#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxf s VAL 4 N 0.00 4.76 0.13 1.61 0.11 -1.23 -3.13 120.40 122.65 3kxf s VAL 4 Ca 0.00 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 3kxf s VAL 4 Cb 0.00 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.62 3kxf s VAL 4 CO 0.00 0.38 0.04 0.42 -3.33 0.00 0.00 175.10 172.61 3kxf s THR 5 N 1.00 4.09 -0.10 5.04 -4.23 0.28 -4.38 115.64 117.34 3kxf s THR 5 Ca 0.05 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 3kxf s THR 5 Cb -0.14 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.74 3kxf s THR 5 CO 0.03 0.01 0.24 -1.58 -0.54 0.00 0.00 174.62 172.78 3kxf s GLN 6 N -2.65 0.18 0.01 3.99 0.74 -1.26 -0.47 119.66 120.19 3kxf s GLN 6 Ca 0.28 0.55 -0.04 0.00 0.05 0.00 0.00 55.36 56.20 3kxf s GLN 6 Cb -0.11 -0.12 -0.01 0.00 1.10 0.00 0.00 33.01 33.88 3kxf s GLN 6 CO 0.20 -0.19 0.06 0.95 -0.55 0.00 0.00 175.29 175.76 3kxf s THR 7 N 1.47 0.09 1.04 -0.34 -4.23 -0.93 -4.60 115.64 108.14 3kxf s THR 7 Ca -0.07 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 3kxf s THR 7 Cb -0.11 -0.33 0.21 0.00 1.34 0.00 0.00 72.50 73.61 3kxf s THR 7 CO -0.08 -0.40 1.11 -2.16 -0.54 0.00 0.00 174.62 172.55 3kxf s PRO 8 N -1.30 0.08 -0.12 3.99 0.04 -1.26 -0.71 135.00 135.71 3kxf s PRO 8 Ca -0.14 0.29 -0.21 0.00 0.04 0.00 0.00 61.00 60.98 3kxf s PRO 8 Cb -0.08 -1.72 -0.26 0.00 0.04 0.00 0.00 34.50 32.48 3kxf s PRO 8 CO 0.00 -2.91 0.60 -0.22 0.04 0.00 0.00 177.00 174.51 3kxf h LYS 9 N -2.02 0.15 -4.99 4.56 3.64 -1.85 -3.43 116.57 112.63 3kxf h LYS 9 Ca -0.52 -0.25 -0.32 0.00 -1.27 0.00 0.00 60.65 58.29 3kxf h LYS 9 Cb 1.32 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 33.06 3kxf h LYS 9 CO 0.52 1.12 -0.73 -0.06 -2.27 0.00 0.00 179.45 178.03 3kxf s PHE 10 N -2.38 1.11 -0.17 1.91 0.08 -1.26 -0.88 117.98 116.39 3kxf s PHE 10 Ca -0.20 -0.68 -0.28 0.00 0.12 0.00 0.00 56.93 55.89 3kxf s PHE 10 Cb 0.02 -0.60 0.07 0.00 -0.57 0.00 0.00 43.02 41.94 3kxf s PHE 10 CO 0.72 0.02 0.70 -1.14 -0.10 0.00 0.00 175.22 175.42 3kxf s GLN 11 N -3.03 0.93 0.04 0.44 2.00 -0.74 -4.95 119.66 114.35 3kxf s GLN 11 Ca 0.08 0.67 0.07 0.00 -2.00 0.00 0.00 55.36 54.18 3kxf s GLN 11 Cb -0.01 0.45 -0.03 0.00 0.80 0.00 0.00 33.01 34.21 3kxf s GLN 11 CO 0.00 -0.20 -0.18 0.08 -0.50 0.00 0.00 175.29 174.49 3kxf s VAL 12 N -0.31 2.76 -0.01 1.34 1.01 -1.26 -2.30 120.40 121.63 3kxf s VAL 12 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3kxf s VAL 12 Cb -0.03 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3kxf s VAL 12 CO 0.05 0.35 0.01 -0.76 0.00 0.00 0.00 175.10 174.75 3kxf s LEU 13 N -1.40 1.61 0.15 3.92 1.43 0.68 -4.95 118.68 120.12 3kxf s LEU 13 Ca 0.14 0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 3kxf s LEU 13 Cb -0.10 -0.05 -0.07 0.00 0.03 0.00 0.00 46.19 45.99 3kxf s LEU 13 CO 0.05 -0.05 0.82 -0.75 0.23 0.00 0.00 176.35 176.65 3kxf s LYS 14 N 0.45 4.62 0.14 1.70 2.20 -1.26 0.18 119.74 127.77 3kxf s LYS 14 Ca -0.04 1.23 -0.34 0.00 -0.36 0.00 0.00 55.97 56.47 3kxf s LYS 14 Cb -0.06 -3.30 -0.16 0.00 -1.51 0.00 0.00 37.83 32.80 3kxf s LYS 14 CO -0.01 0.47 1.15 2.41 -0.36 0.00 0.00 175.35 179.01 3kxf n THR 15 N 1.92 0.73 0.00 3.43 -1.04 0.15 -2.39 114.28 117.08 3kxf n THR 15 Ca -0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3kxf n THR 15 Cb 0.49 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 3kxf n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kxf n GLY 16 N 2.04 2.83 3.59 3.41 0.00 -0.04 -4.92 105.19 112.11 3kxf n GLY 16 Ca 0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 3kxf n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kxf s GLN 17 N 0.00 -1.02 0.35 1.61 -2.07 -1.01 -3.64 119.66 113.89 3kxf s GLN 17 Ca 0.00 0.05 0.08 0.00 -1.82 0.00 0.00 55.36 53.67 3kxf s GLN 17 Cb 0.00 -1.61 -0.05 0.00 -1.09 0.00 0.00 33.01 30.26 3kxf s GLN 17 CO 0.00 -3.60 0.07 -1.12 -1.32 0.00 0.00 175.29 169.33 3kxf s SER 18 N -3.77 4.36 -0.21 12.60 0.01 -1.26 -2.58 113.70 122.85 3kxf s SER 18 Ca 0.70 -0.94 -0.27 0.00 1.31 0.00 0.00 55.95 56.74 3kxf s SER 18 Cb -0.12 -0.58 0.11 0.00 0.21 0.00 0.00 66.02 65.64 3kxf s SER 18 CO 0.57 -0.30 0.93 -0.32 0.41 0.00 0.00 173.24 174.53 3kxf s MET 19 N -3.78 0.65 -0.06 12.44 0.00 -1.22 -5.04 119.30 122.30 3kxf s MET 19 Ca 0.36 0.46 0.03 0.00 0.00 0.00 0.00 55.69 56.54 3kxf s MET 19 Cb -0.00 0.31 0.01 0.00 0.00 0.00 0.00 34.83 35.15 3kxf s MET 19 CO 0.21 -0.14 -0.12 -0.08 0.00 0.00 0.00 175.02 174.88 3kxf s THR 20 N -0.38 1.11 -0.02 10.11 -1.32 -1.26 -0.91 115.64 122.97 3kxf s THR 20 Ca -0.01 -0.48 -0.17 0.00 -1.21 0.00 0.00 61.69 59.81 3kxf s THR 20 Cb -0.03 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 3kxf s THR 20 CO -0.01 0.34 0.49 -0.76 -2.21 0.00 0.00 174.62 172.47 3kxf s LEU 21 N 0.53 4.43 -0.12 9.08 1.02 -0.09 -4.78 118.68 128.74 3kxf s LEU 21 Ca -0.12 1.01 -0.05 0.00 0.02 0.00 0.00 54.13 55.00 3kxf s LEU 21 Cb -0.14 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 3kxf s LEU 21 CO 0.03 0.20 0.06 -1.10 0.02 0.00 0.00 176.35 175.56 3kxf s GLN 22 N -0.51 3.38 -0.04 1.70 -1.52 0.11 -1.32 119.66 121.45 3kxf s GLN 22 Ca 0.26 -0.30 0.02 0.00 -1.95 0.00 0.00 55.36 53.39 3kxf s GLN 22 Cb -0.17 -3.03 0.01 0.00 -0.22 0.00 0.00 33.01 29.61 3kxf s GLN 22 CO 0.14 0.62 -0.07 0.00 -0.25 0.00 0.00 175.29 175.73 3kxf s ALA 24 N 0.61 0.54 0.02 0.00 0.00 0.38 -0.68 121.76 122.63 3kxf s ALA 24 Ca -0.10 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3kxf s ALA 24 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3kxf s ALA 24 CO 0.01 0.03 -0.15 -1.14 0.00 0.00 0.00 175.76 174.52 3kxf s GLN 25 N 0.52 1.06 -0.41 0.00 -0.44 -1.09 0.99 119.66 120.29 3kxf s GLN 25 Ca -0.06 -0.66 0.07 0.00 -2.50 0.00 0.00 55.36 52.20 3kxf s GLN 25 Cb -0.10 -1.06 0.43 0.00 -1.64 0.00 0.00 33.01 30.64 3kxf s GLN 25 CO -0.00 0.28 1.10 -0.40 0.50 0.00 0.00 175.29 176.76 3kxf n ASP 26 N 2.26 4.29 -0.52 6.67 5.68 -1.18 -4.39 116.55 129.35 3kxf n ASP 26 Ca -0.16 -3.58 0.05 0.00 -0.50 0.00 0.00 54.79 50.60 3kxf n ASP 26 Cb 0.55 -0.46 0.12 0.00 -1.14 0.00 0.00 41.12 40.19 3kxf n ASP 26 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3kxf n MET 27 N -0.45 2.59 -2.51 0.11 2.81 -1.26 -4.79 117.12 113.62 3kxf n MET 27 Ca 0.35 -1.86 -0.17 0.00 -1.81 0.00 0.00 57.70 54.21 3kxf n MET 27 Cb 0.71 -1.22 -0.00 0.00 -0.71 0.00 0.00 33.22 31.99 3kxf n MET 27 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3kxf n ASN 28 N 0.38 -4.85 -4.79 7.83 5.15 -1.26 -4.97 115.26 112.74 3kxf n ASN 28 Ca 0.09 0.05 -0.31 0.00 -0.60 0.00 0.00 54.58 53.81 3kxf n ASN 28 Cb 0.38 -4.06 0.06 0.00 -0.53 0.00 0.00 39.78 35.63 3kxf n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3kxf s HIS 29 N -2.84 2.82 -0.24 1.20 3.76 -1.26 -5.02 115.29 113.72 3kxf s HIS 29 Ca 0.04 1.50 -0.18 0.00 -0.15 0.00 0.00 55.06 56.27 3kxf s HIS 29 Cb -0.02 -2.99 -0.16 0.00 1.11 0.00 0.00 32.58 30.51 3kxf s HIS 29 CO 0.05 -1.51 -0.01 0.09 -0.85 0.00 0.00 174.74 172.50 3kxf n ASN 30 N -3.14 1.91 -4.86 1.40 3.02 -1.26 -4.95 115.26 107.38 3kxf n ASN 30 Ca 0.09 0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 54.66 3kxf n ASN 30 Cb 0.53 -0.90 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 3kxf n ASN 30 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kxf s SER 31 N -7.11 6.67 -0.07 6.41 0.01 -1.24 -3.29 113.70 115.07 3kxf s SER 31 Ca -0.33 0.81 -0.05 0.00 1.31 0.00 0.00 55.95 57.70 3kxf s SER 31 Cb 0.10 -2.19 0.03 0.00 0.21 0.00 0.00 66.02 64.17 3kxf s SER 31 CO 0.56 0.22 0.17 -0.04 0.41 0.00 0.00 173.24 174.56 3kxf s MET 32 N -1.68 0.17 -0.02 12.44 -1.94 -0.31 -4.63 119.30 123.32 3kxf s MET 32 Ca 0.30 0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.64 3kxf s MET 32 Cb -0.14 -0.02 -0.01 0.00 2.01 0.00 0.00 34.83 36.66 3kxf s MET 32 CO 0.16 -0.09 -0.14 0.71 -0.01 0.00 0.00 175.02 175.65 3kxf s TYR 33 N 0.61 1.33 -0.18 -0.03 1.51 0.36 -1.66 117.35 119.29 3kxf s TYR 33 Ca -0.04 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3kxf s TYR 33 Cb -0.06 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 3kxf s TYR 33 CO -0.03 -0.07 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.68 3kxf s TRP 34 N -0.14 2.92 0.15 2.71 0.23 -0.83 -0.63 118.94 123.36 3kxf s TRP 34 Ca 0.02 -0.76 0.09 0.00 -2.03 0.00 0.00 56.10 53.42 3kxf s TRP 34 Cb -0.08 -2.00 -0.04 0.00 0.03 0.00 0.00 33.47 31.38 3kxf s TRP 34 CO 0.00 -0.37 -0.21 0.71 0.96 0.00 0.00 176.95 178.04 3kxf s TYR 35 N 0.96 1.97 -0.09 -1.98 1.51 0.41 -0.48 117.35 119.65 3kxf s TYR 35 Ca -0.01 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 3kxf s TYR 35 Cb -0.15 -1.01 -0.00 0.00 -0.11 0.00 0.00 41.96 40.69 3kxf s TYR 35 CO 0.00 0.34 -0.23 -0.98 -1.11 0.00 0.00 175.55 173.58 3kxf s ARG 36 N -2.49 2.83 -0.19 -0.62 1.70 -0.54 -0.60 118.95 119.02 3kxf s ARG 36 Ca 0.15 -0.84 -0.09 0.00 -0.47 0.00 0.00 55.73 54.47 3kxf s ARG 36 Cb -0.08 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 32.07 3kxf s ARG 36 CO 0.07 0.20 0.12 -1.14 -1.08 0.00 0.00 175.30 173.47 3kxf s GLN 37 N 0.27 4.12 0.03 3.89 0.74 0.32 -1.77 119.66 127.26 3kxf s GLN 37 Ca -0.16 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.03 3kxf s GLN 37 Cb -0.17 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 3kxf s GLN 37 CO 0.08 0.31 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.55 3kxf s ASP 38 N 0.31 0.77 0.34 6.67 1.01 -1.15 -2.70 116.67 121.91 3kxf s ASP 38 Ca 0.07 -0.44 -0.29 0.00 0.71 0.00 0.00 52.55 52.61 3kxf s ASP 38 Cb -0.11 0.01 -0.12 0.00 1.01 0.00 0.00 42.92 43.71 3kxf s ASP 38 CO -0.01 -0.14 1.46 -2.65 0.21 0.00 0.00 175.17 174.03 3kxf n PRO 39 N 1.83 2.50 0.00 8.23 -0.02 -1.26 -2.07 135.00 144.21 3kxf n PRO 39 Ca -0.20 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3kxf n PRO 39 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3kxf n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxf n GLY 40 N 1.05 2.52 0.13 -1.23 0.00 -1.26 -4.74 105.19 101.66 3kxf n GLY 40 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3kxf n GLY 40 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kxf n MET 41 N -1.75 0.68 0.00 1.61 0.00 -0.88 -5.10 117.12 111.67 3kxf n MET 41 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 57.70 58.07 3kxf n MET 41 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.51 3kxf n MET 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kxf n GLY 42 N 1.77 -0.20 3.28 -5.12 0.00 -1.09 -4.91 105.19 98.93 3kxf n GLY 42 Ca -0.33 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 3kxf n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxf s LEU 43 N 0.00 3.23 -0.13 0.99 1.43 -1.26 -2.93 118.68 120.01 3kxf s LEU 43 Ca 0.00 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3kxf s LEU 43 Cb 0.00 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3kxf s LEU 43 CO 0.00 -0.10 -0.13 -0.13 0.23 0.00 0.00 176.35 176.22 3kxf s ARG 44 N 1.43 3.38 0.18 1.70 0.52 -0.73 -4.91 118.95 120.52 3kxf s ARG 44 Ca 0.03 -0.68 -0.32 0.00 -0.52 0.00 0.00 55.73 54.24 3kxf s ARG 44 Cb -0.16 -2.64 -0.11 0.00 0.52 0.00 0.00 34.95 32.57 3kxf s ARG 44 CO -0.02 0.20 1.67 -1.17 0.02 0.00 0.00 175.30 176.00 3kxf s LEU 45 N 0.38 4.37 -0.27 2.53 2.96 -1.26 -1.47 118.68 125.91 3kxf s LEU 45 Ca -0.11 2.74 -0.15 0.00 -0.22 0.00 0.00 54.13 56.40 3kxf s LEU 45 Cb -0.16 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.81 3kxf s LEU 45 CO 0.05 -0.91 -0.28 -0.38 -1.32 0.00 0.00 176.35 173.52 3kxf n ILE 46 N 4.07 1.53 -3.48 6.68 5.41 0.36 0.18 119.36 134.12 3kxf n ILE 46 Ca 0.15 -0.34 -0.12 0.00 1.00 0.00 0.00 62.75 63.44 3kxf n ILE 46 Cb 0.37 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 3kxf n ILE 46 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3kxf s TYR 47 N -2.49 -0.49 0.17 1.39 1.51 -1.24 -1.20 117.35 115.00 3kxf s TYR 47 Ca -0.37 0.47 -0.12 0.00 -1.01 0.00 0.00 57.07 56.04 3kxf s TYR 47 Cb 0.14 0.52 0.00 0.00 -0.11 0.00 0.00 41.96 42.51 3kxf s TYR 47 CO 0.51 -0.67 0.36 1.52 -1.11 0.00 0.00 175.55 176.16 3kxf s TYR 48 N -2.85 0.21 -0.07 2.71 -0.85 -0.97 -1.96 117.35 113.57 3kxf s TYR 48 Ca -0.00 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 55.97 3kxf s TYR 48 Cb -0.01 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.46 3kxf s TYR 48 CO -0.06 -0.78 0.00 0.45 -1.52 0.00 0.00 175.55 173.64 3kxf s SER 49 N -2.93 1.48 0.31 -0.18 0.15 -0.66 -1.36 113.70 110.50 3kxf s SER 49 Ca 0.14 -0.07 0.19 0.00 0.70 0.00 0.00 55.95 56.91 3kxf s SER 49 Cb 0.02 -0.41 0.14 0.00 -1.71 0.00 0.00 66.02 64.06 3kxf s SER 49 CO -0.01 -0.19 1.39 0.00 1.20 0.00 0.00 173.24 175.63 3kxf h ALA 50 N 8.25 0.77 -3.00 5.45 0.00 -1.77 -0.83 119.26 128.14 3kxf h ALA 50 Ca -0.21 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.47 3kxf h ALA 50 Cb 1.13 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3kxf h ALA 50 CO 0.27 0.35 0.23 -1.54 0.00 0.00 0.00 179.25 178.56 3kxf s SER 51 N -6.16 -0.18 -0.39 0.00 1.04 -1.21 -3.68 113.70 103.12 3kxf s SER 51 Ca 0.04 -0.76 -0.27 0.00 0.48 0.00 0.00 55.95 55.44 3kxf s SER 51 Cb 0.07 0.76 -0.05 0.00 0.10 0.00 0.00 66.02 66.90 3kxf s SER 51 CO 0.73 -1.44 2.25 -0.70 0.98 0.00 0.00 173.24 175.06 3kxf s GLU 52 N -3.50 2.60 0.00 4.02 2.12 -1.26 -1.77 118.70 120.92 3kxf s GLU 52 Ca 0.12 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.02 3kxf s GLU 52 Cb -0.06 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.87 3kxf s GLU 52 CO 0.08 -2.71 0.00 0.41 -0.54 0.00 0.00 175.26 172.50 3kxf n GLY 53 N 5.85 1.24 2.95 -1.50 0.00 -1.12 -5.02 105.19 107.59 3kxf n GLY 53 Ca 0.32 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3kxf n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxf s THR 54 N -2.00 0.63 -0.05 2.61 2.01 -0.73 -5.00 115.64 113.12 3kxf s THR 54 Ca 0.00 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 3kxf s THR 54 Cb 0.00 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.93 3kxf s THR 54 CO 0.00 0.22 0.22 0.42 -0.69 0.00 0.00 174.62 174.79 3kxf s THR 55 N 0.48 0.04 0.14 -0.82 -4.23 -1.26 -4.02 115.64 105.96 3kxf s THR 55 Ca -0.07 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3kxf s THR 55 Cb -0.11 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 3kxf s THR 55 CO 0.00 -0.17 0.03 -1.81 -0.54 0.00 0.00 174.62 172.13 3kxf s ASP 56 N -0.63 0.65 0.19 3.99 1.01 -0.46 -5.01 116.67 116.39 3kxf s ASP 56 Ca -0.07 -1.18 -0.30 0.00 0.71 0.00 0.00 52.55 51.71 3kxf s ASP 56 Cb -0.04 0.22 -0.08 0.00 1.01 0.00 0.00 42.92 44.04 3kxf s ASP 56 CO 0.02 -0.66 1.01 -0.54 0.21 0.00 0.00 175.17 175.20 3kxf s LYS 57 N -3.99 4.71 0.00 8.23 1.02 -1.26 -2.30 119.74 126.15 3kxf s LYS 57 Ca 0.22 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.79 3kxf s LYS 57 Cb 0.07 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3kxf s LYS 57 CO 0.01 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 3kxf n GLY 58 N 1.86 1.10 0.11 -3.33 0.00 -0.34 -4.84 105.19 99.74 3kxf n GLY 58 Ca 0.01 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 3kxf n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kxf n GLU 59 N 0.00 0.68 -3.55 1.61 4.71 0.13 -4.63 120.64 119.59 3kxf n GLU 59 Ca 0.00 0.19 -0.27 0.00 -0.01 0.00 0.00 57.16 57.07 3kxf n GLU 59 Cb 0.00 -1.66 -0.10 0.00 -1.01 0.00 0.00 31.44 28.67 3kxf n GLU 59 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 3kxf n VAL 60 N -3.13 0.35 1.17 2.62 0.24 -0.08 -4.97 118.33 114.52 3kxf n VAL 60 Ca -0.30 -4.26 0.12 0.00 -2.04 0.00 0.00 64.34 57.87 3kxf n VAL 60 Cb 1.06 -1.94 0.25 0.00 -1.47 0.00 0.00 33.84 31.74 3kxf n VAL 60 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3kxf n PRO 61 N 2.06 0.96 -1.94 7.34 -0.04 -1.25 -4.52 135.00 137.61 3kxf n PRO 61 Ca 0.25 -0.66 -0.42 0.00 -0.04 0.00 0.00 63.50 62.64 3kxf n PRO 61 Cb 0.43 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3kxf n PRO 61 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3kxf s ASN 62 N -2.49 6.59 0.00 3.54 0.02 -1.26 -2.44 114.94 118.90 3kxf s ASN 62 Ca 0.22 2.63 0.00 0.00 -1.02 0.00 0.00 52.86 54.69 3kxf s ASN 62 Cb 0.19 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.86 3kxf s ASN 62 CO 0.54 -0.81 0.00 0.61 0.02 0.00 0.00 177.10 177.46 3kxf n GLY 63 N 3.47 0.98 3.45 0.66 0.00 -1.26 -5.03 105.19 107.46 3kxf n GLY 63 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3kxf n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxf s TYR 64 N -2.92 2.45 0.10 1.61 1.51 -1.02 -3.83 117.35 115.26 3kxf s TYR 64 Ca 0.00 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 3kxf s TYR 64 Cb 0.00 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3kxf s TYR 64 CO 0.00 0.38 -0.10 -0.80 -1.11 0.00 0.00 175.55 173.92 3kxf s ASN 65 N -2.15 1.48 0.01 2.29 0.02 -0.68 -4.98 114.94 110.93 3kxf s ASN 65 Ca 0.17 -0.85 0.01 0.00 -1.02 0.00 0.00 52.86 51.17 3kxf s ASN 65 Cb -0.10 0.01 -0.01 0.00 0.02 0.00 0.00 41.25 41.17 3kxf s ASN 65 CO 0.09 -0.28 -0.03 0.68 0.02 0.00 0.00 177.10 177.57 3kxf s VAL 66 N -2.62 0.21 -0.03 1.60 -7.23 -1.26 0.40 120.40 111.47 3kxf s VAL 66 Ca 0.07 -0.36 0.07 0.00 -1.81 0.00 0.00 61.98 59.96 3kxf s VAL 66 Cb -0.02 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 3kxf s VAL 66 CO -0.00 -0.10 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.00 3kxf s SER 67 N -0.48 2.95 -0.64 4.85 0.01 -1.07 -5.01 113.70 114.31 3kxf s SER 67 Ca -0.03 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3kxf s SER 67 Cb -0.04 -0.48 0.16 0.00 0.21 0.00 0.00 66.02 65.87 3kxf s SER 67 CO -0.00 0.28 0.44 -0.60 0.41 0.00 0.00 173.24 173.77 3kxf s ARG 68 N -0.45 2.46 0.09 12.44 6.06 -1.26 -2.46 118.95 135.83 3kxf s ARG 68 Ca 0.05 -2.78 -0.12 0.00 -2.50 0.00 0.00 55.73 50.39 3kxf s ARG 68 Cb -0.11 -3.59 -0.21 0.00 0.06 0.00 0.00 34.95 31.11 3kxf s ARG 68 CO 0.00 -1.18 1.21 -0.07 -2.50 0.00 0.00 175.30 172.76 3kxf h LEU 69 N 6.49 0.84 0.00 -0.88 3.38 -1.98 -2.95 115.31 120.21 3kxf h LEU 69 Ca 0.01 -0.68 -0.10 0.00 0.09 0.00 0.00 57.88 57.20 3kxf h LEU 69 Cb 0.89 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3kxf h LEU 69 CO 0.72 1.48 -0.03 -0.46 0.09 0.00 0.00 178.44 180.24 3kxf n ASN 70 N -3.83 -0.69 -0.09 -0.43 0.23 -1.26 -4.85 115.26 104.34 3kxf n ASN 70 Ca -0.10 -1.82 -0.07 0.00 -0.53 0.00 0.00 54.58 52.06 3kxf n ASN 70 Cb 0.88 1.25 0.11 0.00 -2.08 0.00 0.00 39.78 39.94 3kxf n ASN 70 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3kxf h LYS 71 N 0.00 0.77 0.69 -3.83 1.57 -1.94 -3.33 116.57 110.50 3kxf h LYS 71 Ca -0.13 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 3kxf h LYS 71 Cb 0.54 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.80 3kxf h LYS 71 CO 0.17 0.88 -0.33 0.00 -0.57 0.00 0.00 179.45 179.60 3kxf h ARG 72 N 0.69 -0.89 -6.61 3.15 3.08 -1.93 -3.46 114.38 108.41 3kxf h ARG 72 Ca 0.11 0.06 -0.51 0.00 0.07 0.00 0.00 59.98 59.71 3kxf h ARG 72 Cb 0.65 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3kxf h ARG 72 CO 0.05 -0.59 -0.04 -1.21 -1.07 0.00 0.00 179.97 177.11 3kxf s GLU 73 N -4.71 3.74 -0.31 0.04 2.02 -1.25 -2.66 118.70 115.57 3kxf s GLU 73 Ca -0.13 0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.13 3kxf s GLU 73 Cb 0.01 -2.55 0.16 0.00 0.10 0.00 0.00 34.13 31.85 3kxf s GLU 73 CO 0.40 0.15 0.40 0.12 0.02 0.00 0.00 175.26 176.35 3kxf s PHE 74 N -2.12 -0.87 0.23 1.61 5.36 0.15 -4.30 117.98 118.03 3kxf s PHE 74 Ca 0.48 0.08 -0.19 0.00 -0.96 0.00 0.00 56.93 56.33 3kxf s PHE 74 Cb -0.11 -0.21 -0.08 0.00 -0.34 0.00 0.00 43.02 42.28 3kxf s PHE 74 CO 0.28 -0.99 0.73 -1.12 -1.46 0.00 0.00 175.22 172.66 3kxf s SER 75 N 2.31 7.04 -0.25 6.13 0.01 -1.03 -2.87 113.70 125.04 3kxf s SER 75 Ca 0.11 1.41 0.01 0.00 1.31 0.00 0.00 55.95 58.79 3kxf s SER 75 Cb -0.13 -2.42 0.07 0.00 0.21 0.00 0.00 66.02 63.75 3kxf s SER 75 CO -0.25 0.02 -0.03 -0.22 0.41 0.00 0.00 173.24 173.16 3kxf s LEU 76 N -2.04 2.75 -0.01 2.44 2.96 -0.43 -2.60 118.68 121.74 3kxf s LEU 76 Ca 0.44 -1.30 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 3kxf s LEU 76 Cb -0.16 -1.20 -0.06 0.00 0.50 0.00 0.00 46.19 45.27 3kxf s LEU 76 CO 0.21 -0.26 0.38 -0.60 -1.32 0.00 0.00 176.35 174.76 3kxf s ARG 77 N 1.36 3.87 -0.69 1.98 3.52 0.16 -0.91 118.95 128.24 3kxf s ARG 77 Ca -0.03 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.85 3kxf s ARG 77 Cb -0.19 -3.22 0.18 0.00 -1.56 0.00 0.00 34.95 30.17 3kxf s ARG 77 CO -0.08 0.70 0.56 -0.51 -0.81 0.00 0.00 175.30 175.16 3kxf s LEU 78 N -1.08 5.81 0.15 -0.88 1.02 -0.09 -1.68 118.68 121.93 3kxf s LEU 78 Ca 0.23 -2.76 -0.18 0.00 0.02 0.00 0.00 54.13 51.44 3kxf s LEU 78 Cb -0.16 -1.99 0.03 0.00 0.02 0.00 0.00 46.19 44.09 3kxf s LEU 78 CO 0.12 -0.46 1.69 -0.33 0.02 0.00 0.00 176.35 177.40 3kxf h GLU 79 N 7.36 0.02 -2.30 1.70 4.39 -1.84 -3.23 114.58 120.69 3kxf h GLU 79 Ca 0.02 -0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.25 3kxf h GLU 79 Cb 0.99 -0.01 -0.35 0.00 -0.10 0.00 0.00 28.75 29.28 3kxf h GLU 79 CO 0.74 0.02 -0.76 0.45 -1.16 0.00 0.00 179.01 178.29 3kxf s SER 80 N -5.22 2.15 0.41 1.42 0.15 -1.26 -4.43 113.70 106.91 3kxf s SER 80 Ca -0.14 -1.75 -0.27 0.00 0.70 0.00 0.00 55.95 54.50 3kxf s SER 80 Cb 0.12 0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.42 3kxf s SER 80 CO 0.70 -0.30 1.46 0.00 1.20 0.00 0.00 173.24 176.29 3kxf s ALA 81 N 1.41 3.43 0.00 5.45 0.00 -1.07 -4.64 121.76 126.34 3kxf s ALA 81 Ca 0.16 1.52 0.06 0.00 0.00 0.00 0.00 51.96 53.70 3kxf s ALA 81 Cb -0.18 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3kxf s ALA 81 CO -0.06 -1.11 -0.18 0.00 0.00 0.00 0.00 175.76 174.41 3kxf s ALA 82 N -1.16 1.50 0.62 0.00 0.00 -1.26 -0.86 121.76 120.59 3kxf s ALA 82 Ca 0.56 -0.82 0.26 0.00 0.00 0.00 0.00 51.96 51.96 3kxf s ALA 82 Cb -0.45 -0.35 1.23 0.00 0.00 0.00 0.00 23.12 23.55 3kxf s ALA 82 CO 0.60 0.35 1.67 -1.00 0.00 0.00 0.00 175.76 177.39 3kxf h PRO 83 N 5.49 0.00 0.00 0.00 0.13 -1.94 0.39 132.00 136.07 3kxf h PRO 83 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3kxf h PRO 83 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3kxf h PRO 83 CO 0.47 0.00 -0.02 0.66 -0.23 0.00 0.00 178.00 178.88 3kxf h SER 84 N 0.00 0.00 0.17 1.44 4.64 -1.96 -2.43 113.55 115.41 3kxf h SER 84 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3kxf h SER 84 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 3kxf h SER 84 CO -0.00 0.02 -0.05 0.00 -0.87 0.00 0.00 176.83 175.93 3kxf n GLN 85 N -3.20 0.98 -1.60 4.77 6.02 0.14 -4.76 117.38 119.73 3kxf n GLN 85 Ca -0.02 -0.30 -0.43 0.00 -0.01 0.00 0.00 57.00 56.24 3kxf n GLN 85 Cb 0.17 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3kxf n GLN 85 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3kxf n THR 86 N -0.74 0.36 -3.77 5.09 -1.04 -0.92 -4.86 114.28 108.41 3kxf n THR 86 Ca 0.18 -0.44 -0.01 0.00 -2.04 0.00 0.00 64.05 61.74 3kxf n THR 86 Cb 0.24 -2.53 -0.00 0.00 -1.82 0.00 0.00 70.33 66.22 3kxf n THR 86 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kxf s SER 87 N 8.14 -0.08 -0.25 8.00 0.15 -1.13 -4.99 113.70 123.55 3kxf s SER 87 Ca 1.01 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 57.21 3kxf s SER 87 Cb -0.35 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.26 3kxf s SER 87 CO 0.36 -0.66 0.12 -0.69 1.20 0.00 0.00 173.24 173.57 3kxf s VAL 88 N -2.61 4.89 -0.13 4.45 1.01 -1.10 -1.43 120.40 125.49 3kxf s VAL 88 Ca 0.17 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 3kxf s VAL 88 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3kxf s VAL 88 CO 0.01 0.33 0.06 -0.31 0.00 0.00 0.00 175.10 175.19 3kxf s TYR 89 N 1.36 3.30 -0.01 5.22 1.51 -0.95 0.12 117.35 127.90 3kxf s TYR 89 Ca 0.06 0.23 0.06 0.00 -1.01 0.00 0.00 57.07 56.41 3kxf s TYR 89 Cb -0.15 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 3kxf s TYR 89 CO 0.06 0.43 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.68 3kxf s PHE 90 N -0.48 1.60 -0.11 2.71 0.08 0.23 -2.21 117.98 119.80 3kxf s PHE 90 Ca 0.10 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3kxf s PHE 90 Cb -0.12 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 3kxf s PHE 90 CO 0.02 -0.02 -0.03 0.00 -0.10 0.00 0.00 175.22 175.09 3kxf s ALA 92 N -0.42 0.85 -0.42 0.00 0.00 0.20 0.54 121.76 122.52 3kxf s ALA 92 Ca 0.07 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.61 3kxf s ALA 92 Cb -0.12 -0.20 0.20 0.00 0.00 0.00 0.00 23.12 23.00 3kxf s ALA 92 CO 0.02 0.20 0.43 0.45 0.00 0.00 0.00 175.76 176.85 3kxf n SER 93 N 2.71 0.01 -4.77 0.00 2.88 0.32 -0.49 113.62 114.28 3kxf n SER 93 Ca -0.14 -2.55 -0.39 0.00 -1.33 0.00 0.00 58.87 54.46 3kxf n SER 93 Cb 0.56 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 3kxf n SER 93 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3kxf s PRO 94 N -0.54 3.79 0.00 -1.46 0.04 -1.26 -4.66 135.00 130.91 3kxf s PRO 94 Ca 0.34 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3kxf s PRO 94 Cb 0.09 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3kxf s PRO 94 CO -0.16 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.67 3kxf n GLY 95 N 0.63 5.84 0.10 0.56 0.00 -1.26 -4.92 105.19 106.14 3kxf n GLY 95 Ca 0.06 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.22 3kxf n GLY 95 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kxf h LEU 96 N 0.00 -0.12 -7.29 0.99 3.38 -2.04 -3.41 115.31 106.82 3kxf h LEU 96 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3kxf h LEU 96 Cb 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3kxf h LEU 96 CO 0.00 0.35 2.08 0.00 0.09 0.00 0.00 178.44 180.96 3kxf n ALA 97 N -2.76 3.39 -0.24 1.53 0.00 -1.26 -4.75 120.51 116.41 3kxf n ALA 97 Ca -0.02 -3.52 -0.08 0.00 0.00 0.00 0.00 53.44 49.82 3kxf n ALA 97 Cb 0.06 -3.56 0.04 0.00 0.00 0.00 0.00 19.45 15.98 3kxf n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kxf h GLY 98 N 13.80 1.20 0.39 0.00 0.00 -1.88 -3.27 103.07 113.31 3kxf h GLY 98 Ca 0.40 -0.78 0.12 0.00 0.00 0.00 0.00 47.33 47.07 3kxf h GLY 98 CO 1.56 0.72 0.44 0.83 0.00 0.00 0.00 176.54 180.09 3kxf h GLU 99 N 1.04 0.67 0.00 4.80 3.07 -1.99 -2.83 114.58 119.33 3kxf h GLU 99 Ca 0.21 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3kxf h GLU 99 Cb 0.41 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3kxf h GLU 99 CO 0.01 0.44 -0.42 2.48 -1.40 0.00 0.00 179.01 180.12 3kxf n TYR 100 N -4.82 0.00 -4.01 4.33 4.11 -1.25 -5.02 117.16 110.50 3kxf n TYR 100 Ca 0.15 -1.38 -0.09 0.00 -0.00 0.00 0.00 57.90 56.57 3kxf n TYR 100 Cb 0.34 -0.23 -0.11 0.00 -0.00 0.00 0.00 39.34 39.35 3kxf n TYR 100 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3kxf s GLU 101 N -3.09 0.39 -0.28 -3.48 2.02 -1.07 -5.15 118.70 108.04 3kxf s GLU 101 Ca 0.37 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.54 3kxf s GLU 101 Cb 0.35 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.65 3kxf s GLU 101 CO -0.05 -0.05 0.09 -1.14 0.02 0.00 0.00 175.26 174.13 3kxf s GLN 102 N -1.90 3.34 -0.06 1.61 2.00 -1.26 -4.82 119.66 118.57 3kxf s GLN 102 Ca -0.11 -0.69 0.12 0.00 -2.00 0.00 0.00 55.36 52.67 3kxf s GLN 102 Cb -0.07 -3.40 0.35 0.00 0.80 0.00 0.00 33.01 30.69 3kxf s GLN 102 CO -0.02 -0.35 1.28 0.66 -0.50 0.00 0.00 175.29 176.36 3kxf n TYR 103 N 4.92 0.55 -4.28 1.67 0.53 -1.26 -3.50 117.16 115.78 3kxf n TYR 103 Ca -0.15 -0.65 -0.21 0.00 -1.02 0.00 0.00 57.90 55.88 3kxf n TYR 103 Cb 0.49 -0.13 -0.13 0.00 -1.03 0.00 0.00 39.34 38.55 3kxf n TYR 103 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3kxf s PHE 104 N -1.68 1.40 0.78 -0.72 0.40 -1.26 -0.52 117.98 116.38 3kxf s PHE 104 Ca 0.27 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 3kxf s PHE 104 Cb 0.19 -0.80 0.06 0.00 0.51 0.00 0.00 43.02 42.98 3kxf s PHE 104 CO 0.11 0.09 1.09 0.20 0.70 0.00 0.00 175.22 177.42 3kxf s GLY 105 N -1.60 1.67 0.55 4.36 0.00 0.19 -4.65 107.32 107.85 3kxf s GLY 105 Ca 0.02 0.26 0.31 0.00 0.00 0.00 0.00 44.72 45.31 3kxf s GLY 105 CO 0.02 0.61 2.12 -0.56 0.00 0.00 0.00 173.10 175.30 3kxf h PRO 106 N -1.15 0.00 0.00 2.90 0.13 -1.89 -3.44 132.00 128.55 3kxf h PRO 106 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3kxf h PRO 106 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kxf h PRO 106 CO 0.51 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 3kxf n GLY 107 N -0.68 2.78 2.90 1.56 0.00 -1.26 -5.08 105.19 105.40 3kxf n GLY 107 Ca -0.02 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 3kxf n GLY 107 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kxf s THR 108 N -2.78 -0.56 -0.15 2.61 -1.32 -0.94 -4.74 115.64 107.75 3kxf s THR 108 Ca 0.00 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 3kxf s THR 108 Cb 0.00 -0.79 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 3kxf s THR 108 CO 0.00 -0.13 1.07 -0.13 -2.21 0.00 0.00 174.62 173.22 3kxf s ARG 109 N 2.52 4.33 0.10 7.08 1.81 -0.06 -2.23 118.95 132.50 3kxf s ARG 109 Ca 0.12 1.44 0.08 0.00 -1.72 0.00 0.00 55.73 55.65 3kxf s ARG 109 Cb -0.15 -3.61 -0.04 0.00 -0.45 0.00 0.00 34.95 30.70 3kxf s ARG 109 CO -0.15 -0.50 -0.16 -1.17 -0.68 0.00 0.00 175.30 172.64 3kxf s LEU 110 N 2.66 2.77 -0.10 2.53 0.20 -0.51 -1.79 118.68 124.44 3kxf s LEU 110 Ca 0.48 -0.50 -0.04 0.00 0.69 0.00 0.00 54.13 54.76 3kxf s LEU 110 Cb -0.18 -1.61 0.05 0.00 -0.43 0.00 0.00 46.19 44.02 3kxf s LEU 110 CO 0.13 0.19 0.19 -0.89 -0.29 0.00 0.00 176.35 175.68 3kxf s THR 111 N -1.13 -0.30 -0.29 3.68 2.01 -0.97 -2.84 115.64 115.79 3kxf s THR 111 Ca 0.18 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 3kxf s THR 111 Cb -0.11 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3kxf s THR 111 CO 0.10 0.14 0.22 -0.69 -0.69 0.00 0.00 174.62 173.70 3kxf s VAL 112 N 2.31 5.29 0.29 3.82 1.01 -1.26 -0.23 120.40 131.64 3kxf s VAL 112 Ca 0.02 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.21 3kxf s VAL 112 Cb -0.12 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3kxf s VAL 112 CO -0.07 0.17 -0.04 0.28 0.00 0.00 0.00 175.10 175.45 3kxf s THR 113 N 1.78 2.94 0.19 3.92 -1.32 0.48 -4.53 115.64 119.10 3kxf s THR 113 Ca 0.08 -2.05 0.07 0.00 -1.21 0.00 0.00 61.69 58.58 3kxf s THR 113 Cb -0.16 -2.70 -0.13 0.00 -1.51 0.00 0.00 72.50 68.00 3kxf s THR 113 CO 0.11 -0.32 1.42 -0.33 -2.21 0.00 0.00 174.62 173.29 3kxf h GLU 114 N 1.95 0.04 -2.31 7.08 5.08 -1.96 0.46 114.58 124.91 3kxf h GLU 114 Ca -0.43 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 3kxf h GLU 114 Cb 1.25 0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.32 3kxf h GLU 114 CO 0.62 0.85 0.04 0.34 -1.00 0.00 0.00 179.01 179.86 3kxf s ASP 115 N -6.81 -0.53 0.52 1.42 2.15 -1.26 -4.65 116.67 107.51 3kxf s ASP 115 Ca -0.01 0.60 0.31 0.00 0.43 0.00 0.00 52.55 53.88 3kxf s ASP 115 Cb 0.11 0.55 1.16 0.00 -0.30 0.00 0.00 42.92 44.44 3kxf s ASP 115 CO 0.80 -0.53 1.91 -0.07 -0.17 0.00 0.00 175.17 177.11 3kxf h LEU 116 N 3.46 0.00 0.00 -1.34 3.38 -1.95 -2.02 115.31 116.83 3kxf h LEU 116 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3kxf h LEU 116 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kxf h LEU 116 CO 0.37 0.03 0.00 1.17 0.09 0.00 0.00 178.44 180.10 3kxf n LYS 117 N -3.13 0.75 0.00 1.13 4.81 -1.26 -2.19 118.16 118.27 3kxf n LYS 117 Ca 0.01 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 3kxf n LYS 117 Cb 0.35 -1.49 0.50 0.00 0.02 0.00 0.00 35.03 34.42 3kxf n LYS 117 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3kxf n ASN 118 N -0.99 0.00 -4.62 3.14 5.03 -0.76 -4.81 115.26 112.25 3kxf n ASN 118 Ca 0.18 0.45 -0.40 0.00 0.87 0.00 0.00 54.58 55.69 3kxf n ASN 118 Cb 0.08 -0.48 -0.08 0.00 -1.02 0.00 0.00 39.78 38.28 3kxf n ASN 118 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kxf s VAL 119 N -2.96 5.10 -0.02 2.41 1.01 -0.93 -4.68 120.40 120.33 3kxf s VAL 119 Ca 0.12 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.96 3kxf s VAL 119 Cb 0.15 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3kxf s VAL 119 CO 0.42 0.12 -0.17 -0.36 0.00 0.00 0.00 175.10 175.10 3kxf s PHE 120 N 2.16 1.56 0.84 5.22 0.08 -0.08 -4.70 117.98 123.04 3kxf s PHE 120 Ca 0.20 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 3kxf s PHE 120 Cb -0.16 -1.01 0.09 0.00 -0.57 0.00 0.00 43.02 41.38 3kxf s PHE 120 CO 0.09 -0.04 1.10 -1.25 -0.10 0.00 0.00 175.22 175.02 3kxf s PRO 121 N -0.34 1.75 0.55 0.24 0.04 -1.26 -1.21 135.00 134.77 3kxf s PRO 121 Ca 0.05 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 3kxf s PRO 121 Cb -0.07 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 3kxf s PRO 121 CO -0.00 -1.85 0.98 -1.25 0.04 0.00 0.00 177.00 174.91 3kxf s PRO 122 N -5.10 3.77 -0.16 0.56 0.04 -1.26 -4.29 135.00 128.55 3kxf s PRO 122 Ca 0.62 0.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 3kxf s PRO 122 Cb -0.15 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3kxf s PRO 122 CO 0.55 -0.37 -0.01 -1.21 0.04 0.00 0.00 177.00 175.99 3kxf s GLU 123 N -4.54 3.74 -0.12 4.56 2.02 0.78 -4.93 118.70 120.20 3kxf s GLU 123 Ca 0.56 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 55.10 3kxf s GLU 123 Cb -0.10 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.14 3kxf s GLU 123 CO 0.41 0.24 -0.22 0.08 0.02 0.00 0.00 175.26 175.79 3kxf s VAL 124 N 0.39 2.14 -0.08 2.63 1.01 -1.26 -0.79 120.40 124.43 3kxf s VAL 124 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3kxf s VAL 124 Cb -0.14 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3kxf s VAL 124 CO 0.02 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.60 3kxf s ALA 125 N 0.61 1.11 0.05 5.51 0.00 -1.11 -4.41 121.76 123.52 3kxf s ALA 125 Ca -0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 3kxf s ALA 125 Cb -0.17 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 3kxf s ALA 125 CO 0.03 -0.18 0.72 0.08 0.00 0.00 0.00 175.76 176.42 3kxf s VAL 126 N 1.25 4.72 -0.14 0.00 1.01 -1.26 -0.80 120.40 125.19 3kxf s VAL 126 Ca -0.04 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 3kxf s VAL 126 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 3kxf s VAL 126 CO -0.03 0.40 -0.12 -0.36 0.00 0.00 0.00 175.10 175.00 3kxf s PHE 127 N -0.27 2.84 0.20 5.22 0.40 0.29 -4.98 117.98 121.68 3kxf s PHE 127 Ca 0.36 -0.62 -0.21 0.00 -0.60 0.00 0.00 56.93 55.87 3kxf s PHE 127 Cb -0.20 -1.86 -0.08 0.00 0.51 0.00 0.00 43.02 41.38 3kxf s PHE 127 CO 0.22 -0.20 0.72 -1.21 0.70 0.00 0.00 175.22 175.45 3kxf s GLU 128 N 0.38 4.30 0.60 0.44 2.02 -1.26 -1.88 118.70 123.30 3kxf s GLU 128 Ca -0.10 0.91 -0.20 0.00 0.02 0.00 0.00 54.97 55.61 3kxf s GLU 128 Cb -0.16 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 3kxf s GLU 128 CO 0.05 0.44 1.31 -1.25 0.02 0.00 0.00 175.26 175.83 3kxf s PRO 129 N -1.77 2.83 0.39 0.39 0.04 -1.23 -4.95 135.00 130.71 3kxf s PRO 129 Ca 0.41 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 63.30 3kxf s PRO 129 Cb -0.18 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3kxf s PRO 129 CO 0.22 -1.39 1.04 -1.54 0.04 0.00 0.00 177.00 175.37 3kxf s SER 130 N -1.25 6.82 0.00 6.66 1.04 -1.26 -4.92 113.70 120.79 3kxf s SER 130 Ca 0.78 2.02 0.15 0.00 0.48 0.00 0.00 55.95 59.39 3kxf s SER 130 Cb -0.38 -2.59 0.90 0.00 0.10 0.00 0.00 66.02 64.05 3kxf s SER 130 CO 0.42 -0.45 1.36 -1.84 0.98 0.00 0.00 173.24 173.71 3kxf n GLU 131 N 0.01 0.44 -0.02 4.02 0.28 -1.26 -3.09 120.64 121.01 3kxf n GLU 131 Ca 0.05 0.03 -0.22 0.00 -0.16 0.00 0.00 57.16 56.86 3kxf n GLU 131 Cb 0.50 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.73 3kxf n GLU 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kxf h ALA 132 N 2.92 0.32 -0.23 -1.84 0.00 -1.97 -3.25 119.26 115.21 3kxf h ALA 132 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 3kxf h ALA 132 Cb 0.03 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kxf h ALA 132 CO 0.00 1.04 0.15 1.49 0.00 0.00 0.00 179.25 181.93 3kxf h GLU 133 N -0.29 0.31 0.06 0.00 4.81 -1.90 -3.22 114.58 114.36 3kxf h GLU 133 Ca -0.38 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 3kxf h GLU 133 Cb 1.79 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.06 3kxf h GLU 133 CO 0.01 0.23 -0.29 0.82 -0.73 0.00 0.00 179.01 179.05 3kxf h ILE 134 N 0.30 0.36 0.00 2.32 2.04 -1.63 -1.19 117.51 119.71 3kxf h ILE 134 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3kxf h ILE 134 Cb -0.00 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3kxf h ILE 134 CO -0.02 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.59 3kxf n SER 135 N -5.40 0.83 0.00 1.72 3.41 -1.22 -0.84 113.62 112.13 3kxf n SER 135 Ca -0.06 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3kxf n SER 135 Cb 0.31 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3kxf n SER 135 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kxf n HIS 136 N 0.12 0.00 0.00 7.33 -0.00 -0.95 -4.92 115.22 116.81 3kxf n HIS 136 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3kxf n HIS 136 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 3kxf n HIS 136 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3kxf n THR 137 N -1.28 0.00 -2.76 3.57 -2.24 -0.49 -5.02 114.28 106.05 3kxf n THR 137 Ca 0.00 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 3kxf n THR 137 Cb 0.09 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.21 3kxf n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kxf n GLN 138 N -1.02 -3.57 -4.55 -0.78 1.13 -0.02 -5.01 117.38 103.56 3kxf n GLN 138 Ca 0.00 0.96 -0.25 0.00 -1.94 0.00 0.00 57.00 55.77 3kxf n GLN 138 Cb 0.00 -5.74 -0.11 0.00 0.11 0.00 0.00 30.24 24.50 3kxf n GLN 138 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3kxf s LYS 139 N -5.43 1.83 -0.15 -1.09 -0.14 -1.26 -2.40 119.74 111.10 3kxf s LYS 139 Ca 0.18 -2.04 -0.05 0.00 -1.36 0.00 0.00 55.97 52.70 3kxf s LYS 139 Cb -0.08 -1.26 0.07 0.00 -1.68 0.00 0.00 37.83 34.88 3kxf s LYS 139 CO 0.22 -0.14 0.27 0.00 -0.76 0.00 0.00 175.35 174.94 3kxf s ALA 140 N -2.99 -0.58 -0.21 5.17 0.00 0.14 -3.72 121.76 119.57 3kxf s ALA 140 Ca 0.34 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 3kxf s ALA 140 Cb 0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 3kxf s ALA 140 CO 0.16 -0.77 0.02 0.99 0.00 0.00 0.00 175.76 176.17 3kxf s THR 141 N 2.43 4.16 0.06 0.00 2.01 -1.26 0.49 115.64 123.53 3kxf s THR 141 Ca 0.03 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 3kxf s THR 141 Cb -0.13 -2.89 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 3kxf s THR 141 CO -0.10 0.41 0.40 -0.76 -0.69 0.00 0.00 174.62 173.89 3kxf s LEU 142 N 1.02 4.37 -0.08 4.42 1.43 0.15 -3.47 118.68 126.52 3kxf s LEU 142 Ca 0.03 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 3kxf s LEU 142 Cb -0.14 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3kxf s LEU 142 CO 0.02 0.20 -0.19 -0.69 0.23 0.00 0.00 176.35 175.92 3kxf s VAL 143 N -1.33 2.53 -0.10 -1.59 1.01 -0.79 -1.90 120.40 118.22 3kxf s VAL 143 Ca 0.31 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3kxf s VAL 143 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3kxf s VAL 143 CO 0.17 0.56 0.03 0.00 0.00 0.00 0.00 175.10 175.85 3kxf s LEU 145 N -0.75 2.78 -0.39 0.00 2.96 0.02 -1.63 118.68 121.67 3kxf s LEU 145 Ca 0.12 -2.46 -0.25 0.00 -0.22 0.00 0.00 54.13 51.32 3kxf s LEU 145 Cb -0.12 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.53 3kxf s LEU 145 CO 0.02 -0.30 0.91 0.00 -1.32 0.00 0.00 176.35 175.67 3kxf s ALA 146 N 0.56 3.37 0.07 5.97 0.00 0.53 -2.76 121.76 129.51 3kxf s ALA 146 Ca 0.16 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3kxf s ALA 146 Cb -0.23 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 3kxf s ALA 146 CO -0.04 -1.69 -0.10 0.95 0.00 0.00 0.00 175.76 174.88 3kxf s THR 147 N 3.49 0.84 0.00 0.00 -4.23 0.03 0.69 115.64 116.46 3kxf s THR 147 Ca 0.37 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3kxf s THR 147 Cb -0.12 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.72 3kxf s THR 147 CO 0.20 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3kxf n GLY 148 N 1.10 0.62 3.85 3.99 0.00 -1.08 -0.16 105.19 113.51 3kxf n GLY 148 Ca -0.20 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 3kxf n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kxf s PHE 149 N -2.00 3.65 -0.16 1.61 -0.71 -0.99 -4.62 117.98 114.77 3kxf s PHE 149 Ca 0.00 0.94 -0.11 0.00 -1.04 0.00 0.00 56.93 56.72 3kxf s PHE 149 Cb 0.00 -2.26 0.05 0.00 -1.21 0.00 0.00 43.02 39.60 3kxf s PHE 149 CO 0.00 0.56 0.39 -0.47 -1.34 0.00 0.00 175.22 174.35 3kxf s TYR 150 N -1.27 -0.51 0.93 3.49 5.04 -0.35 -0.38 117.35 124.30 3kxf s TYR 150 Ca 0.30 1.15 -0.14 0.00 -2.44 0.00 0.00 57.07 55.95 3kxf s TYR 150 Cb -0.15 0.20 0.15 0.00 0.35 0.00 0.00 41.96 42.51 3kxf s TYR 150 CO 0.16 -0.28 1.18 -1.25 -1.34 0.00 0.00 175.55 174.02 3kxf s PRO 151 N 0.93 0.94 0.00 4.97 0.04 -1.26 -0.91 135.00 139.72 3kxf s PRO 151 Ca -0.06 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.07 3kxf s PRO 151 Cb -0.06 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3kxf s PRO 151 CO -0.07 -2.29 0.58 -0.40 0.04 0.00 0.00 177.00 174.86 3kxf n ASP 152 N -3.79 1.61 -4.56 6.66 5.68 -1.26 -4.72 116.55 116.17 3kxf n ASP 152 Ca 0.09 -1.42 -0.38 0.00 -0.50 0.00 0.00 54.79 52.58 3kxf n ASP 152 Cb 0.60 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3kxf n ASP 152 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3kxf s HIS 153 N -0.18 2.30 -0.12 2.11 3.76 -1.26 -4.93 115.29 116.97 3kxf s HIS 153 Ca 0.00 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.51 3kxf s HIS 153 Cb 0.00 -4.53 0.05 0.00 1.11 0.00 0.00 32.58 29.21 3kxf s HIS 153 CO 0.00 -1.95 0.29 0.14 -0.85 0.00 0.00 174.74 172.37 3kxf s VAL 154 N 6.30 -0.07 -0.36 -0.90 -7.23 -1.26 -1.36 120.40 115.52 3kxf s VAL 154 Ca 0.50 0.14 -0.06 0.00 -1.81 0.00 0.00 61.98 60.75 3kxf s VAL 154 Cb -0.03 -0.44 0.06 0.00 0.56 0.00 0.00 36.38 36.52 3kxf s VAL 154 CO -0.02 0.06 0.13 -1.61 -0.31 0.00 0.00 175.10 173.35 3kxf s GLU 155 N 1.40 2.51 -0.09 4.82 2.02 0.23 -4.92 118.70 124.66 3kxf s GLU 155 Ca -0.09 -1.33 -0.12 0.00 0.02 0.00 0.00 54.97 53.46 3kxf s GLU 155 Cb -0.10 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 3kxf s GLU 155 CO -0.10 -0.77 0.27 -1.17 0.02 0.00 0.00 175.26 173.52 3kxf s LEU 156 N 1.35 4.38 -0.00 1.80 0.20 -1.26 -1.44 118.68 123.70 3kxf s LEU 156 Ca -0.00 0.64 -0.08 0.00 0.69 0.00 0.00 54.13 55.38 3kxf s LEU 156 Cb -0.21 -2.33 0.00 0.00 -0.43 0.00 0.00 46.19 43.23 3kxf s LEU 156 CO 0.01 0.29 0.15 -0.94 -0.29 0.00 0.00 176.35 175.58 3kxf s SER 157 N -0.62 -0.01 -0.15 3.68 1.04 -0.90 -5.04 113.70 111.71 3kxf s SER 157 Ca 0.18 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.39 3kxf s SER 157 Cb -0.14 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3kxf s SER 157 CO 0.07 -0.35 0.13 0.26 0.98 0.00 0.00 173.24 174.33 3kxf s TRP 158 N -1.27 3.51 -0.13 5.02 0.52 -1.26 -2.05 118.94 123.28 3kxf s TRP 158 Ca -0.13 0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.44 3kxf s TRP 158 Cb -0.07 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 3kxf s TRP 158 CO 0.02 0.55 -0.19 -1.58 0.02 0.00 0.00 176.95 175.77 3kxf s TRP 159 N -0.45 2.37 -0.22 -1.98 0.52 0.15 -1.89 118.94 117.44 3kxf s TRP 159 Ca 0.12 -1.18 0.00 0.00 0.02 0.00 0.00 56.10 55.06 3kxf s TRP 159 Cb -0.12 -1.65 0.03 0.00 -1.15 0.00 0.00 33.47 30.58 3kxf s TRP 159 CO 0.01 -0.57 -0.13 0.08 0.02 0.00 0.00 176.95 176.36 3kxf s VAL 160 N 0.94 2.40 -1.36 4.03 1.01 0.77 -0.80 120.40 127.39 3kxf s VAL 160 Ca -0.06 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 3kxf s VAL 160 Cb -0.15 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 3kxf s VAL 160 CO -0.03 0.32 0.52 0.59 0.00 0.00 0.00 175.10 176.51 3kxf n ASN 161 N 4.61 -0.70 0.00 3.32 3.02 -0.51 -2.33 115.26 122.68 3kxf n ASN 161 Ca -0.18 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3kxf n ASN 161 Cb 0.48 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 3kxf n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kxf n GLY 162 N -1.83 0.58 3.46 7.41 0.00 -1.26 -5.00 105.19 108.55 3kxf n GLY 162 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 3kxf n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxf s LYS 163 N -0.42 2.52 -0.74 1.61 1.02 -0.98 -5.08 119.74 117.67 3kxf s LYS 163 Ca 0.00 -0.71 -0.25 0.00 0.02 0.00 0.00 55.97 55.03 3kxf s LYS 163 Cb 0.00 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 34.99 3kxf s LYS 163 CO 0.00 0.60 1.18 -2.00 -0.92 0.00 0.00 175.35 174.22 3kxf s GLU 164 N -0.67 3.20 0.46 1.68 2.12 -1.26 -0.16 118.70 124.06 3kxf s GLU 164 Ca 0.10 -0.52 -0.20 0.00 0.36 0.00 0.00 54.97 54.71 3kxf s GLU 164 Cb -0.11 -4.29 -0.10 0.00 0.26 0.00 0.00 34.13 29.90 3kxf s GLU 164 CO 0.01 -2.04 0.98 0.14 -0.54 0.00 0.00 175.26 173.81 3kxf s VAL 165 N 5.08 4.21 0.00 3.70 -7.23 -0.79 -4.98 120.40 120.38 3kxf s VAL 165 Ca 0.31 1.34 0.00 0.00 -1.81 0.00 0.00 61.98 61.82 3kxf s VAL 165 Cb -0.10 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.28 3kxf s VAL 165 CO 0.11 -0.34 0.00 1.41 -0.31 0.00 0.00 175.10 175.98 3kxf n HIS 166 N -0.86 0.00 -2.40 2.82 8.25 -1.26 -4.50 115.22 117.26 3kxf n HIS 166 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 3kxf n HIS 166 Cb 0.54 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 3kxf n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kxf s SER 167 N -2.07 7.13 0.00 0.41 0.15 -1.26 -3.24 113.70 114.81 3kxf s SER 167 Ca 0.00 2.23 0.00 0.00 0.70 0.00 0.00 55.95 58.88 3kxf s SER 167 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3kxf s SER 167 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 3kxf n GLY 168 N 1.97 0.56 3.64 9.45 0.00 -1.26 -4.91 105.19 114.64 3kxf n GLY 168 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3kxf n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kxf s VAL 169 N -2.07 4.25 -0.04 1.61 1.01 -1.20 -0.37 120.40 123.60 3kxf s VAL 169 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3kxf s VAL 169 Cb 0.00 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3kxf s VAL 169 CO 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 3kxf s THR 171 N 0.31 0.68 -0.08 0.00 2.01 -1.26 0.73 115.64 118.02 3kxf s THR 171 Ca -0.06 -0.19 -0.39 0.00 0.31 0.00 0.00 61.69 61.36 3kxf s THR 171 Cb -0.11 -0.69 -0.19 0.00 0.01 0.00 0.00 72.50 71.52 3kxf s THR 171 CO 0.01 0.26 1.09 0.47 -0.69 0.00 0.00 174.62 175.77 3kxf n ASP 172 N 4.14 0.19 0.28 3.53 8.00 -0.86 -4.78 116.55 127.05 3kxf n ASP 172 Ca -0.22 1.10 0.12 0.00 0.71 0.00 0.00 54.79 56.50 3kxf n ASP 172 Cb 0.51 -0.86 0.80 0.00 -0.02 0.00 0.00 41.12 41.55 3kxf n ASP 172 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3kxf h PRO 173 N 3.15 0.00 -2.60 -0.24 0.11 -1.99 -3.42 132.00 127.01 3kxf h PRO 173 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3kxf h PRO 173 Cb 1.33 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.20 3kxf h PRO 173 CO 0.67 0.02 -0.20 -2.00 -0.21 0.00 0.00 178.00 176.27 3kxf s GLU 174 N -4.72 0.50 1.04 1.05 2.12 -1.26 -5.17 118.70 112.26 3kxf s GLU 174 Ca -0.05 0.72 -0.22 0.00 0.36 0.00 0.00 54.97 55.77 3kxf s GLU 174 Cb 0.16 0.17 -0.07 0.00 0.26 0.00 0.00 34.13 34.64 3kxf s GLU 174 CO 0.59 -0.10 -0.81 -2.30 -0.54 0.00 0.00 175.26 172.11 3kxf n PRO 175 N 3.34 -0.57 -3.83 4.30 -0.02 -1.26 -5.01 135.00 131.96 3kxf n PRO 175 Ca -0.17 -0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 60.90 3kxf n PRO 175 Cb 0.56 -1.30 -0.17 0.00 -0.02 0.00 0.00 33.50 32.58 3kxf n PRO 175 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kxf s LEU 176 N 4.21 1.12 0.16 2.45 2.96 0.26 -4.92 118.68 124.91 3kxf s LEU 176 Ca 0.45 -0.41 -0.31 0.00 -0.22 0.00 0.00 54.13 53.63 3kxf s LEU 176 Cb -0.02 -0.70 -0.10 0.00 0.50 0.00 0.00 46.19 45.86 3kxf s LEU 176 CO 0.68 -0.19 1.68 -0.54 -1.32 0.00 0.00 176.35 176.67 3kxf s LYS 177 N 1.79 4.17 0.21 1.98 1.02 -1.26 -0.36 119.74 127.29 3kxf s LYS 177 Ca 0.03 2.49 0.05 0.00 0.02 0.00 0.00 55.97 58.55 3kxf s LYS 177 Cb -0.14 -3.28 0.17 0.00 -0.52 0.00 0.00 37.83 34.06 3kxf s LYS 177 CO -0.07 -0.72 1.50 0.93 -0.92 0.00 0.00 175.35 176.07 3kxf h GLU 178 N 7.38 0.18 -2.53 1.68 5.08 -1.03 -3.35 114.58 122.00 3kxf h GLU 178 Ca -0.43 -0.15 -0.59 0.00 -1.00 0.00 0.00 59.36 57.18 3kxf h GLU 178 Cb 1.21 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.10 3kxf h GLU 178 CO 0.94 0.81 -0.89 1.14 -1.00 0.00 0.00 179.01 180.01 3kxf s GLN 179 N -3.53 0.86 0.09 2.33 0.00 -1.26 -5.03 119.66 113.12 3kxf s GLN 179 Ca -0.03 -1.85 0.01 0.00 -0.00 0.00 0.00 55.36 53.49 3kxf s GLN 179 Cb 0.11 -1.53 0.07 0.00 0.00 0.00 0.00 33.01 31.67 3kxf s GLN 179 CO 0.80 -1.30 0.70 -2.30 0.00 0.00 0.00 175.29 173.20 3kxf n PRO 180 N 3.33 0.01 -0.05 9.60 -0.02 -1.26 -2.45 135.00 144.16 3kxf n PRO 180 Ca 0.21 0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 3kxf n PRO 180 Cb 0.42 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 3kxf n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxf h ALA 181 N 0.42 0.30 -2.70 3.55 0.00 -1.96 -3.44 119.26 115.43 3kxf h ALA 181 Ca 0.00 -0.48 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 3kxf h ALA 181 Cb 0.90 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3kxf h ALA 181 CO 0.00 0.45 -0.11 -0.48 0.00 0.00 0.00 179.25 179.11 3kxf s LEU 182 N -8.72 4.49 0.00 0.00 2.34 -1.03 -4.98 118.68 110.79 3kxf s LEU 182 Ca -0.12 1.10 0.30 0.00 0.06 0.00 0.00 54.13 55.47 3kxf s LEU 182 Cb 0.07 -2.75 1.49 0.00 -0.56 0.00 0.00 46.19 44.44 3kxf s LEU 182 CO 0.84 0.28 2.04 -0.46 -1.06 0.00 0.00 176.35 177.98 3kxf n ASN 183 N 1.91 0.04 -0.62 1.48 6.94 -1.26 -2.47 115.26 121.27 3kxf n ASN 183 Ca -0.12 -0.16 0.08 0.00 -0.02 0.00 0.00 54.58 54.37 3kxf n ASN 183 Cb 0.51 -0.27 0.20 0.00 -2.36 0.00 0.00 39.78 37.86 3kxf n ASN 183 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kxf n ASP 184 N -1.27 3.29 -4.47 0.53 8.00 -1.26 -5.05 116.55 116.32 3kxf n ASP 184 Ca 0.14 -2.83 -0.34 0.00 0.71 0.00 0.00 54.79 52.47 3kxf n ASP 184 Cb 0.25 -0.44 0.11 0.00 -0.02 0.00 0.00 41.12 41.01 3kxf n ASP 184 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3kxf n SER 185 N -0.57 -1.34 -4.89 -2.24 2.88 -1.03 -5.02 113.62 101.41 3kxf n SER 185 Ca 0.17 0.44 -0.29 0.00 -1.33 0.00 0.00 58.87 57.87 3kxf n SER 185 Cb 0.73 -1.26 -0.02 0.00 -0.75 0.00 0.00 64.21 62.92 3kxf n SER 185 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3kxf s ARG 186 N -3.46 3.68 0.23 -1.46 0.52 -1.26 -4.91 118.95 112.28 3kxf s ARG 186 Ca 0.62 0.33 0.09 0.00 -0.52 0.00 0.00 55.73 56.24 3kxf s ARG 186 Cb -0.26 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3kxf s ARG 186 CO 0.62 -0.08 0.01 0.71 0.02 0.00 0.00 175.30 176.58 3kxf s TYR 187 N -2.49 2.77 0.05 -0.53 2.02 0.49 -0.35 117.35 119.31 3kxf s TYR 187 Ca 0.49 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.05 3kxf s TYR 187 Cb -0.10 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3kxf s TYR 187 CO 0.36 0.57 -0.13 0.00 -1.57 0.00 0.00 175.55 174.78 3kxf s ALA 188 N -2.07 1.11 -0.04 3.71 0.00 0.51 -2.34 121.76 122.65 3kxf s ALA 188 Ca 0.30 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kxf s ALA 188 Cb -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3kxf s ALA 188 CO 0.19 0.19 0.03 -1.17 0.00 0.00 0.00 175.76 175.00 3kxf s LEU 189 N -1.30 0.63 0.00 0.00 2.96 0.22 -0.57 118.68 120.61 3kxf s LEU 189 Ca -0.00 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3kxf s LEU 189 Cb -0.08 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 3kxf s LEU 189 CO 0.01 -0.18 -0.01 -0.94 -1.32 0.00 0.00 176.35 173.91 3kxf s SER 190 N 1.65 5.02 0.06 3.68 1.04 -1.26 -0.34 113.70 123.54 3kxf s SER 190 Ca -0.01 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.40 3kxf s SER 190 Cb -0.13 -1.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 3kxf s SER 190 CO -0.03 0.28 -0.08 -0.55 0.98 0.00 0.00 173.24 173.84 3kxf s SER 191 N -1.54 0.96 -0.10 7.02 0.15 -0.65 -2.02 113.70 117.52 3kxf s SER 191 Ca 0.19 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.16 3kxf s SER 191 Cb -0.11 0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 3kxf s SER 191 CO 0.10 -0.28 -0.09 -0.13 1.20 0.00 0.00 173.24 174.04 3kxf s ARG 192 N -2.26 1.59 -0.28 5.44 0.52 0.22 -0.23 118.95 123.95 3kxf s ARG 192 Ca -0.03 -0.31 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 3kxf s ARG 192 Cb -0.05 -1.53 -0.02 0.00 0.52 0.00 0.00 34.95 33.86 3kxf s ARG 192 CO -0.01 -0.17 0.11 -1.17 0.02 0.00 0.00 175.30 174.08 3kxf s LEU 193 N 1.37 3.78 -0.21 2.53 2.96 -0.80 -0.26 118.68 128.05 3kxf s LEU 193 Ca -0.01 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3kxf s LEU 193 Cb -0.14 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3kxf s LEU 193 CO -0.05 -0.12 0.04 -0.60 -1.32 0.00 0.00 176.35 174.31 3kxf s ARG 194 N 1.61 3.74 0.00 1.98 3.52 0.50 0.29 118.95 130.59 3kxf s ARG 194 Ca 0.05 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3kxf s ARG 194 Cb -0.16 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3kxf s ARG 194 CO 0.05 0.05 0.00 1.33 -0.81 0.00 0.00 175.30 175.91 3kxf n VAL 195 N 4.19 0.00 -3.55 7.11 0.24 0.18 -4.60 118.33 121.91 3kxf n VAL 195 Ca -0.17 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.85 3kxf n VAL 195 Cb 0.52 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 3kxf n VAL 195 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kxf s SER 196 N -0.67 6.41 0.17 -1.34 1.04 -1.26 0.28 113.70 118.34 3kxf s SER 196 Ca 0.00 0.54 -0.23 0.00 0.48 0.00 0.00 55.95 56.73 3kxf s SER 196 Cb 0.00 -2.07 0.07 0.00 0.10 0.00 0.00 66.02 64.13 3kxf s SER 196 CO 0.00 -0.10 1.58 0.00 0.98 0.00 0.00 173.24 175.70 3kxf h ALA 197 N 1.90 -0.19 -0.98 5.32 0.00 -1.64 0.31 119.26 123.97 3kxf h ALA 197 Ca -0.48 0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.69 3kxf h ALA 197 Cb 1.19 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 3kxf h ALA 197 CO 0.67 -0.75 0.62 1.79 0.00 0.00 0.00 179.25 181.58 3kxf h THR 198 N -0.21 0.89 -0.14 0.00 1.35 -1.95 -1.80 112.91 111.04 3kxf h THR 198 Ca 0.20 -0.31 -0.19 0.00 -0.55 0.00 0.00 66.41 65.56 3kxf h THR 198 Cb 0.56 -0.11 0.01 0.00 -1.73 0.00 0.00 68.15 66.88 3kxf h THR 198 CO -0.65 0.17 -0.64 0.15 -0.25 0.00 0.00 175.52 174.29 3kxf h PHE 199 N 0.91 0.92 -0.05 4.73 3.04 -1.39 -3.11 116.94 121.99 3kxf h PHE 199 Ca 0.49 -0.40 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 3kxf h PHE 199 Cb 0.57 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 3kxf h PHE 199 CO -0.00 1.21 -0.40 2.35 -2.02 0.00 0.00 178.31 179.45 3kxf h TRP 200 N 0.37 0.11 0.00 0.41 2.91 -0.94 -3.08 115.95 115.72 3kxf h TRP 200 Ca -0.04 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.95 3kxf h TRP 200 Cb 1.28 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 3kxf h TRP 200 CO 0.10 0.49 0.00 1.96 -1.03 0.00 0.00 178.44 179.95 3kxf h GLN 201 N 0.08 0.00 -5.77 2.65 4.20 -1.27 -3.08 115.11 111.93 3kxf h GLN 201 Ca 0.01 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 3kxf h GLN 201 Cb 0.74 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.40 3kxf h GLN 201 CO 0.06 0.00 0.55 1.21 -0.67 0.00 0.00 178.83 179.98 3kxf s ASN 202 N -4.47 6.30 0.00 1.46 2.47 -1.17 -3.79 114.94 115.75 3kxf s ASN 202 Ca 0.06 -0.48 0.01 0.00 0.42 0.00 0.00 52.86 52.87 3kxf s ASN 202 Cb 0.10 -2.43 0.03 0.00 -1.45 0.00 0.00 41.25 37.50 3kxf s ASN 202 CO 0.46 -1.26 0.92 -2.65 -3.72 0.00 0.00 177.10 170.85 3kxf n PRO 203 N 7.49 0.00 -0.27 0.43 -0.02 -1.05 -1.71 135.00 139.88 3kxf n PRO 203 Ca 0.01 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3kxf n PRO 203 Cb 0.47 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.57 3kxf n PRO 203 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kxf h ARG 204 N 0.00 1.13 -6.88 -0.52 1.12 -1.91 -3.38 114.38 103.93 3kxf h ARG 204 Ca 0.00 -0.17 -0.51 0.00 -1.11 0.00 0.00 59.98 58.19 3kxf h ARG 204 Cb 0.01 -0.20 0.04 0.00 -0.01 0.00 0.00 29.97 29.81 3kxf h ARG 204 CO 0.00 0.88 0.53 -0.80 -3.11 0.00 0.00 179.97 177.47 3kxf s ASN 205 N -6.37 6.85 -0.09 -3.80 0.01 -0.70 -4.94 114.94 105.91 3kxf s ASN 205 Ca -0.12 2.40 0.03 0.00 -0.71 0.00 0.00 52.86 54.46 3kxf s ASN 205 Cb 0.16 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 3kxf s ASN 205 CO 0.82 -0.45 -0.19 -2.28 -1.51 0.00 0.00 177.10 173.49 3kxf s HIS 206 N -1.27 2.62 -0.18 2.20 5.65 -1.26 -2.58 115.29 120.48 3kxf s HIS 206 Ca 0.51 -0.65 0.01 0.00 0.25 0.00 0.00 55.06 55.17 3kxf s HIS 206 Cb -0.33 -1.70 0.02 0.00 -1.18 0.00 0.00 32.58 29.39 3kxf s HIS 206 CO 0.43 -0.18 -0.19 -0.06 -0.65 0.00 0.00 174.74 174.09 3kxf s PHE 207 N -0.02 2.66 -0.08 3.88 0.40 0.59 -1.42 117.98 123.99 3kxf s PHE 207 Ca -0.06 -1.58 0.03 0.00 -0.60 0.00 0.00 56.93 54.72 3kxf s PHE 207 Cb -0.15 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.54 3kxf s PHE 207 CO 0.05 -0.78 -0.16 0.50 0.70 0.00 0.00 175.22 175.52 3kxf s ARG 208 N 1.33 2.18 -0.14 0.44 3.52 0.02 -0.51 118.95 125.79 3kxf s ARG 208 Ca 0.05 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 3kxf s ARG 208 Cb -0.13 -1.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 3kxf s ARG 208 CO -0.12 0.05 0.11 0.00 -0.81 0.00 0.00 175.30 174.52 3kxf s GLN 210 N -0.61 1.05 -0.18 0.00 0.74 -0.87 -1.90 119.66 117.89 3kxf s GLN 210 Ca 0.12 -0.41 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 3kxf s GLN 210 Cb -0.12 -0.99 0.05 0.00 1.10 0.00 0.00 33.01 33.05 3kxf s GLN 210 CO 0.02 0.21 -0.03 0.08 -0.55 0.00 0.00 175.29 175.02 3kxf s VAL 211 N -0.09 1.00 -0.49 1.34 1.01 -0.86 -2.11 120.40 120.20 3kxf s VAL 211 Ca 0.01 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3kxf s VAL 211 Cb -0.07 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.08 3kxf s VAL 211 CO 0.00 0.03 0.93 -1.58 0.00 0.00 0.00 175.10 174.48 3kxf s GLN 212 N 1.67 3.47 -0.13 2.72 2.00 -0.52 -2.28 119.66 126.58 3kxf s GLN 212 Ca -0.00 0.03 -0.10 0.00 -2.00 0.00 0.00 55.36 53.29 3kxf s GLN 212 Cb -0.16 -3.97 -0.05 0.00 0.80 0.00 0.00 33.01 29.64 3kxf s GLN 212 CO -0.07 -1.31 0.21 0.12 -0.50 0.00 0.00 175.29 173.74 3kxf s PHE 213 N 3.83 3.54 -0.25 1.67 5.36 -0.16 -0.60 117.98 131.37 3kxf s PHE 213 Ca 0.35 0.56 -0.06 0.00 -0.96 0.00 0.00 56.93 56.82 3kxf s PHE 213 Cb -0.11 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 40.43 3kxf s PHE 213 CO 0.24 0.51 0.03 0.71 -1.46 0.00 0.00 175.22 175.26 3kxf s TYR 214 N -0.38 3.06 0.00 10.12 1.51 -0.47 -1.69 117.35 129.50 3kxf s TYR 214 Ca 0.15 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 3kxf s TYR 214 Cb -0.13 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3kxf s TYR 214 CO 0.04 -0.48 0.00 0.41 -1.11 0.00 0.00 175.55 174.41 3kxf n GLY 215 N 4.86 5.46 3.60 0.71 0.00 -1.26 -4.65 105.19 113.92 3kxf n GLY 215 Ca -0.16 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 3kxf n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxf n LEU 216 N 0.00 1.98 0.00 0.99 4.32 -0.46 -4.18 117.00 119.65 3kxf n LEU 216 Ca 0.00 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 3kxf n LEU 216 Cb 0.00 -1.31 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 3kxf n LEU 216 CO 0.00 -1.33 0.00 -0.24 -1.22 0.00 0.00 177.39 174.60 3kxf n SER 217 N 1.14 0.83 0.00 -1.43 2.88 -1.26 -3.37 113.62 112.42 3kxf n SER 217 Ca 0.09 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 3kxf n SER 217 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3kxf n SER 217 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kxf n GLU 218 N -0.35 0.00 -3.13 -1.46 1.02 -1.26 -3.54 120.64 111.92 3kxf n GLU 218 Ca 0.00 0.46 -0.45 0.00 -0.02 0.00 0.00 57.16 57.15 3kxf n GLU 218 Cb 0.00 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 3kxf n GLU 218 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3kxf s ASN 219 N -2.43 6.19 -0.06 1.62 3.04 -1.26 -5.00 114.94 117.04 3kxf s ASN 219 Ca 0.00 -1.37 -0.02 0.00 0.04 0.00 0.00 52.86 51.51 3kxf s ASN 219 Cb 0.00 -2.29 0.04 0.00 -1.54 0.00 0.00 41.25 37.45 3kxf s ASN 219 CO 0.00 -1.07 0.12 -1.81 -3.04 0.00 0.00 177.10 171.30 3kxf s ASP 220 N 3.48 0.06 0.38 -4.21 1.01 -1.23 -5.15 116.67 111.01 3kxf s ASP 220 Ca 0.12 0.23 -0.25 0.00 0.71 0.00 0.00 52.55 53.35 3kxf s ASP 220 Cb -0.24 0.12 -0.09 0.00 1.01 0.00 0.00 42.92 43.73 3kxf s ASP 220 CO 0.07 -0.16 1.12 -1.61 0.21 0.00 0.00 175.17 174.80 3kxf s GLU 221 N 1.30 4.18 -0.28 8.23 2.02 -1.26 -5.03 118.70 127.85 3kxf s GLU 221 Ca -0.07 1.72 0.01 0.00 0.02 0.00 0.00 54.97 56.64 3kxf s GLU 221 Cb -0.12 -2.71 0.17 0.00 0.10 0.00 0.00 34.13 31.57 3kxf s GLU 221 CO -0.05 -0.18 0.48 -0.46 0.02 0.00 0.00 175.26 175.07 3kxf s TRP 222 N -1.46 -1.26 -1.81 1.61 -0.11 -1.26 -5.00 118.94 109.65 3kxf s TRP 222 Ca 0.55 0.97 0.15 0.00 1.22 0.00 0.00 56.10 58.99 3kxf s TRP 222 Cb -0.28 0.17 0.13 0.00 -1.50 0.00 0.00 33.47 31.99 3kxf s TRP 222 CO 0.35 -0.90 0.99 0.25 -4.62 0.00 0.00 176.95 173.02 3kxf n THR 223 N 5.39 0.06 -2.32 5.86 -2.24 -1.26 -5.01 114.28 114.76 3kxf n THR 223 Ca -0.00 -0.53 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 3kxf n THR 223 Cb 0.51 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 3kxf n THR 223 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kxf s GLN 224 N -1.22 4.51 0.00 -0.78 -1.52 -1.26 -4.90 119.66 114.50 3kxf s GLN 224 Ca 0.18 1.98 0.09 0.00 -1.95 0.00 0.00 55.36 55.66 3kxf s GLN 224 Cb 0.13 -3.15 0.55 0.00 -0.22 0.00 0.00 33.01 30.32 3kxf s GLN 224 CO 0.19 0.02 0.97 -0.25 -0.25 0.00 0.00 175.29 175.97 3kxf n ASP 225 N 1.17 0.00 -4.81 5.90 8.00 -1.26 -4.67 116.55 120.89 3kxf n ASP 225 Ca -0.00 -0.58 -0.22 0.00 0.71 0.00 0.00 54.79 54.71 3kxf n ASP 225 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3kxf n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kxf s ARG 226 N -2.00 2.66 0.26 -1.24 1.70 -1.26 -5.09 118.95 113.98 3kxf s ARG 226 Ca 0.14 -1.32 -0.31 0.00 -0.47 0.00 0.00 55.73 53.77 3kxf s ARG 226 Cb 0.06 -2.41 -0.12 0.00 -0.57 0.00 0.00 34.95 31.92 3kxf s ARG 226 CO 0.11 0.16 1.59 0.00 -1.08 0.00 0.00 175.30 176.07 3kxf n ALA 227 N -1.27 2.31 -1.76 7.88 0.00 -1.26 -4.91 120.51 121.50 3kxf n ALA 227 Ca -0.03 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 3kxf n ALA 227 Cb 0.60 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 3kxf n ALA 227 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kxf s LYS 228 N -0.14 3.94 -0.91 0.00 2.20 -1.26 -4.85 119.74 118.71 3kxf s LYS 228 Ca 0.67 2.35 -0.09 0.00 -0.36 0.00 0.00 55.97 58.54 3kxf s LYS 228 Cb -0.53 -4.16 -0.07 0.00 -1.51 0.00 0.00 37.83 31.56 3kxf s LYS 228 CO 0.45 -1.17 2.09 -0.35 -0.36 0.00 0.00 175.35 176.01 3kxf n PRO 229 N 7.70 2.01 -2.76 4.03 -0.04 -1.26 -4.90 135.00 139.78 3kxf n PRO 229 Ca 0.21 -1.58 -0.28 0.00 -0.04 0.00 0.00 63.50 61.82 3kxf n PRO 229 Cb 0.42 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.30 3kxf n PRO 229 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kxf s VAL 230 N 3.72 4.91 0.11 0.52 -7.23 -1.26 -1.36 120.40 119.81 3kxf s VAL 230 Ca 0.44 0.21 -0.36 0.00 -1.81 0.00 0.00 61.98 60.47 3kxf s VAL 230 Cb 0.11 -3.84 -0.17 0.00 0.56 0.00 0.00 36.38 33.05 3kxf s VAL 230 CO -0.00 -0.75 1.27 0.41 -0.31 0.00 0.00 175.10 175.72 3kxf n THR 231 N -2.00 0.28 -3.65 5.32 -1.04 -1.22 -4.54 114.28 107.43 3kxf n THR 231 Ca 0.00 -0.07 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 3kxf n THR 231 Cb 0.55 -0.78 -0.02 0.00 -1.82 0.00 0.00 70.33 68.26 3kxf n THR 231 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kxf s GLN 232 N 0.20 1.01 -0.11 -2.82 -2.07 -0.68 -4.91 119.66 110.28 3kxf s GLN 232 Ca 0.81 -0.50 -0.05 0.00 -1.82 0.00 0.00 55.36 53.81 3kxf s GLN 232 Cb -0.94 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 31.33 3kxf s GLN 232 CO 0.49 -0.46 0.07 0.42 -1.32 0.00 0.00 175.29 174.50 3kxf s ILE 233 N -3.18 4.94 -0.08 3.63 1.01 -1.26 -0.99 121.20 125.27 3kxf s ILE 233 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.75 3kxf s ILE 233 Cb -0.01 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.35 3kxf s ILE 233 CO -0.02 0.60 -0.08 -0.69 0.00 0.00 0.00 174.94 174.74 3kxf s VAL 234 N -0.88 0.94 0.13 2.92 1.01 -0.96 -4.99 120.40 118.57 3kxf s VAL 234 Ca 0.14 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3kxf s VAL 234 Cb -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3kxf s VAL 234 CO 0.03 0.33 -0.19 -0.44 0.00 0.00 0.00 175.10 174.83 3kxf s SER 235 N 1.14 3.80 0.01 3.32 0.01 -1.26 -2.03 113.70 118.69 3kxf s SER 235 Ca -0.06 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3kxf s SER 235 Cb -0.14 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 3kxf s SER 235 CO -0.02 0.17 -0.12 0.00 0.41 0.00 0.00 173.24 173.68 3kxf s ALA 236 N -1.24 1.03 0.10 1.44 0.00 -0.80 -4.85 121.76 117.44 3kxf s ALA 236 Ca 0.18 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3kxf s ALA 236 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3kxf s ALA 236 CO 0.10 0.23 -0.11 -1.83 0.00 0.00 0.00 175.76 174.16 3kxf s GLU 237 N -0.56 0.85 0.07 0.00 -1.05 -1.26 -0.31 118.70 116.44 3kxf s GLU 237 Ca 0.03 -1.15 -0.15 0.00 -0.15 0.00 0.00 54.97 53.56 3kxf s GLU 237 Cb -0.06 -0.57 0.02 0.00 -0.44 0.00 0.00 34.13 33.08 3kxf s GLU 237 CO 0.00 0.09 0.34 0.00 0.95 0.00 0.00 175.26 176.64 3kxf s ALA 238 N -2.35 -0.76 0.46 -0.84 0.00 0.33 -4.90 121.76 113.71 3kxf s ALA 238 Ca 0.05 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.06 3kxf s ALA 238 Cb -0.03 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3kxf s ALA 238 CO 0.00 -0.48 0.19 -1.58 0.00 0.00 0.00 175.76 173.90 3kxf s TRP 239 N -2.94 2.22 -0.78 0.00 0.51 -1.26 -0.30 118.94 116.40 3kxf s TRP 239 Ca -0.02 -0.72 -0.26 0.00 -2.12 0.00 0.00 56.10 52.98 3kxf s TRP 239 Cb 0.00 -1.88 0.01 0.00 -0.81 0.00 0.00 33.47 30.80 3kxf s TRP 239 CO -0.06 0.05 1.52 0.20 -0.51 0.00 0.00 176.95 178.15 3kxf s GLY 240 N -3.98 0.71 0.10 0.98 0.00 -1.06 -4.95 107.32 99.11 3kxf s GLY 240 Ca 0.32 -1.37 -0.32 0.00 0.00 0.00 0.00 44.72 43.35 3kxf s GLY 240 CO 0.18 2.94 1.80 0.54 0.00 0.00 0.00 173.10 178.56 3kxf n ARG 241 N 9.19 2.61 0.12 2.90 5.12 -1.16 -2.53 116.66 132.90 3kxf n ARG 241 Ca 0.17 0.95 -0.11 0.00 -1.93 0.00 0.00 57.85 56.93 3kxf n ARG 241 Cb 0.50 -2.82 -0.07 0.00 -1.16 0.00 0.00 32.46 28.91 3kxf n ARG 241 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kxf h ALA 242 N 8.20 -0.36 0.00 7.54 0.00 -1.82 -3.32 119.26 129.50 3kxf h ALA 242 Ca -0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3kxf h ALA 242 Cb 1.23 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3kxf h ALA 242 CO 0.94 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 179.52