#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukp h MET 7 N 0.00 0.00 0.00 1.20 2.86 -1.90 -1.60 114.93 115.49 1ukp h MET 7 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1ukp h MET 7 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1ukp h MET 7 CO 0.00 0.00 -0.31 1.25 1.06 0.00 0.00 176.91 178.91 1ukp h LEU 8 N 0.00 0.00 -0.09 1.22 5.85 -1.88 -0.58 115.31 119.83 1ukp h LEU 8 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ukp h LEU 8 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ukp h LEU 8 CO 0.00 0.31 0.00 0.18 -0.34 0.00 0.00 178.44 178.59 1ukp n LEU 9 N -3.65 0.24 -0.79 2.25 4.77 -0.60 -2.66 117.00 116.55 1ukp n LEU 9 Ca -0.01 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 1ukp n LEU 9 Cb 0.43 -0.48 0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1ukp n LEU 9 CO 0.35 -0.18 0.58 0.59 -1.33 0.00 0.00 177.39 177.40 1ukp n ASN 10 N -1.74 2.75 -4.68 -1.43 3.02 -0.25 -4.32 115.26 108.61 1ukp n ASN 10 Ca 0.05 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 1ukp n ASN 10 Cb 0.29 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1ukp n ASN 10 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ukp s TYR 11 N -1.32 2.73 -0.21 3.10 6.14 -1.03 -4.53 117.35 122.22 1ukp s TYR 11 Ca 0.25 0.73 -0.03 0.00 0.64 0.00 0.00 57.07 58.67 1ukp s TYR 11 Cb 0.16 -3.70 -0.00 0.00 0.42 0.00 0.00 41.96 38.84 1ukp s TYR 11 CO 0.23 -2.64 -0.09 0.08 0.64 0.00 0.00 175.55 173.77 1ukp s VAL 12 N 2.66 3.02 0.43 3.14 1.01 -0.12 -4.94 120.40 125.60 1ukp s VAL 12 Ca 0.65 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 1ukp s VAL 12 Cb -0.32 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1ukp s VAL 12 CO 0.26 0.46 1.42 -2.16 0.00 0.00 0.00 175.10 175.08 1ukp s PRO 13 N 1.42 3.80 -0.14 2.72 0.04 -1.26 -4.27 135.00 137.30 1ukp s PRO 13 Ca 0.05 2.40 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 1ukp s PRO 13 Cb -0.14 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1ukp s PRO 13 CO -0.06 -0.72 -0.13 0.08 0.04 0.00 0.00 177.00 176.21 1ukp s VAL 14 N -1.20 2.94 0.25 -0.36 1.01 -1.26 -2.19 120.40 119.60 1ukp s VAL 14 Ca 0.59 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.99 1ukp s VAL 14 Cb -0.43 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1ukp s VAL 14 CO 0.56 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.72 1ukp s TYR 15 N 0.56 2.43 -0.06 5.22 2.02 0.12 -1.38 117.35 126.26 1ukp s TYR 15 Ca -0.08 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1ukp s TYR 15 Cb -0.16 -1.09 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1ukp s TYR 15 CO 0.04 0.64 -0.10 0.08 -1.57 0.00 0.00 175.55 174.64 1ukp s VAL 16 N -2.27 0.99 0.14 0.71 1.01 -0.60 -0.56 120.40 119.82 1ukp s VAL 16 Ca 0.29 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1ukp s VAL 16 Cb -0.06 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1ukp s VAL 16 CO 0.16 0.32 1.24 -0.04 0.00 0.00 0.00 175.10 176.78 1ukp s MET 17 N 0.75 4.43 0.79 2.72 -1.94 -0.33 -1.42 119.30 124.31 1ukp s MET 17 Ca -0.13 1.90 -0.11 0.00 -1.71 0.00 0.00 55.69 55.64 1ukp s MET 17 Cb -0.15 -3.27 0.06 0.00 2.01 0.00 0.00 34.83 33.49 1ukp s MET 17 CO 0.03 -0.21 1.09 -0.51 -0.01 0.00 0.00 175.02 175.40 1ukp s LEU 18 N 0.35 2.70 0.49 -0.03 1.43 -0.55 -0.31 118.68 122.77 1ukp s LEU 18 Ca 0.57 1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 54.89 1ukp s LEU 18 Cb -0.33 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 1ukp s LEU 18 CO 0.34 -1.98 1.37 -2.84 0.23 0.00 0.00 176.35 173.47 1ukp s PRO 19 N -5.07 3.45 0.37 1.29 0.02 -1.25 -4.63 135.00 129.18 1ukp s PRO 19 Ca 0.61 2.27 -0.27 0.00 0.02 0.00 0.00 61.00 63.63 1ukp s PRO 19 Cb -0.15 -2.46 -0.09 0.00 0.02 0.00 0.00 34.50 31.82 1ukp s PRO 19 CO 0.55 -0.96 1.26 -0.51 -0.33 0.00 0.00 177.00 177.01 1ukp s LEU 20 N -3.11 4.29 -0.01 -5.54 1.43 -1.26 -3.00 118.68 111.48 1ukp s LEU 20 Ca 0.66 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 1ukp s LEU 20 Cb -0.41 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1ukp s LEU 20 CO 0.50 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1ukp n GLY 21 N 0.73 0.46 0.41 -3.19 0.00 -1.26 -4.91 105.19 97.43 1ukp n GLY 21 Ca 0.02 -0.44 0.22 0.00 0.00 0.00 0.00 46.02 45.83 1ukp n GLY 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ukp h VAL 22 N 0.00 0.58 -3.52 1.61 3.04 -1.92 -2.99 116.25 113.06 1ukp h VAL 22 Ca -0.00 -0.13 -0.67 0.00 -1.01 0.00 0.00 66.70 64.89 1ukp h VAL 22 Cb 0.01 0.18 -0.30 0.00 -2.01 0.00 0.00 31.29 29.17 1ukp h VAL 22 CO 0.00 0.07 -0.72 -0.69 -1.01 0.00 0.00 177.57 175.22 1ukp s VAL 23 N -5.42 3.14 1.09 1.51 1.01 -1.26 -3.77 120.40 116.70 1ukp s VAL 23 Ca -0.08 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1ukp s VAL 23 Cb 0.24 -2.58 0.24 0.00 0.00 0.00 0.00 36.38 34.27 1ukp s VAL 23 CO 0.79 0.20 1.16 0.54 0.00 0.00 0.00 175.10 177.79 1ukp s ASN 24 N 1.38 1.93 0.43 3.32 2.20 -0.26 -4.84 114.94 119.11 1ukp s ASN 24 Ca 0.01 0.64 0.29 0.00 -0.94 0.00 0.00 52.86 52.86 1ukp s ASN 24 Cb -0.16 -0.91 1.54 0.00 -2.00 0.00 0.00 41.25 39.71 1ukp s ASN 24 CO -0.03 -3.50 1.89 -0.37 -2.94 0.00 0.00 177.10 172.16 1ukp h VAL 25 N -2.15 0.00 -0.31 3.54 -1.51 -1.89 0.45 116.25 114.38 1ukp h VAL 25 Ca -0.46 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1ukp h VAL 25 Cb 1.29 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1ukp h VAL 25 CO 0.41 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.22 1ukp n ASP 26 N -2.54 2.29 -2.84 4.19 8.00 -1.26 -4.90 116.55 119.49 1ukp n ASP 26 Ca -0.01 -1.87 -0.14 0.00 0.71 0.00 0.00 54.79 53.48 1ukp n ASP 26 Cb 0.08 -0.20 0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1ukp n ASP 26 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ukp n ASN 27 N 0.74 -2.66 -4.10 -2.24 2.85 0.15 -5.04 115.26 104.95 1ukp n ASN 27 Ca 0.16 -0.46 -0.25 0.00 -0.11 0.00 0.00 54.58 53.93 1ukp n ASN 27 Cb 0.40 -3.99 -0.16 0.00 1.24 0.00 0.00 39.78 37.28 1ukp n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ukp s VAL 28 N -3.27 1.29 -1.06 3.44 1.01 -1.25 -4.55 120.40 116.01 1ukp s VAL 28 Ca 0.09 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1ukp s VAL 28 Cb -0.04 -1.11 0.11 0.00 0.00 0.00 0.00 36.38 35.34 1ukp s VAL 28 CO 0.55 0.38 1.35 0.12 0.00 0.00 0.00 175.10 177.50 1ukp s PHE 29 N 0.08 3.01 0.05 5.22 5.36 -1.26 -1.10 117.98 129.34 1ukp s PHE 29 Ca -0.04 -1.44 -0.21 0.00 -0.96 0.00 0.00 56.93 54.28 1ukp s PHE 29 Cb -0.11 -4.45 -0.10 0.00 -0.34 0.00 0.00 43.02 38.02 1ukp s PHE 29 CO 0.02 -1.62 1.32 0.93 -1.46 0.00 0.00 175.22 174.41 1ukp h GLU 30 N 8.56 -0.55 -2.79 10.12 5.08 -1.91 -3.38 114.58 129.71 1ukp h GLU 30 Ca 0.24 0.04 -0.68 0.00 -1.00 0.00 0.00 59.36 57.96 1ukp h GLU 30 Cb 0.97 0.12 -0.37 0.00 0.50 0.00 0.00 28.75 29.97 1ukp h GLU 30 CO 1.26 -0.37 -0.16 -3.47 -1.00 0.00 0.00 179.01 175.28 1ukp n ASP 31 N -4.16 4.36 -0.03 1.42 2.03 -1.26 -4.89 116.55 114.01 1ukp n ASP 31 Ca -0.07 -3.32 -0.09 0.00 0.52 0.00 0.00 54.79 51.83 1ukp n ASP 31 Cb 0.27 -0.92 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 1ukp n ASP 31 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ukp h PRO 32 N 5.13 0.13 -0.72 -0.67 0.11 -1.95 -1.71 132.00 132.32 1ukp h PRO 32 Ca 0.18 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1ukp h PRO 32 Cb 0.71 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 1ukp h PRO 32 CO 0.93 0.09 0.35 -0.44 -0.21 0.00 0.00 178.00 178.71 1ukp h ASP 33 N 0.13 0.95 -0.55 -2.05 3.32 -1.97 0.30 116.42 116.55 1ukp h ASP 33 Ca 0.08 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1ukp h ASP 33 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1ukp h ASP 33 CO -0.08 0.81 0.04 1.23 -1.72 0.00 0.00 179.24 179.52 1ukp h GLY 34 N 1.01 1.03 0.94 2.75 0.00 -1.93 -2.41 103.07 104.45 1ukp h GLY 34 Ca 0.25 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1ukp h GLY 34 CO -0.03 0.67 -0.14 -2.00 0.00 0.00 0.00 176.54 175.04 1ukp h LEU 35 N 0.83 0.69 -0.78 3.11 5.85 -1.10 -2.91 115.31 121.01 1ukp h LEU 35 Ca 0.16 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.56 1ukp h LEU 35 Cb 0.49 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1ukp h LEU 35 CO 0.02 0.93 0.45 0.50 -0.34 0.00 0.00 178.44 180.00 1ukp h LYS 36 N 0.44 0.76 -0.44 1.25 3.64 -0.87 0.28 116.57 121.63 1ukp h LYS 36 Ca 0.08 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ukp h LYS 36 Cb 0.66 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1ukp h LYS 36 CO 0.04 0.50 0.27 1.49 -2.27 0.00 0.00 179.45 179.48 1ukp h GLU 37 N 0.78 0.52 -0.55 1.90 4.22 -1.35 -0.07 114.58 120.03 1ukp h GLU 37 Ca 0.36 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.71 1ukp h GLU 37 Cb 0.27 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1ukp h GLU 37 CO -0.21 0.34 0.11 1.96 -2.18 0.00 0.00 179.01 179.03 1ukp h GLN 38 N 0.53 0.89 -0.37 1.92 4.20 -0.95 -2.88 115.11 118.46 1ukp h GLN 38 Ca 0.18 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1ukp h GLN 38 Cb 0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1ukp h GLN 38 CO -0.08 0.85 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.77 1ukp h LEU 39 N 0.79 0.62 -1.38 1.46 3.38 -0.13 -2.18 115.31 117.86 1ukp h LEU 39 Ca 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ukp h LEU 39 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1ukp h LEU 39 CO 0.01 0.75 0.08 -0.07 0.09 0.00 0.00 178.44 179.30 1ukp h LEU 40 N 0.59 0.46 -0.27 1.67 3.38 -0.89 -0.31 115.31 119.94 1ukp h LEU 40 Ca 0.11 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1ukp h LEU 40 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ukp h LEU 40 CO 0.03 0.46 -0.79 1.56 0.09 0.00 0.00 178.44 179.79 1ukp h GLN 41 N 0.50 0.55 0.03 1.13 4.20 -1.23 -1.79 115.11 118.50 1ukp h GLN 41 Ca 0.12 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 1ukp h GLN 41 Cb 0.19 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ukp h GLN 41 CO -0.00 1.10 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.17 1ukp h LEU 42 N 0.37 -0.04 -0.92 1.46 3.38 -0.78 -0.48 115.31 118.30 1ukp h LEU 42 Ca -0.05 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 57.96 1ukp h LEU 42 Cb 1.40 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.07 1ukp h LEU 42 CO 0.15 0.05 0.55 -0.09 0.09 0.00 0.00 178.44 179.19 1ukp h ARG 43 N -0.12 0.85 0.00 1.13 9.65 -1.06 0.27 114.38 125.11 1ukp h ARG 43 Ca -0.00 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1ukp h ARG 43 Cb 0.11 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1ukp h ARG 43 CO 0.01 0.56 -0.10 0.00 2.80 0.00 0.00 179.97 183.24 1ukp h ALA 44 N 1.52 1.08 -0.00 2.80 0.00 -0.61 -1.13 119.26 122.92 1ukp h ALA 44 Ca 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ukp h ALA 44 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ukp h ALA 44 CO -0.28 0.12 -0.16 0.00 0.00 0.00 0.00 179.25 178.94 1ukp n ALA 45 N -2.18 2.76 -0.23 0.00 0.00 0.91 -4.92 120.51 116.85 1ukp n ALA 45 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ukp n ALA 45 Cb 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1ukp n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 46 N 1.45 0.76 3.71 0.00 0.00 -0.43 -4.80 105.19 105.88 1ukp n GLY 46 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1ukp n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ukp n VAL 47 N -2.13 1.05 0.04 1.61 0.31 -1.03 -4.69 118.33 113.48 1ukp n VAL 47 Ca 0.00 -0.26 -0.20 0.00 -0.01 0.00 0.00 64.34 63.87 1ukp n VAL 47 Cb 0.00 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.12 1ukp n VAL 47 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ukp h ASP 48 N 4.38 0.85 -1.15 4.52 5.19 -1.58 -3.43 116.42 125.20 1ukp h ASP 48 Ca -0.46 -0.74 0.01 0.00 -0.62 0.00 0.00 57.03 55.22 1ukp h ASP 48 Cb 1.25 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 1ukp h ASP 48 CO 0.77 1.48 0.09 0.61 -3.12 0.00 0.00 179.24 179.07 1ukp n GLY 49 N 1.09 1.45 3.39 2.75 0.00 -1.19 -2.47 105.19 110.20 1ukp n GLY 49 Ca -0.11 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 1ukp n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ukp s VAL 50 N -2.63 1.04 0.01 1.61 -7.23 -0.22 -1.55 120.40 111.42 1ukp s VAL 50 Ca 0.04 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1ukp s VAL 50 Cb -0.01 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1ukp s VAL 50 CO 0.02 -0.11 -0.16 -0.32 -0.31 0.00 0.00 175.10 174.22 1ukp s MET 51 N -3.90 1.19 -0.05 4.82 0.00 -0.50 -0.61 119.30 120.24 1ukp s MET 51 Ca 0.34 -0.67 -0.08 0.00 0.00 0.00 0.00 55.69 55.28 1ukp s MET 51 Cb 0.07 -1.18 0.01 0.00 0.00 0.00 0.00 34.83 33.74 1ukp s MET 51 CO 0.13 0.31 0.20 0.54 0.00 0.00 0.00 175.02 176.20 1ukp s VAL 52 N -0.56 0.03 0.04 10.11 0.11 -0.45 -1.49 120.40 128.20 1ukp s VAL 52 Ca 0.05 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 1ukp s VAL 52 Cb -0.07 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1ukp s VAL 52 CO 0.00 -0.15 0.97 -1.81 -3.33 0.00 0.00 175.10 170.79 1ukp s ASP 53 N -0.52 7.41 -0.95 3.54 1.01 -1.26 -1.08 116.67 124.82 1ukp s ASP 53 Ca -0.06 1.71 -0.05 0.00 0.71 0.00 0.00 52.55 54.85 1ukp s ASP 53 Cb -0.04 -2.58 0.24 0.00 1.01 0.00 0.00 42.92 41.55 1ukp s ASP 53 CO 0.01 -0.19 0.88 -0.69 0.21 0.00 0.00 175.17 175.39 1ukp s VAL 54 N 0.66 5.02 -0.06 -1.27 1.01 0.99 -4.88 120.40 121.86 1ukp s VAL 54 Ca 0.50 -3.54 -0.33 0.00 0.00 0.00 0.00 61.98 58.61 1ukp s VAL 54 Cb -0.22 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1ukp s VAL 54 CO 0.29 -1.11 1.89 0.79 0.00 0.00 0.00 175.10 176.96 1ukp n TRP 55 N 2.67 2.36 -0.24 5.22 7.02 -1.26 -2.72 117.44 130.48 1ukp n TRP 55 Ca 0.21 -0.06 -0.03 0.00 -1.02 0.00 0.00 57.50 56.60 1ukp n TRP 55 Cb 0.39 -2.68 0.16 0.00 -2.42 0.00 0.00 31.31 26.75 1ukp n TRP 55 CO 0.00 0.00 0.00 2.35 -2.02 0.00 0.00 177.69 178.02 1ukp h TRP 56 N 9.30 1.05 0.00 -5.99 7.01 -1.47 -1.50 115.95 124.36 1ukp h TRP 56 Ca -0.49 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.48 1ukp h TRP 56 Cb 1.27 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 1ukp h TRP 56 CO 0.88 0.76 0.00 0.78 -2.79 0.00 0.00 178.44 178.07 1ukp h GLY 57 N 1.10 0.00 0.00 2.65 0.00 -1.80 -2.44 103.07 102.58 1ukp h GLY 57 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.34 1ukp h GLY 57 CO -0.04 0.00 -1.66 1.39 0.00 0.00 0.00 176.54 176.24 1ukp n ILE 58 N -2.86 1.51 0.10 2.60 5.41 -0.63 -4.31 119.36 121.18 1ukp n ILE 58 Ca -0.02 -0.11 -0.13 0.00 1.00 0.00 0.00 62.75 63.50 1ukp n ILE 58 Cb 0.11 -2.09 -0.06 0.00 -0.71 0.00 0.00 39.64 36.88 1ukp n ILE 58 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ukp h ILE 59 N -1.00 0.75 -0.91 1.39 1.08 -1.31 -3.20 117.51 114.31 1ukp h ILE 59 Ca -0.37 0.00 -0.55 0.00 -0.39 0.00 0.00 64.86 63.55 1ukp h ILE 59 Cb 1.27 0.75 -0.29 0.00 -3.07 0.00 0.00 36.82 35.48 1ukp h ILE 59 CO -0.23 0.00 0.57 1.21 -0.69 0.00 0.00 178.15 179.01 1ukp n GLU 60 N -5.23 2.46 -0.10 2.37 2.13 -0.93 -2.19 120.64 119.14 1ukp n GLU 60 Ca -0.07 -3.21 -0.13 0.00 0.66 0.00 0.00 57.16 54.41 1ukp n GLU 60 Cb 0.15 -2.19 -0.04 0.00 0.27 0.00 0.00 31.44 29.64 1ukp n GLU 60 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ukp h LEU 61 N 1.47 0.76 -0.76 4.31 5.85 -1.72 -3.28 115.31 121.93 1ukp h LEU 61 Ca 0.56 -0.45 0.17 0.00 0.84 0.00 0.00 57.88 59.00 1ukp h LEU 61 Cb 1.85 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 42.55 1ukp h LEU 61 CO 1.20 1.05 0.20 0.11 -0.34 0.00 0.00 178.44 180.66 1ukp h LYS 62 N 0.48 0.28 0.00 1.25 6.56 -1.83 -3.42 116.57 119.89 1ukp h LYS 62 Ca 0.06 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1ukp h LYS 62 Cb 0.80 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1ukp h LYS 62 CO 0.06 0.18 0.00 0.41 -2.06 0.00 0.00 179.45 178.05 1ukp n GLY 63 N -1.35 0.34 3.62 3.86 0.00 -1.24 -5.00 105.19 105.42 1ukp n GLY 63 Ca 0.15 -1.08 -0.48 0.00 0.00 0.00 0.00 46.02 44.61 1ukp n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ukp n PRO 64 N -0.61 1.54 -1.87 1.61 -0.02 -1.26 -1.52 135.00 132.87 1ukp n PRO 64 Ca 0.00 0.55 -0.16 0.00 -2.02 0.00 0.00 63.50 61.87 1ukp n PRO 64 Cb 0.00 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1ukp n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ukp n LYS 65 N 2.27 -1.62 -3.66 -0.52 5.02 -1.26 -4.92 118.16 113.47 1ukp n LYS 65 Ca 0.15 0.87 -0.38 0.00 -2.02 0.00 0.00 58.31 56.93 1ukp n LYS 65 Cb 0.26 -5.31 -0.09 0.00 -0.02 0.00 0.00 35.03 29.88 1ukp n LYS 65 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ukp s GLN 66 N -4.06 2.69 -0.19 1.97 -0.21 -0.58 -5.06 119.66 114.21 1ukp s GLN 66 Ca 0.00 -2.46 -0.09 0.00 0.02 0.00 0.00 55.36 52.83 1ukp s GLN 66 Cb 0.00 -3.83 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 1ukp s GLN 66 CO 0.00 -1.19 0.12 0.71 -2.12 0.00 0.00 175.29 172.82 1ukp s TYR 67 N 0.08 3.42 -0.34 0.91 2.02 -1.26 -4.25 117.35 117.93 1ukp s TYR 67 Ca 0.16 0.33 0.03 0.00 -0.37 0.00 0.00 57.07 57.22 1ukp s TYR 67 Cb -0.19 -2.12 0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1ukp s TYR 67 CO -0.04 0.34 0.05 0.34 -1.57 0.00 0.00 175.55 174.67 1ukp s ASP 68 N 0.16 4.81 0.00 2.29 2.15 -0.93 -4.96 116.67 120.19 1ukp s ASP 68 Ca 0.09 -2.00 0.25 0.00 0.43 0.00 0.00 52.55 51.31 1ukp s ASP 68 Cb -0.11 -1.65 0.48 0.00 -0.30 0.00 0.00 42.92 41.33 1ukp s ASP 68 CO -0.01 -0.38 1.40 0.79 -0.17 0.00 0.00 175.17 176.80 1ukp n TRP 69 N 4.34 0.00 -0.09 -5.34 7.02 -1.26 -4.65 117.44 117.47 1ukp n TRP 69 Ca -0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1ukp n TRP 69 Cb 0.42 -0.05 -0.07 0.00 -2.42 0.00 0.00 31.31 29.19 1ukp n TRP 69 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ukp h ARG 70 N 2.24 -0.41 -0.58 -0.99 3.08 -1.95 0.10 114.38 115.87 1ukp h ARG 70 Ca 0.00 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1ukp h ARG 70 Cb 0.65 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 1ukp h ARG 70 CO 0.00 -0.27 0.32 0.00 -1.07 0.00 0.00 179.97 178.95 1ukp h ALA 71 N 0.13 0.76 -0.27 0.04 0.00 -1.82 -1.64 119.26 116.47 1ukp h ALA 71 Ca 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ukp h ALA 71 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ukp h ALA 71 CO -0.53 -0.00 -0.18 1.88 0.00 0.00 0.00 179.25 180.42 1ukp h TYR 72 N 0.61 0.52 -0.76 0.00 0.05 -1.79 -1.61 116.97 113.99 1ukp h TYR 72 Ca 0.25 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 1ukp h TYR 72 Cb 0.13 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1ukp h TYR 72 CO -0.08 0.63 0.35 0.00 -1.05 0.00 0.00 178.16 178.01 1ukp h ARG 73 N 0.43 1.09 -0.63 4.88 3.08 -0.22 0.13 114.38 123.14 1ukp h ARG 73 Ca 0.07 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1ukp h ARG 73 Cb 0.56 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1ukp h ARG 73 CO 0.04 0.85 0.14 0.77 -1.07 0.00 0.00 179.97 180.69 1ukp h SER 74 N 1.08 0.95 -0.11 7.04 0.02 -0.73 0.24 113.55 122.04 1ukp h SER 74 Ca 0.26 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1ukp h SER 74 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1ukp h SER 74 CO -0.03 0.92 0.01 0.25 -1.14 0.00 0.00 176.83 176.84 1ukp h LEU 75 N 0.96 0.18 -1.43 5.07 5.85 -0.40 -2.36 115.31 123.18 1ukp h LEU 75 Ca 0.20 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1ukp h LEU 75 Cb 0.36 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ukp h LEU 75 CO 0.00 0.42 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.28 1ukp h LEU 76 N -0.06 0.15 -0.64 2.25 4.07 -0.53 -1.68 115.31 118.88 1ukp h LEU 76 Ca 0.03 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1ukp h LEU 76 Cb 0.32 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1ukp h LEU 76 CO 0.00 0.34 0.12 -0.61 -1.08 0.00 0.00 178.44 177.21 1ukp h GLN 77 N 0.15 1.04 -0.40 1.13 5.75 -0.79 -1.95 115.11 120.03 1ukp h GLN 77 Ca 0.03 -0.27 -0.11 0.00 -0.15 0.00 0.00 58.65 58.15 1ukp h GLN 77 Cb 0.40 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1ukp h GLN 77 CO 0.03 0.96 -0.17 1.25 -2.65 0.00 0.00 178.83 178.24 1ukp h LEU 78 N 0.96 0.85 -0.69 -2.39 5.85 -0.87 -1.95 115.31 117.07 1ukp h LEU 78 Ca 0.20 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1ukp h LEU 78 Cb 0.41 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1ukp h LEU 78 CO 0.01 1.05 0.43 0.58 -0.34 0.00 0.00 178.44 180.17 1ukp h VAL 79 N 0.64 1.10 -0.42 1.05 2.07 -1.17 -1.82 116.25 117.70 1ukp h VAL 79 Ca 0.09 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ukp h VAL 79 Cb 0.72 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ukp h VAL 79 CO 0.05 0.15 0.19 -0.61 0.02 0.00 0.00 177.57 177.38 1ukp h GLN 80 N 0.85 0.61 0.00 1.57 4.15 -1.22 -2.26 115.11 118.81 1ukp h GLN 80 Ca 0.27 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1ukp h GLN 80 Cb 0.01 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1ukp h GLN 80 CO -0.10 0.55 -0.09 0.93 -1.93 0.00 0.00 178.83 178.18 1ukp h GLU 81 N 0.53 0.00 -0.00 1.69 5.08 -0.90 -0.51 114.58 120.48 1ukp h GLU 81 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ukp h GLU 81 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ukp h GLU 81 CO -0.02 0.09 -0.05 0.00 -1.00 0.00 0.00 179.01 178.03 1ukp n GLY 83 N 1.41 0.42 3.41 0.00 0.00 -0.20 -4.92 105.19 105.32 1ukp n GLY 83 Ca 0.10 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1ukp n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukp s LEU 84 N -1.12 2.41 0.66 0.99 1.43 -1.06 -4.97 118.68 117.01 1ukp s LEU 84 Ca 0.03 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1ukp s LEU 84 Cb -0.01 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.92 1ukp s LEU 84 CO 0.03 0.21 0.93 0.42 0.23 0.00 0.00 176.35 178.17 1ukp s THR 85 N -1.00 2.40 -0.03 5.49 -4.23 -1.03 -4.35 115.64 112.89 1ukp s THR 85 Ca 0.14 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1ukp s THR 85 Cb -0.10 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1ukp s THR 85 CO 0.06 0.00 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.86 1ukp s LEU 86 N -5.08 1.68 -0.33 4.79 1.98 0.21 -1.06 118.68 120.87 1ukp s LEU 86 Ca 0.60 -0.13 -0.09 0.00 -2.89 0.00 0.00 54.13 51.62 1ukp s LEU 86 Cb -0.10 -0.42 0.01 0.00 0.66 0.00 0.00 46.19 46.34 1ukp s LEU 86 CO 0.43 0.02 0.14 -1.10 -1.89 0.00 0.00 176.35 173.94 1ukp s GLN 87 N 0.36 3.04 -0.22 1.98 -0.21 0.22 -2.00 119.66 122.83 1ukp s GLN 87 Ca -0.05 -0.91 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 1ukp s GLN 87 Cb -0.09 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 1ukp s GLN 87 CO 0.00 -0.53 0.14 0.00 -2.12 0.00 0.00 175.29 172.78 1ukp s ALA 88 N 1.53 3.63 -0.25 6.09 0.00 -1.06 -1.34 121.76 130.37 1ukp s ALA 88 Ca 0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1ukp s ALA 88 Cb -0.18 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1ukp s ALA 88 CO 0.05 -0.01 0.20 0.42 0.00 0.00 0.00 175.76 176.41 1ukp s ILE 89 N 0.70 5.32 -1.02 0.00 1.01 -0.24 -1.12 121.20 125.86 1ukp s ILE 89 Ca 0.07 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.74 1ukp s ILE 89 Cb -0.12 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.87 1ukp s ILE 89 CO 0.01 0.30 1.41 -0.04 0.00 0.00 0.00 174.94 176.62 1ukp s MET 90 N 1.36 3.61 -0.95 2.79 -1.94 -0.07 -0.01 119.30 124.09 1ukp s MET 90 Ca 0.09 -1.25 -0.21 0.00 -1.71 0.00 0.00 55.69 52.61 1ukp s MET 90 Cb -0.15 -5.30 0.09 0.00 2.01 0.00 0.00 34.83 31.49 1ukp s MET 90 CO 0.07 -2.14 1.25 -1.12 -0.01 0.00 0.00 175.02 173.07 1ukp s SER 91 N 4.75 6.54 -0.31 3.03 0.01 -1.10 -1.38 113.70 125.23 1ukp s SER 91 Ca 0.44 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1ukp s SER 91 Cb -0.01 -2.47 0.35 0.00 0.21 0.00 0.00 66.02 64.10 1ukp s SER 91 CO -0.09 -1.28 1.71 0.49 0.41 0.00 0.00 173.24 174.47 1ukp n PHE 92 N 7.63 1.84 -4.36 2.43 3.72 -1.26 -1.23 117.46 126.22 1ukp n PHE 92 Ca 0.25 -1.61 -0.19 0.00 -0.05 0.00 0.00 57.45 55.86 1ukp n PHE 92 Cb 0.50 -0.80 -0.10 0.00 -0.94 0.00 0.00 39.48 38.14 1ukp n PHE 92 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1ukp s HIS 93 N -2.04 1.64 0.21 1.38 -3.43 -1.26 -4.72 115.29 107.07 1ukp s HIS 93 Ca 0.35 -1.22 -0.27 0.00 -0.80 0.00 0.00 55.06 53.12 1ukp s HIS 93 Cb 0.29 -0.96 -0.09 0.00 -1.43 0.00 0.00 32.58 30.39 1ukp s HIS 93 CO 0.04 -0.34 0.86 -1.14 -2.00 0.00 0.00 174.74 172.15 1ukp s GLN 94 N -3.92 4.67 -0.13 -0.38 0.74 -0.35 -4.68 119.66 115.61 1ukp s GLN 94 Ca 0.36 1.30 -0.15 0.00 0.05 0.00 0.00 55.36 56.92 1ukp s GLN 94 Cb 0.07 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.92 1ukp s GLN 94 CO 0.15 0.52 0.34 0.00 -0.55 0.00 0.00 175.29 175.75 1ukp n GLY 96 N 3.15 1.31 0.00 0.00 0.00 -1.24 -1.15 105.19 107.26 1ukp n GLY 96 Ca -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ukp n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukp n GLY 97 N 0.00 1.73 3.94 -0.02 0.00 -1.26 -4.90 105.19 104.68 1ukp n GLY 97 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ukp n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ukp s ASN 98 N -1.96 6.34 0.01 1.61 0.01 -1.26 -4.96 114.94 114.72 1ukp s ASN 98 Ca 0.00 0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 52.22 1ukp s ASN 98 Cb 0.00 -1.99 -0.07 0.00 0.41 0.00 0.00 41.25 39.59 1ukp s ASN 98 CO 0.00 -0.16 1.77 0.54 -1.51 0.00 0.00 177.10 177.74 1ukp s VAL 99 N -2.08 3.22 0.00 1.60 0.11 -1.26 -1.64 120.40 120.34 1ukp s VAL 99 Ca 0.38 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1ukp s VAL 99 Cb -0.10 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1ukp s VAL 99 CO 0.32 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1ukp n GLY 100 N 4.24 0.93 3.69 6.54 0.00 -1.26 -5.07 105.19 114.25 1ukp n GLY 100 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ukp n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukp s ASP 101 N -0.96 6.72 -0.07 1.61 -0.00 -0.65 -4.92 116.67 118.39 1ukp s ASP 101 Ca 0.00 2.30 -0.26 0.00 -0.00 0.00 0.00 52.55 54.59 1ukp s ASP 101 Cb 0.00 -2.56 -0.24 0.00 -0.00 0.00 0.00 42.92 40.11 1ukp s ASP 101 CO 0.00 -0.81 0.97 0.40 -0.00 0.00 0.00 175.17 175.73 1ukp h ILE 102 N 4.89 1.60 -3.59 0.77 2.04 -1.98 -3.43 117.51 117.81 1ukp h ILE 102 Ca -0.40 -2.02 -0.68 0.00 1.00 0.00 0.00 64.86 62.75 1ukp h ILE 102 Cb 1.19 2.92 -0.18 0.00 -0.74 0.00 0.00 36.82 40.00 1ukp h ILE 102 CO 0.92 0.54 -0.25 -0.69 0.00 0.00 0.00 178.15 178.67 1ukp s VAL 103 N -2.93 5.13 -0.23 1.67 1.01 -1.26 -5.04 120.40 118.75 1ukp s VAL 103 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1ukp s VAL 103 Cb -0.00 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1ukp s VAL 103 CO 0.73 -0.28 -0.12 0.20 0.00 0.00 0.00 175.10 175.63 1ukp s ASN 104 N 1.77 3.96 -0.35 3.32 0.01 -1.26 -3.65 114.94 118.74 1ukp s ASN 104 Ca 0.11 -0.89 0.01 0.00 -0.71 0.00 0.00 52.86 51.38 1ukp s ASN 104 Cb -0.17 -1.58 0.11 0.00 0.41 0.00 0.00 41.25 40.01 1ukp s ASN 104 CO 0.13 -0.10 0.12 -0.63 -1.51 0.00 0.00 177.10 175.11 1ukp s ILE 105 N 1.27 1.43 0.79 0.60 1.01 -0.30 -4.95 121.20 121.05 1ukp s ILE 105 Ca 0.00 -1.96 -0.11 0.00 0.00 0.00 0.00 60.65 58.57 1ukp s ILE 105 Cb -0.16 -2.05 0.07 0.00 0.01 0.00 0.00 42.46 40.32 1ukp s ILE 105 CO -0.07 -0.70 1.09 -2.16 0.00 0.00 0.00 174.94 173.09 1ukp s PRO 106 N 1.09 2.14 0.98 2.79 0.04 -1.26 -0.15 135.00 140.63 1ukp s PRO 106 Ca 0.12 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 1ukp s PRO 106 Cb -0.20 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.61 1ukp s PRO 106 CO -0.15 -1.62 1.08 0.96 0.04 0.00 0.00 177.00 177.32 1ukp s ILE 107 N -3.08 2.36 0.17 0.56 -4.36 -1.26 -4.17 121.20 111.42 1ukp s ILE 107 Ca 0.61 0.12 -0.30 0.00 -0.26 0.00 0.00 60.65 60.81 1ukp s ILE 107 Cb -0.15 -2.43 -0.17 0.00 1.25 0.00 0.00 42.46 40.95 1ukp s ILE 107 CO 0.55 -0.15 0.70 -2.65 0.24 0.00 0.00 174.94 173.63 1ukp n PRO 108 N -4.22 0.20 -0.07 0.37 -0.02 -1.26 -4.79 135.00 125.21 1ukp n PRO 108 Ca 0.06 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1ukp n PRO 108 Cb 0.55 -1.22 0.26 0.00 -0.02 0.00 0.00 33.50 33.07 1ukp n PRO 108 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ukp h GLN 109 N 1.57 0.68 0.00 -0.52 5.75 -1.89 -1.91 115.11 118.79 1ukp h GLN 109 Ca -0.34 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1ukp h GLN 109 Cb 1.42 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.86 1ukp h GLN 109 CO 0.59 0.62 -0.08 0.11 -2.65 0.00 0.00 178.83 177.43 1ukp h TRP 110 N 0.66 0.00 0.20 3.99 5.08 -1.89 0.14 115.95 124.13 1ukp h TRP 110 Ca 0.15 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.85 1ukp h TRP 110 Cb 0.26 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.45 1ukp h TRP 110 CO 0.01 0.08 -1.17 0.28 -1.28 0.00 0.00 178.44 176.36 1ukp h VAL 111 N 0.00 1.39 -0.22 0.12 2.07 -1.71 -3.09 116.25 114.81 1ukp h VAL 111 Ca -0.00 -2.62 -0.03 0.00 0.82 0.00 0.00 66.70 64.88 1ukp h VAL 111 Cb 0.28 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1ukp h VAL 111 CO 0.01 0.77 0.02 -0.07 0.02 0.00 0.00 177.57 178.32 1ukp h LEU 112 N -0.08 0.28 -0.71 2.57 3.38 -0.85 -0.78 115.31 119.12 1ukp h LEU 112 Ca -0.20 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1ukp h LEU 112 Cb 1.93 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 1ukp h LEU 112 CO 0.22 0.32 0.18 0.44 0.09 0.00 0.00 178.44 179.69 1ukp h ASP 113 N 0.31 1.07 -0.69 -0.43 3.32 -0.78 -1.33 116.42 117.89 1ukp h ASP 113 Ca 0.07 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 1ukp h ASP 113 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1ukp h ASP 113 CO 0.00 1.02 0.19 0.40 -1.72 0.00 0.00 179.24 179.13 1ukp h ILE 114 N 1.07 1.26 -0.22 0.35 2.04 -1.20 -2.13 117.51 118.67 1ukp h ILE 114 Ca 0.22 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1ukp h ILE 114 Cb 0.36 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1ukp h ILE 114 CO 0.00 0.36 0.15 1.23 0.00 0.00 0.00 178.15 179.89 1ukp h GLY 115 N 1.09 0.23 1.49 5.37 0.00 -0.28 0.08 103.07 111.04 1ukp h GLY 115 Ca 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1ukp h GLY 115 CO -0.00 0.08 0.21 0.83 0.00 0.00 0.00 176.54 177.65 1ukp h GLU 116 N 0.21 0.67 -0.01 4.80 4.39 -0.57 -2.44 114.58 121.63 1ukp h GLU 116 Ca 0.09 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ukp h GLU 116 Cb 0.09 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1ukp h GLU 116 CO -0.02 0.54 -0.50 0.43 -1.16 0.00 0.00 179.01 178.30 1ukp n SER 117 N -4.37 1.83 -3.30 1.42 7.64 -0.59 -4.66 113.62 111.59 1ukp n SER 117 Ca 0.04 -1.40 -0.19 0.00 1.01 0.00 0.00 58.87 58.33 1ukp n SER 117 Cb 0.14 0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 1ukp n SER 117 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ukp s ASN 118 N -2.53 1.04 0.35 6.43 3.04 -0.09 -4.99 114.94 118.18 1ukp s ASN 118 Ca 0.18 -2.05 0.26 0.00 0.04 0.00 0.00 52.86 51.29 1ukp s ASN 118 Cb 0.18 0.40 1.22 0.00 -1.54 0.00 0.00 41.25 41.51 1ukp s ASN 118 CO 0.60 -0.21 1.79 0.45 -3.04 0.00 0.00 177.10 176.68 1ukp h HIS 119 N 6.40 0.00 -0.07 0.43 3.86 -1.75 -3.08 115.15 120.94 1ukp h HIS 119 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ukp h HIS 119 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1ukp h HIS 119 CO 0.29 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.83 1ukp n ASP 120 N -2.43 0.39 0.02 2.45 8.00 -1.26 -3.06 116.55 120.66 1ukp n ASP 120 Ca 0.00 -2.00 0.13 0.00 0.71 0.00 0.00 54.79 53.63 1ukp n ASP 120 Cb 0.16 -0.05 0.39 0.00 -0.02 0.00 0.00 41.12 41.60 1ukp n ASP 120 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ukp n ILE 121 N -0.29 0.11 -3.97 0.53 -5.35 -1.16 -4.68 119.36 104.54 1ukp n ILE 121 Ca 0.02 -0.07 -0.28 0.00 -0.27 0.00 0.00 62.75 62.15 1ukp n ILE 121 Cb 0.06 -0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 37.76 1ukp n ILE 121 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ukp s PHE 122 N -3.03 3.42 0.32 4.28 0.08 -1.17 -1.18 117.98 120.70 1ukp s PHE 122 Ca 0.11 0.14 -0.29 0.00 0.12 0.00 0.00 56.93 57.02 1ukp s PHE 122 Cb 0.17 -1.67 -0.11 0.00 -0.57 0.00 0.00 43.02 40.84 1ukp s PHE 122 CO 0.63 0.54 1.45 0.71 -0.10 0.00 0.00 175.22 178.45 1ukp s TYR 123 N -1.61 2.82 -0.02 0.36 2.02 -1.24 -4.68 117.35 115.00 1ukp s TYR 123 Ca 0.34 1.14 0.03 0.00 -0.37 0.00 0.00 57.07 58.20 1ukp s TYR 123 Cb -0.12 -3.90 -0.00 0.00 -0.40 0.00 0.00 41.96 37.54 1ukp s TYR 123 CO 0.27 -2.74 -0.11 0.99 -1.57 0.00 0.00 175.55 172.39 1ukp s THR 124 N -0.70 0.89 0.63 -0.71 2.01 -1.26 -1.28 115.64 115.23 1ukp s THR 124 Ca 0.55 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 1ukp s THR 124 Cb -0.44 -0.78 0.07 0.00 0.01 0.00 0.00 72.50 71.37 1ukp s THR 124 CO 0.54 0.27 0.88 0.54 -0.69 0.00 0.00 174.62 176.15 1ukp s ASN 125 N 0.07 4.89 0.32 3.53 4.22 -1.09 -1.78 114.94 125.09 1ukp s ASN 125 Ca -0.01 -0.11 0.02 0.00 -2.14 0.00 0.00 52.86 50.62 1ukp s ASN 125 Cb -0.08 -0.56 0.60 0.00 1.28 0.00 0.00 41.25 42.49 1ukp s ASN 125 CO 0.00 -1.45 1.93 -0.09 -2.04 0.00 0.00 177.10 175.45 1ukp h ARG 126 N -0.21 0.91 0.00 3.55 2.43 -1.93 -0.46 114.38 118.67 1ukp h ARG 126 Ca -0.40 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ukp h ARG 126 Cb 1.29 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1ukp h ARG 126 CO 0.48 0.60 0.00 0.43 -1.51 0.00 0.00 179.97 179.97 1ukp n SER 127 N -4.48 0.00 0.00 -3.80 7.64 -1.26 -4.87 113.62 106.85 1ukp n SER 127 Ca 0.12 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1ukp n SER 127 Cb 0.20 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1ukp n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukp n GLY 128 N 0.03 0.66 3.74 0.23 0.00 -0.18 -5.05 105.19 104.61 1ukp n GLY 128 Ca 0.07 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1ukp n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukp s THR 129 N -2.00 4.75 -0.15 2.61 2.01 -1.26 -4.87 115.64 116.73 1ukp s THR 129 Ca 0.00 1.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.60 1ukp s THR 129 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1ukp s THR 129 CO 0.00 0.32 0.25 -0.13 -0.69 0.00 0.00 174.62 174.37 1ukp s ARG 130 N 0.16 4.11 -0.32 4.92 1.81 -1.26 -2.67 118.95 125.70 1ukp s ARG 130 Ca 0.41 0.03 -0.13 0.00 -1.72 0.00 0.00 55.73 54.31 1ukp s ARG 130 Cb -0.21 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 30.89 1ukp s ARG 130 CO 0.24 0.36 0.29 1.21 -0.68 0.00 0.00 175.30 176.71 1ukp s ASN 131 N 0.13 6.12 -0.08 0.23 3.84 -0.40 -4.97 114.94 119.81 1ukp s ASN 131 Ca 0.15 -0.18 0.12 0.00 0.21 0.00 0.00 52.86 53.17 1ukp s ASN 131 Cb -0.13 -2.16 0.49 0.00 -0.55 0.00 0.00 41.25 38.90 1ukp s ASN 131 CO 0.03 -0.22 1.35 0.29 -2.79 0.00 0.00 177.10 175.76 1ukp n LYS 132 N 5.22 2.87 0.09 0.43 5.02 -1.26 -3.60 118.16 126.92 1ukp n LYS 132 Ca -0.11 -1.93 0.13 0.00 -2.02 0.00 0.00 58.31 54.37 1ukp n LYS 132 Cb 0.50 -1.70 0.31 0.00 -0.02 0.00 0.00 35.03 34.13 1ukp n LYS 132 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ukp n GLU 133 N 0.68 0.27 -3.46 1.97 0.28 -1.26 -4.72 120.64 114.40 1ukp n GLU 133 Ca 0.17 0.16 -0.13 0.00 -0.16 0.00 0.00 57.16 57.21 1ukp n GLU 133 Cb 0.65 -1.75 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 1ukp n GLU 133 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1ukp s TYR 134 N -3.13 -0.54 -0.03 -1.84 5.04 -1.26 -1.21 117.35 114.38 1ukp s TYR 134 Ca 0.09 0.52 -0.26 0.00 -2.44 0.00 0.00 57.07 54.98 1ukp s TYR 134 Cb 0.13 0.52 -0.04 0.00 0.35 0.00 0.00 41.96 42.92 1ukp s TYR 134 CO 0.65 -0.74 0.81 -0.51 -1.34 0.00 0.00 175.55 174.41 1ukp s LEU 135 N -2.28 4.35 0.54 6.97 1.43 -1.26 -4.19 118.68 124.24 1ukp s LEU 135 Ca -0.02 1.38 -0.21 0.00 -1.03 0.00 0.00 54.13 54.26 1ukp s LEU 135 Cb -0.01 -3.27 -0.06 0.00 0.03 0.00 0.00 46.19 42.88 1ukp s LEU 135 CO -0.06 -0.16 1.11 1.07 0.23 0.00 0.00 176.35 178.53 1ukp n THR 136 N 3.76 3.47 0.27 5.49 5.66 -0.32 -4.83 114.28 127.76 1ukp n THR 136 Ca 0.01 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.66 1ukp n THR 136 Cb 0.51 -1.32 0.72 0.00 -1.55 0.00 0.00 70.33 68.69 1ukp n THR 136 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1ukp h VAL 137 N 1.03 0.00 0.00 1.08 3.04 -1.95 -2.22 116.25 117.23 1ukp h VAL 137 Ca -0.48 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 1ukp h VAL 137 Cb 1.34 0.81 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1ukp h VAL 137 CO 0.54 0.00 -0.03 1.23 -1.01 0.00 0.00 177.57 178.31 1ukp h GLY 138 N 0.72 0.00 -1.73 3.17 0.00 -1.94 -2.60 103.07 100.68 1ukp h GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ukp h GLY 138 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 1ukp n VAL 139 N -3.20 1.79 -0.26 4.60 0.24 -0.83 -4.66 118.33 116.01 1ukp n VAL 139 Ca -0.01 -1.47 0.04 0.00 -2.04 0.00 0.00 64.34 60.86 1ukp n VAL 139 Cb 0.20 0.06 0.18 0.00 -1.47 0.00 0.00 33.84 32.81 1ukp n VAL 139 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ukp h ASP 140 N 2.23 0.36 -0.30 -1.34 5.19 -1.59 -2.60 116.42 118.36 1ukp h ASP 140 Ca 0.00 0.09 -0.17 0.00 -0.62 0.00 0.00 57.03 56.33 1ukp h ASP 140 Cb 1.21 0.05 -0.11 0.00 0.18 0.00 0.00 39.33 40.66 1ukp h ASP 140 CO 0.15 0.16 -0.25 0.59 -3.12 0.00 0.00 179.24 176.78 1ukp n ASN 141 N -4.95 2.57 -4.46 6.45 5.03 -1.26 -1.77 115.26 116.88 1ukp n ASN 141 Ca 0.14 -3.83 -0.37 0.00 0.87 0.00 0.00 54.58 51.39 1ukp n ASN 141 Cb 0.38 -0.59 -0.12 0.00 -1.02 0.00 0.00 39.78 38.43 1ukp n ASN 141 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1ukp s GLU 142 N -3.30 3.61 -1.22 3.52 0.41 -0.99 -4.97 118.70 115.76 1ukp s GLU 142 Ca 0.44 -0.52 -0.09 0.00 -0.41 0.00 0.00 54.97 54.40 1ukp s GLU 142 Cb 0.40 -3.41 -0.12 0.00 -1.78 0.00 0.00 34.13 29.22 1ukp s GLU 142 CO -0.02 -0.24 2.94 -0.35 -0.49 0.00 0.00 175.26 177.10 1ukp n PRO 143 N 4.95 3.13 -0.19 0.39 -0.04 -1.26 -3.97 135.00 138.01 1ukp n PRO 143 Ca -0.15 -1.85 0.08 0.00 -0.04 0.00 0.00 63.50 61.54 1ukp n PRO 143 Cb 0.51 -2.59 0.19 0.00 -0.04 0.00 0.00 33.50 31.56 1ukp n PRO 143 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ukp n ILE 144 N 3.46 0.71 -3.51 0.52 -5.35 -1.18 -4.06 119.36 109.95 1ukp n ILE 144 Ca 0.67 -0.85 -0.38 0.00 -0.27 0.00 0.00 62.75 61.92 1ukp n ILE 144 Cb 0.34 0.75 -0.05 0.00 -1.74 0.00 0.00 39.64 38.94 1ukp n ILE 144 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1ukp n PHE 145 N 1.02 4.23 -4.01 4.28 3.72 -0.44 -4.67 117.46 121.59 1ukp n PHE 145 Ca 0.15 -3.95 -0.30 0.00 -0.05 0.00 0.00 57.45 53.30 1ukp n PHE 145 Cb 0.49 -1.23 -0.00 0.00 -0.94 0.00 0.00 39.48 37.80 1ukp n PHE 145 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1ukp n HIS 146 N 2.19 -1.88 0.00 1.38 8.25 -1.26 -1.32 115.22 122.58 1ukp n HIS 146 Ca 0.23 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1ukp n HIS 146 Cb 0.37 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 27.87 1ukp n HIS 146 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukp n GLY 147 N -1.67 3.16 3.93 -1.41 0.00 -1.26 -5.06 105.19 102.88 1ukp n GLY 147 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1ukp n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ukp s ARG 148 N -0.35 3.52 0.58 1.61 0.52 -0.43 -4.73 118.95 119.66 1ukp s ARG 148 Ca 0.00 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1ukp s ARG 148 Cb 0.00 -2.85 0.03 0.00 0.52 0.00 0.00 34.95 32.65 1ukp s ARG 148 CO 0.00 0.41 0.84 0.95 0.02 0.00 0.00 175.30 177.52 1ukp s THR 149 N -1.85 2.97 0.19 0.02 -4.23 -1.25 -1.33 115.64 110.15 1ukp s THR 149 Ca 0.38 -0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 1ukp s THR 149 Cb -0.11 -3.16 0.11 0.00 1.34 0.00 0.00 72.50 70.68 1ukp s THR 149 CO 0.29 -0.14 1.77 0.00 -0.54 0.00 0.00 174.62 175.99 1ukp h ALA 150 N -0.09 0.88 -0.34 3.99 0.00 -1.43 -1.95 119.26 120.32 1ukp h ALA 150 Ca -0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1ukp h ALA 150 Cb 1.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ukp h ALA 150 CO 0.57 0.46 0.07 0.82 0.00 0.00 0.00 179.25 181.18 1ukp h ILE 151 N 0.95 1.17 -0.54 0.00 2.04 -1.61 -1.22 117.51 118.30 1ukp h ILE 151 Ca 0.23 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1ukp h ILE 151 Cb 0.15 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1ukp h ILE 151 CO -0.03 0.21 -0.07 -0.33 0.00 0.00 0.00 178.15 177.94 1ukp h GLU 152 N 0.49 0.98 -0.02 2.37 5.08 -1.67 -0.34 114.58 121.46 1ukp h GLU 152 Ca 0.12 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1ukp h GLU 152 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ukp h GLU 152 CO -0.00 1.00 -0.08 0.82 -1.00 0.00 0.00 179.01 179.75 1ukp h ILE 153 N 0.88 0.79 -0.52 3.13 2.04 -0.53 0.13 117.51 123.43 1ukp h ILE 153 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1ukp h ILE 153 Cb 0.61 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1ukp h ILE 153 CO 0.04 0.00 0.20 1.88 0.00 0.00 0.00 178.15 180.27 1ukp h TYR 154 N -0.13 0.75 -0.21 1.37 0.05 -1.07 -1.82 116.97 115.92 1ukp h TYR 154 Ca 0.04 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1ukp h TYR 154 Cb 0.18 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 1ukp h TYR 154 CO -0.16 0.59 -0.16 1.03 -1.05 0.00 0.00 178.16 178.42 1ukp h SER 155 N 0.74 0.49 -0.48 3.88 0.87 -0.49 -2.37 113.55 116.19 1ukp h SER 155 Ca 0.18 -0.45 -0.06 0.00 -1.23 0.00 0.00 61.79 60.22 1ukp h SER 155 Cb 0.16 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1ukp h SER 155 CO -0.02 0.84 0.07 0.44 -0.53 0.00 0.00 176.83 177.64 1ukp h ASP 156 N 0.15 0.82 0.17 6.23 3.32 -0.60 -1.83 116.42 124.69 1ukp h ASP 156 Ca 0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ukp h ASP 156 Cb 0.68 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1ukp h ASP 156 CO 0.04 0.84 -0.09 0.22 -1.72 0.00 0.00 179.24 178.53 1ukp h TYR 157 N 0.82 -0.24 -0.45 4.55 3.20 -1.30 -0.50 116.97 123.06 1ukp h TYR 157 Ca 0.17 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ukp h TYR 157 Cb 0.38 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1ukp h TYR 157 CO 0.02 -0.15 0.09 0.52 -1.64 0.00 0.00 178.16 177.01 1ukp h MET 158 N -0.25 0.68 -0.39 1.82 2.86 -1.27 -0.97 114.93 117.41 1ukp h MET 158 Ca -0.02 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 1ukp h MET 158 Cb 0.20 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1ukp h MET 158 CO 0.03 0.63 -0.25 0.87 1.06 0.00 0.00 176.91 179.25 1ukp h LYS 159 N 0.65 0.86 -0.56 1.72 1.57 -1.10 -0.93 116.57 118.79 1ukp h LYS 159 Ca 0.15 -0.40 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1ukp h LYS 159 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1ukp h LYS 159 CO 0.00 1.04 0.08 1.03 -0.57 0.00 0.00 179.45 181.04 1ukp h SER 160 N 0.66 0.84 -0.19 0.86 0.87 -0.76 -1.65 113.55 114.18 1ukp h SER 160 Ca 0.08 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1ukp h SER 160 Cb 0.82 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1ukp h SER 160 CO 0.07 0.86 0.11 0.15 -0.53 0.00 0.00 176.83 177.48 1ukp h PHE 161 N 0.84 0.26 -0.84 2.24 3.57 -0.96 0.04 116.94 122.10 1ukp h PHE 161 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1ukp h PHE 161 Cb 0.38 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1ukp h PHE 161 CO 0.02 0.22 0.55 -0.09 -2.23 0.00 0.00 178.31 176.79 1ukp h ARG 162 N 0.21 1.10 -0.17 1.11 1.12 -0.81 0.66 114.38 117.61 1ukp h ARG 162 Ca 0.07 -0.07 -0.06 0.00 -1.11 0.00 0.00 59.98 58.80 1ukp h ARG 162 Cb 0.05 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 29.76 1ukp h ARG 162 CO -0.01 0.74 -0.15 0.93 -3.11 0.00 0.00 179.97 178.37 1ukp h GLU 163 N 1.13 0.40 0.00 0.20 5.08 -1.10 -2.09 114.58 118.20 1ukp h GLU 163 Ca 0.31 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ukp h GLU 163 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ukp h GLU 163 CO -0.06 0.75 0.00 -0.91 -1.00 0.00 0.00 179.01 177.79 1ukp h ASN 164 N 0.05 0.00 -0.21 1.42 2.35 -0.79 -2.99 115.58 115.41 1ukp h ASN 164 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1ukp h ASN 164 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1ukp h ASN 164 CO 0.04 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.05 1ukp n MET 165 N -2.65 2.62 -0.31 0.81 2.81 0.21 -4.75 117.12 115.85 1ukp n MET 165 Ca 0.03 -2.79 0.14 0.00 -1.81 0.00 0.00 57.70 53.28 1ukp n MET 165 Cb 0.39 -1.78 0.38 0.00 -0.71 0.00 0.00 33.22 31.50 1ukp n MET 165 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ukp h SER 166 N 1.47 0.67 -0.30 7.83 4.64 -1.22 -1.00 113.55 125.65 1ukp h SER 166 Ca 0.00 0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.22 1ukp h SER 166 Cb 1.36 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ukp h SER 166 CO 0.18 0.27 -0.47 -2.24 -0.87 0.00 0.00 176.83 173.70 1ukp h ASP 167 N 0.67 0.95 -0.16 4.97 2.03 -1.86 -0.93 116.42 122.09 1ukp h ASP 167 Ca 0.52 -0.47 -0.11 0.00 -0.73 0.00 0.00 57.03 56.24 1ukp h ASP 167 Cb 0.93 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 1ukp h ASP 167 CO -0.28 1.27 -0.27 -0.26 -1.03 0.00 0.00 179.24 178.66 1ukp h PHE 168 N 0.69 0.72 -0.13 4.15 0.04 -1.63 -0.30 116.94 120.49 1ukp h PHE 168 Ca 0.04 -0.17 -0.13 0.00 2.80 0.00 0.00 57.97 60.50 1ukp h PHE 168 Cb 1.07 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1ukp h PHE 168 CO 0.07 0.84 -0.50 -0.07 -0.60 0.00 0.00 178.31 178.04 1ukp h LEU 169 N 0.55 0.37 -0.03 1.54 3.38 -1.17 -1.57 115.31 118.38 1ukp h LEU 169 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ukp h LEU 169 Cb 0.75 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ukp h LEU 169 CO 0.06 0.81 0.01 -0.08 0.09 0.00 0.00 178.44 179.33 1ukp h GLU 170 N 0.27 0.05 0.00 1.13 4.22 -0.66 -2.83 114.58 116.76 1ukp h GLU 170 Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ukp h GLU 170 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ukp h GLU 170 CO 0.08 0.27 0.00 -1.13 -2.18 0.00 0.00 179.01 176.05 1ukp n SER 171 N -4.94 0.00 -0.11 1.04 3.41 -0.17 -4.87 113.62 107.98 1ukp n SER 171 Ca -0.07 0.16 -0.01 0.00 -0.26 0.00 0.00 58.87 58.68 1ukp n SER 171 Cb 0.14 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.77 1ukp n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ukp n GLY 172 N -0.18 0.50 0.17 5.00 0.00 -1.06 -4.95 105.19 104.66 1ukp n GLY 172 Ca 0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1ukp n GLY 172 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ukp h LEU 173 N 0.00 0.53 -8.98 0.99 5.85 -1.54 -3.42 115.31 108.74 1ukp h LEU 173 Ca -0.03 -0.40 -0.61 0.00 0.84 0.00 0.00 57.88 57.68 1ukp h LEU 173 Cb 0.10 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 40.87 1ukp h LEU 173 CO 0.04 0.81 0.20 -0.63 -0.34 0.00 0.00 178.44 178.53 1ukp s ILE 174 N -4.61 4.96 -0.69 4.05 1.01 -1.25 -0.62 121.20 124.04 1ukp s ILE 174 Ca -0.13 1.14 0.22 0.00 0.00 0.00 0.00 60.65 61.88 1ukp s ILE 174 Cb 0.07 -3.97 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 1ukp s ILE 174 CO 0.77 -0.01 0.86 2.30 0.00 0.00 0.00 174.94 178.86 1ukp n ILE 175 N 5.24 0.04 -3.59 2.92 -5.35 -0.85 -4.63 119.36 113.14 1ukp n ILE 175 Ca 0.00 -0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 1ukp n ILE 175 Cb 0.49 0.56 -0.05 0.00 -1.74 0.00 0.00 39.64 38.89 1ukp n ILE 175 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1ukp s ASP 176 N -3.56 -0.33 -0.25 7.28 1.47 -1.26 -1.76 116.67 118.26 1ukp s ASP 176 Ca 0.03 0.39 -0.05 0.00 1.18 0.00 0.00 52.55 54.11 1ukp s ASP 176 Cb 0.15 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 43.05 1ukp s ASP 176 CO 0.86 -0.29 -0.00 -0.63 0.68 0.00 0.00 175.17 175.79 1ukp s ILE 177 N -0.97 3.53 -0.31 2.11 -1.09 0.46 -2.55 121.20 122.38 1ukp s ILE 177 Ca -0.00 -0.62 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 1ukp s ILE 177 Cb -0.01 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 1ukp s ILE 177 CO -0.00 0.27 0.37 -0.70 -1.23 0.00 0.00 174.94 173.65 1ukp s GLU 178 N 1.47 3.77 -0.23 2.79 2.12 -0.28 -1.16 118.70 127.18 1ukp s GLU 178 Ca 0.04 -0.20 -0.25 0.00 0.36 0.00 0.00 54.97 54.92 1ukp s GLU 178 Cb -0.16 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1ukp s GLU 178 CO -0.01 -0.42 0.83 0.08 -0.54 0.00 0.00 175.26 175.20 1ukp s VAL 179 N 2.06 4.84 0.26 3.70 1.01 0.51 -0.89 120.40 131.89 1ukp s VAL 179 Ca 0.13 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1ukp s VAL 179 Cb -0.16 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1ukp s VAL 179 CO 0.11 -0.07 1.24 -0.83 0.00 0.00 0.00 175.10 175.56 1ukp s GLY 180 N 1.32 2.82 -0.04 4.51 0.00 -0.48 -4.48 107.32 110.97 1ukp s GLY 180 Ca 0.35 1.09 0.06 0.00 0.00 0.00 0.00 44.72 46.23 1ukp s GLY 180 CO 0.08 1.85 0.98 1.04 0.00 0.00 0.00 173.10 177.05 1ukp n LEU 181 N 1.63 1.00 0.00 0.66 4.77 -0.70 -4.75 117.00 119.60 1ukp n LEU 181 Ca 0.02 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 1ukp n LEU 181 Cb 0.43 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1ukp n LEU 181 CO 0.57 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1ukp n GLY 182 N -0.53 -0.56 3.63 -0.72 0.00 -0.99 -4.41 105.19 101.60 1ukp n GLY 182 Ca 0.05 -1.03 -0.47 0.00 0.00 0.00 0.00 46.02 44.57 1ukp n GLY 182 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ukp n PRO 183 N 0.00 1.64 -1.88 1.61 -0.02 -1.25 -0.31 135.00 134.78 1ukp n PRO 183 Ca 0.00 0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 1ukp n PRO 183 Cb 0.00 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 1ukp n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ukp n ALA 184 N 2.06 -0.43 -0.56 3.55 0.00 -1.26 -1.51 120.51 122.35 1ukp n ALA 184 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1ukp n ALA 184 Cb 0.27 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1ukp n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 185 N -0.59 1.30 3.84 0.00 0.00 0.57 -5.00 105.19 105.32 1ukp n GLY 185 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1ukp n GLY 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukp s GLU 186 N -0.16 4.06 -0.86 1.61 2.02 -0.57 -1.72 118.70 123.08 1ukp s GLU 186 Ca 0.00 0.68 -0.25 0.00 0.02 0.00 0.00 54.97 55.41 1ukp s GLU 186 Cb 0.00 -2.65 0.04 0.00 0.10 0.00 0.00 34.13 31.62 1ukp s GLU 186 CO 0.00 0.28 1.34 -1.17 0.02 0.00 0.00 175.26 175.74 1ukp s LEU 187 N -2.53 3.34 -0.04 1.80 2.96 -0.42 -2.36 118.68 121.44 1ukp s LEU 187 Ca 0.48 -0.89 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 1ukp s LEU 187 Cb -0.13 -2.56 0.11 0.00 0.50 0.00 0.00 46.19 44.11 1ukp s LEU 187 CO 0.19 -1.69 1.32 0.00 -1.32 0.00 0.00 176.35 174.85 1ukp s ARG 188 N 5.37 0.30 0.22 1.98 1.70 -1.26 -4.58 118.95 122.68 1ukp s ARG 188 Ca 0.39 -0.18 -0.05 0.00 -0.47 0.00 0.00 55.73 55.42 1ukp s ARG 188 Cb -0.05 0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1ukp s ARG 188 CO 0.04 -0.14 0.48 0.71 -1.08 0.00 0.00 175.30 175.31 1ukp s TYR 189 N -2.15 3.47 -1.49 5.89 2.02 -0.18 -4.43 117.35 120.48 1ukp s TYR 189 Ca 0.22 0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 57.40 1ukp s TYR 189 Cb 0.03 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1ukp s TYR 189 CO -0.03 0.29 2.42 -0.35 -1.57 0.00 0.00 175.55 176.31 1ukp n PRO 190 N -0.49 3.20 0.02 -1.71 -0.04 -1.26 -4.69 135.00 130.03 1ukp n PRO 190 Ca -0.02 -2.58 0.13 0.00 -0.04 0.00 0.00 63.50 60.99 1ukp n PRO 190 Cb 0.53 -3.11 0.55 0.00 -0.04 0.00 0.00 33.50 31.43 1ukp n PRO 190 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ukp n SER 191 N 5.10 0.14 -3.19 3.54 3.41 -1.26 -4.27 113.62 117.10 1ukp n SER 191 Ca 0.59 0.52 -0.22 0.00 -0.26 0.00 0.00 58.87 59.49 1ukp n SER 191 Cb 0.34 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 1ukp n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukp n TYR 192 N -1.63 0.81 -2.37 7.33 4.11 -1.26 -1.51 117.16 122.64 1ukp n TYR 192 Ca 0.06 -3.78 -0.43 0.00 -0.00 0.00 0.00 57.90 53.75 1ukp n TYR 192 Cb 0.33 -0.42 -0.02 0.00 -0.00 0.00 0.00 39.34 39.23 1ukp n TYR 192 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1ukp s PRO 193 N -2.10 4.25 0.25 -3.48 0.04 -1.26 -4.89 135.00 127.81 1ukp s PRO 193 Ca 0.39 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1ukp s PRO 193 Cb 0.25 -3.74 0.31 0.00 0.04 0.00 0.00 34.50 31.36 1ukp s PRO 193 CO -0.09 -0.67 1.72 0.37 0.04 0.00 0.00 177.00 178.37 1ukp h GLN 194 N 8.21 0.74 0.00 4.56 4.15 -1.95 -2.25 115.11 128.58 1ukp h GLN 194 Ca -0.30 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 1ukp h GLN 194 Cb 1.13 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 1ukp h GLN 194 CO 0.95 0.81 -0.01 0.66 -1.93 0.00 0.00 178.83 179.31 1ukp h SER 195 N 0.68 0.00 -0.59 -0.69 4.64 -1.92 -1.40 113.55 114.27 1ukp h SER 195 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ukp h SER 195 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ukp h SER 195 CO 0.03 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1ukp n GLN 196 N -4.13 3.44 -0.06 4.77 6.02 -1.01 -4.93 117.38 121.49 1ukp n GLN 196 Ca -0.03 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 1ukp n GLN 196 Cb 0.09 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1ukp n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ukp n GLY 197 N 1.08 0.54 3.67 1.08 0.00 -0.53 -5.04 105.19 105.99 1ukp n GLY 197 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1ukp n GLY 197 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ukp n TRP 198 N -2.00 1.62 -3.78 1.61 -0.00 -0.88 -4.90 117.44 109.10 1ukp n TRP 198 Ca 0.00 0.48 -0.13 0.00 -0.00 0.00 0.00 57.50 57.85 1ukp n TRP 198 Cb 0.00 -2.28 -0.14 0.00 -0.00 0.00 0.00 31.31 28.90 1ukp n TRP 198 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1ukp s GLU 199 N -2.45 0.13 0.31 5.87 2.02 -1.26 -4.57 118.70 118.75 1ukp s GLU 199 Ca 0.67 0.29 -0.29 0.00 0.02 0.00 0.00 54.97 55.66 1ukp s GLU 199 Cb -0.48 -0.05 -0.12 0.00 0.10 0.00 0.00 34.13 33.58 1ukp s GLU 199 CO 0.53 -0.10 1.44 0.34 0.02 0.00 0.00 175.26 177.50 1ukp n PHE 200 N 3.63 2.57 -2.02 1.61 7.35 -1.26 -0.06 117.46 129.29 1ukp n PHE 200 Ca -0.20 0.42 -0.37 0.00 -0.76 0.00 0.00 57.45 56.55 1ukp n PHE 200 Cb 0.55 -2.50 0.03 0.00 0.35 0.00 0.00 39.48 37.91 1ukp n PHE 200 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ukp n PRO 201 N 1.28 2.90 -1.65 -7.13 -0.04 -1.26 -5.14 135.00 123.96 1ukp n PRO 201 Ca 0.06 -3.73 -0.40 0.00 -0.04 0.00 0.00 63.50 59.40 1ukp n PRO 201 Cb 0.36 -2.27 0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1ukp n PRO 201 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ukp n GLY 202 N -0.54 0.07 0.27 0.55 0.00 0.92 -4.87 105.19 101.59 1ukp n GLY 202 Ca 0.51 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.74 1ukp n GLY 202 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ukp h ILE 203 N 1.28 0.00 0.00 -0.61 3.07 -1.14 -3.47 117.51 116.64 1ukp h ILE 203 Ca -0.48 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.56 1ukp h ILE 203 Cb 1.33 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 1ukp h ILE 203 CO 0.55 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.26 1ukp n GLY 204 N -0.20 -2.51 3.11 0.16 0.00 -0.48 -3.95 105.19 101.32 1ukp n GLY 204 Ca 0.00 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 1ukp n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ukp s GLU 205 N -0.75 0.69 0.37 1.61 2.02 -0.57 -4.13 118.70 117.94 1ukp s GLU 205 Ca 0.00 -0.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.90 1ukp s GLU 205 Cb 0.00 -0.59 -0.09 0.00 0.10 0.00 0.00 34.13 33.55 1ukp s GLU 205 CO 0.00 0.13 1.28 -0.06 0.02 0.00 0.00 175.26 176.63 1ukp s PHE 206 N -1.24 2.95 -0.41 1.61 0.08 -1.26 -4.40 117.98 115.30 1ukp s PHE 206 Ca -0.05 1.44 0.05 0.00 0.12 0.00 0.00 56.93 58.49 1ukp s PHE 206 Cb -0.10 -3.63 0.43 0.00 -0.57 0.00 0.00 43.02 39.15 1ukp s PHE 206 CO 0.01 -1.88 1.12 1.04 -0.10 0.00 0.00 175.22 175.41 1ukp n GLN 207 N 0.39 3.45 -1.76 0.44 1.13 -1.26 -4.38 117.38 115.39 1ukp n GLN 207 Ca 0.02 -4.45 -0.22 0.00 -1.94 0.00 0.00 57.00 50.42 1ukp n GLN 207 Cb 0.43 -2.25 0.05 0.00 0.11 0.00 0.00 30.24 28.59 1ukp n GLN 207 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukp n TYR 209 N -0.79 0.46 -1.59 0.00 4.02 -0.74 -4.18 117.16 114.35 1ukp n TYR 209 Ca 0.43 -0.41 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 1ukp n TYR 209 Cb 0.91 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 40.28 1ukp n TYR 209 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1ukp s ASP 210 N -1.03 4.84 0.39 7.72 1.47 -1.26 -4.78 116.67 124.03 1ukp s ASP 210 Ca 0.26 1.99 0.12 0.00 1.18 0.00 0.00 52.55 56.09 1ukp s ASP 210 Cb 0.14 -2.55 0.91 0.00 -0.34 0.00 0.00 42.92 41.09 1ukp s ASP 210 CO 0.19 -1.81 1.90 0.07 0.68 0.00 0.00 175.17 176.20 1ukp h LYS 211 N -0.32 0.56 0.05 2.11 2.10 -1.93 -1.59 116.57 117.54 1ukp h LYS 211 Ca -0.46 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ukp h LYS 211 Cb 1.25 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1ukp h LYS 211 CO 0.53 0.37 -0.03 1.88 -2.00 0.00 0.00 179.45 180.20 1ukp h TYR 212 N 0.58 -0.06 -0.07 0.07 0.05 -1.90 -0.58 116.97 115.05 1ukp h TYR 212 Ca 0.40 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.05 1ukp h TYR 212 Cb 0.74 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1ukp h TYR 212 CO -0.00 0.08 -0.53 -0.07 -1.05 0.00 0.00 178.16 176.59 1ukp h LEU 213 N -0.20 0.21 -0.73 3.88 3.38 -1.81 -1.36 115.31 118.67 1ukp h LEU 213 Ca -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1ukp h LEU 213 Cb 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1ukp h LEU 213 CO 0.01 0.70 0.30 0.50 0.09 0.00 0.00 178.44 180.04 1ukp h LYS 214 N 0.15 1.09 -0.16 1.13 3.64 -1.17 0.25 116.57 121.51 1ukp h LYS 214 Ca 0.00 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.05 1ukp h LYS 214 Cb 0.99 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1ukp h LYS 214 CO 0.08 0.89 -0.49 0.00 -2.27 0.00 0.00 179.45 177.66 1ukp h ALA 215 N 1.14 0.87 -0.09 5.00 0.00 -0.89 -0.81 119.26 124.49 1ukp h ALA 215 Ca 0.24 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ukp h ALA 215 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ukp h ALA 215 CO -0.02 0.66 0.01 0.22 0.00 0.00 0.00 179.25 180.12 1ukp h ASP 216 N 0.33 0.15 -0.58 0.00 1.82 -0.61 -1.98 116.42 115.54 1ukp h ASP 216 Ca 0.02 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 56.31 1ukp h ASP 216 Cb 0.97 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.92 1ukp h ASP 216 CO 0.08 0.40 0.14 0.15 -1.61 0.00 0.00 179.24 178.40 1ukp h PHE 217 N -0.11 0.99 -0.83 0.28 3.57 -0.46 -2.06 116.94 118.31 1ukp h PHE 217 Ca 0.03 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1ukp h PHE 217 Cb 0.32 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1ukp h PHE 217 CO 0.03 0.84 0.55 -0.22 -2.23 0.00 0.00 178.31 177.28 1ukp h LYS 218 N 0.84 1.01 -0.09 1.11 3.64 -1.04 -0.36 116.57 121.68 1ukp h LYS 218 Ca 0.18 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 1ukp h LYS 218 Cb 0.36 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ukp h LYS 218 CO 0.00 0.67 -0.74 0.00 -2.27 0.00 0.00 179.45 177.11 1ukp h ALA 219 N 1.51 0.54 -0.30 5.00 0.00 -1.16 -2.77 119.26 122.08 1ukp h ALA 219 Ca 0.33 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1ukp h ALA 219 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ukp h ALA 219 CO -0.09 0.75 0.01 0.00 0.00 0.00 0.00 179.25 179.91 1ukp h ALA 220 N 0.87 0.41 -0.31 0.00 0.00 -0.59 -2.05 119.26 117.58 1ukp h ALA 220 Ca -0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1ukp h ALA 220 Cb 1.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ukp h ALA 220 CO 0.13 0.15 -0.28 -0.39 0.00 0.00 0.00 179.25 178.86 1ukp h VAL 221 N 0.33 1.28 -0.80 0.00 -1.51 -1.16 -2.27 116.25 112.11 1ukp h VAL 221 Ca 0.09 -1.38 -0.03 0.00 -1.23 0.00 0.00 66.70 64.15 1ukp h VAL 221 Cb 0.42 1.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.88 1ukp h VAL 221 CO 0.01 0.45 0.37 0.00 -1.23 0.00 0.00 177.57 177.17 1ukp h ALA 222 N 1.14 1.03 -0.11 5.19 0.00 -1.39 0.94 119.26 126.07 1ukp h ALA 222 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1ukp h ALA 222 Cb 0.76 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ukp h ALA 222 CO 0.06 0.62 -0.23 0.00 0.00 0.00 0.00 179.25 179.70 1ukp h ARG 223 N 1.14 0.19 0.00 0.00 3.08 -1.15 -0.70 114.38 116.95 1ukp h ARG 223 Ca 0.27 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ukp h ARG 223 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ukp h ARG 223 CO -0.03 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 1ukp n ALA 224 N -2.48 2.58 -1.51 0.04 0.00 -0.68 -4.86 120.51 113.60 1ukp n ALA 224 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1ukp n ALA 224 Cb 0.33 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1ukp n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 225 N 0.72 0.70 2.44 0.00 0.00 -0.27 -4.97 105.19 103.82 1ukp n GLY 225 Ca 0.11 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1ukp n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ukp n HIS 226 N -3.15 1.77 0.17 1.61 8.25 0.24 -4.92 115.22 119.18 1ukp n HIS 226 Ca -0.08 -3.88 0.09 0.00 -0.26 0.00 0.00 57.72 53.59 1ukp n HIS 226 Cb 0.36 -0.45 0.47 0.00 1.12 0.00 0.00 29.99 31.48 1ukp n HIS 226 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ukp n PRO 227 N 0.46 0.12 0.13 -0.41 -0.04 -1.25 -1.88 135.00 132.12 1ukp n PRO 227 Ca 0.27 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.43 1ukp n PRO 227 Cb 0.51 -1.86 0.32 0.00 -0.04 0.00 0.00 33.50 32.44 1ukp n PRO 227 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ukp h GLU 228 N 0.00 0.00 -6.55 0.54 9.09 -1.92 -3.46 114.58 112.28 1ukp h GLU 228 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1ukp h GLU 228 Cb 0.05 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.17 1ukp h GLU 228 CO 0.00 0.00 0.66 -1.58 0.05 0.00 0.00 179.01 178.14 1ukp s TRP 229 N -3.14 3.31 0.32 2.06 0.51 -0.79 -5.03 118.94 116.19 1ukp s TRP 229 Ca 0.09 1.12 0.10 0.00 -2.12 0.00 0.00 56.10 55.29 1ukp s TRP 229 Cb 0.11 -3.58 -0.06 0.00 -0.81 0.00 0.00 33.47 29.13 1ukp s TRP 229 CO 0.63 -1.93 -0.12 -1.21 -0.51 0.00 0.00 176.95 173.80 1ukp s GLU 230 N 0.84 1.80 0.87 4.98 0.41 -1.26 -4.97 118.70 121.38 1ukp s GLU 230 Ca 0.61 -1.86 -0.12 0.00 -0.41 0.00 0.00 54.97 53.19 1ukp s GLU 230 Cb -0.34 -1.75 0.09 0.00 -1.78 0.00 0.00 34.13 30.34 1ukp s GLU 230 CO 0.31 0.21 0.96 1.28 -0.49 0.00 0.00 175.26 177.53 1ukp n LEU 231 N -0.75 2.73 -4.59 1.80 4.77 -1.26 -4.86 117.00 114.85 1ukp n LEU 231 Ca -0.05 0.47 -0.46 0.00 -0.03 0.00 0.00 56.01 55.94 1ukp n LEU 231 Cb 0.62 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1ukp n LEU 231 CO 0.42 -2.40 0.65 -2.65 -1.33 0.00 0.00 177.39 172.08 1ukp n PRO 232 N -3.10 1.32 0.00 3.23 -0.02 -1.26 -4.92 135.00 130.25 1ukp n PRO 232 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ukp n PRO 232 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1ukp n PRO 232 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ukp n ASP 233 N 1.61 0.03 -2.10 2.55 5.75 -1.26 -4.83 116.55 118.30 1ukp n ASP 233 Ca 0.12 -0.24 -0.25 0.00 -0.01 0.00 0.00 54.79 54.41 1ukp n ASP 233 Cb 0.29 0.48 0.02 0.00 -1.03 0.00 0.00 41.12 40.89 1ukp n ASP 233 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ukp n ASP 234 N -0.49 5.07 -0.81 -1.12 5.75 -1.26 -4.72 116.55 118.97 1ukp n ASP 234 Ca 0.00 -3.75 0.12 0.00 -0.01 0.00 0.00 54.79 51.15 1ukp n ASP 234 Cb 0.00 -0.40 0.13 0.00 -1.03 0.00 0.00 41.12 39.83 1ukp n ASP 234 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukp n ALA 235 N -0.69 2.68 -0.19 2.12 0.00 -1.26 0.00 120.51 123.17 1ukp n ALA 235 Ca 0.44 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ukp n ALA 235 Cb 0.91 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1ukp n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 236 N 1.34 -0.57 3.45 0.00 0.00 -1.26 -4.89 105.19 103.26 1ukp n GLY 236 Ca 0.14 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1ukp n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukp s LYS 237 N 0.00 1.70 0.19 1.61 1.02 -1.26 -4.98 119.74 118.02 1ukp s LYS 237 Ca 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 55.97 53.97 1ukp s LYS 237 Cb 0.00 -0.68 0.34 0.00 -0.52 0.00 0.00 37.83 36.98 1ukp s LYS 237 CO 0.00 -0.30 1.04 0.66 -0.92 0.00 0.00 175.35 175.83 1ukp n TYR 238 N -0.72 0.27 0.37 3.18 4.01 -1.26 -1.14 117.16 121.87 1ukp n TYR 238 Ca -0.03 0.81 0.11 0.00 -0.16 0.00 0.00 57.90 58.63 1ukp n TYR 238 Cb 0.66 -0.91 0.25 0.00 -0.31 0.00 0.00 39.34 39.04 1ukp n TYR 238 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ukp n ASN 239 N -5.05 3.22 -4.61 7.72 5.03 -1.26 -1.39 115.26 118.92 1ukp n ASN 239 Ca 0.12 -1.96 -0.29 0.00 0.87 0.00 0.00 54.58 53.32 1ukp n ASN 239 Cb 0.37 -0.27 0.20 0.00 -1.02 0.00 0.00 39.78 39.06 1ukp n ASN 239 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1ukp s ASP 240 N -1.40 2.07 0.11 6.41 1.01 -0.29 -4.66 116.67 119.91 1ukp s ASP 240 Ca 0.39 1.35 0.07 0.00 0.71 0.00 0.00 52.55 55.07 1ukp s ASP 240 Cb 0.22 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1ukp s ASP 240 CO 0.31 -3.50 -0.10 0.68 0.21 0.00 0.00 175.17 172.77 1ukp s VAL 241 N -2.77 3.39 0.12 -1.27 -7.23 -1.26 -2.51 120.40 108.86 1ukp s VAL 241 Ca 0.66 -1.27 -0.24 0.00 -1.81 0.00 0.00 61.98 59.32 1ukp s VAL 241 Cb -0.21 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 1ukp s VAL 241 CO 0.60 0.10 1.41 1.55 -0.31 0.00 0.00 175.10 178.46 1ukp h PRO 242 N 3.58 -0.08 0.00 4.82 0.13 -1.97 -1.50 132.00 136.98 1ukp h PRO 242 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ukp h PRO 242 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ukp h PRO 242 CO 0.52 -0.05 0.14 0.93 -0.23 0.00 0.00 178.00 179.32 1ukp h GLU 243 N -0.08 0.00 -0.35 0.86 4.39 -1.95 -0.61 114.58 116.84 1ukp h GLU 243 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ukp h GLU 243 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1ukp h GLU 243 CO -0.65 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.07 1ukp n SER 244 N -2.41 1.76 -4.36 1.42 3.41 -0.56 -4.72 113.62 108.16 1ukp n SER 244 Ca -0.02 -2.03 -0.21 0.00 -0.26 0.00 0.00 58.87 56.36 1ukp n SER 244 Cb 0.18 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 1ukp n SER 244 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ukp s THR 245 N -1.60 1.89 0.07 6.66 -4.23 -0.24 -4.95 115.64 113.25 1ukp s THR 245 Ca 0.21 -2.12 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1ukp s THR 245 Cb 0.11 -2.00 -0.14 0.00 1.34 0.00 0.00 72.50 71.81 1ukp s THR 245 CO 0.13 -0.45 1.34 1.23 -0.54 0.00 0.00 174.62 176.33 1ukp h GLY 246 N 2.79 0.00 0.44 3.99 0.00 -1.77 -2.85 103.07 105.67 1ukp h GLY 246 Ca -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1ukp h GLY 246 CO 0.57 0.00 -0.12 -2.75 0.00 0.00 0.00 176.54 174.24 1ukp h PHE 247 N 0.00 0.16 -0.02 5.60 3.57 -0.76 -1.19 116.94 124.30 1ukp h PHE 247 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1ukp h PHE 247 Cb 1.64 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1ukp h PHE 247 CO 0.00 0.78 -0.27 1.19 -2.23 0.00 0.00 178.31 177.78 1ukp n PHE 248 N -4.64 0.00 -1.58 0.41 3.72 -1.26 -1.07 117.46 113.04 1ukp n PHE 248 Ca -0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 1ukp n PHE 248 Cb 0.40 -0.04 0.14 0.00 -0.94 0.00 0.00 39.48 39.04 1ukp n PHE 248 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1ukp s LYS 249 N -2.34 1.09 0.17 -1.08 -2.85 -1.08 -4.50 119.74 109.15 1ukp s LYS 249 Ca 0.24 0.21 -0.33 0.00 -1.00 0.00 0.00 55.97 55.09 1ukp s LYS 249 Cb 0.19 -1.84 -0.15 0.00 -2.06 0.00 0.00 37.83 33.97 1ukp s LYS 249 CO 0.48 -2.21 1.34 0.45 0.10 0.00 0.00 175.35 175.51 1ukp n SER 250 N -3.76 2.10 -2.30 0.03 2.88 -1.26 0.21 113.62 111.51 1ukp n SER 250 Ca 0.08 1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 58.61 1ukp n SER 250 Cb 0.59 -1.31 -0.01 0.00 -0.75 0.00 0.00 64.21 62.74 1ukp n SER 250 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukp n ASN 251 N 2.39 -4.14 -2.62 -3.46 3.02 -1.26 -4.94 115.26 104.24 1ukp n ASN 251 Ca 0.15 0.18 -0.08 0.00 -0.03 0.00 0.00 54.58 54.80 1ukp n ASN 251 Cb 0.26 -3.54 0.06 0.00 -0.61 0.00 0.00 39.78 35.95 1ukp n ASN 251 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ukp n GLY 252 N -0.76 -1.73 0.31 7.41 0.00 0.13 -4.90 105.19 105.64 1ukp n GLY 252 Ca -0.16 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1ukp n GLY 252 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ukp h THR 253 N -1.45 0.94 0.00 2.61 2.02 -0.96 -2.68 112.91 113.39 1ukp h THR 253 Ca -0.12 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1ukp h THR 253 Cb 0.33 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1ukp h THR 253 CO 0.08 0.03 0.00 0.00 0.37 0.00 0.00 175.52 176.00 1ukp n TYR 254 N -4.48 0.55 0.61 3.16 4.11 -0.23 -1.30 117.16 119.57 1ukp n TYR 254 Ca 0.03 0.28 0.10 0.00 -0.00 0.00 0.00 57.90 58.31 1ukp n TYR 254 Cb 0.25 -0.95 0.12 0.00 -0.00 0.00 0.00 39.34 38.75 1ukp n TYR 254 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1ukp n VAL 255 N -2.06 0.18 -2.23 -3.48 0.24 -1.01 -3.94 118.33 106.04 1ukp n VAL 255 Ca -0.01 -0.59 -0.28 0.00 -2.04 0.00 0.00 64.34 61.42 1ukp n VAL 255 Cb 0.04 1.24 0.04 0.00 -1.47 0.00 0.00 33.84 33.69 1ukp n VAL 255 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ukp s THR 256 N -1.52 3.58 0.22 3.34 -4.23 -0.42 -4.85 115.64 111.76 1ukp s THR 256 Ca 0.26 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 1ukp s THR 256 Cb 0.17 -3.45 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1ukp s THR 256 CO 0.25 -0.51 1.83 -0.08 -0.54 0.00 0.00 174.62 175.57 1ukp h GLU 257 N -0.34 0.80 -0.27 3.99 4.81 -1.94 0.86 114.58 122.49 1ukp h GLU 257 Ca -0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1ukp h GLU 257 Cb 1.26 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1ukp h GLU 257 CO 0.62 0.53 0.10 -0.22 -0.73 0.00 0.00 179.01 179.30 1ukp h LYS 258 N 0.82 0.41 -0.22 1.92 3.64 -1.93 -2.31 116.57 118.91 1ukp h LYS 258 Ca 0.31 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ukp h LYS 258 Cb 0.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ukp h LYS 258 CO -0.15 0.46 0.14 0.78 -2.27 0.00 0.00 179.45 178.41 1ukp h GLY 259 N 0.28 0.32 2.00 5.01 0.00 -1.41 -2.13 103.07 107.14 1ukp h GLY 259 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1ukp h GLY 259 CO -0.01 0.13 -0.18 0.50 0.00 0.00 0.00 176.54 176.98 1ukp h LYS 260 N 0.28 0.00 -0.13 4.80 1.57 -0.83 -1.78 116.57 120.48 1ukp h LYS 260 Ca 0.08 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1ukp h LYS 260 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ukp h LYS 260 CO -0.02 0.18 -0.53 0.35 -0.57 0.00 0.00 179.45 178.87 1ukp h PHE 261 N 0.00 0.79 0.17 -1.35 3.57 -1.18 -2.27 116.94 116.67 1ukp h PHE 261 Ca -0.00 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1ukp h PHE 261 Cb 0.33 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1ukp h PHE 261 CO 0.00 1.12 -0.09 0.35 -2.23 0.00 0.00 178.31 177.46 1ukp h PHE 262 N 0.23 -0.22 -0.72 0.41 3.57 -0.97 -0.08 116.94 119.16 1ukp h PHE 262 Ca -0.03 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1ukp h PHE 262 Cb 1.16 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1ukp h PHE 262 CO 0.10 -0.14 0.48 -0.07 -2.23 0.00 0.00 178.31 176.46 1ukp h LEU 263 N -0.23 0.76 -0.35 0.59 3.38 -1.40 0.47 115.31 118.54 1ukp h LEU 263 Ca -0.02 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1ukp h LEU 263 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ukp h LEU 263 CO 0.03 0.53 -0.40 0.74 0.09 0.00 0.00 178.44 179.43 1ukp h THR 264 N 0.89 1.28 -0.33 0.22 2.02 -1.15 -1.72 112.91 114.12 1ukp h THR 264 Ca 0.29 -1.57 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 1ukp h THR 264 Cb 0.04 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1ukp h THR 264 CO -0.08 0.52 0.01 -0.25 0.37 0.00 0.00 175.52 176.09 1ukp h TRP 265 N 0.68 0.63 -0.21 3.16 7.01 0.00 -1.99 115.95 125.23 1ukp h TRP 265 Ca 0.05 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1ukp h TRP 265 Cb 0.99 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 1ukp h TRP 265 CO 0.07 0.69 0.12 -0.92 -2.79 0.00 0.00 178.44 175.61 1ukp h TYR 266 N 0.39 0.29 -0.02 2.65 3.20 -0.06 -2.85 116.97 120.57 1ukp h TYR 266 Ca 0.10 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.80 1ukp h TYR 266 Cb 0.43 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1ukp h TYR 266 CO 0.03 0.25 -0.74 0.66 -1.64 0.00 0.00 178.16 176.72 1ukp h SER 267 N 0.25 0.17 0.07 -2.11 4.64 -1.35 -3.16 113.55 112.06 1ukp h SER 267 Ca 0.08 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1ukp h SER 267 Cb 0.05 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ukp h SER 267 CO -0.01 0.85 -0.18 0.78 -0.87 0.00 0.00 176.83 177.39 1ukp h ASN 268 N 0.09 0.21 -0.60 4.97 -0.26 -1.30 -2.62 115.58 116.07 1ukp h ASN 268 Ca -0.02 -0.05 0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1ukp h ASN 268 Cb 1.30 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 38.47 1ukp h ASN 268 CO 0.11 0.41 0.40 0.11 -1.06 0.00 0.00 177.43 177.39 1ukp h LYS 269 N 0.20 0.66 -0.11 0.81 1.79 -1.46 -1.61 116.57 116.85 1ukp h LYS 269 Ca 0.04 -0.04 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 1ukp h LYS 269 Cb 0.45 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1ukp h LYS 269 CO 0.03 0.44 -0.86 -0.07 -1.08 0.00 0.00 179.45 177.91 1ukp h LEU 270 N 0.68 0.94 -0.48 2.94 3.38 -1.60 -1.33 115.31 119.85 1ukp h LEU 270 Ca 0.24 -0.66 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1ukp h LEU 270 Cb 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1ukp h LEU 270 CO -0.07 1.46 0.27 -0.07 0.09 0.00 0.00 178.44 180.12 1ukp h LEU 271 N 0.50 0.41 -0.63 1.67 3.38 -1.24 -1.23 115.31 118.18 1ukp h LEU 271 Ca -0.08 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1ukp h LEU 271 Cb 1.50 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1ukp h LEU 271 CO 0.17 0.29 -0.52 0.78 0.09 0.00 0.00 178.44 179.26 1ukp h ASN 272 N 0.53 0.00 0.03 -0.43 2.35 -1.33 -1.49 115.58 115.23 1ukp h ASN 272 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1ukp h ASN 272 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1ukp h ASN 272 CO -0.11 0.52 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.43 1ukp h HIS 273 N 0.00 -0.03 -0.38 1.19 2.76 -0.75 -1.43 115.15 116.51 1ukp h HIS 273 Ca -0.01 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1ukp h HIS 273 Cb 1.12 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 1ukp h HIS 273 CO 0.00 0.17 -0.09 0.78 -1.30 0.00 0.00 177.93 177.49 1ukp h GLY 274 N -0.23 0.80 0.89 5.26 0.00 -1.18 -2.39 103.07 106.22 1ukp h GLY 274 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1ukp h GLY 274 CO 0.01 0.60 0.23 -1.80 0.00 0.00 0.00 176.54 175.58 1ukp h ASP 275 N 0.54 0.36 -0.49 0.19 3.58 -1.24 0.80 116.42 120.16 1ukp h ASP 275 Ca 0.10 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 1ukp h ASP 275 Cb 0.61 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1ukp h ASP 275 CO 0.04 0.26 0.00 1.56 -2.88 0.00 0.00 179.24 178.22 1ukp h GLN 276 N 0.46 0.87 -0.07 0.28 4.20 -1.23 -1.91 115.11 117.71 1ukp h GLN 276 Ca 0.16 -0.28 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 1ukp h GLN 276 Cb 0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1ukp h GLN 276 CO -0.08 0.91 -0.70 0.82 -0.67 0.00 0.00 178.83 179.10 1ukp h ILE 277 N 0.73 1.39 -0.15 2.54 2.04 -1.29 -2.82 117.51 119.96 1ukp h ILE 277 Ca 0.14 -2.13 -0.08 0.00 1.00 0.00 0.00 64.86 63.79 1ukp h ILE 277 Cb 0.51 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1ukp h ILE 277 CO 0.02 0.64 -0.28 -0.07 0.00 0.00 0.00 178.15 178.46 1ukp h LEU 278 N 0.23 0.28 -0.63 1.44 3.38 -0.74 -2.06 115.31 117.22 1ukp h LEU 278 Ca -0.02 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ukp h LEU 278 Cb 1.26 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1ukp h LEU 278 CO 0.12 0.56 0.31 0.44 0.09 0.00 0.00 178.44 179.96 1ukp h ASP 279 N 0.25 0.42 0.49 -0.43 3.32 -1.09 0.22 116.42 119.61 1ukp h ASP 279 Ca 0.04 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1ukp h ASP 279 Cb 0.63 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1ukp h ASP 279 CO 0.05 0.27 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.03 1ukp h GLU 280 N 0.57 0.00 -0.19 3.56 4.39 -1.33 -2.69 114.58 118.89 1ukp h GLU 280 Ca 0.29 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.82 1ukp h GLU 280 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1ukp h GLU 280 CO -0.22 0.47 -0.60 0.00 -1.16 0.00 0.00 179.01 177.50 1ukp h ALA 281 N 1.53 0.59 -0.47 3.43 0.00 -0.58 0.22 119.26 123.97 1ukp h ALA 281 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1ukp h ALA 281 Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ukp h ALA 281 CO 0.06 0.70 0.05 -0.91 0.00 0.00 0.00 179.25 179.15 1ukp h ASN 282 N 0.47 0.69 -0.06 0.00 2.35 -0.84 -1.23 115.58 116.96 1ukp h ASN 282 Ca -0.00 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1ukp h ASN 282 Cb 1.17 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1ukp h ASN 282 CO 0.12 0.73 -0.18 0.11 -1.65 0.00 0.00 177.43 176.55 1ukp h LYS 283 N 0.70 0.24 -0.71 0.81 1.57 -1.28 -1.88 116.57 116.01 1ukp h LYS 283 Ca 0.15 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1ukp h LYS 283 Cb 0.35 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1ukp h LYS 283 CO 0.01 0.79 0.40 0.00 -0.57 0.00 0.00 179.45 180.08 1ukp h ALA 284 N 0.45 0.97 -0.50 3.86 0.00 -0.76 -3.06 119.26 120.22 1ukp h ALA 284 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ukp h ALA 284 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ukp h ALA 284 CO 0.04 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.56 1ukp n PHE 285 N -4.76 1.24 -1.60 0.00 3.72 -0.48 -4.84 117.46 110.72 1ukp n PHE 285 Ca 0.10 -0.66 -0.53 0.00 -0.05 0.00 0.00 57.45 56.30 1ukp n PHE 285 Cb 0.19 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.42 1ukp n PHE 285 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ukp n LEU 286 N 0.60 1.70 0.00 4.37 7.94 -0.71 -1.37 117.00 129.54 1ukp n LEU 286 Ca 0.22 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 1ukp n LEU 286 Cb 0.84 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1ukp n LEU 286 CO 0.20 -0.99 0.00 0.61 -1.11 0.00 0.00 177.39 176.10 1ukp n GLY 287 N 2.72 3.05 3.77 -3.96 0.00 -0.08 -4.90 105.19 105.79 1ukp n GLY 287 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1ukp n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukp n LYS 289 N -1.43 3.37 -3.97 0.00 5.02 -1.26 0.60 118.16 120.48 1ukp n LYS 289 Ca 0.12 -3.22 -0.08 0.00 -2.02 0.00 0.00 58.31 53.10 1ukp n LYS 289 Cb 0.51 -3.05 -0.08 0.00 -0.02 0.00 0.00 35.03 32.39 1ukp n LYS 289 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ukp s VAL 290 N 1.32 0.15 0.10 -0.18 -7.23 -1.26 -4.70 120.40 108.60 1ukp s VAL 290 Ca 0.42 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.17 1ukp s VAL 290 Cb 0.11 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1ukp s VAL 290 CO -0.03 -0.69 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.50 1ukp s LYS 291 N -3.91 2.37 0.27 4.82 -0.14 -0.72 -4.44 119.74 117.98 1ukp s LYS 291 Ca 0.09 -0.92 -0.01 0.00 -1.36 0.00 0.00 55.97 53.77 1ukp s LYS 291 Cb 0.06 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 1ukp s LYS 291 CO -0.08 0.52 0.48 -0.51 -0.76 0.00 0.00 175.35 175.01 1ukp s LEU 292 N -2.29 4.12 0.17 3.17 1.43 -1.26 -0.40 118.68 123.62 1ukp s LEU 292 Ca 0.24 0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 1ukp s LEU 292 Cb -0.11 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 42.85 1ukp s LEU 292 CO 0.16 -0.16 0.54 0.00 0.23 0.00 0.00 176.35 177.13 1ukp s ALA 293 N -2.06 -1.25 0.19 4.21 0.00 -0.31 -0.40 121.76 122.15 1ukp s ALA 293 Ca 0.40 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1ukp s ALA 293 Cb -0.10 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1ukp s ALA 293 CO 0.31 -0.76 0.05 0.96 0.00 0.00 0.00 175.76 176.31 1ukp s ILE 294 N -3.80 0.50 -0.15 0.00 -4.36 -0.95 -0.37 121.20 112.07 1ukp s ILE 294 Ca 0.04 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 1ukp s ILE 294 Cb -0.01 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1ukp s ILE 294 CO -0.09 -0.31 -0.12 -0.75 0.24 0.00 0.00 174.94 173.91 1ukp s LYS 295 N -3.99 3.36 -0.14 0.37 2.47 -1.26 -1.70 119.74 118.85 1ukp s LYS 295 Ca 0.29 -0.69 -0.03 0.00 -1.56 0.00 0.00 55.97 53.98 1ukp s LYS 295 Cb 0.07 -2.69 -0.03 0.00 -1.46 0.00 0.00 37.83 33.73 1ukp s LYS 295 CO 0.07 0.12 -0.04 0.08 0.16 0.00 0.00 175.35 175.74 1ukp s VAL 296 N 0.59 3.87 0.57 4.02 1.01 -0.55 -1.30 120.40 128.61 1ukp s VAL 296 Ca -0.07 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1ukp s VAL 296 Cb -0.15 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1ukp s VAL 296 CO 0.03 0.51 1.08 -0.55 0.00 0.00 0.00 175.10 176.18 1ukp s SER 297 N 0.17 5.75 -0.63 3.32 0.15 -1.26 -4.39 113.70 116.81 1ukp s SER 297 Ca -0.02 1.98 -0.08 0.00 0.70 0.00 0.00 55.95 58.54 1ukp s SER 297 Cb -0.14 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.78 1ukp s SER 297 CO 0.03 -1.19 0.50 -0.83 1.20 0.00 0.00 173.24 172.95 1ukp s GLY 298 N -2.27 2.41 -0.80 9.45 0.00 -1.26 -4.94 107.32 109.90 1ukp s GLY 298 Ca 0.68 -3.06 -0.17 0.00 0.00 0.00 0.00 44.72 42.17 1ukp s GLY 298 CO 0.31 1.15 0.86 -0.42 0.00 0.00 0.00 173.10 174.99 1ukp s ILE 299 N 0.42 5.17 -0.69 0.90 -1.09 -1.26 -4.86 121.20 119.79 1ukp s ILE 299 Ca 0.14 -1.86 0.24 0.00 -2.23 0.00 0.00 60.65 56.93 1ukp s ILE 299 Cb -0.19 -4.57 -0.03 0.00 -1.58 0.00 0.00 42.46 36.09 1ukp s ILE 299 CO -0.04 -1.19 1.20 0.00 -1.23 0.00 0.00 174.94 173.68 1ukp n HIS 300 N 5.29 0.34 -2.78 3.97 1.44 -1.26 -4.72 115.22 117.51 1ukp n HIS 300 Ca 0.11 0.10 -0.41 0.00 -2.01 0.00 0.00 57.72 55.51 1ukp n HIS 300 Cb 0.46 -0.49 -0.04 0.00 0.12 0.00 0.00 29.99 30.04 1ukp n HIS 300 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1ukp s TRP 301 N -3.15 3.72 0.00 -1.40 -2.14 -1.26 -1.51 118.94 113.19 1ukp s TRP 301 Ca 0.06 1.67 0.00 0.00 2.66 0.00 0.00 56.10 60.49 1ukp s TRP 301 Cb 0.14 -3.03 0.00 0.00 -3.10 0.00 0.00 33.47 27.48 1ukp s TRP 301 CO 0.75 0.11 0.00 0.91 -2.66 0.00 0.00 176.95 176.07 1ukp n TRP 302 N 3.34 0.00 0.22 1.66 7.02 -0.63 -4.22 117.44 124.82 1ukp n TRP 302 Ca 0.03 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.56 1ukp n TRP 302 Cb 0.50 0.00 0.48 0.00 -2.42 0.00 0.00 31.31 29.87 1ukp n TRP 302 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 1ukp h TYR 303 N 0.00 0.00 0.00 -5.99 3.20 -1.45 -2.73 116.97 110.00 1ukp h TYR 303 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ukp h TYR 303 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1ukp h TYR 303 CO 0.00 0.22 0.00 1.63 -1.64 0.00 0.00 178.16 178.37 1ukp n LYS 304 N -4.27 0.30 -4.35 1.82 4.76 -0.76 -4.83 118.16 110.83 1ukp n LYS 304 Ca -0.02 0.07 -0.26 0.00 -2.87 0.00 0.00 58.31 55.23 1ukp n LYS 304 Cb 0.28 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 1ukp n LYS 304 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ukp s VAL 305 N -2.62 2.95 0.42 -0.18 -7.23 -1.03 -5.03 120.40 107.68 1ukp s VAL 305 Ca 0.21 -1.89 0.24 0.00 -1.81 0.00 0.00 61.98 58.73 1ukp s VAL 305 Cb 0.16 -2.48 0.44 0.00 0.56 0.00 0.00 36.38 35.05 1ukp s VAL 305 CO 0.37 -0.20 1.73 -0.33 -0.31 0.00 0.00 175.10 176.36 1ukp h GLU 306 N 2.71 0.26 0.00 4.82 5.08 -1.88 -2.39 114.58 123.18 1ukp h GLU 306 Ca -0.45 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1ukp h GLU 306 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ukp h GLU 306 CO 0.55 0.17 -0.20 -2.95 -1.00 0.00 0.00 179.01 175.58 1ukp h ASN 307 N 0.26 0.00 -7.02 1.42 -1.07 -1.86 -3.41 115.58 103.90 1ukp h ASN 307 Ca 0.66 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 56.42 1ukp h ASN 307 Cb 1.90 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 37.94 1ukp h ASN 307 CO -0.30 0.20 -0.95 1.41 0.07 0.00 0.00 177.43 177.86 1ukp n HIS 308 N -3.16 -1.31 -0.22 4.14 8.25 -0.90 -4.77 115.22 117.26 1ukp n HIS 308 Ca 0.03 0.64 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1ukp n HIS 308 Cb 0.60 -2.80 0.12 0.00 1.12 0.00 0.00 29.99 29.03 1ukp n HIS 308 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ukp h ALA 309 N 0.81 0.86 -0.78 -1.41 0.00 -1.87 -1.80 119.26 115.07 1ukp h ALA 309 Ca -0.65 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1ukp h ALA 309 Cb 1.40 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1ukp h ALA 309 CO 0.73 -0.12 0.34 0.00 0.00 0.00 0.00 179.25 180.19 1ukp h ALA 310 N 1.41 1.13 -0.38 0.00 0.00 -1.73 -2.32 119.26 117.37 1ukp h ALA 310 Ca 0.32 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1ukp h ALA 310 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ukp h ALA 310 CO -0.28 0.64 -0.35 0.93 0.00 0.00 0.00 179.25 180.19 1ukp h GLU 311 N 1.12 0.90 -0.77 0.00 5.08 -1.74 -2.69 114.58 116.48 1ukp h GLU 311 Ca 0.26 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1ukp h GLU 311 Cb 0.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1ukp h GLU 311 CO -0.03 1.12 0.31 -0.07 -1.00 0.00 0.00 179.01 179.34 1ukp h LEU 312 N 0.71 1.07 -0.77 1.33 4.07 -1.08 -1.04 115.31 119.61 1ukp h LEU 312 Ca 0.06 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 1ukp h LEU 312 Cb 0.94 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1ukp h LEU 312 CO 0.09 0.96 -0.27 0.71 -1.08 0.00 0.00 178.44 178.85 1ukp h THR 313 N 1.13 0.57 0.00 0.22 1.35 -1.45 -2.87 112.91 111.86 1ukp h THR 313 Ca 0.26 -1.36 -0.08 0.00 -0.55 0.00 0.00 66.41 64.68 1ukp h THR 313 Cb 0.22 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1ukp h THR 313 CO -0.02 0.26 -0.36 0.00 -0.25 0.00 0.00 175.52 175.15 1ukp h ALA 314 N 1.73 0.90 0.00 6.62 0.00 -1.03 -3.42 119.26 124.06 1ukp h ALA 314 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ukp h ALA 314 Cb 0.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ukp h ALA 314 CO 0.03 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1ukp n GLY 315 N 0.54 1.00 3.41 0.00 0.00 -0.69 -1.01 105.19 108.45 1ukp n GLY 315 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1ukp n GLY 315 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ukp s TYR 316 N -2.00 3.23 -1.32 1.61 2.02 -0.48 -4.29 117.35 116.12 1ukp s TYR 316 Ca 0.00 -0.79 -0.16 0.00 -0.37 0.00 0.00 57.07 55.75 1ukp s TYR 316 Cb 0.00 -3.04 0.01 0.00 -0.40 0.00 0.00 41.96 38.54 1ukp s TYR 316 CO 0.00 -0.76 2.08 0.98 -1.57 0.00 0.00 175.55 176.28 1ukp n TYR 317 N 5.27 3.51 -4.05 2.71 -0.00 -1.26 -3.40 117.16 119.93 1ukp n TYR 317 Ca -0.11 -2.73 -0.35 0.00 -0.00 0.00 0.00 57.90 54.71 1ukp n TYR 317 Cb 0.45 -2.46 -0.12 0.00 -0.00 0.00 0.00 39.34 37.20 1ukp n TYR 317 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1ukp s ASN 318 N 3.79 4.89 0.21 2.98 2.47 -1.26 -3.42 114.94 124.60 1ukp s ASN 318 Ca 0.51 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.60 1ukp s ASN 318 Cb 0.11 -1.84 -0.05 0.00 -1.45 0.00 0.00 41.25 38.03 1ukp s ASN 318 CO -0.02 0.07 0.09 -0.76 -3.72 0.00 0.00 177.10 172.76 1ukp s LEU 319 N 1.00 1.55 0.51 3.21 1.43 -0.47 -4.65 118.68 121.26 1ukp s LEU 319 Ca 0.02 -1.34 0.29 0.00 -1.03 0.00 0.00 54.13 52.07 1ukp s LEU 319 Cb -0.14 0.17 1.40 0.00 0.03 0.00 0.00 46.19 47.64 1ukp s LEU 319 CO 0.02 -0.75 1.88 0.78 0.23 0.00 0.00 176.35 178.52 1ukp h ASN 320 N 2.57 0.09 -0.02 2.29 4.21 -1.91 -1.87 115.58 120.93 1ukp h ASN 320 Ca -0.37 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.15 1ukp h ASN 320 Cb 1.24 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1ukp h ASN 320 CO 0.58 0.03 -0.04 -0.90 -1.29 0.00 0.00 177.43 175.81 1ukp n ASP 321 N -4.33 2.39 -3.47 5.81 5.75 -1.26 -4.94 116.55 116.50 1ukp n ASP 321 Ca 0.19 -3.15 -0.17 0.00 -0.01 0.00 0.00 54.79 51.65 1ukp n ASP 321 Cb 0.90 -0.44 -0.12 0.00 -1.03 0.00 0.00 41.12 40.43 1ukp n ASP 321 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1ukp s ARG 322 N -2.91 0.22 -0.52 0.11 3.52 -0.70 -4.53 118.95 114.14 1ukp s ARG 322 Ca 0.33 0.26 -0.28 0.00 -0.13 0.00 0.00 55.73 55.91 1ukp s ARG 322 Cb 0.29 -1.08 0.00 0.00 -1.56 0.00 0.00 34.95 32.60 1ukp s ARG 322 CO 0.03 -0.66 1.56 0.34 -0.81 0.00 0.00 175.30 175.76 1ukp s ASP 323 N 2.36 5.94 0.00 -2.12 -1.08 0.62 -1.37 116.67 121.02 1ukp s ASP 323 Ca 0.08 0.52 0.26 0.00 -0.52 0.00 0.00 52.55 52.89 1ukp s ASP 323 Cb -0.16 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.01 1ukp s ASP 323 CO -0.13 -1.81 1.84 0.61 0.52 0.00 0.00 175.17 176.20 1ukp n GLY 324 N 5.35 -0.43 0.19 2.66 0.00 -1.22 -4.20 105.19 107.55 1ukp n GLY 324 Ca 0.16 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1ukp n GLY 324 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ukp n TYR 325 N -0.33 0.00 -0.24 1.61 4.01 -1.26 -4.47 117.16 116.48 1ukp n TYR 325 Ca 0.19 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.13 1ukp n TYR 325 Cb 0.22 -0.51 0.52 0.00 -0.31 0.00 0.00 39.34 39.27 1ukp n TYR 325 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1ukp h ARG 326 N -0.13 0.37 -0.01 -0.72 2.43 -1.81 0.14 114.38 114.65 1ukp h ARG 326 Ca -0.31 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1ukp h ARG 326 Cb 1.42 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1ukp h ARG 326 CO -0.09 0.24 -0.11 -1.35 -1.51 0.00 0.00 179.97 177.15 1ukp h PRO 327 N 0.38 0.01 -0.35 0.20 0.11 -1.78 -0.54 132.00 130.04 1ukp h PRO 327 Ca 0.48 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.43 1ukp h PRO 327 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1ukp h PRO 327 CO -0.17 0.13 -0.38 0.82 -0.21 0.00 0.00 178.00 178.19 1ukp h ILE 328 N 0.01 1.28 -0.50 4.15 2.04 -1.00 -1.77 117.51 121.72 1ukp h ILE 328 Ca 0.00 -1.55 -0.07 0.00 1.00 0.00 0.00 64.86 64.25 1ukp h ILE 328 Cb 0.21 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1ukp h ILE 328 CO 0.01 0.51 0.05 0.00 0.00 0.00 0.00 178.15 178.73 1ukp h ALA 329 N 0.89 0.66 -0.49 1.87 0.00 -1.08 -1.76 119.26 119.36 1ukp h ALA 329 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ukp h ALA 329 Cb 0.94 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1ukp h ALA 329 CO 0.09 0.42 0.12 -0.09 0.00 0.00 0.00 179.25 179.79 1ukp h ARG 330 N 0.71 0.74 -0.68 0.00 2.43 -1.01 -1.72 114.38 114.85 1ukp h ARG 330 Ca 0.15 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1ukp h ARG 330 Cb 0.44 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1ukp h ARG 330 CO 0.02 0.67 0.15 1.98 -1.51 0.00 0.00 179.97 181.28 1ukp h MET 331 N 0.72 1.10 -0.05 0.20 4.05 -1.02 -2.81 114.93 117.13 1ukp h MET 331 Ca 0.16 -0.28 -0.07 0.00 -0.28 0.00 0.00 59.70 59.23 1ukp h MET 331 Cb 0.27 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1ukp h MET 331 CO -0.00 0.99 -0.31 -0.07 0.23 0.00 0.00 176.91 177.75 1ukp h LEU 332 N 1.03 0.09 -1.79 3.39 3.38 -0.57 -3.19 115.31 117.65 1ukp h LEU 332 Ca 0.21 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1ukp h LEU 332 Cb 0.39 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ukp h LEU 332 CO 0.01 0.40 0.22 0.77 0.09 0.00 0.00 178.44 179.92 1ukp h SER 333 N 0.08 0.24 0.90 -0.43 4.64 -1.06 -0.89 113.55 117.02 1ukp h SER 333 Ca 0.01 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1ukp h SER 333 Cb 0.59 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1ukp h SER 333 CO 0.04 0.16 -0.08 0.08 -0.87 0.00 0.00 176.83 176.16 1ukp h ARG 334 N 0.27 0.00 -0.02 4.77 0.11 -1.68 -2.44 114.38 115.39 1ukp h ARG 334 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1ukp h ARG 334 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1ukp h ARG 334 CO -0.03 0.08 -0.23 0.72 0.10 0.00 0.00 179.97 180.62 1ukp n HIS 335 N -3.24 0.00 -2.73 4.08 8.25 -0.40 0.11 115.22 121.29 1ukp n HIS 335 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1ukp n HIS 335 Cb 0.33 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.44 1ukp n HIS 335 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ukp n HIS 336 N 0.45 -1.50 -3.19 4.41 8.25 -0.81 -4.82 115.22 118.01 1ukp n HIS 336 Ca 0.12 0.25 -0.25 0.00 -0.26 0.00 0.00 57.72 57.58 1ukp n HIS 336 Cb 0.49 -3.95 -0.01 0.00 1.12 0.00 0.00 29.99 27.64 1ukp n HIS 336 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ukp s ALA 337 N -3.04 3.62 0.04 -1.41 0.00 -1.06 -4.55 121.76 115.36 1ukp s ALA 337 Ca 0.15 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 1ukp s ALA 337 Cb -0.07 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 1ukp s ALA 337 CO 0.19 -0.11 0.44 0.42 0.00 0.00 0.00 175.76 176.70 1ukp s ILE 338 N -2.43 4.99 -0.42 0.00 1.01 0.47 -4.35 121.20 120.47 1ukp s ILE 338 Ca 0.42 0.82 -0.14 0.00 0.00 0.00 0.00 60.65 61.74 1ukp s ILE 338 Cb -0.10 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1ukp s ILE 338 CO 0.38 0.50 0.30 -0.22 0.00 0.00 0.00 174.94 175.90 1ukp s LEU 339 N -1.30 5.14 -0.35 2.97 0.20 -0.69 -2.24 118.68 122.40 1ukp s LEU 339 Ca 0.27 -1.01 -0.18 0.00 0.69 0.00 0.00 54.13 53.90 1ukp s LEU 339 Cb -0.16 -2.14 -0.00 0.00 -0.43 0.00 0.00 46.19 43.46 1ukp s LEU 339 CO 0.15 -0.48 0.49 0.21 -0.29 0.00 0.00 176.35 176.43 1ukp s ASN 340 N 1.84 6.29 0.00 3.68 3.04 -0.69 -0.73 114.94 128.37 1ukp s ASN 340 Ca 0.04 -0.09 0.00 0.00 0.04 0.00 0.00 52.86 52.85 1ukp s ASN 340 Cb -0.20 -2.26 0.00 0.00 -1.54 0.00 0.00 41.25 37.25 1ukp s ASN 340 CO 0.09 -0.47 0.00 0.33 -3.04 0.00 0.00 177.10 174.01 1ukp n PHE 341 N 5.69 -0.23 -2.72 0.43 7.35 0.52 -1.48 117.46 127.02 1ukp n PHE 341 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1ukp n PHE 341 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1ukp n PHE 341 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ukp n THR 342 N -0.08 0.00 -1.48 -2.13 5.66 -1.26 -1.43 114.28 113.56 1ukp n THR 342 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1ukp n THR 342 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1ukp n THR 342 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ukp h LEU 344 N 0.00 0.00 -0.86 0.00 4.07 -1.82 -2.60 115.31 114.10 1ukp h LEU 344 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1ukp h LEU 344 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1ukp h LEU 344 CO 0.50 0.00 -0.49 -1.84 -1.08 0.00 0.00 178.44 175.53 1ukp n GLU 345 N -2.94 1.27 -3.10 1.13 0.00 -1.26 -2.77 120.64 112.96 1ukp n GLU 345 Ca -0.02 -0.84 -0.36 0.00 0.00 0.00 0.00 57.16 55.94 1ukp n GLU 345 Cb 0.14 -1.42 -0.06 0.00 0.00 0.00 0.00 31.44 30.10 1ukp n GLU 345 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1ukp s MET 346 N -2.37 4.27 0.00 3.44 -1.94 -0.98 -4.70 119.30 117.02 1ukp s MET 346 Ca 0.16 0.88 0.07 0.00 -1.71 0.00 0.00 55.69 55.09 1ukp s MET 346 Cb 0.16 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 1ukp s MET 346 CO 0.55 0.42 -0.23 1.03 -0.01 0.00 0.00 175.02 176.78 1ukp s ARG 347 N -1.88 1.75 0.42 2.03 0.52 -1.26 -4.39 118.95 116.15 1ukp s ARG 347 Ca 0.42 -0.88 0.16 0.00 -0.52 0.00 0.00 55.73 54.91 1ukp s ARG 347 Cb -0.17 -1.76 1.06 0.00 0.52 0.00 0.00 34.95 34.59 1ukp s ARG 347 CO 0.21 0.47 1.89 -0.44 0.02 0.00 0.00 175.30 177.45 1ukp h ASP 348 N 5.32 0.41 0.30 0.23 5.19 -1.96 -0.33 116.42 125.57 1ukp h ASP 348 Ca -0.42 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1ukp h ASP 348 Cb 1.14 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1ukp h ASP 348 CO 0.46 0.19 -0.01 0.77 -3.12 0.00 0.00 179.24 177.53 1ukp h SER 349 N 0.42 0.00 0.62 6.45 4.64 -1.95 -2.32 113.55 121.41 1ukp h SER 349 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1ukp h SER 349 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1ukp h SER 349 CO -0.15 0.01 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.05 1ukp n GLU 350 N -3.17 0.28 -3.96 4.77 1.02 -0.13 -4.85 120.64 114.59 1ukp n GLU 350 Ca -0.02 -0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 1ukp n GLU 350 Cb 0.15 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 1ukp n GLU 350 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ukp s GLN 351 N -2.78 3.33 0.32 3.49 -1.52 -0.88 -5.05 119.66 116.58 1ukp s GLN 351 Ca 0.20 -0.31 -0.29 0.00 -1.95 0.00 0.00 55.36 53.00 1ukp s GLN 351 Cb 0.19 -3.05 -0.11 0.00 -0.22 0.00 0.00 33.01 29.82 1ukp s GLN 351 CO 0.54 0.70 1.50 -1.25 -0.25 0.00 0.00 175.29 176.53 1ukp s PRO 352 N -1.61 4.16 0.37 2.91 0.04 -1.26 -4.88 135.00 134.74 1ukp s PRO 352 Ca 0.22 2.50 0.12 0.00 0.04 0.00 0.00 61.00 63.88 1ukp s PRO 352 Cb -0.12 -3.02 0.90 0.00 0.04 0.00 0.00 34.50 32.30 1ukp s PRO 352 CO 0.13 -0.52 1.84 0.77 0.04 0.00 0.00 177.00 179.26 1ukp h SER 353 N 4.10 0.59 0.20 6.66 0.02 -1.96 -0.41 113.55 122.76 1ukp h SER 353 Ca -0.48 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1ukp h SER 353 Cb 1.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ukp h SER 353 CO 0.72 0.25 0.00 -0.90 -1.14 0.00 0.00 176.83 175.77 1ukp n ASP 354 N -4.58 0.60 0.10 3.07 5.75 -1.26 -1.69 116.55 118.54 1ukp n ASP 354 Ca 0.19 0.74 0.12 0.00 -0.01 0.00 0.00 54.79 55.84 1ukp n ASP 354 Cb 0.58 -0.84 0.26 0.00 -1.03 0.00 0.00 41.12 40.10 1ukp n ASP 354 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukp h ALA 355 N 2.07 0.80 -6.45 2.12 0.00 -1.42 -3.48 119.26 112.90 1ukp h ALA 355 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1ukp h ALA 355 Cb 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1ukp h ALA 355 CO 0.00 0.00 -0.82 1.63 0.00 0.00 0.00 179.25 180.06 1ukp n LYS 356 N -2.32 -4.21 -3.11 0.00 4.76 -0.68 -1.61 118.16 110.99 1ukp n LYS 356 Ca 0.04 0.49 -0.39 0.00 -2.87 0.00 0.00 58.31 55.58 1ukp n LYS 356 Cb 0.45 -5.10 -0.06 0.00 -1.84 0.00 0.00 35.03 28.49 1ukp n LYS 356 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ukp s SER 357 N -3.71 7.19 -0.38 4.39 0.15 -1.26 -1.82 113.70 118.26 1ukp s SER 357 Ca 0.44 1.41 0.12 0.00 0.70 0.00 0.00 55.95 58.62 1ukp s SER 357 Cb -0.23 -2.43 0.37 0.00 -1.71 0.00 0.00 66.02 62.02 1ukp s SER 357 CO 0.87 0.19 0.78 0.61 1.20 0.00 0.00 173.24 176.89 1ukp n GLY 358 N 1.88 3.51 0.33 9.45 0.00 -0.57 -4.85 105.19 114.94 1ukp n GLY 358 Ca -0.07 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.26 1ukp n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ukp h PRO 359 N 2.99 0.84 -0.10 1.61 0.13 -1.91 -0.81 132.00 134.75 1ukp h PRO 359 Ca 0.08 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1ukp h PRO 359 Cb 0.96 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1ukp h PRO 359 CO 0.53 0.55 0.02 1.96 -0.23 0.00 0.00 178.00 180.83 1ukp h GLN 360 N 0.86 0.06 -0.44 0.86 4.20 -1.89 -0.22 115.11 118.55 1ukp h GLN 360 Ca 0.44 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.06 1ukp h GLN 360 Cb 0.42 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1ukp h GLN 360 CO -0.26 0.04 -0.07 0.93 -0.67 0.00 0.00 178.83 178.79 1ukp h GLU 361 N 0.06 0.76 -0.05 1.46 3.07 -1.87 -2.35 114.58 115.66 1ukp h GLU 361 Ca 0.04 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1ukp h GLU 361 Cb 0.04 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1ukp h GLU 361 CO -0.06 0.82 0.02 1.25 -1.40 0.00 0.00 179.01 179.64 1ukp h LEU 362 N 0.70 0.08 -0.38 1.33 5.85 -0.78 -1.60 115.31 120.51 1ukp h LEU 362 Ca 0.13 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1ukp h LEU 362 Cb 0.54 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1ukp h LEU 362 CO 0.03 0.23 0.12 0.58 -0.34 0.00 0.00 178.44 179.06 1ukp h VAL 363 N -0.08 0.87 -0.91 1.05 2.07 -0.98 -1.14 116.25 117.14 1ukp h VAL 363 Ca 0.02 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1ukp h VAL 363 Cb 0.18 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1ukp h VAL 363 CO -0.00 0.05 0.59 1.56 0.02 0.00 0.00 177.57 179.79 1ukp h GLN 364 N 0.27 1.02 0.06 1.57 4.20 -1.27 -0.40 115.11 120.55 1ukp h GLN 364 Ca 0.17 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ukp h GLN 364 Cb 0.16 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1ukp h GLN 364 CO -0.19 0.67 -0.03 0.37 -0.67 0.00 0.00 178.83 178.99 1ukp h GLN 365 N 1.05 -0.07 -0.09 1.46 4.15 -0.55 -2.01 115.11 119.05 1ukp h GLN 365 Ca 0.39 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1ukp h GLN 365 Cb 0.17 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1ukp h GLN 365 CO -0.14 0.36 0.05 0.28 -1.93 0.00 0.00 178.83 177.45 1ukp h VAL 366 N -0.53 1.04 -0.26 2.39 2.07 -1.03 -0.85 116.25 119.08 1ukp h VAL 366 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1ukp h VAL 366 Cb 0.47 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ukp h VAL 366 CO 0.01 0.04 0.14 -0.07 0.02 0.00 0.00 177.57 177.71 1ukp h LEU 367 N 0.10 0.32 -0.63 2.57 4.07 -1.16 -1.28 115.31 119.29 1ukp h LEU 367 Ca 0.03 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 57.91 1ukp h LEU 367 Cb 0.01 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1ukp h LEU 367 CO -0.01 0.32 0.41 0.28 -1.08 0.00 0.00 178.44 178.36 1ukp h SER 368 N 0.30 0.71 -0.44 -0.43 0.02 -1.27 -0.85 113.55 111.60 1ukp h SER 368 Ca 0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ukp h SER 368 Cb 0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1ukp h SER 368 CO -0.01 0.51 0.28 1.23 -1.14 0.00 0.00 176.83 177.70 1ukp h GLY 369 N 0.84 0.62 0.83 -3.77 0.00 -0.97 -0.43 103.07 100.19 1ukp h GLY 369 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1ukp h GLY 369 CO -0.05 0.24 -0.01 -1.33 0.00 0.00 0.00 176.54 175.39 1ukp h GLY 370 N 0.59 0.10 2.00 4.60 0.00 -0.71 -2.15 103.07 107.50 1ukp h GLY 370 Ca 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1ukp h GLY 370 CO -0.03 -0.02 -0.16 1.49 0.00 0.00 0.00 176.54 177.82 1ukp h TRP 371 N 0.03 0.00 -0.01 5.60 6.55 -0.90 -1.57 115.95 125.64 1ukp h TRP 371 Ca 0.05 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.78 1ukp h TRP 371 Cb 0.06 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 1ukp h TRP 371 CO -0.14 0.16 -0.52 0.00 -1.05 0.00 0.00 178.44 176.89 1ukp h ARG 372 N 0.00 0.04 -0.31 0.49 3.08 -0.47 -2.12 114.38 115.08 1ukp h ARG 372 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ukp h ARG 372 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1ukp h ARG 372 CO 0.02 0.55 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 1ukp n GLU 373 N -3.92 1.83 -3.64 0.04 -0.58 -0.64 -4.95 120.64 108.79 1ukp n GLU 373 Ca -0.01 -1.28 -0.22 0.00 -0.42 0.00 0.00 57.16 55.22 1ukp n GLU 373 Cb 0.54 -1.32 0.06 0.00 -0.57 0.00 0.00 31.44 30.15 1ukp n GLU 373 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1ukp n TYR 374 N 0.52 -2.33 -4.50 -0.32 4.01 -0.80 -4.90 117.16 108.85 1ukp n TYR 374 Ca 0.14 0.93 -0.25 0.00 -0.16 0.00 0.00 57.90 58.56 1ukp n TYR 374 Cb 0.32 -4.69 -0.10 0.00 -0.31 0.00 0.00 39.34 34.55 1ukp n TYR 374 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1ukp s ILE 375 N -3.42 2.23 0.32 -0.72 -4.36 -0.90 -5.03 121.20 109.32 1ukp s ILE 375 Ca 0.28 -2.26 -0.23 0.00 -0.26 0.00 0.00 60.65 58.18 1ukp s ILE 375 Cb -0.13 -2.50 -0.10 0.00 1.25 0.00 0.00 42.46 40.98 1ukp s ILE 375 CO 0.77 -0.28 0.89 -0.13 0.24 0.00 0.00 174.94 176.42 1ukp s ARG 376 N -3.59 4.42 -0.08 0.37 0.52 -1.26 -4.31 118.95 115.02 1ukp s ARG 376 Ca 0.31 1.16 0.01 0.00 -0.52 0.00 0.00 55.73 56.69 1ukp s ARG 376 Cb 0.00 -2.69 0.02 0.00 0.52 0.00 0.00 34.95 32.80 1ukp s ARG 376 CO 0.15 0.25 -0.08 0.08 0.02 0.00 0.00 175.30 175.72 1ukp s VAL 377 N -1.71 0.94 0.49 3.52 1.01 -1.26 -1.70 120.40 121.69 1ukp s VAL 377 Ca 0.51 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1ukp s VAL 377 Cb -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ukp s VAL 377 CO 0.21 0.33 0.09 0.00 0.00 0.00 0.00 175.10 175.73 1ukp s ALA 378 N 1.19 3.99 0.13 5.51 0.00 0.09 -0.41 121.76 132.26 1ukp s ALA 378 Ca -0.05 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 1ukp s ALA 378 Cb -0.14 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 22.93 1ukp s ALA 378 CO -0.02 -0.12 0.98 0.20 0.00 0.00 0.00 175.76 176.80 1ukp s GLY 379 N -3.93 -0.26 0.22 0.00 0.00 -1.07 -0.35 107.32 101.93 1ukp s GLY 379 Ca 0.18 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1ukp s GLY 379 CO 0.10 0.03 0.04 -0.54 0.00 0.00 0.00 173.10 172.73 1ukp s GLU 380 N -3.21 1.28 0.20 2.90 2.02 -0.51 -1.31 118.70 120.07 1ukp s GLU 380 Ca 0.12 -1.66 -0.20 0.00 0.02 0.00 0.00 54.97 53.25 1ukp s GLU 380 Cb -0.01 -0.31 -0.08 0.00 0.10 0.00 0.00 34.13 33.83 1ukp s GLU 380 CO 0.01 -0.20 0.72 0.54 0.02 0.00 0.00 175.26 176.35 1ukp s ASN 381 N -3.26 7.11 -0.03 -0.19 4.22 -1.25 -2.24 114.94 119.31 1ukp s ASN 381 Ca 0.31 1.44 -0.24 0.00 -2.14 0.00 0.00 52.86 52.24 1ukp s ASN 381 Cb 0.07 -2.43 -0.21 0.00 1.28 0.00 0.00 41.25 39.96 1ukp s ASN 381 CO 0.09 0.07 1.14 0.00 -2.04 0.00 0.00 177.10 176.37 1ukp h ALA 382 N 3.62 0.07 -2.51 3.54 0.00 -1.90 -3.43 119.26 118.65 1ukp h ALA 382 Ca -0.48 -0.39 -0.59 0.00 0.00 0.00 0.00 54.91 53.45 1ukp h ALA 382 Cb 1.20 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1ukp h ALA 382 CO 0.65 0.03 -0.77 -0.51 0.00 0.00 0.00 179.25 178.65 1ukp s LEU 383 N -8.77 2.53 0.21 0.00 1.43 -1.26 -4.99 118.68 107.83 1ukp s LEU 383 Ca -0.15 -0.97 -0.32 0.00 -1.03 0.00 0.00 54.13 51.65 1ukp s LEU 383 Cb 0.02 -1.03 -0.12 0.00 0.03 0.00 0.00 46.19 45.09 1ukp s LEU 383 CO 0.73 0.02 1.72 -2.84 0.23 0.00 0.00 176.35 176.21 1ukp s PRO 384 N -3.26 4.13 -0.06 1.29 0.02 -1.26 -4.99 135.00 130.87 1ukp s PRO 384 Ca 0.25 2.60 -0.07 0.00 0.02 0.00 0.00 61.00 63.81 1ukp s PRO 384 Cb -0.05 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.41 1ukp s PRO 384 CO 0.12 -0.75 0.18 1.03 -0.33 0.00 0.00 177.00 177.25 1ukp s ARG 385 N 1.15 0.27 0.00 5.54 1.81 -1.26 -5.04 118.95 121.41 1ukp s ARG 385 Ca 0.74 0.15 0.00 0.00 -1.72 0.00 0.00 55.73 54.91 1ukp s ARG 385 Cb -0.50 0.12 0.00 0.00 -0.45 0.00 0.00 34.95 34.13 1ukp s ARG 385 CO 0.32 -0.04 0.31 0.66 -0.68 0.00 0.00 175.30 175.87 1ukp n TYR 386 N 2.72 0.00 -2.98 -0.53 4.01 -1.26 -5.00 117.16 114.11 1ukp n TYR 386 Ca -0.14 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.30 1ukp n TYR 386 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 1ukp n TYR 386 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1ukp s ASP 387 N -0.07 6.53 0.28 7.72 -4.77 -1.26 -4.86 116.67 120.25 1ukp s ASP 387 Ca 0.00 1.06 -0.03 0.00 -3.30 0.00 0.00 52.55 50.28 1ukp s ASP 387 Cb 0.00 -2.29 0.38 0.00 -1.09 0.00 0.00 42.92 39.91 1ukp s ASP 387 CO 0.00 -0.33 1.92 0.00 0.70 0.00 0.00 175.17 177.45 1ukp h ALA 388 N 1.46 1.32 -0.67 2.11 0.00 -1.98 -2.57 119.26 118.93 1ukp h ALA 388 Ca -0.47 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.42 1ukp h ALA 388 Cb 1.19 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1ukp h ALA 388 CO 0.64 0.58 0.33 1.15 0.00 0.00 0.00 179.25 181.96 1ukp h THR 389 N 1.12 0.86 -0.51 0.00 2.02 -1.99 0.62 112.91 115.02 1ukp h THR 389 Ca 0.29 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ukp h THR 389 Cb -0.03 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1ukp h THR 389 CO -0.05 0.11 0.02 0.00 0.37 0.00 0.00 175.52 175.96 1ukp h ALA 390 N 1.40 0.68 -0.59 6.16 0.00 -1.75 -2.69 119.26 122.47 1ukp h ALA 390 Ca 0.33 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ukp h ALA 390 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ukp h ALA 390 CO -0.25 0.47 0.06 1.88 0.00 0.00 0.00 179.25 181.42 1ukp h TYR 391 N 0.75 1.04 -0.57 0.00 0.05 -1.07 -2.41 116.97 114.76 1ukp h TYR 391 Ca 0.15 -0.14 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1ukp h TYR 391 Cb 0.49 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1ukp h TYR 391 CO 0.04 0.90 0.16 -0.91 -1.05 0.00 0.00 178.16 177.30 1ukp h ASN 392 N 0.92 0.80 -0.53 3.88 2.35 -0.79 -0.37 115.58 121.83 1ukp h ASN 392 Ca 0.18 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1ukp h ASN 392 Cb 0.44 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1ukp h ASN 392 CO 0.02 0.76 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.91 1ukp h GLN 393 N 0.83 1.00 0.06 0.81 5.75 -1.21 -0.46 115.11 121.89 1ukp h GLN 393 Ca 0.19 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1ukp h GLN 393 Cb 0.26 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1ukp h GLN 393 CO -0.01 1.00 -0.03 0.82 -2.65 0.00 0.00 178.83 177.96 1ukp h ILE 394 N 0.91 1.03 -0.94 2.39 2.04 -0.89 -1.77 117.51 120.27 1ukp h ILE 394 Ca 0.16 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1ukp h ILE 394 Cb 0.58 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 1ukp h ILE 394 CO 0.03 0.07 0.60 0.40 0.00 0.00 0.00 178.15 179.26 1ukp h ILE 395 N -0.20 1.02 -0.09 -0.67 2.04 -0.92 0.76 117.51 119.45 1ukp h ILE 395 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1ukp h ILE 395 Cb 0.18 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1ukp h ILE 395 CO 0.01 0.18 0.05 0.25 0.00 0.00 0.00 178.15 178.65 1ukp h LEU 396 N 1.01 0.08 -1.35 1.44 5.85 -0.68 -2.56 115.31 119.09 1ukp h LEU 396 Ca 0.42 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.08 1ukp h LEU 396 Cb 0.30 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ukp h LEU 396 CO -0.18 0.06 -0.28 0.78 -0.34 0.00 0.00 178.44 178.48 1ukp h ASN 397 N 0.10 0.00 0.36 1.25 2.35 -0.41 -1.95 115.58 117.29 1ukp h ASN 397 Ca 0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1ukp h ASN 397 Cb -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ukp h ASN 397 CO -0.02 0.28 -0.41 0.00 -1.65 0.00 0.00 177.43 175.64 1ukp h ALA 398 N 1.72 1.27 -2.06 -0.83 0.00 -0.49 -3.35 119.26 115.51 1ukp h ALA 398 Ca -0.00 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 54.01 1ukp h ALA 398 Cb 0.63 -0.07 -0.34 0.00 0.00 0.00 0.00 17.79 18.01 1ukp h ALA 398 CO 0.04 0.54 -0.90 0.54 0.00 0.00 0.00 179.25 179.46 1ukp n ARG 399 N -4.04 0.30 -0.36 0.00 1.74 -1.06 -0.35 116.66 112.88 1ukp n ARG 399 Ca -0.02 -2.97 0.27 0.00 -0.77 0.00 0.00 57.85 54.37 1ukp n ARG 399 Cb 0.45 -1.59 0.53 0.00 -1.02 0.00 0.00 32.46 30.83 1ukp n ARG 399 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ukp h PRO 400 N 5.35 0.28 -0.42 5.56 0.11 -1.49 0.84 132.00 142.22 1ukp h PRO 400 Ca 0.21 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 1ukp h PRO 400 Cb 0.94 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.90 1ukp h PRO 400 CO 0.32 0.19 0.06 1.04 -0.21 0.00 0.00 178.00 179.39 1ukp n GLN 401 N -4.80 2.56 0.00 1.05 6.02 -1.26 -1.79 117.38 119.16 1ukp n GLN 401 Ca 0.31 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.27 1ukp n GLN 401 Cb 1.07 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1ukp n GLN 401 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ukp n GLY 402 N -0.75 -1.14 3.81 1.08 0.00 0.29 -4.86 105.19 103.61 1ukp n GLY 402 Ca 0.32 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1ukp n GLY 402 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukp s VAL 403 N 0.00 3.97 -0.19 1.61 1.01 -1.26 -4.58 120.40 120.95 1ukp s VAL 403 Ca 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1ukp s VAL 403 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1ukp s VAL 403 CO 0.00 -0.37 -0.11 0.21 0.00 0.00 0.00 175.10 174.83 1ukp s ASN 404 N -2.34 3.86 0.51 3.32 2.47 -1.26 -4.96 114.94 116.54 1ukp s ASN 404 Ca 0.65 -0.47 0.32 0.00 0.42 0.00 0.00 52.86 53.78 1ukp s ASN 404 Cb -0.14 -1.63 1.26 0.00 -1.45 0.00 0.00 41.25 39.28 1ukp s ASN 404 CO 0.24 0.02 1.93 0.78 -3.72 0.00 0.00 177.10 176.35 1ukp h ASN 405 N 7.82 0.00 -1.34 -4.21 2.35 -1.95 -3.31 115.58 114.94 1ukp h ASN 405 Ca -0.40 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.82 1ukp h ASN 405 Cb 1.16 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 39.12 1ukp h ASN 405 CO 0.60 0.00 -0.84 0.59 -1.65 0.00 0.00 177.43 176.14 1ukp n ASN 406 N -3.01 4.00 0.00 5.81 5.03 -1.26 -4.34 115.26 121.49 1ukp n ASN 406 Ca 0.01 -3.48 0.00 0.00 0.87 0.00 0.00 54.58 51.98 1ukp n ASN 406 Cb 0.32 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 1ukp n ASN 406 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ukp n GLY 407 N -0.41 0.86 3.73 7.41 0.00 -1.25 -4.96 105.19 110.57 1ukp n GLY 407 Ca 0.33 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1ukp n GLY 407 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ukp s PRO 408 N -1.27 1.99 0.64 1.61 0.04 -1.26 -4.41 135.00 132.33 1ukp s PRO 408 Ca 0.00 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1ukp s PRO 408 Cb 0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1ukp s PRO 408 CO 0.00 -1.89 1.16 -0.35 0.04 0.00 0.00 177.00 175.96 1ukp n PRO 409 N -3.29 1.01 -0.33 0.56 -0.04 -1.26 -4.73 135.00 126.91 1ukp n PRO 409 Ca 0.11 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1ukp n PRO 409 Cb 0.52 -2.38 0.18 0.00 -0.04 0.00 0.00 33.50 31.77 1ukp n PRO 409 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ukp h LYS 410 N 0.47 1.16 -3.75 0.54 6.56 -1.90 -3.42 116.57 116.24 1ukp h LYS 410 Ca -0.50 -0.07 -0.21 0.00 -1.06 0.00 0.00 60.65 58.81 1ukp h LYS 410 Cb 1.35 -0.26 -0.26 0.00 -0.57 0.00 0.00 32.23 32.49 1ukp h LYS 410 CO 0.52 0.77 -0.70 -0.51 -2.06 0.00 0.00 179.45 177.47 1ukp s LEU 411 N -10.06 1.99 -0.21 2.94 1.43 -1.26 -5.08 118.68 108.44 1ukp s LEU 411 Ca -0.12 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1ukp s LEU 411 Cb 0.19 0.08 0.12 0.00 0.03 0.00 0.00 46.19 46.60 1ukp s LEU 411 CO 0.81 -0.07 0.98 -0.94 0.23 0.00 0.00 176.35 177.35 1ukp s SER 412 N -0.32 -0.44 0.61 2.29 1.04 -1.26 -4.06 113.70 111.56 1ukp s SER 412 Ca -0.04 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 56.91 1ukp s SER 412 Cb -0.02 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1ukp s SER 412 CO -0.00 -0.28 1.05 -0.04 0.98 0.00 0.00 173.24 174.95 1ukp s MET 413 N -0.50 3.32 0.32 4.02 -1.94 0.53 -4.81 119.30 120.23 1ukp s MET 413 Ca -0.00 1.09 0.16 0.00 -1.71 0.00 0.00 55.69 55.22 1ukp s MET 413 Cb -0.02 -2.04 0.42 0.00 2.01 0.00 0.00 34.83 35.20 1ukp s MET 413 CO -0.01 -0.80 1.61 0.35 -0.01 0.00 0.00 175.02 176.16 1ukp h PHE 414 N 0.18 0.00 0.00 -0.03 3.57 -1.07 -3.48 116.94 116.11 1ukp h PHE 414 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1ukp h PHE 414 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1ukp h PHE 414 CO 0.60 0.50 0.00 0.41 -2.23 0.00 0.00 178.31 177.59 1ukp n GLY 415 N 0.56 0.36 2.89 2.40 0.00 -1.26 -4.50 105.19 105.64 1ukp n GLY 415 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1ukp n GLY 415 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukp s VAL 416 N -2.00 0.35 -0.20 1.61 1.01 -0.93 -2.60 120.40 117.64 1ukp s VAL 416 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1ukp s VAL 416 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1ukp s VAL 416 CO 0.00 0.15 -0.11 -0.89 0.00 0.00 0.00 175.10 174.25 1ukp s THR 417 N 0.51 2.88 -0.07 3.92 2.01 -0.43 -0.70 115.64 123.76 1ukp s THR 417 Ca -0.06 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1ukp s THR 417 Cb -0.09 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1ukp s THR 417 CO -0.01 0.47 0.61 -0.47 -0.69 0.00 0.00 174.62 174.54 1ukp s TYR 418 N 1.32 3.58 -0.24 4.92 5.04 0.27 -3.86 117.35 128.38 1ukp s TYR 418 Ca 0.04 1.13 -0.08 0.00 -2.44 0.00 0.00 57.07 55.72 1ukp s TYR 418 Cb -0.14 -2.69 -0.03 0.00 0.35 0.00 0.00 41.96 39.45 1ukp s TYR 418 CO -0.06 0.17 0.09 -1.17 -1.34 0.00 0.00 175.55 173.24 1ukp s LEU 419 N 0.54 3.61 0.09 6.97 0.20 -1.26 -1.18 118.68 127.64 1ukp s LEU 419 Ca 0.33 -0.12 -0.14 0.00 0.69 0.00 0.00 54.13 54.88 1ukp s LEU 419 Cb -0.17 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1ukp s LEU 419 CO 0.16 -0.00 0.34 -0.60 -0.29 0.00 0.00 176.35 175.95 1ukp s ARG 420 N 1.43 0.95 0.19 1.98 3.52 -1.26 -4.56 118.95 121.20 1ukp s ARG 420 Ca 0.06 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 1ukp s ARG 420 Cb -0.15 0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 33.57 1ukp s ARG 420 CO 0.05 -0.34 1.32 -1.17 -0.81 0.00 0.00 175.30 174.35 1ukp s LEU 421 N -2.58 4.41 0.13 -0.88 2.96 0.58 -4.84 118.68 118.45 1ukp s LEU 421 Ca 0.01 2.40 -0.26 0.00 -0.22 0.00 0.00 54.13 56.06 1ukp s LEU 421 Cb 0.02 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.17 1ukp s LEU 421 CO -0.09 -0.55 0.99 -0.94 -1.32 0.00 0.00 176.35 174.44 1ukp s SER 422 N 0.43 -0.17 0.49 3.68 1.04 -1.26 -3.97 113.70 113.94 1ukp s SER 422 Ca 0.58 -0.35 0.26 0.00 0.48 0.00 0.00 55.95 56.92 1ukp s SER 422 Cb -0.37 0.45 1.24 0.00 0.10 0.00 0.00 66.02 67.44 1ukp s SER 422 CO 0.37 -0.82 1.97 0.44 0.98 0.00 0.00 173.24 176.18 1ukp h ASP 423 N 2.00 0.00 -0.39 7.02 3.32 -1.99 -2.51 116.42 123.88 1ukp h ASP 423 Ca -0.24 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1ukp h ASP 423 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1ukp h ASP 423 CO 0.26 0.16 -0.01 0.44 -1.72 0.00 0.00 179.24 178.37 1ukp h ASP 424 N 0.00 0.75 -0.03 6.45 3.45 -1.96 -1.98 116.42 123.11 1ukp h ASP 424 Ca -0.00 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.22 1ukp h ASP 424 Cb 0.51 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1ukp h ASP 424 CO 0.02 0.82 -0.12 0.25 -1.57 0.00 0.00 179.24 178.64 1ukp h LEU 425 N 0.73 0.30 0.00 1.55 5.85 -1.77 -2.63 115.31 119.33 1ukp h LEU 425 Ca 0.14 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ukp h LEU 425 Cb 0.46 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ukp h LEU 425 CO 0.02 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 1ukp n LEU 426 N -4.25 0.00 -4.74 2.25 4.32 -0.77 -2.17 117.00 111.63 1ukp n LEU 426 Ca -0.00 0.32 -0.37 0.00 -0.02 0.00 0.00 56.01 55.94 1ukp n LEU 426 Cb 0.28 -0.32 0.06 0.00 -1.62 0.00 0.00 43.42 41.82 1ukp n LEU 426 CO 0.39 -0.01 0.92 -1.10 -1.22 0.00 0.00 177.39 176.37 1ukp s GLN 427 N -2.64 2.77 0.16 3.23 -0.21 -0.99 -4.67 119.66 117.32 1ukp s GLN 427 Ca 0.26 2.09 -0.24 0.00 0.02 0.00 0.00 55.36 57.48 1ukp s GLN 427 Cb 0.20 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 32.27 1ukp s GLN 427 CO 0.46 -1.43 1.58 -0.22 -2.12 0.00 0.00 175.29 173.56 1ukp h LYS 428 N 0.85 -0.26 0.63 2.91 3.64 -1.90 0.16 116.57 122.59 1ukp h LYS 428 Ca -0.51 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1ukp h LYS 428 Cb 1.32 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ukp h LYS 428 CO 0.55 -0.18 -0.34 0.77 -2.27 0.00 0.00 179.45 177.98 1ukp h SER 429 N -0.27 -0.82 -0.40 4.20 0.02 -1.94 -1.38 113.55 112.96 1ukp h SER 429 Ca 0.17 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1ukp h SER 429 Cb 0.56 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1ukp h SER 429 CO -0.58 -0.55 0.17 0.78 -1.14 0.00 0.00 176.83 175.51 1ukp h ASN 430 N -0.90 0.23 -0.28 3.07 2.35 -1.78 -2.83 115.58 115.45 1ukp h ASN 430 Ca -0.08 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1ukp h ASN 430 Cb 0.71 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1ukp h ASN 430 CO 0.12 0.17 0.02 0.15 -1.65 0.00 0.00 177.43 176.23 1ukp h PHE 431 N 0.36 0.61 -0.19 1.19 3.57 -0.18 -1.21 116.94 121.08 1ukp h PHE 431 Ca 0.18 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1ukp h PHE 431 Cb 0.12 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1ukp h PHE 431 CO -0.12 0.58 -0.28 -0.91 -2.23 0.00 0.00 178.31 175.35 1ukp h ASN 432 N 0.56 0.37 0.19 0.41 2.35 -1.01 -0.13 115.58 118.32 1ukp h ASN 432 Ca 0.12 -0.13 -0.21 0.00 -0.55 0.00 0.00 56.30 55.53 1ukp h ASN 432 Cb 0.34 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1ukp h ASN 432 CO 0.01 0.65 -0.84 0.40 -1.65 0.00 0.00 177.43 176.00 1ukp h ILE 433 N 0.33 1.36 -0.59 2.81 2.04 -1.30 -2.99 117.51 119.16 1ukp h ILE 433 Ca 0.05 -2.22 -0.03 0.00 1.00 0.00 0.00 64.86 63.66 1ukp h ILE 433 Cb 0.67 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1ukp h ILE 433 CO 0.05 0.67 0.27 0.15 0.00 0.00 0.00 178.15 179.29 1ukp h PHE 434 N 0.32 0.87 -0.84 1.37 3.57 -0.84 -1.86 116.94 119.53 1ukp h PHE 434 Ca -0.06 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.43 1ukp h PHE 434 Cb 1.45 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1ukp h PHE 434 CO 0.06 0.68 0.55 0.87 -2.23 0.00 0.00 178.31 178.24 1ukp h LYS 435 N 0.81 0.98 -0.30 1.11 1.57 -0.99 -1.32 116.57 118.43 1ukp h LYS 435 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1ukp h LYS 435 Cb 0.15 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1ukp h LYS 435 CO -0.02 0.65 -0.27 0.87 -0.57 0.00 0.00 179.45 180.11 1ukp h LYS 436 N 1.00 0.61 -0.57 3.15 1.57 -1.28 -2.10 116.57 118.96 1ukp h LYS 436 Ca 0.34 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1ukp h LYS 436 Cb 0.10 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1ukp h LYS 436 CO -0.11 0.82 0.27 0.35 -0.57 0.00 0.00 179.45 180.21 1ukp h PHE 437 N 0.53 0.82 -0.32 -1.35 3.57 -0.49 -1.73 116.94 117.97 1ukp h PHE 437 Ca 0.07 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ukp h PHE 437 Cb 0.74 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1ukp h PHE 437 CO 0.03 0.64 0.15 0.28 -2.23 0.00 0.00 178.31 177.18 1ukp h VAL 438 N 0.77 1.16 -0.41 1.41 2.07 -1.04 -1.18 116.25 119.04 1ukp h VAL 438 Ca 0.19 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1ukp h VAL 438 Cb 0.13 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1ukp h VAL 438 CO -0.02 0.17 0.13 0.25 0.02 0.00 0.00 177.57 178.12 1ukp h LEU 439 N 0.39 0.13 -0.62 2.57 5.85 -1.14 -1.34 115.31 121.15 1ukp h LEU 439 Ca 0.11 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1ukp h LEU 439 Cb 0.13 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ukp h LEU 439 CO -0.01 0.11 0.12 0.11 -0.34 0.00 0.00 178.44 178.42 1ukp h LYS 440 N 0.29 1.02 0.00 1.25 1.79 -1.17 0.29 116.57 120.04 1ukp h LYS 440 Ca 0.19 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1ukp h LYS 440 Cb 0.19 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1ukp h LYS 440 CO -0.21 0.94 -0.09 0.52 -1.08 0.00 0.00 179.45 179.54 1ukp h MET 441 N 0.93 0.00 -0.41 3.15 2.86 -0.83 0.43 114.93 121.07 1ukp h MET 441 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1ukp h MET 441 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1ukp h MET 441 CO 0.01 0.09 0.00 0.72 1.06 0.00 0.00 176.91 178.78 1ukp n HIS 442 N -4.44 0.48 -3.66 -0.22 8.25 -0.54 -0.95 115.22 114.16 1ukp n HIS 442 Ca -0.03 -0.21 -0.23 0.00 -0.26 0.00 0.00 57.72 56.99 1ukp n HIS 442 Cb 0.16 -0.05 0.06 0.00 1.12 0.00 0.00 29.99 31.28 1ukp n HIS 442 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ukp n ALA 443 N 0.33 -1.67 -0.99 -1.41 0.00 0.14 -1.92 120.51 114.99 1ukp n ALA 443 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ukp n ALA 443 Cb 0.33 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.23 1ukp n ALA 443 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ukp n ASP 444 N -3.02 -4.96 -4.96 0.00 8.00 0.02 -4.85 116.55 106.79 1ukp n ASP 444 Ca -0.14 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.13 1ukp n ASP 444 Cb 0.61 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.12 39.15 1ukp n ASP 444 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ukp s GLN 445 N -1.36 3.46 0.68 -1.24 -1.52 -0.81 -5.03 119.66 113.84 1ukp s GLN 445 Ca 0.00 -0.59 -0.11 0.00 -1.95 0.00 0.00 55.36 52.71 1ukp s GLN 445 Cb 0.00 -2.81 -0.00 0.00 -0.22 0.00 0.00 33.01 29.97 1ukp s GLN 445 CO 0.00 0.34 1.06 -0.51 -0.25 0.00 0.00 175.29 175.93 1ukp s ASP 446 N -3.94 5.63 0.25 5.90 -0.00 -1.26 -4.79 116.67 118.45 1ukp s ASP 446 Ca 0.36 1.39 -0.29 0.00 -0.00 0.00 0.00 52.55 54.01 1ukp s ASP 446 Cb -0.09 -2.30 -0.15 0.00 -0.00 0.00 0.00 42.92 40.38 1ukp s ASP 446 CO 0.31 -1.25 0.96 0.00 -0.00 0.00 0.00 175.17 175.19 1ukp n TYR 447 N -2.99 0.98 -4.08 4.23 4.19 -1.26 -4.97 117.16 113.27 1ukp n TYR 447 Ca 0.07 0.75 -0.27 0.00 3.31 0.00 0.00 57.90 61.75 1ukp n TYR 447 Cb 0.55 -2.21 -0.17 0.00 0.49 0.00 0.00 39.34 38.00 1ukp n TYR 447 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ukp h ALA 449 N 7.90 0.79 -1.95 0.00 0.00 -2.01 -3.43 119.26 120.57 1ukp h ALA 449 Ca -0.32 -0.65 -0.64 0.00 0.00 0.00 0.00 54.91 53.30 1ukp h ALA 449 Cb 1.14 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 1ukp h ALA 449 CO 0.45 0.88 0.34 1.21 0.00 0.00 0.00 179.25 182.14 1ukp s ASN 450 N -6.83 6.30 0.56 0.00 2.47 -1.26 -4.92 114.94 111.26 1ukp s ASN 450 Ca -0.01 -0.53 0.29 0.00 0.42 0.00 0.00 52.86 53.02 1ukp s ASN 450 Cb 0.12 -2.37 1.47 0.00 -1.45 0.00 0.00 41.25 39.01 1ukp s ASN 450 CO 0.78 -1.06 1.93 -0.65 -3.72 0.00 0.00 177.10 174.38 1ukp h PRO 451 N 9.15 0.00 -0.84 0.43 0.11 -1.84 -1.02 132.00 138.00 1ukp h PRO 451 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ukp h PRO 451 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1ukp h PRO 451 CO 1.02 0.00 0.52 0.37 -0.21 0.00 0.00 178.00 179.71 1ukp h GLN 452 N 0.00 1.13 -0.14 1.05 4.15 -1.92 0.13 115.11 119.51 1ukp h GLN 452 Ca 0.27 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.64 1ukp h GLN 452 Cb 1.24 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1ukp h GLN 452 CO -0.00 0.78 0.11 0.87 -1.93 0.00 0.00 178.83 178.66 1ukp h LYS 453 N 1.15 0.00 -0.39 1.69 1.57 -1.56 -2.33 116.57 116.70 1ukp h LYS 453 Ca 0.30 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.82 1ukp h LYS 453 Cb -0.08 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.05 1ukp h LYS 453 CO -0.06 0.00 -0.43 2.48 -0.57 0.00 0.00 179.45 180.87 1ukp n TYR 454 N -4.23 1.36 -3.01 -1.35 0.18 -0.50 -4.02 117.16 105.59 1ukp n TYR 454 Ca 0.00 -1.85 -0.22 0.00 1.88 0.00 0.00 57.90 57.71 1ukp n TYR 454 Cb 0.24 -0.41 0.04 0.00 -0.38 0.00 0.00 39.34 38.82 1ukp n TYR 454 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1ukp n ASN 455 N -0.98 -6.17 -4.09 9.48 5.03 -0.88 -4.85 115.26 112.81 1ukp n ASN 455 Ca 0.33 -0.28 -0.36 0.00 0.87 0.00 0.00 54.58 55.14 1ukp n ASN 455 Cb 0.87 -4.98 -0.08 0.00 -1.02 0.00 0.00 39.78 34.57 1ukp n ASN 455 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1ukp s HIS 456 N -3.19 3.70 0.05 3.10 3.76 0.33 -5.00 115.29 118.04 1ukp s HIS 456 Ca 0.30 -2.95 -0.31 0.00 -0.15 0.00 0.00 55.06 51.95 1ukp s HIS 456 Cb -0.13 -3.18 -0.10 0.00 1.11 0.00 0.00 32.58 30.27 1ukp s HIS 456 CO 0.37 -0.76 1.90 0.00 -0.85 0.00 0.00 174.74 175.41 1ukp n ALA 457 N 2.69 1.66 -2.97 -1.40 0.00 -1.26 -4.24 120.51 115.00 1ukp n ALA 457 Ca 0.17 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1ukp n ALA 457 Cb 0.37 -2.61 -0.09 0.00 0.00 0.00 0.00 19.45 17.12 1ukp n ALA 457 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ukp s ILE 458 N 3.68 4.80 0.15 0.00 -1.09 -1.26 -5.07 121.20 122.41 1ukp s ILE 458 Ca 0.87 -1.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1ukp s ILE 458 Cb -0.50 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1ukp s ILE 458 CO 0.42 -0.48 -0.06 0.42 -1.23 0.00 0.00 174.94 174.01 1ukp s THR 459 N 1.56 0.91 0.18 2.92 -4.23 -1.26 -5.07 115.64 110.65 1ukp s THR 459 Ca 0.03 -2.01 -0.31 0.00 -1.18 0.00 0.00 61.69 58.23 1ukp s THR 459 Cb -0.23 -1.93 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 1ukp s THR 459 CO 0.05 -0.66 1.46 -2.84 -0.54 0.00 0.00 174.62 172.09 1ukp s PRO 460 N -3.83 4.27 0.05 3.99 0.02 -1.26 -4.02 135.00 134.22 1ukp s PRO 460 Ca 0.19 2.25 -0.33 0.00 0.02 0.00 0.00 61.00 63.12 1ukp s PRO 460 Cb 0.04 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.28 1ukp s PRO 460 CO 0.01 -0.48 1.75 -0.11 -0.33 0.00 0.00 177.00 177.84 1ukp n LEU 461 N 3.35 3.42 -4.92 -5.54 7.94 0.20 -4.76 117.00 116.68 1ukp n LEU 461 Ca 0.10 1.02 -0.26 0.00 -1.11 0.00 0.00 56.01 55.76 1ukp n LEU 461 Cb 0.40 -1.43 -0.01 0.00 0.53 0.00 0.00 43.42 42.91 1ukp n LEU 461 CO 0.60 -0.11 0.25 -0.44 -1.11 0.00 0.00 177.39 176.58 1ukp s SER 462 N 2.59 6.33 0.81 1.96 0.01 -1.26 -0.90 113.70 123.24 1ukp s SER 462 Ca 0.85 0.64 -0.11 0.00 1.31 0.00 0.00 55.95 58.64 1ukp s SER 462 Cb -0.65 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 63.55 1ukp s SER 462 CO 0.44 -0.33 1.14 -2.16 0.41 0.00 0.00 173.24 172.73 1ukp s PRO 463 N -4.19 1.77 0.72 12.44 0.04 -1.26 -4.92 135.00 139.60 1ukp s PRO 463 Ca 0.43 1.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 1ukp s PRO 463 Cb -0.10 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1ukp s PRO 463 CO 0.36 -2.05 1.23 -1.12 0.04 0.00 0.00 177.00 175.46 1ukp s SER 464 N -2.78 4.21 0.78 6.66 0.01 -1.26 -4.98 113.70 116.33 1ukp s SER 464 Ca 0.66 2.43 -0.11 0.00 1.31 0.00 0.00 55.95 60.24 1ukp s SER 464 Cb -0.22 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.49 1ukp s SER 464 CO 0.54 -2.26 1.15 0.00 0.41 0.00 0.00 173.24 173.07 1ukp s ALA 465 N -1.85 2.75 0.50 1.44 0.00 0.12 -5.00 121.76 119.73 1ukp s ALA 465 Ca 0.76 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 1ukp s ALA 465 Cb -0.31 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1ukp s ALA 465 CO 0.44 -1.58 0.82 -2.30 0.00 0.00 0.00 175.76 173.15 1ukp n PRO 466 N -3.23 0.92 -1.69 0.00 -0.02 -1.26 -4.89 135.00 124.83 1ukp n PRO 466 Ca 0.08 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1ukp n PRO 466 Cb 0.61 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1ukp n PRO 466 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ukp n LYS 467 N -0.15 1.92 -3.73 -0.52 3.00 -1.26 -4.95 118.16 112.47 1ukp n LYS 467 Ca 0.11 0.68 -0.37 0.00 -0.00 0.00 0.00 58.31 58.73 1ukp n LYS 467 Cb 0.43 -2.31 -0.12 0.00 0.00 0.00 0.00 35.03 33.03 1ukp n LYS 467 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1ukp s ILE 468 N -1.17 4.20 0.38 3.15 1.01 -1.26 -5.08 121.20 122.44 1ukp s ILE 468 Ca 0.59 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 1ukp s ILE 468 Cb -0.54 -3.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 1ukp s ILE 468 CO 0.59 0.12 1.35 -0.81 0.00 0.00 0.00 174.94 176.20 1ukp n PRO 469 N 4.91 2.25 -0.32 2.79 -0.04 -1.26 -4.73 135.00 138.61 1ukp n PRO 469 Ca -0.15 0.79 0.17 0.00 -0.04 0.00 0.00 63.50 64.28 1ukp n PRO 469 Cb 0.49 -2.47 0.35 0.00 -0.04 0.00 0.00 33.50 31.83 1ukp n PRO 469 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1ukp h ILE 470 N 2.53 0.19 -0.09 0.52 6.09 -1.99 0.42 117.51 125.18 1ukp h ILE 470 Ca -0.48 -0.05 -0.04 0.00 -1.37 0.00 0.00 64.86 62.92 1ukp h ILE 470 Cb 1.27 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 1ukp h ILE 470 CO 0.62 0.02 -0.13 1.05 -3.07 0.00 0.00 178.15 176.65 1ukp h GLU 471 N 0.14 0.14 -0.07 2.19 9.09 -1.98 0.46 114.58 124.55 1ukp h GLU 471 Ca 0.62 -0.03 -0.20 0.00 0.05 0.00 0.00 59.36 59.81 1ukp h GLU 471 Cb 1.36 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1ukp h GLU 471 CO -0.74 0.28 -0.79 0.28 0.05 0.00 0.00 179.01 178.09 1ukp h VAL 472 N 0.14 1.37 -0.44 -1.06 2.07 -0.53 -2.63 116.25 115.18 1ukp h VAL 472 Ca 0.03 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.28 1ukp h VAL 472 Cb 0.32 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1ukp h VAL 472 CO 0.02 0.66 -0.00 -0.07 0.02 0.00 0.00 177.57 178.20 1ukp h LEU 473 N 0.30 0.76 -0.01 2.57 3.38 -0.64 -2.77 115.31 118.89 1ukp h LEU 473 Ca -0.05 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ukp h LEU 473 Cb 1.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ukp h LEU 473 CO 0.14 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.73 1ukp n LEU 474 N -4.40 0.01 0.27 1.67 4.77 0.08 -1.56 117.00 117.85 1ukp n LEU 474 Ca -0.00 0.50 0.17 0.00 -0.03 0.00 0.00 56.01 56.65 1ukp n LEU 474 Cb 0.30 -0.50 0.67 0.00 -2.33 0.00 0.00 43.42 41.56 1ukp n LEU 474 CO 0.41 -0.27 0.98 -0.33 -1.33 0.00 0.00 177.39 176.85 1ukp h GLU 475 N 0.00 0.00 0.00 3.23 5.08 -1.16 -2.31 114.58 119.42 1ukp h GLU 475 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ukp h GLU 475 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ukp h GLU 475 CO 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1ukp n ALA 476 N -2.10 2.37 1.00 3.43 0.00 -0.60 -2.75 120.51 121.86 1ukp n ALA 476 Ca 0.01 -0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.44 1ukp n ALA 476 Cb 0.32 -1.40 0.61 0.00 0.00 0.00 0.00 19.45 18.97 1ukp n ALA 476 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ukp n THR 477 N -1.07 0.07 -1.68 0.00 -2.24 -0.87 -4.32 114.28 104.18 1ukp n THR 477 Ca 0.17 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 1ukp n THR 477 Cb 0.11 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1ukp n THR 477 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ukp n LYS 478 N -1.48 2.84 -1.74 -0.78 4.81 -1.11 -0.28 118.16 120.42 1ukp n LYS 478 Ca 0.07 1.03 -0.42 0.00 -0.87 0.00 0.00 58.31 58.13 1ukp n LYS 478 Cb 0.32 -2.96 -0.01 0.00 0.02 0.00 0.00 35.03 32.40 1ukp n LYS 478 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ukp n PRO 479 N 6.40 2.56 -4.02 1.64 -0.02 -1.26 -4.71 135.00 135.59 1ukp n PRO 479 Ca 0.19 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.45 1ukp n PRO 479 Cb 0.39 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 1ukp n PRO 479 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ukp s THR 480 N -0.23 0.27 0.22 3.45 -4.23 -1.26 -5.07 115.64 108.79 1ukp s THR 480 Ca 0.63 -0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.30 1ukp s THR 480 Cb -0.52 -0.31 -0.09 0.00 1.34 0.00 0.00 72.50 72.92 1ukp s THR 480 CO 0.52 -0.18 1.19 -0.13 -0.54 0.00 0.00 174.62 175.48 1ukp s ARG 481 N -0.77 4.51 0.82 3.99 0.52 -1.26 -5.01 118.95 121.75 1ukp s ARG 481 Ca -0.06 1.90 -0.11 0.00 -0.52 0.00 0.00 55.73 56.94 1ukp s ARG 481 Cb -0.05 -3.21 0.08 0.00 0.52 0.00 0.00 34.95 32.29 1ukp s ARG 481 CO -0.00 -0.03 1.09 -1.25 0.02 0.00 0.00 175.30 175.12 1ukp s PRO 482 N -0.67 1.90 0.57 3.54 0.04 -1.26 -5.00 135.00 134.12 1ukp s PRO 482 Ca 0.51 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 1ukp s PRO 482 Cb -0.33 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1ukp s PRO 482 CO 0.39 -1.83 1.13 -0.06 0.04 0.00 0.00 177.00 176.68 1ukp s PHE 483 N -2.96 2.63 0.39 0.56 0.08 -1.26 -4.96 117.98 112.46 1ukp s PHE 483 Ca 0.62 1.54 -0.26 0.00 0.12 0.00 0.00 56.93 58.95 1ukp s PHE 483 Cb -0.17 -3.29 -0.09 0.00 -0.57 0.00 0.00 43.02 38.90 1ukp s PHE 483 CO 0.56 -1.66 1.24 -1.25 -0.10 0.00 0.00 175.22 174.01 1ukp s PRO 484 N -3.42 4.08 0.10 0.24 0.04 -1.26 -5.03 135.00 129.75 1ukp s PRO 484 Ca 0.72 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.85 1ukp s PRO 484 Cb -0.24 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 1ukp s PRO 484 CO 0.30 -0.35 -0.09 -0.46 0.04 0.00 0.00 177.00 176.44 1ukp s TRP 485 N -1.30 2.77 0.59 0.56 -0.11 -1.26 -4.73 118.94 115.46 1ukp s TRP 485 Ca 0.55 -0.14 -0.15 0.00 1.22 0.00 0.00 56.10 57.58 1ukp s TRP 485 Cb -0.35 -1.45 -0.04 0.00 -1.50 0.00 0.00 33.47 30.13 1ukp s TRP 485 CO 0.45 0.43 1.04 -0.51 -4.62 0.00 0.00 176.95 173.74 1ukp s LEU 486 N -2.16 3.47 0.08 5.86 1.43 -0.74 -4.96 118.68 121.67 1ukp s LEU 486 Ca 0.21 1.73 -0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1ukp s LEU 486 Cb -0.11 -4.52 -0.24 0.00 0.03 0.00 0.00 46.19 41.35 1ukp s LEU 486 CO 0.14 -1.07 1.17 -0.78 0.23 0.00 0.00 176.35 176.04 1ukp h ASP 487 N 0.38 0.54 -4.06 2.29 3.58 -2.00 -3.45 116.42 113.70 1ukp h ASP 487 Ca -0.46 -0.52 -0.21 0.00 0.42 0.00 0.00 57.03 56.25 1ukp h ASP 487 Cb 1.21 -0.17 -0.26 0.00 1.72 0.00 0.00 39.33 41.83 1ukp h ASP 487 CO 0.58 1.38 -0.70 -1.61 -2.88 0.00 0.00 179.24 176.01 1ukp s GLU 488 N -2.85 0.09 0.81 0.28 2.02 -1.26 -5.15 118.70 112.64 1ukp s GLU 488 Ca -0.05 -0.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.68 1ukp s GLU 488 Cb 0.07 0.03 0.08 0.00 0.10 0.00 0.00 34.13 34.42 1ukp s GLU 488 CO 0.89 -0.01 1.13 -0.08 0.02 0.00 0.00 175.26 177.20 1ukp s THR 489 N -0.38 2.74 -2.67 3.63 -1.32 -1.26 -4.94 115.64 111.45 1ukp s THR 489 Ca -0.04 0.26 0.25 0.00 -1.21 0.00 0.00 61.69 60.95 1ukp s THR 489 Cb -0.03 -2.58 0.38 0.00 -1.51 0.00 0.00 72.50 68.76 1ukp s THR 489 CO -0.00 -0.29 1.48 -0.90 -2.21 0.00 0.00 174.62 172.70 1ukp n ASP 490 N -3.62 2.38 -3.02 8.08 5.75 -1.26 -4.41 116.55 120.46 1ukp n ASP 490 Ca 0.11 -1.79 -0.23 0.00 -0.01 0.00 0.00 54.79 52.86 1ukp n ASP 490 Cb 0.52 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 1ukp n ASP 490 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ukp n MET 491 N 0.84 2.39 -2.10 0.11 2.81 -1.26 -5.02 117.12 114.88 1ukp n MET 491 Ca 0.17 -4.30 -0.37 0.00 -1.81 0.00 0.00 57.70 51.39 1ukp n MET 491 Cb 0.48 -2.03 0.01 0.00 -0.71 0.00 0.00 33.22 30.97 1ukp n MET 491 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ukp s LYS 492 N -3.09 3.42 0.21 0.03 1.02 -1.26 -4.88 119.74 115.18 1ukp s LYS 492 Ca 0.45 1.87 0.19 0.00 0.02 0.00 0.00 55.97 58.50 1ukp s LYS 492 Cb 0.31 -2.23 0.87 0.00 -0.52 0.00 0.00 37.83 36.26 1ukp s LYS 492 CO -0.12 -0.86 1.58 1.33 -0.92 0.00 0.00 175.35 176.37 1ukp n VAL 493 N -0.92 1.04 0.00 3.17 0.24 -1.26 -4.27 118.33 116.33 1ukp n VAL 493 Ca 0.10 0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.80 1ukp n VAL 493 Cb 0.48 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 1ukp n VAL 493 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ukp n ASP 494 N -2.05 0.00 -0.71 -1.34 10.43 -1.26 -4.93 116.55 116.69 1ukp n ASP 494 Ca 0.01 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.46 1ukp n ASP 494 Cb 0.14 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.17 1ukp n ASP 494 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74