn h LEU 129 Cb 1.86 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2kzn h LEU 129 CO 0.09 0.83 -0.33 0.50 0.09 0.00 0.00 178.44 179.63 2kzn h LYS 130 N 0.90 0.00 -0.06 1.13 1.63 -1.66 0.43 116.57 118.94 2kzn h LYS 130 Ca 0.21 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 2kzn h LYS 130 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2kzn h LYS 130 CO -0.01 0.33 -0.15 1.49 -3.45 0.00 0.00 179.45 177.65 2kzn h GLU 131 N 0.00 0.21 -0.80 1.90 4.81 -1.52 -3.20 114.58 115.97 2kzn h GLU 131 Ca -0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2kzn h GLU 131 Cb 0.82 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2kzn h GLU 131 CO 0.04 0.75 0.05 -0.85 -0.73 0.00 0.00 179.01 178.27 2kzn n GLU 132 N -4.61 2.98 -2.53 1.92 0.28 -1.01 -4.90 120.64 112.77 2kzn n GLU 132 Ca -0.08 -1.74 -0.18 0.00 -0.16 0.00 0.00 57.16 54.99 2kzn n GLU 132 Cb 0.39 -1.89 0.00 0.00 1.43 0.00 0.00 31.44 31.37 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kzn n GLY 133 N 0.24 -0.37 1.62 -1.84 0.00 -1.06 -4.90 105.19 98.89 2kzn n GLY 133 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.13 0.97 -0.16 1.61 4.02 0.12 -4.70 117.16 114.90 2kzn n TYR 134 Ca -0.17 -1.38 0.15 0.00 -0.01 0.00 0.00 57.90 56.49 2kzn n TYR 134 Cb 0.64 -0.68 0.51 0.00 -0.02 0.00 0.00 39.34 39.79 2kzn n TYR 134 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2kzn h GLU 135 N 0.96 0.40 0.00 -0.72 5.08 -1.91 0.47 114.58 118.86 2kzn h GLU 135 Ca 0.19 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kzn h GLU 135 Cb 1.16 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kzn h GLU 135 CO 0.44 0.26 -0.02 1.03 -1.00 0.00 0.00 179.01 179.73 2kzn h SER 136 N 0.41 0.00 0.67 1.42 0.87 -1.98 -3.12 113.55 111.83 2kzn h SER 136 Ca 0.36 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.67 2kzn h SER 136 Cb 0.83 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2kzn h SER 136 CO -0.11 0.01 -1.14 1.88 -0.53 0.00 0.00 176.83 176.94 2kzn h TYR 137 N 0.00 0.39 0.00 2.24 -1.99 -1.29 -3.13 116.97 113.20 2kzn h TYR 137 Ca -0.00 -0.27 -0.06 0.00 2.00 0.00 0.00 58.73 60.39 2kzn h TYR 137 Cb 1.01 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 2kzn h TYR 137 CO 0.00 1.19 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.98 2kzn h LEU 138 N 0.08 0.00 -1.76 3.88 4.07 -1.47 -2.74 115.31 117.37 2kzn h LEU 138 Ca -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 2kzn h LEU 138 Cb 1.86 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.59 2kzn h LEU 138 CO 0.18 0.30 -0.11 -0.74 -1.08 0.00 0.00 178.44 176.99 2kzn h HIS 139 N 0.00 0.01 0.04 1.13 2.76 -1.54 0.23 115.15 117.77 2kzn h HIS 139 Ca -0.00 -0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.94 2kzn h HIS 139 Cb 0.54 -0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.52 2kzn h HIS 139 CO 0.00 0.12 -0.91 -0.07 -1.30 0.00 0.00 177.93 175.77 2kzn h LEU 140 N 0.01 0.73 -0.37 0.26 3.38 -1.58 -3.35 115.31 114.39 2kzn h LEU 140 Ca 0.00 -0.78 -0.19 0.00 0.09 0.00 0.00 57.88 57.00 2kzn h LEU 140 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kzn h LEU 140 CO 0.01 1.43 -0.80 0.15 0.09 0.00 0.00 178.44 179.33 2kzn h PHE 141 N 0.13 0.37 -2.60 1.13 3.57 -1.34 -3.48 116.94 114.72 2kzn h PHE 141 Ca -0.12 -0.18 0.12 0.00 3.53 0.00 0.00 57.97 61.32 2kzn h PHE 141 Cb 1.60 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 2kzn h PHE 141 CO 0.13 0.95 0.47 1.21 -2.23 0.00 0.00 178.31 178.84 2kzn s ASN 142 N -6.95 -0.06 -0.00 0.41 2.47 0.75 -5.11 114.94 106.45 2kzn s ASN 142 Ca -0.04 -0.69 0.01 0.00 0.42 0.00 0.00 52.86 52.56 2kzn s ASN 142 Cb 0.10 0.58 -0.04 0.00 -1.45 0.00 0.00 41.25 40.45 2kzn s ASN 142 CO 0.83 -1.13 0.02 -1.59 -3.72 0.00 0.00 177.10 171.50 2kzn s LYS 143 N -2.63 2.83 -0.08 0.43 0.00 -1.26 -3.71 119.74 115.32 2kzn s LYS 143 Ca 0.17 -0.59 -0.18 0.00 0.00 0.00 0.00 55.97 55.37 2kzn s LYS 143 Cb -0.03 -2.70 -0.05 0.00 0.00 0.00 0.00 37.83 35.05 2kzn s LYS 143 CO 0.06 0.63 0.50 -1.17 0.00 0.00 0.00 175.35 175.36 2kzn s LEU 144 N -1.59 4.33 -1.17 2.77 2.96 -1.26 -5.01 118.68 119.70 2kzn s LEU 144 Ca 0.20 0.91 -0.20 0.00 -0.22 0.00 0.00 54.13 54.82 2kzn s LEU 144 Cb -0.12 -2.74 0.06 0.00 0.50 0.00 0.00 46.19 43.90 2kzn s LEU 144 CO 0.11 0.06 1.61 -0.70 -1.32 0.00 0.00 176.35 176.10 2kzn s GLU 145 N 0.27 3.80 -0.96 1.98 2.12 -1.26 -4.92 118.70 119.72 2kzn s GLU 145 Ca 0.27 -1.59 -0.16 0.00 0.36 0.00 0.00 54.97 53.85 2kzn s GLU 145 Cb -0.16 -5.46 0.17 0.00 0.26 0.00 0.00 34.13 28.95 2kzn s GLU 145 CO 0.12 -2.25 1.09 -1.58 -0.54 0.00 0.00 175.26 172.10 2kzn s HIS 146 N 4.62 3.43 -2.35 5.30 5.65 -1.26 -5.35 115.29 125.33 2kzn s HIS 146 Ca 0.51 -1.75 0.29 0.00 0.25 0.00 0.00 55.06 54.35 2kzn s HIS 146 Cb 0.02 -4.14 1.31 0.00 -1.18 0.00 0.00 32.58 28.59 2kzn s HIS 146 CO -0.00 -1.31 1.89 1.58 -0.65 0.00 0.00 174.74 176.25