#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzg s LEU 19 N 0.00 3.77 -0.11 1.04 2.96 -1.26 -5.00 118.68 120.08 3kzg s LEU 19 Ca 0.00 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3kzg s LEU 19 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 3kzg s LEU 19 CO 0.00 -1.17 -0.18 0.20 -1.32 0.00 0.00 176.35 173.87 3kzg s ASN 20 N 2.85 3.58 -0.05 3.68 0.02 -1.26 -0.55 114.94 123.20 3kzg s ASN 20 Ca 0.54 -0.42 0.06 0.00 -1.02 0.00 0.00 52.86 52.03 3kzg s ASN 20 Cb -0.13 -1.40 -0.01 0.00 0.02 0.00 0.00 41.25 39.72 3kzg s ASN 20 CO 0.26 0.18 -0.25 -0.76 0.02 0.00 0.00 177.10 176.56 3kzg s LEU 21 N 0.21 2.06 -0.20 0.60 1.43 -0.82 -4.91 118.68 117.06 3kzg s LEU 21 Ca -0.12 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3kzg s LEU 21 Cb -0.16 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 3kzg s LEU 21 CO 0.06 0.25 -0.05 -0.89 0.23 0.00 0.00 176.35 175.95 3kzg s THR 22 N -0.23 3.40 -0.18 5.49 2.01 -1.26 -1.83 115.64 123.03 3kzg s THR 22 Ca -0.01 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3kzg s THR 22 Cb -0.13 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 3kzg s THR 22 CO 0.03 0.45 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.74 3kzg s ILE 23 N 1.16 3.70 -0.04 1.82 1.09 0.11 -0.11 121.20 128.93 3kzg s ILE 23 Ca 0.02 -0.41 -0.21 0.00 -1.10 0.00 0.00 60.65 58.95 3kzg s ILE 23 Cb -0.14 -2.65 -0.05 0.00 -1.06 0.00 0.00 42.46 38.56 3kzg s ILE 23 CO -0.01 0.46 0.61 -0.83 -0.10 0.00 0.00 174.94 175.07 3kzg s GLY 24 N 0.81 2.59 0.16 6.18 0.00 0.34 -0.96 107.32 116.44 3kzg s GLY 24 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 3kzg s GLY 24 CO 0.02 0.88 0.07 -1.08 0.00 0.00 0.00 173.10 172.98 3kzg s THR 25 N 0.19 0.18 0.74 0.90 -1.32 -0.66 -1.54 115.64 114.13 3kzg s THR 25 Ca 0.32 -1.94 -0.11 0.00 -1.21 0.00 0.00 61.69 58.75 3kzg s THR 25 Cb -0.18 -2.18 0.05 0.00 -1.51 0.00 0.00 72.50 68.68 3kzg s THR 25 CO 0.17 -0.35 1.10 -0.94 -2.21 0.00 0.00 174.62 172.39 3kzg s SER 26 N -3.10 4.99 0.11 8.08 1.04 -1.26 -0.11 113.70 123.45 3kzg s SER 26 Ca 0.28 0.87 0.01 0.00 0.48 0.00 0.00 55.95 57.58 3kzg s SER 26 Cb 0.07 -1.54 -0.21 0.00 0.10 0.00 0.00 66.02 64.44 3kzg s SER 26 CO 0.05 -1.58 1.23 0.11 0.98 0.00 0.00 173.24 174.03 3kzg h LYS 27 N -0.77 0.17 -0.96 4.02 1.57 -1.72 -3.41 116.57 115.47 3kzg h LYS 27 Ca -0.45 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.15 3kzg h LYS 27 Cb 1.29 0.10 -0.21 0.00 0.08 0.00 0.00 32.23 33.49 3kzg h LYS 27 CO 0.64 1.10 -0.27 0.12 -0.57 0.00 0.00 179.45 180.47 3kzg s PHE 28 N -2.78 -1.60 -0.47 -1.35 5.36 -1.26 -1.25 117.98 114.64 3kzg s PHE 28 Ca -0.02 1.55 0.05 0.00 -0.96 0.00 0.00 56.93 57.54 3kzg s PHE 28 Cb 0.09 0.50 0.25 0.00 -0.34 0.00 0.00 43.02 43.52 3kzg s PHE 28 CO 0.85 -0.89 0.94 -1.71 -1.46 0.00 0.00 175.22 172.96 3kzg n ASN 29 N 5.43 -2.66 -4.75 6.13 5.15 0.08 -4.45 115.26 120.19 3kzg n ASN 29 Ca -0.00 -3.08 -0.38 0.00 -0.60 0.00 0.00 54.58 50.52 3kzg n ASN 29 Cb 0.52 1.67 0.04 0.00 -0.53 0.00 0.00 39.78 41.48 3kzg n ASN 29 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kzg s PRO 30 N 0.61 3.03 0.00 1.20 0.04 -1.20 -1.68 135.00 137.00 3kzg s PRO 30 Ca 0.31 2.16 0.19 0.00 0.04 0.00 0.00 61.00 63.70 3kzg s PRO 30 Cb 0.23 -2.16 0.72 0.00 0.04 0.00 0.00 34.50 33.33 3kzg s PRO 30 CO -0.22 -1.25 1.52 -0.35 0.04 0.00 0.00 177.00 176.73 3kzg n PRO 31 N -1.22 1.62 -0.05 0.56 -0.04 -1.26 -4.37 135.00 130.24 3kzg n PRO 31 Ca 0.12 -0.93 -0.12 0.00 -0.04 0.00 0.00 63.50 62.52 3kzg n PRO 31 Cb 0.46 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.82 0.28 -1.71 0.54 0.04 -1.67 -1.34 116.94 114.90 3kzg h PHE 32 Ca 0.00 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3kzg h PHE 32 Cb 0.40 -0.07 -0.23 0.00 2.20 0.00 0.00 35.95 38.25 3kzg h PHE 32 CO 0.10 0.50 0.39 -1.83 -0.60 0.00 0.00 178.31 176.88 3kzg s GLU 33 N -4.89 0.68 -0.06 1.51 1.03 -1.10 -1.01 118.70 114.86 3kzg s GLU 33 Ca -0.14 0.45 -0.02 0.00 0.03 0.00 0.00 54.97 55.28 3kzg s GLU 33 Cb 0.05 0.32 0.04 0.00 -0.80 0.00 0.00 34.13 33.74 3kzg s GLU 33 CO 0.72 -0.15 0.10 0.08 -1.33 0.00 0.00 175.26 174.67 3kzg s VAL 34 N -0.44 -0.16 -0.32 1.83 1.01 -0.03 -0.74 120.40 121.56 3kzg s VAL 34 Ca -0.01 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 3kzg s VAL 34 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 3kzg s VAL 34 CO 0.00 0.16 0.16 0.86 0.00 0.00 0.00 175.10 176.27 3kzg s TRP 35 N 2.07 3.19 -1.24 5.22 -0.00 -0.38 -2.12 118.94 125.67 3kzg s TRP 35 Ca 0.02 -0.65 0.27 0.00 -0.00 0.00 0.00 56.10 55.75 3kzg s TRP 35 Cb -0.12 -2.36 0.93 0.00 -0.00 0.00 0.00 33.47 31.92 3kzg s TRP 35 CO -0.04 -0.49 1.70 0.43 -0.00 0.00 0.00 176.95 178.55 3kzg n SER 36 N 4.98 0.39 0.00 5.86 7.64 -1.23 -4.89 113.62 126.37 3kzg n SER 36 Ca -0.14 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.56 3kzg n SER 36 Cb 0.49 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.42 1.30 0.00 0.23 0.00 -1.26 -4.86 105.19 102.02 3kzg n GLY 37 Ca 0.09 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3kzg n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kzg n ASN 38 N 0.00 0.00 -0.72 1.61 4.13 -1.26 -2.02 115.26 117.00 3kzg n ASN 38 Ca 0.00 0.60 0.00 0.00 1.68 0.00 0.00 54.58 56.86 3kzg n ASN 38 Cb 0.00 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 3kzg n ASN 38 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3kzg n ASN 39 N -0.95 1.35 -4.66 6.41 2.85 -1.26 -4.70 115.26 114.31 3kzg n ASN 39 Ca 0.00 -1.44 -0.30 0.00 -0.11 0.00 0.00 54.58 52.73 3kzg n ASN 39 Cb 0.00 -0.36 -0.09 0.00 1.24 0.00 0.00 39.78 40.57 3kzg n ASN 39 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3kzg s SER 40 N 0.28 4.84 0.64 1.20 0.01 -0.86 -5.12 113.70 114.70 3kzg s SER 40 Ca 0.00 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 56.93 3kzg s SER 40 Cb 0.00 -1.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.13 3kzg s SER 40 CO 0.00 0.18 1.01 -0.55 0.41 0.00 0.00 173.24 174.29 3kzg s SER 41 N -2.27 5.71 -0.05 2.44 0.15 -1.26 -4.53 113.70 113.89 3kzg s SER 41 Ca 0.24 1.08 0.01 0.00 0.70 0.00 0.00 55.95 57.98 3kzg s SER 41 Cb -0.11 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 3kzg s SER 41 CO 0.17 -1.12 -0.06 -0.76 1.20 0.00 0.00 173.24 172.67 3kzg s LEU 42 N -5.19 3.21 0.05 3.45 1.43 -1.26 -3.49 118.68 116.88 3kzg s LEU 42 Ca 0.56 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 3kzg s LEU 42 Cb -0.11 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3kzg s LEU 42 CO 0.50 0.34 0.04 -0.72 0.23 0.00 0.00 176.35 176.74 3kzg s TYR 43 N -0.87 0.33 0.00 0.29 -0.85 -0.90 -4.98 117.35 110.37 3kzg s TYR 43 Ca 0.14 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 3kzg s TYR 43 Cb -0.11 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 41.99 3kzg s TYR 43 CO 0.03 -0.37 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 3kzg n GLY 44 N 0.53 3.32 0.17 5.49 0.00 -1.26 -0.85 105.19 112.59 3kzg n GLY 44 Ca -0.17 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 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 0.19 -0.80 1.61 3.57 -0.91 -1.17 116.94 119.42 3kzg h PHE 45 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3kzg h PHE 45 Cb 0.00 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3kzg h PHE 45 CO 0.00 0.05 0.50 -0.44 -2.23 0.00 0.00 178.31 176.19 3kzg h ASP 46 N 0.25 0.82 0.50 0.41 3.32 -1.32 -0.71 116.42 119.70 3kzg h ASP 46 Ca 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3kzg h ASP 46 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kzg h ASP 46 CO -0.23 0.56 -0.33 0.40 -1.72 0.00 0.00 179.24 177.92 3kzg h ILE 47 N 0.97 0.32 -0.73 0.35 1.08 -1.46 -2.97 117.51 115.07 3kzg h ILE 47 Ca 0.32 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.84 3kzg h ILE 47 Cb 0.04 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.06 3kzg h ILE 47 CO -0.12 0.00 0.44 0.44 -0.69 0.00 0.00 178.15 178.21 3kzg h ASP 48 N -0.80 0.68 0.00 1.72 3.32 -1.02 -0.99 116.42 119.33 3kzg h ASP 48 Ca -0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kzg h ASP 48 Cb 0.66 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3kzg h ASP 48 CO 0.04 0.45 0.00 -0.11 -1.72 0.00 0.00 179.24 177.90 3kzg n LEU 49 N -4.70 0.24 0.00 1.55 7.94 -0.29 -1.92 117.00 119.82 3kzg n LEU 49 Ca 0.09 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3kzg n LEU 49 Cb 0.15 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.02 3kzg n LEU 49 CO 0.31 0.05 0.00 0.00 -1.11 0.00 0.00 177.39 176.64 3kzg n GLN 51 N 0.54 0.00 -0.06 1.96 6.02 -0.38 -1.62 117.38 123.85 3kzg n GLN 51 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 3kzg n GLN 51 Cb 0.05 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.26 3kzg n GLN 51 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3kzg h GLU 52 N 0.00 0.31 -1.00 -1.09 4.57 -1.64 -1.84 114.58 113.90 3kzg h GLU 52 Ca 0.00 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3kzg h GLU 52 Cb 0.00 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 3kzg h GLU 52 CO 0.00 0.42 0.65 0.82 -1.18 0.00 0.00 179.01 179.72 3kzg h ILE 53 N 0.15 1.18 -0.56 2.32 2.04 -1.57 -2.03 117.51 119.03 3kzg h ILE 53 Ca 0.06 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 3kzg h ILE 53 Cb 0.24 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 3kzg h ILE 53 CO -0.00 0.23 -0.07 0.00 0.00 0.00 0.00 178.15 178.31 3kzg h ARG 55 N 0.92 0.19 0.00 0.00 3.08 -0.80 0.39 114.38 118.16 3kzg h ARG 55 Ca 0.15 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3kzg h ARG 55 Cb 0.63 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3kzg h ARG 55 CO 0.04 0.13 -0.09 0.00 -1.07 0.00 0.00 179.97 178.98 3kzg h ARG 56 N 0.20 0.00 0.00 0.04 3.08 -1.07 0.77 114.38 117.40 3kzg h ARG 56 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kzg h ARG 56 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kzg h ARG 56 CO -0.16 0.09 -0.40 1.28 -1.07 0.00 0.00 179.97 179.71 3kzg n LEU 57 N -3.55 0.44 -2.65 3.04 4.77 -0.46 -4.93 117.00 113.65 3kzg n LEU 57 Ca -0.02 0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 3kzg n LEU 57 Cb 0.22 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3kzg n LEU 57 CO 0.29 0.06 0.17 1.41 -1.33 0.00 0.00 177.39 177.98 3kzg n HIS 58 N -1.63 -1.99 -4.79 -1.77 8.25 0.26 -5.02 115.22 108.53 3kzg n HIS 58 Ca 0.05 0.70 -0.29 0.00 -0.26 0.00 0.00 57.72 57.93 3kzg n HIS 58 Cb 0.36 -3.83 -0.14 0.00 1.12 0.00 0.00 29.99 27.49 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 -3.22 2.17 0.57 -1.41 0.00 -0.40 -4.53 121.76 114.93 3kzg s ALA 59 Ca 0.39 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 3kzg s ALA 59 Cb -0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3kzg s ALA 59 CO 0.51 0.51 1.05 0.95 0.00 0.00 0.00 175.76 178.78 3kzg s THR 60 N -0.84 3.80 -0.23 0.00 -4.23 0.29 -4.30 115.64 110.13 3kzg s THR 60 Ca 0.11 0.91 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 3kzg s THR 60 Cb -0.10 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.39 3kzg s THR 60 CO 0.03 -0.44 -0.11 0.00 -0.54 0.00 0.00 174.62 173.55 3kzg s THR 62 N 1.26 2.02 0.18 0.00 2.01 -0.76 -5.03 115.64 115.32 3kzg s THR 62 Ca -0.05 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 3kzg s THR 62 Cb -0.18 -1.88 -0.07 0.00 0.01 0.00 0.00 72.50 70.38 3kzg s THR 62 CO -0.07 0.44 0.51 -0.36 -0.69 0.00 0.00 174.62 174.45 3kzg s PHE 63 N 1.28 3.49 -0.07 4.92 0.08 -1.26 0.04 117.98 126.46 3kzg s PHE 63 Ca 0.03 0.86 -0.01 0.00 0.12 0.00 0.00 56.93 57.93 3kzg s PHE 63 Cb -0.14 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 3kzg s PHE 63 CO -0.12 0.36 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.14 3kzg s GLU 64 N -2.50 0.76 0.04 0.44 0.41 -0.13 -4.90 118.70 112.82 3kzg s GLU 64 Ca 0.43 0.04 -0.23 0.00 -0.41 0.00 0.00 54.97 54.79 3kzg s GLU 64 Cb -0.12 -1.04 -0.06 0.00 -1.78 0.00 0.00 34.13 31.13 3kzg s GLU 64 CO 0.21 -0.27 0.70 0.00 -0.49 0.00 0.00 175.26 175.40 3kzg s ALA 65 N 1.82 3.42 0.08 5.21 0.00 -1.26 -1.66 121.76 129.38 3kzg s ALA 65 Ca 0.03 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3kzg s ALA 65 Cb -0.12 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3kzg s ALA 65 CO -0.05 0.13 -0.10 0.71 0.00 0.00 0.00 175.76 176.45 3kzg s TYR 66 N -0.22 0.98 0.32 0.00 2.02 0.84 -4.86 117.35 116.43 3kzg s TYR 66 Ca 0.35 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 3kzg s TYR 66 Cb -0.20 -0.55 -0.11 0.00 -0.40 0.00 0.00 41.96 40.70 3kzg s TYR 66 CO 0.21 -0.02 1.48 0.42 -1.57 0.00 0.00 175.55 176.08 3kzg s ILE 67 N -1.92 2.28 0.18 2.71 1.01 -1.26 -1.93 121.20 122.27 3kzg s ILE 67 Ca -0.00 0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.63 3kzg s ILE 67 Cb -0.06 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.27 3kzg s ILE 67 CO 0.00 0.05 1.54 0.33 0.00 0.00 0.00 174.94 176.87 3kzg n PHE 68 N 1.38 -0.30 0.25 3.97 7.35 -1.26 -0.80 117.46 128.05 3kzg n PHE 68 Ca 0.04 1.24 0.15 0.00 -0.76 0.00 0.00 57.45 58.12 3kzg n PHE 68 Cb 0.39 -0.67 0.84 0.00 0.35 0.00 0.00 39.48 40.39 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 0.92 -2.13 -0.00 -1.84 -1.47 116.42 111.90 3kzg h ASP 69 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.24 3kzg h ASP 69 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 3kzg h ASP 69 CO -0.95 0.00 0.00 0.44 -0.00 0.00 0.00 179.24 178.73 3kzg h ASP 70 N 0.00 0.00 -0.52 2.28 5.19 -1.31 -3.24 116.42 118.82 3kzg h ASP 70 Ca 0.04 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 3kzg h ASP 70 Cb 0.19 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 3kzg h ASP 70 CO -0.00 0.00 0.16 -0.07 -3.12 0.00 0.00 179.24 176.21 3kzg h LEU 71 N 0.00 0.81 0.42 1.55 3.38 -1.27 -2.21 115.31 117.99 3kzg h LEU 71 Ca 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3kzg h LEU 71 Cb 0.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kzg h LEU 71 CO 0.00 0.78 -0.20 -0.26 0.09 0.00 0.00 178.44 178.85 3kzg h PHE 72 N 0.84 -0.52 -0.18 1.13 0.04 -1.76 -0.36 116.94 116.13 3kzg h PHE 72 Ca 0.19 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 3kzg h PHE 72 Cb 0.28 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 3kzg h PHE 72 CO 0.02 -0.24 -0.13 -1.00 -0.60 0.00 0.00 178.31 176.35 3kzg h PRO 73 N -0.72 0.29 -0.28 1.51 0.13 -1.76 -0.70 132.00 130.47 3kzg h PRO 73 Ca -0.06 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3kzg h PRO 73 Cb 0.51 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3kzg h PRO 73 CO 0.09 0.44 0.18 0.00 -0.23 0.00 0.00 178.00 178.48 3kzg h ALA 74 N 1.59 0.36 -0.18 -0.56 0.00 -1.21 0.25 119.26 119.50 3kzg h ALA 74 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kzg h ALA 74 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kzg h ALA 74 CO 0.02 -0.17 -0.00 1.25 0.00 0.00 0.00 179.25 180.35 3kzg h LEU 75 N 0.38 0.32 -1.34 0.00 5.85 -0.74 0.11 115.31 119.88 3kzg h LEU 75 Ca 0.10 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.55 3kzg h LEU 75 Cb -0.04 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3kzg h LEU 75 CO -0.02 0.56 0.48 0.11 -0.34 0.00 0.00 178.44 179.22 3kzg h LYS 76 N 0.07 0.80 -0.40 1.25 1.79 -0.91 -0.06 116.57 119.11 3kzg h LYS 76 Ca 0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kzg h LYS 76 Cb 0.40 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3kzg h LYS 76 CO 0.01 0.53 0.00 -1.71 -1.08 0.00 0.00 179.45 177.20 3kzg n ASN 77 N -4.47 1.48 -3.22 0.86 5.15 0.86 -4.90 115.26 111.02 3kzg n ASN 77 Ca 0.10 -2.08 -0.23 0.00 -0.60 0.00 0.00 54.58 51.77 3kzg n ASN 77 Cb 0.17 -0.26 0.01 0.00 -0.53 0.00 0.00 39.78 39.17 3kzg n ASN 77 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kzg n ARG 78 N 0.14 -4.11 0.15 1.20 3.00 -0.04 -4.85 116.66 112.16 3kzg n ARG 78 Ca 0.07 0.67 0.04 0.00 -0.01 0.00 0.00 57.85 58.62 3kzg n ARG 78 Cb 0.28 -5.45 0.10 0.00 0.00 0.00 0.00 32.46 27.39 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 -1.17 0.00 -4.73 5.56 5.08 -1.00 -3.45 114.58 114.87 3kzg h GLU 79 Ca -0.47 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.63 3kzg h GLU 79 Cb 1.32 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.41 3kzg h GLU 79 CO 0.55 0.46 -0.71 0.14 -1.00 0.00 0.00 179.01 178.45 3kzg s VAL 80 N -3.09 0.76 0.01 3.13 -7.23 -1.25 -4.99 120.40 107.74 3kzg s VAL 80 Ca 0.03 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 3kzg s VAL 80 Cb 0.08 -1.53 -0.25 0.00 0.56 0.00 0.00 36.38 35.24 3kzg s VAL 80 CO 0.73 -0.76 0.89 0.44 -0.31 0.00 0.00 175.10 176.08 3kzg h ASP 81 N 3.21 0.23 -5.26 4.85 3.32 -0.83 -3.44 116.42 118.50 3kzg h ASP 81 Ca -0.36 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.24 3kzg h ASP 81 Cb 1.18 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 3kzg h ASP 81 CO 0.60 1.28 -0.41 -0.76 -1.72 0.00 0.00 179.24 178.23 3kzg s LEU 82 N -6.75 1.32 -0.05 1.55 1.43 -1.15 -4.70 118.68 110.33 3kzg s LEU 82 Ca -0.07 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3kzg s LEU 82 Cb 0.08 0.93 0.02 0.00 0.03 0.00 0.00 46.19 47.25 3kzg s LEU 82 CO 0.84 -0.80 -0.07 -0.69 0.23 0.00 0.00 176.35 175.85 3kzg s VAL 83 N -3.95 0.77 -0.13 -1.59 1.01 -1.26 -0.50 120.40 114.74 3kzg s VAL 83 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3kzg s VAL 83 Cb 0.05 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.72 3kzg s VAL 83 CO -0.03 0.28 -0.00 -0.51 0.00 0.00 0.00 175.10 174.83 3kzg s ILE 84 N 0.88 0.60 -0.42 2.22 2.07 -0.59 -4.47 121.20 121.48 3kzg s ILE 84 Ca -0.11 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 3kzg s ILE 84 Cb -0.15 -0.87 0.22 0.00 0.13 0.00 0.00 42.46 41.79 3kzg s ILE 84 CO 0.01 0.08 0.98 0.00 -1.91 0.00 0.00 174.94 174.10 3kzg n ALA 85 N 5.05 -2.81 -1.02 1.50 0.00 -1.26 -4.27 120.51 117.70 3kzg n ALA 85 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3kzg n ALA 85 Cb 0.49 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 2.35 0.00 -3.66 0.00 3.41 -1.26 -4.94 113.62 109.52 3kzg n SER 86 Ca 0.11 0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 59.29 3kzg n SER 86 Cb 0.63 -1.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 3kzg n SER 86 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kzg s ILE 88 N -0.76 -0.01 -0.12 -1.33 1.01 -1.26 -4.93 121.20 113.79 3kzg s ILE 88 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 3kzg s ILE 88 Cb 0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3kzg s ILE 88 CO 0.00 0.01 1.39 -0.63 0.00 0.00 0.00 174.94 175.71 3kzg s ILE 89 N 1.32 4.04 0.10 2.92 1.01 -0.58 -4.92 121.20 125.09 3kzg s ILE 89 Ca -0.08 1.26 0.01 0.00 0.00 0.00 0.00 60.65 61.84 3kzg s ILE 89 Cb -0.06 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3kzg s ILE 89 CO -0.14 -0.11 -0.04 0.42 0.00 0.00 0.00 174.94 175.07 3kzg s THR 90 N 3.64 0.51 0.22 2.92 -4.23 -1.26 -0.89 115.64 116.55 3kzg s THR 90 Ca 0.61 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3kzg s THR 90 Cb -0.26 -1.72 0.17 0.00 1.34 0.00 0.00 72.50 72.04 3kzg s THR 90 CO 0.20 -0.83 1.87 0.44 -0.54 0.00 0.00 174.62 175.76 3kzg h ASP 91 N 2.98 0.84 -0.23 3.99 3.32 -1.99 -1.34 116.42 123.99 3kzg h ASP 91 Ca -0.35 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3kzg h ASP 91 Cb 1.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3kzg h ASP 91 CO 0.64 0.59 0.14 -0.33 -1.72 0.00 0.00 179.24 178.56 3kzg h GLU 92 N 0.99 0.31 -0.18 3.56 3.07 -1.99 -2.89 114.58 117.46 3kzg h GLU 92 Ca 0.30 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.01 3kzg h GLU 92 Cb -0.03 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3kzg h GLU 92 CO -0.10 0.25 -0.41 0.00 -1.40 0.00 0.00 179.01 177.36 3kzg h ARG 93 N 0.28 0.40 0.00 2.33 2.47 -1.89 -2.74 114.38 115.24 3kzg h ARG 93 Ca 0.08 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3kzg h ARG 93 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3kzg h ARG 93 CO -0.02 0.74 -0.01 0.87 0.56 0.00 0.00 179.97 182.12 3kzg h LYS 94 N 0.34 0.00 0.00 0.04 1.57 -1.05 0.17 116.57 117.63 3kzg h LYS 94 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3kzg h LYS 94 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3kzg h LYS 94 CO 0.07 0.01 -0.38 0.87 -0.57 0.00 0.00 179.45 179.46 3kzg h LYS 95 N 0.00 0.00 0.00 3.15 1.57 -1.29 -3.31 116.57 116.69 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 0.38 -0.73 0.72 -0.57 0.00 0.00 179.45 179.25 3kzg n HIS 96 N -3.68 0.00 -4.23 -1.35 8.25 -0.56 -5.06 115.22 108.58 3kzg n HIS 96 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 3kzg n HIS 96 Cb 0.47 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.00 1.26 0.31 4.41 0.08 -0.06 -4.45 117.98 117.54 3kzg s PHE 97 Ca 0.01 -1.33 0.10 0.00 0.12 0.00 0.00 56.93 55.83 3kzg s PHE 97 Cb 0.05 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.80 3kzg s PHE 97 CO 0.29 -0.56 -0.09 0.96 -0.10 0.00 0.00 175.22 175.72 3kzg s ILE 98 N -4.05 2.59 0.07 0.64 -4.36 -0.43 -4.31 121.20 111.35 3kzg s ILE 98 Ca 0.39 -2.18 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 3kzg s ILE 98 Cb 0.07 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 3kzg s ILE 98 CO 0.13 -0.30 -0.11 -0.36 0.24 0.00 0.00 174.94 174.53 3kzg s PHE 99 N -2.51 1.03 0.86 1.37 0.08 -1.26 -1.98 117.98 115.56 3kzg s PHE 99 Ca 0.32 -0.52 -0.14 0.00 0.12 0.00 0.00 56.93 56.71 3kzg s PHE 99 Cb -0.02 -0.58 0.20 0.00 -0.57 0.00 0.00 43.02 42.04 3kzg s PHE 99 CO 0.17 0.01 1.16 -1.13 -0.10 0.00 0.00 175.22 175.33 3kzg n SER 100 N 1.16 0.12 -4.76 1.36 3.41 -0.16 -4.97 113.62 109.78 3kzg n SER 100 Ca -0.20 -1.44 -0.39 0.00 -0.26 0.00 0.00 58.87 56.58 3kzg n SER 100 Cb 0.55 -0.89 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 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 4.04 0.49 1.04 1.43 -1.26 -4.63 118.68 119.79 3kzg s LEU 101 Ca 0.66 2.66 -0.23 0.00 -1.03 0.00 0.00 54.13 56.19 3kzg s LEU 101 Cb -0.02 -4.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 3kzg s LEU 101 CO 0.46 -1.14 1.24 -2.16 0.23 0.00 0.00 176.35 174.99 3kzg s PRO 102 N -2.58 3.54 -0.13 1.29 0.04 -1.26 -4.60 135.00 131.30 3kzg s PRO 102 Ca 0.63 1.96 0.16 0.00 0.04 0.00 0.00 61.00 63.79 3kzg s PRO 102 Cb -0.38 -2.36 0.61 0.00 0.04 0.00 0.00 34.50 32.41 3kzg s PRO 102 CO 0.47 -0.78 1.53 2.48 0.04 0.00 0.00 177.00 180.73 3kzg n TYR 103 N -0.66 1.25 -3.62 0.56 0.18 -0.21 -4.97 117.16 109.68 3kzg n TYR 103 Ca 0.08 -0.69 -0.37 0.00 1.88 0.00 0.00 57.90 58.80 3kzg n TYR 103 Cb 0.47 -0.27 -0.06 0.00 -0.38 0.00 0.00 39.34 39.10 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 -2.13 3.75 -0.22 -3.48 2.12 -1.26 -5.01 118.70 112.48 3kzg s GLU 105 Ca 0.44 0.22 -0.09 0.00 0.36 0.00 0.00 54.97 55.90 3kzg s GLU 105 Cb 0.31 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 3kzg s GLU 105 CO 0.17 0.70 0.12 -1.54 -0.54 0.00 0.00 175.26 174.17 3kzg s SER 106 N -1.18 5.92 -0.00 -1.70 1.04 -1.26 -4.63 113.70 111.88 3kzg s SER 106 Ca 0.23 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 3kzg s SER 106 Cb -0.15 -2.05 -0.00 0.00 0.10 0.00 0.00 66.02 63.92 3kzg s SER 106 CO 0.12 0.11 0.03 0.20 0.98 0.00 0.00 173.24 174.68 3kzg s ASN 107 N 0.78 0.07 0.45 7.02 -0.87 -1.26 -2.47 114.94 118.66 3kzg s ASN 107 Ca 0.06 -0.17 0.07 0.00 -1.57 0.00 0.00 52.86 51.25 3kzg s ASN 107 Cb -0.13 0.11 -0.01 0.00 -0.02 0.00 0.00 41.25 41.20 3kzg s ASN 107 CO 0.02 -0.17 0.32 -0.94 -2.57 0.00 0.00 177.10 173.76 3kzg s SER 108 N -0.73 4.74 -0.22 -1.22 1.04 0.49 -0.55 113.70 117.25 3kzg s SER 108 Ca -0.08 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 3kzg s SER 108 Cb -0.05 -0.27 0.06 0.00 0.10 0.00 0.00 66.02 65.86 3kzg s SER 108 CO -0.00 -0.74 0.55 -1.58 0.98 0.00 0.00 173.24 172.45 3kzg s GLN 109 N -4.10 0.59 0.16 4.02 2.00 -1.26 -0.95 119.66 120.12 3kzg s GLN 109 Ca 0.42 0.92 -0.25 0.00 -2.00 0.00 0.00 55.36 54.45 3kzg s GLN 109 Cb -0.01 0.16 -0.08 0.00 0.80 0.00 0.00 33.01 33.88 3kzg s GLN 109 CO 0.24 -0.12 0.78 0.71 -0.50 0.00 0.00 175.29 176.40 3kzg s TYR 110 N 1.05 3.91 0.01 1.67 2.02 -1.25 -4.36 117.35 120.40 3kzg s TYR 110 Ca -0.06 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.28 3kzg s TYR 110 Cb -0.06 -2.78 -0.01 0.00 -0.40 0.00 0.00 41.96 38.71 3kzg s TYR 110 CO -0.10 0.51 -0.02 -1.50 -1.57 0.00 0.00 175.55 172.87 3kzg s ILE 111 N -1.11 0.09 0.30 2.71 2.07 0.45 -1.16 121.20 124.56 3kzg s ILE 111 Ca 0.36 -0.65 -0.04 0.00 -1.41 0.00 0.00 60.65 58.91 3kzg s ILE 111 Cb -0.23 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 3kzg s ILE 111 CO 0.26 -0.35 0.42 0.28 -1.91 0.00 0.00 174.94 173.65 3kzg s THR 112 N -1.03 0.00 0.44 4.00 -1.32 -0.74 -0.49 115.64 116.50 3kzg s THR 112 Ca -0.11 -1.63 -0.24 0.00 -1.21 0.00 0.00 61.69 58.51 3kzg s THR 112 Cb -0.07 -2.52 -0.08 0.00 -1.51 0.00 0.00 72.50 68.32 3kzg s THR 112 CO -0.01 0.00 1.18 0.42 -2.21 0.00 0.00 174.62 174.01 3kzg s THR 113 N -3.42 3.05 0.48 5.08 -4.23 -1.26 -1.46 115.64 113.89 3kzg s THR 113 Ca 0.30 0.82 0.20 0.00 -1.18 0.00 0.00 61.69 61.83 3kzg s THR 113 Cb 0.01 -3.43 0.36 0.00 1.34 0.00 0.00 72.50 70.77 3kzg s THR 113 CO 0.17 0.02 1.99 1.62 -0.54 0.00 0.00 174.62 177.89 3kzg h VAL 114 N 2.03 0.81 0.00 2.29 3.04 -1.50 -1.24 116.25 121.68 3kzg h VAL 114 Ca -0.49 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3kzg h VAL 114 Cb 1.25 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3kzg h VAL 114 CO 0.61 0.03 -0.20 0.47 -1.01 0.00 0.00 177.57 177.48 3kzg n ASP 115 N -4.43 0.29 -4.70 3.17 10.43 -1.26 -4.92 116.55 115.13 3kzg n ASP 115 Ca 0.09 0.26 -0.40 0.00 2.57 0.00 0.00 54.79 57.31 3kzg n ASP 115 Cb 0.48 -0.26 0.02 0.00 1.84 0.00 0.00 41.12 43.20 3kzg n ASP 115 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 3kzg n SER 116 N -1.63 2.45 0.27 -2.24 2.88 -0.47 -4.89 113.62 109.99 3kzg n SER 116 Ca 0.06 1.07 0.17 0.00 -1.33 0.00 0.00 58.87 58.84 3kzg n SER 116 Cb 0.36 -1.50 0.64 0.00 -0.75 0.00 0.00 64.21 62.96 3kzg n SER 116 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kzg h LYS 117 N 1.89 0.00 -6.81 -1.46 1.79 -1.91 -3.44 116.57 106.63 3kzg h LYS 117 Ca -0.48 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.46 3kzg h LYS 117 Cb 1.30 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.01 3kzg h LYS 117 CO 0.59 0.00 0.69 0.42 -1.08 0.00 0.00 179.45 180.07 3kzg s ILE 118 N -3.63 2.71 0.00 1.86 1.01 -1.26 -4.88 121.20 117.00 3kzg s ILE 118 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3kzg s ILE 118 Cb 0.09 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3kzg s ILE 118 CO 0.55 0.13 0.00 -1.54 0.00 0.00 0.00 174.94 174.08 3kzg n SER 119 N 1.56 0.00 -3.89 3.58 3.41 -1.26 -5.05 113.62 111.97 3kzg n SER 119 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 3kzg n SER 119 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.00 0.00 0.22 6.66 -4.23 -1.26 -4.57 115.64 112.47 3kzg s THR 120 Ca 0.00 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 3kzg s THR 120 Cb 0.00 -2.45 0.19 0.00 1.34 0.00 0.00 72.50 71.58 3kzg s THR 120 CO 0.00 0.00 1.88 -0.26 -0.54 0.00 0.00 174.62 175.70 3kzg h PHE 121 N 2.39 1.11 -0.29 3.99 0.04 -2.00 -2.30 116.94 119.89 3kzg h PHE 121 Ca -0.31 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.50 3kzg h PHE 121 Cb 1.25 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 3kzg h PHE 121 CO 0.72 0.72 0.19 -0.44 -0.60 0.00 0.00 178.31 178.91 3kzg h ASP 122 N 1.17 0.21 0.81 2.17 3.32 -2.01 -0.67 116.42 121.42 3kzg h ASP 122 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3kzg h ASP 122 Cb -0.08 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kzg h ASP 122 CO -0.06 0.14 0.00 0.44 -1.72 0.00 0.00 179.24 178.04 3kzg h ASP 123 N 0.24 0.00 1.33 6.45 3.32 -1.82 -2.85 116.42 123.09 3kzg h ASP 123 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kzg h ASP 123 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kzg h ASP 123 CO -0.02 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.43 3kzg h LEU 124 N 0.00 0.00 -9.38 1.55 3.38 -1.14 -3.46 115.31 106.27 3kzg h LEU 124 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3kzg h LEU 124 Cb 0.41 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.21 3kzg h LEU 124 CO 0.00 0.00 0.73 1.41 0.09 0.00 0.00 178.44 180.67 3kzg n HIS 125 N -2.68 2.01 -1.28 1.13 8.25 -1.08 -1.83 115.22 119.75 3kzg n HIS 125 Ca 0.03 0.38 -0.10 0.00 -0.26 0.00 0.00 57.72 57.77 3kzg n HIS 125 Cb 0.38 -2.48 -0.04 0.00 1.12 0.00 0.00 29.99 28.97 3kzg n HIS 125 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kzg n GLY 126 N 3.28 1.12 3.92 -1.41 0.00 0.48 -5.02 105.19 107.57 3kzg n GLY 126 Ca 0.19 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.77 3.02 -0.18 1.61 -0.14 -0.76 -4.89 119.74 115.62 3kzg s LYS 127 Ca 0.00 -1.07 -0.20 0.00 -1.36 0.00 0.00 55.97 53.35 3kzg s LYS 127 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 3kzg s LYS 127 CO 0.00 0.19 0.57 0.15 -0.76 0.00 0.00 175.35 175.50 3kzg s LYS 128 N -4.03 4.23 -0.16 1.68 1.02 -1.26 -2.16 119.74 119.05 3kzg s LYS 128 Ca 0.40 0.53 -0.03 0.00 0.02 0.00 0.00 55.97 56.89 3kzg s LYS 128 Cb -0.08 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3kzg s LYS 128 CO 0.28 -0.15 -0.06 0.42 -0.92 0.00 0.00 175.35 174.92 3kzg s ILE 129 N 1.61 3.56 0.12 2.17 -1.09 0.22 -0.81 121.20 126.98 3kzg s ILE 129 Ca 0.27 -0.47 -0.26 0.00 -2.23 0.00 0.00 60.65 57.96 3kzg s ILE 129 Cb -0.16 -2.55 -0.07 0.00 -1.58 0.00 0.00 42.46 38.10 3kzg s ILE 129 CO 0.10 0.49 0.79 -0.83 -1.23 0.00 0.00 174.94 174.26 3kzg s GLY 130 N 0.56 2.88 0.02 6.18 0.00 0.59 -1.12 107.32 116.43 3kzg s GLY 130 Ca -0.04 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.04 3kzg s GLY 130 CO 0.03 0.99 -0.04 0.14 0.00 0.00 0.00 173.10 174.22 3kzg s VAL 131 N -0.68 0.31 -0.15 1.40 1.01 -0.24 -1.86 120.40 120.19 3kzg s VAL 131 Ca 0.38 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 3kzg s VAL 131 Cb -0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 3kzg s VAL 131 CO 0.25 -0.17 1.14 -0.60 0.00 0.00 0.00 175.10 175.72 3kzg s ARG 132 N -0.79 4.30 0.21 2.72 3.52 -1.26 -0.32 118.95 127.34 3kzg s ARG 132 Ca -0.05 1.53 -0.32 0.00 -0.13 0.00 0.00 55.73 56.76 3kzg s ARG 132 Cb -0.06 -3.64 -0.11 0.00 -1.56 0.00 0.00 34.95 29.58 3kzg s ARG 132 CO -0.00 -0.55 1.67 0.21 -0.81 0.00 0.00 175.30 175.82 3kzg s LYS 133 N 2.84 4.14 0.00 5.12 2.20 0.12 -2.59 119.74 131.57 3kzg s LYS 133 Ca 0.51 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 3kzg s LYS 133 Cb -0.20 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3kzg s LYS 133 CO 0.15 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 3kzg n GLY 134 N 3.63 2.13 3.91 5.54 0.00 -1.26 -3.68 105.19 115.45 3kzg n GLY 134 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.19 2.05 -1.47 2.61 -4.23 -1.07 -4.95 115.64 106.39 3kzg s THR 135 Ca 0.00 -0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.54 3kzg s THR 135 Cb 0.00 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 71.15 3kzg s THR 135 CO 0.00 0.00 1.15 -0.81 -0.54 0.00 0.00 174.62 174.42 3kzg n PRO 136 N -3.25 2.10 0.06 3.99 -0.04 -1.26 -4.31 135.00 132.29 3kzg n PRO 136 Ca 0.08 -1.21 -0.04 0.00 -0.04 0.00 0.00 63.50 62.28 3kzg n PRO 136 Cb 0.61 -1.48 0.16 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.78 0.41 -0.57 0.54 0.05 -1.92 -1.32 116.97 115.94 3kzg h TYR 137 Ca 0.00 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.61 3kzg h TYR 137 Cb 0.71 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 3kzg h TYR 137 CO 0.31 0.74 0.18 0.00 -1.05 0.00 0.00 178.16 178.34 3kzg h ALA 138 N 1.24 0.75 -0.73 3.88 0.00 -1.90 0.04 119.26 122.54 3kzg h ALA 138 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3kzg h ALA 138 Cb 0.91 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3kzg h ALA 138 CO 0.08 0.42 0.23 -0.09 0.00 0.00 0.00 179.25 179.88 3kzg h ARG 139 N 0.80 1.13 -0.16 0.00 2.43 -1.82 -2.24 114.38 114.52 3kzg h ARG 139 Ca 0.18 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3kzg h ARG 139 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3kzg h ARG 139 CO -0.01 0.97 0.06 0.37 -1.51 0.00 0.00 179.97 179.86 3kzg h GLN 140 N 1.08 0.23 -0.08 0.20 4.15 -0.86 -1.18 115.11 118.66 3kzg h GLN 140 Ca 0.23 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.65 3kzg h GLN 140 Cb 0.31 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 3kzg h GLN 140 CO -0.01 0.31 -0.19 0.28 -1.93 0.00 0.00 178.83 177.29 3kzg h VAL 141 N 0.10 0.53 0.00 2.39 2.07 -0.79 -2.19 116.25 118.36 3kzg h VAL 141 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3kzg h VAL 141 Cb 0.16 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3kzg h VAL 141 CO -0.00 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.33 3kzg h LEU 142 N -0.27 0.00 -0.97 2.57 3.38 -1.34 -2.29 115.31 116.39 3kzg h LEU 142 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3kzg h LEU 142 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kzg h LEU 142 CO -0.23 0.19 -0.20 0.77 0.09 0.00 0.00 178.44 179.05 3kzg h SER 143 N 0.00 0.00 0.80 -0.43 4.64 -0.61 -2.79 113.55 115.17 3kzg h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kzg h SER 143 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kzg h SER 143 CO 0.02 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 175.57 3kzg n GLU 144 N -3.31 0.16 -3.74 4.77 1.02 -0.86 -4.98 120.64 113.70 3kzg n GLU 144 Ca 0.01 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 3kzg n GLU 144 Cb 0.45 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.42 -4.95 -0.13 1.62 4.13 -1.05 -4.91 115.26 108.55 3kzg n ASN 145 Ca 0.10 -0.80 0.07 0.00 1.68 0.00 0.00 54.58 55.63 3kzg n ASN 145 Cb 0.29 -1.62 0.10 0.00 -1.54 0.00 0.00 39.78 37.02 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 -2.10 1.19 -3.50 3.52 1.74 -1.26 -5.00 116.66 111.25 3kzg n ARG 146 Ca -0.27 -2.21 -0.20 0.00 -0.77 0.00 0.00 57.85 54.39 3kzg n ARG 146 Cb 0.70 -1.29 0.06 0.00 -1.02 0.00 0.00 32.46 30.91 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 -1.12 -3.82 -4.84 0.55 5.15 -1.26 -0.38 115.26 109.54 3kzg n ASN 147 Ca 0.12 -0.78 -0.28 0.00 -0.60 0.00 0.00 54.58 53.04 3kzg n ASN 147 Cb 0.62 -4.51 -0.05 0.00 -0.53 0.00 0.00 39.78 35.30 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 -3.89 5.82 -0.19 1.20 0.01 -1.26 -2.61 114.94 114.00 3kzg s ASN 148 Ca 0.23 0.03 -0.07 0.00 -0.71 0.00 0.00 52.86 52.34 3kzg s ASN 148 Cb -0.05 -1.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 3kzg s ASN 148 CO 0.78 0.11 0.06 -1.58 -1.51 0.00 0.00 177.10 174.96 3kzg s GLN 149 N -2.81 3.88 -0.20 -0.60 0.74 -0.92 -4.96 119.66 114.79 3kzg s GLN 149 Ca 0.32 -0.39 -0.15 0.00 0.05 0.00 0.00 55.36 55.19 3kzg s GLN 149 Cb -0.11 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 3kzg s GLN 149 CO 0.25 0.17 0.35 0.08 -0.55 0.00 0.00 175.29 175.58 3kzg s VAL 150 N 0.65 5.24 -0.24 1.34 1.01 -1.26 -0.61 120.40 126.52 3kzg s VAL 150 Ca 0.03 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 3kzg s VAL 150 Cb -0.13 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3kzg s VAL 150 CO 0.02 0.28 0.02 -0.63 0.00 0.00 0.00 175.10 174.79 3kzg s ILE 151 N 1.19 3.86 0.02 2.22 -1.09 -0.28 -4.96 121.20 122.16 3kzg s ILE 151 Ca 0.17 -0.36 -0.24 0.00 -2.23 0.00 0.00 60.65 57.98 3kzg s ILE 151 Cb -0.14 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 3kzg s ILE 151 CO 0.07 0.35 0.74 -0.36 -1.23 0.00 0.00 174.94 174.51 3kzg s PHE 152 N 1.54 3.70 -0.07 3.97 0.08 -1.26 -1.08 117.98 124.86 3kzg s PHE 152 Ca 0.06 1.41 0.05 0.00 0.12 0.00 0.00 56.93 58.57 3kzg s PHE 152 Cb -0.15 -2.80 -0.00 0.00 -0.57 0.00 0.00 43.02 39.50 3kzg s PHE 152 CO 0.00 0.25 -0.22 0.71 -0.10 0.00 0.00 175.22 175.86 3kzg s TYR 153 N 0.08 2.24 0.15 0.36 2.02 0.56 -4.90 117.35 117.86 3kzg s TYR 153 Ca 0.38 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3kzg s TYR 153 Cb -0.20 -1.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.80 3kzg s TYR 153 CO 0.22 -0.28 1.34 0.93 -1.57 0.00 0.00 175.55 176.18 3kzg h GLU 154 N 6.40 0.22 -6.60 -0.62 5.08 -1.91 0.33 114.58 117.48 3kzg h GLU 154 Ca -0.28 -0.26 -0.69 0.00 -1.00 0.00 0.00 59.36 57.14 3kzg h GLU 154 Cb 1.20 0.08 -0.29 0.00 0.50 0.00 0.00 28.75 30.24 3kzg h GLU 154 CO 0.47 1.00 -0.88 -0.51 -1.00 0.00 0.00 179.01 178.09 3kzg s LEU 155 N -7.40 2.09 0.27 1.33 1.02 -1.26 -4.38 118.68 110.35 3kzg s LEU 155 Ca -0.03 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.59 3kzg s LEU 155 Cb 0.10 -1.30 0.43 0.00 0.02 0.00 0.00 46.19 45.44 3kzg s LEU 155 CO 0.84 0.29 1.87 0.40 0.02 0.00 0.00 176.35 179.77 3kzg h ILE 156 N 4.41 1.06 -0.19 -0.59 1.08 -1.88 -2.03 117.51 119.37 3kzg h ILE 156 Ca -0.44 -0.39 -0.09 0.00 -0.39 0.00 0.00 64.86 63.55 3kzg h ILE 156 Cb 1.13 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3kzg h ILE 156 CO 0.46 0.21 -0.28 1.56 -0.69 0.00 0.00 178.15 179.41 3kzg h GLN 157 N 1.13 0.35 -1.06 2.37 4.20 -1.96 -1.71 115.11 118.43 3kzg h GLN 157 Ca 0.44 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3kzg h GLN 157 Cb 0.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3kzg h GLN 157 CO -0.19 0.61 0.00 -0.25 -0.67 0.00 0.00 178.83 178.33 3kzg n ASP 158 N -4.12 0.94 0.00 1.46 10.43 -0.76 -1.67 116.55 122.83 3kzg n ASP 158 Ca -0.01 -0.89 0.00 0.00 2.57 0.00 0.00 54.79 56.46 3kzg n ASP 158 Cb 0.40 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 43.14 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 -0.13 0.64 4.77 -0.64 -0.08 117.00 122.12 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 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3kzg n LEU 160 CO 0.00 0.00 0.60 0.25 -1.33 0.00 0.00 177.39 176.91 3kzg h LEU 161 N 0.00 0.94 -0.95 2.23 5.85 -1.58 -1.20 115.31 120.60 3kzg h LEU 161 Ca 0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3kzg h LEU 161 Cb 0.00 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3kzg h LEU 161 CO 0.00 1.18 0.59 1.23 -0.34 0.00 0.00 178.44 181.10 3kzg h GLY 162 N 0.71 1.36 0.92 3.75 0.00 -0.74 0.13 103.07 109.21 3kzg h GLY 162 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3kzg h GLY 162 CO 0.08 0.53 0.13 -2.00 0.00 0.00 0.00 176.54 175.28 3kzg h LEU 163 N 1.30 0.38 -1.74 3.11 5.85 -1.75 0.15 115.31 122.62 3kzg h LEU 163 Ca 0.34 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3kzg h LEU 163 Cb -0.09 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3kzg h LEU 163 CO -0.07 0.42 -0.12 0.28 -0.34 0.00 0.00 178.44 178.61 3kzg h SER 164 N 0.32 0.00 -0.46 1.25 0.02 -0.59 -1.73 113.55 112.36 3kzg h SER 164 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kzg h SER 164 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kzg h SER 164 CO -0.01 0.12 0.00 0.59 -1.14 0.00 0.00 176.83 176.39 3kzg n ASN 165 N -3.44 3.07 -2.86 3.07 5.03 0.39 -4.92 115.26 115.60 3kzg n ASN 165 Ca -0.01 -2.18 -0.19 0.00 0.87 0.00 0.00 54.58 53.07 3kzg n ASN 165 Cb 0.28 -0.41 0.01 0.00 -1.02 0.00 0.00 39.78 38.63 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 0.79 -4.70 0.11 6.41 5.15 -0.65 -4.83 115.26 117.54 3kzg n ASN 166 Ca 0.17 -0.13 0.03 0.00 -0.60 0.00 0.00 54.58 54.05 3kzg n ASN 166 Cb 0.55 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 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 -0.65 0.00 -4.40 1.20 1.08 -0.92 -3.45 115.11 107.96 3kzg h GLN 167 Ca -0.42 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.54 3kzg h GLN 167 Cb 1.30 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.52 3kzg h GLN 167 CO 0.49 0.36 -0.72 0.14 -0.95 0.00 0.00 178.83 178.16 3kzg s VAL 168 N -3.00 0.42 -0.28 -0.54 -7.23 -1.23 -4.98 120.40 103.57 3kzg s VAL 168 Ca 0.02 -1.15 0.22 0.00 -1.81 0.00 0.00 61.98 59.25 3kzg s VAL 168 Cb 0.08 -0.66 0.10 0.00 0.56 0.00 0.00 36.38 36.45 3kzg s VAL 168 CO 0.76 -0.49 1.22 0.44 -0.31 0.00 0.00 175.10 176.73 3kzg h ASP 169 N 4.33 0.00 -5.19 4.85 3.32 -1.28 -3.42 116.42 119.03 3kzg h ASP 169 Ca -0.35 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.84 3kzg h ASP 169 Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 3kzg h ASP 169 CO 0.44 0.09 0.41 0.00 -1.72 0.00 0.00 179.24 178.45 3kzg s ALA 170 N -3.25 -1.54 0.01 3.45 0.00 -1.13 -4.68 121.76 114.61 3kzg s ALA 170 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.06 3kzg s ALA 170 Cb 0.08 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3kzg s ALA 170 CO 0.75 -1.02 -0.06 0.45 0.00 0.00 0.00 175.76 175.88 3kzg s SER 171 N -2.91 0.73 -0.10 0.00 0.15 0.36 -0.30 113.70 111.63 3kzg s SER 171 Ca 0.11 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 3kzg s SER 171 Cb -0.03 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 3kzg s SER 171 CO 0.03 0.01 -0.04 -0.22 1.20 0.00 0.00 173.24 174.21 3kzg s LEU 172 N -0.49 3.29 0.37 3.45 2.96 -0.78 -0.41 118.68 127.08 3kzg s LEU 172 Ca -0.01 -0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 3kzg s LEU 172 Cb -0.04 -1.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.81 3kzg s LEU 172 CO -0.00 0.29 1.17 -1.81 -1.32 0.00 0.00 176.35 174.68 3kzg s ASP 174 N -0.39 6.67 0.08 3.68 1.01 -1.26 -4.54 116.67 121.93 3kzg s ASP 174 Ca 0.06 2.36 -0.27 0.00 0.71 0.00 0.00 52.55 55.42 3kzg s ASP 174 Cb -0.12 -2.62 -0.16 0.00 1.01 0.00 0.00 42.92 41.03 3kzg s ASP 174 CO 0.02 -0.57 1.70 0.22 0.21 0.00 0.00 175.17 176.75 3kzg h TYR 175 N 2.89 -0.31 0.00 4.23 3.20 -1.05 -1.52 116.97 124.40 3kzg h TYR 175 Ca -0.48 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.36 3kzg h TYR 175 Cb 1.23 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 3kzg h TYR 175 CO 0.56 -0.19 -0.10 0.93 -1.64 0.00 0.00 178.16 177.71 3kzg h GLU 176 N -0.33 0.00 -0.18 1.82 4.39 -1.96 -1.05 114.58 117.27 3kzg h GLU 176 Ca -0.03 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 3kzg h GLU 176 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3kzg h GLU 176 CO 0.05 0.10 -0.41 0.00 -1.16 0.00 0.00 179.01 177.59 3kzg h ALA 177 N 1.90 0.29 -0.68 3.43 0.00 -1.69 -1.51 119.26 120.99 3kzg h ALA 177 Ca -0.00 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3kzg h ALA 177 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kzg h ALA 177 CO 0.01 0.40 0.45 0.00 0.00 0.00 0.00 179.25 180.11 3kzg h ALA 178 N 0.57 0.87 -0.77 0.00 0.00 -0.69 0.13 119.26 119.37 3kzg h ALA 178 Ca -0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kzg h ALA 178 Cb 1.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3kzg h ALA 178 CO 0.09 0.29 0.47 -0.22 0.00 0.00 0.00 179.25 179.88 3kzg h LYS 179 N 0.92 0.85 -0.34 0.00 3.64 -1.16 -2.25 116.57 118.24 3kzg h LYS 179 Ca 0.25 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3kzg h LYS 179 Cb -0.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3kzg h LYS 179 CO -0.06 0.56 0.05 -0.92 -2.27 0.00 0.00 179.45 176.81 3kzg h TYR 180 N 0.88 0.61 0.00 1.91 3.20 -0.35 -3.11 116.97 120.11 3kzg h TYR 180 Ca 0.33 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3kzg h TYR 180 Cb 0.13 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3kzg h TYR 180 CO -0.05 0.64 0.00 0.91 -1.64 0.00 0.00 178.16 178.03 3kzg n TRP 181 N -4.58 0.00 0.00 -3.82 7.02 -0.05 -2.84 117.44 113.17 3kzg n TRP 181 Ca -0.02 -0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 3kzg n TRP 181 Cb 0.23 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 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 1.50 0.00 -2.00 6.99 0.00 -1.18 -3.74 120.51 122.08 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.72 0.00 7.64 -1.13 -5.03 113.62 111.38 3kzg n SER 184 Ca 0.00 -1.08 -0.30 0.00 1.01 0.00 0.00 58.87 58.50 3kzg n SER 184 Cb 0.00 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.00 1.10 0.00 1.43 2.56 -1.25 -4.28 118.70 118.27 3kzg s GLU 185 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 54.97 53.27 3kzg s GLU 185 Cb 0.00 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 33.90 3kzg s GLU 185 CO 0.00 -1.11 0.00 -0.35 -0.56 0.00 0.00 175.26 173.24 3kzg n PRO 186 N 3.97 3.39 0.00 4.30 -0.04 -1.26 -2.11 135.00 143.24 3kzg n PRO 186 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3kzg n PRO 186 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 3kzg n PRO 186 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3kzg n TYR 187 N 0.00 0.00 -2.87 0.54 9.36 -1.26 -4.63 117.16 118.31 3kzg n TYR 187 Ca 0.00 -0.39 -0.18 0.00 3.32 0.00 0.00 57.90 60.65 3kzg n TYR 187 Cb 0.00 -0.04 -0.01 0.00 -0.63 0.00 0.00 39.34 38.66 3kzg n TYR 187 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kzg n ALA 188 N -0.39 3.41 -1.47 2.98 0.00 -1.26 -4.87 120.51 118.91 3kzg n ALA 188 Ca 0.00 -3.70 0.04 0.00 0.00 0.00 0.00 53.44 49.78 3kzg n ALA 188 Cb 0.21 -0.84 0.20 0.00 0.00 0.00 0.00 19.45 19.02 3kzg n ALA 188 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3kzg n TYR 189 N -0.04 0.36 -0.40 0.00 4.11 -1.26 -4.53 117.16 115.39 3kzg n TYR 189 Ca 0.23 -1.44 0.36 0.00 -0.00 0.00 0.00 57.90 57.05 3kzg n TYR 189 Cb 0.66 -0.31 0.63 0.00 -0.00 0.00 0.00 39.34 40.32 3kzg n TYR 189 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 3kzg h LYS 190 N 0.91 0.04 0.00 -3.48 1.63 -1.91 -2.96 116.57 110.80 3kzg h LYS 190 Ca 0.06 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3kzg h LYS 190 Cb 1.21 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3kzg h LYS 190 CO 0.12 0.02 0.00 1.28 -3.45 0.00 0.00 179.45 177.43 3kzg n LEU 191 N -4.94 0.00 0.00 5.20 4.77 -1.26 -4.81 117.00 115.96 3kzg n LEU 191 Ca 0.39 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 3kzg n LEU 191 Cb 1.41 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 42.74 3kzg n LEU 191 CO 0.12 0.06 0.66 -0.38 -1.33 0.00 0.00 177.39 176.51 3kzg n ILE 192 N 0.00 1.10 -0.49 -0.08 2.08 -1.12 -4.96 119.36 115.88 3kzg n ILE 192 Ca 0.00 0.27 0.06 0.00 0.56 0.00 0.00 62.75 63.65 3kzg n ILE 192 Cb 0.16 -1.09 -0.02 0.00 -0.75 0.00 0.00 39.64 37.93 3kzg n ILE 192 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kzg n GLY 193 N -0.38 -2.15 3.92 7.39 0.00 -1.20 -4.94 105.19 107.84 3kzg n GLY 193 Ca 0.03 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.37 3.55 0.20 1.61 1.02 -1.26 -4.50 119.74 117.98 3kzg s LYS 194 Ca 0.00 -0.15 0.23 0.00 0.02 0.00 0.00 55.97 56.07 3kzg s LYS 194 Cb 0.00 -2.64 0.19 0.00 -0.52 0.00 0.00 37.83 34.86 3kzg s LYS 194 CO 0.00 0.15 1.23 -0.22 -0.92 0.00 0.00 175.35 175.59 3kzg h LYS 195 N 1.11 0.00 -5.23 1.68 3.64 -1.77 -3.44 116.57 112.55 3kzg h LYS 195 Ca -0.49 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.40 3kzg h LYS 195 Cb 1.20 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 3kzg h LYS 195 CO 0.63 0.00 -0.60 0.71 -2.27 0.00 0.00 179.45 177.93 3kzg s TYR 196 N -3.27 1.98 -0.06 1.91 2.02 -1.26 -1.49 117.35 117.18 3kzg s TYR 196 Ca 0.03 -0.97 -0.14 0.00 -0.37 0.00 0.00 57.07 55.62 3kzg s TYR 196 Cb 0.10 -1.31 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 3kzg s TYR 196 CO 0.75 0.01 0.33 -1.59 -1.57 0.00 0.00 175.55 173.47 3kzg s LYS 197 N -3.87 0.58 0.18 -0.62 -2.85 -0.54 -4.52 119.74 108.12 3kzg s LYS 197 Ca 0.35 0.05 -0.20 0.00 -1.00 0.00 0.00 55.97 55.17 3kzg s LYS 197 Cb 0.08 0.27 -0.08 0.00 -2.06 0.00 0.00 37.83 36.04 3kzg s LYS 197 CO 0.15 -0.14 0.69 -0.51 0.10 0.00 0.00 175.35 175.65 3kzg s LEU 198 N -0.79 4.41 -0.30 2.77 1.43 -1.26 -1.79 118.68 123.14 3kzg s LEU 198 Ca -0.09 1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 3kzg s LEU 198 Cb -0.04 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.80 3kzg s LEU 198 CO 0.03 0.10 0.03 -0.63 0.23 0.00 0.00 176.35 176.12 3kzg s ILE 199 N -1.40 3.42 0.06 -0.59 -1.09 -0.31 -4.95 121.20 116.34 3kzg s ILE 199 Ca 0.39 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 3kzg s ILE 199 Cb -0.18 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3kzg s ILE 199 CO 0.21 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 3kzg n GLY 200 N 4.74 -1.61 3.94 6.18 0.00 -1.26 -3.92 105.19 113.26 3kzg n GLY 200 Ca -0.14 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.55 1.91 0.61 1.61 1.02 -1.26 -4.85 119.74 117.23 3kzg s LYS 201 Ca 0.00 -0.35 -0.18 0.00 0.02 0.00 0.00 55.97 55.46 3kzg s LYS 201 Cb 0.00 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 3kzg s LYS 201 CO 0.00 -1.44 1.20 -1.59 -0.92 0.00 0.00 175.35 172.59 3kzg s LYS 202 N -5.34 2.87 -0.10 1.68 -2.85 -1.26 -4.77 119.74 109.96 3kzg s LYS 202 Ca 0.63 1.78 0.02 0.00 -1.00 0.00 0.00 55.97 57.40 3kzg s LYS 202 Cb -0.09 -1.92 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 3kzg s LYS 202 CO 0.46 -1.27 -0.17 0.42 0.10 0.00 0.00 175.35 174.88 3kzg s ILE 203 N -1.70 2.69 0.15 3.79 1.01 -0.13 -4.93 121.20 122.07 3kzg s ILE 203 Ca 0.76 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 3kzg s ILE 203 Cb -0.29 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 3kzg s ILE 203 CO 0.35 0.55 1.22 -0.55 0.00 0.00 0.00 174.94 176.51 3kzg s SER 204 N 0.11 7.05 -0.14 3.58 0.15 -1.26 -0.38 113.70 122.81 3kzg s SER 204 Ca -0.08 2.19 -0.07 0.00 0.70 0.00 0.00 55.95 58.69 3kzg s SER 204 Cb -0.15 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.62 3kzg s SER 204 CO 0.05 -0.43 0.34 -0.51 1.20 0.00 0.00 173.24 173.90 3kzg s ILE 205 N 0.33 -0.09 0.00 6.45 1.10 -1.03 -4.89 121.20 123.06 3kzg s ILE 205 Ca 0.55 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.83 3kzg s ILE 205 Cb -0.32 -0.52 0.00 0.00 0.15 0.00 0.00 42.46 41.77 3kzg s ILE 205 CO 0.34 0.05 0.00 0.61 -2.11 0.00 0.00 174.94 173.84 3kzg n GLY 206 N 4.39 -1.28 0.92 1.50 0.00 -1.26 -4.42 105.19 105.04 3kzg n GLY 206 Ca -0.22 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.34 1.90 0.00 1.61 1.02 -0.07 -4.88 120.64 119.89 3kzg n GLU 207 Ca 0.00 -3.39 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 3kzg n GLU 207 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 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 -1.07 2.55 3.74 0.62 0.00 -1.26 -4.76 105.19 105.01 3kzg n GLY 208 Ca 0.26 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.71 3.74 0.22 1.61 2.02 -1.26 -1.52 117.35 119.45 3kzg s TYR 209 Ca 0.00 1.74 -0.10 0.00 -0.37 0.00 0.00 57.07 58.34 3kzg s TYR 209 Cb 0.00 -3.15 -0.01 0.00 -0.40 0.00 0.00 41.96 38.40 3kzg s TYR 209 CO 0.00 -0.15 0.38 0.45 -1.57 0.00 0.00 175.55 174.66 3kzg s SER 210 N -0.52 -0.03 0.76 2.29 0.15 -1.26 -1.04 113.70 114.04 3kzg s SER 210 Ca 0.46 -0.97 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 3kzg s SER 210 Cb -0.28 0.52 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 3kzg s SER 210 CO 0.34 -1.04 1.05 -0.63 1.20 0.00 0.00 173.24 174.17 3kzg s ILE 211 N -4.02 2.13 0.00 6.45 1.01 -1.26 -4.69 121.20 120.82 3kzg s ILE 211 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3kzg s ILE 211 Cb 0.01 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.82 3kzg s ILE 211 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.01 3kzg n ALA 213 N -3.00 0.00 -1.79 9.38 0.00 -0.84 -0.99 120.51 123.28 3kzg n ALA 213 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 3kzg n ALA 213 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 0.55 0.00 -0.87 -1.26 -1.31 114.94 118.73 3kzg s ASN 214 Ca 0.00 2.01 0.35 0.00 -1.57 0.00 0.00 52.86 53.65 3kzg s ASN 214 Cb 0.00 -2.58 1.51 0.00 -0.02 0.00 0.00 41.25 40.16 3kzg s ASN 214 CO 0.00 -0.55 1.79 -0.65 -2.57 0.00 0.00 177.10 175.13 3kzg h PRO 215 N 2.31 0.00 0.00 -0.60 0.11 -1.88 0.17 132.00 132.12 3kzg h PRO 215 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kzg h PRO 215 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kzg h PRO 215 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3kzg n ASP 216 N -4.07 0.00 -2.15 -2.05 5.75 -1.26 -3.69 116.55 109.07 3kzg n ASP 216 Ca 0.23 -0.72 -0.21 0.00 -0.01 0.00 0.00 54.79 54.07 3kzg n ASP 216 Cb 1.17 -0.09 0.18 0.00 -1.03 0.00 0.00 41.12 41.36 3kzg n ASP 216 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kzg n GLN 217 N -1.09 2.32 0.25 0.11 6.02 0.60 -4.65 117.38 120.95 3kzg n GLN 217 Ca 0.21 -2.87 0.10 0.00 -0.01 0.00 0.00 57.00 54.43 3kzg n GLN 217 Cb 0.15 -2.13 0.70 0.00 1.02 0.00 0.00 30.24 29.98 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 1.09 0.00 -0.14 1.08 -5.15 -1.77 -2.25 116.94 109.80 3kzg h PHE 218 Ca 0.58 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.33 3kzg h PHE 218 Cb 2.74 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.91 3kzg h PHE 218 CO 1.50 0.00 0.02 0.28 -2.00 0.00 0.00 178.31 178.11 3kzg h VAL 219 N 0.00 1.22 -0.54 0.88 2.07 -1.93 -1.05 116.25 116.90 3kzg h VAL 219 Ca 0.02 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3kzg h VAL 219 Cb 0.07 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3kzg h VAL 219 CO -0.00 0.20 0.30 0.25 0.02 0.00 0.00 177.57 178.35 3kzg h LEU 220 N 0.01 0.66 -0.85 2.57 5.85 -1.86 -2.11 115.31 119.59 3kzg h LEU 220 Ca 0.04 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kzg h LEU 220 Cb 0.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3kzg h LEU 220 CO 0.00 0.55 0.47 0.40 -0.34 0.00 0.00 178.44 179.53 3kzg h ILE 221 N 0.72 1.25 -0.31 4.05 1.08 -1.31 -1.05 117.51 121.94 3kzg h ILE 221 Ca 0.19 -0.60 -0.08 0.00 -0.39 0.00 0.00 64.86 63.98 3kzg h ILE 221 Cb 0.03 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.87 3kzg h ILE 221 CO -0.03 0.27 -0.14 0.11 -0.69 0.00 0.00 178.15 177.67 3kzg h LYS 222 N 1.18 0.53 -0.40 2.37 1.57 -0.87 -0.69 116.57 120.26 3kzg h LYS 222 Ca 0.30 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3kzg h LYS 222 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kzg h LYS 222 CO -0.05 0.66 -0.22 0.87 -0.57 0.00 0.00 179.45 180.13 3kzg h LYS 223 N 0.49 0.79 -0.53 3.15 1.57 -0.82 -2.66 116.57 118.55 3kzg h LYS 223 Ca 0.09 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 3kzg h LYS 223 Cb 0.53 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3kzg h LYS 223 CO 0.03 0.94 0.10 0.82 -0.57 0.00 0.00 179.45 180.78 3kzg h ILE 224 N 0.69 1.25 -0.90 1.86 2.04 -0.67 -2.47 117.51 119.31 3kzg h ILE 224 Ca 0.09 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.07 3kzg h ILE 224 Cb 0.74 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 3kzg h ILE 224 CO 0.06 0.33 0.58 0.78 0.00 0.00 0.00 178.15 179.91 3kzg h ASN 225 N 0.76 0.97 -0.69 1.72 2.35 -1.00 0.34 115.58 120.03 3kzg h ASN 225 Ca 0.16 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3kzg h ASN 225 Cb 0.38 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3kzg h ASN 225 CO 0.01 0.67 0.15 0.11 -1.65 0.00 0.00 177.43 176.72 3kzg h LYS 226 N 1.14 1.13 -0.55 0.81 1.57 -1.30 -1.79 116.57 117.57 3kzg h LYS 226 Ca 0.36 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3kzg h LYS 226 Cb -0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3kzg h LYS 226 CO -0.12 1.01 0.07 0.82 -0.57 0.00 0.00 179.45 180.66 3kzg h ILE 227 N 1.06 1.24 -0.20 1.86 2.04 -0.81 -0.51 117.51 122.21 3kzg h ILE 227 Ca 0.22 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3kzg h ILE 227 Cb 0.40 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3kzg h ILE 227 CO 0.01 0.35 0.01 -0.07 0.00 0.00 0.00 178.15 178.44 3kzg h LEU 228 N 0.84 0.33 -0.92 1.44 3.38 -0.73 -2.84 115.31 116.82 3kzg h LEU 228 Ca 0.17 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3kzg h LEU 228 Cb 0.40 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3kzg h LEU 228 CO 0.01 0.54 0.59 -0.07 0.09 0.00 0.00 178.44 179.61 3kzg h LEU 229 N 0.11 0.97 -1.91 1.67 3.38 -1.03 -0.76 115.31 117.73 3kzg h LEU 229 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kzg h LEU 229 Cb 0.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kzg h LEU 229 CO 0.01 0.65 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 3kzg n GLU 230 N -4.53 0.32 0.00 1.13 1.02 -0.22 -1.48 120.64 116.88 3kzg n GLU 230 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3kzg n GLU 230 Cb 0.12 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.80 0.00 0.08 3.49 1.02 -0.29 -1.90 120.64 123.83 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 0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.41 -0.30 0.62 0.00 -1.52 -3.33 119.26 115.14 3kzg h ALA 233 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3kzg h ALA 233 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kzg h ALA 233 CO 0.00 1.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.96 3kzg n ASP 234 N -3.47 3.27 0.00 0.00 5.68 -0.80 -4.97 116.55 116.26 3kzg n ASP 234 Ca -0.02 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3kzg n ASP 234 Cb 0.89 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 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 1.46 1.33 0.17 6.12 0.00 -1.25 -4.93 105.19 108.09 3kzg n GLY 235 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 1.14 0.38 2.61 2.02 -1.89 -1.10 112.91 116.07 3kzg h THR 236 Ca 0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3kzg h THR 236 Cb 0.00 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3kzg h THR 236 CO 0.00 0.14 -0.19 0.22 0.37 0.00 0.00 175.52 176.06 3kzg h TYR 237 N 0.46 -0.50 -0.76 3.16 5.03 -1.91 -1.95 116.97 120.49 3kzg h TYR 237 Ca 0.13 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.52 3kzg h TYR 237 Cb 0.05 0.17 -0.07 0.00 1.55 0.00 0.00 36.73 38.43 3kzg h TYR 237 CO -0.03 -0.31 0.41 1.25 -1.32 0.00 0.00 178.16 178.16 3kzg h LEU 238 N -0.53 0.56 0.20 2.82 5.85 -1.88 0.20 115.31 122.53 3kzg h LEU 238 Ca -0.05 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kzg h LEU 238 Cb 0.41 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3kzg h LEU 238 CO 0.08 0.32 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.25 3kzg h ARG 239 N 0.69 -0.35 -0.42 1.25 2.43 -1.03 0.57 114.38 117.51 3kzg h ARG 239 Ca 0.37 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 3kzg h ARG 239 Cb 0.37 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3kzg h ARG 239 CO -0.26 -0.24 0.22 1.25 -1.51 0.00 0.00 179.97 179.44 3kzg h LEU 240 N -0.37 0.53 0.20 3.80 5.85 -0.76 -2.83 115.31 121.73 3kzg h LEU 240 Ca -0.01 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3kzg h LEU 240 Cb 0.33 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3kzg h LEU 240 CO -0.01 0.47 -0.11 0.22 -0.34 0.00 0.00 178.44 178.67 3kzg h TYR 241 N 0.54 -0.29 -0.00 1.25 3.20 -0.42 -2.48 116.97 118.77 3kzg h TYR 241 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3kzg h TYR 241 Cb 0.07 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3kzg h TYR 241 CO -0.02 -0.18 0.01 0.66 -1.64 0.00 0.00 178.16 176.99 3kzg h SER 242 N -0.30 0.00 0.89 -2.11 4.64 -0.86 0.11 113.55 115.93 3kzg h SER 242 Ca -0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3kzg h SER 242 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3kzg h SER 242 CO 0.03 0.00 -0.40 -0.33 -0.87 0.00 0.00 176.83 175.26 3kzg h GLU 243 N 0.00 0.00 0.00 4.77 4.39 -1.18 -3.33 114.58 119.23 3kzg h GLU 243 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 3kzg h GLU 243 Cb 0.01 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3kzg h GLU 243 CO -0.00 0.40 -1.96 0.66 -1.16 0.00 0.00 179.01 176.95 3kzg n TYR 244 N -3.51 0.00 0.07 4.33 4.01 -0.47 -5.13 117.16 116.45 3kzg n TYR 244 Ca -0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 3kzg n TYR 244 Cb 0.54 -0.67 0.01 0.00 -0.31 0.00 0.00 39.34 38.90 3kzg n TYR 244 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59