#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 2.24 -0.94 3.04 0.00 -1.26 -4.93 121.76 119.92 2kzn s ALA 2 Ca 0.00 -1.79 -0.20 0.00 0.00 0.00 0.00 51.96 49.97 2kzn s ALA 2 Cb 0.00 -4.51 0.11 0.00 0.00 0.00 0.00 23.12 18.72 2kzn s ALA 2 CO 0.00 -4.12 1.19 0.71 0.00 0.00 0.00 175.76 173.55 2kzn s TYR 3 N 7.42 2.96 0.80 0.00 2.02 -1.26 -4.90 117.35 124.39 2kzn s TYR 3 Ca 0.57 -1.21 -0.12 0.00 -0.37 0.00 0.00 57.07 55.93 2kzn s TYR 3 Cb -0.04 -4.38 0.07 0.00 -0.40 0.00 0.00 41.96 37.21 2kzn s TYR 3 CO -0.03 -1.60 1.14 -0.80 -1.57 0.00 0.00 175.55 172.69 2kzn s ASN 4 N 3.95 4.54 0.28 2.29 -0.87 -1.26 -4.91 114.94 118.96 2kzn s ASN 4 Ca 0.35 0.95 -0.01 0.00 -1.57 0.00 0.00 52.86 52.58 2kzn s ASN 4 Cb -0.04 -1.56 0.45 0.00 -0.02 0.00 0.00 41.25 40.08 2kzn s ASN 4 CO -0.09 -1.90 1.91 0.07 -2.57 0.00 0.00 177.10 174.53 2kzn h LYS 5 N -1.05 1.10 -0.15 -0.60 2.10 -2.00 -1.28 116.57 114.69 2kzn h LYS 5 Ca -0.47 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.11 2kzn h LYS 5 Cb 1.31 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 2kzn h LYS 5 CO 0.64 0.73 0.06 1.49 -2.00 0.00 0.00 179.45 180.37 2kzn h GLU 6 N 1.13 0.23 -0.01 0.07 4.81 -1.99 -2.64 114.58 116.18 2kzn h GLU 6 Ca 0.39 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2kzn h GLU 6 Cb 0.11 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kzn h GLU 6 CO -0.14 0.32 0.01 1.49 -0.73 0.00 0.00 179.01 179.96 2kzn h GLU 7 N 0.09 0.00 -0.04 1.92 4.57 -1.82 -1.14 114.58 118.17 2kzn h GLU 7 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2kzn h GLU 7 Cb 0.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2kzn h GLU 7 CO -0.00 0.00 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.59 2kzn h LYS 8 N 0.00 0.08 -0.88 1.92 1.63 -1.05 -3.30 116.57 114.97 2kzn h LYS 8 Ca 0.00 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2kzn h LYS 8 Cb 0.02 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 2kzn h LYS 8 CO -0.00 0.48 0.58 0.82 -3.45 0.00 0.00 179.45 177.88 2kzn h ILE 9 N -0.33 1.17 0.32 2.00 1.08 -0.87 -0.93 117.51 119.95 2kzn h ILE 9 Ca 0.01 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2kzn h ILE 9 Cb 0.46 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 2kzn h ILE 9 CO 0.01 0.21 -0.37 0.11 -0.69 0.00 0.00 178.15 177.41 2kzn h LYS 10 N 1.13 -0.71 0.05 2.37 1.57 -1.45 0.42 116.57 119.96 2kzn h LYS 10 Ca 0.34 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2kzn h LYS 10 Cb -0.02 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2kzn h LYS 10 CO -0.09 -0.47 -0.03 0.77 -0.57 0.00 0.00 179.45 179.06 2kzn h SER 11 N -0.73 -0.06 -0.63 0.86 0.02 -1.60 -3.21 113.55 108.19 2kzn h SER 11 Ca -0.02 -0.16 0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2kzn h SER 11 Cb 0.68 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.12 2kzn h SER 11 CO -0.09 0.13 -0.03 0.25 -1.14 0.00 0.00 176.83 175.94 2kzn h LEU 12 N -0.25 -0.35 -0.92 5.07 5.85 -1.05 -2.58 115.31 121.08 2kzn h LEU 12 Ca -0.01 0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 2kzn h LEU 12 Cb 0.22 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2kzn h LEU 12 CO 0.01 -0.14 -0.48 0.78 -0.34 0.00 0.00 178.44 178.27 2kzn h ASN 13 N 0.09 0.00 0.13 1.25 -0.26 -0.95 -0.06 115.58 115.79 2kzn h ASN 13 Ca 0.33 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.05 2kzn h ASN 13 Cb 0.54 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.79 2kzn h ASN 13 CO -0.57 0.48 -0.08 -0.09 -1.06 0.00 0.00 177.43 176.11 2kzn h ARG 14 N 0.00 0.00 0.00 0.81 9.65 -1.46 -0.98 114.38 122.40 2kzn h ARG 14 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kzn h ARG 14 Cb 0.95 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2kzn h ARG 14 CO 0.06 0.08 -0.17 0.52 2.80 0.00 0.00 179.97 183.27 2kzn h MET 15 N 0.00 0.00 0.25 0.20 2.86 -1.27 -3.37 114.93 113.61 2kzn h MET 15 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2kzn h MET 15 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2kzn h MET 15 CO 0.01 0.00 -0.12 1.96 1.06 0.00 0.00 176.91 179.82 2kzn h GLN 16 N -0.55 -0.33 -0.96 1.72 4.20 -1.06 -1.55 115.11 116.58 2kzn h GLN 16 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2kzn h GLN 16 Cb 0.17 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2kzn h GLN 16 CO 0.00 -0.01 0.61 -0.92 -0.67 0.00 0.00 178.83 177.84 2kzn h TYR 17 N -0.67 1.23 -0.92 2.96 3.20 -1.40 0.05 116.97 121.43 2kzn h TYR 17 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2kzn h TYR 17 Cb 0.47 -0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2kzn h TYR 17 CO 0.02 0.79 0.53 1.49 -1.64 0.00 0.00 178.16 179.36 2kzn h GLU 18 N 1.31 1.27 0.55 1.82 4.81 -1.53 -0.96 114.58 121.84 2kzn h GLU 18 Ca 0.35 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2kzn h GLU 18 Cb -0.11 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.02 2kzn h GLU 18 CO -0.07 0.91 -0.26 0.28 -0.73 0.00 0.00 179.01 179.13 2kzn h VAL 19 N 1.28 0.00 0.00 0.32 2.07 -0.21 -3.21 116.25 116.50 2kzn h VAL 19 Ca 0.33 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2kzn h VAL 19 Cb -0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2kzn h VAL 19 CO -0.06 0.00 0.00 0.41 0.02 0.00 0.00 177.57 177.94 2kzn n THR 20 N -4.44 1.07 -0.27 2.57 -1.04 -0.10 -0.43 114.28 111.64 2kzn n THR 20 Ca -0.09 0.38 -0.00 0.00 -2.04 0.00 0.00 64.05 62.29 2kzn n THR 20 Cb 0.29 -1.29 0.20 0.00 -1.82 0.00 0.00 70.33 67.71 2kzn n THR 20 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2kzn h GLN 21 N 0.00 1.10 0.00 -2.82 4.15 -1.17 -3.26 115.11 113.11 2kzn h GLN 21 Ca 0.00 -0.07 -0.14 0.00 0.77 0.00 0.00 58.65 59.21 2kzn h GLN 21 Cb 0.21 -0.25 -0.29 0.00 0.21 0.00 0.00 27.48 27.36 2kzn h GLN 21 CO 0.00 0.74 -0.90 -1.71 -1.93 0.00 0.00 178.83 175.03 2kzn n ASN 22 N -4.40 0.93 -2.68 -0.69 5.15 -0.85 -5.01 115.26 107.70 2kzn n ASN 22 Ca 0.09 -2.17 -0.12 0.00 -0.60 0.00 0.00 54.58 51.78 2kzn n ASN 22 Cb 0.03 -0.31 -0.01 0.00 -0.53 0.00 0.00 39.78 38.97 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 0.27 -3.21 -4.02 1.20 0.23 0.43 -4.93 115.26 105.22 2kzn n ASN 23 Ca 0.06 0.12 -0.30 0.00 -0.53 0.00 0.00 54.58 53.93 2kzn n ASN 23 Cb 1.04 -2.75 0.22 0.00 -2.08 0.00 0.00 39.78 36.21 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2kzn s GLY 24 N -2.19 1.62 -0.08 4.83 0.00 -0.27 -4.93 107.32 106.31 2kzn s GLY 24 Ca 0.10 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.74 2kzn s GLY 24 CO 0.12 -0.11 0.37 -1.59 0.00 0.00 0.00 173.10 171.88 2kzn s THR 25 N -3.22 5.18 0.36 0.90 2.01 -1.26 -4.80 115.64 114.82 2kzn s THR 25 Ca 0.71 0.73 -0.26 0.00 0.31 0.00 0.00 61.69 63.18 2kzn s THR 25 Cb -0.09 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 2kzn s THR 25 CO 0.55 0.48 1.08 -1.83 -0.69 0.00 0.00 174.62 174.21 2kzn s GLU 26 N -0.28 4.28 0.14 4.92 1.03 -1.26 -4.98 118.70 122.55 2kzn s GLU 26 Ca 0.21 1.65 -0.35 0.00 0.03 0.00 0.00 54.97 56.52 2kzn s GLU 26 Cb -0.15 -2.76 -0.15 0.00 -0.80 0.00 0.00 34.13 30.27 2kzn s GLU 26 CO 0.09 -0.07 1.39 -0.35 -1.33 0.00 0.00 175.26 175.00 2kzn n PRO 27 N 0.33 1.56 -1.99 -4.83 -0.04 -1.26 -4.88 135.00 123.89 2kzn n PRO 27 Ca 0.03 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.72 2kzn n PRO 27 Cb 0.48 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 2kzn n PRO 27 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2kzn s PRO 28 N 0.38 2.52 0.46 0.54 0.04 -1.26 -4.83 135.00 132.86 2kzn s PRO 28 Ca 0.79 0.33 0.23 0.00 0.04 0.00 0.00 61.00 62.39 2kzn s PRO 28 Cb -0.82 -4.66 1.13 0.00 0.04 0.00 0.00 34.50 30.19 2kzn s PRO 28 CO 0.45 -3.07 1.94 0.74 0.04 0.00 0.00 177.00 177.10 2kzn h PHE 29 N 13.84 0.00 -5.91 0.56 0.04 -1.98 -3.46 116.94 120.03 2kzn h PHE 29 Ca -0.12 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.21 2kzn h PHE 29 Cb 1.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 2kzn h PHE 29 CO 1.11 0.21 -0.70 1.04 -0.60 0.00 0.00 178.31 179.36 2kzn n GLN 30 N -3.64 -5.49 -4.16 1.51 1.13 -1.26 -4.98 117.38 100.49 2kzn n GLN 30 Ca -0.01 0.65 -0.25 0.00 -1.94 0.00 0.00 57.00 55.44 2kzn n GLN 30 Cb 0.34 -5.54 -0.06 0.00 0.11 0.00 0.00 30.24 25.09 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 -3.15 5.14 0.20 1.08 3.84 -1.26 -5.03 114.94 115.76 2kzn s ASN 31 Ca 0.58 -0.30 -0.09 0.00 0.21 0.00 0.00 52.86 53.25 2kzn s ASN 31 Cb -0.29 -1.21 0.12 0.00 -0.55 0.00 0.00 41.25 39.32 2kzn s ASN 31 CO 0.72 0.05 1.73 -0.33 -2.79 0.00 0.00 177.10 176.48 2kzn h GLU 32 N 2.30 1.09 0.00 0.43 5.08 -1.93 -1.04 114.58 120.51 2kzn h GLU 32 Ca -0.47 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 57.51 2kzn h GLU 32 Cb 1.21 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2kzn h GLU 32 CO 0.61 0.93 -0.70 1.88 -1.00 0.00 0.00 179.01 180.73 2kzn h TYR 33 N 1.03 0.00 -0.04 4.33 0.05 -2.00 -2.82 116.97 117.53 2kzn h TYR 33 Ca 0.23 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.91 2kzn h TYR 33 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2kzn h TYR 33 CO 0.02 0.70 -0.42 2.35 -1.05 0.00 0.00 178.16 179.76 2kzn h TRP 34 N 0.00 0.09 -1.22 4.88 2.91 -1.91 -2.98 115.95 117.73 2kzn h TRP 34 Ca -0.01 -0.02 -0.62 0.00 1.13 0.00 0.00 58.89 59.37 2kzn h TRP 34 Cb 1.32 -0.02 -0.24 0.00 -0.51 0.00 0.00 29.16 29.70 2kzn h TRP 34 CO 0.00 0.49 0.78 -3.47 -1.03 0.00 0.00 178.44 175.21 2kzn n ASP 35 N -4.03 7.27 -4.69 2.65 2.03 -0.42 -4.95 116.55 114.40 2kzn n ASP 35 Ca -0.02 -3.59 -0.42 0.00 0.52 0.00 0.00 54.79 51.28 2kzn n ASP 35 Cb 0.46 -1.06 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 2kzn n ASP 35 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2kzn s HIS 36 N -3.24 2.54 -0.11 -0.67 -3.43 -1.13 -4.91 115.29 104.34 2kzn s HIS 36 Ca 0.55 0.45 0.14 0.00 -0.80 0.00 0.00 55.06 55.39 2kzn s HIS 36 Cb 0.43 -3.89 0.28 0.00 -1.43 0.00 0.00 32.58 27.97 2kzn s HIS 36 CO -0.16 -3.52 1.14 1.17 -2.00 0.00 0.00 174.74 171.37 2kzn n LYS 37 N 5.50 0.97 -2.20 -0.38 3.00 -1.26 -5.06 118.16 118.72 2kzn n LYS 37 Ca 0.15 -2.40 -0.30 0.00 -0.00 0.00 0.00 58.31 55.76 2kzn n LYS 37 Cb 0.41 -1.17 -0.00 0.00 0.00 0.00 0.00 35.03 34.28 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2kzn s GLU 38 N -2.09 3.63 0.19 1.64 8.01 -1.26 -5.09 118.70 123.73 2kzn s GLU 38 Ca 0.28 0.59 0.11 0.00 0.01 0.00 0.00 54.97 55.96 2kzn s GLU 38 Cb 0.26 -2.19 -0.04 0.00 -4.31 0.00 0.00 34.13 27.85 2kzn s GLU 38 CO -0.02 -0.40 -0.23 -1.83 0.01 0.00 0.00 175.26 172.78 2kzn s GLU 39 N -4.86 1.50 0.00 1.61 -1.05 -1.26 -4.97 118.70 109.67 2kzn s GLU 39 Ca 0.53 -1.52 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 2kzn s GLU 39 Cb -0.11 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 31.80 2kzn s GLU 39 CO 0.48 0.38 0.00 0.41 0.95 0.00 0.00 175.26 177.48 2kzn n GLY 40 N 0.24 0.47 3.91 -3.83 0.00 -1.26 -2.46 105.19 102.26 2kzn n GLY 40 Ca -0.12 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 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 3.72 -0.12 0.99 1.43 -0.82 -1.34 118.68 122.54 2kzn s LEU 41 Ca 0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2kzn s LEU 41 Cb 0.00 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2kzn s LEU 41 CO 0.00 -0.42 -0.14 -0.72 0.23 0.00 0.00 176.35 175.30 2kzn s TYR 42 N -2.27 1.98 0.16 0.29 1.13 -0.64 -1.52 117.35 116.47 2kzn s TYR 42 Ca 0.43 -0.98 0.08 0.00 -1.41 0.00 0.00 57.07 55.19 2kzn s TYR 42 Cb -0.07 -1.45 -0.04 0.00 -1.10 0.00 0.00 41.96 39.30 2kzn s TYR 42 CO 0.28 -0.53 -0.18 0.14 -2.51 0.00 0.00 175.55 172.76 2kzn s VAL 43 N 1.16 1.74 -0.36 -3.49 -7.23 -0.57 -2.49 120.40 109.16 2kzn s VAL 43 Ca -0.03 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 2kzn s VAL 43 Cb -0.14 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.03 2kzn s VAL 43 CO -0.04 -0.32 1.05 -0.62 -0.31 0.00 0.00 175.10 174.85 2kzn s ASP 44 N -2.61 6.81 0.55 4.85 -1.08 -0.97 -0.34 116.67 123.88 2kzn s ASP 44 Ca 0.14 0.83 0.30 0.00 -0.52 0.00 0.00 52.55 53.30 2kzn s ASP 44 Cb -0.06 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.34 2kzn s ASP 44 CO 0.06 -0.94 1.90 0.40 0.52 0.00 0.00 175.17 177.10 2kzn h ILE 45 N 5.85 0.53 0.00 4.11 2.04 -1.74 0.35 117.51 128.64 2kzn h ILE 45 Ca -0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2kzn h ILE 45 Cb 1.06 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2kzn h ILE 45 CO 1.04 0.00 -0.00 -0.37 0.00 0.00 0.00 178.15 178.81 2kzn h VAL 46 N 0.00 0.38 0.00 1.67 -1.51 -1.91 -3.32 116.25 111.56 2kzn h VAL 46 Ca 0.36 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 2kzn h VAL 46 Cb 1.51 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2kzn h VAL 46 CO -0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.10 2kzn n SER 47 N -3.62 0.00 -1.96 4.19 2.88 -0.82 -5.00 113.62 109.29 2kzn n SER 47 Ca -0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.37 2kzn n SER 47 Cb 0.08 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.08 3.59 0.46 0.00 0.05 -5.01 105.19 104.20 2kzn n GLY 48 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -5.23 3.87 0.00 1.61 -0.14 -1.23 -4.88 119.74 113.75 2kzn s LYS 49 Ca 0.18 0.16 -0.33 0.00 -1.36 0.00 0.00 55.97 54.62 2kzn s LYS 49 Cb -0.08 -3.73 -0.12 0.00 -1.68 0.00 0.00 37.83 32.23 2kzn s LYS 49 CO 0.22 -0.53 1.84 -0.35 -0.76 0.00 0.00 175.35 175.78 2kzn n PRO 50 N 5.74 2.37 -0.10 -1.68 -0.04 -1.26 -2.30 135.00 137.73 2kzn n PRO 50 Ca -0.03 0.87 -0.12 0.00 -0.04 0.00 0.00 63.50 64.18 2kzn n PRO 50 Cb 0.49 -2.72 -0.12 0.00 -0.04 0.00 0.00 33.50 31.10 2kzn n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kzn n LEU 51 N 6.09 1.26 0.00 1.53 4.77 -1.04 -4.82 117.00 124.78 2kzn n LEU 51 Ca 0.21 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2kzn n LEU 51 Cb 0.32 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2kzn n LEU 51 CO 0.70 0.62 0.00 0.33 -1.33 0.00 0.00 177.39 177.71 2kzn n PHE 52 N -2.87 0.00 -3.23 -1.77 7.35 -1.21 0.02 117.46 115.75 2kzn n PHE 52 Ca -0.34 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.03 2kzn n PHE 52 Cb 1.01 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.78 2kzn n PHE 52 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2kzn s THR 53 N -2.03 4.75 -0.50 -2.13 -1.32 -1.26 -1.63 115.64 111.52 2kzn s THR 53 Ca 0.00 0.84 0.17 0.00 -1.21 0.00 0.00 61.69 61.49 2kzn s THR 53 Cb 0.00 -3.65 0.17 0.00 -1.51 0.00 0.00 72.50 67.51 2kzn s THR 53 CO 0.00 -0.08 1.52 -0.24 -2.21 0.00 0.00 174.62 173.61 2kzn n SER 54 N -0.10 0.42 0.10 8.08 2.88 -0.45 -2.78 113.62 121.77 2kzn n SER 54 Ca 0.01 0.66 0.09 0.00 -1.33 0.00 0.00 58.87 58.31 2kzn n SER 54 Cb 0.53 -0.73 0.43 0.00 -0.75 0.00 0.00 64.21 63.68 2kzn n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kzn n LYS 55 N -2.03 0.12 -0.51 -1.46 4.01 -1.26 -1.56 118.16 115.48 2kzn n LYS 55 Ca 0.00 0.44 0.08 0.00 -0.51 0.00 0.00 58.31 58.33 2kzn n LYS 55 Cb 0.08 -1.78 0.30 0.00 -0.51 0.00 0.00 35.03 33.13 2kzn n LYS 55 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2kzn n ASP 56 N -2.02 4.27 -4.62 4.39 2.03 -1.12 -4.96 116.55 114.53 2kzn n ASP 56 Ca 0.01 -2.51 -0.43 0.00 0.52 0.00 0.00 54.79 52.38 2kzn n ASP 56 Cb 0.15 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.95 3.76 0.32 -0.67 2.47 -0.60 -4.32 119.74 118.74 2kzn s LYS 57 Ca 0.44 1.20 0.07 0.00 -1.56 0.00 0.00 55.97 56.13 2kzn s LYS 57 Cb 0.30 -3.96 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 2kzn s LYS 57 CO 0.19 -1.33 0.28 -0.06 0.16 0.00 0.00 175.35 174.59 2kzn s PHE 58 N 4.95 2.96 -0.00 4.03 0.08 -1.22 -5.06 117.98 123.72 2kzn s PHE 58 Ca 0.61 -0.26 -0.33 0.00 0.12 0.00 0.00 56.93 57.07 2kzn s PHE 58 Cb -0.17 -1.72 -0.12 0.00 -0.57 0.00 0.00 43.02 40.44 2kzn s PHE 58 CO 0.28 0.24 1.81 -0.40 -0.10 0.00 0.00 175.22 177.06 2kzn n ASP 59 N -1.35 3.48 -4.05 1.36 5.75 -1.26 -4.44 116.55 116.05 2kzn n ASP 59 Ca -0.03 0.99 -0.41 0.00 -0.01 0.00 0.00 54.79 55.33 2kzn n ASP 59 Cb 0.59 -1.41 -0.01 0.00 -1.03 0.00 0.00 41.12 39.26 2kzn n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kzn n SER 60 N 5.87 5.64 0.00 -1.12 3.41 -1.26 -4.82 113.62 121.35 2kzn n SER 60 Ca 0.21 -3.28 0.10 0.00 -0.26 0.00 0.00 58.87 55.63 2kzn n SER 60 Cb 0.31 -1.21 0.44 0.00 -0.26 0.00 0.00 64.21 63.48 2kzn n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kzn n GLN 61 N 1.76 0.00 0.08 4.33 10.64 -1.26 -1.45 117.38 131.47 2kzn n GLN 61 Ca 0.25 0.15 0.13 0.00 -1.83 0.00 0.00 57.00 55.70 2kzn n GLN 61 Cb 0.36 -1.50 0.46 0.00 -0.86 0.00 0.00 30.24 28.70 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kzn n GLY 63 N 0.98 2.91 3.67 0.00 0.00 -0.53 -5.03 105.19 107.20 2kzn n GLY 63 Ca 0.05 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2kzn n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kzn s TRP 64 N 0.00 2.88 -0.50 1.61 0.51 -1.26 -4.93 118.94 117.25 2kzn s TRP 64 Ca 0.00 0.99 -0.46 0.00 -2.12 0.00 0.00 56.10 54.51 2kzn s TRP 64 Cb 0.00 -3.52 -0.20 0.00 -0.81 0.00 0.00 33.47 28.94 2kzn s TRP 64 CO 0.00 -1.79 1.75 -2.30 -0.51 0.00 0.00 176.95 174.10 2kzn n PRO 65 N 6.20 0.00 -4.53 4.98 -0.02 -0.73 -4.64 135.00 136.26 2kzn n PRO 65 Ca 0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.28 2kzn n PRO 65 Cb 0.45 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.31 2kzn n PRO 65 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kzn s SER 66 N 3.85 4.65 0.07 2.55 0.01 -1.26 -1.59 113.70 121.98 2kzn s SER 66 Ca 1.09 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 58.26 2kzn s SER 66 Cb -1.50 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.14 2kzn s SER 66 CO 0.77 0.23 -0.08 -0.36 0.41 0.00 0.00 173.24 174.22 2kzn s PHE 67 N -0.04 0.81 -1.71 2.43 0.08 -0.38 -3.40 117.98 115.77 2kzn s PHE 67 Ca 0.00 -0.68 0.16 0.00 0.12 0.00 0.00 56.93 56.54 2kzn s PHE 67 Cb -0.13 -0.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.89 2kzn s PHE 67 CO 0.03 -0.10 0.92 0.25 -0.10 0.00 0.00 175.22 176.22 2kzn n THR 68 N 0.77 0.00 -3.53 0.64 -2.24 -1.26 -2.98 114.28 105.67 2kzn n THR 68 Ca -0.18 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 2kzn n THR 68 Cb 0.57 1.25 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 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 -1.72 0.23 0.50 -0.78 2.47 -1.26 -4.12 119.74 115.06 2kzn s LYS 69 Ca 0.16 0.57 0.03 0.00 -1.56 0.00 0.00 55.97 55.17 2kzn s LYS 69 Cb 0.13 -0.43 0.09 0.00 -1.46 0.00 0.00 37.83 36.16 2kzn s LYS 69 CO 0.33 -0.48 0.68 -0.35 0.16 0.00 0.00 175.35 175.70 2kzn n PRO 70 N 5.35 0.36 -3.28 4.03 -0.04 -1.26 -4.86 135.00 135.29 2kzn n PRO 70 Ca -0.06 -2.18 -0.43 0.00 -0.04 0.00 0.00 63.50 60.80 2kzn n PRO 70 Cb 0.50 -0.35 -0.08 0.00 -0.04 0.00 0.00 33.50 33.52 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 -2.01 5.04 -0.29 0.52 1.01 0.10 -4.93 121.20 120.64 2kzn s ILE 71 Ca 0.48 -0.14 0.27 0.00 0.00 0.00 0.00 60.65 61.26 2kzn s ILE 71 Cb -0.03 -4.04 0.30 0.00 0.01 0.00 0.00 42.46 38.70 2kzn s ILE 71 CO 0.31 -0.40 1.81 -0.08 0.00 0.00 0.00 174.94 176.58 2kzn h GLU 72 N 8.70 0.00 -0.07 2.79 4.81 -1.89 -2.02 114.58 126.90 2kzn h GLU 72 Ca -0.27 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.72 2kzn h GLU 72 Cb 1.11 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.51 2kzn h GLU 72 CO 0.80 0.00 -0.90 0.93 -0.73 0.00 0.00 179.01 179.11 2kzn h GLU 73 N 0.00 0.73 0.00 1.92 5.08 -1.97 -3.34 114.58 117.01 2kzn h GLU 73 Ca 0.00 -0.70 -0.25 0.00 -1.00 0.00 0.00 59.36 57.41 2kzn h GLU 73 Cb 0.44 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2kzn h GLU 73 CO 0.00 1.29 -2.27 -1.91 -1.00 0.00 0.00 179.01 175.12 2kzn n GLU 74 N -3.91 0.68 -3.49 2.33 4.07 -1.16 -4.91 120.64 114.24 2kzn n GLU 74 Ca -0.09 -0.07 -0.38 0.00 -0.06 0.00 0.00 57.16 56.56 2kzn n GLU 74 Cb 0.81 -1.52 -0.09 0.00 -0.06 0.00 0.00 31.44 30.58 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2kzn s VAL 75 N -2.82 5.25 -0.11 6.31 1.01 -0.77 -3.73 120.40 125.54 2kzn s VAL 75 Ca -0.09 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2kzn s VAL 75 Cb 0.09 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2kzn s VAL 75 CO 0.86 0.24 -0.16 -0.70 0.00 0.00 0.00 175.10 175.34 2kzn s GLU 76 N 1.58 3.22 -0.32 2.72 2.56 -0.82 -4.50 118.70 123.13 2kzn s GLU 76 Ca 0.13 -0.74 -0.26 0.00 0.00 0.00 0.00 54.97 54.10 2kzn s GLU 76 Cb -0.15 -2.52 0.01 0.00 2.00 0.00 0.00 34.13 33.47 2kzn s GLU 76 CO 0.08 0.24 0.93 -2.00 -0.56 0.00 0.00 175.26 173.96 2kzn s GLU 77 N 0.25 3.99 -0.14 4.30 -6.30 -1.26 -1.58 118.70 117.96 2kzn s GLU 77 Ca -0.11 0.80 -0.02 0.00 -2.50 0.00 0.00 54.97 53.13 2kzn s GLU 77 Cb -0.16 -3.74 0.05 0.00 0.00 0.00 0.00 34.13 30.27 2kzn s GLU 77 CO 0.06 -0.82 0.02 0.15 0.02 0.00 0.00 175.26 174.69 2kzn s LYS 78 N 3.33 0.62 0.08 4.30 1.02 -0.78 -5.02 119.74 123.29 2kzn s LYS 78 Ca 0.39 -0.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.90 2kzn s LYS 78 Cb -0.13 -1.60 -0.07 0.00 -0.52 0.00 0.00 37.83 35.52 2kzn s LYS 78 CO 0.15 -0.49 1.35 -1.17 -0.92 0.00 0.00 175.35 174.27 2kzn s LEU 79 N 1.92 4.36 0.11 3.17 2.96 -1.26 -1.02 118.68 128.92 2kzn s LEU 79 Ca 0.02 2.21 0.11 0.00 -0.22 0.00 0.00 54.13 56.25 2kzn s LEU 79 Cb -0.15 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2kzn s LEU 79 CO -0.07 -0.63 -0.27 -0.62 -1.32 0.00 0.00 176.35 173.45 2kzn s ASP 80 N 1.27 3.26 0.00 3.68 2.15 0.14 -4.92 116.67 122.25 2kzn s ASP 80 Ca 0.63 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.90 2kzn s ASP 80 Cb -0.34 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 2kzn s ASP 80 CO 0.29 0.19 0.01 0.35 -0.17 0.00 0.00 175.17 175.84 2kzn n THR 81 N 1.11 0.00 0.16 1.71 -2.24 -1.25 -2.08 114.28 111.68 2kzn n THR 81 Ca -0.18 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2kzn n THR 81 Cb 0.53 1.07 0.28 0.00 -2.10 0.00 0.00 70.33 70.10 2kzn n THR 81 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2kzn h SER 82 N 0.00 0.01 -0.33 3.42 4.64 -1.96 -3.17 113.55 116.17 2kzn h SER 82 Ca 0.00 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2kzn h SER 82 Cb 0.03 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.02 2kzn h SER 82 CO 0.00 0.48 0.23 1.41 -0.87 0.00 0.00 176.83 178.08 2kzn n HIS 83 N -3.98 1.03 -0.85 4.77 8.25 -1.26 -4.81 115.22 118.37 2kzn n HIS 83 Ca -0.02 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 2kzn n HIS 83 Cb 0.49 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 0.07 0.62 2.99 -1.41 0.00 -1.20 -4.97 105.19 101.29 2kzn n GLY 84 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.39 0.62 -0.37 1.61 -1.94 -1.26 -5.10 119.30 112.48 2kzn s MET 85 Ca 0.00 -0.25 -0.29 0.00 -1.71 0.00 0.00 55.69 53.44 2kzn s MET 85 Cb 0.00 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.24 2kzn s MET 85 CO 0.00 0.14 1.45 -1.50 -0.01 0.00 0.00 175.02 175.10 2kzn s ILE 86 N -0.09 3.88 0.25 2.53 1.10 -1.26 -3.91 121.20 123.70 2kzn s ILE 86 Ca 0.02 0.93 -0.19 0.00 -0.51 0.00 0.00 60.65 60.89 2kzn s ILE 86 Cb -0.04 -4.09 0.02 0.00 0.15 0.00 0.00 42.46 38.50 2kzn s ILE 86 CO -0.00 -0.63 0.62 0.00 -2.11 0.00 0.00 174.94 172.81 2kzn s ARG 87 N 4.86 1.61 0.02 3.50 1.70 -0.88 -4.94 118.95 124.82 2kzn s ARG 87 Ca 0.63 -0.97 0.09 0.00 -0.47 0.00 0.00 55.73 55.00 2kzn s ARG 87 Cb -0.16 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 2kzn s ARG 87 CO 0.31 -0.71 -0.25 0.99 -1.08 0.00 0.00 175.30 174.55 2kzn s THR 88 N -3.92 2.18 -0.03 4.99 2.01 -1.06 -0.68 115.64 119.12 2kzn s THR 88 Ca 0.12 -1.27 0.05 0.00 0.31 0.00 0.00 61.69 60.90 2kzn s THR 88 Cb -0.03 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 2kzn s THR 88 CO 0.04 0.44 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.60 2kzn s GLU 89 N -1.05 1.80 -0.19 4.92 2.02 -0.19 -1.02 118.70 124.99 2kzn s GLU 89 Ca 0.11 -0.67 -0.17 0.00 0.02 0.00 0.00 54.97 54.26 2kzn s GLU 89 Cb -0.10 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 2kzn s GLU 89 CO 0.01 0.32 0.45 0.14 0.02 0.00 0.00 175.26 176.21 2kzn s VAL 90 N -0.16 5.16 -0.03 2.63 -7.23 -1.04 -1.87 120.40 117.87 2kzn s VAL 90 Ca 0.00 0.82 0.03 0.00 -1.81 0.00 0.00 61.98 61.03 2kzn s VAL 90 Cb -0.10 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2kzn s VAL 90 CO 0.01 0.23 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.79 2kzn s ARG 91 N 1.38 1.17 0.57 4.82 0.52 -0.61 -3.76 118.95 123.03 2kzn s ARG 91 Ca 0.22 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2kzn s ARG 91 Cb -0.15 -1.07 0.05 0.00 0.52 0.00 0.00 34.95 34.31 2kzn s ARG 91 CO 0.09 0.16 0.79 0.45 0.02 0.00 0.00 175.30 176.80 2kzn s SER 92 N 0.12 5.12 -0.07 0.23 0.15 -1.05 -1.95 113.70 116.25 2kzn s SER 92 Ca -0.03 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.24 2kzn s SER 92 Cb -0.09 -0.53 -0.10 0.00 -1.71 0.00 0.00 66.02 63.59 2kzn s SER 92 CO 0.01 -1.25 0.52 0.03 1.20 0.00 0.00 173.24 173.74 2kzn h ARG 93 N 0.05 -0.20 0.00 5.44 2.47 -1.93 -3.31 114.38 116.90 2kzn h ARG 93 Ca -0.39 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.26 2kzn h ARG 93 Cb 1.29 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 2kzn h ARG 93 CO 0.47 0.09 -0.52 1.15 0.56 0.00 0.00 179.97 181.73 2kzn h THR 94 N -1.00 1.03 -0.02 2.04 2.02 -1.97 -3.39 112.91 111.63 2kzn h THR 94 Ca -0.02 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2kzn h THR 94 Cb 0.38 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2kzn h THR 94 CO 0.04 0.35 0.00 0.00 0.37 0.00 0.00 175.52 176.27 2kzn n ALA 95 N -3.04 2.52 -0.17 6.16 0.00 -1.26 -4.83 120.51 119.89 2kzn n ALA 95 Ca -0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 2kzn n ALA 95 Cb 0.46 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2kzn n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kzn n ASP 96 N -0.12 -0.43 -0.04 0.00 2.03 -1.25 -1.68 116.55 115.06 2kzn n ASP 96 Ca 0.01 1.12 0.12 0.00 0.52 0.00 0.00 54.79 56.56 2kzn n ASP 96 Cb 0.20 -0.29 0.31 0.00 -0.72 0.00 0.00 41.12 40.62 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kzn n SER 97 N -3.93 0.53 0.12 1.67 7.64 -1.26 -2.54 113.62 115.86 2kzn n SER 97 Ca 0.01 -0.28 0.07 0.00 1.01 0.00 0.00 58.87 59.68 2kzn n SER 97 Cb 0.11 0.16 0.03 0.00 -1.01 0.00 0.00 64.21 63.50 2kzn n SER 97 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kzn h HIS 98 N 0.18 0.00 0.00 1.43 3.86 -1.68 -3.43 115.15 115.51 2kzn h HIS 98 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kzn h HIS 98 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2kzn h HIS 98 CO 0.00 0.22 0.00 1.28 0.86 0.00 0.00 177.93 180.29 2kzn n LEU 99 N -2.93 0.00 0.00 2.43 4.77 -1.24 -4.74 117.00 115.29 2kzn n LEU 99 Ca -0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2kzn n LEU 99 Cb 0.64 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2kzn n LEU 99 CO 0.39 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2kzn n GLY 100 N -0.64 -0.61 3.09 -0.72 0.00 -1.25 -4.31 105.19 100.74 2kzn n GLY 100 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 2kzn n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kzn s HIS 101 N -3.00 0.68 -0.03 1.61 0.09 -1.18 -2.49 115.29 110.96 2kzn s HIS 101 Ca 0.00 -0.68 0.02 0.00 -0.00 0.00 0.00 55.06 54.40 2kzn s HIS 101 Cb 0.00 -0.41 0.01 0.00 -0.00 0.00 0.00 32.58 32.18 2kzn s HIS 101 CO 0.00 -0.14 -0.08 0.14 -0.00 0.00 0.00 174.74 174.66 2kzn s VAL 102 N -2.28 0.72 0.13 -0.90 -7.23 -0.19 -2.94 120.40 107.71 2kzn s VAL 102 Ca -0.03 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2kzn s VAL 102 Cb -0.04 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.20 2kzn s VAL 102 CO -0.02 0.24 0.32 -0.36 -0.31 0.00 0.00 175.10 174.97 2kzn s PHE 103 N 0.33 3.49 -1.50 2.82 0.08 -1.04 -2.56 117.98 119.59 2kzn s PHE 103 Ca -0.05 0.40 0.06 0.00 0.12 0.00 0.00 56.93 57.47 2kzn s PHE 103 Cb -0.10 -1.89 0.24 0.00 -0.57 0.00 0.00 43.02 40.71 2kzn s PHE 103 CO 0.01 0.47 1.08 0.09 -0.10 0.00 0.00 175.22 176.76 2kzn n ASN 104 N -0.02 1.82 -1.14 1.36 4.13 -1.26 -0.75 115.26 119.39 2kzn n ASN 104 Ca -0.04 -2.12 -0.00 0.00 1.68 0.00 0.00 54.58 54.10 2kzn n ASN 104 Cb 0.52 -0.32 0.23 0.00 -1.54 0.00 0.00 39.78 38.66 2kzn n ASN 104 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kzn n ASP 105 N 0.22 3.18 -3.51 6.41 9.92 -1.26 -4.93 116.55 126.59 2kzn n ASP 105 Ca 0.09 -3.44 -0.16 0.00 -0.53 0.00 0.00 54.79 50.74 2kzn n ASP 105 Cb 0.35 -0.62 -0.05 0.00 -0.64 0.00 0.00 41.12 40.17 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kzn s GLY 106 N -2.18 -0.56 0.22 0.44 0.00 -1.26 -4.98 107.32 99.00 2kzn s GLY 106 Ca 0.45 0.98 -0.24 0.00 0.00 0.00 0.00 44.72 45.90 2kzn s GLY 106 CO 0.04 0.64 0.81 2.56 0.00 0.00 0.00 173.10 177.15 2kzn s PRO 107 N -2.05 4.51 0.00 2.90 0.04 -1.26 -2.80 135.00 136.34 2kzn s PRO 107 Ca -0.07 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2kzn s PRO 107 Cb -0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2kzn s PRO 107 CO 0.02 0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.93 2kzn n GLY 108 N 1.13 1.53 0.24 0.56 0.00 -1.07 -4.65 105.19 102.94 2kzn n GLY 108 Ca -0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.02 -0.01 1.61 0.11 -1.81 -2.04 132.00 129.84 2kzn h PRO 109 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kzn h PRO 109 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kzn h PRO 109 CO 0.00 -0.01 -0.49 -1.71 -0.21 0.00 0.00 178.00 175.58 2kzn n ASN 110 N -5.42 1.87 -0.15 -2.05 5.15 -1.26 -4.93 115.26 108.48 2kzn n ASN 110 Ca 0.07 -1.44 0.00 0.00 -0.60 0.00 0.00 54.58 52.61 2kzn n ASN 110 Cb 0.32 0.52 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 2kzn n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kzn n GLY 111 N 1.37 1.04 3.75 8.20 0.00 -0.77 -5.12 105.19 113.67 2kzn n GLY 111 Ca 0.08 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2kzn n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzn s LEU 112 N -0.29 3.14 -0.27 0.99 1.43 -1.12 -4.48 118.68 118.08 2kzn s LEU 112 Ca 0.00 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 2kzn s LEU 112 Cb 0.00 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.78 2kzn s LEU 112 CO 0.00 -0.54 -0.08 -0.60 0.23 0.00 0.00 176.35 175.36 2kzn s ARG 113 N -3.92 2.21 -0.78 1.70 3.00 0.07 -2.60 118.95 118.62 2kzn s ARG 113 Ca 0.42 -1.38 -0.26 0.00 -1.00 0.00 0.00 55.73 53.50 2kzn s ARG 113 Cb 0.03 -2.96 0.03 0.00 0.00 0.00 0.00 34.95 32.05 2kzn s ARG 113 CO 0.23 -0.61 1.35 -0.47 0.00 0.00 0.00 175.30 175.80 2kzn s TYR 114 N 1.11 2.28 -0.32 5.12 5.04 -1.16 -2.50 117.35 126.92 2kzn s TYR 114 Ca -0.07 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.44 2kzn s TYR 114 Cb -0.20 -4.61 0.08 0.00 0.35 0.00 0.00 41.96 37.59 2kzn s TYR 114 CO -0.05 -2.06 0.02 0.00 -1.34 0.00 0.00 175.55 172.12 2kzn s ILE 116 N 1.06 3.22 0.42 0.00 -1.09 -0.62 -3.12 121.20 121.07 2kzn s ILE 116 Ca 0.02 -1.56 -0.07 0.00 -2.23 0.00 0.00 60.65 56.81 2kzn s ILE 116 Cb -0.20 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 2kzn s ILE 116 CO -0.05 -0.05 0.74 0.54 -1.23 0.00 0.00 174.94 174.89 2kzn s ASN 117 N -2.66 6.38 0.37 3.58 2.20 -1.26 -1.77 114.94 121.77 2kzn s ASN 117 Ca 0.24 0.95 0.19 0.00 -0.94 0.00 0.00 52.86 53.30 2kzn s ASN 117 Cb -0.09 -2.25 0.53 0.00 -2.00 0.00 0.00 41.25 37.44 2kzn s ASN 117 CO 0.15 -0.45 1.66 0.28 -2.94 0.00 0.00 177.10 175.79 2kzn h SER 118 N 0.79 0.00 -0.13 3.54 0.02 -1.94 -3.16 113.55 112.68 2kzn h SER 118 Ca -0.47 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 2kzn h SER 118 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2kzn h SER 118 CO 0.63 0.36 -0.32 0.00 -1.14 0.00 0.00 176.83 176.35 2kzn h ALA 119 N 1.64 0.89 -0.01 3.77 0.00 -1.97 -3.02 119.26 120.57 2kzn h ALA 119 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2kzn h ALA 119 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kzn h ALA 119 CO 0.05 0.63 -0.42 0.00 0.00 0.00 0.00 179.25 179.50 2kzn h ALA 120 N 1.12 1.29 -2.51 0.00 0.00 -1.84 -3.45 119.26 113.88 2kzn h ALA 120 Ca 0.06 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 2kzn h ALA 120 Cb 0.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2kzn h ALA 120 CO 0.07 0.53 -0.29 -0.51 0.00 0.00 0.00 179.25 179.05 2kzn s LEU 121 N -8.09 4.19 -0.10 0.00 1.43 -1.14 -2.19 118.68 112.78 2kzn s LEU 121 Ca -0.03 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 2kzn s LEU 121 Cb 0.14 -3.25 0.04 0.00 0.03 0.00 0.00 46.19 43.15 2kzn s LEU 121 CO 0.74 -0.07 0.02 -0.60 0.23 0.00 0.00 176.35 176.67 2kzn s ARG 122 N -3.35 0.47 0.05 1.70 3.52 0.53 -4.78 118.95 117.09 2kzn s ARG 122 Ca 0.40 0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.71 2kzn s ARG 122 Cb -0.11 -1.23 -0.06 0.00 -1.56 0.00 0.00 34.95 31.99 2kzn s ARG 122 CO 0.29 -0.41 1.33 -0.59 -0.81 0.00 0.00 175.30 175.10 2kzn s PHE 123 N 1.99 3.16 -0.33 5.12 -0.71 -1.26 -1.52 117.98 124.43 2kzn s PHE 123 Ca 0.03 1.02 0.03 0.00 -1.04 0.00 0.00 56.93 56.97 2kzn s PHE 123 Cb -0.14 -3.58 0.09 0.00 -1.21 0.00 0.00 43.02 38.18 2kzn s PHE 123 CO -0.06 -2.02 0.04 0.08 -1.34 0.00 0.00 175.22 171.92 2kzn s VAL 124 N 1.63 2.40 0.80 -2.49 1.01 -0.57 -5.00 120.40 118.18 2kzn s VAL 124 Ca 0.62 -2.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.32 2kzn s VAL 124 Cb -0.32 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.45 2kzn s VAL 124 CO 0.28 -0.49 1.16 -2.16 0.00 0.00 0.00 175.10 173.89 2kzn s PRO 125 N 0.98 1.80 0.32 2.72 0.04 -1.26 -1.95 135.00 137.64 2kzn s PRO 125 Ca 0.07 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.77 2kzn s PRO 125 Cb -0.20 -1.81 0.97 0.00 0.04 0.00 0.00 34.50 33.50 2kzn s PRO 125 CO -0.07 -2.06 1.63 1.57 0.04 0.00 0.00 177.00 178.12 2kzn h LYS 126 N -0.97 0.19 0.00 4.56 2.10 -1.88 0.40 116.57 120.97 2kzn h LYS 126 Ca -0.45 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.14 2kzn h LYS 126 Cb 1.27 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2kzn h LYS 126 CO 0.47 0.13 -0.24 1.25 -2.00 0.00 0.00 179.45 179.06 2kzn h HIS 127 N 0.20 0.00 0.00 0.07 2.76 -1.91 -2.85 115.15 113.42 2kzn h HIS 127 Ca 0.68 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.85 2kzn h HIS 127 Cb 1.53 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.49 2kzn h HIS 127 CO -0.15 0.24 -1.55 1.17 -1.30 0.00 0.00 177.93 176.34 2kzn n LYS 128 N -3.39 0.59 -0.21 5.26 3.00 -0.02 -4.34 118.16 119.05 2kzn n LYS 128 Ca 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.31 58.17 2kzn n LYS 128 Cb 0.45 -1.63 0.03 0.00 0.00 0.00 0.00 35.03 33.87 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2kzn h LEU 129 N 0.00 0.82 -1.38 3.14 3.38 -0.89 -1.37 115.31 119.02 2kzn h LEU 129 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kzn h LEU 129 Cb 0.97 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kzn h LEU 129 CO 0.00 0.76 0.00 0.07 0.09 0.00 0.00 178.44 179.36 2kzn h LYS 130 N 0.83 0.00 0.16 1.13 5.09 -1.76 0.42 116.57 122.44 2kzn h LYS 130 Ca 0.20 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.65 2kzn h LYS 130 Cb 0.19 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.53 2kzn h LYS 130 CO -0.02 0.00 -1.42 0.93 -2.09 0.00 0.00 179.45 176.85 2kzn h GLU 131 N 0.00 0.33 -0.26 0.07 4.39 -1.54 -3.41 114.58 114.16 2kzn h GLU 131 Ca 0.00 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.13 2kzn h GLU 131 Cb 0.17 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2kzn h GLU 131 CO 0.00 1.27 0.00 0.39 -1.16 0.00 0.00 179.01 179.51 2kzn n GLU 132 N -3.84 2.39 0.00 2.33 -0.58 -0.37 -4.90 120.64 115.67 2kzn n GLU 132 Ca -0.22 -2.08 0.00 0.00 -0.42 0.00 0.00 57.16 54.44 2kzn n GLU 132 Cb 0.96 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kzn n GLY 133 N 1.43 0.67 0.65 0.62 0.00 0.01 -5.00 105.19 103.57 2kzn n GLY 133 Ca 0.18 -0.50 0.48 0.00 0.00 0.00 0.00 46.02 46.18 2kzn n GLY 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kzn n TYR 134 N 0.00 0.00 0.10 1.61 4.11 0.13 -1.17 117.16 121.94 2kzn n TYR 134 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.96 2kzn n TYR 134 Cb 0.00 -0.45 0.30 0.00 -0.00 0.00 0.00 39.34 39.19 2kzn n TYR 134 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2kzn n GLU 135 N -3.73 0.07 0.02 -3.48 1.02 -1.26 -0.09 120.64 113.19 2kzn n GLU 135 Ca 0.40 0.53 -0.10 0.00 -0.02 0.00 0.00 57.16 57.97 2kzn n GLU 135 Cb 1.83 -1.86 -0.13 0.00 -0.02 0.00 0.00 31.44 31.26 2kzn n GLU 135 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2kzn h SER 136 N 0.00 0.10 0.00 1.62 0.02 -1.53 -3.06 113.55 110.69 2kzn h SER 136 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2kzn h SER 136 Cb 0.24 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2kzn h SER 136 CO 0.00 1.13 -0.50 0.00 -1.14 0.00 0.00 176.83 176.32 2kzn n TYR 137 N -3.24 0.00 0.25 3.45 9.36 -0.79 -4.30 117.16 121.89 2kzn n TYR 137 Ca -0.13 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.19 2kzn n TYR 137 Cb 1.02 -0.25 0.65 0.00 -0.63 0.00 0.00 39.34 40.13 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 -0.50 0.00 0.00 2.98 4.07 -0.76 0.08 115.31 121.18 2kzn h LEU 138 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kzn h LEU 138 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2kzn h LEU 138 CO 0.00 0.14 -0.46 -0.74 -1.08 0.00 0.00 178.44 176.30 2kzn h HIS 139 N 0.00 0.00 0.04 1.13 -0.00 -1.67 -3.31 115.15 111.35 2kzn h HIS 139 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kzn h HIS 139 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2kzn h HIS 139 CO 0.00 0.00 -0.06 -0.07 -0.00 0.00 0.00 177.93 177.80 2kzn h LEU 140 N -0.95 -0.15 0.20 0.26 3.38 -1.40 -3.01 115.31 113.65 2kzn h LEU 140 Ca 0.00 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 2kzn h LEU 140 Cb 0.46 0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.28 2kzn h LEU 140 CO 0.00 -0.09 -1.60 0.15 0.09 0.00 0.00 178.44 176.99 2kzn h PHE 141 N -0.12 0.77 -5.88 1.13 3.57 -1.25 -3.50 116.94 111.66 2kzn h PHE 141 Ca 0.01 -0.56 -0.06 0.00 3.53 0.00 0.00 57.97 60.89 2kzn h PHE 141 Cb 0.12 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2kzn h PHE 141 CO -0.11 1.62 -0.98 -1.71 -2.23 0.00 0.00 178.31 174.91 2kzn n ASN 142 N -3.69 -7.05 0.09 0.41 2.85 -0.55 -4.91 115.26 102.41 2kzn n ASN 142 Ca -0.22 0.68 0.02 0.00 -0.11 0.00 0.00 54.58 54.94 2kzn n ASN 142 Cb 1.06 -3.23 0.37 0.00 1.24 0.00 0.00 39.78 39.21 2kzn n ASN 142 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2kzn h LYS 143 N 3.04 0.31 -6.10 1.20 3.64 -1.81 -3.45 116.57 113.41 2kzn h LYS 143 Ca -0.08 -0.07 -0.78 0.00 -1.27 0.00 0.00 60.65 58.44 2kzn h LYS 143 Cb 0.73 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2kzn h LYS 143 CO 0.09 0.42 0.66 -0.11 -2.27 0.00 0.00 179.45 178.23 2kzn n LEU 144 N -4.28 1.58 -4.67 5.20 7.94 -1.26 -4.84 117.00 116.66 2kzn n LEU 144 Ca -0.00 1.13 -0.44 0.00 -1.11 0.00 0.00 56.01 55.59 2kzn n LEU 144 Cb 0.26 -1.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 2kzn n LEU 144 CO 0.38 -0.84 1.52 -0.62 -1.11 0.00 0.00 177.39 176.72 2kzn n GLU 145 N 4.02 2.69 -2.30 1.96 1.02 -1.26 -4.88 120.64 121.89 2kzn n GLU 145 Ca 0.26 0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 57.96 2kzn n GLU 145 Cb 0.07 -2.89 -0.03 0.00 -0.02 0.00 0.00 31.44 28.57 2kzn n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kzn s HIS 146 N 3.63 2.19 -2.77 -0.32 3.76 -1.26 -5.27 115.29 115.25 2kzn s HIS 146 Ca 0.87 0.58 0.26 0.00 -0.15 0.00 0.00 55.06 56.62 2kzn s HIS 146 Cb -0.51 -4.31 0.58 0.00 1.11 0.00 0.00 32.58 29.45 2kzn s HIS 146 CO 0.42 -2.13 1.48 1.58 -0.85 0.00 0.00 174.74 175.24