#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzg n LEU 19 N 0.00 -1.89 -3.85 -3.43 -0.00 -1.26 -5.13 117.00 101.44 3kzg n LEU 19 Ca 0.00 -2.79 -0.20 0.00 -0.00 0.00 0.00 56.01 53.02 3kzg n LEU 19 Cb 0.00 0.91 -0.17 0.00 -0.00 0.00 0.00 43.42 44.16 3kzg n LEU 19 CO 0.00 1.84 -0.40 0.21 -0.00 0.00 0.00 177.39 179.05 3kzg s ASN 20 N -0.83 1.03 0.10 1.45 3.04 -1.26 -1.77 114.94 116.70 3kzg s ASN 20 Ca 0.23 -0.10 0.05 0.00 0.04 0.00 0.00 52.86 53.07 3kzg s ASN 20 Cb 0.28 -0.41 -0.04 0.00 -1.54 0.00 0.00 41.25 39.54 3kzg s ASN 20 CO -0.13 -0.10 0.03 -0.76 -3.04 0.00 0.00 177.10 173.10 3kzg s LEU 21 N 1.20 3.56 -0.27 3.21 1.43 -0.62 -4.95 118.68 122.24 3kzg s LEU 21 Ca -0.07 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3kzg s LEU 21 Cb -0.14 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 43.87 3kzg s LEU 21 CO -0.02 0.16 -0.06 -0.89 0.23 0.00 0.00 176.35 175.77 3kzg s THR 22 N -1.39 2.64 -0.17 5.49 2.01 -1.26 -1.94 115.64 121.03 3kzg s THR 22 Ca 0.27 -1.35 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 3kzg s THR 22 Cb -0.12 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3kzg s THR 22 CO 0.20 0.03 0.00 -0.63 -0.69 0.00 0.00 174.62 173.53 3kzg s ILE 23 N 1.22 4.21 0.01 1.82 1.09 0.45 0.12 121.20 130.13 3kzg s ILE 23 Ca -0.05 -0.24 -0.17 0.00 -1.10 0.00 0.00 60.65 59.10 3kzg s ILE 23 Cb -0.19 -2.87 -0.06 0.00 -1.06 0.00 0.00 42.46 38.28 3kzg s ILE 23 CO -0.04 0.48 0.48 -0.83 -0.10 0.00 0.00 174.94 174.93 3kzg s GLY 24 N 0.41 2.54 0.06 6.18 0.00 -0.08 0.40 107.32 116.84 3kzg s GLY 24 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.54 3kzg s GLY 24 CO 0.02 0.35 0.09 -1.08 0.00 0.00 0.00 173.10 172.48 3kzg s THR 25 N -0.84 0.17 1.00 0.90 -1.32 -0.37 -1.99 115.64 113.19 3kzg s THR 25 Ca 0.26 -1.37 -0.13 0.00 -1.21 0.00 0.00 61.69 59.24 3kzg s THR 25 Cb -0.17 -1.28 0.19 0.00 -1.51 0.00 0.00 72.50 69.73 3kzg s THR 25 CO 0.15 -0.76 1.10 -0.94 -2.21 0.00 0.00 174.62 171.96 3kzg s SER 26 N -2.68 2.59 0.04 8.08 1.04 -1.26 -1.25 113.70 120.26 3kzg s SER 26 Ca 0.03 1.12 0.12 0.00 0.48 0.00 0.00 55.95 57.69 3kzg s SER 26 Cb 0.04 -1.76 -0.19 0.00 0.10 0.00 0.00 66.02 64.21 3kzg s SER 26 CO -0.09 -3.14 0.90 0.11 0.98 0.00 0.00 173.24 171.99 3kzg h LYS 27 N -1.90 0.00 -1.18 4.02 1.57 -1.65 -3.42 116.57 114.01 3kzg h LYS 27 Ca -0.54 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3kzg h LYS 27 Cb 1.33 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.42 3kzg h LYS 27 CO 0.58 0.59 -0.33 0.12 -0.57 0.00 0.00 179.45 179.84 3kzg s PHE 28 N -2.70 -1.48 -0.40 -1.35 5.36 -1.26 -0.13 117.98 116.02 3kzg s PHE 28 Ca -0.02 1.46 0.05 0.00 -0.96 0.00 0.00 56.93 57.46 3kzg s PHE 28 Cb 0.09 0.43 0.32 0.00 -0.34 0.00 0.00 43.02 43.51 3kzg s PHE 28 CO 0.82 -0.88 1.25 -1.71 -1.46 0.00 0.00 175.22 173.24 3kzg n ASN 29 N 5.42 -1.81 -4.59 6.13 5.15 -0.27 -4.49 115.26 120.79 3kzg n ASN 29 Ca -0.01 -2.80 -0.37 0.00 -0.60 0.00 0.00 54.58 50.81 3kzg n ASN 29 Cb 0.51 1.53 0.07 0.00 -0.53 0.00 0.00 39.78 41.36 3kzg n ASN 29 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kzg n PRO 30 N 0.31 0.64 -0.23 1.20 -0.04 -1.20 -1.91 135.00 133.77 3kzg n PRO 30 Ca -0.01 0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 3kzg n PRO 30 Cb 0.73 -2.12 0.15 0.00 -0.04 0.00 0.00 33.50 32.21 3kzg n PRO 30 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3kzg n PRO 31 N -1.28 2.01 -0.04 0.54 -0.04 -1.26 -4.41 135.00 130.51 3kzg n PRO 31 Ca 0.13 -1.18 -0.14 0.00 -0.04 0.00 0.00 63.50 62.27 3kzg n PRO 31 Cb 0.49 -1.42 -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 1.78 0.02 -1.80 0.54 0.04 -1.72 0.18 116.94 115.97 3kzg h PHE 32 Ca 0.00 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3kzg h PHE 32 Cb 0.63 -0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.57 3kzg h PHE 32 CO 0.29 0.74 0.41 -1.83 -0.60 0.00 0.00 178.31 177.31 3kzg s GLU 33 N -3.32 0.79 -0.10 1.51 1.03 -1.22 -1.02 118.70 116.37 3kzg s GLU 33 Ca -0.17 0.14 -0.05 0.00 0.03 0.00 0.00 54.97 54.92 3kzg s GLU 33 Cb -0.00 0.37 0.05 0.00 -0.80 0.00 0.00 34.13 33.75 3kzg s GLU 33 CO 0.69 -0.26 0.23 0.14 -1.33 0.00 0.00 175.26 174.73 3kzg s VAL 34 N -1.34 -0.13 -0.22 1.83 -7.23 -0.81 -1.12 120.40 111.39 3kzg s VAL 34 Ca -0.05 0.19 -0.11 0.00 -1.81 0.00 0.00 61.98 60.20 3kzg s VAL 34 Cb -0.00 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 3kzg s VAL 34 CO 0.04 0.08 0.18 0.86 -0.31 0.00 0.00 175.10 175.95 3kzg s TRP 35 N 1.53 3.37 -0.26 2.82 -0.00 0.82 -3.34 118.94 123.88 3kzg s TRP 35 Ca -0.07 0.33 0.09 0.00 -0.00 0.00 0.00 56.10 56.46 3kzg s TRP 35 Cb -0.11 -2.26 0.46 0.00 -0.00 0.00 0.00 33.47 31.56 3kzg s TRP 35 CO -0.08 0.15 1.34 0.43 -0.00 0.00 0.00 176.95 178.79 3kzg n SER 36 N 3.97 2.33 0.00 5.86 7.64 -1.26 -4.91 113.62 127.24 3kzg n SER 36 Ca -0.14 -3.85 0.00 0.00 1.01 0.00 0.00 58.87 55.88 3kzg n SER 36 Cb 0.52 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.09 2.87 0.25 0.23 0.00 -1.26 -4.68 105.19 101.50 3kzg n GLY 37 Ca 0.28 -1.82 0.16 0.00 0.00 0.00 0.00 46.02 44.64 3kzg n GLY 37 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kzg h ASN 38 N 0.00 0.00 -0.55 1.61 2.35 -1.99 -2.90 115.58 114.10 3kzg h ASN 38 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kzg h ASN 38 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kzg h ASN 38 CO 0.00 0.00 0.00 -3.20 -1.65 0.00 0.00 177.43 172.58 3kzg n ASN 39 N -2.86 4.94 -3.93 5.81 4.05 -1.26 -4.90 115.26 117.11 3kzg n ASN 39 Ca 0.01 -2.67 -0.11 0.00 0.45 0.00 0.00 54.58 52.25 3kzg n ASN 39 Cb 0.26 -0.63 -0.13 0.00 1.23 0.00 0.00 39.78 40.51 3kzg n ASN 39 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 3kzg s SER 40 N -0.76 0.20 0.77 1.20 0.01 -1.10 -5.15 113.70 108.88 3kzg s SER 40 Ca 0.48 -0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.38 3kzg s SER 40 Cb 0.35 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.68 3kzg s SER 40 CO 0.17 -0.13 1.13 -0.94 0.41 0.00 0.00 173.24 173.88 3kzg s SER 41 N -0.70 4.22 0.47 2.44 1.04 -1.26 -4.72 113.70 115.20 3kzg s SER 41 Ca -0.07 2.04 0.05 0.00 0.48 0.00 0.00 55.95 58.45 3kzg s SER 41 Cb -0.05 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.54 3kzg s SER 41 CO -0.00 -2.23 0.65 -0.76 0.98 0.00 0.00 173.24 171.88 3kzg s LEU 42 N -5.70 3.52 0.03 2.42 1.02 -1.26 -4.65 118.68 114.05 3kzg s LEU 42 Ca 0.66 -0.22 -0.13 0.00 0.02 0.00 0.00 54.13 54.46 3kzg s LEU 42 Cb -0.21 -2.77 0.02 0.00 0.02 0.00 0.00 46.19 43.25 3kzg s LEU 42 CO 0.51 -0.90 0.29 -0.72 0.02 0.00 0.00 176.35 175.55 3kzg s TYR 43 N -2.52 -0.10 0.00 0.29 -0.85 -1.21 -5.01 117.35 107.96 3kzg s TYR 43 Ca 0.55 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 57.09 3kzg s TYR 43 Cb -0.10 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.32 3kzg s TYR 43 CO 0.35 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 174.32 3kzg n GLY 44 N 0.72 3.02 0.17 5.49 0.00 -1.26 -1.93 105.19 111.40 3kzg n GLY 44 Ca -0.19 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 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 0.42 -0.82 1.61 3.57 -0.22 -2.31 116.94 119.19 3kzg h PHE 45 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kzg h PHE 45 Cb 0.00 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3kzg h PHE 45 CO 0.00 0.24 0.52 -0.44 -2.23 0.00 0.00 178.31 176.40 3kzg h ASP 46 N 0.45 0.96 0.19 0.41 3.32 -1.32 -0.82 116.42 119.62 3kzg h ASP 46 Ca 0.16 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3kzg h ASP 46 Cb 0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3kzg h ASP 46 CO -0.09 0.71 -0.09 0.40 -1.72 0.00 0.00 179.24 178.45 3kzg h ILE 47 N 1.12 0.87 -0.80 0.35 1.08 -1.54 -3.06 117.51 115.53 3kzg h ILE 47 Ca 0.30 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 3kzg h ILE 47 Cb -0.10 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 3kzg h ILE 47 CO -0.06 0.06 0.40 0.44 -0.69 0.00 0.00 178.15 178.30 3kzg h ASP 48 N -0.37 1.02 0.00 1.72 3.32 -1.16 -0.46 116.42 120.49 3kzg h ASP 48 Ca -0.03 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kzg h ASP 48 Cb 0.29 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3kzg h ASP 48 CO 0.04 0.85 0.00 -0.11 -1.72 0.00 0.00 179.24 178.30 3kzg n LEU 49 N -4.32 0.12 0.00 1.55 7.94 -0.34 -1.89 117.00 120.05 3kzg n LEU 49 Ca 0.08 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3kzg n LEU 49 Cb 0.13 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.02 3kzg n LEU 49 CO 0.39 0.03 0.00 1.67 -1.11 0.00 0.00 177.39 178.37 3kzg n GLN 51 N -0.00 0.00 -0.23 1.96 -0.06 -0.18 -1.33 117.38 117.53 3kzg n GLN 51 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 3kzg n GLN 51 Cb 0.03 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.24 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 1.06 -0.82 3.69 4.57 -1.63 -2.79 114.58 118.66 3kzg h GLU 52 Ca 0.00 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3kzg h GLU 52 Cb 0.00 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 3kzg h GLU 52 CO 0.00 0.97 0.45 0.82 -1.18 0.00 0.00 179.01 180.07 3kzg h ILE 53 N 0.98 1.24 -0.56 2.32 2.04 -1.48 -2.68 117.51 119.37 3kzg h ILE 53 Ca 0.20 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 3kzg h ILE 53 Cb 0.40 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3kzg h ILE 53 CO 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 178.15 178.41 3kzg h ARG 55 N 0.89 0.28 0.00 0.00 0.11 -1.24 0.86 114.38 115.29 3kzg h ARG 55 Ca 0.16 -0.10 -0.07 0.00 0.10 0.00 0.00 59.98 60.07 3kzg h ARG 55 Cb 0.54 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 3kzg h ARG 55 CO 0.03 0.54 -0.35 0.00 0.10 0.00 0.00 179.97 180.29 3kzg h ARG 56 N 0.25 0.00 -0.00 0.08 3.08 -1.21 -1.28 114.38 115.30 3kzg h ARG 56 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kzg h ARG 56 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3kzg h ARG 56 CO 0.04 0.35 -0.13 1.28 -1.07 0.00 0.00 179.97 180.45 3kzg n LEU 57 N -3.46 0.51 -1.94 3.04 4.77 -0.53 -4.90 117.00 114.48 3kzg n LEU 57 Ca 0.00 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 3kzg n LEU 57 Cb 0.51 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3kzg n LEU 57 CO 0.36 0.09 -0.18 1.41 -1.33 0.00 0.00 177.39 177.75 3kzg n HIS 58 N -0.95 -0.88 -4.96 -1.77 8.25 -0.31 -5.00 115.22 109.60 3kzg n HIS 58 Ca 0.14 0.06 -0.26 0.00 -0.26 0.00 0.00 57.72 57.39 3kzg n HIS 58 Cb 0.29 -3.39 -0.16 0.00 1.12 0.00 0.00 29.99 27.85 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 -2.85 1.63 0.56 -1.41 0.00 0.15 -4.92 121.76 114.93 3kzg s ALA 59 Ca 0.03 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 3kzg s ALA 59 Cb -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3kzg s ALA 59 CO 0.04 0.40 1.13 0.95 0.00 0.00 0.00 175.76 178.28 3kzg s THR 60 N -0.45 3.16 -0.13 0.00 -4.23 -0.73 -3.93 115.64 109.33 3kzg s THR 60 Ca 0.07 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 3kzg s THR 60 Cb -0.08 -3.26 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 3kzg s THR 60 CO -0.01 -0.19 -0.17 0.00 -0.54 0.00 0.00 174.62 173.72 3kzg s THR 62 N 0.52 0.91 0.11 0.00 -4.23 -0.82 -5.01 115.64 107.13 3kzg s THR 62 Ca -0.11 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.05 3kzg s THR 62 Cb -0.16 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 3kzg s THR 62 CO 0.04 0.31 0.31 -0.36 -0.54 0.00 0.00 174.62 174.39 3kzg s PHE 63 N 0.91 3.49 -0.17 3.99 0.08 -1.26 -0.41 117.98 124.62 3kzg s PHE 63 Ca -0.11 0.42 -0.03 0.00 0.12 0.00 0.00 56.93 57.33 3kzg s PHE 63 Cb -0.15 -1.90 0.06 0.00 -0.57 0.00 0.00 43.02 40.46 3kzg s PHE 63 CO 0.01 0.49 0.05 -2.00 -0.10 0.00 0.00 175.22 173.67 3kzg s GLU 64 N -2.64 0.43 -0.04 0.44 2.12 0.16 -4.88 118.70 114.29 3kzg s GLU 64 Ca 0.38 -0.23 -0.24 0.00 0.36 0.00 0.00 54.97 55.24 3kzg s GLU 64 Cb -0.12 -1.86 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 3kzg s GLU 64 CO 0.26 -0.61 0.74 0.00 -0.54 0.00 0.00 175.26 175.11 3kzg s ALA 65 N 1.97 3.33 0.24 6.30 0.00 -1.25 -1.23 121.76 131.12 3kzg s ALA 65 Ca 0.01 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.21 3kzg s ALA 65 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 3kzg s ALA 65 CO -0.08 -0.08 -0.01 0.71 0.00 0.00 0.00 175.76 176.30 3kzg s TYR 66 N 0.65 1.64 0.15 0.00 2.02 -0.38 -4.87 117.35 116.56 3kzg s TYR 66 Ca 0.39 -0.89 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 3kzg s TYR 66 Cb -0.19 -0.96 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 3kzg s TYR 66 CO 0.20 0.01 1.22 0.42 -1.57 0.00 0.00 175.55 175.83 3kzg s ILE 67 N -3.35 3.64 0.08 2.71 1.01 -1.26 -1.67 121.20 122.35 3kzg s ILE 67 Ca 0.29 1.31 -0.14 0.00 0.00 0.00 0.00 60.65 62.11 3kzg s ILE 67 Cb 0.06 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3kzg s ILE 67 CO 0.10 0.17 0.72 0.33 0.00 0.00 0.00 174.94 176.26 3kzg n PHE 68 N 2.98 -0.18 0.27 3.97 7.35 -1.26 0.28 117.46 130.86 3kzg n PHE 68 Ca 0.06 0.58 0.16 0.00 -0.76 0.00 0.00 57.45 57.50 3kzg n PHE 68 Cb 0.45 -0.55 0.90 0.00 0.35 0.00 0.00 39.48 40.63 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 1.11 -2.13 -0.00 -1.84 -1.58 116.42 111.99 3kzg h ASP 69 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3kzg h ASP 69 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 3kzg h ASP 69 CO -0.44 0.00 -0.02 0.47 -0.00 0.00 0.00 179.24 179.25 3kzg n ASP 70 N -3.78 0.24 -0.31 2.28 8.00 0.14 -3.84 116.55 119.28 3kzg n ASP 70 Ca -0.01 0.50 -0.00 0.00 0.71 0.00 0.00 54.79 55.98 3kzg n ASP 70 Cb 0.17 -0.55 0.17 0.00 -0.02 0.00 0.00 41.12 40.89 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 1.03 0.34 0.64 3.38 -1.29 -2.03 115.31 117.38 3kzg h LEU 71 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kzg h LEU 71 Cb 0.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kzg h LEU 71 CO 0.00 0.73 -0.17 -0.26 0.09 0.00 0.00 178.44 178.83 3kzg h PHE 72 N 1.21 -0.44 -0.25 1.13 0.04 -1.76 -1.33 116.94 115.53 3kzg h PHE 72 Ca 0.34 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 61.00 3kzg h PHE 72 Cb -0.10 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3kzg h PHE 72 CO -0.00 -0.27 -0.27 -1.00 -0.60 0.00 0.00 178.31 176.17 3kzg h PRO 73 N -0.47 0.49 -0.96 1.51 0.13 -1.77 -2.16 132.00 128.77 3kzg h PRO 73 Ca -0.05 -0.19 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 3kzg h PRO 73 Cb 0.36 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.41 3kzg h PRO 73 CO 0.07 0.72 0.63 0.00 -0.23 0.00 0.00 178.00 179.19 3kzg h ALA 74 N 1.28 1.28 -0.14 -0.56 0.00 -1.19 0.02 119.26 119.95 3kzg h ALA 74 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3kzg h ALA 74 Cb 0.70 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kzg h ALA 74 CO 0.05 0.50 -0.32 1.25 0.00 0.00 0.00 179.25 180.73 3kzg h LEU 75 N 1.21 0.53 -1.83 0.00 5.85 -1.04 -0.80 115.31 119.23 3kzg h LEU 75 Ca 0.39 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3kzg h LEU 75 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3kzg h LEU 75 CO -0.13 1.00 0.03 0.50 -0.34 0.00 0.00 178.44 179.50 3kzg h LYS 76 N 0.08 0.13 -0.21 1.25 3.64 -0.94 -0.99 116.57 119.53 3kzg h LYS 76 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kzg h LYS 76 Cb 0.92 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3kzg h LYS 76 CO 0.07 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.46 3kzg n ASN 77 N -4.48 1.63 -1.95 4.20 3.02 -0.05 -4.92 115.26 112.71 3kzg n ASN 77 Ca -0.01 -1.78 -0.19 0.00 -0.03 0.00 0.00 54.58 52.56 3kzg n ASN 77 Cb 0.11 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.32 -1.47 0.23 3.52 3.00 -0.38 -4.84 116.66 117.05 3kzg n ARG 78 Ca 0.15 1.01 0.10 0.00 -0.01 0.00 0.00 57.85 59.09 3kzg n ARG 78 Cb 0.30 -5.50 0.51 0.00 0.00 0.00 0.00 32.46 27.78 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 0.00 -4.25 5.56 5.08 -1.37 -3.44 114.58 116.17 3kzg h GLU 79 Ca -0.43 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.75 3kzg h GLU 79 Cb 1.31 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.38 3kzg h GLU 79 CO 0.55 0.23 -0.70 0.14 -1.00 0.00 0.00 179.01 178.23 3kzg s VAL 80 N -3.82 0.29 0.05 3.13 -7.23 -1.24 -5.01 120.40 106.58 3kzg s VAL 80 Ca -0.01 -1.38 -0.08 0.00 -1.81 0.00 0.00 61.98 58.71 3kzg s VAL 80 Cb 0.11 -0.93 -0.30 0.00 0.56 0.00 0.00 36.38 35.82 3kzg s VAL 80 CO 0.63 -0.70 1.04 0.44 -0.31 0.00 0.00 175.10 176.20 3kzg h ASP 81 N 3.90 0.55 -5.43 4.85 3.32 -0.61 -3.44 116.42 119.55 3kzg h ASP 81 Ca -0.34 -0.61 -0.17 0.00 0.02 0.00 0.00 57.03 55.92 3kzg h ASP 81 Cb 1.18 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 3kzg h ASP 81 CO 0.52 1.49 -0.52 -0.76 -1.72 0.00 0.00 179.24 178.26 3kzg s LEU 82 N -7.25 1.24 -0.02 1.55 1.43 -1.17 -4.72 118.68 109.74 3kzg s LEU 82 Ca -0.07 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 3kzg s LEU 82 Cb 0.06 0.66 0.01 0.00 0.03 0.00 0.00 46.19 46.95 3kzg s LEU 82 CO 0.90 -0.84 -0.03 -0.69 0.23 0.00 0.00 176.35 175.91 3kzg s VAL 83 N -4.07 0.33 -0.18 -1.59 1.01 -1.26 -0.90 120.40 113.74 3kzg s VAL 83 Ca 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 3kzg s VAL 83 Cb 0.06 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.17 3kzg s VAL 83 CO 0.06 0.14 0.16 -0.51 0.00 0.00 0.00 175.10 174.94 3kzg s ILE 84 N 0.48 -0.21 -0.48 2.22 2.07 -0.84 -4.45 121.20 119.98 3kzg s ILE 84 Ca -0.05 -0.13 0.05 0.00 -1.41 0.00 0.00 60.65 59.11 3kzg s ILE 84 Cb -0.08 -0.62 0.22 0.00 0.13 0.00 0.00 42.46 42.11 3kzg s ILE 84 CO -0.01 -0.24 0.86 0.00 -1.91 0.00 0.00 174.94 173.65 3kzg n ALA 85 N 5.30 -1.92 -0.90 1.50 0.00 -1.26 -4.39 120.51 118.84 3kzg n ALA 85 Ca -0.06 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3kzg n ALA 85 Cb 0.49 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 2.26 0.00 -3.67 0.00 3.41 -1.26 -4.93 113.62 109.42 3kzg n SER 86 Ca 0.13 0.36 -0.09 0.00 -0.26 0.00 0.00 58.87 59.00 3kzg n SER 86 Cb 0.61 -1.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.44 -0.28 -0.10 -1.33 1.01 -1.26 -4.92 121.20 112.88 3kzg s ILE 88 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 3kzg s ILE 88 Cb 0.00 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 3kzg s ILE 88 CO 0.00 0.04 1.63 -0.63 0.00 0.00 0.00 174.94 175.99 3kzg s ILE 89 N 1.90 3.64 0.07 2.92 1.01 -0.42 -4.89 121.20 125.44 3kzg s ILE 89 Ca -0.07 0.76 0.02 0.00 0.00 0.00 0.00 60.65 61.36 3kzg s ILE 89 Cb -0.09 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3kzg s ILE 89 CO -0.14 -0.12 -0.07 0.42 0.00 0.00 0.00 174.94 175.03 3kzg s THR 90 N 4.38 0.62 0.28 2.92 -4.23 -1.26 -1.17 115.64 117.17 3kzg s THR 90 Ca 0.72 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 3kzg s THR 90 Cb -0.31 -1.26 0.23 0.00 1.34 0.00 0.00 72.50 72.50 3kzg s THR 90 CO 0.29 -0.69 1.91 0.44 -0.54 0.00 0.00 174.62 176.03 3kzg h ASP 91 N 3.56 0.97 -0.79 3.99 3.32 -1.98 -1.85 116.42 123.64 3kzg h ASP 91 Ca -0.35 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.66 3kzg h ASP 91 Cb 1.18 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 3kzg h ASP 91 CO 0.55 0.76 0.50 -0.33 -1.72 0.00 0.00 179.24 179.01 3kzg h GLU 92 N 1.10 0.95 -0.00 3.56 5.08 -1.99 -2.53 114.58 120.76 3kzg h GLU 92 Ca 0.28 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 3kzg h GLU 92 Cb -0.01 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3kzg h GLU 92 CO -0.05 0.63 -0.77 0.00 -1.00 0.00 0.00 179.01 177.83 3kzg h ARG 93 N 0.98 0.02 0.00 2.33 2.47 -1.85 -3.12 114.38 115.21 3kzg h ARG 93 Ca 0.31 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3kzg h ARG 93 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3kzg h ARG 93 CO -0.11 0.77 0.00 1.63 0.56 0.00 0.00 179.97 182.83 3kzg n LYS 94 N -3.64 0.25 0.10 0.04 5.02 -0.73 -1.26 118.16 117.94 3kzg n LYS 94 Ca -0.01 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 3kzg n LYS 94 Cb 0.74 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.57 3kzg n LYS 94 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3kzg h LYS 95 N 0.00 0.00 0.00 1.97 1.57 -1.51 -3.36 116.57 115.24 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kzg h LYS 95 CO 0.00 0.00 -0.12 0.72 -0.57 0.00 0.00 179.45 179.48 3kzg n HIS 96 N -2.28 0.00 -4.10 -1.35 8.25 -0.82 -5.09 115.22 109.82 3kzg n HIS 96 Ca 0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.43 3kzg n HIS 96 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.56 0.60 0.18 4.41 0.08 -0.39 -4.41 117.98 117.88 3kzg s PHE 97 Ca 0.00 -1.02 0.08 0.00 0.12 0.00 0.00 56.93 56.12 3kzg s PHE 97 Cb 0.00 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 3kzg s PHE 97 CO 0.00 -0.32 -0.07 0.96 -0.10 0.00 0.00 175.22 175.69 3kzg s ILE 98 N -3.77 3.35 0.21 0.64 -4.36 -0.17 -4.09 121.20 113.01 3kzg s ILE 98 Ca 0.07 -1.58 0.11 0.00 -0.26 0.00 0.00 60.65 58.99 3kzg s ILE 98 Cb 0.07 -2.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.07 3kzg s ILE 98 CO -0.09 -0.10 -0.21 -0.36 0.24 0.00 0.00 174.94 174.42 3kzg s PHE 99 N -1.70 2.17 0.64 1.37 0.08 -1.26 -1.08 117.98 118.20 3kzg s PHE 99 Ca 0.25 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.86 3kzg s PHE 99 Cb -0.09 -1.03 0.14 0.00 -0.57 0.00 0.00 43.02 41.47 3kzg s PHE 99 CO 0.16 0.52 0.88 -1.13 -0.10 0.00 0.00 175.22 175.55 3kzg n SER 100 N -0.01 0.55 -4.76 1.36 3.41 -0.17 -4.98 113.62 109.02 3kzg n SER 100 Ca -0.10 -1.61 -0.38 0.00 -0.26 0.00 0.00 58.87 56.51 3kzg n SER 100 Cb 0.58 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 3kzg n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kzg s LEU 101 N 0.00 4.00 0.46 1.04 1.43 -1.26 -4.66 118.68 119.69 3kzg s LEU 101 Ca 0.53 2.63 -0.24 0.00 -1.03 0.00 0.00 54.13 56.03 3kzg s LEU 101 Cb -0.02 -4.15 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 3kzg s LEU 101 CO 0.37 -1.20 1.24 -2.16 0.23 0.00 0.00 176.35 174.82 3kzg s PRO 102 N -2.66 3.70 -0.20 1.29 0.04 -1.26 -4.57 135.00 131.33 3kzg s PRO 102 Ca 0.65 1.97 0.16 0.00 0.04 0.00 0.00 61.00 63.82 3kzg s PRO 102 Cb -0.37 -2.48 0.63 0.00 0.04 0.00 0.00 34.50 32.32 3kzg s PRO 102 CO 0.45 -0.66 1.54 2.48 0.04 0.00 0.00 177.00 180.85 3kzg n TYR 103 N -0.41 1.35 -3.62 0.56 0.18 0.02 -4.97 117.16 110.26 3kzg n TYR 103 Ca 0.07 -0.85 -0.37 0.00 1.88 0.00 0.00 57.90 58.63 3kzg n TYR 103 Cb 0.46 -0.39 -0.06 0.00 -0.38 0.00 0.00 39.34 38.97 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 -2.83 3.75 -0.24 -3.48 2.12 -1.26 -5.00 118.70 111.76 3kzg s GLU 105 Ca 0.47 0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.92 3kzg s GLU 105 Cb 0.37 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.56 3kzg s GLU 105 CO 0.11 0.69 0.09 -1.54 -0.54 0.00 0.00 175.26 174.06 3kzg s SER 106 N -1.24 5.33 0.02 -1.70 1.04 -1.26 -4.65 113.70 111.24 3kzg s SER 106 Ca 0.24 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.56 3kzg s SER 106 Cb -0.15 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 3kzg s SER 106 CO 0.12 -0.01 -0.10 0.20 0.98 0.00 0.00 173.24 174.44 3kzg s ASN 107 N 1.47 1.13 0.38 7.02 -0.87 -1.26 -2.27 114.94 120.54 3kzg s ASN 107 Ca 0.06 -0.36 0.07 0.00 -1.57 0.00 0.00 52.86 51.06 3kzg s ASN 107 Cb -0.15 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.25 41.02 3kzg s ASN 107 CO 0.05 -0.02 0.51 -0.94 -2.57 0.00 0.00 177.10 174.13 3kzg s SER 108 N -0.91 5.75 -0.22 -1.22 1.04 0.21 -0.95 113.70 117.40 3kzg s SER 108 Ca -0.01 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.93 3kzg s SER 108 Cb -0.07 -0.90 0.06 0.00 0.10 0.00 0.00 66.02 65.22 3kzg s SER 108 CO 0.00 -0.61 0.55 -1.58 0.98 0.00 0.00 173.24 172.59 3kzg s GLN 109 N -4.26 0.58 0.03 4.02 2.00 -1.26 0.10 119.66 120.87 3kzg s GLN 109 Ca 0.50 0.93 -0.25 0.00 -2.00 0.00 0.00 55.36 54.54 3kzg s GLN 109 Cb -0.09 0.14 -0.05 0.00 0.80 0.00 0.00 33.01 33.81 3kzg s GLN 109 CO 0.32 -0.13 0.77 0.71 -0.50 0.00 0.00 175.29 176.46 3kzg s TYR 110 N 1.12 3.71 0.03 1.67 2.02 -1.26 -4.35 117.35 120.28 3kzg s TYR 110 Ca -0.07 1.45 0.02 0.00 -0.37 0.00 0.00 57.07 58.11 3kzg s TYR 110 Cb -0.06 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.65 3kzg s TYR 110 CO -0.11 0.23 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.54 3kzg s ILE 111 N 0.12 0.50 0.33 2.71 2.07 -0.11 -0.84 121.20 125.97 3kzg s ILE 111 Ca 0.39 -0.79 -0.06 0.00 -1.41 0.00 0.00 60.65 58.78 3kzg s ILE 111 Cb -0.20 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 41.87 3kzg s ILE 111 CO 0.22 -0.21 0.51 0.28 -1.91 0.00 0.00 174.94 173.83 3kzg s THR 112 N -0.96 0.00 0.35 4.00 -1.32 -0.71 -1.09 115.64 115.91 3kzg s THR 112 Ca -0.06 -1.50 -0.25 0.00 -1.21 0.00 0.00 61.69 58.68 3kzg s THR 112 Cb -0.07 -2.58 -0.10 0.00 -1.51 0.00 0.00 72.50 68.23 3kzg s THR 112 CO 0.00 0.00 0.95 0.42 -2.21 0.00 0.00 174.62 173.78 3kzg s THR 113 N -3.18 4.23 0.52 5.08 -4.23 -1.26 -1.23 115.64 115.57 3kzg s THR 113 Ca 0.27 1.71 0.25 0.00 -1.18 0.00 0.00 61.69 62.74 3kzg s THR 113 Cb -0.01 -3.89 0.40 0.00 1.34 0.00 0.00 72.50 70.35 3kzg s THR 113 CO 0.17 0.01 1.98 -0.37 -0.54 0.00 0.00 174.62 175.87 3kzg h VAL 114 N 2.41 0.72 -0.10 2.29 -1.51 -1.22 -0.39 116.25 118.45 3kzg h VAL 114 Ca -0.47 -0.02 -0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3kzg h VAL 114 Cb 1.19 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.02 3kzg h VAL 114 CO 0.64 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 176.09 3kzg n ASP 115 N -4.38 1.82 -4.86 4.19 5.68 -1.26 -4.87 116.55 112.88 3kzg n ASP 115 Ca 0.11 -2.16 -0.36 0.00 -0.50 0.00 0.00 54.79 51.89 3kzg n ASP 115 Cb 0.63 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 3kzg n ASP 115 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kzg s SER 116 N -0.10 6.69 0.39 -1.12 0.15 -0.16 -4.98 113.70 114.58 3kzg s SER 116 Ca 0.09 0.84 0.19 0.00 0.70 0.00 0.00 55.95 57.77 3kzg s SER 116 Cb 0.07 -2.20 0.74 0.00 -1.71 0.00 0.00 66.02 62.92 3kzg s SER 116 CO 0.03 0.23 1.77 0.11 1.20 0.00 0.00 173.24 176.58 3kzg h LYS 117 N 4.11 0.00 -6.40 5.44 1.79 -1.89 -3.42 116.57 116.19 3kzg h LYS 117 Ca -0.50 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.43 3kzg h LYS 117 Cb 1.20 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.87 3kzg h LYS 117 CO 0.64 0.35 1.08 0.42 -1.08 0.00 0.00 179.45 180.87 3kzg s ILE 118 N -3.69 3.06 0.00 1.86 1.01 -1.26 -4.78 121.20 117.39 3kzg s ILE 118 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3kzg s ILE 118 Cb 0.11 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3kzg s ILE 118 CO 0.68 -0.01 0.00 -1.54 0.00 0.00 0.00 174.94 174.07 3kzg n SER 119 N 6.29 0.88 -4.29 3.58 3.41 -1.26 -5.03 113.62 117.19 3kzg n SER 119 Ca 0.17 -0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.53 3kzg n SER 119 Cb 0.41 0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.43 1.63 0.59 6.66 -4.23 -1.26 -4.66 115.64 113.93 3kzg s THR 120 Ca 0.00 -1.70 0.29 0.00 -1.18 0.00 0.00 61.69 59.09 3kzg s THR 120 Cb 0.00 -1.62 0.38 0.00 1.34 0.00 0.00 72.50 72.59 3kzg s THR 120 CO 0.00 -0.24 1.89 0.15 -0.54 0.00 0.00 174.62 175.88 3kzg h PHE 121 N 3.66 0.00 0.00 3.99 3.57 -1.96 0.16 116.94 126.36 3kzg h PHE 121 Ca -0.43 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 3kzg h PHE 121 Cb 1.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3kzg h PHE 121 CO 0.65 0.00 -0.46 0.22 -2.23 0.00 0.00 178.31 176.49 3kzg h ASP 122 N 0.00 0.00 0.67 0.41 3.58 -1.99 -3.20 116.42 115.89 3kzg h ASP 122 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3kzg h ASP 122 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 3kzg h ASP 122 CO -0.00 0.46 0.00 0.47 -2.88 0.00 0.00 179.24 177.29 3kzg n ASP 123 N -3.34 0.00 0.00 2.28 8.00 0.55 -3.24 116.55 120.80 3kzg n ASP 123 Ca 0.01 0.25 0.08 0.00 0.71 0.00 0.00 54.79 55.85 3kzg n ASP 123 Cb 0.65 -0.41 0.42 0.00 -0.02 0.00 0.00 41.12 41.76 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 -1.41 0.00 -4.69 0.64 4.77 -1.21 -4.77 117.00 110.34 3kzg n LEU 124 Ca 0.08 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 3kzg n LEU 124 Cb 0.24 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3kzg n LEU 124 CO 0.21 -0.14 1.33 -2.28 -1.33 0.00 0.00 177.39 175.18 3kzg s HIS 125 N -2.62 2.40 0.00 -1.77 2.46 -1.20 -2.23 115.29 112.33 3kzg s HIS 125 Ca 0.15 0.32 0.00 0.00 0.47 0.00 0.00 55.06 56.00 3kzg s HIS 125 Cb 0.11 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 3kzg s HIS 125 CO 0.26 -3.85 0.00 0.41 -2.47 0.00 0.00 174.74 169.09 3kzg n GLY 126 N 4.00 0.60 3.94 1.59 0.00 -0.65 -5.03 105.19 109.64 3kzg n GLY 126 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.04 3.49 -0.18 1.61 -0.14 -0.95 -4.89 119.74 118.65 3kzg s LYS 127 Ca 0.00 -0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 54.14 3kzg s LYS 127 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 3kzg s LYS 127 CO 0.00 0.14 0.47 0.15 -0.76 0.00 0.00 175.35 175.34 3kzg s LYS 128 N -4.29 4.22 -0.14 1.68 1.02 -1.26 -2.63 119.74 118.34 3kzg s LYS 128 Ca 0.40 0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.73 3kzg s LYS 128 Cb -0.10 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 3kzg s LYS 128 CO 0.36 -0.04 -0.11 0.42 -0.92 0.00 0.00 175.35 175.07 3kzg s ILE 129 N 1.29 3.25 0.21 2.17 -1.09 0.65 -0.80 121.20 126.88 3kzg s ILE 129 Ca 0.23 -0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 57.86 3kzg s ILE 129 Cb -0.15 -2.39 -0.08 0.00 -1.58 0.00 0.00 42.46 38.26 3kzg s ILE 129 CO 0.09 0.51 0.72 -0.83 -1.23 0.00 0.00 174.94 174.20 3kzg s GLY 130 N 0.38 2.64 0.00 6.18 0.00 0.72 -1.00 107.32 116.23 3kzg s GLY 130 Ca -0.09 0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.73 3kzg s GLY 130 CO 0.05 0.53 0.13 0.14 0.00 0.00 0.00 173.10 173.95 3kzg s VAL 131 N -1.47 0.08 -0.29 1.40 1.01 -0.53 -1.87 120.40 118.74 3kzg s VAL 131 Ca 0.42 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 3kzg s VAL 131 Cb -0.17 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3kzg s VAL 131 CO 0.21 -0.39 1.01 -0.60 0.00 0.00 0.00 175.10 175.33 3kzg s ARG 132 N -1.40 4.10 0.12 2.72 3.52 -1.26 -0.63 118.95 126.12 3kzg s ARG 132 Ca -0.15 1.05 -0.34 0.00 -0.13 0.00 0.00 55.73 56.16 3kzg s ARG 132 Cb -0.08 -3.71 -0.14 0.00 -1.56 0.00 0.00 34.95 29.47 3kzg s ARG 132 CO 0.02 -0.78 1.60 1.17 -0.81 0.00 0.00 175.30 176.49 3kzg n LYS 133 N 6.58 2.07 0.00 5.12 4.81 0.23 -2.13 118.16 134.84 3kzg n LYS 133 Ca 0.10 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3kzg n LYS 133 Cb 0.47 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.00 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 3.47 2.40 3.96 3.14 0.00 -1.26 -4.04 105.19 112.85 3kzg n GLY 134 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.44 2.98 -1.86 2.61 -4.23 -0.91 -4.98 115.64 106.81 3kzg s THR 135 Ca 0.00 -0.52 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 3kzg s THR 135 Cb 0.00 -3.14 0.25 0.00 1.34 0.00 0.00 72.50 70.95 3kzg s THR 135 CO 0.00 -0.11 1.17 -0.81 -0.54 0.00 0.00 174.62 174.33 3kzg n PRO 136 N -2.39 1.72 0.03 3.99 -0.04 -1.26 -4.26 135.00 132.80 3kzg n PRO 136 Ca 0.06 -1.00 -0.03 0.00 -0.04 0.00 0.00 63.50 62.49 3kzg n PRO 136 Cb 0.59 -1.27 0.22 0.00 -0.04 0.00 0.00 33.50 32.99 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 1.58 0.48 -0.49 0.54 0.05 -1.93 -1.84 116.97 115.36 3kzg h TYR 137 Ca 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 3kzg h TYR 137 Cb 0.44 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3kzg h TYR 137 CO 0.21 0.66 0.27 0.00 -1.05 0.00 0.00 178.16 178.25 3kzg h ALA 138 N 1.34 0.62 -0.68 3.88 0.00 -1.91 -0.61 119.26 121.90 3kzg h ALA 138 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kzg h ALA 138 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kzg h ALA 138 CO 0.05 0.14 0.28 -0.09 0.00 0.00 0.00 179.25 179.63 3kzg h ARG 139 N 0.64 1.00 -0.41 0.00 2.43 -1.80 -1.85 114.38 114.40 3kzg h ARG 139 Ca 0.17 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3kzg h ARG 139 Cb 0.05 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3kzg h ARG 139 CO -0.03 0.81 0.09 0.37 -1.51 0.00 0.00 179.97 179.71 3kzg h GLN 140 N 0.98 0.66 0.12 0.20 4.15 -0.73 -1.45 115.11 119.04 3kzg h GLN 140 Ca 0.23 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3kzg h GLN 140 Cb 0.18 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3kzg h GLN 140 CO -0.02 0.69 -0.06 0.28 -1.93 0.00 0.00 178.83 177.79 3kzg h VAL 141 N 0.53 0.91 -0.24 2.39 2.07 -0.84 -3.06 116.25 118.01 3kzg h VAL 141 Ca 0.13 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3kzg h VAL 141 Cb 0.32 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3kzg h VAL 141 CO 0.00 0.03 -0.23 -0.07 0.02 0.00 0.00 177.57 177.32 3kzg h LEU 142 N -0.22 0.45 -1.34 2.57 3.38 -1.32 -2.60 115.31 116.23 3kzg h LEU 142 Ca -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kzg h LEU 142 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kzg h LEU 142 CO 0.03 0.69 0.00 0.77 0.09 0.00 0.00 178.44 180.02 3kzg h SER 143 N 0.40 0.00 1.58 -0.43 4.64 -1.16 -0.71 113.55 117.88 3kzg h SER 143 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kzg h SER 143 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3kzg h SER 143 CO 0.05 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.68 3kzg h GLU 144 N 0.00 0.00 -6.28 4.77 5.08 -1.40 -3.48 114.58 113.27 3kzg h GLU 144 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 3kzg h GLU 144 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3kzg h GLU 144 CO 0.00 0.00 -0.88 0.09 -1.00 0.00 0.00 179.01 177.22 3kzg n ASN 145 N -2.80 -1.56 -2.05 1.42 5.03 -0.27 -4.90 115.26 110.12 3kzg n ASN 145 Ca 0.04 -0.94 -0.24 0.00 0.87 0.00 0.00 54.58 54.31 3kzg n ASN 145 Cb 0.44 -3.51 0.02 0.00 -1.02 0.00 0.00 39.78 35.71 3kzg n ASN 145 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 3kzg n ARG 146 N -4.30 3.59 -3.80 3.52 1.85 -1.26 -4.98 116.66 111.28 3kzg n ARG 146 Ca -0.27 -4.18 -0.31 0.00 -1.00 0.00 0.00 57.85 52.09 3kzg n ARG 146 Cb 0.67 -2.27 0.02 0.00 -1.05 0.00 0.00 32.46 29.82 3kzg n ARG 146 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3kzg n ASN 147 N -0.70 -4.98 -4.54 2.89 5.15 -1.26 -1.63 115.26 110.20 3kzg n ASN 147 Ca 0.43 -1.01 -0.27 0.00 -0.60 0.00 0.00 54.58 53.14 3kzg n ASN 147 Cb 0.95 -2.31 -0.10 0.00 -0.53 0.00 0.00 39.78 37.79 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 -3.25 4.07 -0.08 1.20 0.01 -1.26 -1.82 114.94 113.80 3kzg s ASN 148 Ca 0.25 -0.65 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 3kzg s ASN 148 Cb -0.12 -0.61 -0.01 0.00 0.41 0.00 0.00 41.25 40.91 3kzg s ASN 148 CO 0.90 0.10 -0.20 -1.58 -1.51 0.00 0.00 177.10 174.81 3kzg s GLN 149 N -2.83 2.81 -0.15 -0.60 0.74 -1.08 -4.94 119.66 113.60 3kzg s GLN 149 Ca 0.24 -0.82 -0.07 0.00 0.05 0.00 0.00 55.36 54.77 3kzg s GLN 149 Cb -0.08 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 3kzg s GLN 149 CO 0.14 0.36 0.09 0.08 -0.55 0.00 0.00 175.29 175.41 3kzg s VAL 150 N -0.07 5.07 -0.24 1.34 1.01 -1.26 -0.25 120.40 126.00 3kzg s VAL 150 Ca -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 3kzg s VAL 150 Cb -0.14 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3kzg s VAL 150 CO 0.04 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.97 3kzg s ILE 151 N -0.22 2.92 -0.06 2.22 -1.09 -0.17 -4.95 121.20 119.85 3kzg s ILE 151 Ca 0.09 -0.91 -0.26 0.00 -2.23 0.00 0.00 60.65 57.34 3kzg s ILE 151 Cb -0.12 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3kzg s ILE 151 CO 0.01 0.27 0.83 -0.36 -1.23 0.00 0.00 174.94 174.46 3kzg s PHE 152 N 1.35 3.58 -0.07 3.97 0.08 -1.26 -1.45 117.98 124.19 3kzg s PHE 152 Ca 0.02 1.42 0.05 0.00 0.12 0.00 0.00 56.93 58.54 3kzg s PHE 152 Cb -0.16 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.32 3kzg s PHE 152 CO -0.05 -0.01 -0.24 0.71 -0.10 0.00 0.00 175.22 175.53 3kzg s TYR 153 N 1.11 2.49 0.10 0.36 2.02 0.20 -4.88 117.35 118.74 3kzg s TYR 153 Ca 0.43 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 3kzg s TYR 153 Cb -0.19 -1.64 -0.19 0.00 -0.40 0.00 0.00 41.96 39.55 3kzg s TYR 153 CO 0.21 -0.27 1.22 0.93 -1.57 0.00 0.00 175.55 176.06 3kzg h GLU 154 N 6.26 0.41 -6.52 -0.62 5.08 -1.91 0.67 114.58 117.96 3kzg h GLU 154 Ca -0.28 -0.53 -0.68 0.00 -1.00 0.00 0.00 59.36 56.87 3kzg h GLU 154 Cb 1.20 0.17 -0.19 0.00 0.50 0.00 0.00 28.75 30.43 3kzg h GLU 154 CO 0.47 1.20 -0.76 -0.51 -1.00 0.00 0.00 179.01 178.41 3kzg s LEU 155 N -7.58 2.87 0.34 1.33 1.02 -1.26 -4.57 118.68 110.84 3kzg s LEU 155 Ca -0.06 -0.36 0.04 0.00 0.02 0.00 0.00 54.13 53.77 3kzg s LEU 155 Cb 0.08 -1.68 0.62 0.00 0.02 0.00 0.00 46.19 45.23 3kzg s LEU 155 CO 0.89 0.23 1.92 0.40 0.02 0.00 0.00 176.35 179.80 3kzg h ILE 156 N 3.67 1.18 -0.88 -0.59 1.08 -1.88 -2.58 117.51 117.51 3kzg h ILE 156 Ca -0.48 -0.62 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 3kzg h ILE 156 Cb 1.16 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 3kzg h ILE 156 CO 0.50 0.23 0.55 1.56 -0.69 0.00 0.00 178.15 180.30 3kzg h GLN 157 N 0.60 1.18 -0.84 2.37 7.50 -1.95 -0.90 115.11 123.07 3kzg h GLN 157 Ca 0.14 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3kzg h GLN 157 Cb 0.20 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.48 3kzg h GLN 157 CO -0.01 0.81 0.00 -0.25 -1.50 0.00 0.00 178.83 177.89 3kzg n ASP 158 N -4.43 0.50 0.00 1.46 10.43 -0.97 -1.26 116.55 122.28 3kzg n ASP 158 Ca 0.09 -0.56 0.00 0.00 2.57 0.00 0.00 54.79 56.89 3kzg n ASP 158 Cb 0.04 -0.14 0.00 0.00 1.84 0.00 0.00 41.12 42.86 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 0.55 0.00 -0.10 0.64 4.77 -0.34 -0.18 117.00 122.35 3kzg n LEU 160 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3kzg n LEU 160 Cb 0.10 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3kzg n LEU 160 CO 0.00 0.00 0.59 0.25 -1.33 0.00 0.00 177.39 176.90 3kzg h LEU 161 N 0.00 0.73 -0.72 2.23 5.85 -1.42 -1.19 115.31 120.78 3kzg h LEU 161 Ca 0.00 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.27 3kzg h LEU 161 Cb 0.00 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3kzg h LEU 161 CO 0.00 1.03 0.47 1.23 -0.34 0.00 0.00 178.44 180.84 3kzg h GLY 162 N 0.43 1.02 0.97 3.75 0.00 -0.82 0.90 103.07 109.32 3kzg h GLY 162 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kzg h GLY 162 CO 0.07 0.35 0.02 -2.00 0.00 0.00 0.00 176.54 174.97 3kzg h LEU 163 N 0.95 0.04 -0.73 3.11 5.85 -1.76 0.80 115.31 123.57 3kzg h LEU 163 Ca 0.27 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3kzg h LEU 163 Cb -0.08 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3kzg h LEU 163 CO -0.07 0.06 0.45 0.28 -0.34 0.00 0.00 178.44 178.82 3kzg h SER 164 N 0.01 0.73 0.00 1.25 0.02 -0.77 -0.56 113.55 114.23 3kzg h SER 164 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3kzg h SER 164 Cb 0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3kzg h SER 164 CO -0.00 0.49 0.00 0.59 -1.14 0.00 0.00 176.83 176.77 3kzg n ASN 165 N -4.67 0.00 -2.40 3.07 5.03 0.27 -4.88 115.26 111.68 3kzg n ASN 165 Ca 0.09 -1.30 -0.19 0.00 0.87 0.00 0.00 54.58 54.04 3kzg n ASN 165 Cb 0.11 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.88 3kzg n ASN 165 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3kzg n ASN 166 N -0.82 -5.52 0.14 6.41 5.15 -0.22 -4.87 115.26 115.54 3kzg n ASN 166 Ca 0.14 -0.13 0.03 0.00 -0.60 0.00 0.00 54.58 54.02 3kzg n ASN 166 Cb 0.07 -4.47 0.05 0.00 -0.53 0.00 0.00 39.78 34.89 3kzg n ASN 166 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3kzg h GLN 167 N -0.59 0.00 -4.83 1.20 1.08 0.36 -3.44 115.11 108.88 3kzg h GLN 167 Ca -0.46 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.44 3kzg h GLN 167 Cb 1.33 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.56 3kzg h GLN 167 CO 0.52 0.49 -0.74 0.14 -0.95 0.00 0.00 178.83 178.29 3kzg s VAL 168 N -3.00 0.78 -0.01 -0.54 -7.23 -1.22 -4.99 120.40 104.19 3kzg s VAL 168 Ca 0.04 -1.40 0.11 0.00 -1.81 0.00 0.00 61.98 58.92 3kzg s VAL 168 Cb 0.08 -1.06 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 3kzg s VAL 168 CO 0.74 -0.47 1.35 0.44 -0.31 0.00 0.00 175.10 176.85 3kzg h ASP 169 N 3.98 0.00 -5.18 4.85 3.32 -1.27 -3.41 116.42 118.71 3kzg h ASP 169 Ca -0.37 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.77 3kzg h ASP 169 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3kzg h ASP 169 CO 0.47 0.76 0.39 0.00 -1.72 0.00 0.00 179.24 179.14 3kzg s ALA 170 N -2.83 -1.26 0.01 3.45 0.00 -1.13 -4.68 121.76 115.31 3kzg s ALA 170 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3kzg s ALA 170 Cb 0.09 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3kzg s ALA 170 CO 0.78 -1.03 -0.05 0.45 0.00 0.00 0.00 175.76 175.91 3kzg s SER 171 N -3.09 0.61 -0.11 0.00 0.15 -0.25 -0.20 113.70 110.81 3kzg s SER 171 Ca 0.15 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.61 3kzg s SER 171 Cb -0.04 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3kzg s SER 171 CO 0.07 -0.00 -0.10 -0.22 1.20 0.00 0.00 173.24 174.18 3kzg s LEU 172 N -0.45 2.92 0.32 3.45 2.96 -0.78 -0.93 118.68 126.17 3kzg s LEU 172 Ca -0.01 -0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 53.42 3kzg s LEU 172 Cb -0.04 -1.65 -0.10 0.00 0.50 0.00 0.00 46.19 44.91 3kzg s LEU 172 CO -0.00 0.24 1.17 -1.81 -1.32 0.00 0.00 176.35 174.63 3kzg s ASP 174 N -0.08 6.97 0.12 3.68 1.01 -1.26 -4.52 116.67 122.59 3kzg s ASP 174 Ca -0.01 2.40 -0.21 0.00 0.71 0.00 0.00 52.55 55.44 3kzg s ASP 174 Cb -0.14 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 3kzg s ASP 174 CO 0.03 -0.36 1.71 0.22 0.21 0.00 0.00 175.17 176.98 3kzg h TYR 175 N 3.43 -0.12 0.00 4.23 3.20 -1.28 0.05 116.97 126.48 3kzg h TYR 175 Ca -0.48 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 3kzg h TYR 175 Cb 1.22 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 3kzg h TYR 175 CO 0.57 -0.09 -0.20 0.93 -1.64 0.00 0.00 178.16 177.74 3kzg h GLU 176 N -0.02 0.00 -0.09 1.82 4.39 -1.97 -1.29 114.58 117.42 3kzg h GLU 176 Ca 0.08 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.55 3kzg h GLU 176 Cb 0.14 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3kzg h GLU 176 CO -0.18 0.20 -0.86 0.00 -1.16 0.00 0.00 179.01 177.00 3kzg h ALA 177 N 1.80 0.29 -0.38 3.43 0.00 -1.61 -2.02 119.26 120.77 3kzg h ALA 177 Ca -0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3kzg h ALA 177 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kzg h ALA 177 CO 0.03 0.70 0.09 0.00 0.00 0.00 0.00 179.25 180.07 3kzg h ALA 178 N 0.56 0.51 -0.68 0.00 0.00 -0.46 -2.17 119.26 117.01 3kzg h ALA 178 Ca -0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3kzg h ALA 178 Cb 1.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3kzg h ALA 178 CO 0.17 0.18 0.19 0.87 0.00 0.00 0.00 179.25 180.67 3kzg h LYS 179 N 0.47 1.06 0.22 0.00 1.57 -1.29 -2.98 116.57 115.63 3kzg h LYS 179 Ca 0.12 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3kzg h LYS 179 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3kzg h LYS 179 CO 0.00 0.92 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.64 3kzg h TYR 180 N 1.02 -0.63 0.00 -1.35 3.20 -1.13 -2.47 116.97 115.60 3kzg h TYR 180 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3kzg h TYR 180 Cb 0.32 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3kzg h TYR 180 CO 0.02 -0.35 0.00 0.91 -1.64 0.00 0.00 178.16 177.10 3kzg n TRP 181 N -5.36 0.00 0.00 -3.82 7.02 -0.84 -0.94 117.44 113.50 3kzg n TRP 181 Ca -0.08 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 3kzg n TRP 181 Cb 0.27 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 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 1.24 0.00 0.00 6.99 0.00 -0.93 -2.02 120.51 125.78 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 2.39 -3.78 0.00 7.64 -0.12 -4.97 113.62 114.78 3kzg n SER 184 Ca 0.00 -0.11 -0.26 0.00 1.01 0.00 0.00 58.87 59.51 3kzg n SER 184 Cb 0.00 0.69 -0.17 0.00 -1.01 0.00 0.00 64.21 63.72 3kzg n SER 184 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3kzg s GLU 185 N -1.17 0.82 0.93 1.43 2.12 -0.86 -3.49 118.70 118.48 3kzg s GLU 185 Ca 0.00 -0.29 -0.14 0.00 0.36 0.00 0.00 54.97 54.90 3kzg s GLU 185 Cb 0.00 -1.76 0.16 0.00 0.26 0.00 0.00 34.13 32.79 3kzg s GLU 185 CO 0.00 -0.50 1.22 -1.25 -0.54 0.00 0.00 175.26 174.20 3kzg s PRO 186 N 1.84 0.97 0.11 4.30 0.04 -1.26 -3.24 135.00 137.76 3kzg s PRO 186 Ca 0.01 -0.07 -0.33 0.00 0.04 0.00 0.00 61.00 60.65 3kzg s PRO 186 Cb -0.15 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 3kzg s PRO 186 CO -0.07 -2.24 1.57 1.88 0.04 0.00 0.00 177.00 178.17 3kzg h TYR 187 N -1.52 -1.41 -2.15 0.56 -1.99 -1.93 -3.03 116.97 105.50 3kzg h TYR 187 Ca -0.46 0.04 -0.80 0.00 2.00 0.00 0.00 58.73 59.50 3kzg h TYR 187 Cb 1.29 0.60 -0.26 0.00 2.00 0.00 0.00 36.73 40.36 3kzg h TYR 187 CO -0.50 -0.57 1.17 0.00 -0.00 0.00 0.00 178.16 178.26 3kzg n ALA 188 N -2.90 6.14 0.29 3.88 0.00 -1.26 -4.71 120.51 121.94 3kzg n ALA 188 Ca -0.08 -4.56 0.18 0.00 0.00 0.00 0.00 53.44 48.98 3kzg n ALA 188 Cb 0.40 -2.25 0.93 0.00 0.00 0.00 0.00 19.45 18.53 3kzg n ALA 188 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3kzg h TYR 189 N 4.27 0.00 -0.47 0.00 -0.00 -1.76 -0.50 116.97 118.51 3kzg h TYR 189 Ca 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 59.22 3kzg h TYR 189 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.04 3kzg h TYR 189 CO 1.36 0.00 0.05 -0.22 -0.00 0.00 0.00 178.16 179.35 3kzg h LYS 190 N 0.00 0.80 0.06 0.10 1.63 -1.86 0.29 116.57 117.59 3kzg h LYS 190 Ca 0.00 -0.23 -0.27 0.00 -0.85 0.00 0.00 60.65 59.30 3kzg h LYS 190 Cb 0.12 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 3kzg h LYS 190 CO 0.00 0.83 -1.44 -0.07 -3.45 0.00 0.00 179.45 175.31 3kzg h LEU 191 N 0.66 0.20 0.00 5.20 4.07 -1.66 -3.40 115.31 120.39 3kzg h LEU 191 Ca 0.14 -0.73 0.00 0.00 0.08 0.00 0.00 57.88 57.37 3kzg h LEU 191 Cb 0.44 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3kzg h LEU 191 CO 0.02 1.60 -0.70 0.00 -1.08 0.00 0.00 178.44 178.28 3kzg n ILE 192 N -4.07 0.05 0.00 1.22 3.06 -0.31 -5.08 119.36 114.24 3kzg n ILE 192 Ca -0.30 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 3kzg n ILE 192 Cb 0.82 0.36 0.00 0.00 0.54 0.00 0.00 39.64 41.37 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 1.47 1.22 3.81 4.50 0.00 0.10 -4.99 105.19 111.29 3kzg n GLY 193 Ca 0.04 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3kzg n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kzg s LYS 194 N -3.97 3.14 -0.14 1.61 1.02 -1.23 -4.51 119.74 115.66 3kzg s LYS 194 Ca 0.00 1.11 0.19 0.00 0.02 0.00 0.00 55.97 57.29 3kzg s LYS 194 Cb 0.00 -2.01 -0.28 0.00 -0.52 0.00 0.00 37.83 35.02 3kzg s LYS 194 CO 0.00 -0.95 0.21 1.17 -0.92 0.00 0.00 175.35 174.86 3kzg n LYS 195 N -2.48 0.70 -4.42 1.68 4.81 -1.20 -4.75 118.16 112.50 3kzg n LYS 195 Ca 0.08 -0.07 -0.25 0.00 -0.87 0.00 0.00 58.31 57.20 3kzg n LYS 195 Cb 0.53 -1.51 -0.09 0.00 0.02 0.00 0.00 35.03 33.97 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 -2.83 2.48 -0.11 5.64 2.02 -1.26 -0.82 117.35 122.47 3kzg s TYR 196 Ca -0.09 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.03 3kzg s TYR 196 Cb 0.09 -1.39 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 3kzg s TYR 196 CO 0.85 0.54 0.37 -1.59 -1.57 0.00 0.00 175.55 174.15 3kzg s LYS 197 N -3.66 0.51 0.19 -0.62 -2.85 -0.36 -4.56 119.74 108.38 3kzg s LYS 197 Ca 0.33 0.36 -0.20 0.00 -1.00 0.00 0.00 55.97 55.46 3kzg s LYS 197 Cb 0.00 0.24 -0.08 0.00 -2.06 0.00 0.00 37.83 35.93 3kzg s LYS 197 CO 0.18 -0.09 0.69 -0.51 0.10 0.00 0.00 175.35 175.72 3kzg s LEU 198 N -0.18 4.39 -0.25 2.77 1.43 -1.26 -1.75 118.68 123.84 3kzg s LEU 198 Ca -0.03 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.43 3kzg s LEU 198 Cb -0.03 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.77 3kzg s LEU 198 CO 0.02 0.09 -0.05 -0.63 0.23 0.00 0.00 176.35 176.01 3kzg s ILE 199 N -1.42 3.06 0.11 -0.59 -1.09 -0.02 -4.97 121.20 116.28 3kzg s ILE 199 Ca 0.40 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 3kzg s ILE 199 Cb -0.18 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 3kzg s ILE 199 CO 0.21 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 3kzg n GLY 200 N 4.71 -1.69 3.92 6.18 0.00 -1.26 -4.05 105.19 113.00 3kzg n GLY 200 Ca -0.17 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.70 1.98 0.68 1.61 1.02 -1.26 -4.86 119.74 117.21 3kzg s LYS 201 Ca 0.00 -0.13 -0.16 0.00 0.02 0.00 0.00 55.97 55.70 3kzg s LYS 201 Cb 0.00 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3kzg s LYS 201 CO 0.00 -1.48 1.16 -1.59 -0.92 0.00 0.00 175.35 172.52 3kzg s LYS 202 N -5.43 2.56 -0.13 1.68 -2.85 -1.26 -4.77 119.74 109.54 3kzg s LYS 202 Ca 0.62 1.59 0.02 0.00 -1.00 0.00 0.00 55.97 57.20 3kzg s LYS 202 Cb -0.10 -1.90 -0.00 0.00 -2.06 0.00 0.00 37.83 33.76 3kzg s LYS 202 CO 0.47 -1.48 -0.19 0.42 0.10 0.00 0.00 175.35 174.67 3kzg s ILE 203 N -2.10 2.47 0.11 3.79 -1.09 0.11 -4.92 121.20 119.58 3kzg s ILE 203 Ca 0.71 -0.86 -0.31 0.00 -2.23 0.00 0.00 60.65 57.96 3kzg s ILE 203 Cb -0.25 -2.00 -0.08 0.00 -1.58 0.00 0.00 42.46 38.55 3kzg s ILE 203 CO 0.42 0.54 1.43 -0.55 -1.23 0.00 0.00 174.94 175.55 3kzg s SER 204 N 0.51 6.78 -0.11 3.58 0.15 -1.26 0.68 113.70 124.02 3kzg s SER 204 Ca -0.12 2.37 -0.06 0.00 0.70 0.00 0.00 55.95 58.84 3kzg s SER 204 Cb -0.17 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 3kzg s SER 204 CO 0.05 -0.70 0.26 -0.51 1.20 0.00 0.00 173.24 173.54 3kzg s ILE 205 N 1.27 -0.04 0.00 6.45 2.07 -0.96 -4.86 121.20 125.13 3kzg s ILE 205 Ca 0.66 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 3kzg s ILE 205 Cb -0.38 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 41.81 3kzg s ILE 205 CO 0.30 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 174.00 3kzg n GLY 206 N 4.14 -1.75 1.18 1.50 0.00 -1.26 -4.44 105.19 104.56 3kzg n GLY 206 Ca -0.24 -1.30 -0.05 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 -0.61 1.98 0.00 1.61 1.02 -0.32 -4.87 120.64 119.44 3kzg n GLU 207 Ca 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 57.16 53.82 3kzg n GLU 207 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.08 2.53 3.74 0.62 0.00 -1.26 -4.74 105.19 104.99 3kzg n GLY 208 Ca 0.33 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.79 3.82 0.19 1.61 2.02 -1.26 -1.30 117.35 119.64 3kzg s TYR 209 Ca 0.00 1.70 -0.09 0.00 -0.37 0.00 0.00 57.07 58.31 3kzg s TYR 209 Cb 0.00 -2.94 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 3kzg s TYR 209 CO 0.00 0.29 0.32 0.45 -1.57 0.00 0.00 175.55 175.04 3kzg s SER 210 N -0.29 0.02 0.81 2.29 0.15 -1.26 -0.80 113.70 114.61 3kzg s SER 210 Ca 0.42 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 3kzg s SER 210 Cb -0.23 0.47 0.14 0.00 -1.71 0.00 0.00 66.02 64.69 3kzg s SER 210 CO 0.28 -0.95 1.12 -0.63 1.20 0.00 0.00 173.24 174.25 3kzg s ILE 211 N -4.01 2.12 0.00 6.45 1.01 -1.26 -4.70 121.20 120.80 3kzg s ILE 211 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3kzg s ILE 211 Cb 0.03 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3kzg s ILE 211 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.98 3kzg n ALA 213 N -3.20 0.00 -1.80 9.38 0.00 -0.24 -1.00 120.51 123.65 3kzg n ALA 213 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 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 6.68 0.45 0.00 0.02 -1.26 -1.00 114.94 119.82 3kzg s ASN 214 Ca 0.00 1.84 0.26 0.00 -1.02 0.00 0.00 52.86 53.94 3kzg s ASN 214 Cb 0.00 -2.56 1.29 0.00 0.02 0.00 0.00 41.25 40.01 3kzg s ASN 214 CO 0.00 -0.55 1.75 -0.65 0.02 0.00 0.00 177.10 177.67 3kzg h PRO 215 N 1.89 0.22 -0.01 -0.60 0.11 -1.90 -0.60 132.00 131.11 3kzg h PRO 215 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kzg h PRO 215 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kzg h PRO 215 CO 0.60 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3kzg n ASP 216 N -4.50 0.06 -1.67 -2.05 5.68 -1.26 -3.53 116.55 109.28 3kzg n ASP 216 Ca 0.28 -1.70 -0.08 0.00 -0.50 0.00 0.00 54.79 52.79 3kzg n ASP 216 Cb 1.10 -0.01 0.24 0.00 -1.14 0.00 0.00 41.12 41.31 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 -0.61 2.73 0.17 0.11 6.02 -0.23 -4.64 117.38 120.93 3kzg n GLN 217 Ca 0.08 -3.07 0.14 0.00 -0.01 0.00 0.00 57.00 54.14 3kzg n GLN 217 Cb 0.04 -2.05 0.72 0.00 1.02 0.00 0.00 30.24 29.97 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 1.68 0.00 -0.29 1.08 -5.15 -1.77 -1.50 116.94 111.00 3kzg h PHE 218 Ca 0.31 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.01 3kzg h PHE 218 Cb 2.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.32 3kzg h PHE 218 CO 1.18 0.00 -0.09 0.28 -2.00 0.00 0.00 178.31 177.69 3kzg h VAL 219 N 0.00 1.29 -0.44 0.88 2.07 -1.92 -1.14 116.25 116.98 3kzg h VAL 219 Ca 0.09 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 3kzg h VAL 219 Cb 0.41 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3kzg h VAL 219 CO -0.00 0.36 0.03 0.25 0.02 0.00 0.00 177.57 178.23 3kzg h LEU 220 N 0.32 0.74 -0.89 2.57 5.85 -1.71 -2.51 115.31 119.67 3kzg h LEU 220 Ca 0.07 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3kzg h LEU 220 Cb 0.57 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kzg h LEU 220 CO 0.03 0.84 0.57 0.40 -0.34 0.00 0.00 178.44 179.95 3kzg h ILE 221 N 0.61 1.23 -0.70 4.05 1.08 -1.25 -1.38 117.51 121.15 3kzg h ILE 221 Ca 0.13 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 3kzg h ILE 221 Cb 0.45 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.11 3kzg h ILE 221 CO 0.02 0.23 0.27 0.11 -0.69 0.00 0.00 178.15 178.09 3kzg h LYS 222 N 1.21 1.04 -0.33 2.37 1.57 -1.03 0.01 116.57 121.42 3kzg h LYS 222 Ca 0.32 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 3kzg h LYS 222 Cb -0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 3kzg h LYS 222 CO -0.07 0.85 -0.28 0.87 -0.57 0.00 0.00 179.45 180.26 3kzg h LYS 223 N 1.02 0.68 -0.15 3.15 1.57 -1.00 -2.52 116.57 119.32 3kzg h LYS 223 Ca 0.24 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3kzg h LYS 223 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3kzg h LYS 223 CO -0.02 0.88 -0.36 0.82 -0.57 0.00 0.00 179.45 180.20 3kzg h ILE 224 N 0.58 1.29 -0.26 1.86 2.04 -0.65 -2.23 117.51 120.15 3kzg h ILE 224 Ca 0.07 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 3kzg h ILE 224 Cb 0.77 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3kzg h ILE 224 CO 0.06 0.43 0.02 0.78 0.00 0.00 0.00 178.15 179.45 3kzg h ASN 225 N 0.27 0.43 -0.65 1.72 2.35 -0.72 -0.41 115.58 118.56 3kzg h ASN 225 Ca 0.03 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3kzg h ASN 225 Cb 0.77 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3kzg h ASN 225 CO 0.06 0.61 0.40 0.11 -1.65 0.00 0.00 177.43 176.96 3kzg h LYS 226 N 0.23 0.76 -0.71 0.81 1.57 -1.32 -0.97 116.57 116.94 3kzg h LYS 226 Ca 0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3kzg h LYS 226 Cb 0.38 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3kzg h LYS 226 CO 0.01 0.50 0.47 0.82 -0.57 0.00 0.00 179.45 180.68 3kzg h ILE 227 N 0.78 1.17 -0.75 1.86 1.08 -1.16 -0.65 117.51 119.84 3kzg h ILE 227 Ca 0.26 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3kzg h ILE 227 Cb 0.03 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 33.88 3kzg h ILE 227 CO -0.11 0.17 0.34 -0.07 -0.69 0.00 0.00 178.15 177.79 3kzg h LEU 228 N 0.95 0.99 -0.47 1.44 3.38 -0.41 -2.64 115.31 118.55 3kzg h LEU 228 Ca 0.26 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kzg h LEU 228 Cb -0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3kzg h LEU 228 CO -0.06 0.85 -0.13 -0.07 0.09 0.00 0.00 178.44 179.11 3kzg h LEU 229 N 1.07 0.93 -2.49 1.67 3.38 -0.58 -2.10 115.31 117.19 3kzg h LEU 229 Ca 0.26 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kzg h LEU 229 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3kzg h LEU 229 CO -0.03 1.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.97 3kzg n GLU 230 N -4.22 0.44 0.00 1.13 1.02 -0.31 -1.47 120.64 117.24 3kzg n GLU 230 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kzg n GLU 230 Cb 0.40 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 1.10 0.00 0.06 3.49 1.02 -0.79 -1.81 120.64 123.70 3kzg n GLU 232 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3kzg n GLU 232 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.47 -0.65 0.62 0.00 -1.53 -3.34 119.26 114.83 3kzg h ALA 233 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3kzg h ALA 233 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kzg h ALA 233 CO 0.00 1.20 0.00 -0.40 0.00 0.00 0.00 179.25 180.05 3kzg n ASP 234 N -3.27 3.77 0.00 0.00 5.68 -0.75 -4.96 116.55 117.01 3kzg n ASP 234 Ca -0.02 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 3kzg n ASP 234 Cb 0.92 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 1.62 2.13 0.19 6.12 0.00 -1.25 -4.91 105.19 109.09 3kzg n GLY 235 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 1.16 -0.35 2.61 2.02 -1.89 -1.75 112.91 114.71 3kzg h THR 236 Ca 0.00 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3kzg h THR 236 Cb 0.00 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3kzg h THR 236 CO 0.00 0.17 0.18 0.22 0.37 0.00 0.00 175.52 176.46 3kzg h TYR 237 N 0.54 0.50 -0.43 3.16 5.03 -1.90 -2.31 116.97 121.56 3kzg h TYR 237 Ca 0.15 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.44 3kzg h TYR 237 Cb 0.06 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3kzg h TYR 237 CO -0.02 0.41 0.28 1.25 -1.32 0.00 0.00 178.16 178.76 3kzg h LEU 238 N 0.44 0.51 -0.18 2.82 5.85 -1.86 -0.10 115.31 122.78 3kzg h LEU 238 Ca 0.12 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3kzg h LEU 238 Cb 0.09 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3kzg h LEU 238 CO -0.02 0.39 0.03 -0.09 -0.34 0.00 0.00 178.44 178.41 3kzg h ARG 239 N 0.58 0.10 0.05 1.25 2.43 -1.19 0.64 114.38 118.25 3kzg h ARG 239 Ca 0.16 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3kzg h ARG 239 Cb -0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3kzg h ARG 239 CO -0.03 0.07 -0.03 1.25 -1.51 0.00 0.00 179.97 179.72 3kzg h LEU 240 N 0.10 -0.06 -0.64 3.80 5.85 -1.22 -2.37 115.31 120.77 3kzg h LEU 240 Ca 0.08 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.72 3kzg h LEU 240 Cb 0.08 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3kzg h LEU 240 CO -0.11 0.15 0.27 0.22 -0.34 0.00 0.00 178.44 178.62 3kzg h TYR 241 N -0.26 0.47 -0.15 1.25 3.20 -0.83 -1.91 116.97 118.73 3kzg h TYR 241 Ca -0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3kzg h TYR 241 Cb 0.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3kzg h TYR 241 CO -0.01 0.13 -0.24 0.66 -1.64 0.00 0.00 178.16 177.07 3kzg h SER 242 N 0.46 0.26 0.15 -2.11 4.64 -0.78 0.86 113.55 117.03 3kzg h SER 242 Ca 0.32 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 3kzg h SER 242 Cb 0.38 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kzg h SER 242 CO -0.30 0.50 -0.12 -0.33 -0.87 0.00 0.00 176.83 175.72 3kzg h GLU 243 N 0.24 0.00 0.00 4.77 5.08 -0.80 -3.27 114.58 120.60 3kzg h GLU 243 Ca 0.04 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.99 3kzg h GLU 243 Cb 0.55 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 3kzg h GLU 243 CO 0.04 0.12 -2.49 0.66 -1.00 0.00 0.00 179.01 176.34 3kzg n TYR 244 N -4.25 0.03 0.16 4.33 4.01 -0.94 -5.13 117.16 115.37 3kzg n TYR 244 Ca -0.03 0.01 0.02 0.00 -0.16 0.00 0.00 57.90 57.74 3kzg n TYR 244 Cb 0.20 -1.00 0.02 0.00 -0.31 0.00 0.00 39.34 38.24 3kzg n TYR 244 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59