#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzg h LEU 19 N 0.00 -0.08 -2.11 1.04 4.07 -1.92 -3.50 115.31 112.82 3kzg h LEU 19 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3kzg h LEU 19 Cb 0.00 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.71 3kzg h LEU 19 CO 0.00 0.34 -1.24 -3.20 -1.08 0.00 0.00 178.44 173.26 3kzg n ASN 20 N -4.93 -5.00 -4.55 -0.43 2.85 -1.26 -4.95 115.26 96.99 3kzg n ASN 20 Ca -0.08 1.40 -0.31 0.00 -0.11 0.00 0.00 54.58 55.47 3kzg n ASN 20 Cb 0.23 -5.27 -0.11 0.00 1.24 0.00 0.00 39.78 35.87 3kzg n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3kzg s LEU 21 N -1.24 2.98 -0.28 1.20 1.43 -0.22 -4.94 118.68 117.61 3kzg s LEU 21 Ca -0.12 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3kzg s LEU 21 Cb 0.01 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3kzg s LEU 21 CO 0.78 0.25 0.01 -0.89 0.23 0.00 0.00 176.35 176.73 3kzg s THR 22 N -1.02 3.27 -0.21 5.49 2.01 -1.26 -1.69 115.64 122.23 3kzg s THR 22 Ca 0.17 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 3kzg s THR 22 Cb -0.11 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 3kzg s THR 22 CO 0.08 0.05 0.08 -0.63 -0.69 0.00 0.00 174.62 173.51 3kzg s ILE 23 N 1.36 4.75 0.04 1.82 1.09 0.10 0.51 121.20 130.87 3kzg s ILE 23 Ca -0.01 -0.04 -0.19 0.00 -1.10 0.00 0.00 60.65 59.31 3kzg s ILE 23 Cb -0.18 -3.18 -0.06 0.00 -1.06 0.00 0.00 42.46 37.98 3kzg s ILE 23 CO -0.01 0.40 0.56 -0.83 -0.10 0.00 0.00 174.94 174.96 3kzg s GLY 24 N 0.89 2.63 0.20 6.18 0.00 0.40 -0.73 107.32 116.90 3kzg s GLY 24 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 44.72 44.71 3kzg s GLY 24 CO 0.03 0.54 0.26 -1.08 0.00 0.00 0.00 173.10 172.85 3kzg s THR 25 N -0.75 0.02 0.68 0.90 -1.32 -0.83 -1.55 115.64 112.79 3kzg s THR 25 Ca 0.29 -1.68 -0.08 0.00 -1.21 0.00 0.00 61.69 59.01 3kzg s THR 25 Cb -0.19 -2.22 0.04 0.00 -1.51 0.00 0.00 72.50 68.61 3kzg s THR 25 CO 0.18 -0.11 1.01 -0.94 -2.21 0.00 0.00 174.62 172.55 3kzg s SER 26 N -3.06 5.18 0.09 8.08 1.04 -1.26 -1.08 113.70 122.69 3kzg s SER 26 Ca 0.28 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.45 3kzg s SER 26 Cb 0.04 -1.50 -0.25 0.00 0.10 0.00 0.00 66.02 64.41 3kzg s SER 26 CO 0.08 -1.39 1.19 0.11 0.98 0.00 0.00 173.24 174.21 3kzg h LYS 27 N -0.51 0.13 -1.20 4.02 1.57 -1.71 -3.43 116.57 115.43 3kzg h LYS 27 Ca -0.45 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.14 3kzg h LYS 27 Cb 1.28 0.08 -0.23 0.00 0.08 0.00 0.00 32.23 33.45 3kzg h LYS 27 CO 0.62 1.10 -0.32 0.12 -0.57 0.00 0.00 179.45 180.39 3kzg s PHE 28 N -2.68 -1.44 -0.42 -1.35 5.36 -1.26 -0.64 117.98 115.55 3kzg s PHE 28 Ca -0.02 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.48 3kzg s PHE 28 Cb 0.09 0.44 0.24 0.00 -0.34 0.00 0.00 43.02 43.45 3kzg s PHE 28 CO 0.85 -0.85 1.02 -1.71 -1.46 0.00 0.00 175.22 173.07 3kzg n ASN 29 N 5.42 -2.24 -4.75 6.13 5.15 0.53 -4.54 115.26 120.94 3kzg n ASN 29 Ca -0.01 -2.47 -0.37 0.00 -0.60 0.00 0.00 54.58 51.12 3kzg n ASN 29 Cb 0.51 1.31 0.03 0.00 -0.53 0.00 0.00 39.78 41.10 3kzg n ASN 29 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3kzg s PRO 30 N 0.53 3.14 -0.08 1.20 0.02 -1.22 -1.04 135.00 137.55 3kzg s PRO 30 Ca 0.29 1.97 0.09 0.00 0.02 0.00 0.00 61.00 63.36 3kzg s PRO 30 Cb 0.18 -2.11 0.40 0.00 0.02 0.00 0.00 34.50 32.99 3kzg s PRO 30 CO -0.15 -1.11 1.21 -0.35 -0.33 0.00 0.00 177.00 176.26 3kzg n PRO 31 N -1.23 2.62 0.00 5.54 -0.04 -1.26 -4.40 135.00 136.23 3kzg n PRO 31 Ca 0.12 -1.57 -0.10 0.00 -0.04 0.00 0.00 63.50 61.91 3kzg n PRO 31 Cb 0.48 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.18 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 2.18 -0.11 -2.00 0.54 0.04 -1.43 -0.77 116.94 115.39 3kzg h PHE 32 Ca 0.00 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3kzg h PHE 32 Cb 0.99 0.04 -0.20 0.00 2.20 0.00 0.00 35.95 38.98 3kzg h PHE 32 CO 0.46 0.41 0.16 -1.83 -0.60 0.00 0.00 178.31 176.91 3kzg s GLU 33 N -2.88 0.95 -0.04 1.51 1.03 -0.94 -0.85 118.70 117.48 3kzg s GLU 33 Ca -0.13 0.62 -0.02 0.00 0.03 0.00 0.00 54.97 55.47 3kzg s GLU 33 Cb -0.00 0.46 0.03 0.00 -0.80 0.00 0.00 34.13 33.81 3kzg s GLU 33 CO 0.47 -0.22 0.06 0.54 -1.33 0.00 0.00 175.26 174.78 3kzg s VAL 34 N -0.43 -0.11 -1.09 1.83 0.11 -0.41 -0.35 120.40 119.95 3kzg s VAL 34 Ca -0.06 0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 59.29 3kzg s VAL 34 Cb -0.02 -0.14 0.27 0.00 -1.53 0.00 0.00 36.38 34.96 3kzg s VAL 34 CO 0.06 0.16 1.09 0.86 -3.33 0.00 0.00 175.10 173.94 3kzg s TRP 35 N 1.97 4.24 -0.77 1.54 -0.00 0.18 -2.26 118.94 123.85 3kzg s TRP 35 Ca 0.02 -2.66 -0.23 0.00 -0.00 0.00 0.00 56.10 53.23 3kzg s TRP 35 Cb -0.12 -3.83 -0.17 0.00 -0.00 0.00 0.00 33.47 29.35 3kzg s TRP 35 CO -0.03 -0.95 1.89 -1.13 -0.00 0.00 0.00 176.95 176.73 3kzg n SER 36 N 2.77 2.43 -0.06 5.86 3.41 -1.25 -4.82 113.62 121.97 3kzg n SER 36 Ca 0.23 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3kzg n SER 36 Cb 0.40 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 3kzg n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kzg n GLY 37 N 4.88 0.46 2.14 5.00 0.00 -1.26 -3.41 105.19 113.00 3kzg n GLY 37 Ca 0.48 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.54 3.73 0.00 1.61 0.23 -1.26 -4.64 115.26 112.40 3kzg n ASN 38 Ca 0.00 -3.60 0.00 0.00 -0.53 0.00 0.00 54.58 50.45 3kzg n ASN 38 Cb 0.00 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 36.88 3kzg n ASN 38 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kzg n ASN 39 N -1.08 0.00 -1.86 0.53 3.02 -1.22 -4.66 115.26 109.99 3kzg n ASN 39 Ca 0.57 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.97 3kzg n ASN 39 Cb 1.61 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 40.81 3kzg n ASN 39 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3kzg n SER 40 N 0.00 6.33 0.00 6.41 2.88 -1.26 -5.00 113.62 122.97 3kzg n SER 40 Ca 0.00 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 3kzg n SER 40 Cb 0.00 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3kzg n SER 40 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3kzg n SER 41 N 0.52 -0.98 -4.71 -3.46 2.88 -1.26 -4.79 113.62 101.81 3kzg n SER 41 Ca 0.27 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.58 3kzg n SER 41 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 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 3.39 0.16 2.46 1.02 -1.26 -3.74 118.68 120.71 3kzg s LEU 42 Ca 0.00 -0.55 -0.10 0.00 0.02 0.00 0.00 54.13 53.50 3kzg s LEU 42 Cb 0.00 -1.91 -0.00 0.00 0.02 0.00 0.00 46.19 44.30 3kzg s LEU 42 CO 0.00 -0.06 0.31 -0.72 0.02 0.00 0.00 176.35 175.90 3kzg s TYR 43 N -2.29 0.29 0.00 0.29 -0.85 -0.96 -4.97 117.35 108.87 3kzg s TYR 43 Ca 0.33 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 3kzg s TYR 43 Cb -0.06 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.29 3kzg s TYR 43 CO 0.22 -0.73 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 3kzg n GLY 44 N -0.22 2.33 0.10 5.49 0.00 -1.26 -1.28 105.19 110.35 3kzg n GLY 44 Ca -0.09 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.13 -0.99 1.61 3.57 -0.75 -0.65 116.94 119.60 3kzg h PHE 45 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3kzg h PHE 45 Cb 0.00 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 3kzg h PHE 45 CO 0.00 -0.08 0.64 -0.44 -2.23 0.00 0.00 178.31 176.19 3kzg h ASP 46 N -0.07 1.00 0.31 0.41 3.32 -1.23 0.81 116.42 120.96 3kzg h ASP 46 Ca 0.04 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3kzg h ASP 46 Cb 0.12 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3kzg h ASP 46 CO -0.08 0.61 -0.15 0.40 -1.72 0.00 0.00 179.24 178.30 3kzg h ILE 47 N 1.12 0.72 -0.84 0.35 1.08 -1.54 -3.15 117.51 115.25 3kzg h ILE 47 Ca 0.45 -0.42 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 3kzg h ILE 47 Cb 0.25 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 3kzg h ILE 47 CO -0.20 0.08 0.54 0.44 -0.69 0.00 0.00 178.15 178.33 3kzg h ASP 48 N -0.64 0.89 0.00 1.72 3.32 -0.83 -1.09 116.42 119.78 3kzg h ASP 48 Ca -0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3kzg h ASP 48 Cb 0.46 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3kzg h ASP 48 CO 0.07 0.61 0.00 -0.11 -1.72 0.00 0.00 179.24 178.09 3kzg n LEU 49 N -4.57 0.03 0.00 1.55 7.94 0.25 -1.92 117.00 120.29 3kzg n LEU 49 Ca 0.10 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3kzg n LEU 49 Cb 0.10 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.03 3kzg n LEU 49 CO 0.34 0.01 0.00 1.67 -1.11 0.00 0.00 177.39 178.29 3kzg n GLN 51 N 0.14 0.00 -0.25 1.96 -0.06 -0.42 -1.47 117.38 117.29 3kzg n GLN 51 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 3kzg n GLN 51 Cb 0.01 0.00 0.14 0.00 -4.06 0.00 0.00 30.24 26.33 3kzg n GLN 51 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3kzg h GLU 52 N 0.00 1.08 -0.26 3.69 4.57 -1.64 -1.14 114.58 120.88 3kzg h GLU 52 Ca 0.00 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3kzg h GLU 52 Cb 0.00 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 3kzg h GLU 52 CO 0.00 0.83 0.06 0.82 -1.18 0.00 0.00 179.01 179.54 3kzg h ILE 53 N 1.07 1.22 -0.27 2.32 2.04 -1.52 -1.78 117.51 120.59 3kzg h ILE 53 Ca 0.26 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3kzg h ILE 53 Cb 0.12 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3kzg h ILE 53 CO -0.03 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.29 3kzg h ARG 55 N 0.41 1.03 0.00 0.00 2.43 -0.93 0.67 114.38 118.00 3kzg h ARG 55 Ca 0.09 -0.25 -0.13 0.00 -0.81 0.00 0.00 59.98 58.87 3kzg h ARG 55 Cb 0.36 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3kzg h ARG 55 CO 0.02 0.93 -0.63 0.00 -1.51 0.00 0.00 179.97 178.78 3kzg h ARG 56 N 0.96 0.00 0.00 0.20 3.08 -0.82 -2.41 114.38 115.39 3kzg h ARG 56 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kzg h ARG 56 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3kzg h ARG 56 CO 0.00 0.63 0.00 1.28 -1.07 0.00 0.00 179.97 180.81 3kzg n LEU 57 N -3.57 0.50 -3.14 3.04 4.77 0.55 -4.89 117.00 114.27 3kzg n LEU 57 Ca -0.00 0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 56.38 3kzg n LEU 57 Cb 0.68 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3kzg n LEU 57 CO 0.42 -0.26 0.14 1.41 -1.33 0.00 0.00 177.39 177.77 3kzg n HIS 58 N -2.00 -2.13 -4.62 -1.77 8.25 -0.23 -4.86 115.22 107.87 3kzg n HIS 58 Ca 0.05 0.84 -0.22 0.00 -0.26 0.00 0.00 57.72 58.13 3kzg n HIS 58 Cb 0.32 -4.62 -0.15 0.00 1.12 0.00 0.00 29.99 26.66 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 -3.30 1.13 0.40 -1.41 0.00 0.06 -3.61 121.76 115.03 3kzg s ALA 59 Ca 0.19 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 3kzg s ALA 59 Cb -0.08 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.65 3kzg s ALA 59 CO 0.63 0.27 1.17 0.95 0.00 0.00 0.00 175.76 178.79 3kzg s THR 60 N -0.28 3.13 -0.18 0.00 -4.23 -1.26 -4.33 115.64 108.48 3kzg s THR 60 Ca 0.05 0.95 0.01 0.00 -1.18 0.00 0.00 61.69 61.52 3kzg s THR 60 Cb -0.06 -3.54 0.03 0.00 1.34 0.00 0.00 72.50 70.27 3kzg s THR 60 CO -0.00 0.09 -0.18 0.00 -0.54 0.00 0.00 174.62 173.99 3kzg s THR 62 N 1.31 1.58 0.07 0.00 2.01 -0.68 -5.02 115.64 114.91 3kzg s THR 62 Ca 0.03 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 3kzg s THR 62 Cb -0.14 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3kzg s THR 62 CO -0.12 0.46 0.35 -0.36 -0.69 0.00 0.00 174.62 174.27 3kzg s PHE 63 N 0.98 3.56 -0.12 4.92 0.08 -1.26 0.00 117.98 126.15 3kzg s PHE 63 Ca -0.06 0.68 -0.01 0.00 0.12 0.00 0.00 56.93 57.65 3kzg s PHE 63 Cb -0.15 -2.08 0.04 0.00 -0.57 0.00 0.00 43.02 40.26 3kzg s PHE 63 CO -0.02 0.53 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.62 3kzg s GLU 64 N -1.99 0.88 -0.03 0.44 2.56 0.10 -4.90 118.70 115.76 3kzg s GLU 64 Ca 0.33 -0.15 -0.21 0.00 0.00 0.00 0.00 54.97 54.94 3kzg s GLU 64 Cb -0.13 -1.46 -0.05 0.00 2.00 0.00 0.00 34.13 34.49 3kzg s GLU 64 CO 0.19 -0.39 0.62 0.00 -0.56 0.00 0.00 175.26 175.12 3kzg s ALA 65 N 1.86 3.44 0.19 6.30 0.00 -1.26 -1.97 121.76 130.32 3kzg s ALA 65 Ca 0.03 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.07 3kzg s ALA 65 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 3kzg s ALA 65 CO -0.07 0.08 -0.04 0.71 0.00 0.00 0.00 175.76 176.45 3kzg s TYR 66 N 0.11 1.40 0.19 0.00 2.02 -0.24 -4.90 117.35 115.93 3kzg s TYR 66 Ca 0.32 -0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 3kzg s TYR 66 Cb -0.18 -0.78 -0.08 0.00 -0.40 0.00 0.00 41.96 40.52 3kzg s TYR 66 CO 0.17 -0.02 1.27 0.42 -1.57 0.00 0.00 175.55 175.82 3kzg s ILE 67 N -3.42 3.33 0.09 2.71 1.01 -1.26 -1.86 121.20 121.79 3kzg s ILE 67 Ca 0.23 1.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 3kzg s ILE 67 Cb 0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3kzg s ILE 67 CO 0.05 0.17 1.00 0.33 0.00 0.00 0.00 174.94 176.49 3kzg n PHE 68 N 2.60 -0.25 0.27 3.97 7.35 -1.26 0.21 117.46 130.36 3kzg n PHE 68 Ca 0.06 0.71 0.18 0.00 -0.76 0.00 0.00 57.45 57.64 3kzg n PHE 68 Cb 0.43 -0.52 0.97 0.00 0.35 0.00 0.00 39.48 40.71 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 0.00 0.76 -2.13 -0.00 -1.87 -0.88 116.42 112.31 3kzg h ASP 69 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 3kzg h ASP 69 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3kzg h ASP 69 CO -0.53 0.00 -0.16 0.47 -0.00 0.00 0.00 179.24 179.02 3kzg n ASP 70 N -2.76 0.20 -0.18 2.28 8.00 0.13 -3.84 116.55 120.39 3kzg n ASP 70 Ca -0.02 0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3kzg n ASP 70 Cb 0.08 -0.22 0.05 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.07 0.99 0.32 0.64 3.38 -1.15 -2.22 115.31 117.34 3kzg h LEU 71 Ca 0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kzg h LEU 71 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kzg h LEU 71 CO 0.00 1.08 -0.23 -0.26 0.09 0.00 0.00 178.44 179.12 3kzg h PHE 72 N 0.90 -0.60 -0.11 1.13 0.04 -1.75 0.02 116.94 116.58 3kzg h PHE 72 Ca 0.15 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 3kzg h PHE 72 Cb 0.61 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 3kzg h PHE 72 CO 0.04 -0.35 -0.37 -1.00 -0.60 0.00 0.00 178.31 176.04 3kzg h PRO 73 N -0.54 0.23 -0.18 1.51 0.13 -1.77 -1.66 132.00 129.71 3kzg h PRO 73 Ca -0.03 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3kzg h PRO 73 Cb 0.47 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3kzg h PRO 73 CO 0.01 0.57 0.12 0.00 -0.23 0.00 0.00 178.00 178.46 3kzg h ALA 74 N 1.43 0.23 -0.06 -0.56 0.00 -1.10 0.19 119.26 119.40 3kzg h ALA 74 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kzg h ALA 74 Cb 0.74 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3kzg h ALA 74 CO 0.06 -0.27 0.02 1.25 0.00 0.00 0.00 179.25 180.30 3kzg h LEU 75 N 0.23 0.08 -1.35 0.00 5.85 -0.90 0.14 115.31 119.37 3kzg h LEU 75 Ca 0.07 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3kzg h LEU 75 Cb -0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3kzg h LEU 75 CO -0.01 0.26 0.47 0.50 -0.34 0.00 0.00 178.44 179.32 3kzg h LYS 76 N -0.10 0.79 -0.28 1.25 1.63 -1.10 0.25 116.57 119.01 3kzg h LYS 76 Ca 0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3kzg h LYS 76 Cb 0.21 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3kzg h LYS 76 CO -0.00 0.52 0.00 0.09 -3.45 0.00 0.00 179.45 176.61 3kzg n ASN 77 N -4.47 1.25 -2.38 4.20 4.13 0.65 -4.89 115.26 113.75 3kzg n ASN 77 Ca 0.10 -2.03 -0.20 0.00 1.68 0.00 0.00 54.58 54.13 3kzg n ASN 77 Cb 0.17 -0.18 -0.01 0.00 -1.54 0.00 0.00 39.78 38.21 3kzg n ASN 77 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3kzg n ARG 78 N 0.12 -1.71 0.11 3.52 3.00 0.08 -4.87 116.66 116.89 3kzg n ARG 78 Ca 0.07 0.99 -0.04 0.00 -0.01 0.00 0.00 57.85 58.86 3kzg n ARG 78 Cb 0.21 -5.65 0.08 0.00 0.00 0.00 0.00 32.46 27.10 3kzg n ARG 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3kzg h GLU 79 N 0.00 0.07 -5.55 5.56 5.08 -0.92 -3.45 114.58 115.37 3kzg h GLU 79 Ca -0.48 -0.06 -0.46 0.00 -1.00 0.00 0.00 59.36 57.36 3kzg h GLU 79 Cb 1.36 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 3kzg h GLU 79 CO 0.57 0.76 -0.72 0.14 -1.00 0.00 0.00 179.01 178.77 3kzg s VAL 80 N -3.40 1.71 -0.06 3.13 -7.23 -1.24 -5.00 120.40 108.31 3kzg s VAL 80 Ca -0.02 -2.19 0.06 0.00 -1.81 0.00 0.00 61.98 58.02 3kzg s VAL 80 Cb 0.12 -2.13 -0.24 0.00 0.56 0.00 0.00 36.38 34.68 3kzg s VAL 80 CO 0.79 -0.53 0.58 0.44 -0.31 0.00 0.00 175.10 176.07 3kzg h ASP 81 N 2.50 0.14 -5.31 4.85 3.32 -0.25 -3.44 116.42 118.24 3kzg h ASP 81 Ca -0.38 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.22 3kzg h ASP 81 Cb 1.22 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 3kzg h ASP 81 CO 0.63 1.28 -0.43 -0.76 -1.72 0.00 0.00 179.24 178.25 3kzg s LEU 82 N -6.42 1.26 -0.05 1.55 1.43 -1.18 -4.70 118.68 110.57 3kzg s LEU 82 Ca -0.10 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 3kzg s LEU 82 Cb 0.08 0.89 0.02 0.00 0.03 0.00 0.00 46.19 47.21 3kzg s LEU 82 CO 0.81 -0.83 -0.04 -0.69 0.23 0.00 0.00 176.35 175.83 3kzg s VAL 83 N -3.99 0.56 -0.13 -1.59 1.01 -1.26 -0.45 120.40 114.54 3kzg s VAL 83 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3kzg s VAL 83 Cb 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.87 3kzg s VAL 83 CO -0.00 0.24 -0.01 -0.51 0.00 0.00 0.00 175.10 174.82 3kzg s ILE 84 N 1.11 0.69 -0.43 2.22 2.07 -0.59 -4.47 121.20 121.79 3kzg s ILE 84 Ca -0.08 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 3kzg s ILE 84 Cb -0.14 -0.93 0.24 0.00 0.13 0.00 0.00 42.46 41.76 3kzg s ILE 84 CO -0.01 0.11 0.99 0.00 -1.91 0.00 0.00 174.94 174.13 3kzg n ALA 85 N 5.03 -2.48 -0.96 1.50 0.00 -1.26 -4.28 120.51 118.05 3kzg n ALA 85 Ca -0.09 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3kzg n ALA 85 Cb 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.98 0.00 -3.71 0.00 3.41 -1.26 -4.94 113.62 109.10 3kzg n SER 86 Ca 0.09 0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3kzg n SER 86 Cb 0.64 -1.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.08 -0.01 -0.24 -1.33 1.01 -1.26 -4.95 121.20 113.34 3kzg s ILE 88 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3kzg s ILE 88 Cb 0.00 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3kzg s ILE 88 CO 0.00 0.01 1.16 -0.63 0.00 0.00 0.00 174.94 175.48 3kzg s ILE 89 N 0.74 4.44 0.08 2.92 1.01 0.04 -4.92 121.20 125.51 3kzg s ILE 89 Ca -0.04 1.71 0.03 0.00 0.00 0.00 0.00 60.65 62.35 3kzg s ILE 89 Cb -0.05 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3kzg s ILE 89 CO -0.05 -0.27 -0.09 0.42 0.00 0.00 0.00 174.94 174.95 3kzg s THR 90 N 3.56 0.81 0.30 2.92 -4.23 -1.26 -0.64 115.64 117.10 3kzg s THR 90 Ca 0.50 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3kzg s THR 90 Cb -0.17 -1.23 0.26 0.00 1.34 0.00 0.00 72.50 72.70 3kzg s THR 90 CO 0.13 -0.56 1.96 0.44 -0.54 0.00 0.00 174.62 176.05 3kzg h ASP 91 N 3.70 0.95 0.46 3.99 3.32 -1.99 -1.52 116.42 125.33 3kzg h ASP 91 Ca -0.37 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3kzg h ASP 91 Cb 1.19 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3kzg h ASP 91 CO 0.52 0.68 -0.43 -0.08 -1.72 0.00 0.00 179.24 178.21 3kzg h GLU 92 N 1.12 -0.86 0.00 3.56 4.57 -1.99 -2.73 114.58 118.25 3kzg h GLU 92 Ca 0.31 0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.51 3kzg h GLU 92 Cb -0.10 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3kzg h GLU 92 CO -0.07 -0.58 -0.19 0.00 -1.18 0.00 0.00 179.01 176.99 3kzg h ARG 93 N -0.90 0.00 0.00 1.92 2.47 -1.88 -2.30 114.38 113.70 3kzg h ARG 93 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3kzg h ARG 93 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3kzg h ARG 93 CO -0.05 0.19 0.00 0.87 0.56 0.00 0.00 179.97 181.54 3kzg h LYS 94 N 0.00 0.00 0.00 0.04 1.57 -0.96 -0.50 116.57 116.72 3kzg h LYS 94 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3kzg h LYS 94 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3kzg h LYS 94 CO 0.02 0.00 -0.22 0.87 -0.57 0.00 0.00 179.45 179.55 3kzg h LYS 95 N 0.00 0.00 0.00 3.15 1.57 -1.38 -3.31 116.57 116.60 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kzg h LYS 95 CO 0.00 0.22 0.00 0.72 -0.57 0.00 0.00 179.45 179.82 3kzg n HIS 96 N -3.58 0.00 -4.07 -1.35 8.25 -0.77 -5.09 115.22 108.60 3kzg n HIS 96 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 3kzg n HIS 96 Cb 0.36 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.23 0.53 0.27 4.41 0.08 -0.27 -4.47 117.98 118.30 3kzg s PHE 97 Ca 0.00 -1.04 0.10 0.00 0.12 0.00 0.00 56.93 56.12 3kzg s PHE 97 Cb 0.00 -0.36 -0.05 0.00 -0.57 0.00 0.00 43.02 42.04 3kzg s PHE 97 CO 0.00 -0.42 -0.08 0.96 -0.10 0.00 0.00 175.22 175.58 3kzg s ILE 98 N -3.93 3.08 0.07 0.64 -4.36 -0.50 -4.20 121.20 112.00 3kzg s ILE 98 Ca 0.09 -2.09 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 3kzg s ILE 98 Cb 0.08 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 3kzg s ILE 98 CO -0.08 -0.37 -0.14 -0.36 0.24 0.00 0.00 174.94 174.22 3kzg s PHE 99 N -2.37 1.24 0.96 1.37 0.08 -1.26 -1.67 117.98 116.33 3kzg s PHE 99 Ca 0.31 -0.45 -0.16 0.00 0.12 0.00 0.00 56.93 56.75 3kzg s PHE 99 Cb -0.06 -0.70 0.19 0.00 -0.57 0.00 0.00 43.02 41.88 3kzg s PHE 99 CO 0.18 0.06 1.27 -1.54 -0.10 0.00 0.00 175.22 175.09 3kzg s SER 100 N -1.69 3.13 0.57 1.36 1.04 -0.10 -4.97 113.70 113.04 3kzg s SER 100 Ca -0.01 0.41 -0.21 0.00 0.48 0.00 0.00 55.95 56.62 3kzg s SER 100 Cb -0.10 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 3kzg s SER 100 CO 0.02 -2.74 1.35 0.18 0.98 0.00 0.00 173.24 173.03 3kzg n LEU 101 N -3.80 5.69 -4.77 2.42 4.77 -1.26 -4.61 117.00 115.44 3kzg n LEU 101 Ca 0.13 0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 56.66 3kzg n LEU 101 Cb 0.60 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 3kzg n LEU 101 CO 0.48 -0.68 0.91 -2.16 -1.33 0.00 0.00 177.39 174.61 3kzg s PRO 102 N -3.02 4.30 -0.04 3.23 0.04 -1.26 -4.59 135.00 133.66 3kzg s PRO 102 Ca 0.75 2.05 0.17 0.00 0.04 0.00 0.00 61.00 64.01 3kzg s PRO 102 Cb -0.41 -2.97 0.54 0.00 0.04 0.00 0.00 34.50 31.71 3kzg s PRO 102 CO 0.47 -0.18 1.44 2.48 0.04 0.00 0.00 177.00 181.25 3kzg n TYR 103 N 0.64 0.95 -3.10 0.56 0.18 0.18 -4.95 117.16 111.60 3kzg n TYR 103 Ca 0.01 -0.43 -0.37 0.00 1.88 0.00 0.00 57.90 58.99 3kzg n TYR 103 Cb 0.44 -0.08 -0.06 0.00 -0.38 0.00 0.00 39.34 39.25 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 -1.44 4.29 -0.17 -3.48 2.12 -1.26 -5.00 118.70 113.77 3kzg s GLU 105 Ca 0.40 0.90 -0.06 0.00 0.36 0.00 0.00 54.97 56.57 3kzg s GLU 105 Cb 0.23 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 3kzg s GLU 105 CO 0.24 0.45 0.02 -1.54 -0.54 0.00 0.00 175.26 173.90 3kzg s SER 106 N -1.51 5.32 -0.01 -1.70 1.04 -1.26 -4.61 113.70 110.97 3kzg s SER 106 Ca 0.40 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 3kzg s SER 106 Cb -0.18 -1.88 -0.00 0.00 0.10 0.00 0.00 66.02 64.06 3kzg s SER 106 CO 0.22 0.18 0.07 0.20 0.98 0.00 0.00 173.24 174.88 3kzg s ASN 107 N 0.31 0.04 0.39 7.02 -0.87 -1.26 -2.74 114.94 117.82 3kzg s ASN 107 Ca 0.01 -0.13 0.08 0.00 -1.57 0.00 0.00 52.86 51.24 3kzg s ASN 107 Cb -0.13 0.16 -0.01 0.00 -0.02 0.00 0.00 41.25 41.25 3kzg s ASN 107 CO 0.01 -0.21 0.43 -0.94 -2.57 0.00 0.00 177.10 173.83 3kzg s SER 108 N -0.80 5.44 -0.19 -1.22 1.04 0.11 -0.51 113.70 117.57 3kzg s SER 108 Ca -0.09 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 3kzg s SER 108 Cb -0.05 -0.80 0.06 0.00 0.10 0.00 0.00 66.02 65.33 3kzg s SER 108 CO 0.00 -0.58 0.48 -1.58 0.98 0.00 0.00 173.24 172.55 3kzg s GLN 109 N -4.17 0.51 0.07 4.02 2.00 -1.26 -0.28 119.66 120.54 3kzg s GLN 109 Ca 0.48 0.83 -0.25 0.00 -2.00 0.00 0.00 55.36 54.43 3kzg s GLN 109 Cb -0.07 0.10 -0.06 0.00 0.80 0.00 0.00 33.01 33.78 3kzg s GLN 109 CO 0.30 -0.13 0.75 0.71 -0.50 0.00 0.00 175.29 176.42 3kzg s TYR 110 N 1.07 3.77 0.03 1.67 2.02 -1.25 -4.32 117.35 120.34 3kzg s TYR 110 Ca -0.07 1.48 -0.02 0.00 -0.37 0.00 0.00 57.07 58.10 3kzg s TYR 110 Cb -0.06 -2.78 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 3kzg s TYR 110 CO -0.10 0.34 0.01 -1.50 -1.57 0.00 0.00 175.55 172.73 3kzg s ILE 111 N -0.32 0.14 0.25 2.71 2.07 0.15 -0.55 121.20 125.65 3kzg s ILE 111 Ca 0.37 -1.13 -0.07 0.00 -1.41 0.00 0.00 60.65 58.41 3kzg s ILE 111 Cb -0.21 -0.68 0.03 0.00 0.13 0.00 0.00 42.46 41.73 3kzg s ILE 111 CO 0.23 -0.62 0.45 1.07 -1.91 0.00 0.00 174.94 174.16 3kzg n THR 112 N 1.09 0.00 -2.86 4.00 5.66 -0.57 -0.70 114.28 120.91 3kzg n THR 112 Ca -0.21 -0.82 -0.34 0.00 -3.05 0.00 0.00 64.05 59.63 3kzg n THR 112 Cb 0.57 0.67 -0.07 0.00 -1.55 0.00 0.00 70.33 69.95 3kzg n THR 112 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kzg s THR 113 N -2.51 4.40 0.54 1.09 -4.23 -1.26 -0.24 115.64 113.43 3kzg s THR 113 Ca 0.13 1.47 0.21 0.00 -1.18 0.00 0.00 61.69 62.32 3kzg s THR 113 Cb -0.02 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.45 3kzg s THR 113 CO 0.10 -0.21 2.14 -0.37 -0.54 0.00 0.00 174.62 175.74 3kzg h VAL 114 N 2.05 0.83 -0.31 2.29 -1.51 -0.25 -1.22 116.25 118.13 3kzg h VAL 114 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3kzg h VAL 114 Cb 1.18 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3kzg h VAL 114 CO 0.62 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.06 3kzg n ASP 115 N -4.33 2.80 -4.83 4.19 3.85 -1.26 -4.91 116.55 112.06 3kzg n ASP 115 Ca -0.01 -2.28 -0.33 0.00 -0.71 0.00 0.00 54.79 51.46 3kzg n ASP 115 Cb 0.19 -0.46 -0.07 0.00 -1.35 0.00 0.00 41.12 39.43 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 -0.62 6.90 0.44 -1.12 0.15 -0.46 -4.97 113.70 114.02 3kzg s SER 116 Ca 0.26 1.50 0.24 0.00 0.70 0.00 0.00 55.95 58.66 3kzg s SER 116 Cb 0.17 -2.46 0.66 0.00 -1.71 0.00 0.00 66.02 62.68 3kzg s SER 116 CO 0.11 -0.26 1.72 0.11 1.20 0.00 0.00 173.24 176.12 3kzg h LYS 117 N 2.21 0.00 -6.20 5.44 1.57 -1.91 -3.42 116.57 114.26 3kzg h LYS 117 Ca -0.48 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.73 3kzg h LYS 117 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 3kzg h LYS 117 CO 0.63 0.13 1.30 0.42 -0.57 0.00 0.00 179.45 181.36 3kzg s ILE 118 N -3.37 3.24 -0.12 1.86 1.01 -1.26 -4.79 121.20 117.78 3kzg s ILE 118 Ca 0.04 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.98 3kzg s ILE 118 Cb 0.07 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 3kzg s ILE 118 CO 0.64 -0.11 -0.08 -1.20 0.00 0.00 0.00 174.94 174.19 3kzg n SER 119 N 9.43 2.95 -4.46 3.58 7.64 -1.26 -5.05 113.62 126.44 3kzg n SER 119 Ca 0.23 -0.05 -0.23 0.00 1.01 0.00 0.00 58.87 59.82 3kzg n SER 119 Cb 0.44 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.53 3kzg n SER 119 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kzg s THR 120 N -2.25 2.28 0.57 0.44 2.01 -1.26 -4.80 115.64 112.63 3kzg s THR 120 Ca -0.14 -2.33 0.26 0.00 0.31 0.00 0.00 61.69 59.79 3kzg s THR 120 Cb 0.04 -2.34 0.36 0.00 0.01 0.00 0.00 72.50 70.57 3kzg s THR 120 CO 0.31 -0.38 2.07 0.15 -0.69 0.00 0.00 174.62 176.08 3kzg h PHE 121 N 2.26 0.00 0.00 4.92 3.57 -1.96 0.15 116.94 125.87 3kzg h PHE 121 Ca -0.40 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3kzg h PHE 121 Cb 1.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 3kzg h PHE 121 CO 0.78 0.00 -0.16 0.22 -2.23 0.00 0.00 178.31 176.92 3kzg h ASP 122 N 0.00 0.00 1.32 0.41 3.58 -1.99 -2.69 116.42 117.05 3kzg h ASP 122 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3kzg h ASP 122 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3kzg h ASP 122 CO -0.00 0.16 0.00 0.44 -2.88 0.00 0.00 179.24 176.96 3kzg h ASP 123 N 0.00 0.00 0.00 2.28 3.32 -1.10 -3.38 116.42 117.54 3kzg h ASP 123 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3kzg h ASP 123 Cb 0.60 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.16 3kzg h ASP 123 CO 0.02 0.00 2.95 0.18 -1.72 0.00 0.00 179.24 180.67 3kzg n LEU 124 N -2.62 6.01 -3.96 1.55 4.77 -1.02 -4.82 117.00 116.91 3kzg n LEU 124 Ca 0.03 -3.41 -0.17 0.00 -0.03 0.00 0.00 56.01 52.43 3kzg n LEU 124 Cb 0.38 -1.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 3kzg n LEU 124 CO 0.28 0.89 -0.41 -1.38 -1.33 0.00 0.00 177.39 175.44 3kzg s HIS 125 N 3.33 0.55 -1.38 -1.77 -3.43 -1.26 -4.81 115.29 106.52 3kzg s HIS 125 Ca 0.51 -0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.65 3kzg s HIS 125 Cb 0.13 -0.37 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 3kzg s HIS 125 CO -0.02 -0.02 0.16 0.41 -2.00 0.00 0.00 174.74 173.26 3kzg n GLY 126 N 3.03 -0.31 3.76 -1.38 0.00 -0.75 -4.99 105.19 104.55 3kzg n GLY 126 Ca -0.14 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.04 2.33 -0.35 1.61 -0.14 -1.26 -4.95 119.74 111.95 3kzg s LYS 127 Ca 0.08 -1.68 -0.15 0.00 -1.36 0.00 0.00 55.97 52.85 3kzg s LYS 127 Cb -0.03 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 3kzg s LYS 127 CO 0.10 -0.05 0.35 0.15 -0.76 0.00 0.00 175.35 175.13 3kzg s LYS 128 N -3.93 3.53 -0.27 1.68 1.02 -1.26 -1.29 119.74 119.22 3kzg s LYS 128 Ca 0.41 -0.47 -0.08 0.00 0.02 0.00 0.00 55.97 55.86 3kzg s LYS 128 Cb 0.00 -3.81 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 3kzg s LYS 128 CO 0.24 -0.53 0.09 0.42 -0.92 0.00 0.00 175.35 174.64 3kzg s ILE 129 N 1.99 4.36 0.19 2.17 -1.09 0.20 -0.77 121.20 128.24 3kzg s ILE 129 Ca 0.11 -0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 57.97 3kzg s ILE 129 Cb -0.17 -3.10 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 3kzg s ILE 129 CO 0.12 0.26 1.14 -0.83 -1.23 0.00 0.00 174.94 174.40 3kzg s GLY 130 N 1.61 2.80 -0.00 6.18 0.00 0.25 -1.10 107.32 117.05 3kzg s GLY 130 Ca 0.06 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.67 3kzg s GLY 130 CO 0.04 1.73 -0.03 0.14 0.00 0.00 0.00 173.10 174.99 3kzg s VAL 131 N -0.24 0.19 -0.19 1.40 1.01 -0.43 -1.93 120.40 120.21 3kzg s VAL 131 Ca 0.50 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 3kzg s VAL 131 Cb -0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3kzg s VAL 131 CO 0.36 0.03 1.33 -0.60 0.00 0.00 0.00 175.10 176.22 3kzg s ARG 132 N -0.13 4.13 0.19 2.72 3.52 -1.26 -0.94 118.95 127.18 3kzg s ARG 132 Ca 0.00 1.63 -0.33 0.00 -0.13 0.00 0.00 55.73 56.90 3kzg s ARG 132 Cb -0.01 -3.83 -0.14 0.00 -1.56 0.00 0.00 34.95 29.41 3kzg s ARG 132 CO -0.00 -0.85 1.53 1.17 -0.81 0.00 0.00 175.30 176.34 3kzg n LYS 133 N 6.88 2.16 0.00 5.12 4.81 0.28 -2.44 118.16 134.97 3kzg n LYS 133 Ca 0.15 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3kzg n LYS 133 Cb 0.45 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 3.00 3.03 3.91 3.14 0.00 -1.26 -3.90 105.19 113.12 3kzg n GLY 134 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.69 2.51 -2.15 2.61 -4.23 -1.02 -4.96 115.64 105.70 3kzg s THR 135 Ca 0.00 -0.07 0.22 0.00 -1.18 0.00 0.00 61.69 60.66 3kzg s THR 135 Cb 0.00 -3.11 0.54 0.00 1.34 0.00 0.00 72.50 71.27 3kzg s THR 135 CO 0.00 -0.13 1.71 -0.81 -0.54 0.00 0.00 174.62 174.84 3kzg n PRO 136 N -3.00 1.34 0.18 3.99 -0.04 -1.26 -4.14 135.00 132.07 3kzg n PRO 136 Ca 0.07 -0.51 0.03 0.00 -0.04 0.00 0.00 63.50 63.06 3kzg n PRO 136 Cb 0.60 -1.37 0.41 0.00 -0.04 0.00 0.00 33.50 33.10 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 1.07 0.06 -0.75 0.54 0.05 -1.93 -1.74 116.97 114.27 3kzg h TYR 137 Ca 0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3kzg h TYR 137 Cb 0.23 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 3kzg h TYR 137 CO 0.04 0.31 0.25 0.00 -1.05 0.00 0.00 178.16 177.71 3kzg h ALA 138 N 1.69 1.02 -0.43 3.88 0.00 -1.90 -0.53 119.26 122.99 3kzg h ALA 138 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3kzg h ALA 138 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kzg h ALA 138 CO 0.03 0.66 -0.12 -0.09 0.00 0.00 0.00 179.25 179.74 3kzg h ARG 139 N 1.11 0.78 -0.25 0.00 2.43 -1.67 -2.67 114.38 114.10 3kzg h ARG 139 Ca 0.24 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3kzg h ARG 139 Cb 0.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3kzg h ARG 139 CO -0.01 0.87 -0.04 0.37 -1.51 0.00 0.00 179.97 179.64 3kzg h GLN 140 N 0.71 0.48 -0.17 0.20 4.15 -0.82 -0.97 115.11 118.69 3kzg h GLN 140 Ca 0.12 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.39 3kzg h GLN 140 Cb 0.60 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 3kzg h GLN 140 CO 0.04 0.69 -0.03 0.28 -1.93 0.00 0.00 178.83 177.87 3kzg h VAL 141 N 0.23 0.84 -0.63 2.39 2.07 -1.01 -2.43 116.25 117.73 3kzg h VAL 141 Ca 0.07 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3kzg h VAL 141 Cb 0.50 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3kzg h VAL 141 CO 0.02 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 177.72 3kzg h LEU 142 N 0.01 0.90 -1.13 2.57 3.38 -1.44 -2.95 115.31 116.65 3kzg h LEU 142 Ca 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3kzg h LEU 142 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3kzg h LEU 142 CO -0.17 0.86 0.26 0.77 0.09 0.00 0.00 178.44 180.25 3kzg h SER 143 N 0.93 0.79 0.21 -0.43 4.64 -0.83 -1.98 113.55 116.88 3kzg h SER 143 Ca 0.20 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3kzg h SER 143 Cb 0.30 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3kzg h SER 143 CO -0.00 0.70 0.00 -0.62 -0.87 0.00 0.00 176.83 176.03 3kzg n GLU 144 N -4.33 0.02 -3.89 4.77 1.02 -0.94 -4.89 120.64 112.40 3kzg n GLU 144 Ca 0.05 0.34 -0.34 0.00 -0.02 0.00 0.00 57.16 57.20 3kzg n GLU 144 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 3kzg n GLU 144 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kzg n ASN 145 N -1.45 -3.38 -0.79 1.62 4.13 -0.75 -4.90 115.26 109.74 3kzg n ASN 145 Ca 0.02 -1.11 0.04 0.00 1.68 0.00 0.00 54.58 55.21 3kzg n ASN 145 Cb 0.08 -2.74 0.21 0.00 -1.54 0.00 0.00 39.78 35.79 3kzg n ASN 145 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3kzg n ARG 146 N -4.49 2.08 -3.51 3.52 1.74 -1.26 -4.95 116.66 109.79 3kzg n ARG 146 Ca -0.17 -2.95 -0.26 0.00 -0.77 0.00 0.00 57.85 53.70 3kzg n ARG 146 Cb 0.61 -1.75 0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3kzg n ARG 146 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kzg n ASN 147 N -0.97 -5.18 -4.91 0.55 5.15 -1.26 -1.80 115.26 106.83 3kzg n ASN 147 Ca 0.24 -0.52 -0.32 0.00 -0.60 0.00 0.00 54.58 53.38 3kzg n ASN 147 Cb 0.87 -4.17 -0.04 0.00 -0.53 0.00 0.00 39.78 35.92 3kzg n ASN 147 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3kzg s ASN 148 N -3.01 6.38 -0.19 1.20 0.01 -1.26 -3.01 114.94 115.06 3kzg s ASN 148 Ca 0.50 0.34 -0.07 0.00 -0.71 0.00 0.00 52.86 52.91 3kzg s ASN 148 Cb -0.24 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 3kzg s ASN 148 CO 0.62 0.17 0.06 -1.58 -1.51 0.00 0.00 177.10 174.86 3kzg s GLN 149 N -2.41 3.92 -0.03 -0.60 0.74 -0.41 -4.86 119.66 116.01 3kzg s GLN 149 Ca 0.34 -0.37 -0.27 0.00 0.05 0.00 0.00 55.36 55.12 3kzg s GLN 149 Cb -0.13 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 3kzg s GLN 149 CO 0.26 0.20 0.84 0.08 -0.55 0.00 0.00 175.29 176.12 3kzg s VAL 150 N 0.56 4.96 -0.26 1.34 1.01 -1.26 -0.63 120.40 126.12 3kzg s VAL 150 Ca 0.03 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.78 3kzg s VAL 150 Cb -0.13 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.12 3kzg s VAL 150 CO 0.01 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.59 3kzg s ILE 151 N 0.91 2.36 0.26 2.22 1.01 -0.26 -4.92 121.20 122.77 3kzg s ILE 151 Ca 0.45 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.32 3kzg s ILE 151 Cb -0.19 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.85 3kzg s ILE 151 CO 0.23 0.03 1.12 -0.36 0.00 0.00 0.00 174.94 175.96 3kzg s PHE 152 N 1.16 3.53 -0.07 3.97 0.08 -1.26 -1.32 117.98 124.08 3kzg s PHE 152 Ca -0.06 1.64 0.02 0.00 0.12 0.00 0.00 56.93 58.64 3kzg s PHE 152 Cb -0.19 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 38.95 3kzg s PHE 152 CO -0.05 -0.71 -0.11 0.71 -0.10 0.00 0.00 175.22 174.96 3kzg s TYR 153 N -0.93 1.36 0.10 0.36 2.02 -0.11 -4.90 117.35 115.25 3kzg s TYR 153 Ca 0.46 -0.51 -0.10 0.00 -0.37 0.00 0.00 57.07 56.56 3kzg s TYR 153 Cb -0.32 -1.03 -0.16 0.00 -0.40 0.00 0.00 41.96 40.05 3kzg s TYR 153 CO 0.41 -0.28 1.25 0.93 -1.57 0.00 0.00 175.55 176.28 3kzg h GLU 154 N 7.10 0.59 -6.39 -0.62 5.08 -1.93 0.82 114.58 119.22 3kzg h GLU 154 Ca -0.32 -0.61 -0.69 0.00 -1.00 0.00 0.00 59.36 56.74 3kzg h GLU 154 Cb 1.18 0.17 -0.25 0.00 0.50 0.00 0.00 28.75 30.35 3kzg h GLU 154 CO 0.47 1.23 -0.80 -0.51 -1.00 0.00 0.00 179.01 178.39 3kzg s LEU 155 N -7.98 2.56 0.19 1.33 1.02 -1.26 -4.58 118.68 109.95 3kzg s LEU 155 Ca -0.08 -0.27 -0.13 0.00 0.02 0.00 0.00 54.13 53.68 3kzg s LEU 155 Cb 0.08 -1.50 0.12 0.00 0.02 0.00 0.00 46.19 44.91 3kzg s LEU 155 CO 0.90 0.34 1.84 0.40 0.02 0.00 0.00 176.35 179.84 3kzg h ILE 156 N 4.39 1.10 -0.29 -0.59 1.08 -1.88 -2.85 117.51 118.47 3kzg h ILE 156 Ca -0.45 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 3kzg h ILE 156 Cb 1.14 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 3kzg h ILE 156 CO 0.49 0.14 -0.03 1.56 -0.69 0.00 0.00 178.15 179.62 3kzg h GLN 157 N 0.74 0.05 -1.99 2.37 7.50 -1.96 -0.88 115.11 120.94 3kzg h GLN 157 Ca 0.23 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.38 3kzg h GLN 157 Cb -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.50 3kzg h GLN 157 CO -0.08 0.03 0.00 -0.25 -1.50 0.00 0.00 178.83 177.03 3kzg n ASP 158 N -5.20 0.00 0.00 1.46 10.43 -1.08 -1.19 116.55 120.97 3kzg n ASP 158 Ca -0.00 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.28 3kzg n ASP 158 Cb 0.16 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.12 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 1.07 0.00 0.02 0.64 4.77 -0.34 -0.30 117.00 122.87 3kzg n LEU 160 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3kzg n LEU 160 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 3kzg n LEU 160 CO 0.00 0.00 0.69 -0.07 -1.33 0.00 0.00 177.39 176.68 3kzg h LEU 161 N 0.00 0.48 -2.49 2.23 3.38 -1.41 -2.86 115.31 114.64 3kzg h LEU 161 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kzg h LEU 161 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kzg h LEU 161 CO 0.00 0.76 0.00 1.23 0.09 0.00 0.00 178.44 180.52 3kzg h GLY 162 N 1.05 0.00 1.95 0.83 0.00 -0.91 -0.07 103.07 105.93 3kzg h GLY 162 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kzg h GLY 162 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.64 3kzg n LEU 163 N -2.82 0.00 0.00 3.11 4.32 -1.08 -1.56 117.00 118.97 3kzg n LEU 163 Ca -0.02 0.48 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 3kzg n LEU 163 Cb 0.06 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 3kzg n LEU 163 CO 0.17 -0.03 0.07 -1.20 -1.22 0.00 0.00 177.39 175.19 3kzg n SER 164 N -1.48 0.29 -1.37 -1.43 7.64 -0.08 -4.72 113.62 112.47 3kzg n SER 164 Ca 0.07 -0.62 -0.07 0.00 1.01 0.00 0.00 58.87 59.26 3kzg n SER 164 Cb 0.31 0.49 0.20 0.00 -1.01 0.00 0.00 64.21 64.20 3kzg n SER 164 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3kzg n ASN 165 N -0.49 2.81 -2.15 6.43 0.23 -0.92 -4.94 115.26 116.23 3kzg n ASN 165 Ca 0.00 -3.71 -0.21 0.00 -0.53 0.00 0.00 54.58 50.14 3kzg n ASN 165 Cb 0.02 -0.67 -0.03 0.00 -2.08 0.00 0.00 39.78 37.01 3kzg n ASN 165 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kzg n ASN 166 N -1.08 -5.80 -0.03 0.53 5.03 -1.26 -4.91 115.26 107.74 3kzg n ASN 166 Ca 0.38 0.15 -0.22 0.00 0.87 0.00 0.00 54.58 55.76 3kzg n ASN 166 Cb 1.16 -4.92 -0.13 0.00 -1.02 0.00 0.00 39.78 34.87 3kzg n ASN 166 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3kzg h GLN 167 N 0.00 0.17 -4.48 3.52 4.20 -1.79 -3.49 115.11 113.24 3kzg h GLN 167 Ca -0.48 -0.29 -0.22 0.00 0.06 0.00 0.00 58.65 57.73 3kzg h GLN 167 Cb 1.37 0.11 -0.18 0.00 0.30 0.00 0.00 27.48 29.08 3kzg h GLN 167 CO 0.60 1.14 -0.71 0.14 -0.67 0.00 0.00 178.83 179.33 3kzg s VAL 168 N -2.47 0.50 -0.21 -0.54 -7.23 -0.60 -4.94 120.40 104.90 3kzg s VAL 168 Ca -0.24 -1.52 0.18 0.00 -1.81 0.00 0.00 61.98 58.59 3kzg s VAL 168 Cb 0.06 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.91 3kzg s VAL 168 CO 0.71 -0.69 1.26 0.44 -0.31 0.00 0.00 175.10 176.50 3kzg h ASP 169 N 3.69 0.00 -5.73 4.85 3.32 -1.26 -3.40 116.42 117.89 3kzg h ASP 169 Ca -0.35 0.00 0.31 0.00 0.02 0.00 0.00 57.03 57.01 3kzg h ASP 169 Cb 1.18 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.63 3kzg h ASP 169 CO 0.54 0.35 0.80 0.00 -1.72 0.00 0.00 179.24 179.22 3kzg s ALA 170 N -3.06 -2.20 0.06 3.45 0.00 -1.19 -4.76 121.76 114.07 3kzg s ALA 170 Ca 0.02 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3kzg s ALA 170 Cb 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 3kzg s ALA 170 CO 0.76 -1.08 -0.06 -1.12 0.00 0.00 0.00 175.76 174.25 3kzg s SER 171 N -3.23 0.84 -0.10 0.00 0.01 0.13 -0.58 113.70 110.76 3kzg s SER 171 Ca 0.19 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.73 3kzg s SER 171 Cb 0.02 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 3kzg s SER 171 CO -0.02 -0.33 -0.13 -0.22 0.41 0.00 0.00 173.24 172.95 3kzg s LEU 172 N -2.14 2.73 0.21 2.44 2.96 -0.81 -0.67 118.68 123.39 3kzg s LEU 172 Ca -0.02 -0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 3kzg s LEU 172 Cb -0.04 -1.59 -0.08 0.00 0.50 0.00 0.00 46.19 44.98 3kzg s LEU 172 CO -0.02 0.23 1.19 -1.81 -1.32 0.00 0.00 176.35 174.61 3kzg s ASP 174 N -0.03 7.10 0.10 3.68 1.01 -1.26 -4.56 116.67 122.71 3kzg s ASP 174 Ca -0.03 2.26 -0.32 0.00 0.71 0.00 0.00 52.55 55.17 3kzg s ASP 174 Cb -0.14 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.05 3kzg s ASP 174 CO 0.04 -0.34 1.52 0.22 0.21 0.00 0.00 175.17 176.81 3kzg h TYR 175 N 4.94 -1.48 -0.66 4.23 3.20 -1.02 0.47 116.97 126.64 3kzg h TYR 175 Ca -0.45 0.05 0.15 0.00 3.14 0.00 0.00 58.73 61.61 3kzg h TYR 175 Cb 1.21 0.64 -0.04 0.00 1.54 0.00 0.00 36.73 40.09 3kzg h TYR 175 CO 0.61 -0.55 0.45 0.93 -1.64 0.00 0.00 178.16 177.97 3kzg h GLU 176 N -0.65 0.25 -0.08 1.82 4.39 -1.96 0.16 114.58 118.51 3kzg h GLU 176 Ca 0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3kzg h GLU 176 Cb 0.69 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3kzg h GLU 176 CO -0.33 0.17 -0.15 0.00 -1.16 0.00 0.00 179.01 177.55 3kzg h ALA 177 N 1.68 0.13 -0.77 3.43 0.00 -1.49 -0.45 119.26 121.79 3kzg h ALA 177 Ca 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kzg h ALA 177 Cb 0.89 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3kzg h ALA 177 CO -0.07 0.03 0.43 0.00 0.00 0.00 0.00 179.25 179.64 3kzg h ALA 178 N 0.51 0.98 -0.91 0.00 0.00 0.16 -1.32 119.26 118.69 3kzg h ALA 178 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kzg h ALA 178 Cb 0.72 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3kzg h ALA 178 CO 0.03 0.48 0.52 -0.22 0.00 0.00 0.00 179.25 180.06 3kzg h LYS 179 N 1.06 1.25 0.10 0.00 3.64 -0.72 -2.82 116.57 119.08 3kzg h LYS 179 Ca 0.27 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kzg h LYS 179 Cb 0.02 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3kzg h LYS 179 CO -0.05 0.90 -0.08 -0.92 -2.27 0.00 0.00 179.45 177.03 3kzg h TYR 180 N 1.26 -0.22 0.00 1.91 3.20 -0.02 -1.12 116.97 121.99 3kzg h TYR 180 Ca 0.32 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3kzg h TYR 180 Cb -0.01 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3kzg h TYR 180 CO 0.01 -0.13 0.00 0.91 -1.64 0.00 0.00 178.16 177.30 3kzg n TRP 181 N -5.20 0.00 0.00 -3.82 7.02 -0.63 -1.04 117.44 113.78 3kzg n TRP 181 Ca -0.08 -0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 3kzg n TRP 181 Cb 0.12 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 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 1.04 0.00 -1.73 6.99 0.00 -0.42 -4.63 120.51 121.76 3kzg n ALA 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kzg n ALA 183 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3kzg n ALA 183 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kzg n SER 184 N 0.00 0.00 -2.24 0.00 7.64 -0.20 -4.86 113.62 113.96 3kzg n SER 184 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kzg n SER 184 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kzg n SER 184 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3kzg n GLU 185 N 0.00 -1.19 0.00 1.43 4.07 -1.26 -4.77 120.64 118.91 3kzg n GLU 185 Ca 0.00 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 3kzg n GLU 185 Cb 0.00 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 3kzg n GLU 185 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3kzg n PRO 186 N 2.05 0.00 0.00 5.31 -0.02 -1.26 -4.44 135.00 136.64 3kzg n PRO 186 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3kzg n PRO 186 Cb 0.02 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 3kzg n PRO 186 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3kzg n TYR 187 N -0.75 0.00 -3.02 6.00 9.36 -1.26 -4.88 117.16 122.61 3kzg n TYR 187 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 3kzg n TYR 187 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 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 -1.99 -0.76 -0.53 2.98 0.00 -1.26 -5.07 121.76 115.12 3kzg s ALA 188 Ca 0.00 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 3kzg s ALA 188 Cb 0.00 -2.28 -0.21 0.00 0.00 0.00 0.00 23.12 20.63 3kzg s ALA 188 CO 0.00 -2.14 1.81 2.48 0.00 0.00 0.00 175.76 177.91 3kzg n TYR 189 N 2.98 1.23 0.00 0.00 4.11 -1.26 -2.62 117.16 121.59 3kzg n TYR 189 Ca 0.22 -1.40 0.00 0.00 -0.00 0.00 0.00 57.90 56.72 3kzg n TYR 189 Cb 0.53 -1.39 0.00 0.00 -0.00 0.00 0.00 39.34 38.48 3kzg n TYR 189 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3kzg n LYS 190 N 7.00 0.00 0.20 -3.48 2.85 -1.26 -4.61 118.16 118.87 3kzg n LYS 190 Ca 0.47 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.85 3kzg n LYS 190 Cb 0.37 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.94 3kzg n LYS 190 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3kzg h LEU 191 N 0.00 0.00 0.00 -5.58 3.38 -1.96 -3.37 115.31 107.78 3kzg h LEU 191 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kzg h LEU 191 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kzg h LEU 191 CO 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 178.44 177.88 3kzg n ILE 192 N -2.96 0.00 0.00 1.22 3.06 -1.25 -5.16 119.36 114.26 3kzg n ILE 192 Ca 0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 3kzg n ILE 192 Cb 0.52 -0.59 0.00 0.00 0.54 0.00 0.00 39.64 40.11 3kzg n ILE 192 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kzg n GLY 193 N 2.27 0.41 1.48 4.50 0.00 -1.26 -5.10 105.19 107.49 3kzg n GLY 193 Ca 0.00 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 3kzg n GLY 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kzg n LYS 194 N 0.00 1.05 0.00 1.61 5.02 -1.26 -4.03 118.16 120.55 3kzg n LYS 194 Ca 0.00 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 3kzg n LYS 194 Cb 0.00 0.66 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 3kzg n LYS 194 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kzg n LYS 195 N -0.45 0.00 -4.10 1.97 4.81 -1.26 -4.95 118.16 114.18 3kzg n LYS 195 Ca -0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.09 3kzg n LYS 195 Cb 0.27 -0.37 -0.07 0.00 0.02 0.00 0.00 35.03 34.88 3kzg n LYS 195 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kzg s TYR 196 N -1.00 3.07 0.02 5.64 2.02 -1.26 0.47 117.35 126.31 3kzg s TYR 196 Ca 0.00 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3kzg s TYR 196 Cb 0.00 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 3kzg s TYR 196 CO 0.00 0.50 -0.03 -1.59 -1.57 0.00 0.00 175.55 172.86 3kzg s LYS 197 N -2.37 0.36 0.10 -0.62 -2.85 0.66 -4.63 119.74 110.39 3kzg s LYS 197 Ca 0.27 -0.71 -0.15 0.00 -1.00 0.00 0.00 55.97 54.39 3kzg s LYS 197 Cb -0.12 0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.71 3kzg s LYS 197 CO 0.20 -0.06 0.51 -0.51 0.10 0.00 0.00 175.35 175.58 3kzg s LEU 198 N -1.70 4.40 -0.22 2.77 1.43 -1.26 -1.51 118.68 122.59 3kzg s LEU 198 Ca -0.12 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.01 3kzg s LEU 198 Cb -0.07 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3kzg s LEU 198 CO -0.02 0.18 -0.09 -0.63 0.23 0.00 0.00 176.35 176.01 3kzg s ILE 199 N -1.33 2.84 0.05 -0.59 -1.09 0.28 -4.95 121.20 116.42 3kzg s ILE 199 Ca 0.33 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 3kzg s ILE 199 Cb -0.16 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3kzg s ILE 199 CO 0.18 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3kzg n GLY 200 N 4.71 -1.49 3.93 6.18 0.00 -1.26 -3.89 105.19 113.37 3kzg n GLY 200 Ca -0.18 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 3kzg n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzg s LYS 201 N -1.36 2.94 0.61 1.61 1.02 -1.26 -4.87 119.74 118.43 3kzg s LYS 201 Ca 0.00 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 3kzg s LYS 201 Cb 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 3kzg s LYS 201 CO 0.00 -0.56 1.27 -1.59 -0.92 0.00 0.00 175.35 173.55 3kzg s LYS 202 N -4.83 2.80 -0.21 1.68 -2.85 -1.26 -4.79 119.74 110.28 3kzg s LYS 202 Ca 0.52 2.01 -0.03 0.00 -1.00 0.00 0.00 55.97 57.47 3kzg s LYS 202 Cb -0.10 -1.94 -0.00 0.00 -2.06 0.00 0.00 37.83 33.72 3kzg s LYS 202 CO 0.42 -1.39 -0.08 0.42 0.10 0.00 0.00 175.35 174.82 3kzg s ILE 203 N -1.45 3.06 0.21 3.79 1.01 0.62 -4.92 121.20 123.52 3kzg s ILE 203 Ca 0.79 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 3kzg s ILE 203 Cb -0.35 -2.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.64 3kzg s ILE 203 CO 0.38 0.45 1.54 -0.55 0.00 0.00 0.00 174.94 176.77 3kzg s SER 204 N 1.38 6.56 -0.16 3.58 0.15 -1.26 0.08 113.70 124.03 3kzg s SER 204 Ca 0.05 2.70 -0.11 0.00 0.70 0.00 0.00 55.95 59.29 3kzg s SER 204 Cb -0.14 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 3kzg s SER 204 CO -0.05 -0.81 0.40 -0.51 1.20 0.00 0.00 173.24 173.47 3kzg s ILE 205 N 0.63 -0.02 0.07 6.45 1.10 -1.11 -4.87 121.20 123.46 3kzg s ILE 205 Ca 0.66 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.86 3kzg s ILE 205 Cb -0.44 -0.58 0.00 0.00 0.15 0.00 0.00 42.46 41.59 3kzg s ILE 205 CO 0.37 0.02 0.00 0.61 -2.11 0.00 0.00 174.94 173.84 3kzg n GLY 206 N 3.66 -1.58 1.78 1.50 0.00 -1.26 -4.44 105.19 104.85 3kzg n GLY 206 Ca -0.19 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.84 2.81 0.00 1.61 1.02 0.19 -4.83 120.64 119.60 3kzg n GLU 207 Ca 0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 3kzg n GLU 207 Cb 0.14 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 -0.89 2.61 3.75 0.62 0.00 -1.26 -4.73 105.19 105.28 3kzg n GLY 208 Ca 0.44 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.80 3.86 0.21 1.61 2.02 -1.26 -0.78 117.35 120.20 3kzg s TYR 209 Ca 0.00 1.71 -0.09 0.00 -0.37 0.00 0.00 57.07 58.32 3kzg s TYR 209 Cb 0.00 -2.91 -0.01 0.00 -0.40 0.00 0.00 41.96 38.64 3kzg s TYR 209 CO 0.00 0.36 0.34 0.45 -1.57 0.00 0.00 175.55 175.14 3kzg s SER 210 N -0.59 -0.00 0.80 2.29 0.15 -1.26 -0.65 113.70 114.44 3kzg s SER 210 Ca 0.41 -1.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.02 3kzg s SER 210 Cb -0.23 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 64.73 3kzg s SER 210 CO 0.28 -1.00 1.10 -0.63 1.20 0.00 0.00 173.24 174.19 3kzg s ILE 211 N -4.03 2.03 0.00 6.45 1.01 -1.26 -4.68 121.20 120.72 3kzg s ILE 211 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3kzg s ILE 211 Cb 0.02 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3kzg s ILE 211 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.00 3kzg n ALA 213 N -3.11 0.00 -1.84 9.38 0.00 -0.67 -0.92 120.51 123.35 3kzg n ALA 213 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 3kzg n ALA 213 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 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 6.79 0.40 0.00 0.02 -1.26 -1.40 114.94 119.48 3kzg s ASN 214 Ca 0.00 1.62 0.18 0.00 -1.02 0.00 0.00 52.86 53.64 3kzg s ASN 214 Cb 0.00 -2.52 1.10 0.00 0.02 0.00 0.00 41.25 39.85 3kzg s ASN 214 CO 0.00 -0.46 1.77 -0.65 0.02 0.00 0.00 177.10 177.78 3kzg h PRO 215 N 1.47 0.39 0.00 -0.60 0.11 -1.89 0.10 132.00 131.57 3kzg h PRO 215 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kzg h PRO 215 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kzg h PRO 215 CO 0.61 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3kzg n ASP 216 N -4.63 0.00 -2.17 -2.05 5.68 -1.26 -3.43 116.55 108.68 3kzg n ASP 216 Ca 0.25 -1.16 -0.21 0.00 -0.50 0.00 0.00 54.79 53.17 3kzg n ASP 216 Cb 0.88 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 41.06 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 -0.85 2.49 0.25 0.11 6.02 0.02 -4.60 117.38 120.82 3kzg n GLN 217 Ca 0.15 -3.03 0.07 0.00 -0.01 0.00 0.00 57.00 54.19 3kzg n GLN 217 Cb 0.07 -2.18 0.60 0.00 1.02 0.00 0.00 30.24 29.75 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 0.00 -0.23 1.08 -5.15 -1.76 -2.14 116.94 110.02 3kzg h PHE 218 Ca 0.57 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.31 3kzg h PHE 218 Cb 2.77 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.93 3kzg h PHE 218 CO 1.54 0.08 0.01 0.28 -2.00 0.00 0.00 178.31 178.22 3kzg h VAL 219 N 0.00 1.25 -0.76 0.88 2.07 -1.92 -1.65 116.25 116.11 3kzg h VAL 219 Ca -0.00 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3kzg h VAL 219 Cb 0.14 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3kzg h VAL 219 CO 0.01 0.27 0.31 0.25 0.02 0.00 0.00 177.57 178.42 3kzg h LEU 220 N 0.18 1.06 -0.79 2.57 5.85 -1.82 -2.59 115.31 119.76 3kzg h LEU 220 Ca 0.07 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3kzg h LEU 220 Cb 0.39 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3kzg h LEU 220 CO 0.01 0.94 0.28 0.40 -0.34 0.00 0.00 178.44 179.73 3kzg h ILE 221 N 1.11 1.26 -0.49 4.05 1.08 -1.28 -1.75 117.51 121.49 3kzg h ILE 221 Ca 0.25 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 63.80 3kzg h ILE 221 Cb 0.21 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 3kzg h ILE 221 CO -0.02 0.35 0.05 0.11 -0.69 0.00 0.00 178.15 177.95 3kzg h LYS 222 N 1.15 0.79 -0.56 2.37 1.57 -1.06 -0.13 116.57 120.69 3kzg h LYS 222 Ca 0.26 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kzg h LYS 222 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3kzg h LYS 222 CO -0.02 0.76 0.18 0.87 -0.57 0.00 0.00 179.45 180.68 3kzg h LYS 223 N 0.74 0.87 -0.75 3.15 1.57 -1.08 -2.53 116.57 118.54 3kzg h LYS 223 Ca 0.15 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3kzg h LYS 223 Cb 0.38 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3kzg h LYS 223 CO 0.01 0.78 0.29 0.82 -0.57 0.00 0.00 179.45 180.78 3kzg h ILE 224 N 0.78 1.25 -0.57 1.86 2.04 -0.83 -2.51 117.51 119.54 3kzg h ILE 224 Ca 0.18 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3kzg h ILE 224 Cb 0.27 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3kzg h ILE 224 CO -0.01 0.33 0.20 0.78 0.00 0.00 0.00 178.15 179.45 3kzg h ASN 225 N 1.10 0.78 -0.03 1.72 2.35 -0.73 -0.90 115.58 119.86 3kzg h ASN 225 Ca 0.25 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 3kzg h ASN 225 Cb 0.23 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3kzg h ASN 225 CO -0.02 0.72 -0.38 0.11 -1.65 0.00 0.00 177.43 176.21 3kzg h LYS 226 N 0.83 0.54 -0.33 0.81 1.57 -1.18 -2.05 116.57 116.76 3kzg h LYS 226 Ca 0.19 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3kzg h LYS 226 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kzg h LYS 226 CO -0.01 0.83 -0.33 0.82 -0.57 0.00 0.00 179.45 180.19 3kzg h ILE 227 N 0.45 1.28 -0.49 1.86 1.08 -0.98 -1.15 117.51 119.56 3kzg h ILE 227 Ca 0.04 -1.48 -0.02 0.00 -0.39 0.00 0.00 64.86 63.01 3kzg h ILE 227 Cb 0.86 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 3kzg h ILE 227 CO 0.07 0.48 0.22 -0.07 -0.69 0.00 0.00 178.15 178.16 3kzg h LEU 228 N 0.61 0.66 -0.87 1.44 3.38 -0.97 -2.57 115.31 116.98 3kzg h LEU 228 Ca 0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3kzg h LEU 228 Cb 0.85 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3kzg h LEU 228 CO 0.07 0.63 0.35 -0.07 0.09 0.00 0.00 178.44 179.51 3kzg h LEU 229 N 0.66 1.07 -2.14 1.67 3.38 -1.16 -1.23 115.31 117.56 3kzg h LEU 229 Ca 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kzg h LEU 229 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kzg h LEU 229 CO -0.02 0.93 0.00 -0.62 0.09 0.00 0.00 178.44 178.82 3kzg n GLU 230 N -4.29 0.43 0.00 1.13 1.02 -0.45 -1.14 120.64 117.33 3kzg n GLU 230 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3kzg n GLU 230 Cb 0.17 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.88 0.00 0.06 3.49 1.02 -0.46 -1.80 120.64 123.83 3kzg n GLU 232 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3kzg n GLU 232 Cb 0.21 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.69 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 0.66 -0.43 0.62 0.00 -1.39 -3.30 119.26 115.41 3kzg h ALA 233 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3kzg h ALA 233 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kzg h ALA 233 CO 0.00 0.77 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 3kzg n ASP 234 N -3.82 3.33 0.00 0.00 5.68 -0.74 -4.96 116.55 116.03 3kzg n ASP 234 Ca -0.04 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3kzg n ASP 234 Cb 0.69 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 1.49 1.45 0.33 6.12 0.00 -1.24 -4.94 105.19 108.40 3kzg n GLY 235 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 1.23 -0.04 2.61 2.02 -1.89 -1.97 112.91 114.87 3kzg h THR 236 Ca 0.00 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3kzg h THR 236 Cb 0.00 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3kzg h THR 236 CO 0.00 0.23 0.00 0.22 0.37 0.00 0.00 175.52 176.34 3kzg h TYR 237 N 1.17 0.08 -0.70 3.16 5.03 -1.92 -2.23 116.97 121.57 3kzg h TYR 237 Ca 0.31 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.67 3kzg h TYR 237 Cb -0.09 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.11 3kzg h TYR 237 CO -0.01 0.34 0.40 1.25 -1.32 0.00 0.00 178.16 178.82 3kzg h LEU 238 N -0.20 0.60 -0.27 2.82 5.85 -1.87 0.78 115.31 123.03 3kzg h LEU 238 Ca 0.01 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kzg h LEU 238 Cb 0.30 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3kzg h LEU 238 CO 0.00 0.39 0.16 -0.09 -0.34 0.00 0.00 178.44 178.56 3kzg h ARG 239 N 0.74 0.32 -0.33 1.25 2.43 -1.28 0.66 114.38 118.17 3kzg h ARG 239 Ca 0.31 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3kzg h ARG 239 Cb 0.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3kzg h ARG 239 CO -0.18 0.21 0.08 1.25 -1.51 0.00 0.00 179.97 179.83 3kzg h LEU 240 N 0.33 0.50 -0.30 3.80 5.85 -0.92 -1.93 115.31 122.64 3kzg h LEU 240 Ca 0.10 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kzg h LEU 240 Cb -0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3kzg h LEU 240 CO -0.04 0.60 0.18 0.22 -0.34 0.00 0.00 178.44 179.06 3kzg h TYR 241 N 0.38 0.33 -0.72 1.25 3.20 -0.60 -2.58 116.97 118.22 3kzg h TYR 241 Ca 0.10 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kzg h TYR 241 Cb 0.29 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3kzg h TYR 241 CO 0.01 0.20 0.32 0.77 -1.64 0.00 0.00 178.16 177.82 3kzg h SER 242 N 0.36 0.96 -0.14 -2.11 0.02 -0.81 0.17 113.55 111.99 3kzg h SER 242 Ca 0.12 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3kzg h SER 242 Cb -0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3kzg h SER 242 CO -0.05 0.83 0.10 -0.08 -1.14 0.00 0.00 176.83 176.49 3kzg h GLU 243 N 1.04 0.06 0.00 3.45 4.81 -0.95 -3.21 114.58 119.78 3kzg h GLU 243 Ca 0.25 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.18 3kzg h GLU 243 Cb 0.15 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 3kzg h GLU 243 CO -0.03 0.04 -2.11 0.66 -0.73 0.00 0.00 179.01 176.85 3kzg n TYR 244 N -4.51 0.00 -0.01 0.92 4.01 -0.99 -5.11 117.16 111.47 3kzg n TYR 244 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kzg n TYR 244 Cb 0.18 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 3kzg n TYR 244 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59