#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 -2.10 114.93 114.99 1ukp h MET 7 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 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 -0.24 1.25 1.06 0.00 0.00 176.91 178.98 1ukp h LEU 8 N 0.00 0.00 -0.12 1.22 5.85 -1.88 -0.25 115.31 120.12 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 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ukp h LEU 8 CO 0.00 0.24 0.00 0.18 -0.34 0.00 0.00 178.44 178.52 1ukp n LEU 9 N -3.65 0.43 -0.85 2.25 4.77 -0.79 -2.70 117.00 116.45 1ukp n LEU 9 Ca -0.01 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 1ukp n LEU 9 Cb 0.36 -0.44 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1ukp n LEU 9 CO 0.34 -0.20 0.59 0.59 -1.33 0.00 0.00 177.39 177.37 1ukp n ASN 10 N -1.92 2.77 -4.68 -1.43 3.02 -0.14 -4.32 115.26 108.56 1ukp n ASN 10 Ca 0.05 -1.88 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 1ukp n ASN 10 Cb 0.33 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.75 2.47 -0.20 3.10 6.14 -1.01 -4.56 117.35 121.54 1ukp s TYR 11 Ca 0.25 0.52 -0.02 0.00 0.64 0.00 0.00 57.07 58.46 1ukp s TYR 11 Cb 0.18 -3.79 -0.00 0.00 0.42 0.00 0.00 41.96 38.76 1ukp s TYR 11 CO 0.26 -3.14 -0.08 0.08 0.64 0.00 0.00 175.55 173.31 1ukp s VAL 12 N 3.10 3.08 0.46 3.14 1.01 -0.39 -4.93 120.40 125.87 1ukp s VAL 12 Ca 0.68 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 1ukp s VAL 12 Cb -0.33 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 1ukp s VAL 12 CO 0.28 0.46 1.38 -2.16 0.00 0.00 0.00 175.10 175.05 1ukp s PRO 13 N 1.31 3.62 -0.13 2.72 0.04 -1.26 -4.31 135.00 136.98 1ukp s PRO 13 Ca 0.04 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1ukp s PRO 13 Cb -0.14 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1ukp s PRO 13 CO -0.04 -0.83 -0.16 0.08 0.04 0.00 0.00 177.00 176.09 1ukp s VAL 14 N -1.25 2.77 0.24 -0.36 1.01 -1.26 -2.08 120.40 119.48 1ukp s VAL 14 Ca 0.63 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1ukp s VAL 14 Cb -0.41 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1ukp s VAL 14 CO 0.52 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.65 1ukp s TYR 15 N 0.44 2.35 -0.08 5.22 2.02 0.26 -1.34 117.35 126.21 1ukp s TYR 15 Ca -0.12 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 1ukp s TYR 15 Cb -0.16 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1ukp s TYR 15 CO 0.05 0.62 -0.14 0.08 -1.57 0.00 0.00 175.55 174.59 1ukp s VAL 16 N -2.13 1.31 0.10 0.71 1.01 -0.65 -0.95 120.40 119.80 1ukp s VAL 16 Ca 0.26 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1ukp s VAL 16 Cb -0.06 -1.19 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1ukp s VAL 16 CO 0.14 0.40 1.33 -0.32 0.00 0.00 0.00 175.10 176.64 1ukp s MET 17 N 0.77 4.36 0.80 2.72 1.75 -0.35 -1.66 119.30 127.69 1ukp s MET 17 Ca -0.12 1.97 -0.11 0.00 -1.25 0.00 0.00 55.69 56.18 1ukp s MET 17 Cb -0.16 -3.28 0.07 0.00 2.84 0.00 0.00 34.83 34.31 1ukp s MET 17 CO 0.02 -0.38 1.09 -0.51 -0.65 0.00 0.00 175.02 174.59 1ukp s LEU 18 N 1.08 2.77 0.41 4.11 1.43 -0.44 -0.13 118.68 127.91 1ukp s LEU 18 Ca 0.63 1.63 -0.26 0.00 -1.03 0.00 0.00 54.13 55.10 1ukp s LEU 18 Cb -0.34 -4.26 -0.09 0.00 0.03 0.00 0.00 46.19 41.52 1ukp s LEU 18 CO 0.30 -2.12 1.35 -2.84 0.23 0.00 0.00 176.35 173.27 1ukp s PRO 19 N -4.96 3.91 0.36 1.29 0.02 -1.25 -4.61 135.00 129.75 1ukp s PRO 19 Ca 0.61 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.62 1ukp s PRO 19 Cb -0.17 -2.75 -0.10 0.00 0.02 0.00 0.00 34.50 31.50 1ukp s PRO 19 CO 0.56 -0.58 1.38 -0.51 -0.33 0.00 0.00 177.00 177.52 1ukp s LEU 20 N -2.47 4.35 -0.20 -5.54 1.43 -1.26 -3.08 118.68 111.90 1ukp s LEU 20 Ca 0.57 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 56.51 1ukp s LEU 20 Cb -0.40 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1ukp s LEU 20 CO 0.52 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1ukp n GLY 21 N 0.64 0.52 0.38 -3.19 0.00 -1.26 -4.91 105.19 97.37 1ukp n GLY 21 Ca 0.01 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 0.77 -3.49 1.61 3.04 -1.93 -3.10 116.25 113.15 1ukp h VAL 22 Ca -0.04 -0.11 -0.67 0.00 -1.01 0.00 0.00 66.70 64.87 1ukp h VAL 22 Cb 0.16 0.41 -0.32 0.00 -2.01 0.00 0.00 31.29 29.54 1ukp h VAL 22 CO 0.06 0.06 -0.75 -0.69 -1.01 0.00 0.00 177.57 175.24 1ukp s VAL 23 N -5.33 2.90 1.11 1.51 1.01 -1.26 -3.78 120.40 116.57 1ukp s VAL 23 Ca -0.07 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1ukp s VAL 23 Cb 0.21 -2.46 0.25 0.00 0.00 0.00 0.00 36.38 34.38 1ukp s VAL 23 CO 0.76 0.22 1.15 0.54 0.00 0.00 0.00 175.10 177.76 1ukp s ASN 24 N 1.33 1.71 0.56 3.32 2.20 -0.34 -4.83 114.94 118.89 1ukp s ASN 24 Ca 0.01 0.66 0.37 0.00 -0.94 0.00 0.00 52.86 52.96 1ukp s ASN 24 Cb -0.16 -0.95 1.96 0.00 -2.00 0.00 0.00 41.25 40.10 1ukp s ASN 24 CO -0.04 -3.64 2.14 -0.37 -2.94 0.00 0.00 177.10 172.25 1ukp h VAL 25 N -2.25 0.00 -0.21 3.54 -1.51 -1.90 -0.10 116.25 113.83 1ukp h VAL 25 Ca -0.47 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1ukp h VAL 25 Cb 1.29 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1ukp h VAL 25 CO 0.40 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.21 1ukp n ASP 26 N -2.86 1.62 -2.96 4.19 9.92 -1.26 -4.88 116.55 120.32 1ukp n ASP 26 Ca -0.02 -1.78 -0.14 0.00 -0.53 0.00 0.00 54.79 52.32 1ukp n ASP 26 Cb 0.10 -0.13 0.07 0.00 -0.64 0.00 0.00 41.12 40.52 1ukp n ASP 26 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ukp n ASN 27 N 0.31 -2.41 -4.11 -2.24 2.85 -0.05 -5.04 115.26 104.58 1ukp n ASN 27 Ca 0.15 -0.49 -0.24 0.00 -0.11 0.00 0.00 54.58 53.88 1ukp n ASN 27 Cb 0.30 -4.22 -0.16 0.00 1.24 0.00 0.00 39.78 36.95 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 -3.29 1.23 -1.08 3.44 1.01 -1.25 -4.54 120.40 115.93 1ukp s VAL 28 Ca 0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1ukp s VAL 28 Cb -0.02 -1.06 0.13 0.00 0.00 0.00 0.00 36.38 35.43 1ukp s VAL 28 CO 0.59 0.36 1.34 0.12 0.00 0.00 0.00 175.10 177.51 1ukp s PHE 29 N -0.05 3.15 0.06 5.22 5.36 -1.26 -1.20 117.98 129.26 1ukp s PHE 29 Ca -0.01 -1.62 -0.25 0.00 -0.96 0.00 0.00 56.93 54.09 1ukp s PHE 29 Cb -0.09 -4.40 -0.12 0.00 -0.34 0.00 0.00 43.02 38.07 1ukp s PHE 29 CO 0.01 -1.55 1.40 0.93 -1.46 0.00 0.00 175.22 174.55 1ukp h GLU 30 N 8.21 -0.68 -2.82 10.12 5.08 -1.91 -3.38 114.58 129.20 1ukp h GLU 30 Ca 0.25 0.05 -0.69 0.00 -1.00 0.00 0.00 59.36 57.97 1ukp h GLU 30 Cb 0.95 0.16 -0.36 0.00 0.50 0.00 0.00 28.75 29.99 1ukp h GLU 30 CO 1.23 -0.46 -0.08 -3.47 -1.00 0.00 0.00 179.01 175.24 1ukp n ASP 31 N -4.58 4.51 -0.04 1.42 2.03 -1.26 -4.88 116.55 113.74 1ukp n ASP 31 Ca -0.08 -3.31 -0.09 0.00 0.52 0.00 0.00 54.79 51.82 1ukp n ASP 31 Cb 0.33 -0.95 -0.03 0.00 -0.72 0.00 0.00 41.12 39.75 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 5.20 0.18 -0.75 -0.67 0.11 -1.95 -1.91 132.00 132.20 1ukp h PRO 32 Ca 0.18 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1ukp h PRO 32 Cb 0.71 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1ukp h PRO 32 CO 0.96 0.12 0.38 -0.44 -0.21 0.00 0.00 178.00 178.80 1ukp h ASP 33 N 0.19 0.97 -0.43 -2.05 3.32 -1.96 -0.26 116.42 116.20 1ukp h ASP 33 Ca 0.09 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1ukp h ASP 33 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1ukp h ASP 33 CO -0.08 0.82 -0.19 1.23 -1.72 0.00 0.00 179.24 179.30 1ukp h GLY 34 N 1.05 0.96 1.03 2.75 0.00 -1.94 -2.40 103.07 104.52 1ukp h GLY 34 Ca 0.26 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1ukp h GLY 34 CO -0.04 0.77 0.02 -2.00 0.00 0.00 0.00 176.54 175.30 1ukp h LEU 35 N 0.71 0.92 -0.65 3.11 5.85 -1.17 -2.82 115.31 121.26 1ukp h LEU 35 Ca 0.10 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1ukp h LEU 35 Cb 0.75 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1ukp h LEU 35 CO 0.06 0.99 0.39 0.50 -0.34 0.00 0.00 178.44 180.04 1ukp h LYS 36 N 0.82 0.73 -0.61 1.25 3.64 -0.95 0.17 116.57 121.63 1ukp h LYS 36 Ca 0.16 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1ukp h LYS 36 Cb 0.51 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1ukp h LYS 36 CO 0.02 0.48 0.37 1.49 -2.27 0.00 0.00 179.45 179.55 1ukp h GLU 37 N 0.75 0.71 -0.46 1.90 4.22 -1.31 -0.15 114.58 120.24 1ukp h GLU 37 Ca 0.27 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.61 1ukp h GLU 37 Cb 0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1ukp h GLU 37 CO -0.13 0.47 0.07 1.96 -2.18 0.00 0.00 179.01 179.20 1ukp h GLN 38 N 0.73 0.77 -0.47 1.92 4.20 -1.06 -2.94 115.11 118.26 1ukp h GLN 38 Ca 0.25 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1ukp h GLN 38 Cb 0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1ukp h GLN 38 CO -0.11 0.79 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.77 1ukp h LEU 39 N 0.64 0.74 -1.29 1.46 3.38 -0.23 -2.18 115.31 117.82 1ukp h LEU 39 Ca 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ukp h LEU 39 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1ukp h LEU 39 CO 0.01 0.81 0.27 -0.07 0.09 0.00 0.00 178.44 179.55 1ukp h LEU 40 N 0.72 0.68 -0.41 1.67 3.38 -0.96 -0.43 115.31 119.96 1ukp h LEU 40 Ca 0.14 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1ukp h LEU 40 Cb 0.45 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ukp h LEU 40 CO 0.02 0.57 -0.69 1.56 0.09 0.00 0.00 178.44 179.99 1ukp h GLN 41 N 0.76 0.48 -0.16 1.13 4.20 -1.28 -1.79 115.11 118.45 1ukp h GLN 41 Ca 0.19 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1ukp h GLN 41 Cb 0.06 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1ukp h GLN 41 CO -0.03 0.99 0.06 -0.07 -0.67 0.00 0.00 178.83 179.12 1ukp h LEU 42 N 0.34 0.22 -1.57 1.46 3.38 -0.77 -1.14 115.31 117.23 1ukp h LEU 42 Ca -0.02 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ukp h LEU 42 Cb 1.26 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1ukp h LEU 42 CO 0.12 0.32 0.34 -0.09 0.09 0.00 0.00 178.44 179.22 1ukp h ARG 43 N 0.10 0.54 0.00 1.13 9.65 -1.05 0.56 114.38 125.31 1ukp h ARG 43 Ca 0.05 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1ukp h ARG 43 Cb 0.17 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1ukp h ARG 43 CO -0.00 0.36 -0.20 0.00 2.80 0.00 0.00 179.97 182.92 1ukp h ALA 44 N 1.71 0.97 -0.00 2.80 0.00 -0.66 -2.42 119.26 121.66 1ukp h ALA 44 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ukp h ALA 44 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ukp h ALA 44 CO -0.05 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.31 1ukp n ALA 45 N -2.19 2.66 -0.12 0.00 0.00 0.15 -4.92 120.51 116.09 1ukp n ALA 45 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ukp n ALA 45 Cb 0.46 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.49 0.67 3.70 0.00 0.00 -0.91 -4.80 105.19 105.34 1ukp n GLY 46 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.03 1.67 0.10 1.61 0.31 -1.03 -4.67 118.33 114.29 1ukp n VAL 47 Ca 0.00 -0.42 -0.23 0.00 -0.01 0.00 0.00 64.34 63.69 1ukp n VAL 47 Cb 0.00 -1.58 -0.14 0.00 -0.91 0.00 0.00 33.84 31.21 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 3.13 0.78 -1.01 4.52 5.19 -1.57 -3.43 116.42 124.03 1ukp h ASP 48 Ca -0.46 -0.88 0.00 0.00 -0.62 0.00 0.00 57.03 55.07 1ukp h ASP 48 Cb 1.28 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1ukp h ASP 48 CO 0.67 1.60 0.03 0.61 -3.12 0.00 0.00 179.24 179.03 1ukp n GLY 49 N 1.56 1.66 3.35 2.75 0.00 -1.18 -2.64 105.19 110.68 1ukp n GLY 49 Ca -0.15 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.78 0.80 0.02 1.61 -7.23 -0.03 -1.64 120.40 111.16 1ukp s VAL 50 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1ukp s VAL 50 Cb -0.00 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1ukp s VAL 50 CO 0.01 -0.08 -0.16 -0.32 -0.31 0.00 0.00 175.10 174.23 1ukp s MET 51 N -3.96 1.13 -0.07 4.82 0.00 -0.67 -0.38 119.30 120.17 1ukp s MET 51 Ca 0.35 -0.73 -0.10 0.00 0.00 0.00 0.00 55.69 55.22 1ukp s MET 51 Cb 0.08 -1.14 0.02 0.00 0.00 0.00 0.00 34.83 33.78 1ukp s MET 51 CO 0.13 0.30 0.25 0.54 0.00 0.00 0.00 175.02 176.23 1ukp s VAL 52 N -0.68 0.02 -0.02 10.11 0.11 -0.44 -1.33 120.40 128.18 1ukp s VAL 52 Ca 0.04 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 1ukp s VAL 52 Cb -0.07 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1ukp s VAL 52 CO 0.01 -0.11 0.95 -1.81 -3.33 0.00 0.00 175.10 170.81 1ukp s ASP 53 N -0.39 7.31 -0.99 3.54 1.01 -1.26 -1.13 116.67 124.75 1ukp s ASP 53 Ca -0.05 1.59 -0.08 0.00 0.71 0.00 0.00 52.55 54.72 1ukp s ASP 53 Cb -0.03 -2.55 0.25 0.00 1.01 0.00 0.00 42.92 41.60 1ukp s ASP 53 CO 0.01 -0.28 0.95 -0.69 0.21 0.00 0.00 175.17 175.37 1ukp s VAL 54 N 1.16 5.42 -0.04 -1.27 1.01 0.66 -4.90 120.40 122.44 1ukp s VAL 54 Ca 0.50 -3.39 -0.34 0.00 0.00 0.00 0.00 61.98 58.75 1ukp s VAL 54 Cb -0.20 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.76 1ukp s VAL 54 CO 0.25 -1.12 1.84 0.79 0.00 0.00 0.00 175.10 176.86 1ukp n TRP 55 N 2.81 2.34 -0.21 5.22 7.02 -1.26 -2.63 117.44 130.73 1ukp n TRP 55 Ca 0.21 0.01 -0.02 0.00 -1.02 0.00 0.00 57.50 56.68 1ukp n TRP 55 Cb 0.40 -2.66 0.18 0.00 -2.42 0.00 0.00 31.31 26.81 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 8.79 0.99 0.00 -5.99 7.01 -1.33 -1.77 115.95 123.65 1ukp h TRP 56 Ca -0.48 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.48 1ukp h TRP 56 Cb 1.27 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 28.01 1ukp h TRP 56 CO 0.84 0.72 0.00 0.78 -2.79 0.00 0.00 178.44 177.99 1ukp h GLY 57 N 1.06 0.00 0.00 2.65 0.00 -1.80 -2.55 103.07 102.43 1ukp h GLY 57 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.45 1ukp h GLY 57 CO -0.03 0.00 -1.14 1.39 0.00 0.00 0.00 176.54 176.76 1ukp n ILE 58 N -2.85 1.48 0.01 2.60 5.41 -0.72 -4.27 119.36 121.03 1ukp n ILE 58 Ca -0.01 0.04 -0.10 0.00 1.00 0.00 0.00 62.75 63.68 1ukp n ILE 58 Cb 0.16 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 36.82 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 0.87 -0.91 1.39 1.08 -1.40 -3.19 117.51 114.35 1ukp h ILE 59 Ca -0.20 0.00 -0.61 0.00 -0.39 0.00 0.00 64.86 63.66 1ukp h ILE 59 Cb 0.99 0.87 -0.31 0.00 -3.07 0.00 0.00 36.82 35.30 1ukp h ILE 59 CO -0.12 0.00 0.45 1.21 -0.69 0.00 0.00 178.15 179.00 1ukp n GLU 60 N -5.16 2.80 -0.02 2.37 2.13 -0.97 -2.02 120.64 119.78 1ukp n GLU 60 Ca -0.05 -3.45 -0.17 0.00 0.66 0.00 0.00 57.16 54.15 1ukp n GLU 60 Cb 0.09 -2.25 -0.08 0.00 0.27 0.00 0.00 31.44 29.46 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 1.90 0.74 -0.92 4.31 5.85 -1.73 -3.30 115.31 122.16 1ukp h LEU 61 Ca 0.54 -0.65 0.22 0.00 0.84 0.00 0.00 57.88 58.83 1ukp h LEU 61 Cb 1.19 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 1ukp h LEU 61 CO 1.31 1.28 0.44 0.11 -0.34 0.00 0.00 178.44 181.24 1ukp h LYS 62 N 0.26 0.44 0.00 1.25 6.56 -1.83 -3.42 116.57 119.82 1ukp h LYS 62 Ca -0.05 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1ukp h LYS 62 Cb 1.28 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1ukp h LYS 62 CO 0.13 0.29 0.00 0.41 -2.06 0.00 0.00 179.45 178.22 1ukp n GLY 63 N -1.33 0.58 3.60 3.86 0.00 -1.24 -5.01 105.19 105.64 1ukp n GLY 63 Ca 0.23 -1.18 -0.51 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.91 1.25 -1.79 1.61 -0.02 -1.26 -1.25 135.00 132.63 1ukp n PRO 64 Ca 0.00 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1ukp n PRO 64 Cb 0.00 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.49 -1.59 -3.57 -0.52 5.02 -1.26 -4.91 118.16 113.81 1ukp n LYS 65 Ca 0.18 0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 56.88 1ukp n LYS 65 Cb 0.21 -5.22 -0.07 0.00 -0.02 0.00 0.00 35.03 29.93 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 -3.89 2.82 -0.20 1.97 -0.21 -0.38 -5.06 119.66 114.71 1ukp s GLN 66 Ca 0.00 -2.31 -0.09 0.00 0.02 0.00 0.00 55.36 52.98 1ukp s GLN 66 Cb 0.00 -3.97 -0.05 0.00 1.00 0.00 0.00 33.01 29.99 1ukp s GLN 66 CO 0.00 -1.21 0.10 0.71 -2.12 0.00 0.00 175.29 172.77 1ukp s TYR 67 N 0.38 3.31 -0.36 0.91 2.02 -1.26 -4.25 117.35 118.09 1ukp s TYR 67 Ca 0.14 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 1ukp s TYR 67 Cb -0.19 -2.15 0.10 0.00 -0.40 0.00 0.00 41.96 39.31 1ukp s TYR 67 CO -0.04 0.15 0.10 0.34 -1.57 0.00 0.00 175.55 174.53 1ukp s ASP 68 N 0.57 4.97 0.00 2.29 2.15 -0.86 -4.95 116.67 120.84 1ukp s ASP 68 Ca 0.06 -1.95 0.25 0.00 0.43 0.00 0.00 52.55 51.34 1ukp s ASP 68 Cb -0.12 -1.72 0.46 0.00 -0.30 0.00 0.00 42.92 41.24 1ukp s ASP 68 CO 0.01 -0.42 1.40 0.79 -0.17 0.00 0.00 175.17 176.77 1ukp n TRP 69 N 4.45 0.00 -0.03 -5.34 7.02 -1.26 -4.67 117.44 117.61 1ukp n TRP 69 Ca -0.02 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.32 1ukp n TRP 69 Cb 0.42 -0.02 -0.10 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 2.85 -0.51 -0.65 -0.99 3.08 -1.95 0.80 114.38 117.01 1ukp h ARG 70 Ca 0.00 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1ukp h ARG 70 Cb 0.72 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 1ukp h ARG 70 CO 0.00 -0.34 0.36 0.00 -1.07 0.00 0.00 179.97 178.92 1ukp h ALA 71 N -0.31 0.87 -0.45 0.04 0.00 -1.83 -1.61 119.26 115.97 1ukp h ALA 71 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ukp h ALA 71 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ukp h ALA 71 CO -0.45 0.03 -0.02 1.88 0.00 0.00 0.00 179.25 180.70 1ukp h TYR 72 N 0.66 0.79 -0.45 0.00 0.05 -1.78 -1.37 116.97 114.87 1ukp h TYR 72 Ca 0.29 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 1ukp h TYR 72 Cb 0.19 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1ukp h TYR 72 CO -0.08 0.74 0.19 0.00 -1.05 0.00 0.00 178.16 177.96 1ukp h ARG 73 N 0.69 0.63 -0.36 4.88 3.08 0.06 0.98 114.38 124.34 1ukp h ARG 73 Ca 0.13 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1ukp h ARG 73 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1ukp h ARG 73 CO 0.02 0.51 -0.26 0.77 -1.07 0.00 0.00 179.97 179.93 1ukp h SER 74 N 0.63 0.75 -0.18 7.04 0.02 -0.57 -0.37 113.55 120.86 1ukp h SER 74 Ca 0.16 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1ukp h SER 74 Cb 0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1ukp h SER 74 CO -0.02 0.97 -0.05 0.25 -1.14 0.00 0.00 176.83 176.85 1ukp h LEU 75 N 0.63 0.35 -1.35 5.07 5.85 -0.24 -2.36 115.31 123.26 1ukp h LEU 75 Ca 0.08 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1ukp h LEU 75 Cb 0.77 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1ukp h LEU 75 CO 0.06 0.64 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.60 1ukp h LEU 76 N 0.06 0.25 -0.71 2.25 4.07 -0.70 -1.79 115.31 118.74 1ukp h LEU 76 Ca 0.04 -0.05 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 1ukp h LEU 76 Cb 0.49 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1ukp h LEU 76 CO 0.02 0.42 -0.02 -0.61 -1.08 0.00 0.00 178.44 177.17 1ukp h GLN 77 N 0.25 0.97 -0.35 1.13 5.75 -0.92 -1.85 115.11 120.09 1ukp h GLN 77 Ca 0.05 -0.30 -0.11 0.00 -0.15 0.00 0.00 58.65 58.14 1ukp h GLN 77 Cb 0.40 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1ukp h GLN 77 CO 0.02 0.97 -0.21 1.25 -2.65 0.00 0.00 178.83 178.21 1ukp h LEU 78 N 0.89 0.79 -0.78 -2.39 5.85 -0.89 -1.75 115.31 117.02 1ukp h LEU 78 Ca 0.16 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1ukp h LEU 78 Cb 0.54 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ukp h LEU 78 CO 0.03 1.04 0.51 0.58 -0.34 0.00 0.00 178.44 180.26 1ukp h VAL 79 N 0.55 1.16 -0.39 1.05 2.07 -1.20 -2.00 116.25 117.48 1ukp h VAL 79 Ca 0.07 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1ukp h VAL 79 Cb 0.76 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1ukp h VAL 79 CO 0.06 0.19 0.17 -0.61 0.02 0.00 0.00 177.57 177.39 1ukp h GLN 80 N 1.02 0.58 0.00 1.57 4.15 -1.16 -2.50 115.11 118.77 1ukp h GLN 80 Ca 0.30 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1ukp h GLN 80 Cb -0.05 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1ukp h GLN 80 CO -0.09 0.53 -0.05 0.93 -1.93 0.00 0.00 178.83 178.23 1ukp h GLU 81 N 0.49 0.00 -0.00 1.69 5.08 -0.79 -0.15 114.58 120.91 1ukp h GLU 81 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ukp h GLU 81 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ukp h GLU 81 CO -0.01 0.05 -0.16 0.00 -1.00 0.00 0.00 179.01 177.88 1ukp n GLY 83 N 1.46 0.59 3.37 0.00 0.00 -0.07 -4.93 105.19 105.61 1ukp n GLY 83 Ca 0.08 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.63 2.29 0.60 0.99 1.43 -1.06 -4.97 118.68 116.32 1ukp s LEU 84 Ca 0.06 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1ukp s LEU 84 Cb -0.03 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 45.03 1ukp s LEU 84 CO 0.08 0.18 0.87 0.42 0.23 0.00 0.00 176.35 178.13 1ukp s THR 85 N -1.01 2.89 -0.02 5.49 -4.23 -1.08 -4.36 115.64 113.31 1ukp s THR 85 Ca 0.13 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.28 1ukp s THR 85 Cb -0.10 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1ukp s THR 85 CO 0.05 -0.13 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.69 1ukp s LEU 86 N -4.95 1.81 -0.29 4.79 1.98 0.08 -0.86 118.68 121.24 1ukp s LEU 86 Ca 0.56 -0.18 -0.08 0.00 -2.89 0.00 0.00 54.13 51.55 1ukp s LEU 86 Cb -0.10 -0.52 -0.01 0.00 0.66 0.00 0.00 46.19 46.22 1ukp s LEU 86 CO 0.42 0.07 0.11 -1.10 -1.89 0.00 0.00 176.35 173.96 1ukp s GLN 87 N 0.16 3.31 -0.23 1.98 -0.21 0.48 -1.95 119.66 123.21 1ukp s GLN 87 Ca -0.02 -0.72 -0.09 0.00 0.02 0.00 0.00 55.36 54.54 1ukp s GLN 87 Cb -0.08 -3.46 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 1ukp s GLN 87 CO 0.00 -0.38 0.13 0.00 -2.12 0.00 0.00 175.29 172.92 1ukp s ALA 88 N 1.58 3.49 -0.23 6.09 0.00 -1.00 -1.32 121.76 130.36 1ukp s ALA 88 Ca 0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 1ukp s ALA 88 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1ukp s ALA 88 CO 0.04 -0.20 0.29 0.42 0.00 0.00 0.00 175.76 176.31 1ukp s ILE 89 N 1.08 5.27 -1.00 0.00 1.01 -0.28 -0.84 121.20 126.43 1ukp s ILE 89 Ca 0.06 0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.95 1ukp s ILE 89 Cb -0.14 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1ukp s ILE 89 CO 0.04 0.28 1.37 -0.04 0.00 0.00 0.00 174.94 176.59 1ukp s MET 90 N 1.29 3.60 -0.96 2.79 -1.94 0.39 -0.25 119.30 124.22 1ukp s MET 90 Ca 0.13 -1.33 -0.21 0.00 -1.71 0.00 0.00 55.69 52.58 1ukp s MET 90 Cb -0.14 -5.24 0.09 0.00 2.01 0.00 0.00 34.83 31.55 1ukp s MET 90 CO 0.07 -2.09 1.26 -1.12 -0.01 0.00 0.00 175.02 173.14 1ukp s SER 91 N 4.57 6.56 -0.28 3.03 0.01 -1.08 -1.19 113.70 125.34 1ukp s SER 91 Ca 0.42 -1.77 0.02 0.00 1.31 0.00 0.00 55.95 55.94 1ukp s SER 91 Cb -0.01 -2.47 0.36 0.00 0.21 0.00 0.00 66.02 64.10 1ukp s SER 91 CO -0.09 -1.26 1.61 0.49 0.41 0.00 0.00 173.24 174.39 1ukp n PHE 92 N 7.59 1.76 -4.41 2.43 3.72 -1.26 -0.93 117.46 126.35 1ukp n PHE 92 Ca 0.27 -1.41 -0.21 0.00 -0.05 0.00 0.00 57.45 56.05 1ukp n PHE 92 Cb 0.50 -0.71 -0.10 0.00 -0.94 0.00 0.00 39.48 38.23 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 -1.92 1.73 0.24 1.38 -3.43 -1.26 -4.74 115.29 107.30 1ukp s HIS 93 Ca 0.33 -1.20 -0.26 0.00 -0.80 0.00 0.00 55.06 53.14 1ukp s HIS 93 Cb 0.27 -1.05 -0.09 0.00 -1.43 0.00 0.00 32.58 30.28 1ukp s HIS 93 CO 0.05 -0.29 0.86 -1.14 -2.00 0.00 0.00 174.74 172.22 1ukp s GLN 94 N -3.86 4.58 -0.13 -0.38 0.74 -0.36 -4.67 119.66 115.58 1ukp s GLN 94 Ca 0.33 1.24 -0.13 0.00 0.05 0.00 0.00 55.36 56.85 1ukp s GLN 94 Cb 0.06 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1ukp s GLN 94 CO 0.15 0.43 0.28 0.00 -0.55 0.00 0.00 175.29 175.60 1ukp n GLY 96 N 2.95 0.97 0.00 0.00 0.00 -1.24 -1.45 105.19 106.43 1ukp n GLY 96 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.62 3.92 -0.02 0.00 -1.26 -4.90 105.19 104.55 1ukp n GLY 97 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.86 6.11 0.05 1.61 0.01 -1.26 -4.95 114.94 114.66 1ukp s ASN 98 Ca 0.00 0.04 -0.30 0.00 -0.71 0.00 0.00 52.86 51.88 1ukp s ASN 98 Cb 0.00 -1.76 -0.09 0.00 0.41 0.00 0.00 41.25 39.81 1ukp s ASN 98 CO 0.00 -0.00 1.80 0.54 -1.51 0.00 0.00 177.10 177.93 1ukp s VAL 99 N -1.88 2.98 0.00 1.60 0.11 -1.26 -1.55 120.40 120.41 1ukp s VAL 99 Ca 0.34 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1ukp s VAL 99 Cb -0.10 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1ukp s VAL 99 CO 0.28 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 1ukp n GLY 100 N 4.25 1.88 3.68 6.54 0.00 -1.26 -5.07 105.19 115.21 1ukp n GLY 100 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.34 6.95 -0.07 1.61 -0.00 -0.59 -4.93 116.67 118.29 1ukp s ASP 101 Ca 0.00 1.93 -0.27 0.00 -0.00 0.00 0.00 52.55 54.21 1ukp s ASP 101 Cb 0.00 -2.56 -0.22 0.00 -0.00 0.00 0.00 42.92 40.14 1ukp s ASP 101 CO 0.00 -0.67 1.03 0.40 -0.00 0.00 0.00 175.17 175.93 1ukp h ILE 102 N 5.05 1.50 -3.62 0.77 2.04 -1.98 -3.43 117.51 117.84 1ukp h ILE 102 Ca -0.35 -1.62 -0.66 0.00 1.00 0.00 0.00 64.86 63.23 1ukp h ILE 102 Cb 1.16 2.58 -0.17 0.00 -0.74 0.00 0.00 36.82 39.65 1ukp h ILE 102 CO 0.90 0.41 -0.18 -0.69 0.00 0.00 0.00 178.15 178.59 1ukp s VAL 103 N -3.35 5.09 -0.22 1.67 1.01 -1.26 -5.04 120.40 118.30 1ukp s VAL 103 Ca -0.17 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1ukp s VAL 103 Cb -0.00 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ukp s VAL 103 CO 0.66 -0.21 -0.14 0.20 0.00 0.00 0.00 175.10 175.61 1ukp s ASN 104 N 1.76 3.78 -0.36 3.32 0.01 -1.26 -3.63 114.94 118.57 1ukp s ASN 104 Ca 0.14 -0.86 0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1ukp s ASN 104 Cb -0.16 -1.56 0.11 0.00 0.41 0.00 0.00 41.25 40.05 1ukp s ASN 104 CO 0.13 -0.08 0.13 -0.63 -1.51 0.00 0.00 177.10 175.14 1ukp s ILE 105 N 1.27 1.32 0.82 0.60 1.01 -0.53 -4.93 121.20 120.75 1ukp s ILE 105 Ca 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 60.65 58.61 1ukp s ILE 105 Cb -0.16 -1.97 0.08 0.00 0.01 0.00 0.00 42.46 40.43 1ukp s ILE 105 CO -0.09 -0.72 1.10 -2.16 0.00 0.00 0.00 174.94 173.07 1ukp s PRO 106 N 1.10 1.91 0.98 2.79 0.04 -1.26 -0.20 135.00 140.36 1ukp s PRO 106 Ca 0.12 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 1ukp s PRO 106 Cb -0.20 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.62 1ukp s PRO 106 CO -0.15 -1.74 1.08 0.96 0.04 0.00 0.00 177.00 177.19 1ukp s ILE 107 N -3.13 2.34 0.20 0.56 -4.36 -1.26 -4.15 121.20 111.40 1ukp s ILE 107 Ca 0.61 0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.81 1ukp s ILE 107 Cb -0.15 -2.43 -0.16 0.00 1.25 0.00 0.00 42.46 40.97 1ukp s ILE 107 CO 0.54 -0.15 0.82 -2.65 0.24 0.00 0.00 174.94 173.75 1ukp n PRO 108 N -4.23 0.58 -0.08 0.37 -0.02 -1.26 -4.80 135.00 125.55 1ukp n PRO 108 Ca 0.06 0.20 -0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1ukp n PRO 108 Cb 0.55 -1.44 0.27 0.00 -0.02 0.00 0.00 33.50 32.86 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 1.87 0.71 0.00 -0.52 5.75 -1.89 -1.58 115.11 119.45 1ukp h GLN 109 Ca -0.36 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1ukp h GLN 109 Cb 1.39 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.82 1ukp h GLN 109 CO 0.61 0.61 -0.07 0.11 -2.65 0.00 0.00 178.83 177.44 1ukp h TRP 110 N 0.70 0.00 0.17 3.99 5.08 -1.90 0.13 115.95 124.13 1ukp h TRP 110 Ca 0.17 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.89 1ukp h TRP 110 Cb 0.18 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.37 1ukp h TRP 110 CO 0.01 0.07 -1.08 0.28 -1.28 0.00 0.00 178.44 176.43 1ukp h VAL 111 N 0.00 1.40 -0.47 0.12 2.07 -1.65 -3.15 116.25 114.56 1ukp h VAL 111 Ca -0.00 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 1ukp h VAL 111 Cb 0.27 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1ukp h VAL 111 CO 0.01 0.75 0.21 -0.07 0.02 0.00 0.00 177.57 178.48 1ukp h LEU 112 N -0.10 0.60 -0.71 2.57 3.38 -0.76 -1.13 115.31 119.15 1ukp h LEU 112 Ca -0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ukp h LEU 112 Cb 1.84 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 1ukp h LEU 112 CO 0.20 0.52 0.41 0.44 0.09 0.00 0.00 178.44 180.11 1ukp h ASP 113 N 0.66 0.86 -0.66 -0.43 3.32 -0.83 -0.67 116.42 118.68 1ukp h ASP 113 Ca 0.16 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1ukp h ASP 113 Cb 0.10 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1ukp h ASP 113 CO -0.02 0.69 0.28 0.40 -1.72 0.00 0.00 179.24 178.86 1ukp h ILE 114 N 0.97 1.23 -0.24 0.35 2.04 -1.32 -2.10 117.51 118.44 1ukp h ILE 114 Ca 0.25 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1ukp h ILE 114 Cb -0.01 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1ukp h ILE 114 CO -0.04 0.29 0.07 1.23 0.00 0.00 0.00 178.15 179.70 1ukp h GLY 115 N 1.06 0.37 1.44 5.37 0.00 0.04 -0.07 103.07 111.28 1ukp h GLY 115 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1ukp h GLY 115 CO -0.02 0.16 0.23 0.83 0.00 0.00 0.00 176.54 177.74 1ukp h GLU 116 N 0.34 0.73 -0.01 4.80 4.39 -0.51 -2.24 114.58 122.08 1ukp h GLU 116 Ca 0.09 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ukp h GLU 116 Cb 0.12 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1ukp h GLU 116 CO -0.01 0.58 -0.52 0.43 -1.16 0.00 0.00 179.01 178.33 1ukp n SER 117 N -4.36 1.43 -3.27 1.42 7.64 -0.79 -4.63 113.62 111.07 1ukp n SER 117 Ca 0.04 -1.14 -0.18 0.00 1.01 0.00 0.00 58.87 58.60 1ukp n SER 117 Cb 0.14 0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.63 0.84 0.32 6.43 3.04 -0.11 -4.99 114.94 117.84 1ukp s ASN 118 Ca 0.17 -2.11 0.24 0.00 0.04 0.00 0.00 52.86 51.20 1ukp s ASN 118 Cb 0.18 0.45 1.14 0.00 -1.54 0.00 0.00 41.25 41.48 1ukp s ASN 118 CO 0.63 -0.19 1.73 0.45 -3.04 0.00 0.00 177.10 176.67 1ukp h HIS 119 N 6.23 0.00 -0.03 0.43 3.86 -1.71 -2.93 115.15 121.00 1ukp h HIS 119 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 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 0.27 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.81 1ukp n ASP 120 N -2.32 0.22 0.06 2.45 8.00 -1.26 -3.02 116.55 120.68 1ukp n ASP 120 Ca 0.00 -1.59 0.13 0.00 0.71 0.00 0.00 54.79 54.04 1ukp n ASP 120 Cb 0.14 -0.02 0.48 0.00 -0.02 0.00 0.00 41.12 41.71 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 -0.57 0.32 -3.95 0.53 -5.35 -1.10 -4.68 119.36 104.54 1ukp n ILE 121 Ca 0.11 -0.16 -0.27 0.00 -0.27 0.00 0.00 62.75 62.17 1ukp n ILE 121 Cb 0.08 -0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 37.44 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 -3.06 3.47 0.41 4.28 0.08 -1.17 -1.12 117.98 120.87 1ukp s PHE 122 Ca 0.12 0.13 -0.27 0.00 0.12 0.00 0.00 56.93 57.03 1ukp s PHE 122 Cb 0.15 -1.67 -0.09 0.00 -0.57 0.00 0.00 43.02 40.84 1ukp s PHE 122 CO 0.58 0.53 1.39 0.71 -0.10 0.00 0.00 175.22 178.32 1ukp s TYR 123 N -1.71 2.67 -0.01 0.36 2.02 -1.24 -4.67 117.35 114.78 1ukp s TYR 123 Ca 0.34 1.31 0.02 0.00 -0.37 0.00 0.00 57.07 58.37 1ukp s TYR 123 Cb -0.11 -3.83 0.00 0.00 -0.40 0.00 0.00 41.96 37.62 1ukp s TYR 123 CO 0.28 -2.54 -0.05 0.99 -1.57 0.00 0.00 175.55 172.65 1ukp s THR 124 N -1.20 0.46 0.66 -0.71 2.01 -1.26 -1.36 115.64 114.25 1ukp s THR 124 Ca 0.56 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 1ukp s THR 124 Cb -0.42 -0.41 0.09 0.00 0.01 0.00 0.00 72.50 71.76 1ukp s THR 124 CO 0.55 0.15 0.92 0.54 -0.69 0.00 0.00 174.62 176.09 1ukp s ASN 125 N 0.09 4.71 0.36 3.53 4.22 -1.07 -2.07 114.94 124.70 1ukp s ASN 125 Ca -0.01 -0.18 0.05 0.00 -2.14 0.00 0.00 52.86 50.58 1ukp s ASN 125 Cb -0.05 -0.40 0.70 0.00 1.28 0.00 0.00 41.25 42.79 1ukp s ASN 125 CO -0.00 -1.59 1.98 -0.09 -2.04 0.00 0.00 177.10 175.35 1ukp h ARG 126 N -0.32 0.77 0.00 3.55 2.43 -1.93 -0.90 114.38 117.98 1ukp h ARG 126 Ca -0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1ukp h ARG 126 Cb 1.28 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1ukp h ARG 126 CO 0.46 0.51 0.00 0.43 -1.51 0.00 0.00 179.97 179.86 1ukp n SER 127 N -4.47 0.00 0.00 -3.80 7.64 -1.26 -4.89 113.62 106.85 1ukp n SER 127 Ca 0.09 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ukp n SER 127 Cb 0.16 -0.27 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 0.32 0.71 3.74 0.23 0.00 -0.34 -5.05 105.19 104.79 1ukp n GLY 128 Ca 0.09 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 4.52 -0.16 2.61 2.01 -1.26 -4.86 115.64 116.50 1ukp s THR 129 Ca 0.00 1.91 -0.09 0.00 0.31 0.00 0.00 61.69 63.82 1ukp s THR 129 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1ukp s THR 129 CO 0.00 0.36 0.16 -0.13 -0.69 0.00 0.00 174.62 174.32 1ukp s ARG 130 N -0.21 3.91 -0.38 4.92 1.81 -1.26 -2.60 118.95 125.14 1ukp s ARG 130 Ca 0.43 -0.14 -0.14 0.00 -1.72 0.00 0.00 55.73 54.16 1ukp s ARG 130 Cb -0.23 -3.33 0.01 0.00 -0.45 0.00 0.00 34.95 30.95 1ukp s ARG 130 CO 0.28 0.48 0.27 1.21 -0.68 0.00 0.00 175.30 176.86 1ukp s ASN 131 N -0.19 6.06 -0.08 0.23 3.84 -0.46 -4.97 114.94 119.37 1ukp s ASN 131 Ca 0.12 -0.72 0.07 0.00 0.21 0.00 0.00 52.86 52.54 1ukp s ASN 131 Cb -0.12 -2.14 0.36 0.00 -0.55 0.00 0.00 41.25 38.80 1ukp s ASN 131 CO 0.01 -0.36 1.12 0.29 -2.79 0.00 0.00 177.10 175.37 1ukp n LYS 132 N 5.13 2.54 0.09 0.43 5.02 -1.26 -3.63 118.16 126.48 1ukp n LYS 132 Ca -0.12 -1.39 0.12 0.00 -2.02 0.00 0.00 58.31 54.91 1ukp n LYS 132 Cb 0.48 -1.71 0.25 0.00 -0.02 0.00 0.00 35.03 34.03 1ukp n LYS 132 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1ukp h GLU 133 N 1.87 0.00 -2.57 1.97 4.11 -1.96 -3.44 114.58 114.55 1ukp h GLU 133 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ukp h GLU 133 Cb 1.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.10 1ukp h GLU 133 CO 0.17 0.00 0.27 -0.47 0.07 0.00 0.00 179.01 179.05 1ukp s TYR 134 N -3.16 -0.53 -0.06 2.06 5.04 -1.26 -1.23 117.35 118.22 1ukp s TYR 134 Ca 0.08 0.52 -0.25 0.00 -2.44 0.00 0.00 57.07 54.98 1ukp s TYR 134 Cb 0.12 0.51 -0.03 0.00 0.35 0.00 0.00 41.96 42.91 1ukp s TYR 134 CO 0.68 -0.72 0.78 -0.51 -1.34 0.00 0.00 175.55 174.43 1ukp s LEU 135 N -2.25 4.32 0.54 6.97 1.43 -1.26 -4.16 118.68 124.27 1ukp s LEU 135 Ca -0.01 1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 54.18 1ukp s LEU 135 Cb -0.01 -3.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.94 1ukp s LEU 135 CO -0.06 -0.17 1.11 1.07 0.23 0.00 0.00 176.35 178.53 1ukp n THR 136 N 3.86 3.42 0.29 5.49 5.66 -0.27 -4.83 114.28 127.90 1ukp n THR 136 Ca 0.01 -0.50 0.19 0.00 -3.05 0.00 0.00 64.05 60.70 1ukp n THR 136 Cb 0.51 -1.33 0.97 0.00 -1.55 0.00 0.00 70.33 68.93 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 1.08 0.00 0.00 1.08 3.04 -1.95 -1.91 116.25 117.58 1ukp h VAL 137 Ca -0.48 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1ukp h VAL 137 Cb 1.34 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1ukp h VAL 137 CO 0.54 0.00 -0.02 1.23 -1.01 0.00 0.00 177.57 178.32 1ukp h GLY 138 N 0.32 0.00 -1.60 3.17 0.00 -1.94 -2.33 103.07 100.69 1ukp h GLY 138 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 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 -3.35 2.30 -0.32 4.60 0.24 -0.72 -4.64 118.33 116.45 1ukp n VAL 139 Ca -0.02 -1.92 0.02 0.00 -2.04 0.00 0.00 64.34 60.37 1ukp n VAL 139 Cb 0.12 -0.26 0.15 0.00 -1.47 0.00 0.00 33.84 32.39 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 1.74 0.83 -0.20 -1.34 3.32 -1.55 -2.92 116.42 116.30 1ukp h ASP 140 Ca 0.01 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 1ukp h ASP 140 Cb 1.45 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.80 1ukp h ASP 140 CO 0.23 0.52 -0.24 0.59 -1.72 0.00 0.00 179.24 178.62 1ukp n ASN 141 N -4.63 2.20 -4.45 6.45 5.03 -1.26 -1.78 115.26 116.82 1ukp n ASN 141 Ca 0.13 -3.79 -0.38 0.00 0.87 0.00 0.00 54.58 51.42 1ukp n ASN 141 Cb 0.20 -0.58 -0.12 0.00 -1.02 0.00 0.00 39.78 38.26 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 -3.22 3.50 -1.46 3.52 0.41 -1.12 -4.97 118.70 115.37 1ukp s GLU 142 Ca 0.41 -0.60 -0.11 0.00 -0.41 0.00 0.00 54.97 54.27 1ukp s GLU 142 Cb 0.39 -3.47 -0.06 0.00 -1.78 0.00 0.00 34.13 29.20 1ukp s GLU 142 CO -0.03 -0.31 2.63 -0.35 -0.49 0.00 0.00 175.26 176.72 1ukp n PRO 143 N 4.96 3.19 -0.11 0.39 -0.04 -1.26 -3.97 135.00 138.16 1ukp n PRO 143 Ca -0.15 -2.18 0.07 0.00 -0.04 0.00 0.00 63.50 61.20 1ukp n PRO 143 Cb 0.50 -2.88 0.12 0.00 -0.04 0.00 0.00 33.50 31.20 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 4.14 0.52 -3.46 0.52 -5.35 -1.15 -4.20 119.36 110.37 1ukp n ILE 144 Ca 0.67 -0.76 -0.40 0.00 -0.27 0.00 0.00 62.75 61.99 1ukp n ILE 144 Cb 0.26 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.74 4.47 -4.00 4.28 3.72 -0.32 -4.67 117.46 121.67 1ukp n PHE 145 Ca 0.11 -3.92 -0.30 0.00 -0.05 0.00 0.00 57.45 53.29 1ukp n PHE 145 Cb 0.40 -1.35 -0.00 0.00 -0.94 0.00 0.00 39.48 37.58 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 2.31 -1.91 0.00 1.38 8.25 -1.26 -1.40 115.22 122.59 1ukp n HIS 146 Ca 0.23 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 1ukp n HIS 146 Cb 0.38 -3.63 0.00 0.00 1.12 0.00 0.00 29.99 27.86 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 -1.66 3.01 3.91 -1.41 0.00 -1.26 -5.06 105.19 102.72 1ukp n GLY 147 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.12 3.58 0.68 1.61 0.52 -0.49 -4.71 118.95 120.03 1ukp s ARG 148 Ca 0.00 -0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 54.99 1ukp s ARG 148 Cb 0.00 -2.80 0.06 0.00 0.52 0.00 0.00 34.95 32.73 1ukp s ARG 148 CO 0.00 0.38 0.97 0.95 0.02 0.00 0.00 175.30 177.63 1ukp s THR 149 N -1.84 2.34 0.16 0.02 -4.23 -1.25 -1.17 115.64 109.67 1ukp s THR 149 Ca 0.41 -0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 1ukp s THR 149 Cb -0.11 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.79 1ukp s THR 149 CO 0.27 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.02 1ukp h ALA 150 N -0.48 0.74 -0.48 3.99 0.00 -1.36 -2.41 119.26 119.25 1ukp h ALA 150 Ca -0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1ukp h ALA 150 Cb 1.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ukp h ALA 150 CO 0.58 0.45 0.17 0.82 0.00 0.00 0.00 179.25 181.27 1ukp h ILE 151 N 0.80 1.19 -0.34 0.00 2.04 -1.60 -1.28 117.51 118.31 1ukp h ILE 151 Ca 0.17 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 1ukp h ILE 151 Cb 0.37 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1ukp h ILE 151 CO 0.01 0.23 -0.12 -0.33 0.00 0.00 0.00 178.15 177.94 1ukp h GLU 152 N 0.69 0.58 0.39 2.37 5.08 -1.74 -0.17 114.58 121.78 1ukp h GLU 152 Ca 0.16 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ukp h GLU 152 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ukp h GLU 152 CO -0.01 0.69 -0.19 0.82 -1.00 0.00 0.00 179.01 179.31 1ukp h ILE 153 N 0.53 0.62 -0.67 3.13 2.04 -0.77 -0.02 117.51 122.37 1ukp h ILE 153 Ca 0.10 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1ukp h ILE 153 Cb 0.52 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1ukp h ILE 153 CO 0.03 0.01 0.44 1.88 0.00 0.00 0.00 178.15 180.51 1ukp h TYR 154 N -0.55 0.84 -0.25 1.37 0.05 -1.11 -1.63 116.97 115.68 1ukp h TYR 154 Ca -0.05 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1ukp h TYR 154 Cb 0.42 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1ukp h TYR 154 CO -0.04 0.53 -0.09 1.03 -1.05 0.00 0.00 178.16 178.54 1ukp h SER 155 N 0.90 0.51 -0.31 3.88 0.87 -0.75 -2.25 113.55 116.40 1ukp h SER 155 Ca 0.24 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1ukp h SER 155 Cb -0.10 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1ukp h SER 155 CO -0.05 0.79 -0.11 0.44 -0.53 0.00 0.00 176.83 177.37 1ukp h ASP 156 N 0.24 0.72 0.37 6.23 3.32 -0.75 -2.06 116.42 124.50 1ukp h ASP 156 Ca 0.06 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1ukp h ASP 156 Cb 0.58 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ukp h ASP 156 CO 0.03 0.86 -0.18 0.22 -1.72 0.00 0.00 179.24 178.45 1ukp h TYR 157 N 0.67 -0.46 -0.62 4.55 3.20 -1.25 -0.86 116.97 122.20 1ukp h TYR 157 Ca 0.12 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1ukp h TYR 157 Cb 0.57 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1ukp h TYR 157 CO 0.03 -0.27 0.32 0.52 -1.64 0.00 0.00 178.16 177.12 1ukp h MET 158 N -0.52 0.87 -0.46 1.82 2.86 -1.33 -0.92 114.93 117.25 1ukp h MET 158 Ca -0.05 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1ukp h MET 158 Cb 0.39 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1ukp h MET 158 CO 0.08 0.66 -0.05 0.87 1.06 0.00 0.00 176.91 179.54 1ukp h LYS 159 N 0.87 0.85 -0.61 1.72 1.57 -1.17 -0.41 116.57 119.39 1ukp h LYS 159 Ca 0.22 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1ukp h LYS 159 Cb 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1ukp h LYS 159 CO -0.03 0.92 0.13 1.03 -0.57 0.00 0.00 179.45 180.93 1ukp h SER 160 N 0.69 0.90 -0.30 0.86 0.87 -0.78 -1.20 113.55 114.59 1ukp h SER 160 Ca 0.13 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1ukp h SER 160 Cb 0.57 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1ukp h SER 160 CO 0.03 0.89 0.16 0.15 -0.53 0.00 0.00 176.83 177.53 1ukp h PHE 161 N 0.91 0.42 -0.81 2.24 3.57 -0.88 0.16 116.94 122.55 1ukp h PHE 161 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1ukp h PHE 161 Cb 0.35 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1ukp h PHE 161 CO 0.02 0.35 0.44 -0.09 -2.23 0.00 0.00 178.31 176.81 1ukp h ARG 162 N 0.36 1.12 -0.12 1.11 1.12 -0.70 0.62 114.38 117.90 1ukp h ARG 162 Ca 0.10 -0.13 -0.04 0.00 -1.11 0.00 0.00 59.98 58.80 1ukp h ARG 162 Cb 0.08 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 29.82 1ukp h ARG 162 CO -0.02 0.83 -0.08 0.93 -3.11 0.00 0.00 179.97 178.52 1ukp h GLU 163 N 1.12 0.27 0.00 0.20 5.08 -0.98 -2.17 114.58 118.10 1ukp h GLU 163 Ca 0.28 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ukp h GLU 163 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ukp h GLU 163 CO -0.05 0.64 0.00 -0.91 -1.00 0.00 0.00 179.01 177.69 1ukp h ASN 164 N -0.10 0.00 -0.26 1.42 2.35 -0.53 -2.97 115.58 115.50 1ukp h ASN 164 Ca 0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1ukp h ASN 164 Cb 0.57 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1ukp h ASN 164 CO 0.02 0.00 -0.01 0.23 -1.65 0.00 0.00 177.43 176.03 1ukp n MET 165 N -2.92 2.60 -0.30 0.81 2.81 0.20 -4.76 117.12 115.56 1ukp n MET 165 Ca 0.02 -2.88 0.13 0.00 -1.81 0.00 0.00 57.70 53.17 1ukp n MET 165 Cb 0.38 -1.82 0.37 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.51 0.68 -0.25 7.83 4.64 -1.22 -1.61 113.55 125.12 1ukp h SER 166 Ca 0.04 0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 1ukp h SER 166 Cb 1.46 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ukp h SER 166 CO 0.24 0.29 -0.51 -2.24 -0.87 0.00 0.00 176.83 173.75 1ukp h ASP 167 N 0.69 0.92 0.18 4.97 2.03 -1.86 -0.92 116.42 122.42 1ukp h ASP 167 Ca 0.50 -0.47 -0.10 0.00 -0.73 0.00 0.00 57.03 56.23 1ukp h ASP 167 Cb 0.86 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1ukp h ASP 167 CO -0.26 1.26 -0.38 -0.26 -1.03 0.00 0.00 179.24 178.57 1ukp h PHE 168 N 0.65 0.32 -0.01 4.15 0.04 -1.72 0.24 116.94 120.61 1ukp h PHE 168 Ca 0.03 -0.08 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 1ukp h PHE 168 Cb 1.10 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1ukp h PHE 168 CO 0.07 0.62 -0.78 -0.07 -0.60 0.00 0.00 178.31 177.54 1ukp h LEU 169 N 0.23 0.10 -0.12 1.54 3.38 -1.26 -1.40 115.31 117.79 1ukp h LEU 169 Ca 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ukp h LEU 169 Cb 0.77 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ukp h LEU 169 CO 0.06 0.84 -0.06 -0.08 0.09 0.00 0.00 178.44 179.29 1ukp h GLU 170 N 0.05 0.25 0.00 1.13 4.22 -0.64 -3.03 114.58 116.55 1ukp h GLU 170 Ca -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1ukp h GLU 170 Cb 1.37 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ukp h GLU 170 CO 0.11 0.60 0.00 -1.13 -2.18 0.00 0.00 179.01 176.41 1ukp n SER 171 N -4.69 0.10 0.00 1.04 3.41 0.03 -4.87 113.62 108.64 1ukp n SER 171 Ca -0.06 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1ukp n SER 171 Cb 0.28 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.19 0.45 0.17 5.00 0.00 -1.07 -4.96 105.19 104.59 1ukp n GLY 172 Ca 0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 0.50 -9.01 0.99 5.85 -1.53 -3.41 115.31 108.71 1ukp h LEU 173 Ca 0.00 -0.39 -0.60 0.00 0.84 0.00 0.00 57.88 57.73 1ukp h LEU 173 Cb 0.00 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.79 1ukp h LEU 173 CO 0.00 0.77 0.28 -0.63 -0.34 0.00 0.00 178.44 178.53 1ukp s ILE 174 N -4.69 4.92 -0.25 4.05 1.01 -1.24 -0.74 121.20 124.27 1ukp s ILE 174 Ca -0.13 1.29 0.22 0.00 0.00 0.00 0.00 60.65 62.03 1ukp s ILE 174 Cb 0.07 -4.01 -0.29 0.00 0.01 0.00 0.00 42.46 38.24 1ukp s ILE 174 CO 0.77 -0.02 0.61 2.30 0.00 0.00 0.00 174.94 178.60 1ukp n ILE 175 N 5.23 0.04 -3.53 2.92 -5.35 -0.82 -4.65 119.36 113.20 1ukp n ILE 175 Ca 0.02 -0.40 -0.15 0.00 -0.27 0.00 0.00 62.75 61.96 1ukp n ILE 175 Cb 0.48 0.18 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 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 -4.25 -0.54 -0.25 7.28 1.47 -1.26 -1.68 116.67 117.45 1ukp s ASP 176 Ca -0.04 0.52 -0.04 0.00 1.18 0.00 0.00 52.55 54.17 1ukp s ASP 176 Cb 0.14 0.46 0.01 0.00 -0.34 0.00 0.00 42.92 43.19 1ukp s ASP 176 CO 0.89 -0.55 -0.02 -0.63 0.68 0.00 0.00 175.17 175.55 1ukp s ILE 177 N -1.47 3.33 -0.31 2.11 -1.09 0.85 -2.38 121.20 122.23 1ukp s ILE 177 Ca -0.06 -0.77 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 1ukp s ILE 177 Cb -0.00 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 1ukp s ILE 177 CO 0.04 0.23 0.37 -0.70 -1.23 0.00 0.00 174.94 173.66 1ukp s GLU 178 N 1.42 3.77 -0.27 2.79 2.12 -0.02 -1.01 118.70 127.50 1ukp s GLU 178 Ca 0.03 -0.20 -0.24 0.00 0.36 0.00 0.00 54.97 54.91 1ukp s GLU 178 Cb -0.16 -3.74 -0.00 0.00 0.26 0.00 0.00 34.13 30.49 1ukp s GLU 178 CO -0.02 -0.42 0.82 0.08 -0.54 0.00 0.00 175.26 175.18 1ukp s VAL 179 N 2.07 4.81 0.26 3.70 1.01 0.49 -0.46 120.40 132.27 1ukp s VAL 179 Ca 0.14 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1ukp s VAL 179 Cb -0.16 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 1ukp s VAL 179 CO 0.11 -0.16 1.29 -0.83 0.00 0.00 0.00 175.10 175.52 1ukp s GLY 180 N 1.46 2.70 -0.04 4.51 0.00 -0.33 -4.51 107.32 111.12 1ukp s GLY 180 Ca 0.34 1.15 0.05 0.00 0.00 0.00 0.00 44.72 46.26 1ukp s GLY 180 CO 0.10 1.96 0.93 1.04 0.00 0.00 0.00 173.10 177.13 1ukp n LEU 181 N 1.83 1.11 0.00 0.66 4.77 -0.66 -4.72 117.00 120.00 1ukp n LEU 181 Ca 0.03 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1ukp n LEU 181 Cb 0.42 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ukp n LEU 181 CO 0.58 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1ukp n GLY 182 N -0.52 -0.52 3.68 -0.72 0.00 -0.98 -4.44 105.19 101.69 1ukp n GLY 182 Ca 0.05 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 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 2.14 -1.73 1.61 -0.02 -1.25 -0.39 135.00 135.36 1ukp n PRO 183 Ca 0.00 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 1ukp n PRO 183 Cb 0.00 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 30.93 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 2.46 -0.36 -0.81 3.55 0.00 -1.26 -1.62 120.51 122.46 1ukp n ALA 184 Ca 0.13 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ukp n ALA 184 Cb 0.31 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.48 0.97 3.85 0.00 0.00 0.48 -5.01 105.19 104.99 1ukp n GLY 185 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.17 3.97 -0.99 1.61 2.02 -0.64 -1.65 118.70 122.85 1ukp s GLU 186 Ca 0.00 0.53 -0.23 0.00 0.02 0.00 0.00 54.97 55.28 1ukp s GLU 186 Cb 0.00 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.57 1ukp s GLU 186 CO 0.00 0.33 1.48 -1.17 0.02 0.00 0.00 175.26 175.92 1ukp s LEU 187 N -2.49 3.45 0.04 1.80 2.96 -0.52 -2.31 118.68 121.60 1ukp s LEU 187 Ca 0.46 -1.30 -0.28 0.00 -0.22 0.00 0.00 54.13 52.79 1ukp s LEU 187 Cb -0.13 -2.57 0.10 0.00 0.50 0.00 0.00 46.19 44.09 1ukp s LEU 187 CO 0.20 -1.63 1.20 0.00 -1.32 0.00 0.00 176.35 174.79 1ukp s ARG 188 N 5.21 0.66 0.18 1.98 1.70 -1.26 -4.64 118.95 122.77 1ukp s ARG 188 Ca 0.47 -0.40 -0.07 0.00 -0.47 0.00 0.00 55.73 55.26 1ukp s ARG 188 Cb -0.01 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1ukp s ARG 188 CO -0.07 -0.31 0.46 0.71 -1.08 0.00 0.00 175.30 175.01 1ukp s TYR 189 N -2.37 3.46 -1.37 5.89 2.02 0.22 -4.43 117.35 120.76 1ukp s TYR 189 Ca 0.20 0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 57.49 1ukp s TYR 189 Cb 0.01 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1ukp s TYR 189 CO -0.01 0.36 2.45 -0.35 -1.57 0.00 0.00 175.55 176.44 1ukp n PRO 190 N 0.02 2.91 0.10 -1.71 -0.04 -1.26 -4.66 135.00 130.37 1ukp n PRO 190 Ca -0.01 -2.22 0.13 0.00 -0.04 0.00 0.00 63.50 61.36 1ukp n PRO 190 Cb 0.52 -2.96 0.44 0.00 -0.04 0.00 0.00 33.50 31.46 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 5.09 0.72 -3.19 3.54 3.41 -1.26 -4.25 113.62 117.69 1ukp n SER 191 Ca 0.61 0.59 -0.23 0.00 -0.26 0.00 0.00 58.87 59.58 1ukp n SER 191 Cb 0.30 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 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 -2.20 1.44 -2.33 7.33 4.11 -1.26 -1.69 117.16 122.55 1ukp n TYR 192 Ca 0.05 -3.84 -0.43 0.00 -0.00 0.00 0.00 57.90 53.68 1ukp n TYR 192 Cb 0.37 -0.44 -0.02 0.00 -0.00 0.00 0.00 39.34 39.25 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 -2.26 4.26 0.19 -3.48 0.04 -1.26 -4.89 135.00 127.60 1ukp s PRO 193 Ca 0.40 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 1ukp s PRO 193 Cb 0.24 -3.71 0.11 0.00 0.04 0.00 0.00 34.50 31.18 1ukp s PRO 193 CO -0.09 -0.64 1.60 0.37 0.04 0.00 0.00 177.00 178.28 1ukp h GLN 194 N 8.14 0.89 -0.01 4.56 4.15 -1.94 -1.96 115.11 128.94 1ukp h GLN 194 Ca -0.32 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 58.74 1ukp h GLN 194 Cb 1.14 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1ukp h GLN 194 CO 0.93 1.01 0.02 0.66 -1.93 0.00 0.00 178.83 179.52 1ukp h SER 195 N 0.78 0.00 -0.62 -0.69 4.64 -1.92 -0.63 113.55 115.11 1ukp h SER 195 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ukp h SER 195 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1ukp h SER 195 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1ukp n GLN 196 N -3.31 3.18 -0.01 4.77 6.02 -1.02 -4.95 117.38 122.06 1ukp n GLN 196 Ca -0.03 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 1ukp n GLN 196 Cb 0.09 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.68 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 1.17 0.24 3.68 1.08 0.00 -0.24 -5.04 105.19 106.07 1ukp n GLY 197 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 1.93 -3.79 1.61 -0.00 -0.77 -4.90 117.44 109.52 1ukp n TRP 198 Ca 0.00 0.53 -0.14 0.00 -0.00 0.00 0.00 57.50 57.90 1ukp n TRP 198 Cb 0.00 -2.35 -0.15 0.00 -0.00 0.00 0.00 31.31 28.81 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 -2.07 0.02 0.30 5.87 2.02 -1.26 -4.55 118.70 119.04 1ukp s GLU 199 Ca 0.60 0.21 -0.29 0.00 0.02 0.00 0.00 54.97 55.51 1ukp s GLU 199 Cb -0.54 -0.16 -0.12 0.00 0.10 0.00 0.00 34.13 33.41 1ukp s GLU 199 CO 0.59 -0.13 1.40 0.34 0.02 0.00 0.00 175.26 177.49 1ukp n PHE 200 N 3.90 2.42 -1.97 1.61 7.35 -1.26 -0.18 117.46 129.33 1ukp n PHE 200 Ca -0.23 0.45 -0.37 0.00 -0.76 0.00 0.00 57.45 56.54 1ukp n PHE 200 Cb 0.53 -2.48 0.04 0.00 0.35 0.00 0.00 39.48 37.92 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 1.32 2.89 -1.62 -7.13 -0.04 -1.26 -5.14 135.00 124.01 1ukp n PRO 201 Ca 0.07 -3.69 -0.39 0.00 -0.04 0.00 0.00 63.50 59.45 1ukp n PRO 201 Cb 0.35 -2.27 0.04 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 -0.57 -0.20 0.26 0.55 0.00 0.75 -4.88 105.19 101.10 1ukp n GLY 202 Ca 0.52 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.65 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 0.84 0.00 0.00 -0.61 3.07 -1.17 -3.46 117.51 116.18 1ukp h ILE 203 Ca -0.48 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 65.48 1ukp h ILE 203 Cb 1.35 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 1ukp h ILE 203 CO 0.53 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.24 1ukp n GLY 204 N -0.03 -2.57 3.18 0.16 0.00 -0.48 -3.95 105.19 101.50 1ukp n GLY 204 Ca 0.01 -1.63 -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 -0.90 0.87 0.38 1.61 2.02 -0.68 -4.16 118.70 117.83 1ukp s GLU 205 Ca 0.00 -1.12 -0.26 0.00 0.02 0.00 0.00 54.97 53.61 1ukp s GLU 205 Cb 0.00 -0.66 -0.09 0.00 0.10 0.00 0.00 34.13 33.48 1ukp s GLU 205 CO 0.00 0.12 1.16 -0.06 0.02 0.00 0.00 175.26 176.50 1ukp s PHE 206 N -2.12 3.15 -0.38 1.61 0.08 -1.26 -4.42 117.98 114.64 1ukp s PHE 206 Ca 0.04 1.57 0.07 0.00 0.12 0.00 0.00 56.93 58.73 1ukp s PHE 206 Cb -0.05 -3.39 0.44 0.00 -0.57 0.00 0.00 43.02 39.45 1ukp s PHE 206 CO 0.01 -1.22 1.13 1.04 -0.10 0.00 0.00 175.22 176.08 1ukp n GLN 207 N 0.28 3.29 -1.45 0.44 1.13 -1.26 -4.37 117.38 115.44 1ukp n GLN 207 Ca 0.03 -4.28 -0.19 0.00 -1.94 0.00 0.00 57.00 50.62 1ukp n GLN 207 Cb 0.46 -2.17 0.10 0.00 0.11 0.00 0.00 30.24 28.73 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 -0.90 0.00 -1.11 0.00 4.02 -0.88 -4.22 117.16 114.07 1ukp n TYR 209 Ca 0.43 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 58.00 1ukp n TYR 209 Cb 0.92 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 40.36 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 -1.58 3.70 0.33 7.72 1.47 -1.26 -4.72 116.67 122.34 1ukp s ASP 210 Ca 0.21 2.24 0.06 0.00 1.18 0.00 0.00 52.55 56.24 1ukp s ASP 210 Cb 0.15 -2.57 0.73 0.00 -0.34 0.00 0.00 42.92 40.89 1ukp s ASP 210 CO 0.25 -2.59 1.87 0.07 0.68 0.00 0.00 175.17 175.45 1ukp h LYS 211 N -1.02 0.77 -0.11 2.11 2.10 -1.94 -1.79 116.57 116.70 1ukp h LYS 211 Ca -0.45 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ukp h LYS 211 Cb 1.28 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1ukp h LYS 211 CO 0.46 0.51 0.06 1.88 -2.00 0.00 0.00 179.45 180.37 1ukp h TYR 212 N 0.79 0.15 0.00 0.07 0.05 -1.89 -0.78 116.97 115.35 1ukp h TYR 212 Ca 0.45 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.11 1ukp h TYR 212 Cb 0.59 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1ukp h TYR 212 CO -0.00 0.15 -0.56 -0.07 -1.05 0.00 0.00 178.16 176.63 1ukp h LEU 213 N 0.10 0.00 -0.83 3.88 3.38 -1.81 -1.73 115.31 118.30 1ukp h LEU 213 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ukp h LEU 213 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ukp h LEU 213 CO -0.01 0.56 -0.16 0.50 0.09 0.00 0.00 178.44 179.42 1ukp h LYS 214 N 0.00 0.69 -0.05 1.13 3.64 -1.10 0.15 116.57 121.04 1ukp h LYS 214 Ca -0.01 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 58.93 1ukp h LYS 214 Cb 1.12 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1ukp h LYS 214 CO 0.07 0.82 -0.81 0.00 -2.27 0.00 0.00 179.45 177.26 1ukp h ALA 215 N 1.20 0.51 -0.07 5.00 0.00 -0.98 -1.46 119.26 123.45 1ukp h ALA 215 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1ukp h ALA 215 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ukp h ALA 215 CO 0.04 0.79 0.02 0.22 0.00 0.00 0.00 179.25 180.33 1ukp h ASP 216 N 0.25 0.10 -0.48 0.00 1.82 -0.93 -1.42 116.42 115.76 1ukp h ASP 216 Ca -0.05 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.33 1ukp h ASP 216 Cb 1.42 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.38 1ukp h ASP 216 CO 0.14 0.28 0.10 0.15 -1.61 0.00 0.00 179.24 178.30 1ukp h PHE 217 N -0.09 0.82 -0.70 0.28 3.57 -0.73 -1.58 116.94 118.51 1ukp h PHE 217 Ca 0.02 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1ukp h PHE 217 Cb 0.22 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1ukp h PHE 217 CO -0.00 0.75 0.46 -0.22 -2.23 0.00 0.00 178.31 177.07 1ukp h LYS 218 N 0.65 0.80 -0.08 1.11 3.64 -1.15 0.38 116.57 121.92 1ukp h LYS 218 Ca 0.15 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 1ukp h LYS 218 Cb 0.36 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ukp h LYS 218 CO 0.01 0.53 -0.86 0.00 -2.27 0.00 0.00 179.45 176.86 1ukp h ALA 219 N 1.60 0.32 -0.28 5.00 0.00 -1.00 -2.85 119.26 122.05 1ukp h ALA 219 Ca 0.28 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1ukp h ALA 219 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ukp h ALA 219 CO -0.08 0.72 0.08 0.00 0.00 0.00 0.00 179.25 179.96 1ukp h ALA 220 N 0.61 0.36 -0.43 0.00 0.00 -0.28 -2.15 119.26 117.37 1ukp h ALA 220 Ca -0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1ukp h ALA 220 Cb 1.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1ukp h ALA 220 CO 0.17 0.01 -0.12 -0.39 0.00 0.00 0.00 179.25 178.91 1ukp h VAL 221 N 0.28 1.26 -0.83 0.00 -1.51 -1.04 -2.05 116.25 112.37 1ukp h VAL 221 Ca 0.09 -1.19 -0.01 0.00 -1.23 0.00 0.00 66.70 64.36 1ukp h VAL 221 Cb 0.26 1.06 -0.04 0.00 -2.13 0.00 0.00 31.29 30.44 1ukp h VAL 221 CO -0.00 0.40 0.46 0.00 -1.23 0.00 0.00 177.57 177.21 1ukp h ALA 222 N 1.16 1.07 -0.11 5.19 0.00 -1.40 0.11 119.26 125.28 1ukp h ALA 222 Ca 0.12 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ukp h ALA 222 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ukp h ALA 222 CO 0.04 0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.61 1ukp h ARG 223 N 1.16 0.19 0.00 0.00 3.08 -1.08 -0.22 114.38 117.50 1ukp h ARG 223 Ca 0.29 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1ukp h ARG 223 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ukp h ARG 223 CO -0.05 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.28 1ukp n ALA 224 N -2.48 2.57 -1.41 0.04 0.00 -0.58 -4.86 120.51 113.79 1ukp n ALA 224 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1ukp n ALA 224 Cb 0.35 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 0.75 0.65 2.35 0.00 0.00 -0.09 -4.98 105.19 103.87 1ukp n GLY 225 Ca 0.16 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.14 1.57 0.31 1.61 8.25 0.29 -4.92 115.22 119.19 1ukp n HIS 226 Ca -0.06 -3.85 0.06 0.00 -0.26 0.00 0.00 57.72 53.61 1ukp n HIS 226 Cb 0.29 -0.45 0.26 0.00 1.12 0.00 0.00 29.99 31.21 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 0.86 0.03 0.05 -0.41 -0.04 -1.26 -2.11 135.00 132.13 1ukp n PRO 227 Ca 0.26 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1ukp n PRO 227 Cb 0.49 -1.58 0.39 0.00 -0.04 0.00 0.00 33.50 32.77 1ukp n PRO 227 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ukp n GLU 228 N -1.65 0.16 -2.51 0.54 0.00 -1.26 -4.84 120.64 111.08 1ukp n GLU 228 Ca 0.02 0.10 -0.41 0.00 0.00 0.00 0.00 57.16 56.87 1ukp n GLU 228 Cb 0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 31.44 29.86 1ukp n GLU 228 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ukp s TRP 229 N -3.07 3.60 0.27 -1.84 0.51 -0.90 -5.05 118.94 112.46 1ukp s TRP 229 Ca 0.11 1.60 0.08 0.00 -2.12 0.00 0.00 56.10 55.77 1ukp s TRP 229 Cb 0.15 -3.27 -0.06 0.00 -0.81 0.00 0.00 33.47 29.48 1ukp s TRP 229 CO 0.62 -0.60 -0.10 -1.21 -0.51 0.00 0.00 176.95 175.15 1ukp s GLU 230 N -0.42 1.57 0.96 4.98 0.41 -1.26 -4.97 118.70 119.97 1ukp s GLU 230 Ca 0.49 -1.77 -0.12 0.00 -0.41 0.00 0.00 54.97 53.17 1ukp s GLU 230 Cb -0.29 -1.33 0.11 0.00 -1.78 0.00 0.00 34.13 30.84 1ukp s GLU 230 CO 0.35 0.13 0.79 1.28 -0.49 0.00 0.00 175.26 177.32 1ukp n LEU 231 N -0.58 1.31 -4.65 1.80 4.77 -1.26 -4.87 117.00 113.53 1ukp n LEU 231 Ca -0.06 0.32 -0.44 0.00 -0.03 0.00 0.00 56.01 55.80 1ukp n LEU 231 Cb 0.62 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.37 1ukp n LEU 231 CO 0.39 -2.88 0.76 -2.65 -1.33 0.00 0.00 177.39 171.69 1ukp n PRO 232 N -3.18 1.77 0.00 3.23 -0.02 -1.26 -4.93 135.00 130.61 1ukp n PRO 232 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ukp n PRO 232 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.07 0.21 -1.82 2.55 5.75 -1.26 -4.82 116.55 118.22 1ukp n ASP 233 Ca 0.07 -0.64 -0.14 0.00 -0.01 0.00 0.00 54.79 54.07 1ukp n ASP 233 Cb 0.34 0.17 0.06 0.00 -1.03 0.00 0.00 41.12 40.65 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 -0.17 3.76 -0.26 -1.12 5.75 -1.26 -4.75 116.55 118.50 1ukp n ASP 234 Ca 0.00 -3.52 0.12 0.00 -0.01 0.00 0.00 54.79 51.39 1ukp n ASP 234 Cb 0.09 -0.39 0.24 0.00 -1.03 0.00 0.00 41.12 40.02 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 -0.73 3.36 0.00 2.12 0.00 -1.26 -0.45 120.51 123.54 1ukp n ALA 235 Ca 0.33 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ukp n ALA 235 Cb 0.90 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 1.39 -0.59 3.35 0.00 0.00 -1.26 -4.87 105.19 103.20 1ukp n GLY 236 Ca 0.10 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 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 1.50 0.18 1.61 1.02 -1.26 -4.99 119.74 117.80 1ukp s LYS 237 Ca 0.00 -1.83 -0.05 0.00 0.02 0.00 0.00 55.97 54.11 1ukp s LYS 237 Cb 0.00 -0.34 0.28 0.00 -0.52 0.00 0.00 37.83 37.25 1ukp s LYS 237 CO 0.00 -0.31 0.99 0.66 -0.92 0.00 0.00 175.35 175.76 1ukp n TYR 238 N -0.54 0.22 0.49 3.18 4.01 -1.26 -1.19 117.16 122.07 1ukp n TYR 238 Ca -0.00 0.77 0.11 0.00 -0.16 0.00 0.00 57.90 58.62 1ukp n TYR 238 Cb 0.66 -0.86 0.25 0.00 -0.31 0.00 0.00 39.34 39.08 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 -5.03 3.10 -4.38 7.72 5.03 -1.26 -1.39 115.26 119.05 1ukp n ASN 239 Ca 0.10 -1.94 -0.29 0.00 0.87 0.00 0.00 54.58 53.32 1ukp n ASN 239 Cb 0.31 -0.23 0.23 0.00 -1.02 0.00 0.00 39.78 39.08 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 -1.48 1.29 0.09 6.41 1.01 -0.33 -4.66 116.67 118.98 1ukp s ASP 240 Ca 0.37 1.19 0.08 0.00 0.71 0.00 0.00 52.55 54.90 1ukp s ASP 240 Cb 0.22 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 1ukp s ASP 240 CO 0.30 -3.96 -0.16 0.68 0.21 0.00 0.00 175.17 172.25 1ukp s VAL 241 N -2.70 2.99 0.16 -1.27 -7.23 -1.26 -2.58 120.40 108.52 1ukp s VAL 241 Ca 0.68 -1.32 -0.31 0.00 -1.81 0.00 0.00 61.98 59.22 1ukp s VAL 241 Cb -0.20 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 1ukp s VAL 241 CO 0.60 0.19 1.53 1.55 -0.31 0.00 0.00 175.10 178.67 1ukp h PRO 242 N 3.98 -0.01 0.00 4.82 0.13 -1.96 -1.35 132.00 137.62 1ukp h PRO 242 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ukp h PRO 242 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ukp h PRO 242 CO 0.48 -0.00 0.02 0.39 -0.23 0.00 0.00 178.00 178.66 1ukp n GLU 243 N -5.23 0.04 -0.37 0.86 -0.58 -1.26 -1.27 120.64 112.83 1ukp n GLU 243 Ca 0.02 0.53 0.08 0.00 -0.42 0.00 0.00 57.16 57.36 1ukp n GLU 243 Cb 0.26 -1.65 0.25 0.00 -0.57 0.00 0.00 31.44 29.73 1ukp n GLU 243 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ukp n SER 244 N -1.71 3.24 -4.33 1.62 3.41 -0.51 -4.76 113.62 110.59 1ukp n SER 244 Ca -0.00 -2.17 -0.22 0.00 -0.26 0.00 0.00 58.87 56.22 1ukp n SER 244 Cb 0.03 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.54 1.80 -0.06 6.66 -4.23 -0.40 -4.95 115.64 112.92 1ukp s THR 245 Ca 0.36 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 59.09 1ukp s THR 245 Cb 0.21 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1ukp s THR 245 CO 0.21 -0.32 1.43 1.23 -0.54 0.00 0.00 174.62 176.62 1ukp h GLY 246 N 3.24 0.00 0.62 3.99 0.00 -1.77 -2.79 103.07 106.36 1ukp h GLY 246 Ca -0.42 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1ukp h GLY 246 CO 0.51 0.00 -0.42 -2.75 0.00 0.00 0.00 176.54 173.89 1ukp h PHE 247 N 0.00 0.43 -0.02 5.60 3.57 -1.10 -1.05 116.94 124.38 1ukp h PHE 247 Ca -0.01 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1ukp h PHE 247 Cb 1.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1ukp h PHE 247 CO 0.00 1.04 -0.42 1.19 -2.23 0.00 0.00 178.31 177.89 1ukp n PHE 248 N -4.37 0.00 -1.50 0.41 3.72 -1.26 -0.98 117.46 113.49 1ukp n PHE 248 Ca -0.10 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.01 1ukp n PHE 248 Cb 0.58 -0.01 0.15 0.00 -0.94 0.00 0.00 39.48 39.26 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 -2.44 0.93 0.14 -1.08 -2.85 -1.05 -4.55 119.74 108.84 1ukp s LYS 249 Ca 0.20 0.26 -0.34 0.00 -1.00 0.00 0.00 55.97 55.09 1ukp s LYS 249 Cb 0.18 -1.82 -0.15 0.00 -2.06 0.00 0.00 37.83 33.98 1ukp s LYS 249 CO 0.55 -2.33 1.34 0.45 0.10 0.00 0.00 175.35 175.45 1ukp n SER 250 N -3.85 1.94 -3.39 0.03 2.88 -1.26 0.11 113.62 110.08 1ukp n SER 250 Ca 0.07 1.12 -0.24 0.00 -1.33 0.00 0.00 58.87 58.49 1ukp n SER 250 Cb 0.59 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 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 2.47 -4.04 -2.50 -3.46 3.02 -1.26 -4.95 115.26 104.55 1ukp n ASN 251 Ca 0.16 -0.42 -0.07 0.00 -0.03 0.00 0.00 54.58 54.22 1ukp n ASN 251 Cb 0.24 -3.32 0.04 0.00 -0.61 0.00 0.00 39.78 36.13 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 -1.25 -0.74 0.34 7.41 0.00 0.12 -4.93 105.19 106.14 1ukp n GLY 252 Ca -0.02 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.00 0.87 0.00 2.61 2.02 -1.01 -2.55 112.91 113.85 1ukp h THR 253 Ca -0.10 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1ukp h THR 253 Cb 0.29 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 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 -4.45 0.70 0.35 3.16 4.11 -0.15 -1.28 117.16 119.59 1ukp n TYR 254 Ca 0.07 0.36 0.10 0.00 -0.00 0.00 0.00 57.90 58.43 1ukp n TYR 254 Cb 0.38 -1.07 0.17 0.00 -0.00 0.00 0.00 39.34 38.82 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 -2.21 0.44 -2.56 -3.48 0.24 -0.96 -3.91 118.33 105.88 1ukp n VAL 255 Ca -0.01 -0.72 -0.26 0.00 -2.04 0.00 0.00 64.34 61.31 1ukp n VAL 255 Cb 0.05 1.03 0.02 0.00 -1.47 0.00 0.00 33.84 33.46 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 -1.42 4.07 0.25 3.34 -4.23 -0.40 -4.86 115.64 112.39 1ukp s THR 256 Ca 0.33 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1ukp s THR 256 Cb 0.20 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.69 1ukp s THR 256 CO 0.28 -0.56 1.83 -0.08 -0.54 0.00 0.00 174.62 175.55 1ukp h GLU 257 N 0.03 0.87 -0.32 3.99 4.81 -1.94 0.11 114.58 122.13 1ukp h GLU 257 Ca -0.46 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 1ukp h GLU 257 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1ukp h GLU 257 CO 0.60 0.57 0.00 -0.22 -0.73 0.00 0.00 179.01 179.24 1ukp h LYS 258 N 0.89 0.56 -0.02 1.92 3.64 -1.93 -2.18 116.57 119.44 1ukp h LYS 258 Ca 0.41 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ukp h LYS 258 Cb 0.32 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ukp h LYS 258 CO -0.23 0.69 0.01 0.78 -2.27 0.00 0.00 179.45 178.44 1ukp h GLY 259 N 0.36 0.03 2.00 5.01 0.00 -1.31 -2.06 103.07 107.10 1ukp h GLY 259 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1ukp h GLY 259 CO 0.02 0.01 -0.13 0.50 0.00 0.00 0.00 176.54 176.94 1ukp h LYS 260 N -0.01 0.00 -0.11 4.80 1.57 -0.83 -1.43 116.57 120.57 1ukp h LYS 260 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1ukp h LYS 260 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ukp h LYS 260 CO -0.00 0.13 -0.32 0.35 -0.57 0.00 0.00 179.45 179.04 1ukp h PHE 261 N 0.00 0.53 0.07 -1.35 3.57 -1.15 -2.17 116.94 116.43 1ukp h PHE 261 Ca -0.00 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.29 1ukp h PHE 261 Cb 0.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1ukp h PHE 261 CO 0.00 0.93 -0.09 0.35 -2.23 0.00 0.00 178.31 177.27 1ukp h PHE 262 N -0.03 -0.22 -0.56 0.41 3.57 -0.98 -0.16 116.94 118.97 1ukp h PHE 262 Ca -0.01 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1ukp h PHE 262 Cb 0.94 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1ukp h PHE 262 CO 0.11 -0.14 0.37 -0.07 -2.23 0.00 0.00 178.31 176.36 1ukp h LEU 263 N -0.18 0.57 -0.17 0.59 3.38 -1.33 0.51 115.31 118.67 1ukp h LEU 263 Ca 0.01 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1ukp h LEU 263 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ukp h LEU 263 CO -0.04 0.39 -0.47 0.74 0.09 0.00 0.00 178.44 179.15 1ukp h THR 264 N 0.66 1.33 -0.47 0.22 2.02 -1.05 -1.96 112.91 113.65 1ukp h THR 264 Ca 0.22 -1.72 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 1ukp h THR 264 Cb 0.07 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1ukp h THR 264 CO -0.06 0.53 0.17 -0.25 0.37 0.00 0.00 175.52 176.29 1ukp h TRP 265 N 0.30 0.73 -0.19 3.16 7.01 -0.16 -1.46 115.95 125.35 1ukp h TRP 265 Ca -0.01 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 1ukp h TRP 265 Cb 1.09 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 1ukp h TRP 265 CO 0.09 0.63 0.11 -0.92 -2.79 0.00 0.00 178.44 175.56 1ukp h TYR 266 N 0.62 0.26 0.00 2.65 3.20 0.00 -2.82 116.97 120.88 1ukp h TYR 266 Ca 0.16 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 1ukp h TYR 266 Cb 0.22 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1ukp h TYR 266 CO 0.01 0.23 -0.70 0.66 -1.64 0.00 0.00 178.16 176.72 1ukp h SER 267 N 0.21 0.00 0.06 -2.11 4.64 -1.34 -3.18 113.55 111.82 1ukp h SER 267 Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1ukp h SER 267 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1ukp h SER 267 CO -0.01 0.70 -0.25 0.78 -0.87 0.00 0.00 176.83 177.18 1ukp h ASN 268 N 0.00 0.32 -0.82 4.97 -0.26 -1.16 -2.77 115.58 115.86 1ukp h ASN 268 Ca -0.01 -0.10 0.07 0.00 -0.56 0.00 0.00 56.30 55.71 1ukp h ASN 268 Cb 1.25 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 38.37 1ukp h ASN 268 CO 0.09 0.57 0.53 0.11 -1.06 0.00 0.00 177.43 177.68 1ukp h LYS 269 N 0.29 0.84 -0.23 0.81 1.79 -1.48 -1.59 116.57 117.02 1ukp h LYS 269 Ca 0.05 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1ukp h LYS 269 Cb 0.60 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1ukp h LYS 269 CO 0.04 0.56 -0.55 -0.07 -1.08 0.00 0.00 179.45 178.35 1ukp h LEU 270 N 0.87 0.88 -0.29 2.94 3.38 -1.63 -0.81 115.31 120.64 1ukp h LEU 270 Ca 0.36 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ukp h LEU 270 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ukp h LEU 270 CO -0.13 1.28 0.09 -0.07 0.09 0.00 0.00 178.44 179.70 1ukp h LEU 271 N 0.51 0.09 -0.84 1.67 3.38 -1.28 -1.03 115.31 117.81 1ukp h LEU 271 Ca -0.01 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1ukp h LEU 271 Cb 1.17 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ukp h LEU 271 CO 0.12 0.08 -0.54 0.78 0.09 0.00 0.00 178.44 178.97 1ukp h ASN 272 N 0.21 0.11 -0.16 -0.43 2.35 -1.31 -1.45 115.58 114.91 1ukp h ASN 272 Ca 0.13 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1ukp h ASN 272 Cb 0.11 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1ukp h ASN 272 CO -0.15 0.64 0.09 -0.74 -1.65 0.00 0.00 177.43 175.62 1ukp h HIS 273 N 0.08 0.21 -0.45 1.19 2.76 -0.69 -1.16 115.15 117.10 1ukp h HIS 273 Ca -0.00 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 1ukp h HIS 273 Cb 0.99 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1ukp h HIS 273 CO 0.01 0.20 -0.19 0.78 -1.30 0.00 0.00 177.93 177.43 1ukp h GLY 274 N 0.17 1.00 0.94 5.26 0.00 -1.06 -2.59 103.07 106.79 1ukp h GLY 274 Ca 0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1ukp h GLY 274 CO -0.01 0.80 0.06 -1.80 0.00 0.00 0.00 176.54 175.59 1ukp h ASP 275 N 0.76 0.14 -0.63 0.19 3.58 -1.14 0.44 116.42 119.76 1ukp h ASP 275 Ca 0.10 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1ukp h ASP 275 Cb 0.75 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 1ukp h ASP 275 CO 0.06 0.18 0.27 1.56 -2.88 0.00 0.00 179.24 178.43 1ukp h GLN 276 N 0.09 0.93 -0.07 0.28 4.20 -1.22 -1.74 115.11 117.58 1ukp h GLN 276 Ca 0.04 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.43 1ukp h GLN 276 Cb 0.07 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1ukp h GLN 276 CO -0.01 0.77 -0.68 0.82 -0.67 0.00 0.00 178.83 179.06 1ukp h ILE 277 N 0.87 1.39 -0.18 2.54 2.04 -1.38 -2.80 117.51 119.99 1ukp h ILE 277 Ca 0.21 -2.12 -0.09 0.00 1.00 0.00 0.00 64.86 63.86 1ukp h ILE 277 Cb 0.17 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1ukp h ILE 277 CO -0.02 0.63 -0.28 -0.07 0.00 0.00 0.00 178.15 178.41 1ukp h LEU 278 N 0.22 0.35 -0.64 1.44 3.38 -0.70 -2.15 115.31 117.21 1ukp h LEU 278 Ca -0.02 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1ukp h LEU 278 Cb 1.23 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1ukp h LEU 278 CO 0.11 0.63 0.31 0.44 0.09 0.00 0.00 178.44 180.02 1ukp h ASP 279 N 0.31 0.40 0.34 -0.43 3.32 -1.05 0.14 116.42 119.45 1ukp h ASP 279 Ca 0.04 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1ukp h ASP 279 Cb 0.66 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1ukp h ASP 279 CO 0.05 0.25 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.05 1ukp h GLU 280 N 0.55 0.12 -0.23 3.56 4.39 -1.33 -2.53 114.58 119.12 1ukp h GLU 280 Ca 0.31 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 1ukp h GLU 280 Cb 0.30 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ukp h GLU 280 CO -0.24 0.54 -0.53 0.00 -1.16 0.00 0.00 179.01 177.61 1ukp h ALA 281 N 1.46 0.63 -0.77 3.43 0.00 -0.58 0.10 119.26 123.53 1ukp h ALA 281 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1ukp h ALA 281 Cb 0.81 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1ukp h ALA 281 CO 0.06 0.68 0.28 -0.91 0.00 0.00 0.00 179.25 179.36 1ukp h ASN 282 N 0.52 1.09 -0.28 0.00 2.35 -0.88 -0.88 115.58 117.50 1ukp h ASN 282 Ca 0.01 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1ukp h ASN 282 Cb 1.10 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1ukp h ASN 282 CO 0.11 0.99 -0.06 0.11 -1.65 0.00 0.00 177.43 176.92 1ukp h LYS 283 N 1.13 0.53 -0.66 0.81 1.57 -1.25 -1.25 116.57 117.45 1ukp h LYS 283 Ca 0.25 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1ukp h LYS 283 Cb 0.26 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1ukp h LYS 283 CO -0.01 0.73 0.37 0.00 -0.57 0.00 0.00 179.45 179.97 1ukp h ALA 284 N 0.78 0.85 -0.57 3.86 0.00 -0.71 -3.19 119.26 120.27 1ukp h ALA 284 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ukp h ALA 284 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ukp h ALA 284 CO 0.03 0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.82 1ukp n PHE 285 N -4.53 1.20 -1.61 0.00 3.72 -0.36 -4.85 117.46 111.04 1ukp n PHE 285 Ca 0.05 -0.61 -0.55 0.00 -0.05 0.00 0.00 57.45 56.29 1ukp n PHE 285 Cb 0.08 -0.19 -0.07 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.91 1.49 0.00 4.37 7.94 -0.47 -1.22 117.00 130.02 1ukp n LEU 286 Ca 0.23 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 1ukp n LEU 286 Cb 0.79 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1ukp n LEU 286 CO 0.20 -1.06 0.00 0.61 -1.11 0.00 0.00 177.39 176.02 1ukp n GLY 287 N 2.74 3.02 3.78 -3.96 0.00 -0.13 -4.90 105.19 105.74 1ukp n GLY 287 Ca 0.21 0.00 -0.36 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 -0.68 3.24 -3.98 0.00 5.02 -1.26 0.20 118.16 120.70 1ukp n LYS 289 Ca 0.08 -3.21 -0.09 0.00 -2.02 0.00 0.00 58.31 53.07 1ukp n LYS 289 Cb 0.50 -3.17 -0.08 0.00 -0.02 0.00 0.00 35.03 32.27 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 2.20 0.09 0.12 -0.18 -7.23 -1.26 -4.71 120.40 109.43 1ukp s VAL 290 Ca 0.45 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1ukp s VAL 290 Cb 0.08 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1ukp s VAL 290 CO -0.02 -0.40 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.71 1ukp s LYS 291 N -3.97 2.02 0.32 4.82 -0.14 -0.67 -4.45 119.74 117.67 1ukp s LYS 291 Ca 0.16 -1.11 0.01 0.00 -1.36 0.00 0.00 55.97 53.67 1ukp s LYS 291 Cb 0.04 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1ukp s LYS 291 CO -0.02 0.49 0.51 -0.51 -0.76 0.00 0.00 175.35 175.07 1ukp s LEU 292 N -2.30 4.07 0.10 3.17 1.43 -1.26 -0.11 118.68 123.78 1ukp s LEU 292 Ca 0.21 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 1ukp s LEU 292 Cb -0.11 -3.27 0.08 0.00 0.03 0.00 0.00 46.19 42.92 1ukp s LEU 292 CO 0.13 -0.24 0.66 0.00 0.23 0.00 0.00 176.35 177.13 1ukp s ALA 293 N -2.23 -1.66 0.18 4.21 0.00 -0.18 -0.83 121.76 121.25 1ukp s ALA 293 Ca 0.39 0.69 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1ukp s ALA 293 Cb -0.10 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1ukp s ALA 293 CO 0.34 -0.70 -0.01 0.96 0.00 0.00 0.00 175.76 176.35 1ukp s ILE 294 N -3.31 0.77 -0.17 0.00 -4.36 -0.90 -0.38 121.20 112.85 1ukp s ILE 294 Ca 0.00 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 1ukp s ILE 294 Cb -0.01 -2.11 -0.02 0.00 1.25 0.00 0.00 42.46 41.57 1ukp s ILE 294 CO -0.09 -0.49 -0.05 -0.75 0.24 0.00 0.00 174.94 173.79 1ukp s LYS 295 N -3.89 3.54 -0.15 0.37 2.47 -1.26 -1.35 119.74 119.48 1ukp s LYS 295 Ca 0.23 -0.58 -0.04 0.00 -1.56 0.00 0.00 55.97 54.03 1ukp s LYS 295 Cb 0.06 -2.89 -0.03 0.00 -1.46 0.00 0.00 37.83 33.51 1ukp s LYS 295 CO 0.04 0.12 -0.03 0.08 0.16 0.00 0.00 175.35 175.72 1ukp s VAL 296 N 0.66 3.97 0.51 4.02 1.01 -0.42 -1.44 120.40 128.70 1ukp s VAL 296 Ca -0.03 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1ukp s VAL 296 Cb -0.15 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 1ukp s VAL 296 CO 0.02 0.50 1.07 -0.55 0.00 0.00 0.00 175.10 176.14 1ukp s SER 297 N 0.22 6.13 -0.56 3.32 0.15 -1.26 -4.40 113.70 117.30 1ukp s SER 297 Ca -0.02 1.99 -0.09 0.00 0.70 0.00 0.00 55.95 58.53 1ukp s SER 297 Cb -0.14 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.75 1ukp s SER 297 CO 0.03 -0.93 0.44 -0.83 1.20 0.00 0.00 173.24 173.15 1ukp s GLY 298 N -1.96 2.22 -0.77 9.45 0.00 -1.26 -4.96 107.32 110.03 1ukp s GLY 298 Ca 0.69 -2.78 -0.15 0.00 0.00 0.00 0.00 44.72 42.48 1ukp s GLY 298 CO 0.23 1.14 0.73 -0.42 0.00 0.00 0.00 173.10 174.77 1ukp s ILE 299 N 0.95 5.50 -0.85 0.90 -1.09 -1.26 -4.87 121.20 120.49 1ukp s ILE 299 Ca 0.09 -2.24 0.24 0.00 -2.23 0.00 0.00 60.65 56.51 1ukp s ILE 299 Cb -0.23 -4.45 -0.05 0.00 -1.58 0.00 0.00 42.46 36.14 1ukp s ILE 299 CO -0.02 -1.01 1.23 0.00 -1.23 0.00 0.00 174.94 173.90 1ukp n HIS 300 N 4.32 0.14 -2.84 3.97 1.44 -1.26 -4.72 115.22 116.27 1ukp n HIS 300 Ca 0.09 0.04 -0.41 0.00 -2.01 0.00 0.00 57.72 55.43 1ukp n HIS 300 Cb 0.46 -0.32 -0.04 0.00 0.12 0.00 0.00 29.99 30.21 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 -3.08 3.65 0.00 -1.40 -2.14 -1.26 -1.51 118.94 113.20 1ukp s TRP 301 Ca 0.08 1.55 0.00 0.00 2.66 0.00 0.00 56.10 60.39 1ukp s TRP 301 Cb 0.16 -2.99 0.00 0.00 -3.10 0.00 0.00 33.47 27.54 1ukp s TRP 301 CO 0.75 0.06 0.00 0.91 -2.66 0.00 0.00 176.95 176.02 1ukp n TRP 302 N 3.67 0.00 0.24 1.66 7.02 -0.40 -4.25 117.44 125.38 1ukp n TRP 302 Ca 0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.59 1ukp n TRP 302 Cb 0.51 0.00 0.59 0.00 -2.42 0.00 0.00 31.31 29.99 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 -1.43 -2.75 116.97 110.00 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 0.18 0.00 1.63 -1.64 0.00 0.00 178.16 178.33 1ukp n LYS 304 N -3.93 0.23 -4.32 1.82 4.76 -0.73 -4.85 118.16 111.14 1ukp n LYS 304 Ca -0.02 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.20 1ukp n LYS 304 Cb 0.27 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.73 2.98 0.39 -0.18 -7.23 -1.04 -5.03 120.40 107.56 1ukp s VAL 305 Ca 0.20 -1.74 0.22 0.00 -1.81 0.00 0.00 61.98 58.85 1ukp s VAL 305 Cb 0.17 -2.46 0.40 0.00 0.56 0.00 0.00 36.38 35.05 1ukp s VAL 305 CO 0.42 -0.10 1.64 -0.33 -0.31 0.00 0.00 175.10 176.42 1ukp h GLU 306 N 3.02 0.18 0.00 4.82 5.08 -1.88 -2.19 114.58 123.60 1ukp h GLU 306 Ca -0.47 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1ukp h GLU 306 Cb 1.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ukp h GLU 306 CO 0.52 0.12 -0.15 -2.95 -1.00 0.00 0.00 179.01 175.55 1ukp h ASN 307 N 0.18 0.00 -7.01 1.42 -1.07 -1.86 -3.40 115.58 103.84 1ukp h ASN 307 Ca 0.78 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 56.55 1ukp h ASN 307 Cb 2.10 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 38.11 1ukp h ASN 307 CO -0.54 0.15 -0.92 1.41 0.07 0.00 0.00 177.43 177.60 1ukp n HIS 308 N -3.14 -1.34 -0.25 4.14 8.25 -0.83 -4.78 115.22 117.28 1ukp n HIS 308 Ca 0.03 0.68 0.04 0.00 -0.26 0.00 0.00 57.72 58.21 1ukp n HIS 308 Cb 0.58 -2.63 0.17 0.00 1.12 0.00 0.00 29.99 29.23 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 0.84 1.00 -0.87 -1.41 0.00 -1.88 -1.78 119.26 115.17 1ukp h ALA 309 Ca -0.63 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1ukp h ALA 309 Cb 1.39 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1ukp h ALA 309 CO 0.77 -0.20 0.44 0.00 0.00 0.00 0.00 179.25 180.26 1ukp h ALA 310 N 1.52 1.11 -0.38 0.00 0.00 -1.74 -2.21 119.26 117.57 1ukp h ALA 310 Ca 0.39 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1ukp h ALA 310 Cb 0.57 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ukp h ALA 310 CO -0.39 0.65 -0.21 0.93 0.00 0.00 0.00 179.25 180.23 1ukp h GLU 311 N 1.22 0.81 -0.47 0.00 5.08 -1.70 -2.87 114.58 116.65 1ukp h GLU 311 Ca 0.30 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ukp h GLU 311 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1ukp h GLU 311 CO -0.04 1.00 0.27 -0.07 -1.00 0.00 0.00 179.01 179.16 1ukp h LEU 312 N 0.61 0.59 -1.33 1.33 4.07 -1.07 -0.86 115.31 118.65 1ukp h LEU 312 Ca 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1ukp h LEU 312 Cb 0.77 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1ukp h LEU 312 CO 0.06 0.50 -0.15 0.71 -1.08 0.00 0.00 178.44 178.47 1ukp h THR 313 N 0.63 0.42 0.00 0.22 1.35 -1.45 -2.56 112.91 111.52 1ukp h THR 313 Ca 0.17 -0.88 -0.13 0.00 -0.55 0.00 0.00 66.41 65.01 1ukp h THR 313 Cb 0.04 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1ukp h THR 313 CO -0.03 0.15 -0.64 0.00 -0.25 0.00 0.00 175.52 174.75 1ukp h ALA 314 N 1.85 0.78 0.00 6.62 0.00 -1.18 -3.42 119.26 123.91 1ukp h ALA 314 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ukp h ALA 314 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ukp h ALA 314 CO 0.02 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1ukp n GLY 315 N 0.65 1.02 3.45 0.00 0.00 -0.70 -0.61 105.19 109.02 1ukp n GLY 315 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.98 3.21 -1.39 1.61 2.02 -0.41 -4.32 117.35 116.08 1ukp s TYR 316 Ca 0.00 -0.58 -0.14 0.00 -0.37 0.00 0.00 57.07 55.97 1ukp s TYR 316 Cb 0.00 -2.86 0.07 0.00 -0.40 0.00 0.00 41.96 38.77 1ukp s TYR 316 CO 0.00 -0.70 2.03 0.98 -1.57 0.00 0.00 175.55 176.29 1ukp n TYR 317 N 5.38 3.80 -4.11 2.71 -0.00 -1.26 -3.21 117.16 120.47 1ukp n TYR 317 Ca -0.10 -2.94 -0.35 0.00 -0.00 0.00 0.00 57.90 54.51 1ukp n TYR 317 Cb 0.46 -2.48 -0.13 0.00 -0.00 0.00 0.00 39.34 37.19 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 3.12 4.60 0.24 2.98 2.47 -1.26 -3.39 114.94 123.71 1ukp s ASN 318 Ca 0.47 -0.26 0.01 0.00 0.42 0.00 0.00 52.86 53.50 1ukp s ASN 318 Cb 0.10 -1.78 -0.05 0.00 -1.45 0.00 0.00 41.25 38.08 1ukp s ASN 318 CO -0.03 0.05 0.11 -0.76 -3.72 0.00 0.00 177.10 172.75 1ukp s LEU 319 N 1.05 1.49 0.50 3.21 1.43 -0.53 -4.67 118.68 121.16 1ukp s LEU 319 Ca 0.01 -1.39 0.26 0.00 -1.03 0.00 0.00 54.13 51.98 1ukp s LEU 319 Cb -0.15 0.13 1.34 0.00 0.03 0.00 0.00 46.19 47.55 1ukp s LEU 319 CO 0.01 -0.77 1.90 0.78 0.23 0.00 0.00 176.35 178.50 1ukp h ASN 320 N 2.45 0.13 -0.00 2.29 4.21 -1.91 -2.05 115.58 120.69 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 1.25 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1ukp h ASN 320 CO 0.58 0.05 -0.15 -0.90 -1.29 0.00 0.00 177.43 175.73 1ukp n ASP 321 N -4.37 2.18 -3.43 5.81 5.75 -1.26 -4.95 116.55 116.28 1ukp n ASP 321 Ca 0.17 -3.33 -0.15 0.00 -0.01 0.00 0.00 54.79 51.47 1ukp n ASP 321 Cb 0.81 -0.46 -0.11 0.00 -1.03 0.00 0.00 41.12 40.33 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 -2.99 0.26 -0.54 0.11 3.52 -0.77 -4.55 118.95 113.99 1ukp s ARG 322 Ca 0.34 0.28 -0.28 0.00 -0.13 0.00 0.00 55.73 55.95 1ukp s ARG 322 Cb 0.31 -0.91 0.00 0.00 -1.56 0.00 0.00 34.95 32.79 1ukp s ARG 322 CO 0.00 -0.69 1.57 0.34 -0.81 0.00 0.00 175.30 175.72 1ukp s ASP 323 N 2.40 5.90 0.00 -2.12 -1.08 0.83 -1.45 116.67 121.15 1ukp s ASP 323 Ca 0.09 0.45 0.30 0.00 -0.52 0.00 0.00 52.55 52.87 1ukp s ASP 323 Cb -0.15 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.27 1ukp s ASP 323 CO -0.15 -1.86 2.00 0.61 0.52 0.00 0.00 175.17 176.29 1ukp n GLY 324 N 5.38 -0.60 0.07 2.66 0.00 -1.22 -4.18 105.19 107.30 1ukp n GLY 324 Ca 0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.53 0.00 -0.18 1.61 4.01 -1.26 -4.49 117.16 116.31 1ukp n TYR 325 Ca 0.21 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 58.10 1ukp n TYR 325 Cb 0.22 -0.55 0.49 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.00 0.43 -0.22 -0.72 2.43 -1.80 0.43 114.38 114.92 1ukp h ARG 326 Ca -0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1ukp h ARG 326 Cb 1.50 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1ukp h ARG 326 CO -0.05 0.28 0.07 -1.35 -1.51 0.00 0.00 179.97 177.42 1ukp h PRO 327 N 0.44 0.31 -0.54 0.20 0.11 -1.77 -0.83 132.00 129.93 1ukp h PRO 327 Ca 0.38 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.36 1ukp h PRO 327 Cb 0.85 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1ukp h PRO 327 CO -0.13 0.27 -0.07 0.82 -0.21 0.00 0.00 178.00 178.69 1ukp h ILE 328 N 0.31 1.27 -0.69 4.15 2.04 -1.18 -1.90 117.51 121.51 1ukp h ILE 328 Ca 0.08 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1ukp h ILE 328 Cb 0.09 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1ukp h ILE 328 CO -0.01 0.43 0.24 0.00 0.00 0.00 0.00 178.15 178.81 1ukp h ALA 329 N 0.93 0.90 -0.30 1.87 0.00 -1.07 -1.55 119.26 120.04 1ukp h ALA 329 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ukp h ALA 329 Cb 0.62 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ukp h ALA 329 CO 0.04 0.55 -0.08 -0.09 0.00 0.00 0.00 179.25 179.67 1ukp h ARG 330 N 1.00 0.49 -0.56 0.00 2.43 -1.00 -1.88 114.38 114.86 1ukp h ARG 330 Ca 0.23 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1ukp h ARG 330 Cb 0.26 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1ukp h ARG 330 CO -0.01 0.58 -0.02 1.98 -1.51 0.00 0.00 179.97 180.99 1ukp h MET 331 N 0.46 1.00 0.00 0.20 4.05 -0.84 -2.64 114.93 117.16 1ukp h MET 331 Ca 0.09 -0.32 -0.04 0.00 -0.28 0.00 0.00 59.70 59.14 1ukp h MET 331 Cb 0.42 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1ukp h MET 331 CO 0.02 1.00 -0.21 -0.07 0.23 0.00 0.00 176.91 177.89 1ukp h LEU 332 N 0.88 0.00 -0.53 3.39 3.38 -0.66 -3.21 115.31 118.55 1ukp h LEU 332 Ca 0.16 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1ukp h LEU 332 Cb 0.56 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 1ukp h LEU 332 CO 0.03 0.21 -0.16 0.28 0.09 0.00 0.00 178.44 178.89 1ukp h SER 333 N 0.00 -0.58 0.43 -0.43 0.02 -0.97 -0.88 113.55 111.14 1ukp h SER 333 Ca -0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ukp h SER 333 Cb 0.45 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1ukp h SER 333 CO 0.03 -0.20 0.00 0.08 -1.14 0.00 0.00 176.83 175.60 1ukp h ARG 334 N -0.03 0.00 -0.02 3.45 0.11 -1.69 -1.75 114.38 114.45 1ukp h ARG 334 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1ukp h ARG 334 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1ukp h ARG 334 CO -0.57 0.00 -0.15 0.72 0.10 0.00 0.00 179.97 180.07 1ukp n HIS 335 N -2.97 0.00 -2.46 4.08 8.25 -0.42 0.14 115.22 121.84 1ukp n HIS 335 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 1ukp n HIS 335 Cb 0.17 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 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 0.81 -1.14 -2.64 4.41 8.25 -0.66 -4.82 115.22 119.42 1ukp n HIS 336 Ca 0.11 0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.35 1ukp n HIS 336 Cb 0.51 -3.85 0.01 0.00 1.12 0.00 0.00 29.99 27.78 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 -3.00 3.43 -0.05 -1.41 0.00 -1.02 -4.58 121.76 115.13 1ukp s ALA 337 Ca 0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1ukp s ALA 337 Cb -0.01 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1ukp s ALA 337 CO 0.03 -0.46 0.27 0.42 0.00 0.00 0.00 175.76 176.02 1ukp s ILE 338 N -2.77 5.29 -0.40 0.00 1.01 -0.01 -4.29 121.20 120.02 1ukp s ILE 338 Ca 0.49 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 61.44 1ukp s ILE 338 Cb -0.10 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.84 1ukp s ILE 338 CO 0.44 0.56 0.29 -0.22 0.00 0.00 0.00 174.94 176.01 1ukp s LEU 339 N -1.18 5.06 -0.32 2.97 0.20 -0.59 -2.11 118.68 122.71 1ukp s LEU 339 Ca 0.21 -0.86 -0.17 0.00 0.69 0.00 0.00 54.13 53.99 1ukp s LEU 339 Cb -0.14 -2.16 -0.01 0.00 -0.43 0.00 0.00 46.19 43.45 1ukp s LEU 339 CO 0.10 -0.43 0.48 0.21 -0.29 0.00 0.00 176.35 176.41 1ukp s ASN 340 N 1.68 6.32 0.00 3.68 3.04 -0.45 -0.85 114.94 128.35 1ukp s ASN 340 Ca 0.05 0.12 0.00 0.00 0.04 0.00 0.00 52.86 53.07 1ukp s ASN 340 Cb -0.19 -2.26 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 1ukp s ASN 340 CO 0.10 -0.38 0.00 0.33 -3.04 0.00 0.00 177.10 174.11 1ukp n PHE 341 N 5.60 -0.02 -2.55 0.43 7.35 0.77 -1.30 117.46 127.73 1ukp n PHE 341 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 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 -0.01 0.00 -1.66 -2.13 5.66 -1.26 -1.51 114.28 113.37 1ukp n THR 342 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1ukp n THR 342 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 -0.72 0.00 4.07 -1.81 -2.70 115.31 114.14 1ukp h LEU 344 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1ukp h LEU 344 Cb 1.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1ukp h LEU 344 CO 0.61 0.00 -0.58 -1.84 -1.08 0.00 0.00 178.44 175.54 1ukp n GLU 345 N -3.07 1.06 -2.95 1.13 0.00 -1.26 -2.94 120.64 112.60 1ukp n GLU 345 Ca -0.02 -0.71 -0.37 0.00 0.00 0.00 0.00 57.16 56.06 1ukp n GLU 345 Cb 0.15 -1.44 -0.06 0.00 0.00 0.00 0.00 31.44 30.08 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 -2.51 4.44 -0.01 3.44 -1.94 -1.02 -4.74 119.30 116.97 1ukp s MET 346 Ca 0.15 1.10 0.07 0.00 -1.71 0.00 0.00 55.69 55.30 1ukp s MET 346 Cb 0.17 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 34.07 1ukp s MET 346 CO 0.62 0.38 -0.22 1.03 -0.01 0.00 0.00 175.02 176.82 1ukp s ARG 347 N -1.86 1.69 0.51 2.03 0.52 -1.26 -4.39 118.95 116.19 1ukp s ARG 347 Ca 0.45 -0.80 0.23 0.00 -0.52 0.00 0.00 55.73 55.08 1ukp s ARG 347 Cb -0.19 -1.67 1.32 0.00 0.52 0.00 0.00 34.95 34.93 1ukp s ARG 347 CO 0.23 0.45 1.98 -0.44 0.02 0.00 0.00 175.30 177.55 1ukp h ASP 348 N 5.47 0.09 0.62 0.23 5.19 -1.96 -0.01 116.42 126.05 1ukp h ASP 348 Ca -0.40 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1ukp h ASP 348 Cb 1.14 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1ukp h ASP 348 CO 0.47 0.05 -0.01 0.77 -3.12 0.00 0.00 179.24 177.40 1ukp h SER 349 N 0.09 0.00 0.55 6.45 4.64 -1.95 -2.66 113.55 120.67 1ukp h SER 349 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1ukp h SER 349 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1ukp h SER 349 CO -0.03 0.01 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.14 1ukp n GLU 350 N -3.12 0.36 -3.96 4.77 1.02 -0.02 -4.86 120.64 114.83 1ukp n GLU 350 Ca -0.01 -0.13 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 1ukp n GLU 350 Cb 0.22 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.73 3.33 0.29 3.49 -1.52 -1.00 -5.05 119.66 116.46 1ukp s GLN 351 Ca 0.21 -0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 52.96 1ukp s GLN 351 Cb 0.19 -3.03 -0.10 0.00 -0.22 0.00 0.00 33.01 29.85 1ukp s GLN 351 CO 0.54 0.67 1.45 -1.25 -0.25 0.00 0.00 175.29 176.46 1ukp s PRO 352 N -1.86 4.23 0.48 2.91 0.04 -1.26 -4.89 135.00 134.66 1ukp s PRO 352 Ca 0.26 2.38 0.22 0.00 0.04 0.00 0.00 61.00 63.90 1ukp s PRO 352 Cb -0.12 -3.06 1.26 0.00 0.04 0.00 0.00 34.50 32.61 1ukp s PRO 352 CO 0.17 -0.44 1.94 0.77 0.04 0.00 0.00 177.00 179.48 1ukp h SER 353 N 4.39 0.17 0.49 6.66 0.02 -1.96 -0.44 113.55 122.89 1ukp h SER 353 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ukp h SER 353 Cb 1.22 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ukp h SER 353 CO 0.74 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 175.61 1ukp n ASP 354 N -4.41 0.57 0.07 3.07 5.75 -1.26 -2.17 116.55 118.17 1ukp n ASP 354 Ca 0.14 0.67 0.12 0.00 -0.01 0.00 0.00 54.79 55.71 1ukp n ASP 354 Cb 0.64 -0.78 0.29 0.00 -1.03 0.00 0.00 41.12 40.24 1ukp n ASP 354 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukp n ALA 355 N -1.74 2.68 -4.07 2.12 0.00 -0.17 -4.93 120.51 114.38 1ukp n ALA 355 Ca 0.01 -0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1ukp n ALA 355 Cb 0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1ukp n ALA 355 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ukp n LYS 356 N -2.10 -3.40 -3.07 0.00 4.76 -0.92 -1.28 118.16 112.16 1ukp n LYS 356 Ca 0.04 0.40 -0.39 0.00 -2.87 0.00 0.00 58.31 55.49 1ukp n LYS 356 Cb 0.42 -4.85 -0.05 0.00 -1.84 0.00 0.00 35.03 28.71 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 -3.81 7.18 -0.39 4.39 0.15 -1.26 -1.77 113.70 118.19 1ukp s SER 357 Ca 0.38 1.40 0.12 0.00 0.70 0.00 0.00 55.95 58.56 1ukp s SER 357 Cb -0.21 -2.44 0.38 0.00 -1.71 0.00 0.00 66.02 62.05 1ukp s SER 357 CO 0.90 0.11 0.84 0.61 1.20 0.00 0.00 173.24 176.90 1ukp n GLY 358 N 2.16 3.50 0.35 9.45 0.00 -0.57 -4.84 105.19 115.23 1ukp n GLY 358 Ca -0.05 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 2.97 0.90 -0.15 1.61 0.13 -1.91 -0.70 132.00 134.84 1ukp h PRO 359 Ca 0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ukp h PRO 359 Cb 0.96 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1ukp h PRO 359 CO 0.57 0.59 0.10 1.96 -0.23 0.00 0.00 178.00 180.99 1ukp h GLN 360 N 0.93 0.20 -0.42 0.86 4.20 -1.89 -0.55 115.11 118.44 1ukp h GLN 360 Ca 0.48 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 59.10 1ukp h GLN 360 Cb 0.49 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1ukp h GLN 360 CO -0.27 0.13 -0.06 0.93 -0.67 0.00 0.00 178.83 178.89 1ukp h GLU 361 N 0.20 0.71 -0.19 1.46 3.07 -1.84 -2.53 114.58 115.46 1ukp h GLU 361 Ca 0.05 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1ukp h GLU 361 Cb -0.02 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1ukp h GLU 361 CO -0.01 0.76 0.03 1.25 -1.40 0.00 0.00 179.01 179.64 1ukp h LEU 362 N 0.66 0.30 -0.41 1.33 5.85 -0.78 -1.66 115.31 120.59 1ukp h LEU 362 Ca 0.12 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ukp h LEU 362 Cb 0.49 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1ukp h LEU 362 CO 0.03 0.48 0.18 0.58 -0.34 0.00 0.00 178.44 179.37 1ukp h VAL 363 N 0.11 0.94 -0.82 1.05 2.07 -1.03 -1.10 116.25 117.47 1ukp h VAL 363 Ca 0.06 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1ukp h VAL 363 Cb 0.30 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1ukp h VAL 363 CO 0.00 0.07 0.51 1.56 0.02 0.00 0.00 177.57 179.73 1ukp h GLN 364 N 0.37 0.91 -0.04 1.57 4.20 -1.30 -0.15 115.11 120.67 1ukp h GLN 364 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1ukp h GLN 364 Cb 0.12 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1ukp h GLN 364 CO -0.15 0.60 -0.01 0.37 -0.67 0.00 0.00 178.83 178.97 1ukp h GLN 365 N 0.93 0.08 -0.11 1.46 4.15 -0.71 -1.64 115.11 119.28 1ukp h GLN 365 Ca 0.36 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 1ukp h GLN 365 Cb 0.15 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1ukp h GLN 365 CO -0.17 0.42 0.05 0.28 -1.93 0.00 0.00 178.83 177.49 1ukp h VAL 366 N -0.26 1.12 -0.40 2.39 2.07 -1.02 -0.25 116.25 119.89 1ukp h VAL 366 Ca 0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1ukp h VAL 366 Cb 0.39 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ukp h VAL 366 CO 0.00 0.10 0.21 -0.07 0.02 0.00 0.00 177.57 177.84 1ukp h LEU 367 N 0.06 0.51 -0.39 2.57 4.07 -1.10 -1.50 115.31 119.54 1ukp h LEU 367 Ca 0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1ukp h LEU 367 Cb 0.12 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1ukp h LEU 367 CO -0.00 0.48 0.23 0.28 -1.08 0.00 0.00 178.44 178.34 1ukp h SER 368 N 0.52 0.47 -0.33 -0.43 0.02 -1.19 -1.37 113.55 111.23 1ukp h SER 368 Ca 0.14 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1ukp h SER 368 Cb 0.09 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1ukp h SER 368 CO -0.02 0.39 0.09 1.23 -1.14 0.00 0.00 176.83 177.38 1ukp h GLY 369 N 0.51 0.40 0.79 -3.77 0.00 -0.89 -0.41 103.07 99.70 1ukp h GLY 369 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1ukp h GLY 369 CO -0.03 0.00 0.14 -1.33 0.00 0.00 0.00 176.54 175.32 1ukp h GLY 370 N 0.22 0.42 2.00 4.60 0.00 -0.89 -2.23 103.07 107.19 1ukp h GLY 370 Ca 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1ukp h GLY 370 CO -0.18 0.06 -0.24 1.49 0.00 0.00 0.00 176.54 177.67 1ukp h TRP 371 N 0.29 0.00 -0.03 5.60 6.55 -0.86 -1.87 115.95 125.63 1ukp h TRP 371 Ca 0.14 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.86 1ukp h TRP 371 Cb 0.08 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.37 1ukp h TRP 371 CO -0.12 0.24 -0.53 0.00 -1.05 0.00 0.00 178.44 176.98 1ukp h ARG 372 N 0.00 0.08 -0.14 0.49 2.47 -0.55 -2.36 114.38 114.37 1ukp h ARG 372 Ca -0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1ukp h ARG 372 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1ukp h ARG 372 CO 0.03 0.59 0.00 0.39 0.56 0.00 0.00 179.97 181.54 1ukp n GLU 373 N -3.91 1.64 -3.49 0.04 -0.58 -0.75 -4.95 120.64 108.64 1ukp n GLU 373 Ca -0.02 -0.96 -0.21 0.00 -0.42 0.00 0.00 57.16 55.55 1ukp n GLU 373 Cb 0.55 -1.38 0.08 0.00 -0.57 0.00 0.00 31.44 30.12 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 0.19 -2.54 -4.55 -0.32 4.01 -0.89 -4.91 117.16 108.15 1ukp n TYR 374 Ca 0.16 0.96 -0.26 0.00 -0.16 0.00 0.00 57.90 58.60 1ukp n TYR 374 Cb 0.30 -4.93 -0.11 0.00 -0.31 0.00 0.00 39.34 34.29 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 -3.32 2.16 0.26 -0.72 -4.36 -0.93 -5.03 121.20 109.25 1ukp s ILE 375 Ca 0.36 -2.17 -0.23 0.00 -0.26 0.00 0.00 60.65 58.35 1ukp s ILE 375 Cb -0.16 -2.68 -0.09 0.00 1.25 0.00 0.00 42.46 40.78 1ukp s ILE 375 CO 0.70 -0.18 0.82 -0.13 0.24 0.00 0.00 174.94 176.39 1ukp s ARG 376 N -3.63 4.41 -0.08 0.37 0.52 -1.26 -4.35 118.95 114.93 1ukp s ARG 376 Ca 0.33 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.63 1ukp s ARG 376 Cb 0.04 -2.87 0.02 0.00 0.52 0.00 0.00 34.95 32.65 1ukp s ARG 376 CO 0.16 0.36 -0.12 0.08 0.02 0.00 0.00 175.30 175.81 1ukp s VAL 377 N -1.54 1.14 0.47 3.52 1.01 -1.26 -1.55 120.40 122.20 1ukp s VAL 377 Ca 0.46 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1ukp s VAL 377 Cb -0.18 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1ukp s VAL 377 CO 0.22 0.36 0.01 0.00 0.00 0.00 0.00 175.10 175.70 1ukp s ALA 378 N 0.90 3.70 0.17 5.51 0.00 -0.03 -0.19 121.76 131.81 1ukp s ALA 378 Ca -0.10 -1.06 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 1ukp s ALA 378 Cb -0.15 0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.18 1ukp s ALA 378 CO 0.01 -0.08 0.98 0.20 0.00 0.00 0.00 175.76 176.86 1ukp s GLY 379 N -3.80 -0.14 0.22 0.00 0.00 -1.10 -0.17 107.32 102.34 1ukp s GLY 379 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.90 1ukp s GLY 379 CO 0.09 0.48 0.07 -0.54 0.00 0.00 0.00 173.10 173.20 1ukp s GLU 380 N -3.00 1.26 0.20 2.90 2.02 -0.57 -1.33 118.70 120.18 1ukp s GLU 380 Ca 0.14 -1.66 -0.20 0.00 0.02 0.00 0.00 54.97 53.28 1ukp s GLU 380 Cb -0.02 -0.15 -0.08 0.00 0.10 0.00 0.00 34.13 33.98 1ukp s GLU 380 CO 0.03 -0.26 0.71 0.54 0.02 0.00 0.00 175.26 176.30 1ukp s ASN 381 N -3.23 7.09 -0.03 -0.19 4.22 -1.25 -2.31 114.94 119.23 1ukp s ASN 381 Ca 0.33 1.42 -0.25 0.00 -2.14 0.00 0.00 52.86 52.22 1ukp s ASN 381 Cb 0.07 -2.42 -0.21 0.00 1.28 0.00 0.00 41.25 39.97 1ukp s ASN 381 CO 0.10 0.08 1.15 0.00 -2.04 0.00 0.00 177.10 176.39 1ukp h ALA 382 N 3.62 0.05 -2.61 3.54 0.00 -1.90 -3.43 119.26 118.52 1ukp h ALA 382 Ca -0.48 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.51 1ukp h ALA 382 Cb 1.20 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1ukp h ALA 382 CO 0.65 -0.07 -0.78 -0.51 0.00 0.00 0.00 179.25 178.55 1ukp s LEU 383 N -8.89 2.51 0.21 0.00 1.43 -1.26 -4.99 118.68 107.69 1ukp s LEU 383 Ca -0.16 -0.95 -0.32 0.00 -1.03 0.00 0.00 54.13 51.67 1ukp s LEU 383 Cb 0.01 -0.97 -0.13 0.00 0.03 0.00 0.00 46.19 45.14 1ukp s LEU 383 CO 0.71 0.00 1.66 -2.65 0.23 0.00 0.00 176.35 176.30 1ukp n PRO 384 N -0.14 2.58 -3.80 1.29 -0.02 -1.26 -4.99 135.00 128.66 1ukp n PRO 384 Ca -0.09 0.93 -0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1ukp n PRO 384 Cb 0.58 -2.74 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 1ukp n PRO 384 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ukp s ARG 385 N 0.82 0.29 0.00 -0.52 1.81 -1.26 -5.04 118.95 115.05 1ukp s ARG 385 Ca 0.74 0.28 0.00 0.00 -1.72 0.00 0.00 55.73 55.03 1ukp s ARG 385 Cb -0.55 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.08 1ukp s ARG 385 CO 0.36 -0.04 0.34 0.66 -0.68 0.00 0.00 175.30 175.94 1ukp n TYR 386 N 2.85 0.00 -3.05 -0.53 4.01 -1.26 -5.00 117.16 114.18 1ukp n TYR 386 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.31 1ukp n TYR 386 Cb 0.58 0.00 -0.04 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 -0.06 6.54 0.24 7.72 -4.77 -1.26 -4.86 116.67 120.22 1ukp s ASP 387 Ca 0.00 1.03 -0.07 0.00 -3.30 0.00 0.00 52.55 50.21 1ukp s ASP 387 Cb 0.00 -2.28 0.23 0.00 -1.09 0.00 0.00 42.92 39.78 1ukp s ASP 387 CO 0.00 -0.30 1.89 0.00 0.70 0.00 0.00 175.17 177.46 1ukp h ALA 388 N 1.56 1.19 -0.88 2.11 0.00 -1.98 -2.44 119.26 118.83 1ukp h ALA 388 Ca -0.47 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.46 1ukp h ALA 388 Cb 1.19 -0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1ukp h ALA 388 CO 0.65 0.64 0.51 1.15 0.00 0.00 0.00 179.25 182.20 1ukp h THR 389 N 1.29 0.84 -0.36 0.00 2.02 -2.00 0.78 112.91 115.48 1ukp h THR 389 Ca 0.34 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 1ukp h THR 389 Cb -0.07 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 1ukp h THR 389 CO -0.06 0.14 -0.18 0.00 0.37 0.00 0.00 175.52 175.79 1ukp h ALA 390 N 1.52 0.51 -0.53 6.16 0.00 -1.74 -2.90 119.26 122.29 1ukp h ALA 390 Ca 0.45 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ukp h ALA 390 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ukp h ALA 390 CO -0.30 0.44 -0.04 1.88 0.00 0.00 0.00 179.25 181.23 1ukp h TYR 391 N 0.55 1.01 -0.75 0.00 0.05 -1.03 -2.35 116.97 114.44 1ukp h TYR 391 Ca 0.08 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1ukp h TYR 391 Cb 0.72 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 1ukp h TYR 391 CO 0.06 0.93 0.40 -0.91 -1.05 0.00 0.00 178.16 177.59 1ukp h ASN 392 N 0.85 0.94 -0.49 3.88 2.35 -0.84 -0.56 115.58 121.71 1ukp h ASN 392 Ca 0.15 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1ukp h ASN 392 Cb 0.56 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1ukp h ASN 392 CO 0.03 0.77 -0.11 -0.61 -1.65 0.00 0.00 177.43 175.86 1ukp h GLN 393 N 1.05 0.97 -0.05 0.81 5.75 -1.29 -0.63 115.11 121.72 1ukp h GLN 393 Ca 0.27 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1ukp h GLN 393 Cb 0.04 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 1ukp h GLN 393 CO -0.04 1.02 0.02 0.82 -2.65 0.00 0.00 178.83 178.00 1ukp h ILE 394 N 0.86 1.11 -0.91 2.39 2.04 -0.84 -1.65 117.51 120.51 1ukp h ILE 394 Ca 0.14 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1ukp h ILE 394 Cb 0.66 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 1ukp h ILE 394 CO 0.05 0.09 0.59 0.40 0.00 0.00 0.00 178.15 179.28 1ukp h ILE 395 N -0.04 1.08 -0.04 -0.67 2.04 -0.97 0.14 117.51 119.04 1ukp h ILE 395 Ca 0.02 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ukp h ILE 395 Cb 0.13 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1ukp h ILE 395 CO -0.00 0.19 0.03 0.25 0.00 0.00 0.00 178.15 178.62 1ukp h LEU 396 N 1.05 0.05 -1.60 1.44 5.85 -0.76 -2.53 115.31 118.80 1ukp h LEU 396 Ca 0.39 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1ukp h LEU 396 Cb 0.18 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1ukp h LEU 396 CO -0.14 0.04 -0.16 0.78 -0.34 0.00 0.00 178.44 178.62 1ukp h ASN 397 N 0.05 0.00 0.67 1.25 2.35 -0.34 -1.84 115.58 117.73 1ukp h ASN 397 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1ukp h ASN 397 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1ukp h ASN 397 CO -0.00 0.16 -0.55 0.00 -1.65 0.00 0.00 177.43 175.38 1ukp h ALA 398 N 1.84 0.99 -2.03 -0.83 0.00 -0.59 -3.36 119.26 115.28 1ukp h ALA 398 Ca -0.00 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 1ukp h ALA 398 Cb 0.50 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 17.86 1ukp h ALA 398 CO 0.02 0.69 -0.92 0.54 0.00 0.00 0.00 179.25 179.58 1ukp n ARG 399 N -3.74 0.34 -0.34 0.00 1.74 -1.07 -0.67 116.66 112.92 1ukp n ARG 399 Ca -0.01 -2.97 0.24 0.00 -0.77 0.00 0.00 57.85 54.34 1ukp n ARG 399 Cb 0.58 -1.56 0.48 0.00 -1.02 0.00 0.00 32.46 30.95 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 5.21 0.33 -0.47 5.56 0.11 -1.49 0.66 132.00 141.91 1ukp h PRO 400 Ca 0.19 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.15 1ukp h PRO 400 Cb 0.94 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.89 1ukp h PRO 400 CO 0.33 0.22 0.09 1.04 -0.21 0.00 0.00 178.00 179.47 1ukp n GLN 401 N -4.98 2.89 0.00 1.05 6.02 -1.26 -1.72 117.38 119.38 1ukp n GLN 401 Ca 0.31 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 1ukp n GLN 401 Cb 0.99 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 -0.58 -1.43 3.83 1.08 0.00 0.22 -4.87 105.19 103.44 1ukp n GLY 402 Ca 0.32 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 4.51 -0.22 1.61 1.01 -1.26 -4.60 120.40 121.44 1ukp s VAL 403 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 1ukp s VAL 403 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ukp s VAL 403 CO 0.00 -0.31 -0.06 0.21 0.00 0.00 0.00 175.10 174.93 1ukp s ASN 404 N -2.32 4.16 0.39 3.32 2.47 -1.26 -4.97 114.94 116.73 1ukp s ASN 404 Ca 0.59 -0.50 0.28 0.00 0.42 0.00 0.00 52.86 53.65 1ukp s ASN 404 Cb -0.09 -1.70 1.17 0.00 -1.45 0.00 0.00 41.25 39.18 1ukp s ASN 404 CO 0.17 -0.04 1.84 0.78 -3.72 0.00 0.00 177.10 176.12 1ukp h ASN 405 N 8.08 0.00 -1.60 -4.21 2.35 -1.94 -3.30 115.58 114.96 1ukp h ASN 405 Ca -0.41 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.82 1ukp h ASN 405 Cb 1.15 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.11 1ukp h ASN 405 CO 0.61 0.00 -0.88 0.59 -1.65 0.00 0.00 177.43 176.10 1ukp n ASN 406 N -2.60 3.46 0.00 5.81 5.03 -1.26 -4.41 115.26 121.29 1ukp n ASN 406 Ca 0.01 -3.39 0.00 0.00 0.87 0.00 0.00 54.58 52.07 1ukp n ASN 406 Cb 0.26 -0.51 0.00 0.00 -1.02 0.00 0.00 39.78 38.50 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 -0.25 1.15 3.73 7.41 0.00 -1.24 -4.98 105.19 111.01 1ukp n GLY 407 Ca 0.29 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.07 2.24 0.61 1.61 0.04 -1.26 -4.38 135.00 132.79 1ukp s PRO 408 Ca 0.00 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1ukp s PRO 408 Cb 0.00 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1ukp s PRO 408 CO 0.00 -1.74 1.06 -0.35 0.04 0.00 0.00 177.00 176.00 1ukp n PRO 409 N -2.68 0.97 -0.26 0.56 -0.04 -1.26 -4.75 135.00 127.54 1ukp n PRO 409 Ca 0.13 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 64.00 1ukp n PRO 409 Cb 0.51 -2.27 0.26 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.52 0.96 -3.67 0.54 6.56 -1.90 -3.42 116.57 116.15 1ukp h LYS 410 Ca -0.49 -0.06 -0.19 0.00 -1.06 0.00 0.00 60.65 58.85 1ukp h LYS 410 Cb 1.36 -0.22 -0.25 0.00 -0.57 0.00 0.00 32.23 32.55 1ukp h LYS 410 CO 0.51 0.63 -0.64 -0.51 -2.06 0.00 0.00 179.45 177.39 1ukp s LEU 411 N -9.90 1.86 -0.25 2.94 1.43 -1.26 -5.08 118.68 108.42 1ukp s LEU 411 Ca -0.11 -0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.64 1ukp s LEU 411 Cb 0.19 0.25 0.13 0.00 0.03 0.00 0.00 46.19 46.79 1ukp s LEU 411 CO 0.79 -0.14 1.07 -0.94 0.23 0.00 0.00 176.35 177.36 1ukp s SER 412 N -0.55 -0.38 0.62 2.29 1.04 -1.26 -4.17 113.70 111.30 1ukp s SER 412 Ca -0.06 0.64 -0.14 0.00 0.48 0.00 0.00 55.95 56.87 1ukp s SER 412 Cb -0.04 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1ukp s SER 412 CO 0.00 -0.18 1.06 -0.04 0.98 0.00 0.00 173.24 175.06 1ukp s MET 413 N -0.18 3.19 0.36 4.02 -1.94 0.15 -4.82 119.30 120.07 1ukp s MET 413 Ca 0.02 1.15 0.19 0.00 -1.71 0.00 0.00 55.69 55.34 1ukp s MET 413 Cb -0.04 -2.02 0.53 0.00 2.01 0.00 0.00 34.83 35.32 1ukp s MET 413 CO -0.05 -0.91 1.66 0.35 -0.01 0.00 0.00 175.02 176.05 1ukp h PHE 414 N 0.12 0.00 0.00 -0.03 3.57 -0.93 -3.48 116.94 116.20 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 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1ukp h PHE 414 CO 0.59 0.38 0.00 0.41 -2.23 0.00 0.00 178.31 177.46 1ukp n GLY 415 N 0.55 0.35 2.88 2.40 0.00 -1.26 -4.50 105.19 105.60 1ukp n GLY 415 Ca 0.01 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 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 0.30 -0.21 1.61 1.01 -0.88 -2.71 120.40 117.52 1ukp s VAL 416 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1ukp s VAL 416 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1ukp s VAL 416 CO 0.00 0.14 -0.08 -0.89 0.00 0.00 0.00 175.10 174.27 1ukp s THR 417 N 0.61 2.99 -0.02 3.92 2.01 -0.44 -0.58 115.64 124.13 1ukp s THR 417 Ca -0.07 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1ukp s THR 417 Cb -0.10 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1ukp s THR 417 CO -0.01 0.44 0.60 -0.47 -0.69 0.00 0.00 174.62 174.48 1ukp s TYR 418 N 1.42 3.66 -0.22 4.92 5.04 -0.12 -3.83 117.35 128.21 1ukp s TYR 418 Ca 0.05 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 55.79 1ukp s TYR 418 Cb -0.14 -2.63 -0.03 0.00 0.35 0.00 0.00 41.96 39.51 1ukp s TYR 418 CO -0.06 0.31 0.05 -1.17 -1.34 0.00 0.00 175.55 173.34 1ukp s LEU 419 N -0.00 3.47 0.06 6.97 0.20 -1.26 -1.21 118.68 126.90 1ukp s LEU 419 Ca 0.31 -0.14 -0.17 0.00 0.69 0.00 0.00 54.13 54.82 1ukp s LEU 419 Cb -0.18 -1.91 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 1ukp s LEU 419 CO 0.17 0.03 0.39 -0.60 -0.29 0.00 0.00 176.35 176.05 1ukp s ARG 420 N 1.20 0.93 0.22 1.98 3.52 -1.26 -4.58 118.95 120.95 1ukp s ARG 420 Ca 0.04 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 1ukp s ARG 420 Cb -0.14 0.41 -0.10 0.00 -1.56 0.00 0.00 34.95 33.56 1ukp s ARG 420 CO 0.03 -0.32 1.46 -1.17 -0.81 0.00 0.00 175.30 174.48 1ukp s LEU 421 N -2.16 4.38 0.15 -0.88 2.96 0.82 -4.86 118.68 119.10 1ukp s LEU 421 Ca -0.04 2.61 -0.25 0.00 -0.22 0.00 0.00 54.13 56.24 1ukp s LEU 421 Cb -0.00 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.14 1ukp s LEU 421 CO -0.04 -0.71 0.98 -0.94 -1.32 0.00 0.00 176.35 174.32 1ukp s SER 422 N 0.58 -0.15 0.45 3.68 1.04 -1.26 -3.94 113.70 114.10 1ukp s SER 422 Ca 0.62 -0.44 0.24 0.00 0.48 0.00 0.00 55.95 56.85 1ukp s SER 422 Cb -0.42 0.48 1.02 0.00 0.10 0.00 0.00 66.02 67.21 1ukp s SER 422 CO 0.39 -0.90 1.87 0.44 0.98 0.00 0.00 173.24 176.03 1ukp h ASP 423 N 2.00 0.00 -0.60 7.02 3.32 -1.99 -2.74 116.42 123.43 1ukp h ASP 423 Ca -0.25 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 1ukp h ASP 423 Cb 1.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1ukp h ASP 423 CO 0.27 0.22 0.13 0.44 -1.72 0.00 0.00 179.24 178.58 1ukp h ASP 424 N 0.00 0.95 -0.16 6.45 3.45 -1.96 -2.03 116.42 123.12 1ukp h ASP 424 Ca -0.00 -0.20 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 1ukp h ASP 424 Cb 0.67 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 1ukp h ASP 424 CO 0.03 0.93 -0.04 0.25 -1.57 0.00 0.00 179.24 178.84 1ukp h LEU 425 N 0.95 0.41 0.00 1.55 5.85 -1.82 -2.57 115.31 119.68 1ukp h LEU 425 Ca 0.20 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ukp h LEU 425 Cb 0.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1ukp h LEU 425 CO 0.00 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.79 1ukp n LEU 426 N -4.28 0.00 -4.75 2.25 4.32 -0.80 -2.18 117.00 111.55 1ukp n LEU 426 Ca 0.01 0.36 -0.39 0.00 -0.02 0.00 0.00 56.01 55.97 1ukp n LEU 426 Cb 0.25 -0.36 0.04 0.00 -1.62 0.00 0.00 43.42 41.73 1ukp n LEU 426 CO 0.39 -0.01 1.02 -1.10 -1.22 0.00 0.00 177.39 176.46 1ukp s GLN 427 N -2.72 3.24 0.16 3.23 -0.21 -0.97 -4.66 119.66 117.72 1ukp s GLN 427 Ca 0.23 2.31 -0.29 0.00 0.02 0.00 0.00 55.36 57.63 1ukp s GLN 427 Cb 0.19 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 1ukp s GLN 427 CO 0.47 -1.14 1.55 -0.22 -2.12 0.00 0.00 175.29 173.84 1ukp h LYS 428 N 1.63 -0.21 0.37 2.91 3.64 -1.90 0.15 116.57 123.16 1ukp h LYS 428 Ca -0.51 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ukp h LYS 428 Cb 1.29 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1ukp h LYS 428 CO 0.58 -0.14 -0.32 0.77 -2.27 0.00 0.00 179.45 178.07 1ukp h SER 429 N -0.22 -0.85 -0.38 4.20 0.02 -1.94 -0.93 113.55 113.44 1ukp h SER 429 Ca 0.15 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1ukp h SER 429 Cb 0.54 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1ukp h SER 429 CO -0.73 -0.47 0.23 0.78 -1.14 0.00 0.00 176.83 175.50 1ukp h ASN 430 N -0.70 0.37 -0.49 3.07 2.35 -1.76 -2.91 115.58 115.51 1ukp h ASN 430 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1ukp h ASN 430 Cb 0.62 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1ukp h ASN 430 CO -0.03 0.27 0.19 0.15 -1.65 0.00 0.00 177.43 176.35 1ukp h PHE 431 N 0.46 0.81 -0.11 1.19 3.57 -0.20 -1.02 116.94 121.64 1ukp h PHE 431 Ca 0.15 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1ukp h PHE 431 Cb -0.00 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1ukp h PHE 431 CO -0.07 0.65 -0.27 -0.91 -2.23 0.00 0.00 178.31 175.48 1ukp h ASN 432 N 0.78 0.20 0.27 0.41 2.35 -0.98 0.15 115.58 118.76 1ukp h ASN 432 Ca 0.18 -0.06 -0.24 0.00 -0.55 0.00 0.00 56.30 55.64 1ukp h ASN 432 Cb 0.20 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.53 1ukp h ASN 432 CO -0.01 0.48 -0.97 0.40 -1.65 0.00 0.00 177.43 175.67 1ukp h ILE 433 N 0.18 1.37 -0.69 2.81 2.04 -1.26 -3.14 117.51 118.82 1ukp h ILE 433 Ca 0.03 -2.41 -0.04 0.00 1.00 0.00 0.00 64.86 63.43 1ukp h ILE 433 Cb 0.58 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 1ukp h ILE 433 CO 0.04 0.73 0.26 0.15 0.00 0.00 0.00 178.15 179.32 1ukp h PHE 434 N 0.27 1.04 -0.42 1.37 3.57 -0.63 -1.95 116.94 120.20 1ukp h PHE 434 Ca -0.09 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1ukp h PHE 434 Cb 1.61 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 1ukp h PHE 434 CO 0.07 0.81 0.14 0.87 -2.23 0.00 0.00 178.31 177.97 1ukp h LYS 435 N 1.00 0.60 -0.26 1.11 1.57 -0.98 -1.55 116.57 118.06 1ukp h LYS 435 Ca 0.23 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1ukp h LYS 435 Cb 0.22 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ukp h LYS 435 CO -0.02 0.51 -0.50 0.87 -0.57 0.00 0.00 179.45 179.75 1ukp h LYS 436 N 0.59 0.72 -0.44 3.15 1.57 -1.34 -2.14 116.57 118.68 1ukp h LYS 436 Ca 0.14 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ukp h LYS 436 Cb 0.16 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ukp h LYS 436 CO -0.01 1.05 0.28 0.35 -0.57 0.00 0.00 179.45 180.55 1ukp h PHE 437 N 0.57 0.57 -0.36 -1.35 3.57 -0.76 -1.26 116.94 117.91 1ukp h PHE 437 Ca 0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ukp h PHE 437 Cb 1.06 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1ukp h PHE 437 CO 0.06 0.38 0.22 0.28 -2.23 0.00 0.00 178.31 177.02 1ukp h VAL 438 N 0.60 1.11 -0.39 1.41 2.07 -1.18 -0.91 116.25 118.96 1ukp h VAL 438 Ca 0.16 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1ukp h VAL 438 Cb -0.04 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1ukp h VAL 438 CO -0.03 0.11 0.15 0.25 0.02 0.00 0.00 177.57 178.07 1ukp h LEU 439 N 0.48 0.18 -0.76 2.57 5.85 -1.04 -0.65 115.31 121.93 1ukp h LEU 439 Ca 0.13 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1ukp h LEU 439 Cb -0.01 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ukp h LEU 439 CO -0.03 0.14 0.06 0.11 -0.34 0.00 0.00 178.44 178.39 1ukp h LYS 440 N 0.32 1.01 -0.10 1.25 1.79 -0.99 0.44 116.57 120.29 1ukp h LYS 440 Ca 0.18 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1ukp h LYS 440 Cb 0.14 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1ukp h LYS 440 CO -0.17 0.95 -0.14 0.52 -1.08 0.00 0.00 179.45 179.53 1ukp h MET 441 N 0.94 0.15 -0.44 3.15 2.86 -0.80 -0.11 114.93 120.67 1ukp h MET 441 Ca 0.18 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1ukp h MET 441 Cb 0.45 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1ukp h MET 441 CO 0.02 0.30 0.00 0.72 1.06 0.00 0.00 176.91 179.00 1ukp n HIS 442 N -4.30 0.46 -3.68 -0.22 8.25 -0.28 -1.26 115.22 114.19 1ukp n HIS 442 Ca -0.01 -0.19 -0.24 0.00 -0.26 0.00 0.00 57.72 57.01 1ukp n HIS 442 Cb 0.25 -0.07 0.06 0.00 1.12 0.00 0.00 29.99 31.35 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 0.23 -1.52 -1.02 -1.41 0.00 -0.06 -1.74 120.51 115.00 1ukp n ALA 443 Ca 0.09 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 1ukp n ALA 443 Cb 0.33 -4.20 -0.00 0.00 0.00 0.00 0.00 19.45 15.58 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 -2.99 -4.92 -4.97 0.00 8.00 0.06 -4.86 116.55 106.87 1ukp n ASP 444 Ca -0.07 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.23 1ukp n ASP 444 Cb 0.58 -2.47 -0.01 0.00 -0.02 0.00 0.00 41.12 39.20 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 3.35 0.66 -1.24 -1.52 -0.71 -5.03 119.66 113.80 1ukp s GLN 445 Ca 0.00 -0.76 -0.11 0.00 -1.95 0.00 0.00 55.36 52.54 1ukp s GLN 445 Cb 0.00 -2.83 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 1ukp s GLN 445 CO 0.00 0.27 1.06 -0.51 -0.25 0.00 0.00 175.29 175.85 1ukp s ASP 446 N -4.05 5.87 0.23 5.90 -0.00 -1.26 -4.79 116.67 118.57 1ukp s ASP 446 Ca 0.38 1.31 -0.31 0.00 -0.00 0.00 0.00 52.55 53.93 1ukp s ASP 446 Cb -0.09 -2.25 -0.15 0.00 -0.00 0.00 0.00 42.92 40.43 1ukp s ASP 446 CO 0.31 -1.09 1.12 0.00 -0.00 0.00 0.00 175.17 175.51 1ukp n TYR 447 N -2.87 1.36 -4.21 4.23 9.36 -1.26 -4.97 117.16 118.79 1ukp n TYR 447 Ca 0.06 0.67 -0.28 0.00 3.32 0.00 0.00 57.90 61.67 1ukp n TYR 447 Cb 0.55 -2.28 -0.17 0.00 -0.63 0.00 0.00 39.34 36.81 1ukp n TYR 447 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ukp h ALA 449 N 7.72 0.80 -1.96 0.00 0.00 -2.01 -3.43 119.26 120.38 1ukp h ALA 449 Ca -0.32 -0.50 -0.65 0.00 0.00 0.00 0.00 54.91 53.43 1ukp h ALA 449 Cb 1.15 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1ukp h ALA 449 CO 0.47 0.69 0.29 1.21 0.00 0.00 0.00 179.25 181.91 1ukp s ASN 450 N -6.56 6.27 0.57 0.00 2.47 -1.26 -4.91 114.94 111.53 1ukp s ASN 450 Ca 0.01 -0.66 0.29 0.00 0.42 0.00 0.00 52.86 52.92 1ukp s ASN 450 Cb 0.10 -2.36 1.47 0.00 -1.45 0.00 0.00 41.25 39.01 1ukp s ASN 450 CO 0.74 -1.05 1.90 -0.65 -3.72 0.00 0.00 177.10 174.32 1ukp h PRO 451 N 9.14 0.00 -0.74 0.43 0.11 -1.83 0.11 132.00 139.22 1ukp h PRO 451 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1ukp h PRO 451 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1ukp h PRO 451 CO 1.02 0.00 0.38 0.37 -0.21 0.00 0.00 178.00 179.56 1ukp h GLN 452 N 0.00 1.05 -0.11 1.05 4.15 -1.91 0.21 115.11 119.54 1ukp h GLN 452 Ca 0.27 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.59 1ukp h GLN 452 Cb 1.30 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1ukp h GLN 452 CO -0.00 0.79 0.09 0.87 -1.93 0.00 0.00 178.83 178.65 1ukp h LYS 453 N 1.04 0.00 -0.44 1.69 1.57 -1.34 -2.28 116.57 116.82 1ukp h LYS 453 Ca 0.26 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.74 1ukp h LYS 453 Cb 0.07 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.18 1ukp h LYS 453 CO -0.04 0.00 -0.42 2.48 -0.57 0.00 0.00 179.45 180.90 1ukp n TYR 454 N -4.25 1.52 -2.68 -1.35 0.18 -0.66 -4.06 117.16 105.86 1ukp n TYR 454 Ca -0.00 -1.91 -0.21 0.00 1.88 0.00 0.00 57.90 57.66 1ukp n TYR 454 Cb 0.20 -0.43 0.01 0.00 -0.38 0.00 0.00 39.34 38.75 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 -0.96 -5.97 -4.13 9.48 5.03 -0.86 -4.86 115.26 112.99 1ukp n ASN 455 Ca 0.35 -0.14 -0.38 0.00 0.87 0.00 0.00 54.58 55.28 1ukp n ASN 455 Cb 0.88 -4.89 -0.08 0.00 -1.02 0.00 0.00 39.78 34.67 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 -3.10 3.54 0.03 3.10 3.76 0.65 -5.00 115.29 118.27 1ukp s HIS 456 Ca 0.14 -2.67 -0.30 0.00 -0.15 0.00 0.00 55.06 52.08 1ukp s HIS 456 Cb -0.06 -3.30 -0.08 0.00 1.11 0.00 0.00 32.58 30.25 1ukp s HIS 456 CO 0.17 -0.84 1.79 0.00 -0.85 0.00 0.00 174.74 175.00 1ukp s ALA 457 N -0.28 3.64 -0.48 -1.40 0.00 -1.26 -4.11 121.76 117.87 1ukp s ALA 457 Ca 0.19 1.20 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 1ukp s ALA 457 Cb -0.16 -3.77 0.09 0.00 0.00 0.00 0.00 23.12 19.27 1ukp s ALA 457 CO -0.06 -1.37 0.39 0.42 0.00 0.00 0.00 175.76 175.14 1ukp s ILE 458 N 3.69 4.91 0.18 0.00 -1.09 -1.26 -5.06 121.20 122.56 1ukp s ILE 458 Ca 0.80 -1.31 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1ukp s ILE 458 Cb -0.40 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1ukp s ILE 458 CO 0.35 -0.65 -0.09 0.42 -1.23 0.00 0.00 174.94 173.74 1ukp s THR 459 N 1.56 1.26 0.19 2.92 -4.23 -1.26 -5.06 115.64 111.02 1ukp s THR 459 Ca 0.04 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.15 1ukp s THR 459 Cb -0.25 -1.99 -0.10 0.00 1.34 0.00 0.00 72.50 71.49 1ukp s THR 459 CO 0.04 -0.63 1.55 -2.84 -0.54 0.00 0.00 174.62 172.20 1ukp s PRO 460 N -3.75 4.21 0.03 3.99 0.02 -1.26 -4.01 135.00 134.24 1ukp s PRO 460 Ca 0.20 2.38 -0.33 0.00 0.02 0.00 0.00 61.00 63.27 1ukp s PRO 460 Cb 0.03 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.30 1ukp s PRO 460 CO 0.03 -0.58 1.82 -0.11 -0.33 0.00 0.00 177.00 177.84 1ukp n LEU 461 N 3.51 3.61 -4.92 -5.54 7.94 0.13 -4.76 117.00 116.97 1ukp n LEU 461 Ca 0.12 0.99 -0.26 0.00 -1.11 0.00 0.00 56.01 55.75 1ukp n LEU 461 Cb 0.39 -1.44 -0.01 0.00 0.53 0.00 0.00 43.42 42.88 1ukp n LEU 461 CO 0.62 -0.02 0.29 -0.44 -1.11 0.00 0.00 177.39 176.73 1ukp s SER 462 N 3.15 6.31 0.76 1.96 0.01 -1.26 -0.96 113.70 123.66 1ukp s SER 462 Ca 0.87 0.69 -0.13 0.00 1.31 0.00 0.00 55.95 58.68 1ukp s SER 462 Cb -0.61 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 63.54 1ukp s SER 462 CO 0.44 -0.40 1.15 -2.16 0.41 0.00 0.00 173.24 172.69 1ukp s PRO 463 N -4.37 2.10 0.63 12.44 0.04 -1.26 -4.92 135.00 139.65 1ukp s PRO 463 Ca 0.44 1.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 1ukp s PRO 463 Cb -0.10 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1ukp s PRO 463 CO 0.39 -1.82 1.28 -1.12 0.04 0.00 0.00 177.00 175.77 1ukp s SER 464 N -2.52 4.79 0.95 6.66 0.01 -1.26 -4.99 113.70 117.34 1ukp s SER 464 Ca 0.69 2.59 -0.14 0.00 1.31 0.00 0.00 55.95 60.40 1ukp s SER 464 Cb -0.24 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.54 1ukp s SER 464 CO 0.49 -1.88 1.17 0.00 0.41 0.00 0.00 173.24 173.43 1ukp s ALA 465 N -1.43 1.76 0.56 1.44 0.00 0.12 -4.98 121.76 119.23 1ukp s ALA 465 Ca 0.81 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 1ukp s ALA 465 Cb -0.36 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 1ukp s ALA 465 CO 0.39 -2.45 1.08 -2.30 0.00 0.00 0.00 175.76 172.48 1ukp n PRO 466 N -3.87 1.19 -1.68 0.00 -0.02 -1.26 -4.90 135.00 124.45 1ukp n PRO 466 Ca 0.09 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1ukp n PRO 466 Cb 0.59 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.81 1.84 -3.78 -0.52 3.00 -1.26 -4.94 118.16 111.69 1ukp n LYS 467 Ca 0.12 0.65 -0.36 0.00 -0.00 0.00 0.00 58.31 58.72 1ukp n LYS 467 Cb 0.45 -2.28 -0.13 0.00 0.00 0.00 0.00 35.03 33.07 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 -1.18 4.12 0.36 3.15 1.01 -1.26 -5.08 121.20 122.33 1ukp s ILE 468 Ca 0.60 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 1ukp s ILE 468 Cb -0.54 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 1ukp s ILE 468 CO 0.59 0.34 1.48 -2.16 0.00 0.00 0.00 174.94 175.19 1ukp s PRO 469 N 1.59 4.13 0.30 2.79 0.04 -1.26 -4.76 135.00 137.83 1ukp s PRO 469 Ca 0.06 2.54 -0.00 0.00 0.04 0.00 0.00 61.00 63.64 1ukp s PRO 469 Cb -0.15 -2.98 0.69 0.00 0.04 0.00 0.00 34.50 32.10 1ukp s PRO 469 CO 0.02 -0.51 1.56 1.51 0.04 0.00 0.00 177.00 179.62 1ukp n ILE 470 N 0.70 -0.42 -0.01 0.56 0.13 -1.26 0.26 119.36 119.31 1ukp n ILE 470 Ca 0.02 2.21 0.03 0.00 -1.10 0.00 0.00 62.75 63.91 1ukp n ILE 470 Cb 0.39 -3.19 0.38 0.00 -0.84 0.00 0.00 39.64 36.38 1ukp n ILE 470 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1ukp h GLU 471 N 0.00 0.56 -0.19 9.51 9.09 -1.98 0.70 114.58 132.27 1ukp h GLU 471 Ca 0.58 -0.06 -0.18 0.00 0.05 0.00 0.00 59.36 59.75 1ukp h GLU 471 Cb 1.13 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 28.11 1ukp h GLU 471 CO -0.96 0.43 -0.61 0.28 0.05 0.00 0.00 179.01 178.20 1ukp h VAL 472 N 0.57 1.31 -0.50 -1.06 2.07 -0.54 -2.65 116.25 115.45 1ukp h VAL 472 Ca 0.14 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 1ukp h VAL 472 Cb 0.05 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1ukp h VAL 472 CO -0.02 0.58 0.15 -0.07 0.02 0.00 0.00 177.57 178.23 1ukp h LEU 473 N 0.48 0.74 0.00 2.57 3.38 -0.58 -2.79 115.31 119.11 1ukp h LEU 473 Ca -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ukp h LEU 473 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ukp h LEU 473 CO 0.12 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.58 1ukp n LEU 474 N -4.49 0.00 0.28 1.67 4.77 0.16 -1.81 117.00 117.58 1ukp n LEU 474 Ca 0.02 0.50 0.18 0.00 -0.03 0.00 0.00 56.01 56.67 1ukp n LEU 474 Cb 0.20 -0.50 0.73 0.00 -2.33 0.00 0.00 43.42 41.52 1ukp n LEU 474 CO 0.39 -0.25 1.01 -0.33 -1.33 0.00 0.00 177.39 176.88 1ukp h GLU 475 N 0.00 0.00 0.00 3.23 5.08 -1.18 -2.16 114.58 119.55 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 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ukp h GLU 475 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1ukp n ALA 476 N -2.09 2.51 1.08 3.43 0.00 -0.75 -2.77 120.51 121.91 1ukp n ALA 476 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.43 1ukp n ALA 476 Cb 0.29 -1.40 0.60 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.95 0.00 -1.74 0.00 -2.24 -0.81 -4.27 114.28 104.27 1ukp n THR 477 Ca 0.19 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 1ukp n THR 477 Cb 0.09 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 1ukp n THR 477 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ukp s LYS 478 N -2.92 4.15 0.32 -0.78 2.20 -1.12 -0.12 119.74 121.48 1ukp s LYS 478 Ca 0.16 2.56 -0.29 0.00 -0.36 0.00 0.00 55.97 58.04 1ukp s LYS 478 Cb 0.19 -3.77 -0.12 0.00 -1.51 0.00 0.00 37.83 32.62 1ukp s LYS 478 CO 0.54 -0.86 1.40 -2.30 -0.36 0.00 0.00 175.35 173.77 1ukp n PRO 479 N 6.26 2.33 -3.88 4.03 -0.02 -1.26 -4.70 135.00 137.75 1ukp n PRO 479 Ca 0.18 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.37 1ukp n PRO 479 Cb 0.39 -2.48 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 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 -0.73 0.03 0.17 3.45 -4.23 -1.26 -5.07 115.64 107.99 1ukp s THR 480 Ca 0.59 -0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.59 1ukp s THR 480 Cb -0.55 -0.14 -0.08 0.00 1.34 0.00 0.00 72.50 73.07 1ukp s THR 480 CO 0.58 -0.11 1.31 -0.13 -0.54 0.00 0.00 174.62 175.72 1ukp s ARG 481 N -0.33 4.39 0.91 3.99 0.52 -1.26 -5.00 118.95 122.16 1ukp s ARG 481 Ca -0.04 2.02 -0.11 0.00 -0.52 0.00 0.00 55.73 57.07 1ukp s ARG 481 Cb -0.03 -3.22 0.14 0.00 0.52 0.00 0.00 34.95 32.36 1ukp s ARG 481 CO 0.00 -0.28 1.09 -1.25 0.02 0.00 0.00 175.30 174.88 1ukp s PRO 482 N 0.25 1.15 0.60 3.54 0.04 -1.26 -4.98 135.00 134.33 1ukp s PRO 482 Ca 0.58 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.41 1ukp s PRO 482 Cb -0.36 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ukp s PRO 482 CO 0.35 -2.36 1.13 -0.06 0.04 0.00 0.00 177.00 176.11 1ukp s PHE 483 N -2.85 2.61 0.38 0.56 0.08 -1.26 -4.97 117.98 112.54 1ukp s PHE 483 Ca 0.64 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.97 1ukp s PHE 483 Cb -0.19 -3.26 -0.09 0.00 -0.57 0.00 0.00 43.02 38.91 1ukp s PHE 483 CO 0.58 -1.70 1.20 -1.25 -0.10 0.00 0.00 175.22 173.96 1ukp s PRO 484 N -3.62 4.13 0.11 0.24 0.04 -1.26 -5.03 135.00 129.62 1ukp s PRO 484 Ca 0.71 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.76 1ukp s PRO 484 Cb -0.23 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1ukp s PRO 484 CO 0.34 -0.28 -0.09 -0.46 0.04 0.00 0.00 177.00 176.54 1ukp s TRP 485 N -1.33 2.74 0.59 0.56 -0.11 -1.26 -4.72 118.94 115.40 1ukp s TRP 485 Ca 0.55 -0.16 -0.15 0.00 1.22 0.00 0.00 56.10 57.56 1ukp s TRP 485 Cb -0.33 -1.42 -0.04 0.00 -1.50 0.00 0.00 33.47 30.18 1ukp s TRP 485 CO 0.43 0.44 1.04 -0.51 -4.62 0.00 0.00 176.95 173.72 1ukp s LEU 486 N -2.31 3.48 0.06 5.86 1.43 -0.70 -4.97 118.68 121.53 1ukp s LEU 486 Ca 0.22 1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 54.94 1ukp s LEU 486 Cb -0.11 -4.52 -0.31 0.00 0.03 0.00 0.00 46.19 41.28 1ukp s LEU 486 CO 0.14 -1.03 1.09 -0.78 0.23 0.00 0.00 176.35 176.01 1ukp h ASP 487 N 0.40 0.60 -4.21 2.29 3.58 -2.00 -3.46 116.42 113.62 1ukp h ASP 487 Ca -0.46 -0.64 -0.24 0.00 0.42 0.00 0.00 57.03 56.11 1ukp h ASP 487 Cb 1.21 -0.19 -0.25 0.00 1.72 0.00 0.00 39.33 41.81 1ukp h ASP 487 CO 0.59 1.49 -0.72 -1.61 -2.88 0.00 0.00 179.24 176.11 1ukp s GLU 488 N -2.66 0.23 0.73 0.28 2.02 -1.26 -5.15 118.70 112.90 1ukp s GLU 488 Ca -0.06 -0.29 -0.13 0.00 0.02 0.00 0.00 54.97 54.51 1ukp s GLU 488 Cb 0.06 -0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.23 1ukp s GLU 488 CO 0.91 0.02 1.12 -0.08 0.02 0.00 0.00 175.26 177.25 1ukp s THR 489 N -0.57 3.05 -2.24 3.63 -1.32 -1.26 -4.93 115.64 112.01 1ukp s THR 489 Ca -0.05 0.43 0.27 0.00 -1.21 0.00 0.00 61.69 61.13 1ukp s THR 489 Cb -0.04 -2.90 0.39 0.00 -1.51 0.00 0.00 72.50 68.43 1ukp s THR 489 CO -0.00 -0.36 1.61 -0.90 -2.21 0.00 0.00 174.62 172.75 1ukp n ASP 490 N -2.97 1.47 -3.05 8.08 5.75 -1.26 -4.35 116.55 120.22 1ukp n ASP 490 Ca 0.10 -1.31 -0.25 0.00 -0.01 0.00 0.00 54.79 53.32 1ukp n ASP 490 Cb 0.52 0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.05 2.62 -2.17 0.11 2.81 -1.26 -5.04 117.12 114.14 1ukp n MET 491 Ca 0.16 -4.49 -0.37 0.00 -1.81 0.00 0.00 57.70 51.19 1ukp n MET 491 Cb 0.38 -2.10 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 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 -3.08 3.58 0.63 0.03 1.02 -1.26 -4.89 119.74 115.77 1ukp s LYS 492 Ca 0.46 1.84 0.40 0.00 0.02 0.00 0.00 55.97 58.69 1ukp s LYS 492 Cb 0.28 -2.33 2.09 0.00 -0.52 0.00 0.00 37.83 37.35 1ukp s LYS 492 CO -0.11 -0.71 2.26 -0.39 -0.92 0.00 0.00 175.35 175.47 1ukp h VAL 493 N 1.70 0.07 0.00 3.17 -1.51 -1.90 -3.37 116.25 114.41 1ukp h VAL 493 Ca -0.50 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1ukp h VAL 493 Cb 1.26 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1ukp h VAL 493 CO 0.59 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 177.41 1ukp n ASP 494 N -3.16 0.00 -0.95 4.19 10.43 -1.26 -4.93 116.55 120.86 1ukp n ASP 494 Ca -0.02 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.46 1ukp n ASP 494 Cb 0.14 0.00 0.10 0.00 1.84 0.00 0.00 41.12 43.20 1ukp n ASP 494 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74