#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzg s LEU 19 N 0.00 -1.02 -0.10 -3.43 1.98 -1.26 -5.14 118.68 109.71 3kzg s LEU 19 Ca 0.00 -1.11 0.03 0.00 -2.89 0.00 0.00 54.13 50.17 3kzg s LEU 19 Cb 0.00 1.33 0.00 0.00 0.66 0.00 0.00 46.19 48.18 3kzg s LEU 19 CO 0.00 -0.05 -0.22 0.20 -1.89 0.00 0.00 176.35 174.39 3kzg s ASN 20 N 1.07 2.91 -0.06 3.68 -0.87 -1.26 -1.46 114.94 118.95 3kzg s ASN 20 Ca 0.26 -0.53 0.04 0.00 -1.57 0.00 0.00 52.86 51.06 3kzg s ASN 20 Cb 0.04 -1.33 -0.02 0.00 -0.02 0.00 0.00 41.25 39.91 3kzg s ASN 20 CO -0.08 0.12 -0.18 -0.76 -2.57 0.00 0.00 177.10 173.64 3kzg s LEU 21 N 0.49 2.52 -0.29 0.60 1.43 0.13 -4.93 118.68 118.63 3kzg s LEU 21 Ca -0.16 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3kzg s LEU 21 Cb -0.17 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.57 3kzg s LEU 21 CO 0.06 0.30 0.05 -0.89 0.23 0.00 0.00 176.35 176.10 3kzg s THR 22 N -0.49 3.67 -0.16 5.49 2.01 -1.26 -1.47 115.64 123.44 3kzg s THR 22 Ca 0.06 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 3kzg s THR 22 Cb -0.12 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3kzg s THR 22 CO 0.01 0.09 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.40 3kzg s ILE 23 N 1.45 4.16 -0.10 1.82 1.09 0.57 -0.47 121.20 129.72 3kzg s ILE 23 Ca 0.02 -0.27 -0.15 0.00 -1.10 0.00 0.00 60.65 59.15 3kzg s ILE 23 Cb -0.17 -2.83 -0.05 0.00 -1.06 0.00 0.00 42.46 38.35 3kzg s ILE 23 CO 0.01 0.50 0.36 -0.83 -0.10 0.00 0.00 174.94 174.87 3kzg s GLY 24 N 0.24 2.32 0.24 6.18 0.00 0.24 -0.33 107.32 116.22 3kzg s GLY 24 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.38 3kzg s GLY 24 CO 0.02 0.37 0.14 -1.08 0.00 0.00 0.00 173.10 172.56 3kzg s THR 25 N -0.04 0.17 0.60 0.90 -1.32 -0.54 -1.68 115.64 113.74 3kzg s THR 25 Ca 0.21 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.62 3kzg s THR 25 Cb -0.14 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 3kzg s THR 25 CO 0.08 0.00 0.93 -0.94 -2.21 0.00 0.00 174.62 172.48 3kzg s SER 26 N -3.25 5.68 0.13 8.08 1.04 -1.26 -0.38 113.70 123.75 3kzg s SER 26 Ca 0.38 0.84 0.10 0.00 0.48 0.00 0.00 55.95 57.75 3kzg s SER 26 Cb 0.06 -1.84 -0.15 0.00 0.10 0.00 0.00 66.02 64.19 3kzg s SER 26 CO 0.15 -1.04 1.23 0.11 0.98 0.00 0.00 173.24 174.67 3kzg h LYS 27 N -0.21 0.00 -1.12 4.02 1.57 -1.59 -3.42 116.57 115.81 3kzg h LYS 27 Ca -0.45 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3kzg h LYS 27 Cb 1.25 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.33 3kzg h LYS 27 CO 0.61 0.82 -0.35 0.12 -0.57 0.00 0.00 179.45 180.08 3kzg s PHE 28 N -2.76 -1.60 -0.44 -1.35 5.36 -1.26 -0.46 117.98 115.47 3kzg s PHE 28 Ca 0.01 1.31 0.05 0.00 -0.96 0.00 0.00 56.93 57.34 3kzg s PHE 28 Cb 0.09 0.38 0.28 0.00 -0.34 0.00 0.00 43.02 43.43 3kzg s PHE 28 CO 0.80 -0.95 1.07 -1.71 -1.46 0.00 0.00 175.22 172.97 3kzg n ASN 29 N 5.42 -2.32 -4.74 6.13 5.15 -0.05 -4.53 115.26 120.32 3kzg n ASN 29 Ca 0.01 -3.07 -0.38 0.00 -0.60 0.00 0.00 54.58 50.55 3kzg n ASN 29 Cb 0.52 1.64 0.05 0.00 -0.53 0.00 0.00 39.78 41.46 3kzg n ASN 29 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kzg s PRO 30 N 0.41 2.89 -0.03 1.20 0.04 -1.21 -1.43 135.00 136.87 3kzg s PRO 30 Ca 0.27 2.19 0.07 0.00 0.04 0.00 0.00 61.00 63.57 3kzg s PRO 30 Cb 0.25 -2.09 0.25 0.00 0.04 0.00 0.00 34.50 32.95 3kzg s PRO 30 CO -0.16 -1.38 1.10 -0.35 0.04 0.00 0.00 177.00 176.26 3kzg n PRO 31 N -1.39 1.87 -0.03 0.56 -0.04 -1.26 -4.40 135.00 130.32 3kzg n PRO 31 Ca 0.13 -0.99 -0.13 0.00 -0.04 0.00 0.00 63.50 62.46 3kzg n PRO 31 Cb 0.46 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 3kzg n PRO 31 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3kzg h PHE 32 N 1.48 -0.02 -1.81 0.54 0.04 -1.59 0.16 116.94 115.74 3kzg h PHE 32 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kzg h PHE 32 Cb 0.59 0.01 -0.21 0.00 2.20 0.00 0.00 35.95 38.53 3kzg h PHE 32 CO 0.25 0.67 0.33 -1.83 -0.60 0.00 0.00 178.31 177.13 3kzg s GLU 33 N -3.25 0.82 -0.04 1.51 1.03 -1.17 -1.12 118.70 116.49 3kzg s GLU 33 Ca -0.17 0.37 -0.01 0.00 0.03 0.00 0.00 54.97 55.19 3kzg s GLU 33 Cb -0.01 0.39 0.03 0.00 -0.80 0.00 0.00 34.13 33.75 3kzg s GLU 33 CO 0.65 -0.22 0.07 0.08 -1.33 0.00 0.00 175.26 174.51 3kzg s VAL 34 N -0.78 -0.07 -0.44 1.83 1.01 -0.20 -0.87 120.40 120.89 3kzg s VAL 34 Ca -0.05 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3kzg s VAL 34 Cb -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 36.38 36.34 3kzg s VAL 34 CO 0.04 0.10 0.28 0.86 0.00 0.00 0.00 175.10 176.38 3kzg s TRP 35 N 1.28 3.45 -2.18 5.22 -0.00 0.40 -2.45 118.94 124.66 3kzg s TRP 35 Ca -0.07 -1.96 0.24 0.00 -0.00 0.00 0.00 56.10 54.31 3kzg s TRP 35 Cb -0.13 -3.27 1.18 0.00 -0.00 0.00 0.00 33.47 31.26 3kzg s TRP 35 CO -0.04 -0.95 1.79 0.43 -0.00 0.00 0.00 176.95 178.18 3kzg n SER 36 N 4.81 0.75 0.00 5.86 7.64 -1.17 -4.89 113.62 126.63 3kzg n SER 36 Ca -0.07 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.39 3kzg n SER 36 Cb 0.41 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3kzg n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kzg n GLY 37 N 1.01 2.21 0.00 0.23 0.00 -1.26 -4.55 105.19 102.83 3kzg n GLY 37 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3kzg n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kzg n ASN 38 N 0.30 0.00 0.16 1.61 0.23 -1.26 -4.75 115.26 111.55 3kzg n ASN 38 Ca 0.00 -0.04 0.13 0.00 -0.53 0.00 0.00 54.58 54.14 3kzg n ASN 38 Cb 0.00 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.24 3kzg n ASN 38 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3kzg h ASN 39 N 0.00 0.00 0.00 0.53 -0.00 -2.01 -3.30 115.58 110.80 3kzg h ASN 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3kzg h ASN 39 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 3kzg h ASN 39 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.43 175.89 3kzg n SER 40 N -2.44 0.00 0.00 6.14 3.41 -1.26 -5.12 113.62 114.35 3kzg n SER 40 Ca 0.02 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3kzg n SER 40 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3kzg n SER 40 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kzg n SER 41 N 0.00 0.00 -4.45 4.04 2.88 -1.25 -4.63 113.62 110.21 3kzg n SER 41 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3kzg n SER 41 Cb 0.30 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.63 3kzg n SER 41 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kzg s LEU 42 N 0.00 2.76 0.02 2.46 1.43 -1.26 -3.02 118.68 121.07 3kzg s LEU 42 Ca 0.00 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3kzg s LEU 42 Cb 0.00 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3kzg s LEU 42 CO 0.00 0.28 0.01 -0.72 0.23 0.00 0.00 176.35 176.15 3kzg s TYR 43 N -0.36 0.23 0.00 0.29 -0.85 -1.03 -4.96 117.35 110.68 3kzg s TYR 43 Ca 0.04 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 3kzg s TYR 43 Cb -0.12 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.04 3kzg s TYR 43 CO 0.02 -0.23 0.00 0.41 -1.52 0.00 0.00 175.55 174.23 3kzg n GLY 44 N 1.40 2.83 0.16 5.49 0.00 -1.26 -1.03 105.19 112.78 3kzg n GLY 44 Ca -0.23 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 3kzg n GLY 44 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kzg h PHE 45 N 0.00 -0.25 -0.77 1.61 3.57 -0.55 -1.64 116.94 118.91 3kzg h PHE 45 Ca 0.00 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3kzg h PHE 45 Cb 0.00 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3kzg h PHE 45 CO 0.00 -0.17 0.50 -0.44 -2.23 0.00 0.00 178.31 175.98 3kzg h ASP 46 N -0.08 0.67 0.15 0.41 3.32 -1.35 -0.59 116.42 118.94 3kzg h ASP 46 Ca 0.12 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3kzg h ASP 46 Cb 0.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kzg h ASP 46 CO -0.28 0.41 -0.07 0.40 -1.72 0.00 0.00 179.24 177.99 3kzg h ILE 47 N 0.75 0.99 -0.57 0.35 1.08 -1.43 -3.23 117.51 115.44 3kzg h ILE 47 Ca 0.34 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3kzg h ILE 47 Cb 0.36 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 3kzg h ILE 47 CO -0.12 0.16 0.36 0.44 -0.69 0.00 0.00 178.15 178.30 3kzg h ASP 48 N -0.53 0.67 0.00 1.72 3.32 -1.01 -1.50 116.42 119.09 3kzg h ASP 48 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3kzg h ASP 48 Cb 0.41 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3kzg h ASP 48 CO 0.03 0.51 0.00 -0.11 -1.72 0.00 0.00 179.24 177.95 3kzg n LEU 49 N -4.66 0.08 0.00 1.55 7.94 -0.26 -1.51 117.00 120.14 3kzg n LEU 49 Ca 0.04 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kzg n LEU 49 Cb 0.04 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3kzg n LEU 49 CO 0.36 0.02 0.00 0.00 -1.11 0.00 0.00 177.39 176.65 3kzg n GLN 51 N 0.55 0.00 -0.13 1.96 1.13 -0.57 -1.27 117.38 119.05 3kzg n GLN 51 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3kzg n GLN 51 Cb 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.35 3kzg n GLN 51 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3kzg h GLU 52 N 0.00 0.68 -0.21 -1.09 4.57 -1.53 -0.10 114.58 116.91 3kzg h GLU 52 Ca 0.00 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 3kzg h GLU 52 Cb 0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3kzg h GLU 52 CO 0.00 0.79 0.07 0.82 -1.18 0.00 0.00 179.01 179.51 3kzg h ILE 53 N 0.49 0.94 -0.59 2.32 2.04 -1.44 -1.44 117.51 119.83 3kzg h ILE 53 Ca 0.10 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3kzg h ILE 53 Cb 0.50 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3kzg h ILE 53 CO 0.02 0.03 0.16 0.00 0.00 0.00 0.00 178.15 178.36 3kzg h ARG 55 N 0.87 0.90 0.00 0.00 2.43 -0.49 0.07 114.38 118.16 3kzg h ARG 55 Ca 0.19 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3kzg h ARG 55 Cb 0.29 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3kzg h ARG 55 CO -0.00 0.60 -0.43 0.00 -1.51 0.00 0.00 179.97 178.63 3kzg h ARG 56 N 0.93 0.00 0.00 0.20 3.08 -0.68 -2.41 114.38 115.50 3kzg h ARG 56 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3kzg h ARG 56 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kzg h ARG 56 CO -0.11 0.43 0.00 1.28 -1.07 0.00 0.00 179.97 180.49 3kzg n LEU 57 N -3.40 0.34 -2.96 3.04 4.77 -0.03 -4.90 117.00 113.85 3kzg n LEU 57 Ca 0.01 0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 3kzg n LEU 57 Cb 0.60 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3kzg n LEU 57 CO 0.38 -0.09 0.13 1.41 -1.33 0.00 0.00 177.39 177.90 3kzg n HIS 58 N -1.82 -1.99 -4.23 -1.77 8.25 -0.14 -5.02 115.22 108.49 3kzg n HIS 58 Ca 0.06 0.78 -0.21 0.00 -0.26 0.00 0.00 57.72 58.10 3kzg n HIS 58 Cb 0.37 -4.38 -0.12 0.00 1.12 0.00 0.00 29.99 26.98 3kzg n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kzg s ALA 59 N -3.28 1.51 0.25 -1.41 0.00 -0.34 -4.84 121.76 113.65 3kzg s ALA 59 Ca 0.20 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 3kzg s ALA 59 Cb -0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 3kzg s ALA 59 CO 0.59 0.24 0.94 0.95 0.00 0.00 0.00 175.76 178.47 3kzg s THR 60 N -1.36 4.10 -0.17 0.00 -4.23 -0.53 -4.36 115.64 109.08 3kzg s THR 60 Ca 0.03 2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 62.57 3kzg s THR 60 Cb -0.09 -4.27 -0.00 0.00 1.34 0.00 0.00 72.50 69.48 3kzg s THR 60 CO 0.03 0.43 -0.12 0.00 -0.54 0.00 0.00 174.62 174.43 3kzg s THR 62 N 0.98 0.96 0.08 0.00 -4.23 -0.54 -5.01 115.64 107.88 3kzg s THR 62 Ca -0.02 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 3kzg s THR 62 Cb -0.15 -0.97 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 3kzg s THR 62 CO -0.01 0.35 0.43 -0.36 -0.54 0.00 0.00 174.62 174.49 3kzg s PHE 63 N 1.56 3.61 -0.14 3.99 0.08 -1.26 -0.31 117.98 125.51 3kzg s PHE 63 Ca 0.02 0.88 0.00 0.00 0.12 0.00 0.00 56.93 57.95 3kzg s PHE 63 Cb -0.13 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 3kzg s PHE 63 CO -0.06 0.52 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.26 3kzg s GLU 64 N -1.77 2.00 -0.06 0.44 0.41 0.56 -4.91 118.70 115.37 3kzg s GLU 64 Ca 0.32 -0.46 -0.21 0.00 -0.41 0.00 0.00 54.97 54.21 3kzg s GLU 64 Cb -0.15 -1.93 -0.04 0.00 -1.78 0.00 0.00 34.13 30.23 3kzg s GLU 64 CO 0.17 -0.26 0.62 0.00 -0.49 0.00 0.00 175.26 175.31 3kzg s ALA 65 N 1.57 3.41 0.09 5.21 0.00 -1.26 -1.46 121.76 129.32 3kzg s ALA 65 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3kzg s ALA 65 Cb -0.13 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 3kzg s ALA 65 CO -0.10 0.01 -0.12 0.71 0.00 0.00 0.00 175.76 176.26 3kzg s TYR 66 N 0.44 1.15 0.16 0.00 2.02 0.49 -4.87 117.35 116.73 3kzg s TYR 66 Ca 0.33 -0.55 -0.31 0.00 -0.37 0.00 0.00 57.07 56.16 3kzg s TYR 66 Cb -0.17 -0.63 -0.09 0.00 -0.40 0.00 0.00 41.96 40.67 3kzg s TYR 66 CO 0.16 0.04 1.45 0.42 -1.57 0.00 0.00 175.55 176.06 3kzg s ILE 67 N -1.89 2.95 0.11 2.71 1.01 -1.26 -1.46 121.20 123.37 3kzg s ILE 67 Ca 0.02 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 3kzg s ILE 67 Cb -0.06 -3.45 0.08 0.00 0.01 0.00 0.00 42.46 39.03 3kzg s ILE 67 CO 0.01 0.07 0.84 0.33 0.00 0.00 0.00 174.94 176.19 3kzg n PHE 68 N 3.55 -0.07 -0.32 3.97 7.35 -1.26 -0.26 117.46 130.43 3kzg n PHE 68 Ca 0.11 0.67 0.16 0.00 -0.76 0.00 0.00 57.45 57.63 3kzg n PHE 68 Cb 0.41 -0.65 0.35 0.00 0.35 0.00 0.00 39.48 39.94 3kzg n PHE 68 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 3kzg h ASP 69 N 0.00 0.41 0.47 -2.13 3.58 -1.84 -1.35 116.42 115.57 3kzg h ASP 69 Ca 0.16 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3kzg h ASP 69 Cb 0.29 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.46 3kzg h ASP 69 CO -0.53 -0.01 0.00 0.47 -2.88 0.00 0.00 179.24 176.29 3kzg n ASP 70 N -5.02 0.00 -0.15 2.28 8.00 0.65 -3.78 116.55 118.51 3kzg n ASP 70 Ca 0.25 -0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.60 3kzg n ASP 70 Cb 0.73 -0.29 0.07 0.00 -0.02 0.00 0.00 41.12 41.62 3kzg n ASP 70 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kzg h LEU 71 N 0.00 0.92 0.32 0.64 3.38 -1.31 -2.46 115.31 116.80 3kzg h LEU 71 Ca 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3kzg h LEU 71 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kzg h LEU 71 CO 0.00 1.02 -0.15 -0.26 0.09 0.00 0.00 178.44 179.13 3kzg h PHE 72 N 0.85 -0.40 0.00 1.13 0.04 -1.76 -1.27 116.94 115.52 3kzg h PHE 72 Ca 0.14 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 3kzg h PHE 72 Cb 0.59 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 3kzg h PHE 72 CO 0.04 -0.12 -0.30 -1.00 -0.60 0.00 0.00 178.31 176.32 3kzg h PRO 73 N -0.64 0.00 -0.52 1.51 0.13 -1.79 -1.70 132.00 128.99 3kzg h PRO 73 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3kzg h PRO 73 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 3kzg h PRO 73 CO 0.07 0.30 0.20 0.00 -0.23 0.00 0.00 178.00 178.35 3kzg h ALA 74 N 1.70 0.68 -0.28 -0.56 0.00 -1.26 0.18 119.26 119.72 3kzg h ALA 74 Ca -0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3kzg h ALA 74 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kzg h ALA 74 CO 0.04 0.30 -0.56 1.25 0.00 0.00 0.00 179.25 180.27 3kzg h LEU 75 N 0.71 0.98 -1.66 0.00 5.85 -1.02 0.11 115.31 120.28 3kzg h LEU 75 Ca 0.17 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 3kzg h LEU 75 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3kzg h LEU 75 CO -0.01 1.34 -0.20 0.50 -0.34 0.00 0.00 178.44 179.73 3kzg h LYS 76 N 0.67 0.00 -0.26 1.25 1.63 -1.12 -0.33 116.57 118.41 3kzg h LYS 76 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3kzg h LYS 76 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3kzg h LYS 76 CO 0.13 0.20 0.00 0.09 -3.45 0.00 0.00 179.45 176.41 3kzg n ASN 77 N -3.90 2.07 -3.07 4.20 3.02 0.04 -4.92 115.26 112.70 3kzg n ASN 77 Ca -0.02 -1.83 -0.23 0.00 -0.03 0.00 0.00 54.58 52.48 3kzg n ASN 77 Cb 0.29 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3kzg n ASN 77 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kzg n ARG 78 N 0.60 -4.85 0.17 3.52 3.00 -0.14 -4.87 116.66 114.10 3kzg n ARG 78 Ca 0.16 0.87 0.06 0.00 -0.01 0.00 0.00 57.85 58.93 3kzg n ARG 78 Cb 0.38 -5.73 0.17 0.00 0.00 0.00 0.00 32.46 27.28 3kzg n ARG 78 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3kzg h GLU 79 N -1.39 0.00 -4.75 5.56 4.81 -1.00 -3.45 114.58 114.37 3kzg h GLU 79 Ca -0.52 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.45 3kzg h GLU 79 Cb 1.36 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.59 3kzg h GLU 79 CO 0.57 0.36 -0.69 0.14 -0.73 0.00 0.00 179.01 178.65 3kzg s VAL 80 N -3.21 0.77 -0.03 0.32 -7.23 -1.25 -5.02 120.40 104.75 3kzg s VAL 80 Ca 0.03 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3kzg s VAL 80 Cb 0.08 -1.79 -0.24 0.00 0.56 0.00 0.00 36.38 35.00 3kzg s VAL 80 CO 0.70 -0.78 0.72 0.44 -0.31 0.00 0.00 175.10 175.86 3kzg h ASP 81 N 2.89 0.13 -5.30 4.85 3.32 -1.08 -3.45 116.42 117.78 3kzg h ASP 81 Ca -0.36 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.35 3kzg h ASP 81 Cb 1.18 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.57 3kzg h ASP 81 CO 0.64 1.21 -0.28 -0.76 -1.72 0.00 0.00 179.24 178.32 3kzg s LEU 82 N -6.44 0.73 -0.01 1.55 1.43 -1.20 -4.71 118.68 110.02 3kzg s LEU 82 Ca -0.07 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 3kzg s LEU 82 Cb 0.08 1.31 0.01 0.00 0.03 0.00 0.00 46.19 47.61 3kzg s LEU 82 CO 0.82 -0.98 -0.01 -0.69 0.23 0.00 0.00 176.35 175.72 3kzg s VAL 83 N -4.01 0.19 -0.07 -1.59 1.01 -1.26 -0.59 120.40 114.07 3kzg s VAL 83 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 3kzg s VAL 83 Cb 0.02 -0.21 0.04 0.00 0.00 0.00 0.00 36.38 36.23 3kzg s VAL 83 CO 0.05 0.09 0.07 -0.51 0.00 0.00 0.00 175.10 174.80 3kzg s ILE 84 N 0.38 -0.11 -0.41 2.22 2.07 -0.68 -4.47 121.20 120.21 3kzg s ILE 84 Ca -0.04 0.30 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 3kzg s ILE 84 Cb -0.06 -0.24 0.24 0.00 0.13 0.00 0.00 42.46 42.52 3kzg s ILE 84 CO -0.01 0.08 1.03 0.00 -1.91 0.00 0.00 174.94 174.13 3kzg n ALA 85 N 5.30 -2.73 -1.18 1.50 0.00 -1.26 -4.26 120.51 117.87 3kzg n ALA 85 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3kzg n ALA 85 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3kzg n ALA 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kzg n SER 86 N 2.01 0.00 -3.67 0.00 3.41 -1.26 -4.94 113.62 109.18 3kzg n SER 86 Ca 0.08 0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3kzg n SER 86 Cb 0.65 -1.18 -0.09 0.00 -0.26 0.00 0.00 64.21 63.33 3kzg n SER 86 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kzg s ILE 88 N -0.77 -0.01 -0.12 -1.33 1.01 -1.26 -4.93 121.20 113.79 3kzg s ILE 88 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3kzg s ILE 88 Cb 0.00 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 3kzg s ILE 88 CO 0.00 0.01 1.33 -0.63 0.00 0.00 0.00 174.94 175.65 3kzg s ILE 89 N 1.23 4.12 0.10 2.92 1.01 -0.54 -4.91 121.20 125.12 3kzg s ILE 89 Ca -0.07 1.38 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3kzg s ILE 89 Cb -0.06 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3kzg s ILE 89 CO -0.12 -0.09 -0.05 0.42 0.00 0.00 0.00 174.94 175.09 3kzg s THR 90 N 3.28 0.61 0.30 2.92 -4.23 -1.26 -0.66 115.64 116.60 3kzg s THR 90 Ca 0.59 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3kzg s THR 90 Cb -0.25 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 71.99 3kzg s THR 90 CO 0.19 -0.83 1.80 0.44 -0.54 0.00 0.00 174.62 175.68 3kzg h ASP 91 N 2.96 0.57 0.28 3.99 3.32 -1.99 -1.68 116.42 123.88 3kzg h ASP 91 Ca -0.35 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3kzg h ASP 91 Cb 1.17 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3kzg h ASP 91 CO 0.64 0.68 -0.14 -0.08 -1.72 0.00 0.00 179.24 178.63 3kzg h GLU 92 N 0.55 -0.37 -0.05 3.56 4.57 -1.99 -2.89 114.58 117.97 3kzg h GLU 92 Ca 0.11 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3kzg h GLU 92 Cb 0.45 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3kzg h GLU 92 CO 0.02 -0.25 -0.38 0.00 -1.18 0.00 0.00 179.01 177.23 3kzg h ARG 93 N -0.38 0.11 0.00 1.92 2.47 -1.90 -2.48 114.38 114.11 3kzg h ARG 93 Ca -0.04 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3kzg h ARG 93 Cb 0.29 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3kzg h ARG 93 CO 0.06 0.47 0.00 0.87 0.56 0.00 0.00 179.97 181.94 3kzg h LYS 94 N 0.09 0.00 0.00 0.04 1.57 -1.10 -0.58 116.57 116.60 3kzg h LYS 94 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kzg h LYS 94 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3kzg h LYS 94 CO 0.05 0.00 -0.26 0.87 -0.57 0.00 0.00 179.45 179.54 3kzg h LYS 95 N 0.00 0.00 0.00 3.15 1.57 -1.31 -3.32 116.57 116.66 3kzg h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kzg h LYS 95 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kzg h LYS 95 CO 0.00 0.26 0.00 0.72 -0.57 0.00 0.00 179.45 179.86 3kzg n HIS 96 N -3.96 0.00 -4.11 -1.35 8.25 -0.76 -5.09 115.22 108.20 3kzg n HIS 96 Ca -0.02 -0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3kzg n HIS 96 Cb 0.33 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.35 3kzg n HIS 96 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kzg s PHE 97 N -0.03 0.79 0.25 4.41 0.08 -0.30 -4.46 117.98 118.72 3kzg s PHE 97 Ca 0.00 -1.13 0.11 0.00 0.12 0.00 0.00 56.93 56.03 3kzg s PHE 97 Cb 0.00 -0.37 -0.05 0.00 -0.57 0.00 0.00 43.02 42.04 3kzg s PHE 97 CO 0.00 -0.61 -0.20 0.96 -0.10 0.00 0.00 175.22 175.26 3kzg s ILE 98 N -4.05 2.37 0.07 0.64 -4.36 -0.24 -4.29 121.20 111.35 3kzg s ILE 98 Ca 0.25 -2.29 0.06 0.00 -0.26 0.00 0.00 60.65 58.42 3kzg s ILE 98 Cb 0.06 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 3kzg s ILE 98 CO 0.04 -0.35 -0.17 -0.36 0.24 0.00 0.00 174.94 174.34 3kzg s PHE 99 N -2.33 1.49 0.96 1.37 0.08 -1.26 -1.87 117.98 116.42 3kzg s PHE 99 Ca 0.27 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.75 3kzg s PHE 99 Cb -0.05 -0.85 0.21 0.00 -0.57 0.00 0.00 43.02 41.76 3kzg s PHE 99 CO 0.13 0.11 1.31 -1.54 -0.10 0.00 0.00 175.22 175.13 3kzg s SER 100 N -1.62 3.09 0.49 1.36 1.04 -0.47 -4.97 113.70 112.62 3kzg s SER 100 Ca 0.03 0.17 -0.24 0.00 0.48 0.00 0.00 55.95 56.39 3kzg s SER 100 Cb -0.09 -0.19 -0.07 0.00 0.10 0.00 0.00 66.02 65.76 3kzg s SER 100 CO 0.03 -2.74 1.41 0.18 0.98 0.00 0.00 173.24 173.10 3kzg n LEU 101 N -3.73 5.35 -4.76 2.42 4.77 -1.26 -4.63 117.00 115.15 3kzg n LEU 101 Ca 0.16 1.06 -0.39 0.00 -0.03 0.00 0.00 56.01 56.81 3kzg n LEU 101 Cb 0.59 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3kzg n LEU 101 CO 0.45 -0.30 0.95 -2.16 -1.33 0.00 0.00 177.39 175.00 3kzg s PRO 102 N -2.63 3.77 -0.17 3.23 0.04 -1.26 -4.59 135.00 133.38 3kzg s PRO 102 Ca 0.65 2.13 0.16 0.00 0.04 0.00 0.00 61.00 63.98 3kzg s PRO 102 Cb -0.43 -2.61 0.69 0.00 0.04 0.00 0.00 34.50 32.18 3kzg s PRO 102 CO 0.54 -0.65 1.60 2.48 0.04 0.00 0.00 177.00 181.01 3kzg n TYR 103 N -0.19 1.51 -3.46 0.56 0.18 0.28 -4.96 117.16 111.08 3kzg n TYR 103 Ca 0.05 -0.71 -0.38 0.00 1.88 0.00 0.00 57.90 58.74 3kzg n TYR 103 Cb 0.44 -0.35 -0.06 0.00 -0.38 0.00 0.00 39.34 39.00 3kzg n TYR 103 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 3kzg s GLU 105 N -2.37 4.06 -0.22 -3.48 2.12 -1.26 -5.00 118.70 112.55 3kzg s GLU 105 Ca 0.48 0.39 -0.10 0.00 0.36 0.00 0.00 54.97 56.11 3kzg s GLU 105 Cb 0.35 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.40 3kzg s GLU 105 CO 0.17 0.52 0.13 -1.54 -0.54 0.00 0.00 175.26 174.00 3kzg s SER 106 N -0.52 6.05 -0.02 -1.70 1.04 -1.26 -4.69 113.70 112.61 3kzg s SER 106 Ca 0.24 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 3kzg s SER 106 Cb -0.16 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3kzg s SER 106 CO 0.12 0.13 0.06 0.20 0.98 0.00 0.00 173.24 174.72 3kzg s ASN 107 N 0.68 -0.05 0.35 7.02 -0.87 -1.26 -2.80 114.94 118.00 3kzg s ASN 107 Ca 0.07 0.09 0.07 0.00 -1.57 0.00 0.00 52.86 51.52 3kzg s ASN 107 Cb -0.12 0.12 -0.01 0.00 -0.02 0.00 0.00 41.25 41.22 3kzg s ASN 107 CO 0.01 -0.03 0.46 -0.94 -2.57 0.00 0.00 177.10 174.03 3kzg s SER 108 N -0.04 5.84 -0.19 -1.22 1.04 0.73 0.12 113.70 119.99 3kzg s SER 108 Ca -0.01 -0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 3kzg s SER 108 Cb -0.01 -1.13 0.06 0.00 0.10 0.00 0.00 66.02 65.05 3kzg s SER 108 CO 0.00 -0.46 0.47 -1.58 0.98 0.00 0.00 173.24 172.65 3kzg s GLN 109 N -4.17 0.47 0.16 4.02 2.00 -1.26 -0.31 119.66 120.57 3kzg s GLN 109 Ca 0.46 0.87 -0.27 0.00 -2.00 0.00 0.00 55.36 54.42 3kzg s GLN 109 Cb -0.09 0.03 -0.08 0.00 0.80 0.00 0.00 33.01 33.67 3kzg s GLN 109 CO 0.31 -0.15 0.82 0.71 -0.50 0.00 0.00 175.29 176.48 3kzg s TYR 110 N 1.37 3.90 0.05 1.67 2.02 -1.26 -4.40 117.35 120.71 3kzg s TYR 110 Ca -0.09 1.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.31 3kzg s TYR 110 Cb -0.07 -2.84 -0.03 0.00 -0.40 0.00 0.00 41.96 38.62 3kzg s TYR 110 CO -0.13 0.46 -0.06 -1.50 -1.57 0.00 0.00 175.55 172.75 3kzg s ILE 111 N -0.95 0.44 0.35 2.71 2.07 -0.08 -1.49 121.20 124.25 3kzg s ILE 111 Ca 0.38 -1.38 -0.07 0.00 -1.41 0.00 0.00 60.65 58.17 3kzg s ILE 111 Cb -0.23 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.42 3kzg s ILE 111 CO 0.27 -0.63 0.58 0.28 -1.91 0.00 0.00 174.94 173.53 3kzg s THR 112 N -2.37 0.00 0.37 4.00 -1.32 -0.50 -1.06 115.64 114.75 3kzg s THR 112 Ca -0.03 -1.40 -0.26 0.00 -1.21 0.00 0.00 61.69 58.79 3kzg s THR 112 Cb -0.03 -2.70 -0.09 0.00 -1.51 0.00 0.00 72.50 68.17 3kzg s THR 112 CO -0.03 0.00 1.11 0.42 -2.21 0.00 0.00 174.62 173.91 3kzg s THR 113 N -2.85 3.42 0.32 5.08 -4.23 -1.26 -0.56 115.64 115.56 3kzg s THR 113 Ca 0.25 1.22 0.07 0.00 -1.18 0.00 0.00 61.69 62.05 3kzg s THR 113 Cb -0.02 -3.69 0.31 0.00 1.34 0.00 0.00 72.50 70.44 3kzg s THR 113 CO 0.17 0.13 1.78 1.62 -0.54 0.00 0.00 174.62 177.78 3kzg h VAL 114 N 2.48 0.69 -2.60 2.29 3.04 0.74 -2.63 116.25 120.27 3kzg h VAL 114 Ca -0.48 -0.25 -0.81 0.00 -1.01 0.00 0.00 66.70 64.15 3kzg h VAL 114 Cb 1.22 -0.09 -0.28 0.00 -2.01 0.00 0.00 31.29 30.14 3kzg h VAL 114 CO 0.64 0.13 0.91 -0.90 -1.01 0.00 0.00 177.57 177.33 3kzg n ASP 115 N -4.74 6.87 -4.40 3.17 3.85 -1.26 -4.91 116.55 115.12 3kzg n ASP 115 Ca 0.23 -3.54 -0.31 0.00 -0.71 0.00 0.00 54.79 50.46 3kzg n ASP 115 Cb 0.60 -1.22 -0.14 0.00 -1.35 0.00 0.00 41.12 39.01 3kzg n ASP 115 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3kzg s SER 116 N -1.59 3.52 0.64 -1.12 0.15 -0.99 -5.01 113.70 109.30 3kzg s SER 116 Ca 0.35 -0.47 0.41 0.00 0.70 0.00 0.00 55.95 56.93 3kzg s SER 116 Cb 0.11 -0.49 2.21 0.00 -1.71 0.00 0.00 66.02 66.15 3kzg s SER 116 CO -0.00 0.27 2.31 0.50 1.20 0.00 0.00 173.24 177.52 3kzg h LYS 117 N 4.77 0.00 -6.22 5.44 3.64 -1.93 -3.40 116.57 118.87 3kzg h LYS 117 Ca -0.47 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.36 3kzg h LYS 117 Cb 1.15 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3kzg h LYS 117 CO 0.46 0.01 1.01 0.42 -2.27 0.00 0.00 179.45 179.08 3kzg s ILE 118 N -4.20 3.89 -0.12 2.00 1.01 -1.26 -4.87 121.20 117.65 3kzg s ILE 118 Ca -0.04 1.07 -0.00 0.00 0.00 0.00 0.00 60.65 61.67 3kzg s ILE 118 Cb 0.13 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.83 3kzg s ILE 118 CO 0.45 -0.11 -0.11 -1.54 0.00 0.00 0.00 174.94 173.63 3kzg n SER 119 N 6.97 2.79 -4.41 3.58 3.41 -1.26 -5.06 113.62 119.63 3kzg n SER 119 Ca 0.16 -0.03 -0.26 0.00 -0.26 0.00 0.00 58.87 58.47 3kzg n SER 119 Cb 0.44 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 3kzg n SER 119 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kzg s THR 120 N -2.24 1.05 0.53 6.66 -4.23 -1.26 -4.89 115.64 111.27 3kzg s THR 120 Ca -0.16 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.59 3kzg s THR 120 Cb 0.04 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.68 3kzg s THR 120 CO 0.27 0.00 2.18 0.15 -0.54 0.00 0.00 174.62 176.68 3kzg h PHE 121 N 1.79 0.00 0.00 3.99 3.57 -1.96 -1.94 116.94 122.38 3kzg h PHE 121 Ca -0.40 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 3kzg h PHE 121 Cb 1.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 3kzg h PHE 121 CO 1.15 0.04 -0.05 0.22 -2.23 0.00 0.00 178.31 177.43 3kzg h ASP 122 N 0.00 0.00 0.47 0.41 -0.00 -1.99 -2.80 116.42 112.51 3kzg h ASP 122 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3kzg h ASP 122 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3kzg h ASP 122 CO 0.00 0.05 -0.00 0.47 -0.00 0.00 0.00 179.24 179.76 3kzg n ASP 123 N -3.20 0.02 -3.57 2.28 8.00 -0.73 -4.54 116.55 114.81 3kzg n ASP 123 Ca -0.00 -0.30 -0.41 0.00 0.71 0.00 0.00 54.79 54.79 3kzg n ASP 123 Cb 0.30 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3kzg n ASP 123 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kzg n LEU 124 N -1.23 7.66 -3.82 0.64 4.77 -1.06 -4.86 117.00 119.11 3kzg n LEU 124 Ca 0.16 -4.38 -0.12 0.00 -0.03 0.00 0.00 56.01 51.64 3kzg n LEU 124 Cb 0.22 -1.57 -0.12 0.00 -2.33 0.00 0.00 43.42 39.63 3kzg n LEU 124 CO 0.22 1.60 -0.17 -1.38 -1.33 0.00 0.00 177.39 176.33 3kzg s HIS 125 N 1.95 -0.16 -1.25 -1.77 -3.43 -1.26 -4.84 115.29 104.53 3kzg s HIS 125 Ca 0.55 0.40 -0.01 0.00 -0.80 0.00 0.00 55.06 55.20 3kzg s HIS 125 Cb 0.15 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.36 3kzg s HIS 125 CO -0.07 -0.12 0.09 0.41 -2.00 0.00 0.00 174.74 173.05 3kzg n GLY 126 N 2.79 -0.24 3.60 -1.38 0.00 -0.15 -4.97 105.19 104.85 3kzg n GLY 126 Ca -0.14 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 3kzg n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzg s LYS 127 N -4.87 1.94 -0.21 1.61 -0.14 -1.24 -4.95 119.74 111.87 3kzg s LYS 127 Ca 0.04 -1.97 -0.11 0.00 -1.36 0.00 0.00 55.97 52.57 3kzg s LYS 127 Cb -0.02 -1.73 -0.05 0.00 -1.68 0.00 0.00 37.83 34.35 3kzg s LYS 127 CO 0.05 0.05 0.17 0.15 -0.76 0.00 0.00 175.35 175.01 3kzg s LYS 128 N -3.68 4.15 -0.18 1.68 1.02 -1.26 -0.30 119.74 121.16 3kzg s LYS 128 Ca 0.34 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 3kzg s LYS 128 Cb 0.05 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 3kzg s LYS 128 CO 0.18 0.18 -0.14 0.42 -0.92 0.00 0.00 175.35 175.07 3kzg s ILE 129 N 0.70 2.67 0.22 2.17 -1.09 0.14 -0.56 121.20 125.45 3kzg s ILE 129 Ca 0.09 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.47 3kzg s ILE 129 Cb -0.12 -2.15 -0.08 0.00 -1.58 0.00 0.00 42.46 38.52 3kzg s ILE 129 CO 0.02 0.50 1.02 -0.83 -1.23 0.00 0.00 174.94 174.41 3kzg s GLY 130 N 1.13 3.03 0.01 6.18 0.00 0.85 -0.95 107.32 117.57 3kzg s GLY 130 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3kzg s GLY 130 CO -0.05 1.41 -0.02 0.14 0.00 0.00 0.00 173.10 174.58 3kzg s VAL 131 N -0.83 0.12 -0.21 1.40 1.01 -0.55 -1.71 120.40 119.63 3kzg s VAL 131 Ca 0.44 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3kzg s VAL 131 Cb -0.28 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3kzg s VAL 131 CO 0.35 -0.25 1.11 -0.60 0.00 0.00 0.00 175.10 175.71 3kzg s ARG 132 N -0.80 4.24 0.20 2.72 3.52 -1.26 -1.46 118.95 126.12 3kzg s ARG 132 Ca -0.08 1.45 -0.32 0.00 -0.13 0.00 0.00 55.73 56.65 3kzg s ARG 132 Cb -0.06 -3.68 -0.12 0.00 -1.56 0.00 0.00 34.95 29.53 3kzg s ARG 132 CO -0.00 -0.66 1.73 1.17 -0.81 0.00 0.00 175.30 176.73 3kzg n LYS 133 N 6.43 2.78 0.00 5.12 4.81 -0.29 -2.60 118.16 134.40 3kzg n LYS 133 Ca 0.13 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.57 3kzg n LYS 133 Cb 0.46 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.65 3kzg n LYS 133 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kzg n GLY 134 N 3.99 3.00 3.95 3.14 0.00 -1.26 -4.15 105.19 113.86 3kzg n GLY 134 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3kzg n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kzg s THR 135 N -2.62 2.22 -1.41 2.61 -4.23 -1.07 -4.98 115.64 106.16 3kzg s THR 135 Ca 0.00 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.27 3kzg s THR 135 Cb 0.00 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 71.29 3kzg s THR 135 CO 0.00 0.00 1.18 -0.81 -0.54 0.00 0.00 174.62 174.45 3kzg n PRO 136 N -3.01 2.26 0.12 3.99 -0.04 -1.26 -4.36 135.00 132.70 3kzg n PRO 136 Ca 0.11 -1.35 -0.02 0.00 -0.04 0.00 0.00 63.50 62.19 3kzg n PRO 136 Cb 0.60 -1.53 0.17 0.00 -0.04 0.00 0.00 33.50 32.70 3kzg n PRO 136 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kzg h TYR 137 N 1.97 0.12 -0.55 0.54 0.05 -1.93 -1.86 116.97 115.31 3kzg h TYR 137 Ca 0.00 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 3kzg h TYR 137 Cb 0.79 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 3kzg h TYR 137 CO 0.36 0.65 -0.03 0.00 -1.05 0.00 0.00 178.16 178.09 3kzg h ALA 138 N 1.34 0.91 -0.17 3.88 0.00 -1.90 -1.50 119.26 121.81 3kzg h ALA 138 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3kzg h ALA 138 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3kzg h ALA 138 CO 0.08 0.64 -0.38 -0.09 0.00 0.00 0.00 179.25 179.51 3kzg h ARG 139 N 0.88 0.36 -0.47 0.00 2.43 -1.84 -2.16 114.38 113.58 3kzg h ARG 139 Ca 0.15 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3kzg h ARG 139 Cb 0.56 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3kzg h ARG 139 CO 0.03 0.69 0.06 0.37 -1.51 0.00 0.00 179.97 179.61 3kzg h GLN 140 N 0.30 0.79 -0.41 0.20 4.15 -0.87 -0.48 115.11 118.79 3kzg h GLN 140 Ca 0.03 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3kzg h GLN 140 Cb 0.80 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 3kzg h GLN 140 CO 0.06 0.81 0.20 0.28 -1.93 0.00 0.00 178.83 178.26 3kzg h VAL 141 N 0.65 1.17 -0.65 2.39 2.07 -1.08 -2.52 116.25 118.29 3kzg h VAL 141 Ca 0.14 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3kzg h VAL 141 Cb 0.41 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3kzg h VAL 141 CO 0.01 0.18 0.09 -0.07 0.02 0.00 0.00 177.57 177.81 3kzg h LEU 142 N 0.53 1.02 -1.34 2.57 3.38 -1.26 -2.88 115.31 117.34 3kzg h LEU 142 Ca 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3kzg h LEU 142 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3kzg h LEU 142 CO -0.02 1.02 0.01 0.77 0.09 0.00 0.00 178.44 180.32 3kzg h SER 143 N 1.00 0.42 0.66 -0.43 4.64 -0.88 -1.07 113.55 117.89 3kzg h SER 143 Ca 0.20 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3kzg h SER 143 Cb 0.44 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3kzg h SER 143 CO 0.01 0.48 0.00 -0.62 -0.87 0.00 0.00 176.83 175.83 3kzg n GLU 144 N -4.31 0.01 -3.33 4.77 1.02 -0.97 -4.94 120.64 112.89 3kzg n GLU 144 Ca 0.01 0.19 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 3kzg n GLU 144 Cb 0.22 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3kzg n GLU 144 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kzg n ASN 145 N -1.55 -3.13 -0.91 1.62 4.05 -0.41 -4.89 115.26 110.04 3kzg n ASN 145 Ca 0.04 -0.63 -0.00 0.00 0.45 0.00 0.00 54.58 54.44 3kzg n ASN 145 Cb 0.22 -1.04 0.17 0.00 1.23 0.00 0.00 39.78 40.37 3kzg n ASN 145 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3kzg n ARG 146 N -1.85 2.01 -3.82 1.20 1.74 -1.26 -4.95 116.66 109.72 3kzg n ARG 146 Ca -0.21 -3.48 -0.27 0.00 -0.77 0.00 0.00 57.85 53.12 3kzg n ARG 146 Cb 0.46 -1.76 0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3kzg n ARG 146 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kzg n ASN 147 N -1.04 -3.73 -4.86 0.55 4.13 -1.26 -0.98 115.26 108.07 3kzg n ASN 147 Ca 0.25 -0.77 -0.35 0.00 1.68 0.00 0.00 54.58 55.38 3kzg n ASN 147 Cb 0.76 -4.04 -0.06 0.00 -1.54 0.00 0.00 39.78 34.90 3kzg n ASN 147 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3kzg s ASN 148 N -3.66 6.20 -0.21 6.41 0.01 -1.26 -2.20 114.94 120.23 3kzg s ASN 148 Ca 0.44 0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 52.84 3kzg s ASN 148 Cb -0.22 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 3kzg s ASN 148 CO 0.82 0.34 0.17 -1.58 -1.51 0.00 0.00 177.10 175.33 3kzg s GLN 149 N -1.45 4.15 -0.13 -0.60 0.74 0.59 -4.90 119.66 118.06 3kzg s GLN 149 Ca 0.20 -0.19 -0.20 0.00 0.05 0.00 0.00 55.36 55.22 3kzg s GLN 149 Cb -0.12 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3kzg s GLN 149 CO 0.11 0.20 0.56 0.08 -0.55 0.00 0.00 175.29 175.69 3kzg s VAL 150 N 0.65 5.12 -0.19 1.34 1.01 -1.26 0.23 120.40 127.29 3kzg s VAL 150 Ca 0.09 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.15 3kzg s VAL 150 Cb -0.12 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3kzg s VAL 150 CO 0.01 0.25 -0.06 -0.63 0.00 0.00 0.00 175.10 174.67 3kzg s ILE 151 N 1.01 3.34 -0.08 2.22 -1.09 -0.13 -4.92 121.20 121.54 3kzg s ILE 151 Ca 0.29 -0.52 -0.22 0.00 -2.23 0.00 0.00 60.65 57.97 3kzg s ILE 151 Cb -0.16 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 3kzg s ILE 151 CO 0.12 0.45 0.63 -0.36 -1.23 0.00 0.00 174.94 174.55 3kzg s PHE 152 N 1.13 3.55 -0.11 3.97 0.08 -1.26 -1.48 117.98 123.86 3kzg s PHE 152 Ca 0.01 1.13 0.02 0.00 0.12 0.00 0.00 56.93 58.21 3kzg s PHE 152 Cb -0.15 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 3kzg s PHE 152 CO -0.01 0.11 -0.17 0.71 -0.10 0.00 0.00 175.22 175.76 3kzg s TYR 153 N 0.75 2.11 0.20 0.36 2.02 -0.53 -4.95 117.35 117.31 3kzg s TYR 153 Ca 0.34 -0.97 0.04 0.00 -0.37 0.00 0.00 57.07 56.10 3kzg s TYR 153 Cb -0.17 -1.49 0.12 0.00 -0.40 0.00 0.00 41.96 40.02 3kzg s TYR 153 CO 0.15 -0.47 1.47 1.49 -1.57 0.00 0.00 175.55 176.62 3kzg h GLU 154 N 7.26 0.19 -6.34 -0.62 4.81 -1.92 -0.76 114.58 117.20 3kzg h GLU 154 Ca -0.30 -0.17 -0.69 0.00 -0.13 0.00 0.00 59.36 58.07 3kzg h GLU 154 Cb 1.19 0.04 -0.24 0.00 0.63 0.00 0.00 28.75 30.36 3kzg h GLU 154 CO 0.50 0.85 -0.79 -0.51 -0.73 0.00 0.00 179.01 178.33 3kzg s LEU 155 N -7.61 2.64 0.23 1.64 1.02 -1.26 -4.58 118.68 110.76 3kzg s LEU 155 Ca -0.03 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.81 3kzg s LEU 155 Cb 0.11 -1.53 0.25 0.00 0.02 0.00 0.00 46.19 45.05 3kzg s LEU 155 CO 0.81 0.34 1.86 0.40 0.02 0.00 0.00 176.35 179.78 3kzg h ILE 156 N 4.39 1.09 -0.49 -0.59 1.08 -1.87 -2.43 117.51 118.70 3kzg h ILE 156 Ca -0.45 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 3kzg h ILE 156 Cb 1.15 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 3kzg h ILE 156 CO 0.50 0.18 0.16 1.56 -0.69 0.00 0.00 178.15 179.86 3kzg h GLN 157 N 0.96 0.71 -1.46 2.37 4.20 -1.96 -1.16 115.11 118.76 3kzg h GLN 157 Ca 0.33 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3kzg h GLN 157 Cb 0.06 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3kzg h GLN 157 CO -0.13 0.61 0.00 -0.25 -0.67 0.00 0.00 178.83 178.39 3kzg n ASP 158 N -4.33 1.83 0.00 1.46 10.43 -0.92 -1.29 116.55 123.74 3kzg n ASP 158 Ca 0.04 -1.20 0.00 0.00 2.57 0.00 0.00 54.79 56.19 3kzg n ASP 158 Cb 0.18 -0.31 0.00 0.00 1.84 0.00 0.00 41.12 42.82 3kzg n ASP 158 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kzg n LEU 160 N 0.78 0.00 -0.18 0.64 4.77 -0.44 -1.59 117.00 120.98 3kzg n LEU 160 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3kzg n LEU 160 Cb 0.29 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3kzg n LEU 160 CO 0.00 0.00 0.82 0.25 -1.33 0.00 0.00 177.39 177.13 3kzg h LEU 161 N 0.00 0.87 -0.98 2.23 5.85 -1.45 -2.11 115.31 119.71 3kzg h LEU 161 Ca 0.00 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 3kzg h LEU 161 Cb 0.00 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3kzg h LEU 161 CO 0.00 0.96 0.15 1.23 -0.34 0.00 0.00 178.44 180.43 3kzg h GLY 162 N 0.76 0.95 0.95 3.75 0.00 -1.56 -0.46 103.07 107.47 3kzg h GLY 162 Ca 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3kzg h GLY 162 CO 0.02 0.51 0.18 -2.00 0.00 0.00 0.00 176.54 175.26 3kzg h LEU 163 N 0.85 0.44 -0.75 3.11 5.85 -1.75 0.44 115.31 123.49 3kzg h LEU 163 Ca 0.19 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3kzg h LEU 163 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3kzg h LEU 163 CO -0.00 0.42 0.02 0.28 -0.34 0.00 0.00 178.44 178.81 3kzg h SER 164 N 0.43 0.94 -0.42 1.25 0.02 -1.05 -2.71 113.55 112.01 3kzg h SER 164 Ca 0.12 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 3kzg h SER 164 Cb 0.08 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.30 3kzg h SER 164 CO -0.02 0.98 0.15 0.59 -1.14 0.00 0.00 176.83 177.40 3kzg n ASN 165 N -4.20 3.58 -1.62 3.07 3.02 -0.21 -4.91 115.26 113.99 3kzg n ASN 165 Ca 0.03 -2.68 -0.15 0.00 -0.03 0.00 0.00 54.58 51.75 3kzg n ASN 165 Cb 0.32 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 3kzg n ASN 165 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kzg n ASN 166 N 0.03 -4.02 0.02 6.41 3.02 -0.71 -4.82 115.26 115.19 3kzg n ASN 166 Ca 0.23 0.32 -0.01 0.00 -0.03 0.00 0.00 54.58 55.09 3kzg n ASN 166 Cb 0.94 -3.64 0.27 0.00 -0.61 0.00 0.00 39.78 36.74 3kzg n ASN 166 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3kzg h GLN 167 N 0.00 0.47 -5.68 3.52 4.15 -0.39 -3.43 115.11 113.75 3kzg h GLN 167 Ca -0.31 -0.13 -0.47 0.00 0.77 0.00 0.00 58.65 58.50 3kzg h GLN 167 Cb 1.02 -0.05 -0.15 0.00 0.21 0.00 0.00 27.48 28.51 3kzg h GLN 167 CO 0.44 0.59 -0.75 0.14 -1.93 0.00 0.00 178.83 177.33 3kzg s VAL 168 N -4.73 1.77 -0.10 2.39 -7.23 -1.21 -4.96 120.40 106.33 3kzg s VAL 168 Ca -0.07 -2.12 0.15 0.00 -1.81 0.00 0.00 61.98 58.13 3kzg s VAL 168 Cb 0.15 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 3kzg s VAL 168 CO 0.77 -0.51 1.03 0.44 -0.31 0.00 0.00 175.10 176.53 3kzg h ASP 169 N 2.78 0.00 -5.34 4.85 3.32 -1.10 -3.42 116.42 117.50 3kzg h ASP 169 Ca -0.39 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.83 3kzg h ASP 169 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 3kzg h ASP 169 CO 0.58 0.64 0.50 0.00 -1.72 0.00 0.00 179.24 179.24 3kzg s ALA 170 N -2.88 -1.65 0.07 3.45 0.00 -1.09 -4.68 121.76 114.98 3kzg s ALA 170 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.08 3kzg s ALA 170 Cb 0.08 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 3kzg s ALA 170 CO 0.79 -1.05 -0.14 0.45 0.00 0.00 0.00 175.76 175.82 3kzg s SER 171 N -2.99 1.62 -0.08 0.00 0.15 -0.23 -0.11 113.70 112.07 3kzg s SER 171 Ca 0.13 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.19 3kzg s SER 171 Cb -0.01 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 3kzg s SER 171 CO 0.03 -0.09 -0.16 -0.22 1.20 0.00 0.00 173.24 174.00 3kzg s LEU 172 N -1.74 2.60 0.20 3.45 2.96 -0.69 -0.90 118.68 124.56 3kzg s LEU 172 Ca -0.02 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 3kzg s LEU 172 Cb -0.10 -1.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.97 3kzg s LEU 172 CO 0.02 0.26 1.20 -1.81 -1.32 0.00 0.00 176.35 174.70 3kzg s ASP 174 N -0.22 7.08 0.12 3.68 1.01 -1.26 -4.50 116.67 122.57 3kzg s ASP 174 Ca 0.00 2.27 -0.29 0.00 0.71 0.00 0.00 52.55 55.25 3kzg s ASP 174 Cb -0.13 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 3kzg s ASP 174 CO 0.03 -0.37 1.60 0.22 0.21 0.00 0.00 175.17 176.86 3kzg h TYR 175 N 5.01 -1.07 0.00 4.23 3.20 -0.56 0.22 116.97 128.00 3kzg h TYR 175 Ca -0.45 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kzg h TYR 175 Cb 1.21 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 3kzg h TYR 175 CO 0.62 -0.46 -0.02 0.93 -1.64 0.00 0.00 178.16 177.58 3kzg h GLU 176 N -0.53 0.00 -0.11 1.82 4.39 -1.97 -0.70 114.58 117.48 3kzg h GLU 176 Ca 0.06 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 3kzg h GLU 176 Cb 0.62 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3kzg h GLU 176 CO -0.30 0.02 -0.68 0.00 -1.16 0.00 0.00 179.01 176.89 3kzg h ALA 177 N 1.98 0.24 -0.74 3.43 0.00 -1.52 -2.35 119.26 120.30 3kzg h ALA 177 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3kzg h ALA 177 Cb 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kzg h ALA 177 CO 0.00 0.54 0.35 0.00 0.00 0.00 0.00 179.25 180.14 3kzg h ALA 178 N 0.49 0.95 -0.87 0.00 0.00 0.15 -2.13 119.26 117.86 3kzg h ALA 178 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kzg h ALA 178 Cb 1.32 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3kzg h ALA 178 CO 0.14 0.52 0.46 0.87 0.00 0.00 0.00 179.25 181.25 3kzg h LYS 179 N 1.04 1.22 0.01 0.00 1.57 -1.16 -2.86 116.57 116.39 3kzg h LYS 179 Ca 0.25 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3kzg h LYS 179 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3kzg h LYS 179 CO -0.03 0.90 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.77 3kzg h TYR 180 N 1.22 -0.14 0.00 -1.35 3.20 -0.88 -2.65 116.97 116.37 3kzg h TYR 180 Ca 0.30 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 3kzg h TYR 180 Cb 0.05 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3kzg h TYR 180 CO 0.01 -0.09 0.08 0.91 -1.64 0.00 0.00 178.16 177.43 3kzg n TRP 181 N -5.17 0.00 -0.00 -3.82 7.02 -0.85 -3.19 117.44 111.43 3kzg n TRP 181 Ca -0.06 -0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.01 3kzg n TRP 181 Cb 0.10 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 3kzg n TRP 181 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3kzg n ALA 183 N 2.23 0.00 0.00 6.99 0.00 -1.00 -4.53 120.51 124.20 3kzg n ALA 183 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kzg n ALA 183 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3kzg n ALA 183 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kzg n SER 184 N 0.00 0.00 -2.65 0.00 3.41 -1.19 -5.04 113.62 108.15 3kzg n SER 184 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3kzg n SER 184 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3kzg n SER 184 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kzg n GLU 185 N 0.00 0.02 -0.07 4.33 4.07 -1.26 -4.86 120.64 122.88 3kzg n GLU 185 Ca 0.00 -0.56 -0.20 0.00 -0.06 0.00 0.00 57.16 56.34 3kzg n GLU 185 Cb 0.00 0.38 -0.12 0.00 -0.06 0.00 0.00 31.44 31.64 3kzg n GLU 185 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3kzg h PRO 186 N 3.98 0.06 0.00 5.31 0.11 -1.99 -3.40 132.00 136.06 3kzg h PRO 186 Ca -0.03 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3kzg h PRO 186 Cb 1.18 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kzg h PRO 186 CO -0.14 1.05 0.00 0.98 -0.21 0.00 0.00 178.00 179.68 3kzg n TYR 187 N -4.35 0.00 -3.38 0.65 9.36 -1.26 -4.96 117.16 113.21 3kzg n TYR 187 Ca -0.24 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.52 3kzg n TYR 187 Cb 0.68 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.36 3kzg n TYR 187 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kzg s ALA 188 N -3.32 3.98 0.00 2.98 0.00 -1.26 -4.57 121.76 119.58 3kzg s ALA 188 Ca 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 48.70 3kzg s ALA 188 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3kzg s ALA 188 CO 0.00 -2.23 0.82 2.48 0.00 0.00 0.00 175.76 176.83 3kzg n TYR 189 N 4.00 0.00 -0.92 0.00 4.11 -1.26 -4.22 117.16 118.87 3kzg n TYR 189 Ca 0.11 -0.41 -0.21 0.00 -0.00 0.00 0.00 57.90 57.39 3kzg n TYR 189 Cb 0.45 -0.30 0.14 0.00 -0.00 0.00 0.00 39.34 39.63 3kzg n TYR 189 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3kzg n LYS 190 N 1.40 2.10 -3.35 -3.48 4.01 -1.26 -3.79 118.16 113.79 3kzg n LYS 190 Ca 0.00 -2.57 -0.32 0.00 -0.51 0.00 0.00 58.31 54.92 3kzg n LYS 190 Cb 0.25 -2.01 -0.06 0.00 -0.51 0.00 0.00 35.03 32.71 3kzg n LYS 190 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 3kzg n LEU 191 N -0.85 4.47 -1.50 -0.35 -0.00 -1.26 -4.91 117.00 112.60 3kzg n LEU 191 Ca 0.51 -5.36 -0.00 0.00 -0.00 0.00 0.00 56.01 51.16 3kzg n LEU 191 Cb 1.40 -0.86 -0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3kzg n LEU 191 CO 0.53 1.92 -0.00 -0.38 -0.00 0.00 0.00 177.39 179.46 3kzg n ILE 192 N 1.11 -2.90 0.00 1.47 5.41 -1.26 -4.94 119.36 118.25 3kzg n ILE 192 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.03 3kzg n ILE 192 Cb 0.38 -3.56 0.00 0.00 -0.71 0.00 0.00 39.64 35.76 3kzg n ILE 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kzg n GLY 193 N 0.00 0.81 0.00 7.39 0.00 -1.26 -4.75 105.19 107.38 3kzg n GLY 193 Ca -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3kzg n GLY 193 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kzg n LYS 194 N 0.00 0.00 0.00 1.61 4.81 -1.25 -4.88 118.16 118.45 3kzg n LYS 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kzg n LYS 194 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3kzg n LYS 194 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3kzg n LYS 195 N 0.00 0.00 -4.35 1.64 4.76 -1.26 -4.87 118.16 114.08 3kzg n LYS 195 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 3kzg n LYS 195 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 3kzg n LYS 195 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kzg s TYR 196 N 0.00 2.54 -0.09 2.13 2.02 -1.26 0.12 117.35 122.81 3kzg s TYR 196 Ca 0.00 -0.32 -0.14 0.00 -0.37 0.00 0.00 57.07 56.24 3kzg s TYR 196 Cb 0.00 -1.23 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3kzg s TYR 196 CO 0.00 0.60 0.35 -1.59 -1.57 0.00 0.00 175.55 173.35 3kzg s LYS 197 N -3.64 0.54 0.35 -0.62 -2.85 0.28 -4.36 119.74 109.43 3kzg s LYS 197 Ca 0.32 0.24 -0.21 0.00 -1.00 0.00 0.00 55.97 55.32 3kzg s LYS 197 Cb -0.04 0.25 -0.10 0.00 -2.06 0.00 0.00 37.83 35.88 3kzg s LYS 197 CO 0.18 -0.11 0.87 -0.51 0.10 0.00 0.00 175.35 175.89 3kzg s LEU 198 N -0.42 4.11 -0.17 2.77 1.43 -1.26 -1.41 118.68 123.73 3kzg s LEU 198 Ca -0.05 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 54.65 3kzg s LEU 198 Cb -0.04 -4.20 0.04 0.00 0.03 0.00 0.00 46.19 42.03 3kzg s LEU 198 CO 0.02 -0.21 -0.07 -0.63 0.23 0.00 0.00 176.35 175.69 3kzg s ILE 199 N -1.92 1.27 0.00 -0.59 -1.09 -0.55 -4.94 121.20 113.38 3kzg s ILE 199 Ca 0.55 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3kzg s ILE 199 Cb -0.12 -1.38 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 3kzg s ILE 199 CO 0.17 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3kzg n GLY 200 N 4.83 -1.75 3.91 6.18 0.00 -1.26 -4.03 105.19 113.06 3kzg n GLY 200 Ca -0.13 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 3kzg n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kzg s LYS 201 N -1.99 2.66 0.74 1.61 -2.85 -1.26 -4.87 119.74 113.78 3kzg s LYS 201 Ca 0.00 0.13 -0.14 0.00 -1.00 0.00 0.00 55.97 54.96 3kzg s LYS 201 Cb 0.00 -2.13 0.05 0.00 -2.06 0.00 0.00 37.83 33.69 3kzg s LYS 201 CO 0.00 -1.02 1.18 -1.59 0.10 0.00 0.00 175.35 174.02 3kzg s LYS 202 N -5.24 2.11 -0.13 1.78 -2.85 -1.26 -4.83 119.74 109.32 3kzg s LYS 202 Ca 0.57 1.64 0.02 0.00 -1.00 0.00 0.00 55.97 57.20 3kzg s LYS 202 Cb -0.11 -1.84 -0.00 0.00 -2.06 0.00 0.00 37.83 33.82 3kzg s LYS 202 CO 0.48 -1.83 -0.18 0.42 0.10 0.00 0.00 175.35 174.33 3kzg s ILE 203 N -2.18 2.49 0.12 3.79 1.01 0.58 -4.94 121.20 122.08 3kzg s ILE 203 Ca 0.71 -0.85 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 3kzg s ILE 203 Cb -0.26 -2.02 -0.08 0.00 0.01 0.00 0.00 42.46 40.11 3kzg s ILE 203 CO 0.47 0.54 1.42 -0.55 0.00 0.00 0.00 174.94 176.81 3kzg s SER 204 N 0.57 6.79 -0.12 3.58 0.15 -1.26 -0.19 113.70 123.21 3kzg s SER 204 Ca -0.11 2.37 -0.07 0.00 0.70 0.00 0.00 55.95 58.84 3kzg s SER 204 Cb -0.16 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 3kzg s SER 204 CO 0.04 -0.68 0.30 -0.51 1.20 0.00 0.00 173.24 173.58 3kzg s ILE 205 N 1.12 -0.03 0.00 6.45 1.10 -1.12 -4.89 121.20 123.83 3kzg s ILE 205 Ca 0.65 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.90 3kzg s ILE 205 Cb -0.38 -0.44 0.00 0.00 0.15 0.00 0.00 42.46 41.79 3kzg s ILE 205 CO 0.30 0.04 0.00 0.61 -2.11 0.00 0.00 174.94 173.79 3kzg n GLY 206 N 3.99 -0.90 1.22 1.50 0.00 -1.26 -4.36 105.19 105.37 3kzg n GLY 206 Ca -0.23 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 3kzg n GLY 206 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kzg n GLU 207 N -0.66 2.27 0.00 1.61 1.02 0.17 -4.90 120.64 120.15 3kzg n GLU 207 Ca 0.00 -3.53 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 3kzg n GLU 207 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 3kzg n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kzg n GLY 208 N -1.00 2.44 3.76 0.62 0.00 -1.26 -4.75 105.19 105.01 3kzg n GLY 208 Ca 0.32 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 3kzg n GLY 208 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kzg s TYR 209 N -2.83 3.91 0.17 1.61 2.02 -1.26 -1.47 117.35 119.50 3kzg s TYR 209 Ca 0.00 1.71 -0.14 0.00 -0.37 0.00 0.00 57.07 58.28 3kzg s TYR 209 Cb 0.00 -2.85 0.01 0.00 -0.40 0.00 0.00 41.96 38.73 3kzg s TYR 209 CO 0.00 0.46 0.40 0.45 -1.57 0.00 0.00 175.55 175.30 3kzg s SER 210 N -1.01 -0.12 0.83 2.29 0.15 -1.26 -0.56 113.70 114.03 3kzg s SER 210 Ca 0.38 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 56.31 3kzg s SER 210 Cb -0.24 0.50 0.14 0.00 -1.71 0.00 0.00 66.02 64.72 3kzg s SER 210 CO 0.28 -0.96 1.16 -0.63 1.20 0.00 0.00 173.24 174.29 3kzg s ILE 211 N -3.90 2.09 0.00 6.45 1.01 -1.26 -4.71 121.20 120.88 3kzg s ILE 211 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3kzg s ILE 211 Cb 0.01 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3kzg s ILE 211 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.91 3kzg n ALA 213 N -3.31 0.00 -1.72 9.38 0.00 -0.78 -1.37 120.51 122.71 3kzg n ALA 213 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 3kzg n ALA 213 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 3kzg n ALA 213 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kzg s ASN 214 N 0.00 6.01 0.47 0.00 -0.87 -1.26 -1.07 114.94 118.22 3kzg s ASN 214 Ca 0.00 1.81 0.22 0.00 -1.57 0.00 0.00 52.86 53.32 3kzg s ASN 214 Cb 0.00 -2.54 1.23 0.00 -0.02 0.00 0.00 41.25 39.93 3kzg s ASN 214 CO 0.00 -1.01 1.91 -0.65 -2.57 0.00 0.00 177.10 174.79 3kzg h PRO 215 N 0.74 0.22 0.00 -0.60 0.11 -1.87 -1.45 132.00 129.14 3kzg h PRO 215 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kzg h PRO 215 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kzg h PRO 215 CO 0.58 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3kzg n ASP 216 N -4.42 0.00 -1.64 -2.05 5.68 -1.26 -3.50 116.55 109.36 3kzg n ASP 216 Ca 0.15 -1.69 -0.11 0.00 -0.50 0.00 0.00 54.79 52.65 3kzg n ASP 216 Cb 0.69 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.88 3kzg n ASP 216 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kzg n GLN 217 N -0.65 2.31 0.12 0.11 6.02 -0.55 -4.69 117.38 120.06 3kzg n GLN 217 Ca 0.07 -3.09 0.12 0.00 -0.01 0.00 0.00 57.00 54.10 3kzg n GLN 217 Cb 0.03 -2.00 0.63 0.00 1.02 0.00 0.00 30.24 29.92 3kzg n GLN 217 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3kzg h PHE 218 N 1.28 0.08 -0.27 1.08 -5.15 -1.77 -2.06 116.94 110.13 3kzg h PHE 218 Ca 0.36 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.10 3kzg h PHE 218 Cb 2.17 -0.03 -0.01 0.00 0.22 0.00 0.00 35.95 38.31 3kzg h PHE 218 CO 1.23 0.04 0.03 0.28 -2.00 0.00 0.00 178.31 177.89 3kzg h VAL 219 N 0.08 1.24 -0.27 0.88 2.07 -1.93 -0.86 116.25 117.46 3kzg h VAL 219 Ca 0.13 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 3kzg h VAL 219 Cb 0.41 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3kzg h VAL 219 CO -0.01 0.26 -0.22 0.25 0.02 0.00 0.00 177.57 177.87 3kzg h LEU 220 N 0.25 0.50 -0.50 2.57 5.85 -1.80 -2.50 115.31 119.68 3kzg h LEU 220 Ca 0.08 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 3kzg h LEU 220 Cb 0.36 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3kzg h LEU 220 CO 0.01 0.73 -0.06 0.40 -0.34 0.00 0.00 178.44 179.18 3kzg h ILE 221 N 0.45 1.27 -0.31 4.05 1.08 -1.22 -2.28 117.51 120.54 3kzg h ILE 221 Ca 0.07 -1.17 -0.03 0.00 -0.39 0.00 0.00 64.86 63.34 3kzg h ILE 221 Cb 0.63 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 3kzg h ILE 221 CO 0.04 0.41 0.07 0.11 -0.69 0.00 0.00 178.15 178.10 3kzg h LYS 222 N 0.79 0.45 -0.17 2.37 1.57 -0.88 -0.31 116.57 120.39 3kzg h LYS 222 Ca 0.14 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3kzg h LYS 222 Cb 0.60 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kzg h LYS 222 CO 0.04 0.42 -0.15 0.87 -0.57 0.00 0.00 179.45 180.05 3kzg h LYS 223 N 0.45 0.41 -0.96 3.15 1.57 -1.22 -2.79 116.57 117.17 3kzg h LYS 223 Ca 0.11 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3kzg h LYS 223 Cb 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3kzg h LYS 223 CO -0.00 0.77 0.63 0.82 -0.57 0.00 0.00 179.45 181.09 3kzg h ILE 224 N 0.07 1.21 -0.80 1.86 2.04 -1.07 -1.78 117.51 119.03 3kzg h ILE 224 Ca 0.03 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3kzg h ILE 224 Cb 0.68 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3kzg h ILE 224 CO 0.04 0.23 0.45 0.78 0.00 0.00 0.00 178.15 179.65 3kzg h ASN 225 N 1.26 0.98 -0.04 1.72 2.35 -0.95 0.43 115.58 121.33 3kzg h ASN 225 Ca 0.37 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.92 3kzg h ASN 225 Cb -0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 3kzg h ASN 225 CO -0.10 0.78 -0.36 0.11 -1.65 0.00 0.00 177.43 176.21 3kzg h LYS 226 N 1.12 0.53 -0.53 0.81 1.57 -1.16 -2.05 116.57 116.87 3kzg h LYS 226 Ca 0.29 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3kzg h LYS 226 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3kzg h LYS 226 CO -0.05 0.82 0.18 0.82 -0.57 0.00 0.00 179.45 180.65 3kzg h ILE 227 N 0.45 1.23 -0.28 1.86 1.08 -0.42 -0.35 117.51 121.08 3kzg h ILE 227 Ca 0.05 -0.75 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3kzg h ILE 227 Cb 0.84 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 3kzg h ILE 227 CO 0.07 0.28 0.18 -0.07 -0.69 0.00 0.00 178.15 177.91 3kzg h LEU 228 N 0.72 0.30 -1.14 1.44 3.38 -0.74 -2.43 115.31 116.83 3kzg h LEU 228 Ca 0.17 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3kzg h LEU 228 Cb 0.25 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3kzg h LEU 228 CO -0.01 0.22 0.55 -0.07 0.09 0.00 0.00 178.44 179.22 3kzg h LEU 229 N 0.36 0.99 -1.71 1.67 3.38 -1.07 -0.47 115.31 118.46 3kzg h LEU 229 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kzg h LEU 229 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kzg h LEU 229 CO -0.03 0.73 0.00 -0.62 0.09 0.00 0.00 178.44 178.60 3kzg n GLU 230 N -4.40 0.43 0.00 1.13 1.02 -0.17 -1.55 120.64 117.11 3kzg n GLU 230 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3kzg n GLU 230 Cb 0.03 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3kzg n GLU 230 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kzg n GLU 232 N 0.64 0.00 0.09 3.49 1.02 -0.19 -1.86 120.64 123.84 3kzg n GLU 232 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3kzg n GLU 232 Cb 0.18 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.60 3kzg n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kzg h ALA 233 N 0.00 0.58 -0.70 0.62 0.00 -1.54 -3.31 119.26 114.91 3kzg h ALA 233 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3kzg h ALA 233 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kzg h ALA 233 CO 0.00 1.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 3kzg n ASP 234 N -3.49 3.93 0.00 0.00 5.68 -0.78 -4.96 116.55 116.94 3kzg n ASP 234 Ca -0.00 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 3kzg n ASP 234 Cb 0.81 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3kzg n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kzg n GLY 235 N 1.54 2.78 0.31 6.12 0.00 -1.25 -4.91 105.19 109.78 3kzg n GLY 235 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3kzg n GLY 235 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kzg h THR 236 N 0.00 0.87 0.23 2.61 2.02 -1.89 -0.82 112.91 115.92 3kzg h THR 236 Ca 0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3kzg h THR 236 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3kzg h THR 236 CO 0.00 0.14 -0.11 0.22 0.37 0.00 0.00 175.52 176.14 3kzg h TYR 237 N 0.77 -0.28 -0.58 3.16 5.03 -1.91 -2.26 116.97 120.90 3kzg h TYR 237 Ca 0.42 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.80 3kzg h TYR 237 Cb 0.43 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.74 3kzg h TYR 237 CO -0.06 -0.06 0.25 1.25 -1.32 0.00 0.00 178.16 178.22 3kzg h LEU 238 N -0.47 0.30 0.15 2.82 5.85 -1.79 0.70 115.31 122.87 3kzg h LEU 238 Ca -0.03 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kzg h LEU 238 Cb 0.35 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kzg h LEU 238 CO 0.05 0.19 -0.33 -0.09 -0.34 0.00 0.00 178.44 177.93 3kzg h ARG 239 N 0.46 -0.55 -0.41 1.25 2.43 -1.06 0.55 114.38 117.05 3kzg h ARG 239 Ca 0.28 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3kzg h ARG 239 Cb 0.29 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3kzg h ARG 239 CO -0.25 -0.36 0.26 1.25 -1.51 0.00 0.00 179.97 179.36 3kzg h LEU 240 N -0.57 0.49 -0.36 3.80 5.85 -1.01 -1.85 115.31 121.67 3kzg h LEU 240 Ca 0.02 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3kzg h LEU 240 Cb 0.59 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3kzg h LEU 240 CO -0.17 0.38 0.16 0.22 -0.34 0.00 0.00 178.44 178.69 3kzg h TYR 241 N 0.55 0.29 -0.26 1.25 3.20 -0.57 -2.51 116.97 118.92 3kzg h TYR 241 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3kzg h TYR 241 Cb -0.03 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3kzg h TYR 241 CO -0.04 0.15 -0.17 0.66 -1.64 0.00 0.00 178.16 177.12 3kzg h SER 242 N 0.34 0.45 -0.92 -2.11 4.64 -0.76 0.71 113.55 115.89 3kzg h SER 242 Ca 0.15 -0.13 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3kzg h SER 242 Cb 0.08 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 61.99 3kzg h SER 242 CO -0.12 0.64 0.59 -0.33 -0.87 0.00 0.00 176.83 176.74 3kzg h GLU 243 N 0.42 0.91 0.04 4.77 5.08 -0.89 -3.26 114.58 121.65 3kzg h GLU 243 Ca 0.07 -0.05 -0.37 0.00 -1.00 0.00 0.00 59.36 58.01 3kzg h GLU 243 Cb 0.54 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3kzg h GLU 243 CO 0.04 0.60 -2.12 0.66 -1.00 0.00 0.00 179.01 177.18 3kzg n TYR 244 N -4.53 0.58 0.21 4.33 4.01 -1.02 -5.12 117.16 115.61 3kzg n TYR 244 Ca 0.16 0.16 0.02 0.00 -0.16 0.00 0.00 57.90 58.08 3kzg n TYR 244 Cb 0.29 -1.07 0.02 0.00 -0.31 0.00 0.00 39.34 38.27 3kzg n TYR 244 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59