#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 1.71 0.32 1.61 0.11 -1.21 -3.38 120.40 119.56 3kxf s VAL 4 Ca 0.00 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 3kxf s VAL 4 Cb 0.00 -1.52 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 3kxf s VAL 4 CO 0.00 0.48 0.48 0.42 -3.33 0.00 0.00 175.10 173.15 3kxf s THR 5 N 0.71 4.80 -0.26 5.04 -4.23 0.33 -4.03 115.64 118.00 3kxf s THR 5 Ca -0.12 -0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 3kxf s THR 5 Cb -0.16 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.10 3kxf s THR 5 CO 0.02 -0.36 0.51 -1.58 -0.54 0.00 0.00 174.62 172.67 3kxf s GLN 6 N -4.20 0.45 0.01 3.99 0.74 -1.26 -1.63 119.66 117.77 3kxf s GLN 6 Ca 0.40 1.02 0.09 0.00 0.05 0.00 0.00 55.36 56.92 3kxf s GLN 6 Cb -0.09 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 3kxf s GLN 6 CO 0.33 -0.42 -0.26 0.95 -0.55 0.00 0.00 175.29 175.34 3kxf s THR 7 N 2.73 2.10 0.64 -0.34 -4.23 -0.85 -4.42 115.64 111.26 3kxf s THR 7 Ca 0.06 -1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 59.23 3kxf s THR 7 Cb -0.14 -1.77 0.14 0.00 1.34 0.00 0.00 72.50 72.08 3kxf s THR 7 CO -0.17 0.47 0.87 -0.81 -0.54 0.00 0.00 174.62 174.44 3kxf n PRO 8 N 2.11 -0.69 -0.04 3.99 -0.04 -1.26 -0.83 135.00 138.24 3kxf n PRO 8 Ca -0.16 -1.51 -0.19 0.00 -0.04 0.00 0.00 63.50 61.59 3kxf n PRO 8 Cb 0.51 -0.84 -0.13 0.00 -0.04 0.00 0.00 33.50 33.00 3kxf n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kxf n LYS 9 N -2.80 0.72 -4.18 0.54 4.81 -1.26 -4.54 118.16 111.45 3kxf n LYS 9 Ca 0.11 0.22 -0.17 0.00 -0.87 0.00 0.00 58.31 57.61 3kxf n LYS 9 Cb 0.40 -1.65 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 3kxf n LYS 9 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3kxf s PHE 10 N -2.55 1.16 -0.14 5.64 0.08 -1.26 -0.18 117.98 120.73 3kxf s PHE 10 Ca -0.25 -0.54 -0.19 0.00 0.12 0.00 0.00 56.93 56.08 3kxf s PHE 10 Cb 0.07 -0.64 0.05 0.00 -0.57 0.00 0.00 43.02 41.93 3kxf s PHE 10 CO 0.73 0.04 0.49 -1.14 -0.10 0.00 0.00 175.22 175.24 3kxf s GLN 11 N -2.20 0.66 -0.03 0.44 2.00 0.56 -4.91 119.66 116.17 3kxf s GLN 11 Ca 0.01 0.48 0.06 0.00 -2.00 0.00 0.00 55.36 53.92 3kxf s GLN 11 Cb -0.07 0.32 -0.02 0.00 0.80 0.00 0.00 33.01 34.03 3kxf s GLN 11 CO 0.02 -0.12 -0.21 0.08 -0.50 0.00 0.00 175.29 174.55 3kxf s VAL 12 N -0.21 2.49 0.00 1.34 1.01 -1.26 -1.97 120.40 121.81 3kxf s VAL 12 Ca -0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 3kxf s VAL 12 Cb -0.03 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3kxf s VAL 12 CO 0.03 0.58 0.20 -0.76 0.00 0.00 0.00 175.10 175.15 3kxf s LEU 13 N -0.65 1.32 0.06 3.92 1.43 -0.80 -5.00 118.68 118.96 3kxf s LEU 13 Ca 0.10 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3kxf s LEU 13 Cb -0.10 0.90 -0.05 0.00 0.03 0.00 0.00 46.19 46.96 3kxf s LEU 13 CO -0.00 -0.43 0.34 -0.75 0.23 0.00 0.00 176.35 175.74 3kxf s LYS 14 N -1.58 3.67 0.18 1.70 2.20 -1.26 -1.07 119.74 123.58 3kxf s LYS 14 Ca -0.13 0.04 -0.33 0.00 -0.36 0.00 0.00 55.97 55.19 3kxf s LYS 14 Cb -0.06 -3.01 -0.15 0.00 -1.51 0.00 0.00 37.83 33.10 3kxf s LYS 14 CO 0.01 0.58 1.27 2.41 -0.36 0.00 0.00 175.35 179.27 3kxf n THR 15 N 0.89 0.78 0.00 3.43 -1.04 -0.80 -2.53 114.28 115.00 3kxf n THR 15 Ca -0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3kxf n THR 15 Cb 0.52 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 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 2.18 1.93 3.95 3.41 0.00 -0.81 -4.87 105.19 110.98 3kxf n GLY 16 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3kxf n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kxf s GLN 17 N -0.94 2.75 0.48 1.61 -0.21 -1.05 -4.22 119.66 118.07 3kxf s GLN 17 Ca 0.00 -0.50 0.08 0.00 0.02 0.00 0.00 55.36 54.97 3kxf s GLN 17 Cb 0.00 -2.44 0.04 0.00 1.00 0.00 0.00 33.01 31.60 3kxf s GLN 17 CO 0.00 -0.61 0.63 -1.12 -2.12 0.00 0.00 175.29 172.07 3kxf s SER 18 N -4.34 5.37 0.00 5.90 0.01 -1.24 -0.96 113.70 118.44 3kxf s SER 18 Ca 0.54 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.17 3kxf s SER 18 Cb -0.10 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.86 3kxf s SER 18 CO 0.40 -0.97 0.00 0.80 0.41 0.00 0.00 173.24 173.88 3kxf n MET 19 N -1.96 0.00 -4.10 12.44 0.00 -1.09 -4.99 117.12 117.42 3kxf n MET 19 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.48 3kxf n MET 19 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.67 3kxf n MET 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3kxf s THR 20 N -1.17 2.03 -0.03 1.12 2.01 -1.26 -2.03 115.64 116.32 3kxf s THR 20 Ca 0.00 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 3kxf s THR 20 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3kxf s THR 20 CO 0.00 0.41 1.06 -0.76 -0.69 0.00 0.00 174.62 174.64 3kxf s LEU 21 N 1.27 4.32 -0.15 4.42 1.43 -0.55 -4.78 118.68 124.65 3kxf s LEU 21 Ca 0.02 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.77 3kxf s LEU 21 Cb -0.14 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3kxf s LEU 21 CO -0.11 -0.40 0.06 -1.10 0.23 0.00 0.00 176.35 175.03 3kxf s GLN 22 N 1.47 3.68 0.02 1.70 -0.21 -0.01 -1.80 119.66 124.51 3kxf s GLN 22 Ca 0.53 -0.33 0.09 0.00 0.02 0.00 0.00 55.36 55.66 3kxf s GLN 22 Cb -0.22 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 3kxf s GLN 22 CO 0.25 0.44 -0.26 0.00 -2.12 0.00 0.00 175.29 173.60 3kxf s ALA 24 N -0.75 0.03 -0.05 0.00 0.00 -0.65 -1.73 121.76 118.61 3kxf s ALA 24 Ca 0.11 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.22 3kxf s ALA 24 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3kxf s ALA 24 CO 0.01 -0.04 -0.14 -1.14 0.00 0.00 0.00 175.76 174.45 3kxf s GLN 25 N 0.40 1.64 0.00 0.00 -0.44 0.11 -0.52 119.66 120.85 3kxf s GLN 25 Ca -0.03 -0.50 0.08 0.00 -2.50 0.00 0.00 55.36 52.40 3kxf s GLN 25 Cb -0.05 -1.41 0.22 0.00 -1.64 0.00 0.00 33.01 30.14 3kxf s GLN 25 CO -0.01 0.16 1.17 -0.40 0.50 0.00 0.00 175.29 176.70 3kxf n ASP 26 N 3.36 2.64 -0.80 6.67 5.75 -1.22 -4.54 116.55 128.42 3kxf n ASP 26 Ca -0.19 -1.96 0.11 0.00 -0.01 0.00 0.00 54.79 52.74 3kxf n ASP 26 Cb 0.53 -0.17 0.30 0.00 -1.03 0.00 0.00 41.12 40.75 3kxf n ASP 26 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3kxf n MET 27 N 0.29 2.06 -1.26 0.11 2.81 -1.26 -4.92 117.12 114.95 3kxf n MET 27 Ca 0.09 -1.59 -0.09 0.00 -1.81 0.00 0.00 57.70 54.30 3kxf n MET 27 Cb 0.37 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.83 -4.50 -4.77 7.83 5.15 -1.26 -4.99 115.26 113.55 3kxf n ASN 28 Ca 0.17 0.22 -0.40 0.00 -0.60 0.00 0.00 54.58 53.98 3kxf n ASN 28 Cb 0.46 -2.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.91 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 -2.20 2.66 0.08 1.20 3.76 -1.26 -4.95 115.29 114.58 3kxf s HIS 29 Ca 0.00 1.34 -0.17 0.00 -0.15 0.00 0.00 55.06 56.08 3kxf s HIS 29 Cb 0.00 -3.79 -0.10 0.00 1.11 0.00 0.00 32.58 29.80 3kxf s HIS 29 CO 0.00 -2.47 1.41 -0.91 -0.85 0.00 0.00 174.74 171.92 3kxf h ASN 30 N 2.54 0.56 -2.95 1.40 2.35 -1.91 -3.47 115.58 114.10 3kxf h ASN 30 Ca -0.50 -0.45 -0.62 0.00 -0.55 0.00 0.00 56.30 54.18 3kxf h ASN 30 Cb 1.25 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.41 3kxf h ASN 30 CO 0.62 0.89 -0.25 -0.44 -1.65 0.00 0.00 177.43 176.60 3kxf s SER 31 N -6.29 6.74 -0.02 5.81 0.01 -1.25 -3.80 113.70 114.90 3kxf s SER 31 Ca -0.13 0.88 -0.00 0.00 1.31 0.00 0.00 55.95 58.00 3kxf s SER 31 Cb 0.07 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3kxf s SER 31 CO 0.79 0.33 0.04 -0.04 0.41 0.00 0.00 173.24 174.77 3kxf s MET 32 N -1.10 -0.02 0.10 12.44 -1.94 -0.79 -4.58 119.30 123.41 3kxf s MET 32 Ca 0.23 0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.45 3kxf s MET 32 Cb -0.16 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.46 3kxf s MET 32 CO 0.12 -0.13 -0.20 0.71 -0.01 0.00 0.00 175.02 175.51 3kxf s TYR 33 N 0.85 1.69 -0.12 -0.03 1.51 0.21 -0.20 117.35 121.26 3kxf s TYR 33 Ca -0.07 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 3kxf s TYR 33 Cb -0.10 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 3kxf s TYR 33 CO -0.03 0.18 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.86 3kxf s TRP 34 N -1.21 2.13 0.07 2.71 0.52 -0.28 -0.33 118.94 122.56 3kxf s TRP 34 Ca 0.05 -1.07 0.08 0.00 0.02 0.00 0.00 56.10 55.19 3kxf s TRP 34 Cb -0.10 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 3kxf s TRP 34 CO 0.04 -0.55 -0.21 0.71 0.02 0.00 0.00 176.95 176.96 3kxf s TYR 35 N 1.08 1.84 0.07 -1.98 1.51 0.47 0.03 117.35 120.37 3kxf s TYR 35 Ca -0.04 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 3kxf s TYR 35 Cb -0.14 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 3kxf s TYR 35 CO -0.04 0.15 0.11 -0.98 -1.11 0.00 0.00 175.55 173.69 3kxf s ARG 36 N -1.54 3.03 -0.13 -0.62 1.70 -0.65 -0.37 118.95 120.37 3kxf s ARG 36 Ca 0.07 -0.62 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 3kxf s ARG 36 Cb -0.09 -2.81 -0.01 0.00 -0.57 0.00 0.00 34.95 31.47 3kxf s ARG 36 CO 0.03 0.58 -0.17 -1.14 -1.08 0.00 0.00 175.30 173.52 3kxf s GLN 37 N -2.41 3.24 -0.01 3.89 0.74 0.29 -2.24 119.66 123.16 3kxf s GLN 37 Ca 0.31 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.97 3kxf s GLN 37 Cb -0.12 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.46 3kxf s GLN 37 CO 0.23 0.15 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.56 3kxf s ASP 38 N 0.48 0.69 -0.19 6.67 1.01 -1.25 -2.33 116.67 121.76 3kxf s ASP 38 Ca -0.12 -0.10 -0.30 0.00 0.71 0.00 0.00 52.55 52.75 3kxf s ASP 38 Cb -0.16 -0.14 -0.14 0.00 1.01 0.00 0.00 42.92 43.49 3kxf s ASP 38 CO 0.05 0.04 0.92 -2.65 0.21 0.00 0.00 175.17 173.74 3kxf n PRO 39 N 3.20 0.00 -2.68 8.23 -0.01 -1.26 -1.22 135.00 141.27 3kxf n PRO 39 Ca -0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 63.50 63.14 3kxf n PRO 39 Cb 0.56 -1.01 0.00 0.00 -0.01 0.00 0.00 33.50 33.04 3kxf n PRO 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3kxf n GLY 40 N 1.96 -0.50 0.00 -1.23 0.00 -1.26 -4.80 105.19 99.36 3kxf n GLY 40 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3kxf n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kxf n MET 41 N -3.27 3.74 0.00 1.61 2.81 -0.35 -5.14 117.12 116.52 3kxf n MET 41 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 3kxf n MET 41 Cb 0.63 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 3kxf n MET 41 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kxf n GLY 42 N 0.85 -0.78 3.49 3.03 0.00 -1.24 -4.58 105.19 105.95 3kxf n GLY 42 Ca 0.00 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 4.87 -0.13 0.99 1.43 -1.26 -3.80 118.68 120.78 3kxf s LEU 43 Ca 0.00 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 3kxf s LEU 43 Cb 0.00 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3kxf s LEU 43 CO 0.00 -0.46 0.31 -0.13 0.23 0.00 0.00 176.35 176.30 3kxf s ARG 44 N 1.90 4.14 0.57 1.70 0.52 -0.95 -4.94 118.95 121.90 3kxf s ARG 44 Ca 0.09 0.15 -0.19 0.00 -0.52 0.00 0.00 55.73 55.25 3kxf s ARG 44 Cb -0.18 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 3kxf s ARG 44 CO 0.12 0.35 1.17 -1.17 0.02 0.00 0.00 175.30 175.78 3kxf s LEU 45 N 0.12 3.69 0.04 2.53 2.96 -1.26 -1.64 118.68 125.12 3kxf s LEU 45 Ca 0.18 2.28 -0.02 0.00 -0.22 0.00 0.00 54.13 56.36 3kxf s LEU 45 Cb -0.14 -4.59 -0.01 0.00 0.50 0.00 0.00 46.19 41.96 3kxf s LEU 45 CO 0.06 -1.43 -0.03 -0.38 -1.32 0.00 0.00 176.35 173.24 3kxf n ILE 46 N -1.50 0.83 -3.83 6.68 2.08 0.10 -2.67 119.36 121.06 3kxf n ILE 46 Ca 0.13 0.27 -0.09 0.00 0.56 0.00 0.00 62.75 63.61 3kxf n ILE 46 Cb 0.50 -1.49 -0.07 0.00 -0.75 0.00 0.00 39.64 37.84 3kxf n ILE 46 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3kxf s TYR 47 N -1.74 0.13 0.32 1.39 1.51 -1.24 -1.39 117.35 116.32 3kxf s TYR 47 Ca -0.03 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 3kxf s TYR 47 Cb 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.84 3kxf s TYR 47 CO 0.04 -0.61 0.33 1.52 -1.11 0.00 0.00 175.55 175.73 3kxf s TYR 48 N -3.87 1.45 -0.07 2.71 -0.85 -1.08 -1.13 117.35 114.51 3kxf s TYR 48 Ca 0.07 -1.50 -0.03 0.00 -0.52 0.00 0.00 57.07 55.09 3kxf s TYR 48 Cb 0.04 -0.47 0.04 0.00 0.38 0.00 0.00 41.96 41.94 3kxf s TYR 48 CO -0.09 -0.94 0.07 0.45 -1.52 0.00 0.00 175.55 173.51 3kxf s SER 49 N -3.30 1.40 0.17 -0.18 0.15 0.72 -2.43 113.70 110.23 3kxf s SER 49 Ca 0.37 -0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 3kxf s SER 49 Cb 0.02 -0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.23 3kxf s SER 49 CO 0.23 -0.27 1.68 0.00 1.20 0.00 0.00 173.24 176.08 3kxf h ALA 50 N 8.43 0.77 -2.99 5.45 0.00 -1.82 -2.09 119.26 127.00 3kxf h ALA 50 Ca -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3kxf h ALA 50 Cb 1.13 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kxf h ALA 50 CO 0.18 0.48 0.23 -1.54 0.00 0.00 0.00 179.25 178.60 3kxf s SER 51 N -6.27 0.12 0.02 0.00 1.04 -1.25 -3.79 113.70 103.57 3kxf s SER 51 Ca -0.13 -1.22 -0.37 0.00 0.48 0.00 0.00 55.95 54.71 3kxf s SER 51 Cb 0.13 0.84 -0.16 0.00 0.10 0.00 0.00 66.02 66.93 3kxf s SER 51 CO 0.82 -1.68 1.46 1.21 0.98 0.00 0.00 173.24 176.03 3kxf n GLU 52 N -0.54 1.28 -2.91 4.02 2.13 -1.26 -2.12 120.64 121.24 3kxf n GLU 52 Ca -0.08 0.46 -0.19 0.00 0.66 0.00 0.00 57.16 58.01 3kxf n GLU 52 Cb 0.60 -2.14 0.03 0.00 0.27 0.00 0.00 31.44 30.21 3kxf n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kxf n GLY 53 N 2.99 -0.36 2.86 8.31 0.00 -1.13 -5.02 105.19 112.85 3kxf n GLY 53 Ca 0.20 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.10 0.06 0.04 2.61 2.01 -0.90 -5.04 115.64 111.33 3kxf s THR 54 Ca 0.26 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 3kxf s THR 54 Cb -0.11 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 3kxf s THR 54 CO 0.32 0.04 0.00 0.42 -0.69 0.00 0.00 174.62 174.72 3kxf s THR 55 N 0.25 0.17 -0.15 -0.82 -4.23 -1.26 -4.24 115.64 105.35 3kxf s THR 55 Ca -0.02 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 3kxf s THR 55 Cb -0.04 -1.02 0.04 0.00 1.34 0.00 0.00 72.50 72.83 3kxf s THR 55 CO -0.01 -0.76 0.39 -1.81 -0.54 0.00 0.00 174.62 171.89 3kxf s ASP 56 N -2.33 -0.43 1.01 3.99 1.01 -1.02 -4.98 116.67 113.92 3kxf s ASP 56 Ca -0.02 0.80 -0.16 0.00 0.71 0.00 0.00 52.55 53.88 3kxf s ASP 56 Cb 0.01 0.76 0.02 0.00 1.01 0.00 0.00 42.92 44.72 3kxf s ASP 56 CO -0.06 -0.15 0.05 0.29 0.21 0.00 0.00 175.17 175.50 3kxf n LYS 57 N 3.40 -0.61 0.00 8.23 4.76 -1.26 -2.65 118.16 130.03 3kxf n LYS 57 Ca -0.17 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 3kxf n LYS 57 Cb 0.56 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3kxf n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kxf n GLY 58 N 1.98 1.87 0.03 0.72 0.00 -0.48 -4.70 105.19 104.60 3kxf n GLY 58 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 3kxf n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kxf n GLU 59 N 0.00 1.79 -3.24 1.61 2.13 -1.13 -4.83 120.64 116.97 3kxf n GLU 59 Ca 0.00 0.01 -0.25 0.00 0.66 0.00 0.00 57.16 57.59 3kxf n GLU 59 Cb 0.00 -1.12 -0.06 0.00 0.27 0.00 0.00 31.44 30.53 3kxf n GLU 59 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3kxf n VAL 60 N -2.41 1.18 1.45 6.31 0.24 -1.09 -4.93 118.33 119.09 3kxf n VAL 60 Ca -0.09 -4.82 0.14 0.00 -2.04 0.00 0.00 64.34 57.54 3kxf n VAL 60 Cb 0.63 -1.69 0.64 0.00 -1.47 0.00 0.00 33.84 31.95 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 0.76 0.73 -2.28 7.34 -0.05 -1.26 -4.72 135.00 135.52 3kxf n PRO 61 Ca 0.27 -0.23 -0.42 0.00 -0.05 0.00 0.00 63.50 63.07 3kxf n PRO 61 Cb 0.48 -1.50 -0.03 0.00 -0.05 0.00 0.00 33.50 32.40 3kxf n PRO 61 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3kxf s ASN 62 N -2.43 6.93 0.00 3.54 0.01 -1.26 -2.55 114.94 119.18 3kxf s ASN 62 Ca 0.30 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.61 3kxf s ASN 62 Cb 0.20 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3kxf s ASN 62 CO 0.46 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 3kxf n GLY 63 N 3.41 2.97 3.65 0.66 0.00 -1.26 -5.00 105.19 109.61 3kxf n GLY 63 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.76 3.11 0.08 1.61 1.51 -1.06 -4.24 117.35 115.60 3kxf s TYR 64 Ca 0.00 0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.25 3kxf s TYR 64 Cb 0.00 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 3kxf s TYR 64 CO 0.00 0.40 -0.17 -0.80 -1.11 0.00 0.00 175.55 173.87 3kxf s ASN 65 N -0.76 2.07 0.13 2.29 0.02 0.16 -4.93 114.94 113.93 3kxf s ASN 65 Ca 0.12 -0.65 0.05 0.00 -1.02 0.00 0.00 52.86 51.36 3kxf s ASN 65 Cb -0.11 -0.09 -0.04 0.00 0.02 0.00 0.00 41.25 41.02 3kxf s ASN 65 CO 0.02 -0.01 -0.11 0.68 0.02 0.00 0.00 177.10 177.69 3kxf s VAL 66 N -1.22 1.20 -0.32 1.60 -7.23 -1.26 0.10 120.40 113.29 3kxf s VAL 66 Ca 0.02 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3kxf s VAL 66 Cb -0.10 -1.67 0.11 0.00 0.56 0.00 0.00 36.38 35.29 3kxf s VAL 66 CO 0.03 -0.60 0.16 -0.55 -0.31 0.00 0.00 175.10 173.82 3kxf s SER 67 N -2.82 3.41 -0.92 4.85 0.15 -0.85 -4.99 113.70 112.54 3kxf s SER 67 Ca 0.12 -1.64 -0.24 0.00 0.70 0.00 0.00 55.95 54.89 3kxf s SER 67 Cb -0.01 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 3kxf s SER 67 CO 0.02 -0.39 1.73 -0.60 1.20 0.00 0.00 173.24 175.19 3kxf s ARG 68 N 1.69 2.97 0.00 5.44 6.06 -1.26 -2.66 118.95 131.18 3kxf s ARG 68 Ca 0.12 -0.53 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 3kxf s ARG 68 Cb -0.19 -5.08 0.00 0.00 0.06 0.00 0.00 34.95 29.74 3kxf s ARG 68 CO -0.23 -2.85 0.96 1.28 -2.50 0.00 0.00 175.30 171.96 3kxf n LEU 69 N 11.81 0.00 0.00 -0.88 4.77 -0.86 -2.83 117.00 129.01 3kxf n LEU 69 Ca 0.34 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 3kxf n LEU 69 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3kxf n LEU 69 CO 0.63 -0.46 0.00 -0.46 -1.33 0.00 0.00 177.39 175.78 3kxf n ASN 70 N -1.90 1.07 0.26 -1.43 0.23 -1.24 -4.58 115.26 107.67 3kxf n ASN 70 Ca 0.00 -0.48 0.17 0.00 -0.53 0.00 0.00 54.58 53.74 3kxf n ASN 70 Cb 0.00 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.36 3kxf n ASN 70 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3kxf h LYS 71 N 0.00 0.00 0.12 -3.83 3.64 -1.95 -3.27 116.57 111.28 3kxf h LYS 71 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 3kxf h LYS 71 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3kxf h LYS 71 CO 0.00 0.00 -1.89 0.00 -2.27 0.00 0.00 179.45 175.29 3kxf h ARG 72 N 0.00 0.26 -5.19 1.90 3.08 -1.91 -3.45 114.38 109.06 3kxf h ARG 72 Ca 0.00 -0.44 -0.67 0.00 0.07 0.00 0.00 59.98 58.94 3kxf h ARG 72 Cb 0.50 0.16 -0.32 0.00 0.08 0.00 0.00 29.97 30.39 3kxf h ARG 72 CO 0.00 1.14 -0.84 -1.21 -1.07 0.00 0.00 179.97 177.99 3kxf s GLU 73 N -2.57 3.12 0.20 0.04 2.02 -1.23 -0.71 118.70 119.56 3kxf s GLU 73 Ca -0.18 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.07 3kxf s GLU 73 Cb 0.07 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 3kxf s GLU 73 CO 0.80 -0.00 0.13 0.12 0.02 0.00 0.00 175.26 176.33 3kxf s PHE 74 N 0.82 3.07 -0.04 1.61 5.36 -0.71 -2.03 117.98 126.06 3kxf s PHE 74 Ca -0.06 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 55.82 3kxf s PHE 74 Cb -0.15 -1.44 0.03 0.00 -0.34 0.00 0.00 43.02 41.12 3kxf s PHE 74 CO -0.01 0.53 0.07 -1.12 -1.46 0.00 0.00 175.22 173.22 3kxf s SER 75 N -3.35 0.59 -0.32 6.13 0.01 -1.09 -1.47 113.70 114.20 3kxf s SER 75 Ca 0.31 0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.59 3kxf s SER 75 Cb -0.09 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 3kxf s SER 75 CO 0.23 -0.20 0.16 -0.22 0.41 0.00 0.00 173.24 173.63 3kxf s LEU 76 N 1.69 4.20 -0.16 2.44 2.96 -0.75 -2.00 118.68 127.07 3kxf s LEU 76 Ca -0.02 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3kxf s LEU 76 Cb -0.12 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3kxf s LEU 76 CO -0.04 -0.22 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.05 3kxf s ARG 77 N 1.61 3.31 -0.42 1.98 3.52 0.29 -1.48 118.95 127.74 3kxf s ARG 77 Ca 0.04 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.86 3kxf s ARG 77 Cb -0.17 -2.70 0.09 0.00 -1.56 0.00 0.00 34.95 30.61 3kxf s ARG 77 CO 0.06 0.04 0.26 -0.51 -0.81 0.00 0.00 175.30 174.35 3kxf s LEU 78 N 0.78 5.23 0.13 -0.88 1.02 -0.86 -0.66 118.68 123.44 3kxf s LEU 78 Ca -0.05 -1.63 -0.10 0.00 0.02 0.00 0.00 54.13 52.37 3kxf s LEU 78 Cb -0.15 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 44.03 3kxf s LEU 78 CO 0.01 -0.56 1.41 1.05 0.02 0.00 0.00 176.35 178.28 3kxf h GLU 79 N 8.37 0.82 -3.77 1.70 9.09 -1.83 -2.88 114.58 126.08 3kxf h GLU 79 Ca -0.21 -0.54 -0.55 0.00 0.05 0.00 0.00 59.36 58.11 3kxf h GLU 79 Cb 1.08 0.07 -0.39 0.00 -1.65 0.00 0.00 28.75 27.85 3kxf h GLU 79 CO 0.77 1.16 -0.77 0.45 0.05 0.00 0.00 179.01 180.67 3kxf s SER 80 N -6.96 3.31 0.63 3.06 0.15 -1.25 -3.70 113.70 108.92 3kxf s SER 80 Ca -0.10 -1.02 -0.18 0.00 0.70 0.00 0.00 55.95 55.35 3kxf s SER 80 Cb 0.10 -0.79 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 3kxf s SER 80 CO 0.89 -0.30 1.28 0.00 1.20 0.00 0.00 173.24 176.30 3kxf s ALA 81 N 1.70 2.45 -0.11 5.45 0.00 -0.13 -4.72 121.76 126.40 3kxf s ALA 81 Ca -0.01 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 3kxf s ALA 81 Cb -0.18 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.45 3kxf s ALA 81 CO -0.09 -1.47 0.33 0.00 0.00 0.00 0.00 175.76 174.52 3kxf s ALA 82 N -1.44 -0.81 0.46 0.00 0.00 -1.26 -1.92 121.76 116.78 3kxf s ALA 82 Ca 0.81 0.83 0.18 0.00 0.00 0.00 0.00 51.96 53.77 3kxf s ALA 82 Cb -0.36 -0.44 1.14 0.00 0.00 0.00 0.00 23.12 23.46 3kxf s ALA 82 CO 0.38 -0.18 1.96 -1.35 0.00 0.00 0.00 175.76 176.58 3kxf h PRO 83 N 5.31 0.29 0.00 0.00 0.11 -1.93 0.20 132.00 135.98 3kxf h PRO 83 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kxf h PRO 83 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kxf h PRO 83 CO 0.31 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 3kxf n SER 84 N -4.45 0.00 -0.89 -2.05 3.41 -1.26 -1.19 113.62 107.19 3kxf n SER 84 Ca 0.11 -0.54 0.07 0.00 -0.26 0.00 0.00 58.87 58.26 3kxf n SER 84 Cb 0.50 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.66 3kxf n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kxf n GLN 85 N -0.84 2.93 -2.21 4.33 6.02 0.71 -4.93 117.38 123.40 3kxf n GLN 85 Ca 0.07 -2.33 -0.43 0.00 -0.01 0.00 0.00 57.00 54.30 3kxf n GLN 85 Cb 0.03 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 3kxf n GLN 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kxf s THR 86 N -1.26 3.91 -0.06 5.09 2.01 -0.34 -4.82 115.64 120.17 3kxf s THR 86 Ca 0.33 1.09 -0.32 0.00 0.31 0.00 0.00 61.69 63.10 3kxf s THR 86 Cb 0.19 -3.75 0.13 0.00 0.01 0.00 0.00 72.50 69.08 3kxf s THR 86 CO 0.19 -0.15 1.37 -0.55 -0.69 0.00 0.00 174.62 174.80 3kxf s SER 87 N 2.90 -0.02 -0.17 3.53 0.15 -0.91 -5.00 113.70 114.17 3kxf s SER 87 Ca 0.65 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 57.15 3kxf s SER 87 Cb -0.26 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 3kxf s SER 87 CO 0.23 -0.14 0.11 -0.69 1.20 0.00 0.00 173.24 173.95 3kxf s VAL 88 N -2.18 5.26 -0.23 4.45 1.01 -0.98 -2.17 120.40 125.55 3kxf s VAL 88 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 3kxf s VAL 88 Cb 0.06 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3kxf s VAL 88 CO -0.05 0.49 -0.02 -0.31 0.00 0.00 0.00 175.10 175.21 3kxf s TYR 89 N -0.02 3.00 -0.06 5.22 1.51 -0.81 0.11 117.35 126.29 3kxf s TYR 89 Ca 0.09 -0.95 -0.03 0.00 -1.01 0.00 0.00 57.07 55.17 3kxf s TYR 89 Cb -0.12 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 3kxf s TYR 89 CO 0.00 -0.55 0.08 -0.06 -1.11 0.00 0.00 175.55 173.91 3kxf s PHE 90 N 1.48 3.35 -0.11 2.71 0.08 0.50 -1.42 117.98 124.56 3kxf s PHE 90 Ca 0.05 0.30 -0.03 0.00 0.12 0.00 0.00 56.93 57.37 3kxf s PHE 90 Cb -0.15 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3kxf s PHE 90 CO -0.02 0.58 -0.00 0.00 -0.10 0.00 0.00 175.22 175.68 3kxf s ALA 92 N -0.44 1.47 -0.45 0.00 0.00 0.56 -1.58 121.76 121.32 3kxf s ALA 92 Ca 0.08 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.27 3kxf s ALA 92 Cb -0.12 -0.33 0.20 0.00 0.00 0.00 0.00 23.12 22.87 3kxf s ALA 92 CO 0.02 0.34 0.55 0.45 0.00 0.00 0.00 175.76 177.13 3kxf n SER 93 N 2.35 -1.52 -4.77 0.00 2.88 -0.40 0.65 113.62 112.80 3kxf n SER 93 Ca -0.16 -2.71 -0.37 0.00 -1.33 0.00 0.00 58.87 54.31 3kxf n SER 93 Cb 0.54 0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 64.37 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 0.14 3.99 0.00 -1.46 0.04 -1.26 -4.72 135.00 131.74 3kxf s PRO 94 Ca 0.32 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3kxf s PRO 94 Cb 0.08 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3kxf s PRO 94 CO -0.15 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3kxf n GLY 95 N 0.45 5.26 0.01 0.56 0.00 -1.26 -4.91 105.19 105.30 3kxf n GLY 95 Ca 0.06 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.62 3kxf n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxf n LEU 96 N 0.00 0.28 -3.29 0.99 4.77 -1.26 -4.77 117.00 113.72 3kxf n LEU 96 Ca 0.00 -0.53 -0.33 0.00 -0.03 0.00 0.00 56.01 55.12 3kxf n LEU 96 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3kxf n LEU 96 CO 0.00 0.07 0.66 0.00 -1.33 0.00 0.00 177.39 176.79 3kxf n ALA 97 N -1.03 5.17 0.21 -1.18 0.00 -1.26 -4.86 120.51 117.56 3kxf n ALA 97 Ca 0.01 -4.69 0.05 0.00 0.00 0.00 0.00 53.44 48.82 3kxf n ALA 97 Cb 0.07 -1.36 0.46 0.00 0.00 0.00 0.00 19.45 18.63 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 3.66 0.00 1.73 0.00 0.00 -1.86 -2.88 103.07 103.73 3kxf h GLY 98 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3kxf h GLY 98 CO 0.98 0.00 0.12 0.83 0.00 0.00 0.00 176.54 178.47 3kxf h GLU 99 N 0.00 0.00 0.00 4.80 3.07 -2.01 -3.14 114.58 117.29 3kxf h GLU 99 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kxf h GLU 99 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3kxf h GLU 99 CO 0.04 0.00 -0.30 2.48 -1.40 0.00 0.00 179.01 179.82 3kxf n TYR 100 N -3.47 0.00 -3.98 4.33 4.11 -1.17 -5.05 117.16 111.93 3kxf n TYR 100 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.71 3kxf n TYR 100 Cb 0.20 -0.03 -0.16 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 0.00 0.40 -0.20 -3.48 2.02 -1.09 -5.00 118.70 111.36 3kxf s GLU 101 Ca 0.00 0.04 -0.26 0.00 0.02 0.00 0.00 54.97 54.77 3kxf s GLU 101 Cb 0.00 -0.54 -0.01 0.00 0.10 0.00 0.00 34.13 33.68 3kxf s GLU 101 CO 0.00 -0.12 0.88 -1.14 0.02 0.00 0.00 175.26 174.90 3kxf s GLN 102 N 0.97 4.27 0.00 1.61 2.00 -1.26 -4.56 119.66 122.68 3kxf s GLN 102 Ca -0.10 1.08 0.22 0.00 -2.00 0.00 0.00 55.36 54.56 3kxf s GLN 102 Cb -0.14 -3.60 0.31 0.00 0.80 0.00 0.00 33.01 30.38 3kxf s GLN 102 CO -0.01 -0.43 1.31 0.66 -0.50 0.00 0.00 175.29 176.31 3kxf n TYR 103 N 5.63 0.28 -4.66 1.67 0.53 -1.26 -3.31 117.16 116.05 3kxf n TYR 103 Ca 0.06 -0.15 -0.23 0.00 -1.02 0.00 0.00 57.90 56.56 3kxf n TYR 103 Cb 0.48 -0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.63 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 -1.63 1.36 0.85 -0.72 0.40 -1.26 -1.28 117.98 115.70 3kxf s PHE 104 Ca 0.33 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 3kxf s PHE 104 Cb 0.21 -0.92 0.10 0.00 0.51 0.00 0.00 43.02 42.92 3kxf s PHE 104 CO 0.30 -0.10 1.10 0.20 0.70 0.00 0.00 175.22 177.42 3kxf s GLY 105 N -0.03 1.66 0.59 4.36 0.00 -0.61 -4.68 107.32 108.61 3kxf s GLY 105 Ca -0.01 0.28 0.37 0.00 0.00 0.00 0.00 44.72 45.36 3kxf s GLY 105 CO 0.01 0.68 2.13 -2.55 0.00 0.00 0.00 173.10 173.37 3kxf h PRO 106 N -1.45 0.00 0.00 2.90 0.11 -1.89 -3.43 132.00 128.23 3kxf h PRO 106 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kxf h PRO 106 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kxf h PRO 106 CO 0.49 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 3kxf n GLY 107 N -1.15 -1.25 3.17 -0.55 0.00 -1.26 -5.01 105.19 99.13 3kxf n GLY 107 Ca -0.02 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 3kxf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kxf s THR 108 N -2.50 2.50 -0.04 2.61 -4.23 -0.51 -4.81 115.64 108.67 3kxf s THR 108 Ca 0.00 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.28 3kxf s THR 108 Cb 0.00 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 3kxf s THR 108 CO 0.00 0.39 1.12 -0.13 -0.54 0.00 0.00 174.62 175.46 3kxf s ARG 109 N 1.32 4.41 -0.05 3.99 1.81 0.75 -1.93 118.95 129.25 3kxf s ARG 109 Ca 0.03 1.59 0.00 0.00 -1.72 0.00 0.00 55.73 55.63 3kxf s ARG 109 Cb -0.15 -3.50 0.02 0.00 -0.45 0.00 0.00 34.95 30.87 3kxf s ARG 109 CO -0.09 -0.33 -0.03 -1.17 -0.68 0.00 0.00 175.30 173.01 3kxf s LEU 110 N 1.80 1.07 -0.12 2.53 2.96 -0.92 -0.32 118.68 125.68 3kxf s LEU 110 Ca 0.54 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3kxf s LEU 110 Cb -0.23 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 3kxf s LEU 110 CO 0.23 -0.11 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.07 3kxf s THR 111 N 1.30 2.49 -0.32 3.68 2.01 -0.83 -2.15 115.64 121.82 3kxf s THR 111 Ca -0.05 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 3kxf s THR 111 Cb -0.13 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.41 3kxf s THR 111 CO -0.02 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 173.83 3kxf s VAL 112 N 0.38 3.62 0.35 3.82 1.01 -1.26 -1.91 120.40 126.40 3kxf s VAL 112 Ca -0.15 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 60.82 3kxf s VAL 112 Cb -0.17 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3kxf s VAL 112 CO 0.07 -0.09 0.33 0.28 0.00 0.00 0.00 175.10 175.68 3kxf s THR 113 N 1.39 3.46 -0.04 3.92 -1.32 -0.23 -4.40 115.64 118.42 3kxf s THR 113 Ca -0.01 -1.32 -0.23 0.00 -1.21 0.00 0.00 61.69 58.91 3kxf s THR 113 Cb -0.19 -3.18 -0.24 0.00 -1.51 0.00 0.00 72.50 67.39 3kxf s THR 113 CO 0.02 -0.15 1.04 -0.08 -2.21 0.00 0.00 174.62 173.24 3kxf h GLU 114 N 1.17 0.23 -4.75 7.08 4.57 -1.97 -2.12 114.58 118.79 3kxf h GLU 114 Ca -0.44 -0.25 -0.35 0.00 -1.18 0.00 0.00 59.36 57.14 3kxf h GLU 114 Cb 1.26 0.07 -0.25 0.00 -0.16 0.00 0.00 28.75 29.67 3kxf h GLU 114 CO 0.57 0.97 -0.76 0.34 -1.18 0.00 0.00 179.01 178.96 3kxf s ASP 115 N -6.44 1.06 0.00 1.04 -1.08 -1.26 -4.48 116.67 105.52 3kxf s ASP 115 Ca -0.15 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 51.77 3kxf s ASP 115 Cb 0.01 -0.05 1.43 0.00 -1.46 0.00 0.00 42.92 42.86 3kxf s ASP 115 CO 0.76 -0.04 1.94 0.18 0.52 0.00 0.00 175.17 178.54 3kxf n LEU 116 N 2.08 0.00 0.00 -1.34 4.77 -1.26 -2.33 117.00 118.93 3kxf n LEU 116 Ca -0.18 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3kxf n LEU 116 Cb 0.56 -0.22 0.55 0.00 -2.33 0.00 0.00 43.42 41.97 3kxf n LEU 116 CO 0.23 -0.03 0.81 2.29 -1.33 0.00 0.00 177.39 179.36 3kxf n LYS 117 N -1.22 0.44 0.12 3.23 -0.00 -1.26 -2.32 118.16 117.14 3kxf n LYS 117 Ca 0.15 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.63 3kxf n LYS 117 Cb 0.19 -1.50 0.15 0.00 -0.00 0.00 0.00 35.03 33.86 3kxf n LYS 117 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3kxf h ASN 118 N 0.00 0.00 -2.97 -5.58 -0.26 -1.87 -3.45 115.58 101.45 3kxf h ASN 118 Ca 0.00 -0.07 -0.57 0.00 -0.56 0.00 0.00 56.30 55.10 3kxf h ASN 118 Cb 0.11 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 3kxf h ASN 118 CO 0.00 0.04 0.96 -0.69 -1.06 0.00 0.00 177.43 176.68 3kxf s VAL 119 N -3.23 4.13 -0.04 2.81 1.01 -0.98 -4.57 120.40 119.53 3kxf s VAL 119 Ca 0.05 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.38 3kxf s VAL 119 Cb 0.10 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3kxf s VAL 119 CO 0.72 -0.28 -0.09 -0.36 0.00 0.00 0.00 175.10 175.09 3kxf s PHE 120 N 4.03 1.06 0.79 5.22 0.08 -0.14 -4.77 117.98 124.25 3kxf s PHE 120 Ca 0.58 -0.31 -0.11 0.00 0.12 0.00 0.00 56.93 57.21 3kxf s PHE 120 Cb -0.21 -0.78 0.07 0.00 -0.57 0.00 0.00 43.02 41.53 3kxf s PHE 120 CO 0.20 -0.16 1.09 -1.25 -0.10 0.00 0.00 175.22 175.00 3kxf s PRO 121 N 0.44 2.10 0.26 0.24 0.04 -1.26 -1.34 135.00 135.47 3kxf s PRO 121 Ca -0.08 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 3kxf s PRO 121 Cb -0.12 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3kxf s PRO 121 CO 0.01 -1.70 0.95 -1.25 0.04 0.00 0.00 177.00 175.05 3kxf s PRO 122 N -4.97 4.78 0.07 0.56 0.04 -1.26 -4.27 135.00 129.95 3kxf s PRO 122 Ca 0.61 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 3kxf s PRO 122 Cb -0.16 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 3kxf s PRO 122 CO 0.56 0.45 0.85 -1.21 0.04 0.00 0.00 177.00 177.69 3kxf s GLU 123 N -1.41 4.58 -0.06 4.56 2.02 -0.67 -4.84 118.70 122.89 3kxf s GLU 123 Ca 0.43 1.24 0.05 0.00 0.02 0.00 0.00 54.97 56.71 3kxf s GLU 123 Cb -0.24 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 3kxf s GLU 123 CO 0.30 0.24 -0.21 0.08 0.02 0.00 0.00 175.26 175.69 3kxf s VAL 124 N -0.00 2.40 -0.05 2.63 1.01 -1.26 -1.01 120.40 124.12 3kxf s VAL 124 Ca 0.42 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kxf s VAL 124 Cb -0.22 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.29 3kxf s VAL 124 CO 0.26 0.57 0.11 0.00 0.00 0.00 0.00 175.10 176.04 3kxf s ALA 125 N -0.25 -0.13 -0.20 5.51 0.00 -0.36 -4.62 121.76 121.70 3kxf s ALA 125 Ca -0.00 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.42 3kxf s ALA 125 Cb -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3kxf s ALA 125 CO 0.03 -0.18 0.07 0.08 0.00 0.00 0.00 175.76 175.76 3kxf s VAL 126 N 1.25 4.73 -0.14 0.00 1.01 -1.26 -0.79 120.40 125.20 3kxf s VAL 126 Ca -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3kxf s VAL 126 Cb -0.12 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3kxf s VAL 126 CO -0.05 0.42 0.02 -0.36 0.00 0.00 0.00 175.10 175.13 3kxf s PHE 127 N 0.73 3.17 0.41 5.22 0.40 -0.20 -4.97 117.98 122.74 3kxf s PHE 127 Ca 0.04 0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 3kxf s PHE 127 Cb -0.13 -1.94 -0.07 0.00 0.51 0.00 0.00 43.02 41.39 3kxf s PHE 127 CO 0.02 0.23 0.79 -1.21 0.70 0.00 0.00 175.22 175.75 3kxf s GLU 128 N -0.12 3.80 0.48 0.44 2.02 -1.26 -2.08 118.70 121.97 3kxf s GLU 128 Ca 0.05 0.52 -0.23 0.00 0.02 0.00 0.00 54.97 55.32 3kxf s GLU 128 Cb -0.12 -2.37 -0.08 0.00 0.10 0.00 0.00 34.13 31.65 3kxf s GLU 128 CO 0.02 -0.05 1.13 -2.30 0.02 0.00 0.00 175.26 174.07 3kxf n PRO 129 N -1.30 1.48 -2.51 0.39 -0.02 -1.23 -4.93 135.00 126.89 3kxf n PRO 129 Ca 0.03 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 3kxf n PRO 129 Cb 0.54 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3kxf n PRO 129 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kxf s SER 130 N -0.81 7.10 0.31 2.55 1.04 -1.26 -4.94 113.70 117.69 3kxf s SER 130 Ca 0.66 2.18 -0.01 0.00 0.48 0.00 0.00 55.95 59.26 3kxf s SER 130 Cb -0.49 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.49 3kxf s SER 130 CO 0.54 -0.25 1.96 -0.08 0.98 0.00 0.00 173.24 176.39 3kxf h GLU 131 N 3.38 1.01 -0.44 4.02 4.81 -1.99 -2.76 114.58 122.60 3kxf h GLU 131 Ca -0.47 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3kxf h GLU 131 Cb 1.21 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 3kxf h GLU 131 CO 0.65 0.69 0.23 0.00 -0.73 0.00 0.00 179.01 179.85 3kxf h ALA 132 N 1.49 0.56 -0.00 2.92 0.00 -2.00 -2.85 119.26 119.37 3kxf h ALA 132 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kxf h ALA 132 Cb -0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kxf h ALA 132 CO -0.05 -0.12 0.00 1.49 0.00 0.00 0.00 179.25 180.57 3kxf h GLU 133 N 0.46 0.00 -0.76 0.00 4.81 -1.85 -2.61 114.58 114.63 3kxf h GLU 133 Ca 0.19 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.57 3kxf h GLU 133 Cb 0.08 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.36 3kxf h GLU 133 CO -0.12 0.04 0.27 0.82 -0.73 0.00 0.00 179.01 179.28 3kxf h ILE 134 N -0.04 0.59 -0.00 2.32 2.04 -1.27 0.14 117.51 121.28 3kxf h ILE 134 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kxf h ILE 134 Cb 0.04 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3kxf h ILE 134 CO -0.00 0.07 -0.42 -1.54 0.00 0.00 0.00 178.15 176.26 3kxf n SER 135 N -5.06 0.75 -0.11 1.72 3.41 -1.13 -2.07 113.62 111.12 3kxf n SER 135 Ca 0.15 -0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 57.96 3kxf n SER 135 Cb 0.46 0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.14 0.67 0.20 7.33 -0.00 -0.53 -4.73 115.22 117.02 3kxf n HIS 136 Ca 0.08 0.29 0.02 0.00 -0.00 0.00 0.00 57.72 58.11 3kxf n HIS 136 Cb 0.34 -1.07 -0.01 0.00 -0.00 0.00 0.00 29.99 29.26 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 -4.34 0.00 -1.65 3.57 -2.24 0.36 -5.01 114.28 104.97 3kxf n THR 137 Ca -0.40 -0.44 -0.16 0.00 -2.27 0.00 0.00 64.05 60.78 3kxf n THR 137 Cb 0.76 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.61 -1.14 -4.42 -0.78 1.13 -0.88 -5.01 117.38 105.68 3kxf n GLN 138 Ca 0.02 0.99 -0.21 0.00 -1.94 0.00 0.00 57.00 55.86 3kxf n GLN 138 Cb 0.08 -5.22 -0.10 0.00 0.11 0.00 0.00 30.24 25.12 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 -3.68 1.52 -0.11 -1.09 -0.14 -1.26 -1.65 119.74 113.33 3kxf s LYS 139 Ca 0.00 -1.73 -0.00 0.00 -1.36 0.00 0.00 55.97 52.87 3kxf s LYS 139 Cb 0.00 -1.26 0.02 0.00 -1.68 0.00 0.00 37.83 34.91 3kxf s LYS 139 CO 0.00 0.13 -0.08 0.00 -0.76 0.00 0.00 175.35 174.64 3kxf s ALA 140 N -2.91 1.36 -0.26 5.17 0.00 0.12 -3.57 121.76 121.68 3kxf s ALA 140 Ca 0.28 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 3kxf s ALA 140 Cb 0.01 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3kxf s ALA 140 CO 0.11 -0.41 -0.00 0.99 0.00 0.00 0.00 175.76 176.45 3kxf s THR 141 N 1.68 3.41 0.24 0.00 2.01 -1.26 -1.39 115.64 120.34 3kxf s THR 141 Ca 0.05 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 3kxf s THR 141 Cb -0.13 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 3kxf s THR 141 CO -0.08 0.22 0.54 -0.76 -0.69 0.00 0.00 174.62 173.84 3kxf s LEU 142 N 1.43 4.14 -0.12 4.42 1.02 -0.44 -3.47 118.68 125.66 3kxf s LEU 142 Ca 0.03 0.84 0.01 0.00 0.02 0.00 0.00 54.13 55.03 3kxf s LEU 142 Cb -0.16 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.45 3kxf s LEU 142 CO -0.02 -0.10 -0.14 -0.69 0.02 0.00 0.00 176.35 175.42 3kxf s VAL 143 N -1.88 1.50 -0.18 -1.59 1.01 -0.88 -2.08 120.40 116.29 3kxf s VAL 143 Ca 0.46 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3kxf s VAL 143 Cb -0.11 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3kxf s VAL 143 CO 0.24 0.44 0.23 0.00 0.00 0.00 0.00 175.10 176.01 3kxf s LEU 145 N 0.43 1.87 -0.32 0.00 2.96 0.03 -0.92 118.68 122.73 3kxf s LEU 145 Ca 0.13 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3kxf s LEU 145 Cb -0.12 -1.20 0.08 0.00 0.50 0.00 0.00 46.19 45.45 3kxf s LEU 145 CO 0.01 0.06 0.02 0.00 -1.32 0.00 0.00 176.35 175.12 3kxf s ALA 146 N 0.80 2.82 0.24 5.97 0.00 0.88 -1.23 121.76 131.25 3kxf s ALA 146 Ca -0.10 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 49.77 3kxf s ALA 146 Cb -0.16 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 3kxf s ALA 146 CO 0.01 -1.49 0.04 0.95 0.00 0.00 0.00 175.76 175.27 3kxf s THR 147 N 1.05 3.75 -1.86 0.00 -4.23 -0.18 -0.34 115.64 113.83 3kxf s THR 147 Ca 0.02 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3kxf s THR 147 Cb -0.20 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3kxf s THR 147 CO -0.05 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3kxf n GLY 148 N -0.74 0.93 3.81 3.99 0.00 0.36 -1.66 105.19 111.89 3kxf n GLY 148 Ca -0.08 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.81 3.64 -0.06 1.61 -0.71 -1.05 -4.62 117.98 113.97 3kxf s PHE 149 Ca 0.00 0.84 -0.04 0.00 -1.04 0.00 0.00 56.93 56.70 3kxf s PHE 149 Cb 0.00 -2.28 0.03 0.00 -1.21 0.00 0.00 43.02 39.56 3kxf s PHE 149 CO 0.00 0.52 0.15 -0.47 -1.34 0.00 0.00 175.22 174.09 3kxf s TYR 150 N -0.58 -0.17 1.08 3.49 5.04 -0.45 0.89 117.35 126.64 3kxf s TYR 150 Ca 0.21 0.47 -0.18 0.00 -2.44 0.00 0.00 57.07 55.14 3kxf s TYR 150 Cb -0.15 -0.03 0.25 0.00 0.35 0.00 0.00 41.96 42.38 3kxf s TYR 150 CO 0.10 -0.14 1.26 -1.25 -1.34 0.00 0.00 175.55 174.17 3kxf s PRO 151 N 0.84 -0.27 -0.06 4.97 0.04 -1.26 -0.97 135.00 138.29 3kxf s PRO 151 Ca -0.06 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.61 3kxf s PRO 151 Cb -0.08 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.78 3kxf s PRO 151 CO -0.04 -3.03 1.46 -0.40 0.04 0.00 0.00 177.00 175.03 3kxf n ASP 152 N -4.21 4.08 -4.43 6.66 5.75 -1.26 -4.71 116.55 118.43 3kxf n ASP 152 Ca 0.16 -2.32 -0.44 0.00 -0.01 0.00 0.00 54.79 52.17 3kxf n ASP 152 Cb 0.59 -0.76 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3kxf n ASP 152 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3kxf s HIS 153 N -0.37 3.04 0.18 2.11 3.76 -1.26 -4.95 115.29 117.80 3kxf s HIS 153 Ca 0.06 -1.15 -0.01 0.00 -0.15 0.00 0.00 55.06 53.82 3kxf s HIS 153 Cb 0.05 -4.19 -0.04 0.00 1.11 0.00 0.00 32.58 29.51 3kxf s HIS 153 CO 0.01 -1.45 0.09 0.14 -0.85 0.00 0.00 174.74 172.68 3kxf s VAL 154 N 2.81 0.15 -0.11 -0.90 -7.23 -1.26 -2.66 120.40 111.19 3kxf s VAL 154 Ca 0.25 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3kxf s VAL 154 Cb -0.12 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.53 3kxf s VAL 154 CO -0.02 -0.19 0.06 -1.61 -0.31 0.00 0.00 175.10 173.03 3kxf s GLU 155 N -4.09 0.18 -0.02 4.82 2.02 0.07 -4.94 118.70 116.74 3kxf s GLU 155 Ca 0.33 0.07 -0.08 0.00 0.02 0.00 0.00 54.97 55.30 3kxf s GLU 155 Cb 0.07 -1.27 -0.05 0.00 0.10 0.00 0.00 34.13 32.99 3kxf s GLU 155 CO 0.08 -0.49 0.26 -1.17 0.02 0.00 0.00 175.26 173.97 3kxf s LEU 156 N 2.08 4.39 -0.21 1.80 0.20 -1.26 -0.47 118.68 125.21 3kxf s LEU 156 Ca 0.03 0.61 -0.13 0.00 0.69 0.00 0.00 54.13 55.33 3kxf s LEU 156 Cb -0.14 -2.54 0.06 0.00 -0.43 0.00 0.00 46.19 43.15 3kxf s LEU 156 CO -0.06 0.30 0.52 -0.94 -0.29 0.00 0.00 176.35 175.87 3kxf s SER 157 N -1.46 -0.66 -0.13 3.68 1.04 -0.03 -5.01 113.70 111.13 3kxf s SER 157 Ca 0.24 1.11 -0.14 0.00 0.48 0.00 0.00 55.95 57.65 3kxf s SER 157 Cb -0.13 1.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.95 3kxf s SER 157 CO 0.13 -0.21 0.32 0.26 0.98 0.00 0.00 173.24 174.73 3kxf s TRP 158 N 1.27 3.52 -0.17 5.02 0.52 -1.26 -0.79 118.94 127.05 3kxf s TRP 158 Ca -0.08 0.69 0.01 0.00 0.02 0.00 0.00 56.10 56.74 3kxf s TRP 158 Cb -0.07 -2.33 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 3kxf s TRP 158 CO -0.13 0.33 -0.14 -1.58 0.02 0.00 0.00 176.95 175.45 3kxf s TRP 159 N 0.13 2.34 -0.22 -1.98 0.52 0.40 -0.62 118.94 119.52 3kxf s TRP 159 Ca 0.19 -1.39 -0.04 0.00 0.02 0.00 0.00 56.10 54.87 3kxf s TRP 159 Cb -0.14 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 3kxf s TRP 159 CO 0.06 -0.71 -0.03 0.08 0.02 0.00 0.00 176.95 176.37 3kxf s VAL 160 N 1.43 3.50 -1.00 4.03 1.01 0.14 -0.57 120.40 128.93 3kxf s VAL 160 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3kxf s VAL 160 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3kxf s VAL 160 CO -0.10 0.42 0.07 0.59 0.00 0.00 0.00 175.10 176.08 3kxf n ASN 161 N 4.69 -3.67 0.00 3.32 3.02 0.62 -1.34 115.26 121.91 3kxf n ASN 161 Ca -0.18 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3kxf n ASN 161 Cb 0.51 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 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 -0.84 0.54 3.34 7.41 0.00 -1.26 -5.02 105.19 109.36 3kxf n GLY 162 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.89 2.90 0.21 1.61 1.02 -0.45 -5.09 119.74 119.06 3kxf s LYS 163 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 3kxf s LYS 163 Cb 0.00 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 3kxf s LYS 163 CO 0.00 0.35 1.40 -2.00 -0.92 0.00 0.00 175.35 174.17 3kxf s GLU 164 N -0.03 4.31 0.13 1.68 2.12 -1.26 0.25 118.70 125.90 3kxf s GLU 164 Ca -0.05 2.19 0.10 0.00 0.36 0.00 0.00 54.97 57.57 3kxf s GLU 164 Cb -0.14 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 3kxf s GLU 164 CO 0.04 -0.37 -0.23 0.14 -0.54 0.00 0.00 175.26 174.30 3kxf s VAL 165 N 0.24 2.48 0.00 3.70 -7.23 0.21 -4.88 120.40 114.92 3kxf s VAL 165 Ca 0.60 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 3kxf s VAL 165 Cb -0.39 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.42 3kxf s VAL 165 CO 0.39 0.07 0.00 1.41 -0.31 0.00 0.00 175.10 176.66 3kxf n HIS 166 N 0.78 0.00 -2.73 2.82 -0.00 -1.26 -4.42 115.22 110.41 3kxf n HIS 166 Ca -0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.17 3kxf n HIS 166 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 3kxf n HIS 166 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3kxf s SER 167 N -1.90 7.45 -0.07 0.41 0.15 -1.26 -3.57 113.70 114.91 3kxf s SER 167 Ca 0.00 1.94 0.00 0.00 0.70 0.00 0.00 55.95 58.59 3kxf s SER 167 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 3kxf s SER 167 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3kxf n GLY 168 N 1.04 0.48 3.30 9.45 0.00 -1.26 -4.91 105.19 113.29 3kxf n GLY 168 Ca -0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.93 2.40 -0.02 1.61 1.01 -1.23 -0.90 120.40 121.34 3kxf s VAL 169 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3kxf s VAL 169 Cb 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3kxf s VAL 169 CO 0.00 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.70 3kxf s THR 171 N 0.74 2.37 0.49 0.00 2.01 -1.26 -0.80 115.64 119.18 3kxf s THR 171 Ca -0.06 -1.75 -0.22 0.00 0.31 0.00 0.00 61.69 59.97 3kxf s THR 171 Cb -0.09 -2.07 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 3kxf s THR 171 CO -0.02 0.07 0.90 0.47 -0.69 0.00 0.00 174.62 175.35 3kxf n ASP 172 N 0.81 0.69 0.42 3.53 8.00 -0.90 -4.94 116.55 124.17 3kxf n ASP 172 Ca -0.17 0.93 -0.19 0.00 0.71 0.00 0.00 54.79 56.07 3kxf n ASP 172 Cb 0.53 -1.32 -0.09 0.00 -0.02 0.00 0.00 41.12 40.22 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 1.05 -1.01 -5.36 -0.24 0.11 -1.99 -3.45 132.00 121.11 3kxf h PRO 173 Ca -0.45 0.07 -0.42 0.00 0.11 0.00 0.00 66.00 65.30 3kxf h PRO 173 Cb 1.36 0.23 -0.22 0.00 0.11 0.00 0.00 31.00 32.47 3kxf h PRO 173 CO 0.54 -0.67 -0.78 -1.21 -0.21 0.00 0.00 178.00 175.67 3kxf s GLU 174 N -5.96 0.85 0.21 1.05 8.01 -1.26 -5.12 118.70 116.48 3kxf s GLU 174 Ca -0.18 -0.91 -0.32 0.00 0.01 0.00 0.00 54.97 53.57 3kxf s GLU 174 Cb 0.03 -0.87 -0.13 0.00 -4.31 0.00 0.00 34.13 28.85 3kxf s GLU 174 CO 0.61 0.20 1.64 -2.30 0.01 0.00 0.00 175.26 175.42 3kxf n PRO 175 N 1.44 2.51 -2.18 0.39 -0.02 -1.26 -4.99 135.00 130.90 3kxf n PRO 175 Ca -0.20 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 3kxf n PRO 175 Cb 0.54 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.82 3.61 -0.17 2.45 2.96 -0.09 -4.86 118.68 123.40 3kxf s LEU 176 Ca 0.75 1.91 -0.07 0.00 -0.22 0.00 0.00 54.13 56.49 3kxf s LEU 176 Cb -0.57 -4.55 -0.04 0.00 0.50 0.00 0.00 46.19 41.53 3kxf s LEU 176 CO 0.37 -1.11 0.07 -0.54 -1.32 0.00 0.00 176.35 173.82 3kxf s LYS 177 N -3.75 3.90 0.10 1.98 1.02 -1.26 -1.35 119.74 120.37 3kxf s LYS 177 Ca 0.66 -0.31 -0.04 0.00 0.02 0.00 0.00 55.97 56.30 3kxf s LYS 177 Cb -0.17 -3.22 -0.22 0.00 -0.52 0.00 0.00 37.83 33.70 3kxf s LYS 177 CO 0.32 0.35 1.20 0.93 -0.92 0.00 0.00 175.35 177.22 3kxf h GLU 178 N 6.44 0.29 -2.25 1.68 5.08 -1.76 -3.38 114.58 120.69 3kxf h GLU 178 Ca -0.40 -0.44 -0.59 0.00 -1.00 0.00 0.00 59.36 56.93 3kxf h GLU 178 Cb 1.17 0.15 -0.41 0.00 0.50 0.00 0.00 28.75 30.16 3kxf h GLU 178 CO 0.69 1.17 -0.69 1.04 -1.00 0.00 0.00 179.01 180.22 3kxf n GLN 179 N -3.59 2.07 -0.24 2.33 1.13 -1.26 -4.96 117.38 112.86 3kxf n GLN 179 Ca -0.08 -4.35 0.26 0.00 -1.94 0.00 0.00 57.00 50.89 3kxf n GLN 179 Cb 0.96 -2.05 0.64 0.00 0.11 0.00 0.00 30.24 29.90 3kxf n GLN 179 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3kxf h PRO 180 N 4.30 0.16 0.28 -1.09 0.11 -1.96 0.16 132.00 133.97 3kxf h PRO 180 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kxf h PRO 180 Cb 0.72 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 3kxf h PRO 180 CO 0.75 0.10 -0.29 0.00 -0.21 0.00 0.00 178.00 178.35 3kxf h ALA 181 N 1.56 -0.61 -2.78 -0.75 0.00 -1.97 -3.44 119.26 111.26 3kxf h ALA 181 Ca 0.49 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.77 3kxf h ALA 181 Cb 1.63 0.43 0.13 0.00 0.00 0.00 0.00 17.79 19.97 3kxf h ALA 181 CO -0.10 -0.88 0.45 -0.51 0.00 0.00 0.00 179.25 178.21 3kxf s LEU 182 N -10.21 3.54 -0.04 0.00 1.43 0.56 -4.99 118.68 108.98 3kxf s LEU 182 Ca -0.16 2.36 -0.25 0.00 -1.03 0.00 0.00 54.13 55.04 3kxf s LEU 182 Cb 0.06 -4.59 -0.20 0.00 0.03 0.00 0.00 46.19 41.49 3kxf s LEU 182 CO 0.64 -1.79 1.14 0.78 0.23 0.00 0.00 176.35 177.35 3kxf h ASN 183 N 0.48 -0.05 -0.60 2.29 4.21 -1.86 -3.32 115.58 116.74 3kxf h ASN 183 Ca -0.49 -0.51 -0.16 0.00 1.21 0.00 0.00 56.30 56.35 3kxf h ASN 183 Cb 1.30 0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 38.41 3kxf h ASN 183 CO 0.53 0.51 0.20 -0.90 -1.29 0.00 0.00 177.43 176.48 3kxf n ASP 184 N -4.85 4.40 -4.59 5.81 5.68 -1.26 -4.99 116.55 116.76 3kxf n ASP 184 Ca -0.09 -2.96 -0.51 0.00 -0.50 0.00 0.00 54.79 50.73 3kxf n ASP 184 Cb 0.28 -0.70 -0.05 0.00 -1.14 0.00 0.00 41.12 39.51 3kxf n ASP 184 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3kxf n SER 185 N 0.01 1.54 -4.79 -1.12 2.88 -1.25 -4.95 113.62 105.93 3kxf n SER 185 Ca 0.32 1.13 -0.31 0.00 -1.33 0.00 0.00 58.87 58.68 3kxf n SER 185 Cb 1.19 -1.20 0.07 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.20 2.63 0.51 -1.46 0.52 -1.26 -4.86 118.95 115.23 3kxf s ARG 186 Ca 0.81 1.11 0.06 0.00 -0.52 0.00 0.00 55.73 57.19 3kxf s ARG 186 Cb -0.92 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3kxf s ARG 186 CO 0.49 -1.35 0.42 0.71 0.02 0.00 0.00 175.30 175.59 3kxf s TYR 187 N -2.88 1.92 -0.14 -0.53 2.02 0.26 -2.21 117.35 115.79 3kxf s TYR 187 Ca 0.61 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 56.39 3kxf s TYR 187 Cb -0.16 -2.01 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 3kxf s TYR 187 CO 0.53 -0.41 0.49 0.00 -1.57 0.00 0.00 175.55 174.58 3kxf s ALA 188 N -2.68 -1.21 0.01 3.71 0.00 -0.46 -0.48 121.76 120.65 3kxf s ALA 188 Ca 0.40 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.59 3kxf s ALA 188 Cb -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 3kxf s ALA 188 CO 0.25 -0.25 -0.05 -1.17 0.00 0.00 0.00 175.76 174.53 3kxf s LEU 189 N -0.17 2.10 0.06 0.00 2.96 0.54 -0.91 118.68 123.26 3kxf s LEU 189 Ca -0.03 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.70 3kxf s LEU 189 Cb -0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 3kxf s LEU 189 CO 0.02 -0.05 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.85 3kxf s SER 190 N -0.64 2.56 0.06 3.68 1.04 -1.26 -0.08 113.70 119.05 3kxf s SER 190 Ca -0.03 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3kxf s SER 190 Cb -0.05 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 3kxf s SER 190 CO -0.00 0.14 -0.01 -0.55 0.98 0.00 0.00 173.24 173.80 3kxf s SER 191 N -1.37 0.46 -0.00 7.02 0.15 -0.10 -2.11 113.70 117.75 3kxf s SER 191 Ca 0.08 -0.99 0.02 0.00 0.70 0.00 0.00 55.95 55.75 3kxf s SER 191 Cb -0.09 0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 3kxf s SER 191 CO 0.02 -0.62 -0.06 -0.13 1.20 0.00 0.00 173.24 173.66 3kxf s ARG 192 N -3.92 0.49 -0.11 5.44 0.52 0.01 -0.84 118.95 120.54 3kxf s ARG 192 Ca 0.08 -0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 3kxf s ARG 192 Cb 0.08 -0.48 0.02 0.00 0.52 0.00 0.00 34.95 35.10 3kxf s ARG 192 CO -0.09 0.13 -0.08 -1.17 0.02 0.00 0.00 175.30 174.11 3kxf s LEU 193 N -0.13 1.21 -0.14 2.53 2.96 -0.89 -1.95 118.68 122.26 3kxf s LEU 193 Ca 0.02 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3kxf s LEU 193 Cb -0.02 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 3kxf s LEU 193 CO -0.00 -0.11 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.27 3kxf s ARG 194 N 1.62 3.55 0.24 1.98 3.52 -0.07 -1.32 118.95 128.46 3kxf s ARG 194 Ca 0.03 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 3kxf s ARG 194 Cb -0.13 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 3kxf s ARG 194 CO -0.07 0.28 0.05 0.14 -0.81 0.00 0.00 175.30 174.90 3kxf s VAL 195 N 0.23 0.72 0.88 7.11 -7.23 -0.49 -4.70 120.40 116.93 3kxf s VAL 195 Ca -0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 3kxf s VAL 195 Cb -0.14 -2.47 0.12 0.00 0.56 0.00 0.00 36.38 34.45 3kxf s VAL 195 CO 0.03 -0.18 1.11 -0.94 -0.31 0.00 0.00 175.10 174.82 3kxf s SER 196 N -3.29 3.40 0.23 4.85 1.04 -1.26 0.15 113.70 118.82 3kxf s SER 196 Ca 0.33 1.92 -0.07 0.00 0.48 0.00 0.00 55.95 58.60 3kxf s SER 196 Cb 0.07 -2.48 0.21 0.00 0.10 0.00 0.00 66.02 63.92 3kxf s SER 196 CO 0.10 -2.75 1.87 0.00 0.98 0.00 0.00 173.24 173.44 3kxf h ALA 197 N -1.62 1.16 -0.63 5.32 0.00 -1.57 -2.65 119.26 119.27 3kxf h ALA 197 Ca -0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 3kxf h ALA 197 Cb 1.26 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3kxf h ALA 197 CO 0.47 0.64 0.21 1.79 0.00 0.00 0.00 179.25 182.37 3kxf h THR 198 N 1.26 1.25 -0.40 0.00 1.35 -1.92 -0.62 112.91 113.82 3kxf h THR 198 Ca 0.32 -0.82 -0.07 0.00 -0.55 0.00 0.00 66.41 65.29 3kxf h THR 198 Cb -0.01 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 3kxf h THR 198 CO -0.06 0.32 -0.03 0.15 -0.25 0.00 0.00 175.52 175.65 3kxf h PHE 199 N 0.91 0.69 -0.05 4.73 3.04 -1.90 -2.51 116.94 121.85 3kxf h PHE 199 Ca 0.21 -0.09 -0.17 0.00 3.98 0.00 0.00 57.97 61.90 3kxf h PHE 199 Cb 0.27 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 3kxf h PHE 199 CO 0.02 0.68 -0.70 2.35 -2.02 0.00 0.00 178.31 178.63 3kxf h TRP 200 N 0.61 0.36 0.00 0.41 2.91 -1.17 -3.19 115.95 115.89 3kxf h TRP 200 Ca 0.12 -0.16 0.00 0.00 1.13 0.00 0.00 58.89 59.98 3kxf h TRP 200 Cb 0.43 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 3kxf h TRP 200 CO 0.02 0.88 0.00 1.04 -1.03 0.00 0.00 178.44 179.35 3kxf n GLN 201 N -3.81 0.33 -2.70 2.65 6.02 -0.27 0.25 117.38 119.85 3kxf n GLN 201 Ca -0.03 0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 3kxf n GLN 201 Cb 0.69 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 3kxf n GLN 201 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3kxf s ASN 202 N -2.51 6.69 0.00 1.08 3.84 -1.11 -2.88 114.94 120.05 3kxf s ASN 202 Ca 0.21 0.58 0.11 0.00 0.21 0.00 0.00 52.86 53.97 3kxf s ASN 202 Cb 0.14 -2.51 0.65 0.00 -0.55 0.00 0.00 41.25 38.98 3kxf s ASN 202 CO 0.30 -1.02 1.14 -0.81 -2.79 0.00 0.00 177.10 173.93 3kxf n PRO 203 N 7.20 0.63 -0.04 0.43 -0.04 -1.25 -2.10 135.00 139.83 3kxf n PRO 203 Ca 0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 3kxf n PRO 203 Cb 0.48 -1.27 -0.15 0.00 -0.04 0.00 0.00 33.50 32.52 3kxf n PRO 203 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kxf n ARG 204 N -0.77 0.67 -2.25 0.54 5.12 -1.26 -4.65 116.66 114.05 3kxf n ARG 204 Ca 0.08 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 3kxf n ARG 204 Cb 0.04 -1.57 -0.03 0.00 -1.16 0.00 0.00 32.46 29.74 3kxf n ARG 204 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3kxf s ASN 205 N -5.19 6.88 -0.27 0.55 0.01 -0.89 -4.92 114.94 111.10 3kxf s ASN 205 Ca -0.08 2.10 -0.03 0.00 -0.71 0.00 0.00 52.86 54.13 3kxf s ASN 205 Cb 0.09 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.21 3kxf s ASN 205 CO 0.85 -0.69 -0.01 -2.28 -1.51 0.00 0.00 177.10 173.46 3kxf s HIS 206 N 2.25 3.11 -0.24 2.20 5.65 -1.26 -0.78 115.29 126.21 3kxf s HIS 206 Ca 0.63 -1.42 -0.07 0.00 0.25 0.00 0.00 55.06 54.46 3kxf s HIS 206 Cb -0.31 -2.12 -0.02 0.00 -1.18 0.00 0.00 32.58 28.94 3kxf s HIS 206 CO 0.26 -0.69 0.05 -0.06 -0.65 0.00 0.00 174.74 173.65 3kxf s PHE 207 N 1.37 3.06 -0.10 3.88 0.40 -0.62 -0.27 117.98 125.69 3kxf s PHE 207 Ca 0.00 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 3kxf s PHE 207 Cb -0.17 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.16 3kxf s PHE 207 CO -0.02 -0.40 -0.15 0.50 0.70 0.00 0.00 175.22 175.85 3kxf s ARG 208 N 1.59 2.19 -0.17 0.44 3.52 0.26 -1.55 118.95 125.23 3kxf s ARG 208 Ca 0.06 -0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 54.95 3kxf s ARG 208 Cb -0.15 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 3kxf s ARG 208 CO 0.02 -0.05 0.36 0.00 -0.81 0.00 0.00 175.30 174.83 3kxf s GLN 210 N 0.79 2.57 -0.15 0.00 0.74 0.03 -1.95 119.66 121.68 3kxf s GLN 210 Ca 0.19 -0.69 -0.00 0.00 0.05 0.00 0.00 55.36 54.91 3kxf s GLN 210 Cb -0.14 -2.14 -0.01 0.00 1.10 0.00 0.00 33.01 31.82 3kxf s GLN 210 CO 0.07 -0.06 -0.13 0.08 -0.55 0.00 0.00 175.29 174.69 3kxf s VAL 211 N 0.97 2.89 -0.30 1.34 1.01 -0.66 -0.85 120.40 124.80 3kxf s VAL 211 Ca -0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3kxf s VAL 211 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3kxf s VAL 211 CO -0.03 0.51 0.30 -1.58 0.00 0.00 0.00 175.10 174.30 3kxf s GLN 212 N 0.72 3.79 -0.11 2.72 2.00 0.38 -1.89 119.66 127.27 3kxf s GLN 212 Ca -0.06 -0.29 -0.04 0.00 -2.00 0.00 0.00 55.36 52.97 3kxf s GLN 212 Cb -0.15 -3.72 -0.04 0.00 0.80 0.00 0.00 33.01 29.90 3kxf s GLN 212 CO 0.02 -0.35 0.03 0.12 -0.50 0.00 0.00 175.29 174.61 3kxf s PHE 213 N 1.92 3.23 -0.34 1.67 5.36 -0.09 -0.75 117.98 128.98 3kxf s PHE 213 Ca 0.11 0.18 -0.07 0.00 -0.96 0.00 0.00 56.93 56.18 3kxf s PHE 213 Cb -0.16 -1.88 0.03 0.00 -0.34 0.00 0.00 43.02 40.67 3kxf s PHE 213 CO 0.11 0.41 0.12 0.71 -1.46 0.00 0.00 175.22 175.11 3kxf s TYR 214 N -0.57 3.24 0.00 10.12 1.51 -1.09 -1.11 117.35 129.45 3kxf s TYR 214 Ca 0.10 -1.26 0.00 0.00 -1.01 0.00 0.00 57.07 54.90 3kxf s TYR 214 Cb -0.12 -2.31 0.00 0.00 -0.11 0.00 0.00 41.96 39.42 3kxf s TYR 214 CO 0.02 -0.69 0.00 0.41 -1.11 0.00 0.00 175.55 174.18 3kxf n GLY 215 N 4.86 4.32 3.79 0.71 0.00 -1.26 -4.80 105.19 112.81 3kxf n GLY 215 Ca -0.13 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3kxf n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxf s LEU 216 N 0.00 2.17 0.00 0.99 1.02 -0.40 -4.42 118.68 118.04 3kxf s LEU 216 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.13 55.21 3kxf s LEU 216 Cb 0.00 -3.46 -0.00 0.00 0.02 0.00 0.00 46.19 42.75 3kxf s LEU 216 CO 0.00 -2.40 0.01 -1.54 0.02 0.00 0.00 176.35 172.43 3kxf n SER 217 N -3.68 1.96 -0.15 2.29 3.41 -1.26 -2.75 113.62 113.43 3kxf n SER 217 Ca 0.07 -1.38 -0.11 0.00 -0.26 0.00 0.00 58.87 57.19 3kxf n SER 217 Cb 0.58 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 3kxf n SER 217 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kxf h GLU 218 N 0.00 0.85 -0.72 4.33 3.07 -2.02 -2.89 114.58 117.19 3kxf h GLU 218 Ca -0.07 -0.32 0.10 0.00 -0.50 0.00 0.00 59.36 58.58 3kxf h GLU 218 Cb 0.22 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 3kxf h GLU 218 CO 0.11 0.95 0.48 -0.91 -1.40 0.00 0.00 179.01 178.24 3kxf h ASN 219 N 0.68 0.52 -2.78 1.42 4.21 -2.05 -3.43 115.58 114.15 3kxf h ASN 219 Ca 0.11 0.02 -0.53 0.00 1.21 0.00 0.00 56.30 57.11 3kxf h ASN 219 Cb 0.63 -0.09 0.04 0.00 -1.12 0.00 0.00 38.32 37.77 3kxf h ASN 219 CO 0.04 0.30 0.91 -1.81 -1.29 0.00 0.00 177.43 175.59 3kxf s ASP 220 N -6.09 6.59 0.59 5.81 -0.00 -1.09 -5.01 116.67 117.46 3kxf s ASP 220 Ca -0.09 2.58 -0.13 0.00 -0.00 0.00 0.00 52.55 54.91 3kxf s ASP 220 Cb 0.20 -2.58 -0.05 0.00 -0.00 0.00 0.00 42.92 40.49 3kxf s ASP 220 CO 0.77 -0.84 1.02 -1.61 -0.00 0.00 0.00 175.17 174.50 3kxf s GLU 221 N 1.56 3.64 -0.30 8.23 2.02 -1.26 -4.83 118.70 127.76 3kxf s GLU 221 Ca 0.71 0.88 -0.11 0.00 0.02 0.00 0.00 54.97 56.48 3kxf s GLU 221 Cb -0.43 -2.09 0.14 0.00 0.10 0.00 0.00 34.13 31.86 3kxf s GLU 221 CO 0.32 -0.53 0.74 -0.46 0.02 0.00 0.00 175.26 175.34 3kxf s TRP 222 N -2.90 -1.19 -0.46 1.61 -0.11 -1.26 -5.09 118.94 109.54 3kxf s TRP 222 Ca 0.57 1.99 0.08 0.00 1.22 0.00 0.00 56.10 59.96 3kxf s TRP 222 Cb -0.11 0.69 0.27 0.00 -1.50 0.00 0.00 33.47 32.82 3kxf s TRP 222 CO 0.44 -0.59 0.64 0.25 -4.62 0.00 0.00 176.95 173.07 3kxf n THR 223 N 5.33 0.44 -4.13 5.86 -2.24 -1.26 -5.08 114.28 113.20 3kxf n THR 223 Ca -0.11 -4.53 -0.09 0.00 -2.27 0.00 0.00 64.05 57.06 3kxf n THR 223 Cb 0.50 -1.68 -0.10 0.00 -2.10 0.00 0.00 70.33 66.95 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 -1.88 0.72 0.05 -0.78 -1.52 -1.26 -5.09 119.66 109.90 3kxf s GLN 224 Ca 0.38 -1.28 -0.34 0.00 -1.95 0.00 0.00 55.36 52.18 3kxf s GLN 224 Cb 0.20 0.02 -0.19 0.00 -0.22 0.00 0.00 33.01 32.82 3kxf s GLN 224 CO -0.08 -0.07 1.46 -0.44 -0.25 0.00 0.00 175.29 175.91 3kxf h ASP 225 N 3.06 -0.96 -4.01 5.90 3.32 -2.07 -3.44 116.42 118.22 3kxf h ASP 225 Ca -0.35 0.02 -0.54 0.00 0.02 0.00 0.00 57.03 56.19 3kxf h ASP 225 Cb 1.15 0.25 0.12 0.00 0.22 0.00 0.00 39.33 41.07 3kxf h ASP 225 CO 0.65 -0.64 0.63 0.00 -1.72 0.00 0.00 179.24 178.17 3kxf s ARG 226 N -5.65 3.48 0.37 3.56 1.70 -1.26 -4.91 118.95 116.25 3kxf s ARG 226 Ca -0.18 2.26 -0.26 0.00 -0.47 0.00 0.00 55.73 57.08 3kxf s ARG 226 Cb 0.02 -2.47 -0.12 0.00 -0.57 0.00 0.00 34.95 31.81 3kxf s ARG 226 CO 0.56 -0.92 0.98 0.00 -1.08 0.00 0.00 175.30 174.84 3kxf n ALA 227 N -0.55 -0.05 -1.70 7.88 0.00 -1.26 -4.88 120.51 119.96 3kxf n ALA 227 Ca 0.07 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3kxf n ALA 227 Cb 0.44 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.81 4.13 -1.37 0.00 2.20 -1.26 -4.88 119.74 116.75 3kxf s LYS 228 Ca 0.61 2.62 -0.12 0.00 -0.36 0.00 0.00 55.97 58.72 3kxf s LYS 228 Cb -0.61 -3.48 0.10 0.00 -1.51 0.00 0.00 37.83 32.33 3kxf s LYS 228 CO 0.58 -0.83 2.05 -0.35 -0.36 0.00 0.00 175.35 176.44 3kxf n PRO 229 N 5.31 3.22 -1.61 4.03 -0.04 -1.26 -4.97 135.00 139.69 3kxf n PRO 229 Ca 0.17 -3.06 -0.29 0.00 -0.04 0.00 0.00 63.50 60.28 3kxf n PRO 229 Cb 0.37 -3.12 0.10 0.00 -0.04 0.00 0.00 33.50 30.81 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 1.90 2.60 0.12 0.52 -7.23 -1.26 -1.27 120.40 115.78 3kxf s VAL 230 Ca 0.44 0.20 -0.32 0.00 -1.81 0.00 0.00 61.98 60.48 3kxf s VAL 230 Cb 0.12 -2.99 -0.12 0.00 0.56 0.00 0.00 36.38 33.95 3kxf s VAL 230 CO -0.04 -0.26 1.78 0.41 -0.31 0.00 0.00 175.10 176.68 3kxf n THR 231 N -3.51 0.27 -3.48 5.32 -1.04 -1.11 -4.16 114.28 106.56 3kxf n THR 231 Ca 0.07 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 61.93 3kxf n THR 231 Cb 0.58 -1.97 -0.03 0.00 -1.82 0.00 0.00 70.33 67.09 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 2.31 0.97 -0.22 -2.82 -2.07 -0.27 -4.88 119.66 112.68 3kxf s GLN 232 Ca 0.81 -0.27 -0.10 0.00 -1.82 0.00 0.00 55.36 53.98 3kxf s GLN 232 Cb -0.54 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 31.77 3kxf s GLN 232 CO 0.38 -0.41 0.15 0.42 -1.32 0.00 0.00 175.29 174.51 3kxf s ILE 233 N -3.00 5.38 -0.10 3.63 1.01 -1.26 -0.91 121.20 125.95 3kxf s ILE 233 Ca 0.02 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.88 3kxf s ILE 233 Cb -0.01 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3kxf s ILE 233 CO -0.08 0.39 -0.14 -0.69 0.00 0.00 0.00 174.94 174.43 3kxf s VAL 234 N 0.69 3.05 0.38 2.92 1.01 -0.79 -4.99 120.40 122.68 3kxf s VAL 234 Ca 0.08 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3kxf s VAL 234 Cb -0.12 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 3kxf s VAL 234 CO 0.01 0.55 0.03 -0.44 0.00 0.00 0.00 175.10 175.26 3kxf s SER 235 N -0.07 3.25 -0.19 3.32 0.01 -1.26 -1.65 113.70 117.11 3kxf s SER 235 Ca -0.02 -1.41 -0.16 0.00 1.31 0.00 0.00 55.95 55.66 3kxf s SER 235 Cb -0.14 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.00 3kxf s SER 235 CO 0.04 -0.57 0.50 0.00 0.41 0.00 0.00 173.24 173.62 3kxf s ALA 236 N -2.98 -1.26 0.02 1.44 0.00 -0.82 -4.68 121.76 113.47 3kxf s ALA 236 Ca 0.33 1.51 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 3kxf s ALA 236 Cb 0.08 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 3kxf s ALA 236 CO 0.16 -0.25 0.12 -1.83 0.00 0.00 0.00 175.76 173.96 3kxf s GLU 237 N 0.55 0.54 0.04 0.00 -1.05 -1.26 -0.79 118.70 116.72 3kxf s GLU 237 Ca -0.02 -0.56 -0.01 0.00 -0.15 0.00 0.00 54.97 54.23 3kxf s GLU 237 Cb -0.04 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 3kxf s GLU 237 CO -0.03 -0.13 -0.01 0.00 0.95 0.00 0.00 175.26 176.04 3kxf s ALA 238 N -1.94 0.27 0.18 -0.84 0.00 -0.59 -4.97 121.76 113.87 3kxf s ALA 238 Ca -0.10 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3kxf s ALA 238 Cb -0.05 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3kxf s ALA 238 CO -0.01 -0.28 0.34 -1.58 0.00 0.00 0.00 175.76 174.23 3kxf s TRP 239 N -2.78 3.48 0.85 0.00 0.51 -1.26 -1.60 118.94 118.15 3kxf s TRP 239 Ca -0.04 0.23 -0.11 0.00 -2.12 0.00 0.00 56.10 54.07 3kxf s TRP 239 Cb -0.00 -1.76 0.11 0.00 -0.81 0.00 0.00 33.47 31.00 3kxf s TRP 239 CO -0.06 0.44 1.14 0.20 -0.51 0.00 0.00 176.95 178.16 3kxf s GLY 240 N -3.22 1.79 -0.15 0.98 0.00 0.04 -4.96 107.32 101.79 3kxf s GLY 240 Ca 0.37 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.54 3kxf s GLY 240 CO 0.29 0.95 0.38 -1.60 0.00 0.00 0.00 173.10 173.12 3kxf s ARG 241 N -4.60 0.39 0.58 2.90 3.52 0.14 -3.83 118.95 118.05 3kxf s ARG 241 Ca 0.66 0.65 0.39 0.00 -0.13 0.00 0.00 55.73 57.30 3kxf s ARG 241 Cb -0.22 0.07 2.09 0.00 -1.56 0.00 0.00 34.95 35.33 3kxf s ARG 241 CO 0.55 -0.11 2.19 0.00 -0.81 0.00 0.00 175.30 177.13 3kxf h ALA 242 N 6.46 1.00 0.00 6.12 0.00 -1.79 -3.33 119.26 127.72 3kxf h ALA 242 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kxf h ALA 242 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kxf h ALA 242 CO 0.29 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.29