#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukp h MET 7 N 0.00 0.00 0.00 1.20 2.86 -1.90 -1.81 114.93 115.28 1ukp h MET 7 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 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 0.07 -0.21 1.25 1.06 0.00 0.00 176.91 179.09 1ukp h LEU 8 N 0.00 0.00 -0.27 1.22 5.85 -1.88 0.25 115.31 120.48 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 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1ukp h LEU 8 CO 0.01 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 1ukp n LEU 9 N -3.83 0.62 -0.79 2.25 4.77 -0.68 -2.51 117.00 116.83 1ukp n LEU 9 Ca -0.02 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1ukp n LEU 9 Cb 0.30 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1ukp n LEU 9 CO 0.34 -0.31 0.53 0.59 -1.33 0.00 0.00 177.39 177.20 1ukp n ASN 10 N -2.12 2.63 -4.69 -1.43 3.02 0.04 -4.36 115.26 108.35 1ukp n ASN 10 Ca 0.04 -1.82 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 1ukp n ASN 10 Cb 0.33 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.94 2.55 -0.20 3.10 6.14 -0.98 -4.58 117.35 121.44 1ukp s TYR 11 Ca 0.24 0.46 -0.02 0.00 0.64 0.00 0.00 57.07 58.39 1ukp s TYR 11 Cb 0.18 -3.88 0.00 0.00 0.42 0.00 0.00 41.96 38.68 1ukp s TYR 11 CO 0.33 -3.47 -0.10 0.08 0.64 0.00 0.00 175.55 173.03 1ukp s VAL 12 N 2.54 2.91 0.48 3.14 1.01 -0.28 -4.94 120.40 125.26 1ukp s VAL 12 Ca 0.71 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1ukp s VAL 12 Cb -0.38 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 1ukp s VAL 12 CO 0.31 0.46 1.37 -0.81 0.00 0.00 0.00 175.10 176.44 1ukp n PRO 13 N 4.71 1.99 -5.06 2.72 -0.04 -1.26 -4.29 135.00 133.76 1ukp n PRO 13 Ca -0.19 0.71 -0.32 0.00 -0.04 0.00 0.00 63.50 63.66 1ukp n PRO 13 Cb 0.51 -2.57 -0.16 0.00 -0.04 0.00 0.00 33.50 31.24 1ukp n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ukp s VAL 14 N -1.23 2.37 0.20 0.52 1.01 -1.26 -2.23 120.40 119.77 1ukp s VAL 14 Ca 0.65 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.83 1ukp s VAL 14 Cb -0.45 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1ukp s VAL 14 CO 0.55 0.55 -0.23 -0.31 0.00 0.00 0.00 175.10 175.65 1ukp s TYR 15 N 0.36 2.23 -0.09 5.22 2.02 -0.06 -1.21 117.35 125.83 1ukp s TYR 15 Ca -0.16 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 1ukp s TYR 15 Cb -0.17 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1ukp s TYR 15 CO 0.08 0.49 -0.16 0.08 -1.57 0.00 0.00 175.55 174.47 1ukp s VAL 16 N -1.79 1.48 0.18 0.71 1.01 -0.59 -0.41 120.40 120.99 1ukp s VAL 16 Ca 0.21 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1ukp s VAL 16 Cb -0.07 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.89 1ukp s VAL 16 CO 0.10 0.43 1.28 -0.32 0.00 0.00 0.00 175.10 176.59 1ukp s MET 17 N 0.76 4.42 0.73 2.72 1.75 -0.57 -1.82 119.30 127.29 1ukp s MET 17 Ca -0.12 1.99 -0.11 0.00 -1.25 0.00 0.00 55.69 56.21 1ukp s MET 17 Cb -0.16 -3.22 0.03 0.00 2.84 0.00 0.00 34.83 34.32 1ukp s MET 17 CO 0.02 -0.21 1.07 -0.51 -0.65 0.00 0.00 175.02 174.74 1ukp s LEU 18 N -0.04 2.98 0.46 4.11 1.43 -0.54 -0.15 118.68 126.92 1ukp s LEU 18 Ca 0.56 1.54 -0.25 0.00 -1.03 0.00 0.00 54.13 54.95 1ukp s LEU 18 Cb -0.35 -4.34 -0.08 0.00 0.03 0.00 0.00 46.19 41.45 1ukp s LEU 18 CO 0.37 -1.61 1.41 -2.84 0.23 0.00 0.00 176.35 173.91 1ukp s PRO 19 N -5.07 3.66 0.35 1.29 0.02 -1.25 -4.63 135.00 129.37 1ukp s PRO 19 Ca 0.59 2.37 -0.28 0.00 0.02 0.00 0.00 61.00 63.69 1ukp s PRO 19 Cb -0.14 -2.63 -0.11 0.00 0.02 0.00 0.00 34.50 31.65 1ukp s PRO 19 CO 0.55 -0.82 1.38 -0.51 -0.33 0.00 0.00 177.00 177.27 1ukp s LEU 20 N -2.77 4.39 -0.11 -5.54 1.43 -1.26 -2.97 118.68 111.85 1ukp s LEU 20 Ca 0.62 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 56.54 1ukp s LEU 20 Cb -0.43 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1ukp s LEU 20 CO 0.55 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1ukp n GLY 21 N 0.71 0.49 0.42 -3.19 0.00 -1.26 -4.91 105.19 97.45 1ukp n GLY 21 Ca 0.01 -0.55 0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 0.43 -3.56 1.61 3.04 -1.92 -2.85 116.25 113.01 1ukp h VAL 22 Ca -0.02 -0.11 -0.67 0.00 -1.01 0.00 0.00 66.70 64.88 1ukp h VAL 22 Cb 0.11 0.08 -0.28 0.00 -2.01 0.00 0.00 31.29 29.18 1ukp h VAL 22 CO 0.03 0.06 -0.68 -0.69 -1.01 0.00 0.00 177.57 175.28 1ukp s VAL 23 N -5.45 3.50 1.07 1.51 1.01 -1.26 -3.75 120.40 117.03 1ukp s VAL 23 Ca -0.09 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1ukp s VAL 23 Cb 0.26 -2.78 0.23 0.00 0.00 0.00 0.00 36.38 34.09 1ukp s VAL 23 CO 0.80 0.15 1.14 0.54 0.00 0.00 0.00 175.10 177.74 1ukp s ASN 24 N 1.43 2.08 0.54 3.32 2.20 -0.15 -4.83 114.94 119.52 1ukp s ASN 24 Ca 0.02 0.77 0.36 0.00 -0.94 0.00 0.00 52.86 53.07 1ukp s ASN 24 Cb -0.17 -1.15 1.96 0.00 -2.00 0.00 0.00 41.25 39.89 1ukp s ASN 24 CO -0.01 -3.42 2.11 -0.37 -2.94 0.00 0.00 177.10 172.47 1ukp h VAL 25 N -2.10 0.00 -0.23 3.54 -1.51 -1.89 0.13 116.25 114.18 1ukp h VAL 25 Ca -0.48 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1ukp h VAL 25 Cb 1.30 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1ukp h VAL 25 CO 0.46 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.27 1ukp n ASP 26 N -2.78 1.79 -2.94 4.19 8.00 -1.26 -4.89 116.55 118.67 1ukp n ASP 26 Ca -0.02 -1.80 -0.14 0.00 0.71 0.00 0.00 54.79 53.54 1ukp n ASP 26 Cb 0.06 -0.15 0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1ukp n ASP 26 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ukp n ASN 27 N 0.42 -2.07 -4.07 -2.24 2.85 0.44 -5.04 115.26 105.55 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 0.33 -4.19 -0.16 0.00 1.24 0.00 0.00 39.78 37.00 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 1.20 -0.98 3.44 1.01 -1.24 -4.57 120.40 115.97 1ukp s VAL 28 Ca 0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1ukp s VAL 28 Cb -0.00 -1.05 0.09 0.00 0.00 0.00 0.00 36.38 35.42 1ukp s VAL 28 CO 0.58 0.36 1.28 0.12 0.00 0.00 0.00 175.10 177.44 1ukp s PHE 29 N 0.23 2.85 0.05 5.22 5.36 -1.26 -0.98 117.98 129.44 1ukp s PHE 29 Ca -0.06 -1.14 -0.27 0.00 -0.96 0.00 0.00 56.93 54.50 1ukp s PHE 29 Cb -0.12 -4.48 -0.14 0.00 -0.34 0.00 0.00 43.02 37.94 1ukp s PHE 29 CO 0.02 -1.70 1.41 0.93 -1.46 0.00 0.00 175.22 174.42 1ukp h GLU 30 N 9.26 -0.87 -2.82 10.12 5.08 -1.91 -3.39 114.58 130.06 1ukp h GLU 30 Ca 0.18 0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.92 1ukp h GLU 30 Cb 1.02 0.20 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 1ukp h GLU 30 CO 1.26 -0.58 -0.14 -3.47 -1.00 0.00 0.00 179.01 175.07 1ukp n ASP 31 N -4.65 4.37 -0.01 1.42 2.03 -1.26 -4.90 116.55 113.55 1ukp n ASP 31 Ca -0.11 -3.31 -0.10 0.00 0.52 0.00 0.00 54.79 51.79 1ukp n ASP 31 Cb 0.37 -0.93 -0.05 0.00 -0.72 0.00 0.00 41.12 39.80 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 5.17 0.10 -0.77 -0.67 0.11 -1.95 -2.06 132.00 131.93 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 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1ukp h PRO 32 CO 0.93 0.07 0.39 -0.44 -0.21 0.00 0.00 178.00 178.74 1ukp h ASP 33 N 0.11 0.98 -0.43 -2.05 3.32 -1.97 -0.03 116.42 116.34 1ukp h ASP 33 Ca 0.05 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.86 1ukp h ASP 33 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1ukp h ASP 33 CO -0.05 0.81 -0.27 1.23 -1.72 0.00 0.00 179.24 179.24 1ukp h GLY 34 N 1.13 1.03 1.03 2.75 0.00 -1.93 -2.68 103.07 104.40 1ukp h GLY 34 Ca 0.27 -0.97 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 1ukp h GLY 34 CO -0.04 0.88 -0.24 -2.00 0.00 0.00 0.00 176.54 175.14 1ukp h LEU 35 N 0.79 0.86 -0.76 3.11 5.85 -1.11 -2.95 115.31 121.09 1ukp h LEU 35 Ca 0.09 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.43 1ukp h LEU 35 Cb 0.85 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1ukp h LEU 35 CO 0.08 1.10 0.47 0.50 -0.34 0.00 0.00 178.44 180.25 1ukp h LYS 36 N 0.62 0.86 -0.59 1.25 3.64 -0.98 0.25 116.57 121.61 1ukp h LYS 36 Ca 0.08 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ukp h LYS 36 Cb 0.81 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1ukp h LYS 36 CO 0.07 0.57 0.36 1.49 -2.27 0.00 0.00 179.45 179.66 1ukp h GLU 37 N 0.88 0.69 -0.30 1.90 4.22 -1.41 0.31 114.58 120.88 1ukp h GLU 37 Ca 0.32 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.66 1ukp h GLU 37 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ukp h GLU 37 CO -0.14 0.46 -0.04 1.96 -2.18 0.00 0.00 179.01 179.06 1ukp h GLN 38 N 0.71 0.56 -0.83 1.92 4.20 -1.10 -2.96 115.11 117.62 1ukp h GLN 38 Ca 0.24 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1ukp h GLN 38 Cb 0.02 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1ukp h GLN 38 CO -0.10 0.73 0.46 -0.07 -0.67 0.00 0.00 178.83 179.19 1ukp h LEU 39 N 0.34 1.02 -1.44 1.46 3.38 -0.21 -1.91 115.31 117.95 1ukp h LEU 39 Ca 0.08 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ukp h LEU 39 Cb 0.51 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1ukp h LEU 39 CO 0.02 0.81 0.38 -0.07 0.09 0.00 0.00 178.44 179.68 1ukp h LEU 40 N 1.15 0.65 -0.44 1.67 3.38 -0.87 -0.40 115.31 120.46 1ukp h LEU 40 Ca 0.29 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 1ukp h LEU 40 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ukp h LEU 40 CO -0.05 0.47 -0.69 1.56 0.09 0.00 0.00 178.44 179.82 1ukp h GLN 41 N 0.77 0.43 0.15 1.13 4.20 -1.21 -1.82 115.11 118.76 1ukp h GLN 41 Ca 0.21 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1ukp h GLN 41 Cb -0.07 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1ukp h GLN 41 CO -0.05 0.96 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.93 1ukp h LEU 42 N 0.30 -0.17 -1.14 1.46 3.38 -0.59 -0.77 115.31 117.78 1ukp h LEU 42 Ca -0.02 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 57.98 1ukp h LEU 42 Cb 1.25 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 1ukp h LEU 42 CO 0.12 -0.02 0.60 -0.09 0.09 0.00 0.00 178.44 179.14 1ukp h ARG 43 N -0.32 0.85 0.00 1.13 9.65 -1.07 0.28 114.38 124.89 1ukp h ARG 43 Ca -0.02 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 1ukp h ARG 43 Cb 0.25 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1ukp h ARG 43 CO 0.03 0.56 -0.28 0.00 2.80 0.00 0.00 179.97 183.09 1ukp h ALA 44 N 1.56 1.12 -0.00 2.80 0.00 -0.83 -2.01 119.26 121.91 1ukp h ALA 44 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ukp h ALA 44 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ukp h ALA 44 CO -0.23 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 1ukp n ALA 45 N -2.30 2.47 -0.07 0.00 0.00 0.91 -4.91 120.51 116.61 1ukp n ALA 45 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ukp n ALA 45 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1ukp n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukp n GLY 46 N 1.45 0.59 3.67 0.00 0.00 -0.75 -4.80 105.19 105.35 1ukp n GLY 46 Ca 0.09 0.00 -0.44 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 -2.01 1.26 0.12 1.61 0.31 -1.05 -4.69 118.33 113.88 1ukp n VAL 47 Ca 0.00 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 63.81 1ukp n VAL 47 Cb 0.00 -1.48 -0.14 0.00 -0.91 0.00 0.00 33.84 31.31 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 3.69 0.70 -0.92 4.52 5.19 -1.52 -3.43 116.42 124.66 1ukp h ASP 48 Ca -0.45 -0.72 0.01 0.00 -0.62 0.00 0.00 57.03 55.25 1ukp h ASP 48 Cb 1.28 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 1ukp h ASP 48 CO 0.72 1.55 0.05 0.61 -3.12 0.00 0.00 179.24 179.05 1ukp n GLY 49 N 1.55 1.43 3.37 2.75 0.00 -1.18 -2.57 105.19 110.54 1ukp n GLY 49 Ca -0.13 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 1ukp n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ukp s VAL 50 N -2.63 0.78 0.02 1.61 -7.23 -0.24 -1.54 120.40 111.16 1ukp s VAL 50 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1ukp s VAL 50 Cb -0.00 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1ukp s VAL 50 CO 0.01 0.00 -0.15 -0.32 -0.31 0.00 0.00 175.10 174.33 1ukp s MET 51 N -3.97 1.09 -0.02 4.82 1.75 -0.75 -0.39 119.30 121.82 1ukp s MET 51 Ca 0.37 -0.67 -0.07 0.00 -1.25 0.00 0.00 55.69 54.07 1ukp s MET 51 Cb 0.08 -1.09 0.01 0.00 2.84 0.00 0.00 34.83 36.67 1ukp s MET 51 CO 0.14 0.28 0.15 0.54 -0.65 0.00 0.00 175.02 175.49 1ukp s VAL 52 N -0.62 0.05 -0.05 10.11 0.11 -0.26 -1.47 120.40 128.27 1ukp s VAL 52 Ca 0.04 -0.41 -0.27 0.00 -2.93 0.00 0.00 61.98 58.41 1ukp s VAL 52 Cb -0.07 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1ukp s VAL 52 CO 0.01 -0.22 0.88 -1.81 -3.33 0.00 0.00 175.10 170.62 1ukp s ASP 53 N -0.78 7.19 -0.99 3.54 1.01 -1.26 -1.15 116.67 124.23 1ukp s ASP 53 Ca -0.09 1.44 -0.08 0.00 0.71 0.00 0.00 52.55 54.53 1ukp s ASP 53 Cb -0.05 -2.50 0.25 0.00 1.01 0.00 0.00 42.92 41.63 1ukp s ASP 53 CO 0.01 -0.25 0.94 -0.69 0.21 0.00 0.00 175.17 175.40 1ukp s VAL 54 N 1.16 5.49 -0.06 -1.27 1.01 0.80 -4.90 120.40 122.63 1ukp s VAL 54 Ca 0.45 -3.31 -0.33 0.00 0.00 0.00 0.00 61.98 58.80 1ukp s VAL 54 Cb -0.19 -4.34 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 1ukp s VAL 54 CO 0.22 -1.12 1.90 0.79 0.00 0.00 0.00 175.10 176.90 1ukp n TRP 55 N 2.91 2.38 -0.35 5.22 7.02 -1.26 -2.66 117.44 130.70 1ukp n TRP 55 Ca 0.21 -0.10 -0.03 0.00 -1.02 0.00 0.00 57.50 56.56 1ukp n TRP 55 Cb 0.40 -2.70 0.10 0.00 -2.42 0.00 0.00 31.31 26.70 1ukp n TRP 55 CO 0.00 0.00 0.00 2.35 -2.02 0.00 0.00 177.69 178.02 1ukp h TRP 56 N 9.53 1.25 0.00 -5.99 7.01 -1.36 -1.44 115.95 124.96 1ukp h TRP 56 Ca -0.49 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.51 1ukp h TRP 56 Cb 1.26 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 1ukp h TRP 56 CO 0.90 0.82 0.00 0.78 -2.79 0.00 0.00 178.44 178.15 1ukp h GLY 57 N 1.31 0.00 0.00 2.65 0.00 -1.80 -2.54 103.07 102.69 1ukp h GLY 57 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.44 1ukp h GLY 57 CO -0.07 0.00 -1.64 1.39 0.00 0.00 0.00 176.54 176.23 1ukp n ILE 58 N -2.76 1.51 0.17 2.60 5.41 -0.61 -4.33 119.36 121.36 1ukp n ILE 58 Ca -0.02 -0.10 -0.14 0.00 1.00 0.00 0.00 62.75 63.49 1ukp n ILE 58 Cb 0.09 -2.11 -0.07 0.00 -0.71 0.00 0.00 39.64 36.84 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 0.55 -0.96 1.39 1.08 -1.32 -3.20 117.51 114.05 1ukp h ILE 59 Ca -0.35 0.00 -0.62 0.00 -0.39 0.00 0.00 64.86 63.49 1ukp h ILE 59 Cb 1.25 0.55 -0.30 0.00 -3.07 0.00 0.00 36.82 35.25 1ukp h ILE 59 CO -0.21 0.00 0.69 1.21 -0.69 0.00 0.00 178.15 179.15 1ukp n GLU 60 N -5.34 2.63 -0.05 2.37 2.13 -0.97 -2.20 120.64 119.21 1ukp n GLU 60 Ca -0.09 -3.28 -0.13 0.00 0.66 0.00 0.00 57.16 54.32 1ukp n GLU 60 Cb 0.25 -2.25 -0.07 0.00 0.27 0.00 0.00 31.44 29.63 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 1.77 0.38 -0.75 4.31 5.85 -1.74 -3.29 115.31 121.84 1ukp h LEU 61 Ca 0.59 -0.48 0.15 0.00 0.84 0.00 0.00 57.88 58.98 1ukp h LEU 61 Cb 1.32 -0.11 -0.14 0.00 0.37 0.00 0.00 40.66 42.11 1ukp h LEU 61 CO 1.40 0.78 -0.21 0.11 -0.34 0.00 0.00 178.44 180.18 1ukp h LYS 62 N -0.01 -0.02 0.00 1.25 6.56 -1.83 -3.42 116.57 119.10 1ukp h LYS 62 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1ukp h LYS 62 Cb 0.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1ukp h LYS 62 CO 0.04 -0.01 0.00 0.41 -2.06 0.00 0.00 179.45 177.82 1ukp n GLY 63 N -1.49 -0.54 3.62 3.86 0.00 -1.24 -4.97 105.19 104.42 1ukp n GLY 63 Ca 0.10 -1.11 -0.50 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.44 1.49 -1.82 1.61 -0.02 -1.26 -1.40 135.00 133.14 1ukp n PRO 64 Ca 0.00 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 61.86 1ukp n PRO 64 Cb 0.00 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 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 2.78 -1.60 -3.60 -0.52 5.02 -1.26 -4.91 118.16 114.06 1ukp n LYS 65 Ca 0.18 0.87 -0.40 0.00 -2.02 0.00 0.00 58.31 56.94 1ukp n LYS 65 Cb 0.23 -5.29 -0.08 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.98 2.78 -0.20 1.97 -0.21 -0.50 -5.06 119.66 114.47 1ukp s GLN 66 Ca 0.00 -2.38 -0.09 0.00 0.02 0.00 0.00 55.36 52.91 1ukp s GLN 66 Cb 0.00 -3.92 -0.05 0.00 1.00 0.00 0.00 33.01 30.04 1ukp s GLN 66 CO 0.00 -1.20 0.11 0.71 -2.12 0.00 0.00 175.29 172.79 1ukp s TYR 67 N 0.23 3.35 -0.36 0.91 2.02 -1.26 -4.25 117.35 117.99 1ukp s TYR 67 Ca 0.15 0.23 0.01 0.00 -0.37 0.00 0.00 57.07 57.09 1ukp s TYR 67 Cb -0.19 -2.14 0.10 0.00 -0.40 0.00 0.00 41.96 39.34 1ukp s TYR 67 CO -0.04 0.23 0.11 0.34 -1.57 0.00 0.00 175.55 174.61 1ukp s ASP 68 N 0.39 4.97 0.00 2.29 2.15 -0.94 -4.96 116.67 120.58 1ukp s ASP 68 Ca 0.06 -2.01 0.25 0.00 0.43 0.00 0.00 52.55 51.28 1ukp s ASP 68 Cb -0.12 -1.72 0.52 0.00 -0.30 0.00 0.00 42.92 41.31 1ukp s ASP 68 CO -0.01 -0.43 1.42 0.79 -0.17 0.00 0.00 175.17 176.77 1ukp n TRP 69 N 4.43 0.00 -0.05 -5.34 7.02 -1.26 -4.65 117.44 117.59 1ukp n TRP 69 Ca -0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1ukp n TRP 69 Cb 0.42 -0.06 -0.06 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 1.98 -0.42 -0.90 -0.99 3.08 -1.95 0.21 114.38 115.38 1ukp h ARG 70 Ca 0.00 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1ukp h ARG 70 Cb 0.62 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 1ukp h ARG 70 CO 0.00 -0.28 0.58 0.00 -1.07 0.00 0.00 179.97 179.20 1ukp h ALA 71 N 0.21 1.21 -0.10 0.04 0.00 -1.82 -1.56 119.26 117.23 1ukp h ALA 71 Ca 0.10 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1ukp h ALA 71 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ukp h ALA 71 CO -0.47 0.40 -0.52 1.88 0.00 0.00 0.00 179.25 180.54 1ukp h TYR 72 N 1.10 0.34 -0.60 0.00 0.05 -1.79 -1.95 116.97 114.13 1ukp h TYR 72 Ca 0.37 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 1ukp h TYR 72 Cb 0.06 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1ukp h TYR 72 CO -0.02 0.74 0.15 0.00 -1.05 0.00 0.00 178.16 177.99 1ukp h ARG 73 N 0.22 0.92 -0.69 4.88 3.08 -0.26 0.18 114.38 122.72 1ukp h ARG 73 Ca 0.01 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 1ukp h ARG 73 Cb 0.99 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1ukp h ARG 73 CO 0.08 0.81 0.19 0.77 -1.07 0.00 0.00 179.97 180.76 1ukp h SER 74 N 0.88 1.02 0.03 7.04 0.02 -0.96 -0.54 113.55 121.05 1ukp h SER 74 Ca 0.19 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ukp h SER 74 Cb 0.30 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ukp h SER 74 CO -0.00 0.98 -0.01 0.25 -1.14 0.00 0.00 176.83 176.90 1ukp h LEU 75 N 1.02 -0.03 -1.60 5.07 5.85 -0.80 -2.47 115.31 122.34 1ukp h LEU 75 Ca 0.22 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1ukp h LEU 75 Cb 0.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ukp h LEU 75 CO -0.00 0.16 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.18 1ukp h LEU 76 N -0.23 0.21 -0.80 2.25 4.07 -0.84 -1.62 115.31 118.34 1ukp h LEU 76 Ca -0.00 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1ukp h LEU 76 Cb 0.22 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1ukp h LEU 76 CO 0.01 0.27 0.00 -0.61 -1.08 0.00 0.00 178.44 177.03 1ukp h GLN 77 N 0.23 0.91 -0.31 1.13 5.75 -0.89 -1.79 115.11 120.13 1ukp h GLN 77 Ca 0.05 -0.26 -0.16 0.00 -0.15 0.00 0.00 58.65 58.13 1ukp h GLN 77 Cb 0.19 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1ukp h GLN 77 CO 0.01 0.90 -0.45 1.25 -2.65 0.00 0.00 178.83 177.88 1ukp h LEU 78 N 0.84 0.93 -0.75 -2.39 5.85 -0.89 -2.02 115.31 116.88 1ukp h LEU 78 Ca 0.16 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1ukp h LEU 78 Cb 0.49 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1ukp h LEU 78 CO 0.02 1.26 0.48 0.58 -0.34 0.00 0.00 178.44 180.44 1ukp h VAL 79 N 0.63 1.20 -0.53 1.05 2.07 -1.15 -2.20 116.25 117.33 1ukp h VAL 79 Ca 0.03 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1ukp h VAL 79 Cb 1.05 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ukp h VAL 79 CO 0.10 0.20 0.17 -0.61 0.02 0.00 0.00 177.57 177.45 1ukp h GLN 80 N 1.02 0.82 0.00 1.57 4.15 -1.22 -2.54 115.11 118.91 1ukp h GLN 80 Ca 0.27 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1ukp h GLN 80 Cb -0.08 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 1ukp h GLN 80 CO -0.06 0.75 -0.10 0.93 -1.93 0.00 0.00 178.83 178.43 1ukp h GLU 81 N 0.72 0.00 -0.00 1.69 5.08 -0.96 -0.30 114.58 120.81 1ukp h GLU 81 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ukp h GLU 81 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ukp h GLU 81 CO -0.01 0.10 -0.18 0.00 -1.00 0.00 0.00 179.01 177.92 1ukp n GLY 83 N 1.41 0.52 3.30 0.00 0.00 -0.12 -4.93 105.19 105.37 1ukp n GLY 83 Ca 0.10 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.78 2.23 0.62 0.99 1.43 -1.04 -4.97 118.68 115.16 1ukp s LEU 84 Ca 0.16 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1ukp s LEU 84 Cb -0.07 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.14 1ukp s LEU 84 CO 0.20 0.15 0.90 0.42 0.23 0.00 0.00 176.35 178.25 1ukp s THR 85 N -0.95 2.80 -0.03 5.49 -4.23 -1.06 -4.33 115.64 113.33 1ukp s THR 85 Ca 0.09 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.28 1ukp s THR 85 Cb -0.10 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.62 1ukp s THR 85 CO 0.03 -0.12 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.69 1ukp s LEU 86 N -5.00 1.74 -0.32 4.79 1.98 0.22 -1.07 118.68 121.02 1ukp s LEU 86 Ca 0.57 -0.18 -0.09 0.00 -2.89 0.00 0.00 54.13 51.54 1ukp s LEU 86 Cb -0.11 -0.54 0.00 0.00 0.66 0.00 0.00 46.19 46.21 1ukp s LEU 86 CO 0.42 0.05 0.14 -1.10 -1.89 0.00 0.00 176.35 173.98 1ukp s GLN 87 N 0.28 3.17 -0.23 1.98 -0.21 0.48 -1.97 119.66 123.15 1ukp s GLN 87 Ca -0.04 -0.83 -0.09 0.00 0.02 0.00 0.00 55.36 54.41 1ukp s GLN 87 Cb -0.09 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.32 1ukp s GLN 87 CO 0.01 -0.48 0.12 0.00 -2.12 0.00 0.00 175.29 172.82 1ukp s ALA 88 N 1.57 3.49 -0.21 6.09 0.00 -1.04 -1.10 121.76 130.55 1ukp s ALA 88 Ca 0.03 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 1ukp s ALA 88 Cb -0.18 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1ukp s ALA 88 CO 0.05 -0.15 0.27 0.42 0.00 0.00 0.00 175.76 176.35 1ukp s ILE 89 N 0.99 5.29 -0.98 0.00 1.01 -0.30 -1.13 121.20 126.07 1ukp s ILE 89 Ca 0.06 0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 1ukp s ILE 89 Cb -0.14 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.81 1ukp s ILE 89 CO 0.04 0.32 1.31 -0.04 0.00 0.00 0.00 174.94 176.56 1ukp s MET 90 N 1.04 3.59 -0.95 2.79 -1.94 0.30 -0.14 119.30 124.00 1ukp s MET 90 Ca 0.13 -1.40 -0.21 0.00 -1.71 0.00 0.00 55.69 52.51 1ukp s MET 90 Cb -0.14 -5.17 0.09 0.00 2.01 0.00 0.00 34.83 31.63 1ukp s MET 90 CO 0.05 -2.02 1.26 -1.12 -0.01 0.00 0.00 175.02 173.18 1ukp s SER 91 N 4.40 6.54 -0.26 3.03 0.01 -1.09 -1.33 113.70 125.01 1ukp s SER 91 Ca 0.40 -1.71 0.02 0.00 1.31 0.00 0.00 55.95 55.98 1ukp s SER 91 Cb -0.02 -2.48 0.37 0.00 0.21 0.00 0.00 66.02 64.10 1ukp s SER 91 CO -0.10 -1.29 1.54 0.49 0.41 0.00 0.00 173.24 174.30 1ukp n PHE 92 N 7.65 1.72 -4.37 2.43 3.72 -1.26 -0.98 117.46 126.37 1ukp n PHE 92 Ca 0.26 -1.30 -0.19 0.00 -0.05 0.00 0.00 57.45 56.17 1ukp n PHE 92 Cb 0.50 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.27 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 -1.86 1.68 0.29 1.38 -3.43 -1.26 -4.73 115.29 107.36 1ukp s HIS 93 Ca 0.32 -1.14 -0.28 0.00 -0.80 0.00 0.00 55.06 53.16 1ukp s HIS 93 Cb 0.27 -1.02 -0.09 0.00 -1.43 0.00 0.00 32.58 30.30 1ukp s HIS 93 CO 0.06 -0.25 0.95 -1.14 -2.00 0.00 0.00 174.74 172.35 1ukp s GLN 94 N -3.96 4.70 -0.11 -0.38 0.74 -0.25 -4.69 119.66 115.72 1ukp s GLN 94 Ca 0.36 1.42 -0.13 0.00 0.05 0.00 0.00 55.36 57.07 1ukp s GLN 94 Cb 0.08 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.11 1ukp s GLN 94 CO 0.15 0.38 0.30 0.00 -0.55 0.00 0.00 175.29 175.57 1ukp n GLY 96 N 2.76 0.99 0.00 0.00 0.00 -1.24 -1.50 105.19 106.21 1ukp n GLY 96 Ca -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.69 3.95 -0.02 0.00 -1.26 -4.90 105.19 104.65 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 -1.92 6.33 0.14 1.61 0.01 -1.26 -4.93 114.94 114.91 1ukp s ASN 98 Ca 0.00 0.16 -0.31 0.00 -0.71 0.00 0.00 52.86 51.99 1ukp s ASN 98 Cb 0.00 -1.90 -0.10 0.00 0.41 0.00 0.00 41.25 39.66 1ukp s ASN 98 CO 0.00 -0.01 1.64 0.54 -1.51 0.00 0.00 177.10 177.75 1ukp s VAL 99 N -1.86 2.66 0.00 1.60 0.11 -1.26 -1.59 120.40 120.06 1ukp s VAL 99 Ca 0.35 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1ukp s VAL 99 Cb -0.10 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1ukp s VAL 99 CO 0.29 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 1ukp n GLY 100 N 3.90 2.75 3.70 6.54 0.00 -1.26 -5.06 105.19 115.76 1ukp n GLY 100 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 7.12 -0.11 1.61 -0.00 -0.62 -4.94 116.67 118.39 1ukp s ASP 101 Ca 0.00 1.88 -0.28 0.00 -0.00 0.00 0.00 52.55 54.15 1ukp s ASP 101 Cb 0.00 -2.57 -0.25 0.00 -0.00 0.00 0.00 42.92 40.10 1ukp s ASP 101 CO 0.00 -0.47 0.87 0.40 -0.00 0.00 0.00 175.17 175.97 1ukp h ILE 102 N 4.73 1.71 -3.59 0.77 2.04 -1.97 -3.44 117.51 117.75 1ukp h ILE 102 Ca -0.39 -2.17 -0.68 0.00 1.00 0.00 0.00 64.86 62.62 1ukp h ILE 102 Cb 1.20 3.17 -0.18 0.00 -0.74 0.00 0.00 36.82 40.27 1ukp h ILE 102 CO 0.82 0.57 -0.21 -0.69 0.00 0.00 0.00 178.15 178.65 1ukp s VAL 103 N -2.58 5.10 -0.22 1.67 1.01 -1.26 -5.04 120.40 119.08 1ukp s VAL 103 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1ukp s VAL 103 Cb -0.02 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1ukp s VAL 103 CO 0.70 -0.28 -0.13 0.20 0.00 0.00 0.00 175.10 175.59 1ukp s ASN 104 N 1.78 3.81 -0.36 3.32 0.01 -1.26 -3.60 114.94 118.64 1ukp s ASN 104 Ca 0.13 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.45 1ukp s ASN 104 Cb -0.17 -1.56 0.11 0.00 0.41 0.00 0.00 41.25 40.04 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 1.36 0.77 0.60 1.01 -0.56 -4.95 121.20 120.70 1ukp s ILE 105 Ca 0.01 -1.96 -0.11 0.00 0.00 0.00 0.00 60.65 58.59 1ukp s ILE 105 Cb -0.16 -2.00 0.05 0.00 0.01 0.00 0.00 42.46 40.37 1ukp s ILE 105 CO -0.08 -0.72 1.08 -2.16 0.00 0.00 0.00 174.94 173.06 1ukp s PRO 106 N 1.08 2.35 1.09 2.79 0.04 -1.26 -0.48 135.00 140.60 1ukp s PRO 106 Ca 0.12 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1ukp s PRO 106 Cb -0.20 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.65 1ukp s PRO 106 CO -0.14 -1.48 1.06 0.96 0.04 0.00 0.00 177.00 177.44 1ukp s ILE 107 N -3.08 2.09 0.18 0.56 -4.36 -1.26 -4.21 121.20 111.12 1ukp s ILE 107 Ca 0.60 0.03 -0.31 0.00 -0.26 0.00 0.00 60.65 60.71 1ukp s ILE 107 Cb -0.15 -2.23 -0.17 0.00 1.25 0.00 0.00 42.46 41.17 1ukp s ILE 107 CO 0.55 -0.04 0.86 -2.65 0.24 0.00 0.00 174.94 173.91 1ukp n PRO 108 N -4.61 0.54 -0.22 0.37 -0.02 -1.26 -4.82 135.00 124.98 1ukp n PRO 108 Ca 0.04 0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1ukp n PRO 108 Cb 0.55 -1.47 0.19 0.00 -0.02 0.00 0.00 33.50 32.75 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 2.12 1.02 0.00 -0.52 5.75 -1.89 -1.64 115.11 119.95 1ukp h GLN 109 Ca -0.38 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1ukp h GLN 109 Cb 1.40 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 1ukp h GLN 109 CO 0.62 0.75 -0.04 0.11 -2.65 0.00 0.00 178.83 177.62 1ukp h TRP 110 N 1.03 0.00 0.11 3.99 5.08 -1.90 0.11 115.95 124.37 1ukp h TRP 110 Ca 0.26 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 60.01 1ukp h TRP 110 Cb 0.03 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.21 1ukp h TRP 110 CO 0.01 0.04 -0.92 0.28 -1.28 0.00 0.00 178.44 176.56 1ukp h VAL 111 N 0.00 1.41 -0.33 0.12 2.07 -1.66 -3.12 116.25 114.74 1ukp h VAL 111 Ca -0.00 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.10 1ukp h VAL 111 Cb 0.12 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1ukp h VAL 111 CO 0.00 0.70 0.14 -0.07 0.02 0.00 0.00 177.57 178.36 1ukp h LEU 112 N -0.09 0.41 -0.52 2.57 3.38 -0.82 -0.96 115.31 119.29 1ukp h LEU 112 Ca -0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1ukp h LEU 112 Cb 1.67 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1ukp h LEU 112 CO 0.18 0.37 0.24 0.44 0.09 0.00 0.00 178.44 179.76 1ukp h ASP 113 N 0.46 0.69 -0.79 -0.43 3.32 -0.86 -1.18 116.42 117.63 1ukp h ASP 113 Ca 0.12 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ukp h ASP 113 Cb 0.09 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1ukp h ASP 113 CO -0.01 0.63 0.41 0.40 -1.72 0.00 0.00 179.24 178.95 1ukp h ILE 114 N 0.69 1.24 0.00 0.35 2.04 -1.29 -1.58 117.51 118.97 1ukp h ILE 114 Ca 0.18 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1ukp h ILE 114 Cb 0.13 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1ukp h ILE 114 CO -0.02 0.28 -0.07 1.23 0.00 0.00 0.00 178.15 179.58 1ukp h GLY 115 N 1.16 0.00 1.50 5.37 0.00 -0.19 -0.15 103.07 110.76 1ukp h GLY 115 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1ukp h GLY 115 CO -0.04 0.00 -0.09 0.83 0.00 0.00 0.00 176.54 177.24 1ukp h GLU 116 N 0.00 0.61 -0.01 4.80 4.39 -0.20 -2.69 114.58 121.47 1ukp h GLU 116 Ca -0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1ukp h GLU 116 Cb 0.14 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1ukp h GLU 116 CO 0.01 0.70 -0.46 0.43 -1.16 0.00 0.00 179.01 178.52 1ukp n SER 117 N -4.20 1.65 -3.32 1.42 7.64 -0.75 -4.65 113.62 111.40 1ukp n SER 117 Ca 0.01 -1.28 -0.17 0.00 1.01 0.00 0.00 58.87 58.44 1ukp n SER 117 Cb 0.32 0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 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 -2.54 0.99 0.31 6.43 3.04 -0.14 -5.00 114.94 118.03 1ukp s ASN 118 Ca 0.19 -1.74 0.25 0.00 0.04 0.00 0.00 52.86 51.59 1ukp s ASN 118 Cb 0.18 0.57 1.09 0.00 -1.54 0.00 0.00 41.25 41.55 1ukp s ASN 118 CO 0.59 -0.23 1.75 0.45 -3.04 0.00 0.00 177.10 176.61 1ukp h HIS 119 N 6.77 0.00 -0.03 0.43 3.86 -1.76 -3.10 115.15 121.32 1ukp h HIS 119 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1ukp h HIS 119 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1ukp h HIS 119 CO 0.30 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.84 1ukp n ASP 120 N -2.36 0.16 0.03 2.45 8.00 -1.26 -3.01 116.55 120.56 1ukp n ASP 120 Ca 0.01 -1.77 0.13 0.00 0.71 0.00 0.00 54.79 53.87 1ukp n ASP 120 Cb 0.20 -0.02 0.46 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.52 0.14 -4.01 0.53 -5.35 -1.17 -4.69 119.36 104.30 1ukp n ILE 121 Ca 0.06 -0.08 -0.26 0.00 -0.27 0.00 0.00 62.75 62.21 1ukp n ILE 121 Cb 0.05 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 37.59 1ukp n ILE 121 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ukp s PHE 122 N -3.03 3.33 0.32 4.28 0.08 -1.16 -1.26 117.98 120.53 1ukp s PHE 122 Ca 0.12 0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.93 1ukp s PHE 122 Cb 0.17 -1.59 -0.10 0.00 -0.57 0.00 0.00 43.02 40.93 1ukp s PHE 122 CO 0.60 0.51 1.41 0.71 -0.10 0.00 0.00 175.22 178.35 1ukp s TYR 123 N -1.77 2.91 -0.01 0.36 2.02 -1.24 -4.65 117.35 114.96 1ukp s TYR 123 Ca 0.33 1.21 0.04 0.00 -0.37 0.00 0.00 57.07 58.27 1ukp s TYR 123 Cb -0.10 -3.83 -0.01 0.00 -0.40 0.00 0.00 41.96 37.62 1ukp s TYR 123 CO 0.26 -2.48 -0.12 0.99 -1.57 0.00 0.00 175.55 172.64 1ukp s THR 124 N -0.74 0.95 0.56 -0.71 2.01 -1.26 -1.38 115.64 115.06 1ukp s THR 124 Ca 0.54 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1ukp s THR 124 Cb -0.43 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.33 1ukp s THR 124 CO 0.52 0.27 0.78 0.54 -0.69 0.00 0.00 174.62 176.05 1ukp s ASN 125 N -0.22 5.23 0.38 3.53 4.22 -1.06 -1.90 114.94 125.12 1ukp s ASN 125 Ca 0.04 -0.06 0.09 0.00 -2.14 0.00 0.00 52.86 50.79 1ukp s ASN 125 Cb -0.05 -0.80 0.84 0.00 1.28 0.00 0.00 41.25 42.52 1ukp s ASN 125 CO -0.00 -1.18 1.93 -0.09 -2.04 0.00 0.00 177.10 175.71 1ukp h ARG 126 N 0.05 0.63 0.00 3.55 2.43 -1.93 -0.48 114.38 118.64 1ukp h ARG 126 Ca -0.42 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ukp h ARG 126 Cb 1.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1ukp h ARG 126 CO 0.51 0.42 0.00 0.43 -1.51 0.00 0.00 179.97 179.82 1ukp n SER 127 N -4.50 0.00 0.00 -3.80 7.64 -1.26 -4.88 113.62 106.82 1ukp n SER 127 Ca 0.13 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ukp n SER 127 Cb 0.37 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.41 0.77 3.72 0.23 0.00 -0.19 -5.05 105.19 105.09 1ukp n GLY 128 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.21 4.45 -0.17 2.61 2.01 -1.26 -4.84 115.64 116.22 1ukp s THR 129 Ca 0.00 1.88 -0.12 0.00 0.31 0.00 0.00 61.69 63.76 1ukp s THR 129 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1ukp s THR 129 CO 0.00 0.21 0.21 -0.13 -0.69 0.00 0.00 174.62 174.22 1ukp s ARG 130 N 0.51 4.17 -0.36 4.92 1.81 -1.26 -2.56 118.95 126.19 1ukp s ARG 130 Ca 0.51 -0.06 -0.15 0.00 -1.72 0.00 0.00 55.73 54.32 1ukp s ARG 130 Cb -0.25 -3.41 -0.01 0.00 -0.45 0.00 0.00 34.95 30.84 1ukp s ARG 130 CO 0.30 0.31 0.34 1.21 -0.68 0.00 0.00 175.30 176.77 1ukp s ASN 131 N 0.31 6.15 -0.08 0.23 3.84 -0.48 -4.96 114.94 119.94 1ukp s ASN 131 Ca 0.13 -0.41 0.09 0.00 0.21 0.00 0.00 52.86 52.87 1ukp s ASN 131 Cb -0.12 -2.18 0.40 0.00 -0.55 0.00 0.00 41.25 38.79 1ukp s ASN 131 CO 0.01 -0.36 1.20 0.29 -2.79 0.00 0.00 177.10 175.45 1ukp n LYS 132 N 5.33 2.64 0.10 0.43 5.02 -1.26 -3.69 118.16 126.72 1ukp n LYS 132 Ca -0.10 -1.55 0.12 0.00 -2.02 0.00 0.00 58.31 54.77 1ukp n LYS 132 Cb 0.49 -1.69 0.26 0.00 -0.02 0.00 0.00 35.03 34.07 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 2.14 0.00 -2.47 1.97 4.11 -1.96 -3.44 114.58 114.92 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 1.01 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 0.28 -0.47 0.07 0.00 0.00 179.01 179.06 1ukp s TYR 134 N -3.15 -0.53 -0.07 2.06 5.04 -1.26 -1.09 117.35 118.35 1ukp s TYR 134 Ca 0.08 0.56 -0.26 0.00 -2.44 0.00 0.00 57.07 55.01 1ukp s TYR 134 Cb 0.12 0.50 -0.03 0.00 0.35 0.00 0.00 41.96 42.90 1ukp s TYR 134 CO 0.67 -0.69 0.82 -0.51 -1.34 0.00 0.00 175.55 174.50 1ukp s LEU 135 N -2.12 4.30 0.52 6.97 1.43 -1.26 -4.19 118.68 124.33 1ukp s LEU 135 Ca -0.02 1.34 -0.21 0.00 -1.03 0.00 0.00 54.13 54.21 1ukp s LEU 135 Cb -0.01 -3.27 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1ukp s LEU 135 CO -0.05 -0.22 0.97 1.07 0.23 0.00 0.00 176.35 178.36 1ukp n THR 136 N 4.02 3.02 0.29 5.49 5.66 -0.39 -4.82 114.28 127.54 1ukp n THR 136 Ca 0.02 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.69 1ukp n THR 136 Cb 0.51 -1.15 0.83 0.00 -1.55 0.00 0.00 70.33 68.96 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 1.00 0.00 0.00 1.08 3.04 -1.95 -2.19 116.25 117.23 1ukp h VAL 137 Ca -0.47 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1ukp h VAL 137 Cb 1.35 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1ukp h VAL 137 CO 0.54 0.00 -0.02 1.23 -1.01 0.00 0.00 177.57 178.31 1ukp h GLY 138 N 0.74 0.00 -1.68 3.17 0.00 -1.94 -2.27 103.07 101.08 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 -3.25 2.32 -0.24 4.60 0.24 -0.82 -4.66 118.33 116.52 1ukp n VAL 139 Ca -0.02 -1.92 -0.00 0.00 -2.04 0.00 0.00 64.34 60.36 1ukp n VAL 139 Cb 0.14 -0.26 0.11 0.00 -1.47 0.00 0.00 33.84 32.36 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 1.81 0.56 -0.25 -1.34 3.32 -1.54 -2.87 116.42 116.10 1ukp h ASP 140 Ca 0.02 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1ukp h ASP 140 Cb 1.48 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.89 1ukp h ASP 140 CO 0.24 0.35 -0.14 0.59 -1.72 0.00 0.00 179.24 178.56 1ukp n ASN 141 N -4.79 2.48 -4.53 6.45 4.13 -1.26 -1.65 115.26 116.09 1ukp n ASN 141 Ca 0.10 -3.67 -0.38 0.00 1.68 0.00 0.00 54.58 52.30 1ukp n ASN 141 Cb 0.20 -0.59 -0.11 0.00 -1.54 0.00 0.00 39.78 37.74 1ukp n ASN 141 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ukp s GLU 142 N -3.18 3.70 -1.46 3.52 0.41 -1.09 -4.95 118.70 115.64 1ukp s GLU 142 Ca 0.42 -0.49 -0.09 0.00 -0.41 0.00 0.00 54.97 54.40 1ukp s GLU 142 Cb 0.38 -3.63 -0.09 0.00 -1.78 0.00 0.00 34.13 29.02 1ukp s GLU 142 CO -0.00 -0.28 2.83 -0.35 -0.49 0.00 0.00 175.26 176.96 1ukp n PRO 143 N 5.04 3.38 -0.18 0.39 -0.04 -1.26 -3.91 135.00 138.41 1ukp n PRO 143 Ca -0.14 -2.04 0.07 0.00 -0.04 0.00 0.00 63.50 61.35 1ukp n PRO 143 Cb 0.51 -2.72 0.16 0.00 -0.04 0.00 0.00 33.50 31.42 1ukp n PRO 143 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ukp n ILE 144 N 3.66 0.82 -3.61 0.52 -5.35 -1.15 -4.18 119.36 110.08 1ukp n ILE 144 Ca 0.72 -0.91 -0.37 0.00 -0.27 0.00 0.00 62.75 61.92 1ukp n ILE 144 Cb 0.23 0.64 -0.06 0.00 -1.74 0.00 0.00 39.64 38.71 1ukp n ILE 144 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ukp s PHE 145 N -1.02 3.92 -1.49 4.28 0.08 -0.31 -4.70 117.98 118.74 1ukp s PHE 145 Ca 0.26 -2.98 -0.04 0.00 0.12 0.00 0.00 56.93 54.29 1ukp s PHE 145 Cb 0.14 -3.30 0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1ukp s PHE 145 CO 0.19 -0.76 0.43 0.72 -0.10 0.00 0.00 175.22 175.70 1ukp n HIS 146 N 2.41 -1.61 0.00 0.36 8.25 -1.26 -0.97 115.22 122.40 1ukp n HIS 146 Ca 0.21 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 1ukp n HIS 146 Cb 0.37 -3.44 0.00 0.00 1.12 0.00 0.00 29.99 28.05 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 -1.95 3.05 3.93 -1.41 0.00 -1.26 -5.05 105.19 102.49 1ukp n GLY 147 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.22 3.52 0.62 1.61 0.52 -0.15 -4.72 118.95 120.12 1ukp s ARG 148 Ca 0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1ukp s ARG 148 Cb 0.00 -2.82 0.04 0.00 0.52 0.00 0.00 34.95 32.69 1ukp s ARG 148 CO 0.00 0.38 0.88 0.95 0.02 0.00 0.00 175.30 177.53 1ukp s THR 149 N -1.90 2.55 0.20 0.02 -4.23 -1.25 -1.16 115.64 109.86 1ukp s THR 149 Ca 0.39 -0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 60.34 1ukp s THR 149 Cb -0.11 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 70.81 1ukp s THR 149 CO 0.29 -0.02 1.69 0.00 -0.54 0.00 0.00 174.62 176.05 1ukp h ALA 150 N -0.22 0.91 -0.34 3.99 0.00 -1.41 -2.16 119.26 120.04 1ukp h ALA 150 Ca -0.43 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 1ukp h ALA 150 Cb 1.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1ukp h ALA 150 CO 0.56 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 181.23 1ukp h ILE 151 N 1.02 1.22 -0.38 0.00 2.04 -1.57 -1.60 117.51 118.24 1ukp h ILE 151 Ca 0.20 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 1ukp h ILE 151 Cb 0.46 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1ukp h ILE 151 CO 0.02 0.32 -0.14 -0.33 0.00 0.00 0.00 178.15 178.01 1ukp h GLU 152 N 0.52 0.69 0.22 2.37 5.08 -1.72 -0.53 114.58 121.21 1ukp h GLU 152 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1ukp h GLU 152 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ukp h GLU 152 CO 0.02 0.81 -0.10 0.82 -1.00 0.00 0.00 179.01 179.55 1ukp h ILE 153 N 0.62 0.79 -0.66 3.13 2.04 -0.72 0.47 117.51 123.19 1ukp h ILE 153 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1ukp h ILE 153 Cb 0.60 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1ukp h ILE 153 CO 0.04 0.00 0.36 1.88 0.00 0.00 0.00 178.15 180.43 1ukp h TYR 154 N -0.29 0.88 -0.21 1.37 0.05 -1.09 -1.62 116.97 116.06 1ukp h TYR 154 Ca -0.03 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1ukp h TYR 154 Cb 0.22 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1ukp h TYR 154 CO -0.06 0.62 -0.04 1.03 -1.05 0.00 0.00 178.16 178.65 1ukp h SER 155 N 0.91 0.41 -0.59 3.88 0.87 -0.78 -2.07 113.55 116.17 1ukp h SER 155 Ca 0.23 -0.35 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1ukp h SER 155 Cb 0.02 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1ukp h SER 155 CO -0.04 0.66 0.16 0.44 -0.53 0.00 0.00 176.83 177.52 1ukp h ASP 156 N 0.14 0.91 0.47 6.23 3.32 -0.68 -1.76 116.42 125.06 1ukp h ASP 156 Ca 0.06 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1ukp h ASP 156 Cb 0.48 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ukp h ASP 156 CO 0.02 0.88 -0.25 0.22 -1.72 0.00 0.00 179.24 178.39 1ukp h TYR 157 N 0.93 -0.65 -0.32 4.55 3.20 -1.22 -0.53 116.97 122.93 1ukp h TYR 157 Ca 0.20 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1ukp h TYR 157 Cb 0.32 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1ukp h TYR 157 CO 0.02 -0.39 0.16 0.52 -1.64 0.00 0.00 178.16 176.83 1ukp h MET 158 N -0.66 0.44 -0.26 1.82 2.86 -1.27 -0.89 114.93 116.97 1ukp h MET 158 Ca -0.06 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1ukp h MET 158 Cb 0.53 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1ukp h MET 158 CO 0.08 0.34 -0.32 0.87 1.06 0.00 0.00 176.91 178.94 1ukp h LYS 159 N 0.45 0.67 -0.76 1.72 1.57 -1.03 -1.47 116.57 117.72 1ukp h LYS 159 Ca 0.12 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1ukp h LYS 159 Cb 0.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1ukp h LYS 159 CO -0.02 0.99 0.30 1.03 -0.57 0.00 0.00 179.45 181.18 1ukp h SER 160 N 0.39 1.05 -0.31 0.86 0.87 -0.67 -1.48 113.55 114.26 1ukp h SER 160 Ca 0.03 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1ukp h SER 160 Cb 0.90 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1ukp h SER 160 CO 0.08 0.93 0.20 0.15 -0.53 0.00 0.00 176.83 177.66 1ukp h PHE 161 N 1.11 0.39 -0.87 2.24 3.57 -1.06 0.86 116.94 123.17 1ukp h PHE 161 Ca 0.25 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1ukp h PHE 161 Cb 0.21 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1ukp h PHE 161 CO 0.02 0.25 0.44 -0.09 -2.23 0.00 0.00 178.31 176.70 1ukp h ARG 162 N 0.41 1.24 -0.20 1.11 1.12 -0.89 0.94 114.38 118.11 1ukp h ARG 162 Ca 0.11 -0.17 -0.10 0.00 -1.11 0.00 0.00 59.98 58.71 1ukp h ARG 162 Cb -0.04 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 29.69 1ukp h ARG 162 CO -0.02 0.93 -0.27 0.93 -3.11 0.00 0.00 179.97 178.43 1ukp h GLU 163 N 1.23 0.53 0.00 0.20 5.08 -1.03 -2.18 114.58 118.42 1ukp h GLU 163 Ca 0.30 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ukp h GLU 163 Cb 0.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ukp h GLU 163 CO -0.04 0.90 0.00 -0.91 -1.00 0.00 0.00 179.01 177.96 1ukp h ASN 164 N 0.20 0.00 -0.21 1.42 2.35 -0.65 -3.09 115.58 115.59 1ukp h ASN 164 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ukp h ASN 164 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1ukp h ASN 164 CO 0.06 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.07 1ukp n MET 165 N -2.85 2.61 -0.35 0.81 2.81 0.31 -4.76 117.12 115.70 1ukp n MET 165 Ca 0.03 -2.75 0.16 0.00 -1.81 0.00 0.00 57.70 53.33 1ukp n MET 165 Cb 0.43 -1.75 0.36 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.45 0.72 -0.04 7.83 4.64 -1.30 -0.75 113.55 126.09 1ukp h SER 166 Ca 0.00 0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 1ukp h SER 166 Cb 1.32 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1ukp h SER 166 CO 0.17 0.19 -0.49 -2.24 -0.87 0.00 0.00 176.83 173.59 1ukp h ASP 167 N 0.66 0.65 0.37 4.97 2.03 -1.87 -0.94 116.42 122.29 1ukp h ASP 167 Ca 0.61 -0.32 -0.14 0.00 -0.73 0.00 0.00 57.03 56.45 1ukp h ASP 167 Cb 1.08 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.39 1ukp h ASP 167 CO -0.42 1.03 -0.57 -0.26 -1.03 0.00 0.00 179.24 177.98 1ukp h PHE 168 N 0.47 0.27 -0.01 4.15 0.04 -1.55 -0.49 116.94 119.82 1ukp h PHE 168 Ca 0.02 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.52 1ukp h PHE 168 Cb 1.02 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 1ukp h PHE 168 CO 0.04 0.74 -0.77 -0.07 -0.60 0.00 0.00 178.31 177.65 1ukp h LEU 169 N 0.16 0.15 0.04 1.54 3.38 -1.20 -1.32 115.31 118.07 1ukp h LEU 169 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ukp h LEU 169 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ukp h LEU 169 CO 0.09 0.86 -0.02 -0.08 0.09 0.00 0.00 178.44 179.38 1ukp h GLU 170 N 0.07 -0.05 0.00 1.13 4.22 -0.85 -3.00 114.58 116.11 1ukp h GLU 170 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1ukp h GLU 170 Cb 1.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ukp h GLU 170 CO 0.11 0.31 0.00 -1.13 -2.18 0.00 0.00 179.01 176.13 1ukp n SER 171 N -4.94 0.00 0.00 1.04 3.41 -0.22 -4.85 113.62 108.06 1ukp n SER 171 Ca -0.08 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1ukp n SER 171 Cb 0.20 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.49 0.42 0.24 5.00 0.00 -1.11 -4.95 105.19 104.30 1ukp n GLY 172 Ca 0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 0.82 -9.06 0.99 5.85 -1.50 -3.42 115.31 108.99 1ukp h LEU 173 Ca 0.00 -0.38 -0.60 0.00 0.84 0.00 0.00 57.88 57.73 1ukp h LEU 173 Cb 0.00 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 40.69 1ukp h LEU 173 CO 0.00 1.02 0.01 -0.63 -0.34 0.00 0.00 178.44 178.49 1ukp s ILE 174 N -4.71 5.07 -0.73 4.05 1.01 -1.24 -0.61 121.20 124.05 1ukp s ILE 174 Ca -0.12 0.98 0.19 0.00 0.00 0.00 0.00 60.65 61.70 1ukp s ILE 174 Cb 0.10 -3.86 -0.23 0.00 0.01 0.00 0.00 42.46 38.48 1ukp s ILE 174 CO 0.83 0.13 0.74 2.30 0.00 0.00 0.00 174.94 178.94 1ukp n ILE 175 N 4.81 0.00 -3.57 2.92 -5.35 -0.83 -4.64 119.36 112.69 1ukp n ILE 175 Ca -0.04 -0.13 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1ukp n ILE 175 Cb 0.50 0.81 -0.05 0.00 -1.74 0.00 0.00 39.64 39.16 1ukp n ILE 175 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1ukp s ASP 176 N -3.13 -0.35 -0.24 7.28 1.47 -1.26 -1.85 116.67 118.59 1ukp s ASP 176 Ca 0.04 0.33 -0.02 0.00 1.18 0.00 0.00 52.55 54.08 1ukp s ASP 176 Cb 0.14 0.30 0.02 0.00 -0.34 0.00 0.00 42.92 43.04 1ukp s ASP 176 CO 0.80 -0.36 -0.06 -0.63 0.68 0.00 0.00 175.17 175.60 1ukp s ILE 177 N -1.39 2.96 -0.30 2.11 -1.09 0.70 -2.51 121.20 121.68 1ukp s ILE 177 Ca -0.00 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.34 1ukp s ILE 177 Cb -0.01 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.38 1ukp s ILE 177 CO -0.00 0.25 0.41 -0.70 -1.23 0.00 0.00 174.94 173.67 1ukp s GLU 178 N 1.36 3.82 -0.30 2.79 2.12 -0.29 -1.12 118.70 127.08 1ukp s GLU 178 Ca 0.01 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.01 1ukp s GLU 178 Cb -0.16 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1ukp s GLU 178 CO -0.04 -0.43 0.81 0.08 -0.54 0.00 0.00 175.26 175.14 1ukp s VAL 179 N 2.15 4.78 0.26 3.70 1.01 0.37 -0.54 120.40 132.14 1ukp s VAL 179 Ca 0.16 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1ukp s VAL 179 Cb -0.16 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1ukp s VAL 179 CO 0.11 -0.24 1.33 -0.83 0.00 0.00 0.00 175.10 175.47 1ukp s GLY 180 N 1.58 2.63 -0.02 4.51 0.00 -0.44 -4.53 107.32 111.05 1ukp s GLY 180 Ca 0.33 1.20 0.03 0.00 0.00 0.00 0.00 44.72 46.29 1ukp s GLY 180 CO 0.12 2.05 0.86 1.04 0.00 0.00 0.00 173.10 177.17 1ukp n LEU 181 N 1.89 1.07 0.00 0.66 4.77 -0.75 -4.73 117.00 119.92 1ukp n LEU 181 Ca 0.04 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1ukp n LEU 181 Cb 0.42 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1ukp n LEU 181 CO 0.59 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1ukp n GLY 182 N -0.41 -0.54 3.69 -0.72 0.00 -0.97 -4.45 105.19 101.79 1ukp n GLY 182 Ca 0.03 -0.83 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 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 2.18 -1.57 1.61 -0.02 -1.25 -0.59 135.00 135.37 1ukp n PRO 183 Ca 0.00 0.77 -0.18 0.00 -2.02 0.00 0.00 63.50 62.07 1ukp n PRO 183 Cb 0.00 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 30.96 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 1.68 -0.30 -0.83 3.55 0.00 -1.26 -1.41 120.51 121.94 1ukp n ALA 184 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ukp n ALA 184 Cb 0.33 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.37 1.00 3.85 0.00 0.00 0.25 -5.01 105.19 104.91 1ukp n GLY 185 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.15 3.96 -0.93 1.61 2.02 -0.50 -1.80 118.70 122.90 1ukp s GLU 186 Ca 0.00 0.51 -0.24 0.00 0.02 0.00 0.00 54.97 55.25 1ukp s GLU 186 Cb 0.00 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.55 1ukp s GLU 186 CO 0.00 0.34 1.48 -1.17 0.02 0.00 0.00 175.26 175.93 1ukp s LEU 187 N -2.50 3.38 0.02 1.80 2.96 -0.41 -2.29 118.68 121.64 1ukp s LEU 187 Ca 0.46 -1.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.00 1ukp s LEU 187 Cb -0.13 -2.57 0.10 0.00 0.50 0.00 0.00 46.19 44.10 1ukp s LEU 187 CO 0.20 -1.75 1.24 0.00 -1.32 0.00 0.00 176.35 174.72 1ukp s ARG 188 N 5.44 0.56 0.21 1.98 1.70 -1.26 -4.63 118.95 122.96 1ukp s ARG 188 Ca 0.47 -0.35 -0.04 0.00 -0.47 0.00 0.00 55.73 55.34 1ukp s ARG 188 Cb -0.03 0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 1ukp s ARG 188 CO -0.02 -0.26 0.45 0.71 -1.08 0.00 0.00 175.30 175.09 1ukp s TYR 189 N -2.21 3.47 -1.46 5.89 2.02 0.51 -4.42 117.35 121.16 1ukp s TYR 189 Ca 0.23 0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 57.34 1ukp s TYR 189 Cb 0.01 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1ukp s TYR 189 CO -0.01 0.32 2.35 -0.35 -1.57 0.00 0.00 175.55 176.30 1ukp n PRO 190 N -0.51 3.27 0.02 -1.71 -0.04 -1.26 -4.68 135.00 130.09 1ukp n PRO 190 Ca -0.03 -2.71 0.13 0.00 -0.04 0.00 0.00 63.50 60.86 1ukp n PRO 190 Cb 0.53 -3.08 0.57 0.00 -0.04 0.00 0.00 33.50 31.48 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 4.90 0.13 -3.19 3.54 3.41 -1.26 -4.27 113.62 116.88 1ukp n SER 191 Ca 0.57 0.51 -0.23 0.00 -0.26 0.00 0.00 58.87 59.47 1ukp n SER 191 Cb 0.34 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 1ukp n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukp n TYR 192 N -1.62 0.88 -2.34 7.33 4.11 -1.26 -1.52 117.16 122.74 1ukp n TYR 192 Ca 0.07 -3.78 -0.42 0.00 -0.00 0.00 0.00 57.90 53.76 1ukp n TYR 192 Cb 0.34 -0.42 -0.03 0.00 -0.00 0.00 0.00 39.34 39.24 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 -2.08 4.28 0.15 -3.48 0.04 -1.26 -4.89 135.00 127.76 1ukp s PRO 193 Ca 0.39 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1ukp s PRO 193 Cb 0.25 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1ukp s PRO 193 CO -0.09 -0.61 1.55 0.37 0.04 0.00 0.00 177.00 178.26 1ukp h GLN 194 N 8.02 0.96 -0.05 4.56 4.15 -1.94 -1.94 115.11 128.87 1ukp h GLN 194 Ca -0.33 -0.40 0.02 0.00 0.77 0.00 0.00 58.65 58.70 1ukp h GLN 194 Cb 1.15 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.80 1ukp h GLN 194 CO 0.92 1.07 0.11 0.66 -1.93 0.00 0.00 178.83 179.66 1ukp h SER 195 N 0.81 0.00 -0.70 -0.69 4.64 -1.91 -0.00 113.55 115.70 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 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 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 -3.41 2.71 0.00 4.77 6.02 -1.04 -4.95 117.38 121.47 1ukp n GLN 196 Ca -0.02 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.35 1ukp n GLN 196 Cb 0.19 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 1.63 0.27 3.68 1.08 0.00 -0.01 -5.04 105.19 106.80 1ukp n GLY 197 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.87 1.87 -3.76 1.61 -0.00 -0.76 -4.91 117.44 109.62 1ukp n TRP 198 Ca 0.00 0.50 -0.14 0.00 -0.00 0.00 0.00 57.50 57.86 1ukp n TRP 198 Cb 0.00 -2.33 -0.15 0.00 -0.00 0.00 0.00 31.31 28.83 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 -2.29 0.04 0.31 5.87 2.02 -1.26 -4.59 118.70 118.79 1ukp s GLU 199 Ca 0.64 0.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.62 1ukp s GLU 199 Cb -0.50 -0.20 -0.13 0.00 0.10 0.00 0.00 34.13 33.40 1ukp s GLU 199 CO 0.56 -0.16 1.29 0.34 0.02 0.00 0.00 175.26 177.30 1ukp n PHE 200 N 4.14 2.14 -1.96 1.61 7.35 -1.26 -0.29 117.46 129.19 1ukp n PHE 200 Ca -0.26 0.54 -0.38 0.00 -0.76 0.00 0.00 57.45 56.59 1ukp n PHE 200 Cb 0.51 -2.41 0.04 0.00 0.35 0.00 0.00 39.48 37.97 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 0.93 2.85 -1.64 -7.13 -0.04 -1.26 -5.14 135.00 123.56 1ukp n PRO 201 Ca 0.07 -3.65 -0.39 0.00 -0.04 0.00 0.00 63.50 59.49 1ukp n PRO 201 Cb 0.34 -2.27 0.04 0.00 -0.04 0.00 0.00 33.50 31.57 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 -0.56 -0.04 0.19 0.55 0.00 0.61 -4.88 105.19 101.05 1ukp n GLY 202 Ca 0.52 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.68 1ukp n GLY 202 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ukp h ILE 203 N 1.07 0.00 0.00 -0.61 3.07 -1.08 -3.46 117.51 116.50 1ukp h ILE 203 Ca -0.48 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.57 1ukp h ILE 203 Cb 1.34 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 1ukp h ILE 203 CO 0.54 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 1ukp n GLY 204 N 0.09 -1.30 3.20 0.16 0.00 -0.28 -3.94 105.19 103.12 1ukp n GLY 204 Ca 0.02 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.10 0.90 0.35 1.61 2.02 -0.58 -4.16 118.70 117.74 1ukp s GLU 205 Ca 0.00 -1.01 -0.28 0.00 0.02 0.00 0.00 54.97 53.70 1ukp s GLU 205 Cb 0.00 -0.97 -0.10 0.00 0.10 0.00 0.00 34.13 33.16 1ukp s GLU 205 CO 0.00 0.22 1.26 -0.06 0.02 0.00 0.00 175.26 176.70 1ukp s PHE 206 N -1.26 3.09 -0.42 1.61 0.08 -1.26 -4.39 117.98 115.43 1ukp s PHE 206 Ca 0.00 1.47 0.05 0.00 0.12 0.00 0.00 56.93 58.58 1ukp s PHE 206 Cb -0.10 -3.58 0.43 0.00 -0.57 0.00 0.00 43.02 39.20 1ukp s PHE 206 CO 0.03 -1.64 1.17 1.04 -0.10 0.00 0.00 175.22 175.72 1ukp n GLN 207 N 0.64 3.45 -1.58 0.44 1.13 -1.26 -4.37 117.38 115.83 1ukp n GLN 207 Ca 0.01 -4.37 -0.20 0.00 -1.94 0.00 0.00 57.00 50.50 1ukp n GLN 207 Cb 0.43 -2.26 0.08 0.00 0.11 0.00 0.00 30.24 28.60 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 -0.85 0.42 -1.69 0.00 4.02 -0.80 -4.18 117.16 114.09 1ukp n TYR 209 Ca 0.43 -0.32 -0.34 0.00 -0.01 0.00 0.00 57.90 57.67 1ukp n TYR 209 Cb 0.90 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.27 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 -1.12 4.85 0.42 7.72 1.47 -1.26 -4.75 116.67 123.99 1ukp s ASP 210 Ca 0.28 2.13 0.17 0.00 1.18 0.00 0.00 52.55 56.32 1ukp s ASP 210 Cb 0.16 -2.57 1.07 0.00 -0.34 0.00 0.00 42.92 41.25 1ukp s ASP 210 CO 0.22 -1.81 1.87 0.07 0.68 0.00 0.00 175.17 176.19 1ukp h LYS 211 N 0.01 0.40 0.00 2.11 2.10 -1.93 -1.27 116.57 118.00 1ukp h LYS 211 Ca -0.47 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ukp h LYS 211 Cb 1.26 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1ukp h LYS 211 CO 0.53 0.27 -0.00 1.88 -2.00 0.00 0.00 179.45 180.12 1ukp h TYR 212 N 0.41 -0.00 -0.09 0.07 0.05 -1.90 -0.58 116.97 114.93 1ukp h TYR 212 Ca 0.45 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.12 1ukp h TYR 212 Cb 1.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 1ukp h TYR 212 CO -0.00 0.25 -0.47 -0.07 -1.05 0.00 0.00 178.16 176.82 1ukp h LEU 213 N -0.26 0.24 -0.85 3.88 3.38 -1.78 -1.22 115.31 118.70 1ukp h LEU 213 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1ukp h LEU 213 Cb 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ukp h LEU 213 CO 0.00 0.68 0.22 0.50 0.09 0.00 0.00 178.44 179.93 1ukp h LYS 214 N 0.18 1.07 -0.12 1.13 3.64 -1.13 0.25 116.57 121.60 1ukp h LYS 214 Ca 0.01 -0.22 -0.16 0.00 -1.27 0.00 0.00 60.65 59.01 1ukp h LYS 214 Cb 0.90 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1ukp h LYS 214 CO 0.07 0.91 -0.61 0.00 -2.27 0.00 0.00 179.45 177.56 1ukp h ALA 215 N 1.20 0.73 -0.20 5.00 0.00 -0.86 -1.28 119.26 123.86 1ukp h ALA 215 Ca 0.23 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ukp h ALA 215 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ukp h ALA 215 CO -0.01 0.72 0.01 0.22 0.00 0.00 0.00 179.25 180.19 1ukp h ASP 216 N 0.30 0.34 -0.57 0.00 1.82 -0.63 -2.02 116.42 115.66 1ukp h ASP 216 Ca -0.01 -0.30 -0.10 0.00 -0.39 0.00 0.00 57.03 56.24 1ukp h ASP 216 Cb 1.14 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1ukp h ASP 216 CO 0.10 0.55 -0.02 0.15 -1.61 0.00 0.00 179.24 178.42 1ukp h PHE 217 N 0.11 1.11 -0.68 0.28 3.57 -0.48 -2.05 116.94 118.80 1ukp h PHE 217 Ca 0.06 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1ukp h PHE 217 Cb 0.37 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1ukp h PHE 217 CO 0.03 1.00 0.41 -0.22 -2.23 0.00 0.00 178.31 177.30 1ukp h LYS 218 N 0.90 0.92 -0.16 1.11 3.64 -1.14 -0.39 116.57 121.45 1ukp h LYS 218 Ca 0.16 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.26 1ukp h LYS 218 Cb 0.57 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ukp h LYS 218 CO 0.03 0.64 -0.71 0.00 -2.27 0.00 0.00 179.45 177.14 1ukp h ALA 219 N 1.52 0.42 -0.22 5.00 0.00 -1.20 -2.89 119.26 121.90 1ukp h ALA 219 Ca 0.25 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1ukp h ALA 219 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ukp h ALA 219 CO -0.05 0.70 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1ukp h ALA 220 N 0.69 0.28 -0.12 0.00 0.00 -0.67 -1.99 119.26 117.46 1ukp h ALA 220 Ca -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1ukp h ALA 220 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ukp h ALA 220 CO 0.14 -0.09 -0.31 -0.39 0.00 0.00 0.00 179.25 178.60 1ukp h VAL 221 N 0.18 1.26 -0.43 0.00 -1.51 -1.17 -2.02 116.25 112.57 1ukp h VAL 221 Ca 0.07 -1.26 -0.12 0.00 -1.23 0.00 0.00 66.70 64.16 1ukp h VAL 221 Cb 0.23 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1ukp h VAL 221 CO -0.00 0.38 -0.21 0.00 -1.23 0.00 0.00 177.57 176.51 1ukp h ALA 222 N 1.48 0.82 -0.13 5.19 0.00 -1.37 0.25 119.26 125.50 1ukp h ALA 222 Ca 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1ukp h ALA 222 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ukp h ALA 222 CO 0.05 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.68 1ukp h ARG 223 N 0.74 0.24 -0.00 0.00 3.08 -1.03 -0.91 114.38 116.51 1ukp h ARG 223 Ca 0.10 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ukp h ARG 223 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1ukp h ARG 223 CO 0.06 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 1ukp n ALA 224 N -2.48 2.61 -1.61 0.04 0.00 -0.79 -4.87 120.51 113.41 1ukp n ALA 224 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1ukp n ALA 224 Cb 0.37 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 0.80 0.59 2.36 0.00 0.00 -0.35 -4.97 105.19 103.61 1ukp n GLY 225 Ca 0.14 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.29 1.42 0.24 1.61 8.25 0.84 -4.92 115.22 119.37 1ukp n HIS 226 Ca -0.08 -3.83 0.03 0.00 -0.26 0.00 0.00 57.72 53.58 1ukp n HIS 226 Cb 0.39 -0.44 0.15 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 0.77 0.00 0.06 -0.41 -0.04 -1.25 -1.99 135.00 132.14 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 0.51 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.50 0.19 -2.44 0.54 0.00 -1.26 -4.84 120.64 111.33 1ukp n GLU 228 Ca 0.02 0.11 -0.42 0.00 0.00 0.00 0.00 57.16 56.87 1ukp n GLU 228 Cb 0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.82 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 -3.09 3.46 0.38 -1.84 0.51 -0.84 -5.04 118.94 112.48 1ukp s TRP 229 Ca 0.10 1.34 0.08 0.00 -2.12 0.00 0.00 56.10 55.50 1ukp s TRP 229 Cb 0.15 -3.40 -0.07 0.00 -0.81 0.00 0.00 33.47 29.34 1ukp s TRP 229 CO 0.63 -1.18 0.01 -1.21 -0.51 0.00 0.00 176.95 174.69 1ukp s GLU 230 N 0.99 1.99 0.83 4.98 0.41 -1.26 -4.96 118.70 121.68 1ukp s GLU 230 Ca 0.58 -1.94 -0.12 0.00 -0.41 0.00 0.00 54.97 53.07 1ukp s GLU 230 Cb -0.29 -1.78 0.10 0.00 -1.78 0.00 0.00 34.13 30.38 1ukp s GLU 230 CO 0.29 0.03 1.19 -0.51 -0.49 0.00 0.00 175.26 175.77 1ukp s LEU 231 N -3.71 3.07 0.24 1.80 1.43 -1.26 -4.88 118.68 115.37 1ukp s LEU 231 Ca 0.35 2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 55.46 1ukp s LEU 231 Cb 0.05 -4.58 -0.15 0.00 0.03 0.00 0.00 46.19 41.54 1ukp s LEU 231 CO 0.19 -2.75 1.03 -2.65 0.23 0.00 0.00 176.35 172.40 1ukp n PRO 232 N -3.52 1.18 0.00 1.29 -0.02 -1.26 -4.93 135.00 127.74 1ukp n PRO 232 Ca 0.13 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ukp n PRO 232 Cb 0.51 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.57 0.11 -1.32 2.55 5.75 -1.26 -4.82 116.55 119.12 1ukp n ASP 233 Ca 0.12 -0.41 -0.09 0.00 -0.01 0.00 0.00 54.79 54.41 1ukp n ASP 233 Cb 0.29 0.35 0.11 0.00 -1.03 0.00 0.00 41.12 40.84 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 -0.35 3.28 -0.49 -1.12 5.75 -1.26 -4.74 116.55 117.62 1ukp n ASP 234 Ca 0.00 -3.80 0.13 0.00 -0.01 0.00 0.00 54.79 51.11 1ukp n ASP 234 Cb 0.03 -0.43 0.38 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.90 2.77 -0.12 2.12 0.00 -1.26 -0.57 120.51 122.54 1ukp n ALA 235 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ukp n ALA 235 Cb 0.83 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 1.27 -0.82 3.46 0.00 0.00 -1.26 -4.88 105.19 102.95 1ukp n GLY 236 Ca 0.16 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 1.72 0.17 1.61 1.02 -1.26 -4.97 119.74 118.02 1ukp s LYS 237 Ca 0.00 -1.98 -0.07 0.00 0.02 0.00 0.00 55.97 53.94 1ukp s LYS 237 Cb 0.00 -0.77 0.25 0.00 -0.52 0.00 0.00 37.83 36.79 1ukp s LYS 237 CO 0.00 -0.27 0.98 0.66 -0.92 0.00 0.00 175.35 175.80 1ukp n TYR 238 N -0.74 0.16 0.84 3.18 4.01 -1.26 -1.38 117.16 121.98 1ukp n TYR 238 Ca -0.03 0.77 0.12 0.00 -0.16 0.00 0.00 57.90 58.60 1ukp n TYR 238 Cb 0.66 -0.83 0.28 0.00 -0.31 0.00 0.00 39.34 39.15 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 -5.00 2.59 -4.59 7.72 5.03 -1.26 -1.12 115.26 118.62 1ukp n ASN 239 Ca 0.09 -1.85 -0.29 0.00 0.87 0.00 0.00 54.58 53.40 1ukp n ASN 239 Cb 0.30 -0.14 0.21 0.00 -1.02 0.00 0.00 39.78 39.12 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 -1.64 1.95 0.12 6.41 1.01 -0.48 -4.65 116.67 119.40 1ukp s ASP 240 Ca 0.35 1.43 0.07 0.00 0.71 0.00 0.00 52.55 55.10 1ukp s ASP 240 Cb 0.20 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1ukp s ASP 240 CO 0.30 -3.59 -0.05 0.68 0.21 0.00 0.00 175.17 172.72 1ukp s VAL 241 N -2.71 3.64 0.20 -1.27 -7.23 -1.26 -2.52 120.40 109.24 1ukp s VAL 241 Ca 0.67 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 59.40 1ukp s VAL 241 Cb -0.22 -2.75 0.15 0.00 0.56 0.00 0.00 36.38 34.13 1ukp s VAL 241 CO 0.61 0.05 1.59 1.55 -0.31 0.00 0.00 175.10 178.59 1ukp h PRO 242 N 3.32 -0.12 0.00 4.82 0.13 -1.97 -1.83 132.00 136.34 1ukp h PRO 242 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ukp h PRO 242 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ukp h PRO 242 CO 0.56 -0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.64 1ukp n GLU 243 N -5.44 0.03 -0.34 0.86 -0.58 -1.26 -1.73 120.64 112.18 1ukp n GLU 243 Ca 0.05 0.44 0.07 0.00 -0.42 0.00 0.00 57.16 57.30 1ukp n GLU 243 Cb 0.36 -1.59 0.24 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.65 3.06 -4.33 1.62 3.41 -0.69 -4.76 113.62 110.28 1ukp n SER 244 Ca 0.01 -2.15 -0.21 0.00 -0.26 0.00 0.00 58.87 56.26 1ukp n SER 244 Cb 0.07 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.53 1.80 0.07 6.66 -4.23 -0.70 -4.95 115.64 112.75 1ukp s THR 245 Ca 0.35 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1ukp s THR 245 Cb 0.20 -1.86 -0.13 0.00 1.34 0.00 0.00 72.50 72.05 1ukp s THR 245 CO 0.20 -0.35 1.34 1.23 -0.54 0.00 0.00 174.62 176.51 1ukp h GLY 246 N 3.18 0.00 0.64 3.99 0.00 -1.74 -2.71 103.07 106.42 1ukp h GLY 246 Ca -0.42 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1ukp h GLY 246 CO 0.52 0.00 -0.31 -2.75 0.00 0.00 0.00 176.54 174.01 1ukp h PHE 247 N 0.00 0.41 -0.01 5.60 3.57 -1.18 -1.02 116.94 124.30 1ukp h PHE 247 Ca -0.01 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1ukp h PHE 247 Cb 1.63 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1ukp h PHE 247 CO 0.00 0.93 -0.43 1.19 -2.23 0.00 0.00 178.31 177.77 1ukp n PHE 248 N -4.45 0.00 -1.43 0.41 3.72 -1.26 -0.95 117.46 113.51 1ukp n PHE 248 Ca -0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 1ukp n PHE 248 Cb 0.50 -0.02 0.18 0.00 -0.94 0.00 0.00 39.48 39.20 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 -2.47 0.26 0.17 -1.08 -2.85 -1.02 -4.57 119.74 108.17 1ukp s LYS 249 Ca 0.20 0.08 -0.34 0.00 -1.00 0.00 0.00 55.97 54.92 1ukp s LYS 249 Cb 0.18 -1.76 -0.14 0.00 -2.06 0.00 0.00 37.83 34.05 1ukp s LYS 249 CO 0.56 -2.75 1.46 0.45 0.10 0.00 0.00 175.35 175.16 1ukp n SER 250 N -4.11 2.61 -2.21 0.03 2.88 -1.26 -0.19 113.62 111.36 1ukp n SER 250 Ca 0.10 1.11 -0.14 0.00 -1.33 0.00 0.00 58.87 58.61 1ukp n SER 250 Cb 0.59 -1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 62.66 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 2.81 -4.20 -2.81 -3.46 3.02 -1.26 -4.95 115.26 104.42 1ukp n ASN 251 Ca 0.16 0.19 -0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1ukp n ASN 251 Cb 0.27 -3.61 0.09 0.00 -0.61 0.00 0.00 39.78 35.92 1ukp n ASN 251 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ukp n GLY 252 N -0.72 -1.85 0.35 7.41 0.00 0.73 -4.90 105.19 106.21 1ukp n GLY 252 Ca -0.16 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.60 0.85 0.00 2.61 2.02 -1.04 -2.63 112.91 113.13 1ukp h THR 253 Ca -0.16 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1ukp h THR 253 Cb 0.47 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1ukp h THR 253 CO 0.11 0.04 0.04 0.10 0.37 0.00 0.00 175.52 176.18 1ukp h TYR 254 N 0.20 0.00 -0.27 3.16 -0.00 -1.31 -0.79 116.97 117.96 1ukp h TYR 254 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.96 1ukp h TYR 254 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.37 1ukp h TYR 254 CO -0.00 0.00 0.00 1.33 -0.00 0.00 0.00 178.16 179.49 1ukp n VAL 255 N -2.48 0.37 -2.56 -0.90 0.24 -0.99 -3.82 118.33 108.19 1ukp n VAL 255 Ca -0.02 -0.69 -0.26 0.00 -2.04 0.00 0.00 64.34 61.33 1ukp n VAL 255 Cb 0.08 1.10 0.02 0.00 -1.47 0.00 0.00 33.84 33.57 1ukp n VAL 255 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ukp s THR 256 N -1.52 4.21 0.26 3.34 -4.23 -0.30 -4.84 115.64 112.55 1ukp s THR 256 Ca 0.33 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1ukp s THR 256 Cb 0.20 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.66 1ukp s THR 256 CO 0.29 -0.61 1.83 -0.08 -0.54 0.00 0.00 174.62 175.52 1ukp h GLU 257 N 0.05 0.90 -0.40 3.99 4.81 -1.93 0.32 114.58 122.33 1ukp h GLU 257 Ca -0.46 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 1ukp h GLU 257 Cb 1.23 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1ukp h GLU 257 CO 0.61 0.60 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.26 1ukp h LYS 258 N 0.93 0.71 0.37 1.92 3.64 -1.93 -2.11 116.57 120.11 1ukp h LYS 258 Ca 0.43 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1ukp h LYS 258 Cb 0.35 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1ukp h LYS 258 CO -0.23 0.80 -0.18 0.78 -2.27 0.00 0.00 179.45 178.35 1ukp h GLY 259 N 0.54 -0.52 1.86 5.01 0.00 -1.11 -2.41 103.07 106.44 1ukp h GLY 259 Ca 0.11 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.65 1ukp h GLY 259 CO 0.02 -0.19 0.06 0.50 0.00 0.00 0.00 176.54 176.93 1ukp h LYS 260 N -0.57 0.03 -0.18 4.80 1.57 -0.46 -1.72 116.57 120.05 1ukp h LYS 260 Ca -0.05 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1ukp h LYS 260 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ukp h LYS 260 CO 0.08 0.02 -0.36 0.35 -0.57 0.00 0.00 179.45 178.97 1ukp h PHE 261 N 0.03 0.71 0.13 -1.35 3.57 -1.22 -2.48 116.94 116.33 1ukp h PHE 261 Ca 0.04 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1ukp h PHE 261 Cb 0.11 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1ukp h PHE 261 CO -0.00 1.00 -0.06 0.35 -2.23 0.00 0.00 178.31 177.36 1ukp h PHE 262 N 0.21 -0.17 -0.39 0.41 3.57 -0.88 -0.48 116.94 119.21 1ukp h PHE 262 Ca 0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1ukp h PHE 262 Cb 0.96 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1ukp h PHE 262 CO 0.09 -0.08 0.26 -0.07 -2.23 0.00 0.00 178.31 176.29 1ukp h LEU 263 N -0.21 0.34 -0.05 0.59 3.38 -1.40 0.51 115.31 118.46 1ukp h LEU 263 Ca -0.02 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1ukp h LEU 263 Cb 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ukp h LEU 263 CO 0.03 0.23 -0.23 0.74 0.09 0.00 0.00 178.44 179.31 1ukp h THR 264 N 0.39 1.45 -0.46 0.22 2.02 -1.16 -1.97 112.91 113.39 1ukp h THR 264 Ca 0.16 -1.66 0.01 0.00 0.77 0.00 0.00 66.41 65.69 1ukp h THR 264 Cb 0.15 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1ukp h THR 264 CO -0.04 0.47 0.30 -0.25 0.37 0.00 0.00 175.52 176.36 1ukp h TRP 265 N -0.29 0.56 -0.02 3.16 7.01 -0.30 -0.66 115.95 125.40 1ukp h TRP 265 Ca -0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1ukp h TRP 265 Cb 0.87 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1ukp h TRP 265 CO 0.13 0.34 0.01 -0.92 -2.79 0.00 0.00 178.44 175.21 1ukp h TYR 266 N 0.60 0.02 0.00 2.65 3.20 -0.03 -2.56 116.97 120.85 1ukp h TYR 266 Ca 0.17 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 1ukp h TYR 266 Cb -0.04 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1ukp h TYR 266 CO -0.05 0.01 -0.55 0.66 -1.64 0.00 0.00 178.16 176.59 1ukp h SER 267 N 0.02 0.00 0.03 -2.11 4.64 -1.28 -3.10 113.55 111.75 1ukp h SER 267 Ca 0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1ukp h SER 267 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ukp h SER 267 CO -0.01 0.55 -0.31 0.78 -0.87 0.00 0.00 176.83 176.96 1ukp h ASN 268 N 0.00 0.42 -0.78 4.97 -0.26 -0.97 -2.87 115.58 116.09 1ukp h ASN 268 Ca -0.01 -0.16 0.09 0.00 -0.56 0.00 0.00 56.30 55.67 1ukp h ASN 268 Cb 1.09 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 38.18 1ukp h ASN 268 CO 0.07 0.72 0.51 0.11 -1.06 0.00 0.00 177.43 177.79 1ukp h LYS 269 N 0.36 0.70 -0.17 0.81 1.79 -1.38 -1.91 116.57 116.79 1ukp h LYS 269 Ca 0.05 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1ukp h LYS 269 Cb 0.73 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1ukp h LYS 269 CO 0.06 0.47 -0.48 -0.07 -1.08 0.00 0.00 179.45 178.34 1ukp h LEU 270 N 0.72 0.71 -0.46 2.94 3.38 -1.64 -1.08 115.31 119.88 1ukp h LEU 270 Ca 0.36 -0.59 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1ukp h LEU 270 Cb 0.43 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1ukp h LEU 270 CO -0.13 1.17 0.14 -0.07 0.09 0.00 0.00 178.44 179.64 1ukp h LEU 271 N 0.28 0.11 -0.63 1.67 3.38 -1.30 -0.33 115.31 118.49 1ukp h LEU 271 Ca -0.01 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1ukp h LEU 271 Cb 1.10 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1ukp h LEU 271 CO 0.10 0.09 -0.67 0.78 0.09 0.00 0.00 178.44 178.84 1ukp h ASN 272 N 0.30 0.12 -0.14 -0.43 2.35 -1.38 -1.04 115.58 115.35 1ukp h ASN 272 Ca 0.22 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1ukp h ASN 272 Cb 0.25 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1ukp h ASN 272 CO -0.25 0.75 0.08 -0.74 -1.65 0.00 0.00 177.43 175.62 1ukp h HIS 273 N 0.07 0.18 -0.32 1.19 2.76 -0.59 -0.39 115.15 118.05 1ukp h HIS 273 Ca -0.01 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1ukp h HIS 273 Cb 1.18 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 1ukp h HIS 273 CO 0.01 0.16 -0.06 0.78 -1.30 0.00 0.00 177.93 177.52 1ukp h GLY 274 N 0.15 0.66 0.93 5.26 0.00 -0.99 -2.61 103.07 106.47 1ukp h GLY 274 Ca 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1ukp h GLY 274 CO -0.01 0.49 0.26 -1.80 0.00 0.00 0.00 176.54 175.48 1ukp h ASP 275 N 0.39 0.43 -0.55 0.19 3.58 -1.03 -0.21 116.42 119.23 1ukp h ASP 275 Ca 0.08 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 1ukp h ASP 275 Cb 0.55 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1ukp h ASP 275 CO 0.03 0.31 0.05 1.56 -2.88 0.00 0.00 179.24 178.31 1ukp h GLN 276 N 0.53 0.94 -0.08 0.28 4.20 -1.06 -1.99 115.11 117.93 1ukp h GLN 276 Ca 0.17 -0.27 -0.16 0.00 0.06 0.00 0.00 58.65 58.44 1ukp h GLN 276 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1ukp h GLN 276 CO -0.07 0.92 -0.64 0.82 -0.67 0.00 0.00 178.83 179.20 1ukp h ILE 277 N 0.82 1.38 -0.18 2.54 2.04 -1.34 -2.75 117.51 120.02 1ukp h ILE 277 Ca 0.16 -2.03 -0.09 0.00 1.00 0.00 0.00 64.86 63.90 1ukp h ILE 277 Cb 0.47 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1ukp h ILE 277 CO 0.02 0.60 -0.30 -0.07 0.00 0.00 0.00 178.15 178.40 1ukp h LEU 278 N 0.22 0.35 -0.72 1.44 3.38 -0.92 -1.79 115.31 117.28 1ukp h LEU 278 Ca -0.01 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1ukp h LEU 278 Cb 1.17 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1ukp h LEU 278 CO 0.10 0.65 0.39 0.44 0.09 0.00 0.00 178.44 180.11 1ukp h ASP 279 N 0.30 0.56 0.35 -0.43 3.32 -1.06 0.51 116.42 119.96 1ukp h ASP 279 Ca 0.04 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1ukp h ASP 279 Cb 0.69 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1ukp h ASP 279 CO 0.05 0.34 -0.55 -0.33 -1.72 0.00 0.00 179.24 177.03 1ukp h GLU 280 N 0.69 0.22 -0.45 3.56 4.39 -1.32 -2.74 114.58 118.92 1ukp h GLU 280 Ca 0.34 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 1ukp h GLU 280 Cb 0.28 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1ukp h GLU 280 CO -0.22 0.71 -0.19 0.00 -1.16 0.00 0.00 179.01 178.14 1ukp h ALA 281 N 1.26 0.80 -0.69 3.43 0.00 -0.36 0.77 119.26 124.48 1ukp h ALA 281 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ukp h ALA 281 Cb 1.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ukp h ALA 281 CO 0.08 0.65 0.33 -0.91 0.00 0.00 0.00 179.25 179.41 1ukp h ASN 282 N 0.78 0.90 -0.37 0.00 4.21 -0.87 -1.03 115.58 119.20 1ukp h ASN 282 Ca 0.11 -0.13 -0.07 0.00 1.21 0.00 0.00 56.30 57.42 1ukp h ASN 282 Cb 0.74 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1ukp h ASN 282 CO 0.06 0.78 -0.05 0.11 -1.29 0.00 0.00 177.43 177.04 1ukp h LYS 283 N 0.95 0.68 -0.83 0.81 1.57 -1.19 -0.97 116.57 117.59 1ukp h LYS 283 Ca 0.24 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ukp h LYS 283 Cb 0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1ukp h LYS 283 CO -0.03 0.81 0.41 0.00 -0.57 0.00 0.00 179.45 180.07 1ukp h ALA 284 N 0.84 1.16 -0.37 3.86 0.00 -0.56 -3.20 119.26 120.99 1ukp h ALA 284 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ukp h ALA 284 Cb 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ukp h ALA 284 CO 0.03 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.11 1ukp n PHE 285 N -4.32 1.04 -1.61 0.00 3.72 -0.42 -4.83 117.46 111.04 1ukp n PHE 285 Ca 0.08 -0.74 -0.52 0.00 -0.05 0.00 0.00 57.45 56.22 1ukp n PHE 285 Cb 0.13 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.35 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 0.08 1.83 0.00 4.37 7.94 -0.37 -1.42 117.00 129.42 1ukp n LEU 286 Ca 0.20 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1ukp n LEU 286 Cb 0.82 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.58 1ukp n LEU 286 CO 0.17 -0.92 0.00 0.61 -1.11 0.00 0.00 177.39 176.14 1ukp n GLY 287 N 2.81 3.06 3.77 -3.96 0.00 0.10 -4.89 105.19 106.09 1ukp n GLY 287 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.32 3.09 -3.88 0.00 5.02 -1.26 -0.14 118.16 120.67 1ukp n LYS 289 Ca 0.06 -3.01 -0.09 0.00 -2.02 0.00 0.00 58.31 53.26 1ukp n LYS 289 Cb 0.48 -3.28 -0.07 0.00 -0.02 0.00 0.00 35.03 32.14 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 2.97 0.15 0.11 -0.18 -7.23 -1.26 -4.70 120.40 110.25 1ukp s VAL 290 Ca 0.48 -1.23 0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1ukp s VAL 290 Cb 0.09 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1ukp s VAL 290 CO -0.02 -0.66 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.55 1ukp s LYS 291 N -3.87 2.47 0.27 4.82 -0.14 -0.77 -4.47 119.74 118.04 1ukp s LYS 291 Ca 0.06 -0.91 0.01 0.00 -1.36 0.00 0.00 55.97 53.77 1ukp s LYS 291 Cb 0.05 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 1ukp s LYS 291 CO -0.11 0.52 0.45 -0.51 -0.76 0.00 0.00 175.35 174.95 1ukp s LEU 292 N -2.40 4.16 0.16 3.17 1.43 -1.26 -0.21 118.68 123.73 1ukp s LEU 292 Ca 0.25 0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 53.48 1ukp s LEU 292 Cb -0.11 -3.17 0.07 0.00 0.03 0.00 0.00 46.19 43.01 1ukp s LEU 292 CO 0.18 -0.15 0.62 0.00 0.23 0.00 0.00 176.35 177.23 1ukp s ALA 293 N -2.07 -1.58 0.18 4.21 0.00 -0.28 -0.60 121.76 121.62 1ukp s ALA 293 Ca 0.38 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1ukp s ALA 293 Cb -0.10 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1ukp s ALA 293 CO 0.32 -0.79 -0.01 0.96 0.00 0.00 0.00 175.76 176.23 1ukp s ILE 294 N -3.74 0.81 -0.16 0.00 -4.36 -0.87 -0.47 121.20 112.41 1ukp s ILE 294 Ca 0.02 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.39 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 -0.11 -0.50 -0.07 -0.75 0.24 0.00 0.00 174.94 173.75 1ukp s LYS 295 N -3.88 3.52 -0.14 0.37 2.47 -1.26 -1.32 119.74 119.50 1ukp s LYS 295 Ca 0.23 -0.60 -0.03 0.00 -1.56 0.00 0.00 55.97 54.02 1ukp s LYS 295 Cb 0.05 -2.83 -0.03 0.00 -1.46 0.00 0.00 37.83 33.57 1ukp s LYS 295 CO 0.04 0.16 -0.04 0.08 0.16 0.00 0.00 175.35 175.75 1ukp s VAL 296 N 0.55 3.92 0.51 4.02 1.01 -0.25 -1.29 120.40 128.86 1ukp s VAL 296 Ca -0.05 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1ukp s VAL 296 Cb -0.15 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 1ukp s VAL 296 CO 0.03 0.52 1.05 -0.55 0.00 0.00 0.00 175.10 176.15 1ukp s SER 297 N 0.08 6.21 -0.60 3.32 0.15 -1.26 -4.39 113.70 117.21 1ukp s SER 297 Ca -0.00 1.94 -0.09 0.00 0.70 0.00 0.00 55.95 58.49 1ukp s SER 297 Cb -0.13 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.77 1ukp s SER 297 CO 0.03 -0.88 0.48 -0.83 1.20 0.00 0.00 173.24 173.24 1ukp s GLY 298 N -2.08 2.31 -0.78 9.45 0.00 -1.26 -4.95 107.32 110.02 1ukp s GLY 298 Ca 0.67 -2.92 -0.15 0.00 0.00 0.00 0.00 44.72 42.32 1ukp s GLY 298 CO 0.23 1.15 0.76 -0.42 0.00 0.00 0.00 173.10 174.82 1ukp s ILE 299 N 0.71 5.38 -0.64 0.90 -1.09 -1.26 -4.86 121.20 120.34 1ukp s ILE 299 Ca 0.11 -2.10 0.24 0.00 -2.23 0.00 0.00 60.65 56.68 1ukp s ILE 299 Cb -0.21 -4.49 -0.01 0.00 -1.58 0.00 0.00 42.46 36.17 1ukp s ILE 299 CO -0.03 -1.07 1.22 0.00 -1.23 0.00 0.00 174.94 173.83 1ukp n HIS 300 N 4.67 0.43 -2.68 3.97 1.44 -1.26 -4.72 115.22 117.07 1ukp n HIS 300 Ca 0.09 0.13 -0.42 0.00 -2.01 0.00 0.00 57.72 55.50 1ukp n HIS 300 Cb 0.46 -0.56 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 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 -3.17 3.66 0.00 -1.40 -2.14 -1.26 -1.90 118.94 112.73 1ukp s TRP 301 Ca 0.05 1.68 0.00 0.00 2.66 0.00 0.00 56.10 60.49 1ukp s TRP 301 Cb 0.14 -3.14 0.00 0.00 -3.10 0.00 0.00 33.47 27.37 1ukp s TRP 301 CO 0.75 -0.12 0.00 0.91 -2.66 0.00 0.00 176.95 175.83 1ukp n TRP 302 N 3.64 0.00 0.25 1.66 7.02 -0.56 -4.25 117.44 125.20 1ukp n TRP 302 Ca 0.05 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.65 1ukp n TRP 302 Cb 0.50 0.00 0.65 0.00 -2.42 0.00 0.00 31.31 30.04 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 -1.39 -2.74 116.97 110.05 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 0.16 0.00 1.63 -1.64 0.00 0.00 178.16 178.31 1ukp n LYS 304 N -3.61 0.36 -4.33 1.82 4.76 -0.57 -4.86 118.16 111.72 1ukp n LYS 304 Ca -0.01 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 1ukp n LYS 304 Cb 0.29 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.63 3.03 0.43 -0.18 -7.23 -1.03 -5.03 120.40 107.76 1ukp s VAL 305 Ca 0.26 -1.84 0.25 0.00 -1.81 0.00 0.00 61.98 58.85 1ukp s VAL 305 Cb 0.20 -2.52 0.45 0.00 0.56 0.00 0.00 36.38 35.07 1ukp s VAL 305 CO 0.46 -0.18 1.73 -0.33 -0.31 0.00 0.00 175.10 176.47 1ukp h GLU 306 N 2.73 0.23 0.00 4.82 5.08 -1.89 -2.42 114.58 123.12 1ukp h GLU 306 Ca -0.46 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1ukp h GLU 306 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ukp h GLU 306 CO 0.55 0.15 -0.25 -2.95 -1.00 0.00 0.00 179.01 175.51 1ukp h ASN 307 N 0.23 0.00 -7.01 1.42 -1.07 -1.86 -3.41 115.58 103.89 1ukp h ASN 307 Ca 0.67 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 56.44 1ukp h ASN 307 Cb 1.99 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 38.00 1ukp h ASN 307 CO -0.29 0.17 -0.93 1.41 0.07 0.00 0.00 177.43 177.87 1ukp n HIS 308 N -3.11 -1.34 -0.17 4.14 8.25 -0.91 -4.78 115.22 117.30 1ukp n HIS 308 Ca 0.03 0.67 -0.02 0.00 -0.26 0.00 0.00 57.72 58.14 1ukp n HIS 308 Cb 0.60 -2.67 0.05 0.00 1.12 0.00 0.00 29.99 29.09 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 0.83 0.38 -0.89 -1.41 0.00 -1.87 -1.88 119.26 114.41 1ukp h ALA 309 Ca -0.63 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ukp h ALA 309 Cb 1.39 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 1ukp h ALA 309 CO 0.76 -0.43 0.59 0.00 0.00 0.00 0.00 179.25 180.17 1ukp h ALA 310 N 1.53 1.36 -0.33 0.00 0.00 -1.74 -2.12 119.26 117.95 1ukp h ALA 310 Ca 0.26 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1ukp h ALA 310 Cb 0.40 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ukp h ALA 310 CO -0.54 0.59 -0.39 0.93 0.00 0.00 0.00 179.25 179.85 1ukp h GLU 311 N 1.21 0.85 -0.48 0.00 5.08 -1.70 -2.84 114.58 116.70 1ukp h GLU 311 Ca 0.33 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1ukp h GLU 311 Cb -0.14 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1ukp h GLU 311 CO -0.07 1.11 0.27 -0.07 -1.00 0.00 0.00 179.01 179.25 1ukp h LEU 312 N 0.63 0.60 -1.40 1.33 4.07 -0.97 -0.96 115.31 118.60 1ukp h LEU 312 Ca 0.04 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1ukp h LEU 312 Cb 0.98 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1ukp h LEU 312 CO 0.09 0.51 -0.19 0.71 -1.08 0.00 0.00 178.44 178.48 1ukp h THR 313 N 0.64 0.55 0.00 0.22 1.35 -1.43 -2.58 112.91 111.66 1ukp h THR 313 Ca 0.17 -0.92 -0.10 0.00 -0.55 0.00 0.00 66.41 65.01 1ukp h THR 313 Cb 0.04 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1ukp h THR 313 CO -0.03 0.19 -0.50 0.00 -0.25 0.00 0.00 175.52 174.93 1ukp h ALA 314 N 1.81 0.80 0.00 6.62 0.00 -1.15 -3.42 119.26 123.92 1ukp h ALA 314 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ukp h ALA 314 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ukp h ALA 314 CO 0.02 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1ukp n GLY 315 N 0.72 1.04 3.42 0.00 0.00 -0.79 -0.36 105.19 109.22 1ukp n GLY 315 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ukp n GLY 315 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ukp s TYR 316 N -2.00 3.25 -1.41 1.61 2.02 -0.43 -4.34 117.35 116.05 1ukp s TYR 316 Ca 0.00 -0.78 -0.14 0.00 -0.37 0.00 0.00 57.07 55.78 1ukp s TYR 316 Cb 0.00 -2.61 0.06 0.00 -0.40 0.00 0.00 41.96 39.02 1ukp s TYR 316 CO 0.00 -0.64 2.09 0.98 -1.57 0.00 0.00 175.55 176.41 1ukp n TYR 317 N 5.10 3.68 -4.10 2.71 -0.00 -1.26 -3.17 117.16 120.12 1ukp n TYR 317 Ca -0.11 -2.94 -0.35 0.00 -0.00 0.00 0.00 57.90 54.49 1ukp n TYR 317 Cb 0.46 -2.49 -0.13 0.00 -0.00 0.00 0.00 39.34 37.18 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 3.08 4.78 0.23 2.98 2.47 -1.26 -3.34 114.94 123.87 1ukp s ASN 318 Ca 0.47 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.54 1ukp s ASN 318 Cb 0.12 -1.81 -0.05 0.00 -1.45 0.00 0.00 41.25 38.06 1ukp s ASN 318 CO -0.05 0.07 0.11 -0.76 -3.72 0.00 0.00 177.10 172.75 1ukp s LEU 319 N 0.98 1.42 0.54 3.21 1.43 -0.55 -4.66 118.68 121.05 1ukp s LEU 319 Ca 0.01 -1.38 0.28 0.00 -1.03 0.00 0.00 54.13 52.01 1ukp s LEU 319 Cb -0.14 0.20 1.44 0.00 0.03 0.00 0.00 46.19 47.72 1ukp s LEU 319 CO 0.02 -0.78 1.96 0.78 0.23 0.00 0.00 176.35 178.55 1ukp h ASN 320 N 2.51 0.00 0.00 2.29 4.21 -1.91 -2.25 115.58 120.43 1ukp h ASN 320 Ca -0.37 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 1ukp h ASN 320 Cb 1.25 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.42 1ukp h ASN 320 CO 0.57 0.00 -0.32 -0.90 -1.29 0.00 0.00 177.43 175.49 1ukp n ASP 321 N -4.24 1.83 -3.40 5.81 5.75 -1.26 -4.96 116.55 116.10 1ukp n ASP 321 Ca 0.12 -3.32 -0.12 0.00 -0.01 0.00 0.00 54.79 51.46 1ukp n ASP 321 Cb 0.71 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 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 -2.68 0.30 -0.54 0.11 3.52 -0.85 -4.57 118.95 114.25 1ukp s ARG 322 Ca 0.33 0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 56.09 1ukp s ARG 322 Cb 0.31 -0.70 0.01 0.00 -1.56 0.00 0.00 34.95 33.00 1ukp s ARG 322 CO -0.03 -0.64 1.52 0.34 -0.81 0.00 0.00 175.30 175.68 1ukp s ASP 323 N 2.48 5.98 0.00 -2.12 -1.08 0.13 -1.49 116.67 120.57 1ukp s ASP 323 Ca 0.11 0.41 0.25 0.00 -0.52 0.00 0.00 52.55 52.80 1ukp s ASP 323 Cb -0.16 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 39.97 1ukp s ASP 323 CO -0.15 -1.80 1.81 0.61 0.52 0.00 0.00 175.17 176.16 1ukp n GLY 324 N 5.34 -0.41 0.16 2.66 0.00 -1.21 -4.14 105.19 107.59 1ukp n GLY 324 Ca 0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.31 0.00 -0.19 1.61 4.01 -1.26 -4.48 117.16 116.54 1ukp n TYR 325 Ca 0.18 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.12 1ukp n TYR 325 Cb 0.22 -0.50 0.55 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.09 0.31 -0.40 -0.72 2.43 -1.81 0.57 114.38 114.67 1ukp h ARG 326 Ca -0.30 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 1ukp h ARG 326 Cb 1.42 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 1ukp h ARG 326 CO -0.08 0.20 0.14 -1.35 -1.51 0.00 0.00 179.97 177.38 1ukp h PRO 327 N 0.32 0.57 -0.34 0.20 0.11 -1.77 -0.28 132.00 130.82 1ukp h PRO 327 Ca 0.42 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 1ukp h PRO 327 Cb 1.14 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ukp h PRO 327 CO -0.12 0.49 0.09 0.82 -0.21 0.00 0.00 178.00 179.07 1ukp h ILE 328 N 0.57 1.22 -0.55 4.15 2.04 -1.15 -1.57 117.51 122.21 1ukp h ILE 328 Ca 0.14 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1ukp h ILE 328 Cb 0.15 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1ukp h ILE 328 CO -0.01 0.25 0.35 0.00 0.00 0.00 0.00 178.15 178.73 1ukp h ALA 329 N 0.93 0.70 -0.64 1.87 0.00 -1.11 -1.39 119.26 119.63 1ukp h ALA 329 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ukp h ALA 329 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ukp h ALA 329 CO -0.00 0.09 0.38 -0.09 0.00 0.00 0.00 179.25 179.63 1ukp h ARG 330 N 0.70 0.86 -0.54 0.00 2.43 -0.83 -1.17 114.38 115.83 1ukp h ARG 330 Ca 0.21 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1ukp h ARG 330 Cb -0.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1ukp h ARG 330 CO -0.07 0.61 0.06 1.98 -1.51 0.00 0.00 179.97 181.03 1ukp h MET 331 N 0.88 0.87 0.00 0.20 4.05 -0.59 -2.49 114.93 117.86 1ukp h MET 331 Ca 0.23 -0.22 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 1ukp h MET 331 Cb -0.03 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1ukp h MET 331 CO -0.04 0.84 -0.36 -0.07 0.23 0.00 0.00 176.91 177.50 1ukp h LEU 332 N 0.82 0.00 -0.60 3.39 3.38 -0.18 -3.28 115.31 118.85 1ukp h LEU 332 Ca 0.17 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.26 1ukp h LEU 332 Cb 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1ukp h LEU 332 CO 0.01 0.36 0.01 0.28 0.09 0.00 0.00 178.44 179.19 1ukp h SER 333 N 0.00 -0.25 0.49 -0.43 0.02 -0.85 -0.97 113.55 111.56 1ukp h SER 333 Ca -0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1ukp h SER 333 Cb 0.75 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ukp h SER 333 CO 0.05 -0.10 -0.03 0.08 -1.14 0.00 0.00 176.83 175.69 1ukp h ARG 334 N 0.13 0.00 -0.02 3.45 0.11 -1.69 -1.92 114.38 114.42 1ukp h ARG 334 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1ukp h ARG 334 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1ukp h ARG 334 CO -0.50 0.03 -0.16 0.72 0.10 0.00 0.00 179.97 180.16 1ukp n HIS 335 N -3.22 0.00 -3.10 4.08 8.25 -0.44 -0.19 115.22 120.60 1ukp n HIS 335 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1ukp n HIS 335 Cb 0.20 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.32 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 0.67 -1.87 -3.24 4.41 8.25 -0.72 -4.82 115.22 117.88 1ukp n HIS 336 Ca 0.13 0.48 -0.23 0.00 -0.26 0.00 0.00 57.72 57.83 1ukp n HIS 336 Cb 0.52 -3.92 -0.00 0.00 1.12 0.00 0.00 29.99 27.71 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 -3.07 3.72 -0.02 -1.41 0.00 -1.04 -4.53 121.76 115.41 1ukp s ALA 337 Ca 0.32 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 1ukp s ALA 337 Cb -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1ukp s ALA 337 CO 0.39 -0.14 0.36 0.42 0.00 0.00 0.00 175.76 176.80 1ukp s ILE 338 N -2.40 5.11 -0.43 0.00 1.01 0.23 -4.32 121.20 120.40 1ukp s ILE 338 Ca 0.43 0.73 -0.15 0.00 0.00 0.00 0.00 60.65 61.65 1ukp s ILE 338 Cb -0.10 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1ukp s ILE 338 CO 0.37 0.58 0.33 -0.22 0.00 0.00 0.00 174.94 176.00 1ukp s LEU 339 N -1.08 5.25 -0.34 2.97 0.20 -0.68 -2.05 118.68 122.95 1ukp s LEU 339 Ca 0.22 -1.02 -0.18 0.00 0.69 0.00 0.00 54.13 53.84 1ukp s LEU 339 Cb -0.16 -2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 43.43 1ukp s LEU 339 CO 0.12 -0.50 0.52 0.21 -0.29 0.00 0.00 176.35 176.40 1ukp s ASN 340 N 1.93 6.33 0.00 3.68 3.04 -0.43 -1.01 114.94 128.48 1ukp s ASN 340 Ca 0.05 0.01 0.00 0.00 0.04 0.00 0.00 52.86 52.96 1ukp s ASN 340 Cb -0.20 -2.27 0.00 0.00 -1.54 0.00 0.00 41.25 37.23 1ukp s ASN 340 CO 0.09 -0.47 0.00 0.33 -3.04 0.00 0.00 177.10 174.01 1ukp n PHE 341 N 5.74 -0.41 -2.46 0.43 7.35 0.36 -1.09 117.46 127.37 1ukp n PHE 341 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1ukp n PHE 341 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1ukp n PHE 341 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ukp n THR 342 N -0.14 0.00 -1.75 -2.13 5.66 -1.26 -1.37 114.28 113.29 1ukp n THR 342 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1ukp n THR 342 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1ukp n THR 342 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ukp h LEU 344 N 0.00 0.00 -0.69 0.00 4.07 -1.81 -2.74 115.31 114.15 1ukp h LEU 344 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1ukp h LEU 344 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1ukp h LEU 344 CO 0.61 0.00 -0.60 -1.84 -1.08 0.00 0.00 178.44 175.53 1ukp n GLU 345 N -2.99 1.02 -3.03 1.13 0.00 -1.26 -2.82 120.64 112.70 1ukp n GLU 345 Ca -0.01 -0.68 -0.37 0.00 0.00 0.00 0.00 57.16 56.11 1ukp n GLU 345 Cb 0.17 -1.44 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 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 -2.53 4.34 -0.01 3.44 -1.94 -1.03 -4.73 119.30 116.85 1ukp s MET 346 Ca 0.14 0.98 0.07 0.00 -1.71 0.00 0.00 55.69 55.18 1ukp s MET 346 Cb 0.17 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 1ukp s MET 346 CO 0.63 0.38 -0.22 1.03 -0.01 0.00 0.00 175.02 176.82 1ukp s ARG 347 N -1.94 1.76 0.43 2.03 0.52 -1.26 -4.42 118.95 116.07 1ukp s ARG 347 Ca 0.44 -0.83 0.17 0.00 -0.52 0.00 0.00 55.73 54.99 1ukp s ARG 347 Cb -0.17 -1.73 1.09 0.00 0.52 0.00 0.00 34.95 34.66 1ukp s ARG 347 CO 0.22 0.47 1.89 -0.44 0.02 0.00 0.00 175.30 177.46 1ukp h ASP 348 N 5.45 0.37 0.54 0.23 5.19 -1.96 -0.02 116.42 126.21 1ukp h ASP 348 Ca -0.41 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1ukp h ASP 348 Cb 1.14 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1ukp h ASP 348 CO 0.47 0.17 0.00 0.77 -3.12 0.00 0.00 179.24 177.53 1ukp h SER 349 N 0.38 0.00 0.33 6.45 4.64 -1.95 -2.48 113.55 120.91 1ukp h SER 349 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1ukp h SER 349 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ukp h SER 349 CO -0.13 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.09 1ukp n GLU 350 N -3.02 0.74 -4.13 4.77 1.02 -0.02 -4.86 120.64 115.14 1ukp n GLU 350 Ca -0.01 -0.27 -0.34 0.00 -0.02 0.00 0.00 57.16 56.52 1ukp n GLU 350 Cb 0.19 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.44 3.08 0.28 3.49 -1.52 -0.94 -5.04 119.66 116.57 1ukp s GLN 351 Ca 0.29 -0.44 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 1ukp s GLN 351 Cb 0.20 -2.88 -0.11 0.00 -0.22 0.00 0.00 33.01 30.01 1ukp s GLN 351 CO 0.47 0.67 1.51 -1.25 -0.25 0.00 0.00 175.29 176.44 1ukp s PRO 352 N -1.51 4.19 0.46 2.91 0.04 -1.26 -4.88 135.00 134.95 1ukp s PRO 352 Ca 0.20 2.45 0.21 0.00 0.04 0.00 0.00 61.00 63.91 1ukp s PRO 352 Cb -0.12 -3.06 1.20 0.00 0.04 0.00 0.00 34.50 32.57 1ukp s PRO 352 CO 0.11 -0.52 1.89 0.77 0.04 0.00 0.00 177.00 179.29 1ukp h SER 353 N 4.71 0.27 0.45 6.66 0.02 -1.96 -0.08 113.55 123.61 1ukp h SER 353 Ca -0.47 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 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 0.77 0.11 0.00 -0.90 -1.14 0.00 0.00 176.83 175.67 1ukp n ASP 354 N -4.44 0.52 0.06 3.07 5.75 -1.26 -2.06 116.55 118.20 1ukp n ASP 354 Ca 0.17 0.67 0.12 0.00 -0.01 0.00 0.00 54.79 55.74 1ukp n ASP 354 Cb 0.72 -0.76 0.24 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.73 2.82 -4.04 2.12 0.00 -0.04 -4.94 120.51 114.70 1ukp n ALA 355 Ca 0.01 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 1ukp n ALA 355 Cb 0.15 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.07 -4.17 -3.01 0.00 4.76 -0.87 -1.50 118.16 111.29 1ukp n LYS 356 Ca 0.04 0.48 -0.40 0.00 -2.87 0.00 0.00 58.31 55.56 1ukp n LYS 356 Cb 0.43 -5.16 -0.05 0.00 -1.84 0.00 0.00 35.03 28.40 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 -3.54 7.26 -0.38 4.39 0.15 -1.26 -1.52 113.70 118.80 1ukp s SER 357 Ca 0.55 1.50 0.12 0.00 0.70 0.00 0.00 55.95 58.82 1ukp s SER 357 Cb -0.29 -2.47 0.37 0.00 -1.71 0.00 0.00 66.02 61.92 1ukp s SER 357 CO 0.88 0.11 0.79 0.61 1.20 0.00 0.00 173.24 176.83 1ukp n GLY 358 N 2.04 3.43 0.37 9.45 0.00 -0.80 -4.84 105.19 114.84 1ukp n GLY 358 Ca -0.04 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1ukp n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ukp h PRO 359 N 2.99 0.73 0.01 1.61 0.13 -1.91 -1.04 132.00 134.52 1ukp h PRO 359 Ca 0.07 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ukp h PRO 359 Cb 0.97 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ukp h PRO 359 CO 0.53 0.48 -0.00 1.96 -0.23 0.00 0.00 178.00 180.74 1ukp h GLN 360 N 0.75 -0.01 -0.40 0.86 4.20 -1.89 -0.92 115.11 117.70 1ukp h GLN 360 Ca 0.45 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.09 1ukp h GLN 360 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1ukp h GLN 360 CO -0.21 0.11 -0.05 0.93 -0.67 0.00 0.00 178.83 178.94 1ukp h GLU 361 N -0.13 0.67 -0.11 1.46 3.07 -1.84 -2.47 114.58 115.24 1ukp h GLU 361 Ca -0.00 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 1ukp h GLU 361 Cb 0.13 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1ukp h GLU 361 CO 0.00 0.73 0.03 1.25 -1.40 0.00 0.00 179.01 179.62 1ukp h LEU 362 N 0.63 0.17 -0.49 1.33 5.85 -1.01 -1.38 115.31 120.41 1ukp h LEU 362 Ca 0.12 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1ukp h LEU 362 Cb 0.47 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1ukp h LEU 362 CO 0.02 0.34 0.25 0.58 -0.34 0.00 0.00 178.44 179.30 1ukp h VAL 363 N -0.01 0.96 -0.98 1.05 2.07 -1.08 -0.95 116.25 117.32 1ukp h VAL 363 Ca 0.04 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1ukp h VAL 363 Cb 0.24 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1ukp h VAL 363 CO -0.00 0.09 0.64 1.56 0.02 0.00 0.00 177.57 179.88 1ukp h GLN 364 N 0.49 1.22 0.04 1.57 4.20 -1.29 0.10 115.11 121.43 1ukp h GLN 364 Ca 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ukp h GLN 364 Cb 0.12 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1ukp h GLN 364 CO -0.15 0.81 -0.02 0.37 -0.67 0.00 0.00 178.83 179.17 1ukp h GLN 365 N 1.26 -0.05 -0.15 1.46 4.15 -0.59 -1.82 115.11 119.37 1ukp h GLN 365 Ca 0.39 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.81 1ukp h GLN 365 Cb -0.03 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1ukp h GLN 365 CO -0.12 0.31 0.08 0.28 -1.93 0.00 0.00 178.83 177.45 1ukp h VAL 366 N -0.41 1.11 -0.43 2.39 2.07 -0.97 -0.46 116.25 119.55 1ukp h VAL 366 Ca -0.01 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ukp h VAL 366 Cb 0.38 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ukp h VAL 366 CO 0.01 0.10 0.16 -0.07 0.02 0.00 0.00 177.57 177.79 1ukp h LEU 367 N 0.13 0.61 -0.51 2.57 4.07 -1.06 -1.63 115.31 119.48 1ukp h LEU 367 Ca 0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 1ukp h LEU 367 Cb 0.10 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1ukp h LEU 367 CO -0.01 0.62 0.31 0.28 -1.08 0.00 0.00 178.44 178.56 1ukp h SER 368 N 0.56 0.61 -0.36 -0.43 0.02 -1.22 -1.15 113.55 111.58 1ukp h SER 368 Ca 0.14 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ukp h SER 368 Cb 0.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1ukp h SER 368 CO -0.01 0.49 0.23 1.23 -1.14 0.00 0.00 176.83 177.63 1ukp h GLY 369 N 0.69 0.51 0.76 -3.77 0.00 -0.93 -0.92 103.07 99.41 1ukp h GLY 369 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1ukp h GLY 369 CO -0.03 0.19 0.09 -1.33 0.00 0.00 0.00 176.54 175.45 1ukp h GLY 370 N 0.48 0.33 2.00 4.60 0.00 -0.95 -2.10 103.07 107.43 1ukp h GLY 370 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1ukp h GLY 370 CO -0.03 0.02 -0.26 1.49 0.00 0.00 0.00 176.54 177.77 1ukp h TRP 371 N 0.21 0.00 -0.03 5.60 6.55 -0.99 -1.85 115.95 125.44 1ukp h TRP 371 Ca 0.12 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.86 1ukp h TRP 371 Cb 0.09 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 1ukp h TRP 371 CO -0.13 0.26 -0.44 0.00 -1.05 0.00 0.00 178.44 177.08 1ukp h ARG 372 N 0.00 0.07 -0.28 0.49 2.47 -0.57 -2.06 114.38 114.50 1ukp h ARG 372 Ca -0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1ukp h ARG 372 Cb 0.48 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1ukp h ARG 372 CO 0.03 0.50 0.00 0.39 0.56 0.00 0.00 179.97 181.45 1ukp n GLU 373 N -4.01 1.82 -3.57 0.04 -0.58 -0.75 -4.95 120.64 108.65 1ukp n GLU 373 Ca -0.02 -1.26 -0.22 0.00 -0.42 0.00 0.00 57.16 55.24 1ukp n GLU 373 Cb 0.47 -1.35 0.08 0.00 -0.57 0.00 0.00 31.44 30.08 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 0.49 -2.70 -4.47 -0.32 4.01 -0.77 -4.91 117.16 108.49 1ukp n TYR 374 Ca 0.14 1.00 -0.26 0.00 -0.16 0.00 0.00 57.90 58.62 1ukp n TYR 374 Cb 0.33 -5.03 -0.10 0.00 -0.31 0.00 0.00 39.34 34.23 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 -3.33 2.33 0.22 -0.72 -4.36 -0.90 -5.03 121.20 109.40 1ukp s ILE 375 Ca 0.44 -2.07 -0.22 0.00 -0.26 0.00 0.00 60.65 58.54 1ukp s ILE 375 Cb -0.20 -2.77 -0.08 0.00 1.25 0.00 0.00 42.46 40.66 1ukp s ILE 375 CO 0.73 -0.16 0.77 -0.13 0.24 0.00 0.00 174.94 176.40 1ukp s ARG 376 N -3.68 4.40 -0.09 0.37 0.52 -1.26 -4.36 118.95 114.85 1ukp s ARG 376 Ca 0.34 1.03 0.02 0.00 -0.52 0.00 0.00 55.73 56.59 1ukp s ARG 376 Cb 0.03 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.54 1ukp s ARG 376 CO 0.18 0.43 -0.13 0.08 0.02 0.00 0.00 175.30 175.87 1ukp s VAL 377 N -1.43 1.31 0.49 3.52 1.01 -1.26 -1.68 120.40 122.35 1ukp s VAL 377 Ca 0.42 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1ukp s VAL 377 Cb -0.19 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1ukp s VAL 377 CO 0.23 0.40 0.01 0.00 0.00 0.00 0.00 175.10 175.74 1ukp s ALA 378 N 0.95 3.88 0.13 5.51 0.00 -0.18 -0.33 121.76 131.72 1ukp s ALA 378 Ca -0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 50.74 1ukp s ALA 378 Cb -0.15 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1ukp s ALA 378 CO -0.00 -0.05 1.02 0.20 0.00 0.00 0.00 175.76 176.93 1ukp s GLY 379 N -3.84 -0.24 0.26 0.00 0.00 -1.09 -0.49 107.32 101.92 1ukp s GLY 379 Ca 0.13 0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1ukp s GLY 379 CO 0.07 0.12 0.07 -0.54 0.00 0.00 0.00 173.10 172.82 1ukp s GLU 380 N -3.10 1.43 0.19 2.90 2.02 -0.47 -1.30 118.70 120.36 1ukp s GLU 380 Ca 0.13 -1.76 -0.19 0.00 0.02 0.00 0.00 54.97 53.16 1ukp s GLU 380 Cb -0.00 -0.43 -0.08 0.00 0.10 0.00 0.00 34.13 33.72 1ukp s GLU 380 CO 0.02 -0.24 0.68 0.54 0.02 0.00 0.00 175.26 176.28 1ukp s ASN 381 N -3.34 7.04 -0.03 -0.19 4.22 -1.25 -2.32 114.94 119.08 1ukp s ASN 381 Ca 0.35 1.36 -0.24 0.00 -2.14 0.00 0.00 52.86 52.20 1ukp s ASN 381 Cb 0.08 -2.40 -0.21 0.00 1.28 0.00 0.00 41.25 40.00 1ukp s ASN 381 CO 0.13 0.08 1.12 0.00 -2.04 0.00 0.00 177.10 176.39 1ukp h ALA 382 N 3.62 0.07 -3.05 3.54 0.00 -1.90 -3.44 119.26 118.10 1ukp h ALA 382 Ca -0.48 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.44 1ukp h ALA 382 Cb 1.20 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1ukp h ALA 382 CO 0.65 0.06 -0.80 -0.51 0.00 0.00 0.00 179.25 178.66 1ukp s LEU 383 N -8.70 2.43 0.05 0.00 1.43 -1.26 -4.99 118.68 107.64 1ukp s LEU 383 Ca -0.15 -0.85 -0.34 0.00 -1.03 0.00 0.00 54.13 51.75 1ukp s LEU 383 Cb 0.02 -0.94 -0.13 0.00 0.03 0.00 0.00 46.19 45.17 1ukp s LEU 383 CO 0.74 0.02 1.70 -2.65 0.23 0.00 0.00 176.35 176.39 1ukp n PRO 384 N 0.34 2.15 -3.86 1.29 -0.02 -1.26 -4.98 135.00 128.66 1ukp n PRO 384 Ca -0.13 0.78 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1ukp n PRO 384 Cb 0.56 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.24 0.18 0.00 -0.52 1.81 -1.26 -5.03 118.95 116.36 1ukp s ARG 385 Ca 0.85 -0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.83 1ukp s ARG 385 Cb -0.69 0.08 0.00 0.00 -0.45 0.00 0.00 34.95 33.89 1ukp s ARG 385 CO 0.44 -0.03 0.20 0.66 -0.68 0.00 0.00 175.30 175.89 1ukp n TYR 386 N 2.67 0.00 -3.09 -0.53 4.01 -1.26 -5.02 117.16 113.95 1ukp n TYR 386 Ca -0.15 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.27 1ukp n TYR 386 Cb 0.58 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.56 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 -0.18 6.71 0.29 7.72 -4.77 -1.26 -4.85 116.67 120.33 1ukp s ASP 387 Ca 0.00 1.23 -0.01 0.00 -3.30 0.00 0.00 52.55 50.48 1ukp s ASP 387 Cb 0.00 -2.36 0.48 0.00 -1.09 0.00 0.00 42.92 39.95 1ukp s ASP 387 CO 0.00 -0.24 1.91 0.00 0.70 0.00 0.00 175.17 177.54 1ukp h ALA 388 N 2.04 1.47 -0.73 2.11 0.00 -1.98 -2.29 119.26 119.88 1ukp h ALA 388 Ca -0.48 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1ukp h ALA 388 Cb 1.18 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1ukp h ALA 388 CO 0.65 0.41 0.39 1.15 0.00 0.00 0.00 179.25 181.85 1ukp h THR 389 N 1.09 0.89 -0.53 0.00 2.02 -2.00 -0.51 112.91 113.87 1ukp h THR 389 Ca 0.39 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 67.22 1ukp h THR 389 Cb 0.13 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1ukp h THR 389 CO -0.14 0.12 -0.12 0.00 0.37 0.00 0.00 175.52 175.75 1ukp h ALA 390 N 1.42 0.77 -0.38 6.16 0.00 -1.71 -2.84 119.26 122.68 1ukp h ALA 390 Ca 0.35 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ukp h ALA 390 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ukp h ALA 390 CO -0.25 0.67 -0.18 1.88 0.00 0.00 0.00 179.25 181.37 1ukp h TYR 391 N 0.90 0.81 -0.62 0.00 0.05 -1.12 -2.47 116.97 114.51 1ukp h TYR 391 Ca 0.14 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1ukp h TYR 391 Cb 0.69 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 1ukp h TYR 391 CO 0.05 0.85 0.16 -0.91 -1.05 0.00 0.00 178.16 177.25 1ukp h ASN 392 N 0.64 0.91 -0.58 3.88 2.35 -1.02 -1.24 115.58 120.52 1ukp h ASN 392 Ca 0.10 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1ukp h ASN 392 Cb 0.67 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1ukp h ASN 392 CO 0.05 0.88 -0.05 -0.61 -1.65 0.00 0.00 177.43 176.05 1ukp h GLN 393 N 0.93 1.06 0.09 0.81 5.75 -1.31 -0.68 115.11 121.76 1ukp h GLN 393 Ca 0.20 -0.36 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1ukp h GLN 393 Cb 0.32 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1ukp h GLN 393 CO -0.00 1.06 -0.05 0.82 -2.65 0.00 0.00 178.83 178.01 1ukp h ILE 394 N 0.95 0.94 -0.97 2.39 2.04 -1.05 -1.69 117.51 120.12 1ukp h ILE 394 Ca 0.16 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1ukp h ILE 394 Cb 0.62 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 1ukp h ILE 394 CO 0.04 0.03 0.62 0.40 0.00 0.00 0.00 178.15 179.25 1ukp h ILE 395 N -0.19 1.03 -0.19 -0.67 2.04 -1.10 0.11 117.51 118.54 1ukp h ILE 395 Ca -0.01 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1ukp h ILE 395 Cb 0.15 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1ukp h ILE 395 CO 0.02 0.19 0.10 0.25 0.00 0.00 0.00 178.15 178.72 1ukp h LEU 396 N 1.06 0.16 -1.33 1.44 5.85 -0.77 -2.39 115.31 119.34 1ukp h LEU 396 Ca 0.44 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.10 1ukp h LEU 396 Cb 0.28 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1ukp h LEU 396 CO -0.19 0.12 -0.28 0.78 -0.34 0.00 0.00 178.44 178.54 1ukp h ASN 397 N 0.22 0.00 0.47 1.25 2.35 -0.29 -1.47 115.58 118.11 1ukp h ASN 397 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 1ukp h ASN 397 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ukp h ASN 397 CO -0.04 0.28 -0.49 0.00 -1.65 0.00 0.00 177.43 175.52 1ukp h ALA 398 N 1.72 1.16 -1.95 -0.83 0.00 -0.35 -3.35 119.26 115.66 1ukp h ALA 398 Ca -0.00 -0.45 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 1ukp h ALA 398 Cb 0.65 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.01 1ukp h ALA 398 CO 0.04 0.62 -0.94 0.54 0.00 0.00 0.00 179.25 179.51 1ukp n ARG 399 N -3.95 0.43 -0.33 0.00 1.74 -0.98 -0.81 116.66 112.76 1ukp n ARG 399 Ca -0.02 -2.98 0.25 0.00 -0.77 0.00 0.00 57.85 54.34 1ukp n ARG 399 Cb 0.51 -1.48 0.49 0.00 -1.02 0.00 0.00 32.46 30.96 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 4.92 0.14 -0.46 5.56 0.11 -1.41 0.30 132.00 141.16 1ukp h PRO 400 Ca 0.16 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 1ukp h PRO 400 Cb 0.93 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1ukp h PRO 400 CO 0.36 0.09 0.04 1.04 -0.21 0.00 0.00 178.00 179.33 1ukp n GLN 401 N -5.20 3.71 0.00 1.05 6.02 -1.26 -1.63 117.38 120.07 1ukp n GLN 401 Ca 0.33 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 1ukp n GLN 401 Cb 1.06 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.09 -1.54 3.82 1.08 0.00 0.10 -4.88 105.19 103.68 1ukp n GLY 402 Ca 0.28 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 4.22 -0.19 1.61 1.01 -1.26 -4.59 120.40 121.19 1ukp s VAL 403 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 1ukp s VAL 403 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1ukp s VAL 403 CO 0.00 -0.50 -0.13 0.21 0.00 0.00 0.00 175.10 174.68 1ukp s ASN 404 N -2.64 3.65 0.23 3.32 2.47 -1.26 -4.96 114.94 115.75 1ukp s ASN 404 Ca 0.62 -0.53 0.23 0.00 0.42 0.00 0.00 52.86 53.60 1ukp s ASN 404 Cb -0.12 -1.59 0.94 0.00 -1.45 0.00 0.00 41.25 39.03 1ukp s ASN 404 CO 0.27 -0.00 1.71 0.59 -3.72 0.00 0.00 177.10 175.94 1ukp n ASN 405 N 4.65 0.64 -2.55 -4.21 3.02 -1.26 -3.75 115.26 111.80 1ukp n ASN 405 Ca -0.20 0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 54.80 1ukp n ASN 405 Cb 0.50 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1ukp n ASN 405 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ukp n ASN 406 N -2.19 3.42 0.00 6.41 5.03 -1.26 -4.40 115.26 122.27 1ukp n ASN 406 Ca 0.03 -3.32 0.00 0.00 0.87 0.00 0.00 54.58 52.15 1ukp n ASN 406 Cb 0.25 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 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 -0.31 0.99 3.75 7.41 0.00 -1.25 -4.97 105.19 110.81 1ukp n GLY 407 Ca 0.27 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.32 2.37 0.56 1.61 0.04 -1.26 -4.43 135.00 132.58 1ukp s PRO 408 Ca 0.00 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 1ukp s PRO 408 Cb 0.00 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1ukp s PRO 408 CO 0.00 -1.60 1.14 -0.35 0.04 0.00 0.00 177.00 176.23 1ukp n PRO 409 N -2.79 1.25 -0.11 0.56 -0.04 -1.26 -4.74 135.00 127.87 1ukp n PRO 409 Ca 0.11 0.47 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 1ukp n PRO 409 Cb 0.51 -2.32 0.40 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.96 0.62 -3.37 0.54 6.56 -1.91 -3.41 116.57 116.56 1ukp h LYS 410 Ca -0.49 -0.04 -0.20 0.00 -1.06 0.00 0.00 60.65 58.87 1ukp h LYS 410 Cb 1.34 -0.14 -0.27 0.00 -0.57 0.00 0.00 32.23 32.59 1ukp h LYS 410 CO 0.54 0.41 -0.56 -0.51 -2.06 0.00 0.00 179.45 177.27 1ukp s LEU 411 N -9.57 1.37 -0.16 2.94 1.43 -1.26 -5.08 118.68 108.35 1ukp s LEU 411 Ca -0.09 0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1ukp s LEU 411 Cb 0.19 0.48 0.10 0.00 0.03 0.00 0.00 46.19 46.98 1ukp s LEU 411 CO 0.76 -0.06 0.84 -0.94 0.23 0.00 0.00 176.35 177.17 1ukp s SER 412 N 0.20 -0.56 0.57 2.29 1.04 -1.26 -4.12 113.70 111.85 1ukp s SER 412 Ca -0.01 0.79 -0.15 0.00 0.48 0.00 0.00 55.95 57.06 1ukp s SER 412 Cb -0.02 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.74 1ukp s SER 412 CO -0.01 -0.39 1.02 -0.04 0.98 0.00 0.00 173.24 174.80 1ukp s MET 413 N -0.64 3.65 0.31 4.02 -1.94 0.01 -4.82 119.30 119.90 1ukp s MET 413 Ca -0.04 0.98 0.15 0.00 -1.71 0.00 0.00 55.69 55.07 1ukp s MET 413 Cb -0.02 -2.09 0.41 0.00 2.01 0.00 0.00 34.83 35.14 1ukp s MET 413 CO 0.03 -0.52 1.61 0.35 -0.01 0.00 0.00 175.02 176.48 1ukp h PHE 414 N 0.45 0.00 -1.23 -0.03 3.57 -1.02 -3.48 116.94 115.20 1ukp h PHE 414 Ca -0.46 0.00 0.38 0.00 3.53 0.00 0.00 57.97 61.42 1ukp h PHE 414 Cb 1.20 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.81 1ukp h PHE 414 CO 0.63 0.51 0.95 0.20 -2.23 0.00 0.00 178.31 178.37 1ukp s GLY 415 N -4.43 -0.45 -0.03 2.40 0.00 -1.26 -4.50 107.32 99.04 1ukp s GLY 415 Ca 0.01 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.54 1ukp s GLY 415 CO 0.72 0.79 0.01 0.14 0.00 0.00 0.00 173.10 174.76 1ukp s VAL 416 N -2.12 0.15 -0.22 1.40 1.01 -0.95 -2.67 120.40 117.01 1ukp s VAL 416 Ca 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1ukp s VAL 416 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1ukp s VAL 416 CO -0.06 0.14 -0.06 -0.89 0.00 0.00 0.00 175.10 174.24 1ukp s THR 417 N 1.10 3.25 -0.07 3.92 2.01 -0.42 -0.88 115.64 124.56 1ukp s THR 417 Ca -0.09 -0.54 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 1ukp s THR 417 Cb -0.13 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1ukp s THR 417 CO -0.02 0.43 0.68 -0.47 -0.69 0.00 0.00 174.62 174.55 1ukp s TYR 418 N 1.46 3.58 -0.25 4.92 5.04 0.45 -3.85 117.35 128.69 1ukp s TYR 418 Ca 0.06 1.21 -0.09 0.00 -2.44 0.00 0.00 57.07 55.81 1ukp s TYR 418 Cb -0.14 -2.77 -0.04 0.00 0.35 0.00 0.00 41.96 39.35 1ukp s TYR 418 CO -0.04 0.10 0.12 -1.17 -1.34 0.00 0.00 175.55 173.22 1ukp s LEU 419 N 0.75 3.74 0.11 6.97 0.20 -1.26 -1.51 118.68 127.68 1ukp s LEU 419 Ca 0.36 -0.08 -0.16 0.00 0.69 0.00 0.00 54.13 54.94 1ukp s LEU 419 Cb -0.17 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1ukp s LEU 419 CO 0.17 -0.01 0.38 -0.60 -0.29 0.00 0.00 176.35 176.01 1ukp s ARG 420 N 1.50 1.02 0.17 1.98 3.52 -1.26 -4.55 118.95 121.33 1ukp s ARG 420 Ca 0.06 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 1ukp s ARG 420 Cb -0.15 0.45 -0.09 0.00 -1.56 0.00 0.00 34.95 33.59 1ukp s ARG 420 CO 0.06 -0.39 1.46 -1.17 -0.81 0.00 0.00 175.30 174.46 1ukp s LEU 421 N -2.66 4.38 0.17 -0.88 2.96 0.79 -4.87 118.68 118.58 1ukp s LEU 421 Ca 0.02 2.52 -0.24 0.00 -0.22 0.00 0.00 54.13 56.21 1ukp s LEU 421 Cb 0.02 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.16 1ukp s LEU 421 CO -0.10 -0.72 0.87 -0.94 -1.32 0.00 0.00 176.35 174.14 1ukp s SER 422 N 0.87 -0.24 0.49 3.68 1.04 -1.26 -3.93 113.70 114.36 1ukp s SER 422 Ca 0.65 -0.40 0.26 0.00 0.48 0.00 0.00 55.95 56.93 1ukp s SER 422 Cb -0.41 0.55 1.28 0.00 0.10 0.00 0.00 66.02 67.54 1ukp s SER 422 CO 0.34 -1.00 1.99 0.44 0.98 0.00 0.00 173.24 175.99 1ukp h ASP 423 N 2.00 0.00 -0.32 7.02 3.32 -1.99 -2.50 116.42 123.95 1ukp h ASP 423 Ca -0.23 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 1ukp h ASP 423 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1ukp h ASP 423 CO 0.26 0.16 -0.08 0.44 -1.72 0.00 0.00 179.24 178.30 1ukp h ASP 424 N 0.00 0.71 0.00 6.45 3.45 -1.96 -2.13 116.42 122.94 1ukp h ASP 424 Ca -0.00 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.20 1ukp h ASP 424 Cb 0.46 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1ukp h ASP 424 CO 0.02 0.83 -0.15 0.25 -1.57 0.00 0.00 179.24 178.63 1ukp h LEU 425 N 0.67 0.28 -0.01 1.55 5.85 -1.78 -2.66 115.31 119.21 1ukp h LEU 425 Ca 0.12 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ukp h LEU 425 Cb 0.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ukp h LEU 425 CO 0.03 0.46 -0.02 0.18 -0.34 0.00 0.00 178.44 178.74 1ukp n LEU 426 N -4.24 0.03 -4.68 2.25 4.32 -0.83 -2.04 117.00 111.80 1ukp n LEU 426 Ca -0.00 0.40 -0.38 0.00 -0.02 0.00 0.00 56.01 56.01 1ukp n LEU 426 Cb 0.29 -0.41 0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1ukp n LEU 426 CO 0.39 0.01 0.77 0.00 -1.22 0.00 0.00 177.39 177.33 1ukp n GLN 427 N -1.42 1.14 -0.12 3.23 6.02 -1.00 -4.64 117.38 120.59 1ukp n GLN 427 Ca 0.09 0.44 -0.08 0.00 -0.01 0.00 0.00 57.00 57.44 1ukp n GLN 427 Cb 0.31 -2.38 -0.02 0.00 1.02 0.00 0.00 30.24 29.16 1ukp n GLN 427 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ukp h LYS 428 N 0.70 -0.26 0.54 -1.09 3.64 -1.90 0.13 116.57 118.33 1ukp h LYS 428 Ca -0.50 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1ukp h LYS 428 Cb 1.34 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1ukp h LYS 428 CO 0.53 -0.17 -0.26 0.77 -2.27 0.00 0.00 179.45 178.05 1ukp h SER 429 N -0.27 -0.61 -0.28 4.20 0.02 -1.94 -1.75 113.55 112.92 1ukp h SER 429 Ca 0.17 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1ukp h SER 429 Cb 0.55 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1ukp h SER 429 CO -0.55 -0.41 0.07 0.78 -1.14 0.00 0.00 176.83 175.57 1ukp h ASN 430 N -0.76 0.04 -0.40 3.07 2.35 -1.79 -2.82 115.58 115.27 1ukp h ASN 430 Ca -0.07 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1ukp h ASN 430 Cb 0.57 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1ukp h ASN 430 CO 0.12 0.06 0.14 0.15 -1.65 0.00 0.00 177.43 176.25 1ukp h PHE 431 N 0.18 0.68 -0.15 1.19 3.57 -0.13 -1.65 116.94 120.62 1ukp h PHE 431 Ca 0.13 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1ukp h PHE 431 Cb 0.13 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1ukp h PHE 431 CO -0.16 0.56 -0.28 -0.91 -2.23 0.00 0.00 178.31 175.29 1ukp h ASN 432 N 0.66 0.28 0.10 0.41 2.35 -1.07 -0.17 115.58 118.14 1ukp h ASN 432 Ca 0.15 -0.09 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 1ukp h ASN 432 Cb 0.20 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1ukp h ASN 432 CO -0.01 0.56 -0.96 0.40 -1.65 0.00 0.00 177.43 175.78 1ukp h ILE 433 N 0.25 1.32 -0.85 2.81 2.04 -1.28 -3.09 117.51 118.70 1ukp h ILE 433 Ca 0.04 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.62 1ukp h ILE 433 Cb 0.63 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 1ukp h ILE 433 CO 0.05 0.69 0.47 0.15 0.00 0.00 0.00 178.15 179.51 1ukp h PHE 434 N 0.36 1.17 -0.55 1.37 3.57 -0.96 -1.75 116.94 120.15 1ukp h PHE 434 Ca -0.10 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1ukp h PHE 434 Cb 1.59 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1ukp h PHE 434 CO 0.08 0.81 0.30 0.87 -2.23 0.00 0.00 178.31 178.14 1ukp h LYS 435 N 1.19 0.75 -0.14 1.11 1.57 -1.02 -0.89 116.57 119.13 1ukp h LYS 435 Ca 0.30 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1ukp h LYS 435 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1ukp h LYS 435 CO -0.05 0.55 -0.51 0.87 -0.57 0.00 0.00 179.45 179.74 1ukp h LYS 436 N 0.76 0.37 -0.34 3.15 1.57 -1.29 -1.94 116.57 118.85 1ukp h LYS 436 Ca 0.20 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1ukp h LYS 436 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ukp h LYS 436 CO -0.03 0.80 0.10 0.35 -0.57 0.00 0.00 179.45 180.09 1ukp h PHE 437 N 0.29 0.56 -0.37 -1.35 3.57 -0.48 -1.60 116.94 117.56 1ukp h PHE 437 Ca 0.01 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ukp h PHE 437 Cb 1.00 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1ukp h PHE 437 CO 0.03 0.56 0.24 0.28 -2.23 0.00 0.00 178.31 177.18 1ukp h VAL 438 N 0.39 1.09 -0.43 1.41 2.07 -1.02 -1.17 116.25 118.59 1ukp h VAL 438 Ca 0.11 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1ukp h VAL 438 Cb 0.27 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1ukp h VAL 438 CO -0.00 0.09 0.18 0.25 0.02 0.00 0.00 177.57 178.11 1ukp h LEU 439 N 0.49 0.22 -0.91 2.57 5.85 -1.16 -1.45 115.31 120.91 1ukp h LEU 439 Ca 0.14 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1ukp h LEU 439 Cb -0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1ukp h LEU 439 CO -0.03 0.17 -0.13 0.11 -0.34 0.00 0.00 178.44 178.21 1ukp h LYS 440 N 0.37 0.65 -0.09 1.25 1.79 -1.03 0.21 116.57 119.73 1ukp h LYS 440 Ca 0.19 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1ukp h LYS 440 Cb 0.15 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1ukp h LYS 440 CO -0.17 0.76 -0.22 0.52 -1.08 0.00 0.00 179.45 179.27 1ukp h MET 441 N 0.60 0.15 -0.44 3.15 2.86 -0.82 -1.01 114.93 119.41 1ukp h MET 441 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ukp h MET 441 Cb 0.57 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1ukp h MET 441 CO 0.04 0.37 0.00 0.72 1.06 0.00 0.00 176.91 179.09 1ukp n HIS 442 N -4.22 0.45 -3.71 -0.22 8.25 -0.58 -1.13 115.22 114.05 1ukp n HIS 442 Ca -0.01 -0.19 -0.25 0.00 -0.26 0.00 0.00 57.72 57.01 1ukp n HIS 442 Cb 0.31 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.40 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 0.22 -1.56 -0.96 -1.41 0.00 -0.38 -1.69 120.51 114.73 1ukp n ALA 443 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ukp n ALA 443 Cb 0.32 -3.94 0.00 0.00 0.00 0.00 0.00 19.45 15.83 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 -2.98 -4.32 -4.96 0.00 8.00 -0.01 -4.85 116.55 107.44 1ukp n ASP 444 Ca -0.09 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.19 1ukp n ASP 444 Cb 0.59 -2.30 -0.01 0.00 -0.02 0.00 0.00 41.12 39.37 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 -1.19 3.39 0.69 -1.24 -1.52 -0.68 -5.03 119.66 114.08 1ukp s GLN 445 Ca 0.00 -0.57 -0.11 0.00 -1.95 0.00 0.00 55.36 52.72 1ukp s GLN 445 Cb 0.00 -2.75 0.00 0.00 -0.22 0.00 0.00 33.01 30.04 1ukp s GLN 445 CO 0.00 0.20 1.08 -0.51 -0.25 0.00 0.00 175.29 175.81 1ukp s ASP 446 N -4.05 5.57 0.25 5.90 -0.00 -1.26 -4.78 116.67 118.30 1ukp s ASP 446 Ca 0.39 1.25 -0.30 0.00 -0.00 0.00 0.00 52.55 53.90 1ukp s ASP 446 Cb -0.09 -2.12 -0.15 0.00 -0.00 0.00 0.00 42.92 40.56 1ukp s ASP 446 CO 0.33 -1.27 1.05 0.00 -0.00 0.00 0.00 175.17 175.28 1ukp n TYR 447 N -2.98 1.25 -3.98 4.23 9.36 -1.26 -4.97 117.16 118.80 1ukp n TYR 447 Ca 0.07 0.70 -0.29 0.00 3.32 0.00 0.00 57.90 61.69 1ukp n TYR 447 Cb 0.56 -2.26 -0.17 0.00 -0.63 0.00 0.00 39.34 36.85 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 8.10 0.98 -1.86 0.00 0.00 -2.01 -3.42 119.26 121.04 1ukp h ALA 449 Ca -0.35 -0.55 -0.64 0.00 0.00 0.00 0.00 54.91 53.37 1ukp h ALA 449 Cb 1.13 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1ukp h ALA 449 CO 0.49 0.75 0.39 1.21 0.00 0.00 0.00 179.25 182.08 1ukp s ASN 450 N -6.86 6.26 0.58 0.00 2.47 -1.26 -4.92 114.94 111.21 1ukp s ASN 450 Ca -0.02 -0.70 0.29 0.00 0.42 0.00 0.00 52.86 52.85 1ukp s ASN 450 Cb 0.13 -2.38 1.45 0.00 -1.45 0.00 0.00 41.25 38.99 1ukp s ASN 450 CO 0.77 -1.17 1.86 -0.65 -3.72 0.00 0.00 177.10 174.19 1ukp h PRO 451 N 9.27 0.00 -0.79 0.43 0.11 -1.83 -0.03 132.00 139.16 1ukp h PRO 451 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1ukp h PRO 451 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1ukp h PRO 451 CO 1.07 0.00 0.37 0.37 -0.21 0.00 0.00 178.00 179.60 1ukp h GLN 452 N 0.00 1.14 -0.35 1.05 4.15 -1.92 0.25 115.11 119.43 1ukp h GLN 452 Ca 0.28 -0.17 0.10 0.00 0.77 0.00 0.00 58.65 59.63 1ukp h GLN 452 Cb 1.40 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1ukp h GLN 452 CO -0.00 0.88 0.26 0.87 -1.93 0.00 0.00 178.83 178.91 1ukp h LYS 453 N 1.13 0.00 -0.54 1.69 1.57 -1.37 -2.10 116.57 116.94 1ukp h LYS 453 Ca 0.27 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.68 1ukp h LYS 453 Cb 0.13 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.19 1ukp h LYS 453 CO -0.03 0.00 -0.37 2.48 -0.57 0.00 0.00 179.45 180.96 1ukp n TYR 454 N -4.41 1.89 -2.86 -1.35 0.18 -0.68 -4.11 117.16 105.81 1ukp n TYR 454 Ca 0.05 -2.03 -0.22 0.00 1.88 0.00 0.00 57.90 57.58 1ukp n TYR 454 Cb 0.44 -0.50 0.02 0.00 -0.38 0.00 0.00 39.34 38.92 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 -0.92 -6.10 -4.08 9.48 5.03 -0.79 -4.86 115.26 113.02 1ukp n ASN 455 Ca 0.39 -0.22 -0.36 0.00 0.87 0.00 0.00 54.58 55.26 1ukp n ASN 455 Cb 0.90 -4.96 -0.09 0.00 -1.02 0.00 0.00 39.78 34.61 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 -3.15 3.57 0.07 3.10 3.76 0.80 -4.99 115.29 118.44 1ukp s HIS 456 Ca 0.23 -2.88 -0.30 0.00 -0.15 0.00 0.00 55.06 51.95 1ukp s HIS 456 Cb -0.10 -3.17 -0.09 0.00 1.11 0.00 0.00 32.58 30.33 1ukp s HIS 456 CO 0.28 -0.78 1.83 0.00 -0.85 0.00 0.00 174.74 175.23 1ukp s ALA 457 N -0.62 3.67 -0.46 -1.40 0.00 -1.26 -4.15 121.76 117.54 1ukp s ALA 457 Ca 0.21 1.32 -0.13 0.00 0.00 0.00 0.00 51.96 53.36 1ukp s ALA 457 Cb -0.15 -3.78 0.08 0.00 0.00 0.00 0.00 23.12 19.28 1ukp s ALA 457 CO -0.07 -1.35 0.35 0.42 0.00 0.00 0.00 175.76 175.11 1ukp s ILE 458 N 3.46 4.77 0.16 0.00 -1.09 -1.26 -5.06 121.20 122.18 1ukp s ILE 458 Ca 0.82 -1.29 0.05 0.00 -2.23 0.00 0.00 60.65 58.00 1ukp s ILE 458 Cb -0.43 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1ukp s ILE 458 CO 0.37 -0.60 -0.12 0.42 -1.23 0.00 0.00 174.94 173.79 1ukp s THR 459 N 1.53 1.34 0.24 2.92 -4.23 -1.26 -5.06 115.64 111.12 1ukp s THR 459 Ca 0.04 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 1ukp s THR 459 Cb -0.25 -1.89 -0.10 0.00 1.34 0.00 0.00 72.50 71.60 1ukp s THR 459 CO 0.04 -0.69 1.48 -2.84 -0.54 0.00 0.00 174.62 172.07 1ukp s PRO 460 N -3.67 4.24 0.04 3.99 0.02 -1.26 -4.04 135.00 134.32 1ukp s PRO 460 Ca 0.18 2.35 -0.32 0.00 0.02 0.00 0.00 61.00 63.23 1ukp s PRO 460 Cb 0.01 -3.11 -0.11 0.00 0.02 0.00 0.00 34.50 31.32 1ukp s PRO 460 CO 0.02 -0.48 1.85 -0.11 -0.33 0.00 0.00 177.00 177.96 1ukp n LEU 461 N 2.57 3.78 -4.93 -5.54 7.94 0.80 -4.76 117.00 116.86 1ukp n LEU 461 Ca 0.08 0.97 -0.25 0.00 -1.11 0.00 0.00 56.01 55.70 1ukp n LEU 461 Cb 0.40 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.87 1ukp n LEU 461 CO 0.61 0.06 0.34 -0.44 -1.11 0.00 0.00 177.39 176.85 1ukp s SER 462 N 3.31 6.08 0.72 1.96 0.01 -1.26 -0.72 113.70 123.81 1ukp s SER 462 Ca 0.86 0.61 -0.13 0.00 1.31 0.00 0.00 55.95 58.61 1ukp s SER 462 Cb -0.56 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 63.76 1ukp s SER 462 CO 0.43 -0.59 1.11 -2.16 0.41 0.00 0.00 173.24 172.44 1ukp s PRO 463 N -4.61 2.45 0.58 12.44 0.04 -1.26 -4.90 135.00 139.73 1ukp s PRO 463 Ca 0.46 1.34 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 1ukp s PRO 463 Cb -0.10 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1ukp s PRO 463 CO 0.41 -1.52 1.34 -1.12 0.04 0.00 0.00 177.00 176.15 1ukp s SER 464 N -2.87 5.08 0.98 6.66 0.01 -1.26 -4.98 113.70 117.31 1ukp s SER 464 Ca 0.65 2.71 -0.15 0.00 1.31 0.00 0.00 55.95 60.48 1ukp s SER 464 Cb -0.20 -2.63 0.18 0.00 0.21 0.00 0.00 66.02 63.58 1ukp s SER 464 CO 0.48 -1.69 1.19 0.00 0.41 0.00 0.00 173.24 173.63 1ukp s ALA 465 N -1.34 1.73 0.60 1.44 0.00 0.73 -4.98 121.76 119.95 1ukp s ALA 465 Ca 0.75 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1ukp s ALA 465 Cb -0.39 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1ukp s ALA 465 CO 0.45 -2.54 0.89 -2.30 0.00 0.00 0.00 175.76 172.26 1ukp n PRO 466 N -3.93 0.81 -1.75 0.00 -0.02 -1.26 -4.91 135.00 123.93 1ukp n PRO 466 Ca 0.10 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 1ukp n PRO 466 Cb 0.59 -2.09 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.90 2.20 -3.78 -0.52 3.00 -1.26 -4.93 118.16 111.97 1ukp n LYS 467 Ca 0.14 0.78 -0.36 0.00 -0.00 0.00 0.00 58.31 58.87 1ukp n LYS 467 Cb 0.48 -2.60 -0.13 0.00 0.00 0.00 0.00 35.03 32.78 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 -1.20 4.15 0.37 3.15 1.01 -1.26 -5.08 121.20 122.35 1ukp s ILE 468 Ca 0.61 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 1ukp s ILE 468 Cb -0.46 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.97 1ukp s ILE 468 CO 0.57 0.35 1.48 -2.16 0.00 0.00 0.00 174.94 175.18 1ukp s PRO 469 N 1.59 4.13 0.31 2.79 0.04 -1.26 -4.77 135.00 137.83 1ukp s PRO 469 Ca 0.06 2.55 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1ukp s PRO 469 Cb -0.15 -2.98 0.78 0.00 0.04 0.00 0.00 34.50 32.20 1ukp s PRO 469 CO 0.02 -0.51 1.57 0.97 0.04 0.00 0.00 177.00 179.09 1ukp h ILE 470 N 3.00 0.02 -0.43 0.56 6.09 -1.99 0.43 117.51 125.19 1ukp h ILE 470 Ca -0.51 -0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1ukp h ILE 470 Cb 1.24 0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.52 1ukp h ILE 470 CO 0.65 0.00 0.22 1.05 -3.07 0.00 0.00 178.15 177.00 1ukp h GLU 471 N 0.01 0.58 -0.27 2.19 9.09 -1.98 0.19 114.58 124.39 1ukp h GLU 471 Ca 0.61 -0.06 -0.17 0.00 0.05 0.00 0.00 59.36 59.80 1ukp h GLU 471 Cb 1.28 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1ukp h GLU 471 CO -0.92 0.44 -0.50 0.28 0.05 0.00 0.00 179.01 178.37 1ukp h VAL 472 N 0.59 1.29 -0.71 -1.06 2.07 -0.51 -2.48 116.25 115.44 1ukp h VAL 472 Ca 0.15 -1.69 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 1ukp h VAL 472 Cb 0.04 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1ukp h VAL 472 CO -0.02 0.55 0.17 -0.07 0.02 0.00 0.00 177.57 178.22 1ukp h LEU 473 N 0.60 1.08 0.00 2.57 3.38 -0.70 -2.54 115.31 119.70 1ukp h LEU 473 Ca 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ukp h LEU 473 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ukp h LEU 473 CO 0.11 1.03 0.00 0.18 0.09 0.00 0.00 178.44 179.85 1ukp n LEU 474 N -4.23 0.00 0.23 1.67 4.77 -0.03 -1.91 117.00 117.50 1ukp n LEU 474 Ca 0.05 0.43 0.15 0.00 -0.03 0.00 0.00 56.01 56.62 1ukp n LEU 474 Cb 0.26 -0.43 0.61 0.00 -2.33 0.00 0.00 43.42 41.53 1ukp n LEU 474 CO 0.42 -0.13 0.94 -0.33 -1.33 0.00 0.00 177.39 176.97 1ukp h GLU 475 N 0.00 0.00 0.00 3.23 5.08 -0.99 -2.27 114.58 119.63 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 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 -1.98 2.41 0.80 3.43 0.00 -0.81 -2.91 120.51 121.45 1ukp n ALA 476 Ca 0.01 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1ukp n ALA 476 Cb 0.28 -1.44 0.51 0.00 0.00 0.00 0.00 19.45 18.80 1ukp n ALA 476 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ukp n THR 477 N -1.20 0.36 -1.68 0.00 -2.24 -0.85 -4.34 114.28 104.32 1ukp n THR 477 Ca 0.15 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 1ukp n THR 477 Cb 0.18 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 1ukp n THR 477 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ukp n LYS 478 N -1.67 2.84 -1.72 -0.78 4.81 -1.15 0.21 118.16 120.71 1ukp n LYS 478 Ca 0.06 1.04 -0.42 0.00 -0.87 0.00 0.00 58.31 58.11 1ukp n LYS 478 Cb 0.31 -2.96 -0.01 0.00 0.02 0.00 0.00 35.03 32.39 1ukp n LYS 478 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ukp n PRO 479 N 6.54 2.30 -3.86 1.64 -0.02 -1.26 -4.70 135.00 135.64 1ukp n PRO 479 Ca 0.19 0.81 -0.12 0.00 -2.02 0.00 0.00 63.50 62.36 1ukp n PRO 479 Cb 0.39 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 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 -0.87 0.02 0.18 3.45 -4.23 -1.26 -5.06 115.64 107.86 1ukp s THR 480 Ca 0.57 -0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.64 1ukp s THR 480 Cb -0.55 -0.16 -0.09 0.00 1.34 0.00 0.00 72.50 73.04 1ukp s THR 480 CO 0.60 -0.08 1.35 -0.13 -0.54 0.00 0.00 174.62 175.82 1ukp s ARG 481 N -0.21 4.35 0.97 3.99 0.52 -1.26 -5.00 118.95 122.31 1ukp s ARG 481 Ca -0.03 2.09 -0.12 0.00 -0.52 0.00 0.00 55.73 57.15 1ukp s ARG 481 Cb -0.02 -3.20 0.17 0.00 0.52 0.00 0.00 34.95 32.42 1ukp s ARG 481 CO 0.00 -0.33 1.09 -1.25 0.02 0.00 0.00 175.30 174.83 1ukp s PRO 482 N 0.24 0.67 0.48 3.54 0.04 -1.26 -4.98 135.00 133.73 1ukp s PRO 482 Ca 0.59 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 1ukp s PRO 482 Cb -0.37 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1ukp s PRO 482 CO 0.36 -2.65 1.09 -0.06 0.04 0.00 0.00 177.00 175.79 1ukp s PHE 483 N -2.83 2.93 0.32 0.56 0.08 -1.26 -4.97 117.98 112.81 1ukp s PHE 483 Ca 0.65 1.57 -0.29 0.00 0.12 0.00 0.00 56.93 58.98 1ukp s PHE 483 Cb -0.20 -3.21 -0.10 0.00 -0.57 0.00 0.00 43.02 38.94 1ukp s PHE 483 CO 0.59 -1.14 1.36 -1.25 -0.10 0.00 0.00 175.22 174.67 1ukp s PRO 484 N -3.00 4.30 0.16 0.24 0.04 -1.26 -5.01 135.00 130.46 1ukp s PRO 484 Ca 0.66 2.29 0.07 0.00 0.04 0.00 0.00 61.00 64.06 1ukp s PRO 484 Cb -0.22 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1ukp s PRO 484 CO 0.26 -0.29 0.01 -0.46 0.04 0.00 0.00 177.00 176.56 1ukp s TRP 485 N -0.90 2.89 0.57 0.56 -0.11 -1.26 -4.72 118.94 115.98 1ukp s TRP 485 Ca 0.52 -0.11 -0.14 0.00 1.22 0.00 0.00 56.10 57.58 1ukp s TRP 485 Cb -0.41 -1.42 -0.05 0.00 -1.50 0.00 0.00 33.47 30.09 1ukp s TRP 485 CO 0.52 0.51 1.02 -0.51 -4.62 0.00 0.00 176.95 173.87 1ukp s LEU 486 N -2.82 3.45 0.05 5.86 1.43 -0.65 -4.98 118.68 121.02 1ukp s LEU 486 Ca 0.27 1.57 -0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1ukp s LEU 486 Cb -0.10 -4.50 -0.30 0.00 0.03 0.00 0.00 46.19 41.32 1ukp s LEU 486 CO 0.19 -0.84 1.04 -0.78 0.23 0.00 0.00 176.35 176.19 1ukp h ASP 487 N 0.35 0.54 -4.12 2.29 3.58 -2.00 -3.46 116.42 113.60 1ukp h ASP 487 Ca -0.46 -0.61 -0.22 0.00 0.42 0.00 0.00 57.03 56.16 1ukp h ASP 487 Cb 1.19 -0.18 -0.26 0.00 1.72 0.00 0.00 39.33 41.81 1ukp h ASP 487 CO 0.61 1.48 -0.72 -1.61 -2.88 0.00 0.00 179.24 176.12 1ukp s GLU 488 N -2.63 0.14 0.76 0.28 2.02 -1.26 -5.15 118.70 112.86 1ukp s GLU 488 Ca -0.07 -0.21 -0.12 0.00 0.02 0.00 0.00 54.97 54.59 1ukp s GLU 488 Cb 0.06 -0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.32 1ukp s GLU 488 CO 0.90 -0.00 1.12 -0.08 0.02 0.00 0.00 175.26 177.21 1ukp s THR 489 N -0.46 3.00 -2.33 3.63 -1.32 -1.26 -4.93 115.64 111.97 1ukp s THR 489 Ca -0.04 0.38 0.26 0.00 -1.21 0.00 0.00 61.69 61.08 1ukp s THR 489 Cb -0.03 -2.81 0.35 0.00 -1.51 0.00 0.00 72.50 68.49 1ukp s THR 489 CO -0.00 -0.37 1.54 -0.90 -2.21 0.00 0.00 174.62 172.68 1ukp n ASP 490 N -3.23 1.68 -3.07 8.08 5.75 -1.26 -4.40 116.55 120.10 1ukp n ASP 490 Ca 0.10 -1.42 -0.25 0.00 -0.01 0.00 0.00 54.79 53.22 1ukp n ASP 490 Cb 0.52 0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.12 2.55 -2.21 0.11 2.81 -1.26 -5.03 117.12 114.21 1ukp n MET 491 Ca 0.15 -4.45 -0.36 0.00 -1.81 0.00 0.00 57.70 51.23 1ukp n MET 491 Cb 0.41 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 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 -3.02 3.48 0.40 0.03 1.02 -1.26 -4.88 119.74 115.51 1ukp s LYS 492 Ca 0.45 1.74 0.29 0.00 0.02 0.00 0.00 55.97 58.47 1ukp s LYS 492 Cb 0.27 -2.19 1.36 0.00 -0.52 0.00 0.00 37.83 36.76 1ukp s LYS 492 CO -0.11 -0.77 1.86 -0.39 -0.92 0.00 0.00 175.35 175.02 1ukp h VAL 493 N 1.48 0.00 0.00 3.17 -1.51 -1.89 -3.37 116.25 114.12 1ukp h VAL 493 Ca -0.50 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1ukp h VAL 493 Cb 1.26 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1ukp h VAL 493 CO 0.58 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.39 1ukp n ASP 494 N -2.55 0.00 -0.64 4.19 10.43 -1.26 -4.94 116.55 121.78 1ukp n ASP 494 Ca -0.00 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.44 1ukp n ASP 494 Cb 0.16 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.19 1ukp n ASP 494 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74