#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukc n HIS 23 N 0.00 0.67 1.18 7.33 -0.00 -1.26 0.83 115.22 123.97 1ukc n HIS 23 Ca 0.00 0.25 0.11 0.00 -0.00 0.00 0.00 57.72 58.08 1ukc n HIS 23 Cb 0.00 -0.90 0.59 0.00 -0.00 0.00 0.00 29.99 29.68 1ukc n HIS 23 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1ukc n ASN 24 N -2.10 0.00 0.00 4.39 6.94 -1.26 -4.40 115.26 118.84 1ukc n ASN 24 Ca 0.03 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 1ukc n ASN 24 Cb 0.26 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1ukc n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ukc n ALA 25 N -1.16 2.46 -3.71 -2.53 0.00 0.37 -5.01 120.51 110.94 1ukc n ALA 25 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1ukc n ALA 25 Cb 0.13 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 1ukc n ALA 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ukc s GLN 26 N -1.59 2.12 0.31 0.00 -1.52 0.24 -4.61 119.66 114.62 1ukc s GLN 26 Ca 0.00 -1.68 -0.29 0.00 -1.95 0.00 0.00 55.36 51.44 1ukc s GLN 26 Cb 0.00 -3.51 -0.10 0.00 -0.22 0.00 0.00 33.01 29.18 1ukc s GLN 26 CO 0.00 -0.97 1.28 -1.25 -0.25 0.00 0.00 175.29 174.10 1ukc s PRO 27 N 1.18 4.40 -0.04 2.91 0.04 -1.26 -4.01 135.00 138.23 1ukc s PRO 27 Ca 0.05 2.14 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1ukc s PRO 27 Cb -0.22 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1ukc s PRO 27 CO -0.03 -0.14 -0.21 0.08 0.04 0.00 0.00 177.00 176.74 1ukc s VAL 28 N -0.97 1.70 -0.07 -0.36 1.01 -1.26 -0.55 120.40 119.91 1ukc s VAL 28 Ca 0.49 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1ukc s VAL 28 Cb -0.38 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1ukc s VAL 28 CO 0.49 0.48 -0.21 -0.63 0.00 0.00 0.00 175.10 175.24 1ukc s ILE 29 N -0.23 1.75 -0.32 2.22 -1.09 -0.21 -4.98 121.20 118.34 1ukc s ILE 29 Ca 0.01 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.49 1ukc s ILE 29 Cb -0.11 -1.51 0.03 0.00 -1.58 0.00 0.00 42.46 39.29 1ukc s ILE 29 CO 0.01 0.49 0.10 0.21 -1.23 0.00 0.00 174.94 174.53 1ukc s ASN 30 N 0.13 5.25 0.00 3.58 3.04 -1.26 -0.95 114.94 124.73 1ukc s ASN 30 Ca -0.09 -0.96 0.20 0.00 0.04 0.00 0.00 52.86 52.05 1ukc s ASN 30 Cb -0.14 -1.88 0.51 0.00 -1.54 0.00 0.00 41.25 38.20 1ukc s ASN 30 CO 0.05 -0.27 1.43 0.18 -3.04 0.00 0.00 177.10 175.44 1ukc n LEU 31 N 4.84 3.58 0.00 3.21 4.77 0.01 -5.01 117.00 128.41 1ukc n LEU 31 Ca -0.13 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 1ukc n LEU 31 Cb 0.46 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ukc n LEU 31 CO 0.32 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1ukc n GLY 32 N 1.35 1.96 0.21 -0.72 0.00 -1.26 -4.42 105.19 102.31 1ukc n GLY 32 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ukc n GLY 32 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1ukc h TYR 33 N 0.00 0.22 -3.37 1.61 -0.00 -1.95 -3.46 116.97 110.03 1ukc h TYR 33 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 58.73 58.62 1ukc h TYR 33 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 36.73 36.53 1ukc h TYR 33 CO 0.00 0.48 -0.14 0.00 -0.00 0.00 0.00 178.16 178.50 1ukc s ALA 34 N -4.37 -0.81 -0.07 0.10 0.00 -1.26 -0.44 121.76 114.91 1ukc s ALA 34 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1ukc s ALA 34 Cb 0.14 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1ukc s ALA 34 CO 0.75 -0.56 -0.23 1.03 0.00 0.00 0.00 175.76 176.75 1ukc s ARG 35 N -3.39 2.65 -0.07 0.00 0.52 -1.26 -0.81 118.95 116.59 1ukc s ARG 35 Ca 0.01 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 1ukc s ARG 35 Cb 0.01 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 1ukc s ARG 35 CO -0.09 0.38 -0.20 0.71 0.02 0.00 0.00 175.30 176.13 1ukc s TYR 36 N -0.15 2.58 -0.27 -0.53 1.51 -0.12 -0.55 117.35 119.82 1ukc s TYR 36 Ca -0.04 -0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 55.39 1ukc s TYR 36 Cb -0.14 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1ukc s TYR 36 CO 0.04 -0.09 0.15 -1.14 -1.11 0.00 0.00 175.55 173.40 1ukc s GLN 37 N -0.25 3.87 0.00 -0.62 0.74 -0.27 -1.05 119.66 122.09 1ukc s GLN 37 Ca -0.00 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1ukc s GLN 37 Cb -0.13 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.42 1ukc s GLN 37 CO 0.03 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1ukc n GLY 38 N 4.99 2.90 3.18 2.59 0.00 0.29 -0.39 105.19 118.74 1ukc n GLY 38 Ca -0.15 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 1ukc n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukc s VAL 39 N 1.88 1.69 -0.21 1.61 1.01 -0.13 -4.31 120.40 121.93 1ukc s VAL 39 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1ukc s VAL 39 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1ukc s VAL 39 CO 0.00 0.48 0.17 -0.60 0.00 0.00 0.00 175.10 175.14 1ukc s ARG 40 N 0.09 4.15 0.06 2.72 3.52 -1.26 -0.43 118.95 127.80 1ukc s ARG 40 Ca -0.07 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1ukc s ARG 40 Cb -0.14 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1ukc s ARG 40 CO 0.04 0.19 0.23 -0.51 -0.81 0.00 0.00 175.30 174.43 1ukc s LEU 41 N 0.69 4.35 0.54 -0.88 1.43 0.18 -4.99 118.68 120.00 1ukc s LEU 41 Ca 0.09 0.33 0.24 0.00 -1.03 0.00 0.00 54.13 53.75 1ukc s LEU 41 Cb -0.12 -2.97 1.40 0.00 0.03 0.00 0.00 46.19 44.53 1ukc s LEU 41 CO 0.01 0.16 2.05 -0.08 0.23 0.00 0.00 176.35 178.73 1ukc h GLU 42 N 3.13 0.00 0.00 1.70 4.81 -1.99 -1.10 114.58 121.14 1ukc h GLU 42 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ukc h GLU 42 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ukc h GLU 42 CO 0.75 0.00 0.08 0.00 -0.73 0.00 0.00 179.01 179.11 1ukc n ALA 43 N -2.57 0.85 -1.26 2.92 0.00 -1.26 -4.81 120.51 114.38 1ukc n ALA 43 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ukc n ALA 43 Cb 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1ukc n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukc n GLY 44 N -1.40 0.49 3.29 0.00 0.00 -0.42 -4.95 105.19 102.20 1ukc n GLY 44 Ca -0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1ukc n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukc s VAL 45 N -2.00 2.04 -0.11 1.61 1.01 -1.25 -0.44 120.40 121.27 1ukc s VAL 45 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1ukc s VAL 45 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1ukc s VAL 45 CO 0.00 0.57 0.04 -1.81 0.00 0.00 0.00 175.10 173.91 1ukc s ASP 46 N -0.44 5.57 -0.06 3.32 1.01 0.10 -0.64 116.67 125.52 1ukc s ASP 46 Ca 0.05 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.56 1ukc s ASP 46 Cb -0.11 -1.69 -0.02 0.00 1.01 0.00 0.00 42.92 42.11 1ukc s ASP 46 CO 0.01 0.36 -0.14 -1.61 0.21 0.00 0.00 175.17 174.00 1ukc s GLU 47 N -0.77 2.67 -0.28 8.23 2.02 0.43 -1.23 118.70 129.77 1ukc s GLU 47 Ca 0.12 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1ukc s GLU 47 Cb -0.12 -2.42 0.08 0.00 0.10 0.00 0.00 34.13 31.77 1ukc s GLU 47 CO 0.03 0.54 0.01 -0.06 0.02 0.00 0.00 175.26 175.80 1ukc s PHE 48 N -0.51 2.65 -0.00 1.61 0.08 0.64 -0.95 117.98 121.49 1ukc s PHE 48 Ca 0.07 -2.13 0.05 0.00 0.12 0.00 0.00 56.93 55.04 1ukc s PHE 48 Cb -0.12 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1ukc s PHE 48 CO 0.02 -0.85 -0.14 -0.51 -0.10 0.00 0.00 175.22 173.64 1ukc s LEU 49 N 1.30 2.80 -0.62 -0.37 1.43 0.03 -0.55 118.68 122.70 1ukc s LEU 49 Ca 0.03 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1ukc s LEU 49 Cb -0.19 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1ukc s LEU 49 CO -0.11 0.30 0.27 0.61 0.23 0.00 0.00 176.35 177.64 1ukc n GLY 50 N 1.86 0.21 3.84 -3.19 0.00 -1.22 -3.94 105.19 102.75 1ukc n GLY 50 Ca -0.16 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1ukc n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ukc s MET 51 N -5.04 4.01 -0.19 1.61 -1.94 -0.46 -4.75 119.30 112.54 1ukc s MET 51 Ca 0.13 0.83 -0.14 0.00 -1.71 0.00 0.00 55.69 54.80 1ukc s MET 51 Cb -0.06 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 1ukc s MET 51 CO 0.16 -0.04 0.32 1.03 -0.01 0.00 0.00 175.02 176.49 1ukc s ARG 52 N -3.46 4.20 0.00 2.03 0.52 -1.26 -0.23 118.95 120.74 1ukc s ARG 52 Ca 0.57 0.09 0.17 0.00 -0.52 0.00 0.00 55.73 56.04 1ukc s ARG 52 Cb -0.10 -3.49 0.05 0.00 0.52 0.00 0.00 34.95 31.94 1ukc s ARG 52 CO 0.22 0.10 0.95 2.48 0.02 0.00 0.00 175.30 179.07 1ukc n TYR 53 N 4.04 0.00 -3.70 -0.53 0.18 -1.17 -4.82 117.16 111.16 1ukc n TYR 53 Ca -0.11 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.58 1ukc n TYR 53 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.44 1ukc n TYR 53 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ukc s ALA 54 N -1.76 -1.07 0.57 -3.48 0.00 -1.26 -4.26 121.76 110.50 1ukc s ALA 54 Ca 0.17 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 1ukc s ALA 54 Cb 0.14 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 1ukc s ALA 54 CO 0.34 -0.82 1.11 -1.12 0.00 0.00 0.00 175.76 175.26 1ukc s SER 55 N -2.86 5.65 0.10 0.00 0.01 0.38 -4.40 113.70 112.57 1ukc s SER 55 Ca 0.08 2.07 -0.34 0.00 1.31 0.00 0.00 55.95 59.07 1ukc s SER 55 Cb -0.02 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.51 1ukc s SER 55 CO -0.03 -1.26 1.64 -2.65 0.41 0.00 0.00 173.24 171.34 1ukc n PRO 56 N -1.61 2.12 -1.40 12.44 -0.02 -1.26 -4.65 135.00 140.61 1ukc n PRO 56 Ca 0.11 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 62.02 1ukc n PRO 56 Cb 0.52 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1ukc n PRO 56 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ukc n PRO 57 N 4.14 3.45 -4.40 0.52 -0.04 -1.26 -4.85 135.00 132.57 1ukc n PRO 57 Ca 0.18 -2.23 -0.25 0.00 -0.04 0.00 0.00 63.50 61.16 1ukc n PRO 57 Cb 0.28 -2.55 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 1ukc n PRO 57 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ukc s ILE 58 N 0.91 2.62 0.00 0.52 -4.36 -1.26 -3.43 121.20 116.20 1ukc s ILE 58 Ca 0.65 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1ukc s ILE 58 Cb 0.22 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 41.25 1ukc s ILE 58 CO -0.07 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.46 1ukc n GLY 59 N -0.85 3.71 0.23 6.27 0.00 -1.26 -1.61 105.19 111.67 1ukc n GLY 59 Ca -0.05 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.09 1ukc n GLY 59 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ukc h ASP 60 N 0.00 0.00 0.12 1.61 -0.00 -1.95 -2.73 116.42 113.47 1ukc h ASP 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ukc h ASP 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ukc h ASP 60 CO 0.00 0.00 -0.16 0.18 -0.00 0.00 0.00 179.24 179.26 1ukc n LEU 61 N -2.68 1.32 -4.76 2.28 4.77 -0.63 -4.75 117.00 112.55 1ukc n LEU 61 Ca -0.00 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 1ukc n LEU 61 Cb 0.17 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1ukc n LEU 61 CO 0.20 0.23 1.05 -0.60 -1.33 0.00 0.00 177.39 176.94 1ukc s ARG 62 N -2.29 4.30 -2.12 3.23 3.52 -1.03 -2.39 118.95 122.17 1ukc s ARG 62 Ca 0.29 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 1ukc s ARG 62 Cb 0.20 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1ukc s ARG 62 CO 0.44 -0.32 0.00 1.19 -0.81 0.00 0.00 175.30 175.80 1ukc n PHE 63 N 1.59 -0.17 -4.40 5.12 3.72 -1.26 -4.99 117.46 117.06 1ukc n PHE 63 Ca 0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.18 1ukc n PHE 63 Cb 0.41 -3.53 -0.10 0.00 -0.94 0.00 0.00 39.48 35.31 1ukc n PHE 63 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ukc s ARG 64 N -3.97 1.78 0.62 -1.08 0.52 -1.01 -2.02 118.95 113.78 1ukc s ARG 64 Ca 0.00 -1.55 -0.18 0.00 -0.52 0.00 0.00 55.73 53.48 1ukc s ARG 64 Cb 0.00 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.49 1ukc s ARG 64 CO 0.00 0.38 0.61 0.00 0.02 0.00 0.00 175.30 176.31 1ukc n ALA 65 N -0.25 -0.97 -1.77 2.13 0.00 -1.26 -4.86 120.51 113.53 1ukc n ALA 65 Ca -0.09 -0.07 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 1ukc n ALA 65 Cb 0.58 -1.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 1ukc n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ukc s PRO 66 N -2.39 3.81 0.26 0.00 0.04 -1.26 -5.04 135.00 130.42 1ukc s PRO 66 Ca 0.70 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.86 1ukc s PRO 66 Cb -0.41 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1ukc s PRO 66 CO 0.54 -0.58 0.07 -0.65 0.04 0.00 0.00 177.00 176.42 1ukc s GLN 67 N -2.45 2.52 0.43 4.56 -0.21 -1.26 -4.98 119.66 118.26 1ukc s GLN 67 Ca 0.61 -1.30 -0.23 0.00 0.02 0.00 0.00 55.36 54.46 1ukc s GLN 67 Cb -0.35 -2.30 -0.11 0.00 1.00 0.00 0.00 33.01 31.24 1ukc s GLN 67 CO 0.44 0.36 0.73 -0.25 -2.12 0.00 0.00 175.29 174.45 1ukc n ASP 68 N -1.01 -0.07 -4.77 5.90 8.00 -1.26 -0.47 116.55 122.88 1ukc n ASP 68 Ca -0.07 0.95 -0.33 0.00 0.71 0.00 0.00 54.79 56.05 1ukc n ASP 68 Cb 0.59 -1.21 0.05 0.00 -0.02 0.00 0.00 41.12 40.52 1ukc n ASP 68 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ukc s PRO 69 N -1.79 2.81 0.22 -0.24 0.04 -1.26 -3.19 135.00 131.60 1ukc s PRO 69 Ca 0.64 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1ukc s PRO 69 Cb -0.58 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1ukc s PRO 69 CO 0.57 -1.25 1.09 -1.25 0.04 0.00 0.00 177.00 176.20 1ukc s PRO 70 N -3.97 4.63 0.37 0.56 0.04 -1.26 -4.87 135.00 130.50 1ukc s PRO 70 Ca 0.68 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 1ukc s PRO 70 Cb -0.22 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 1ukc s PRO 70 CO 0.40 0.16 1.44 0.00 0.04 0.00 0.00 177.00 179.04 1ukc s ALA 71 N -0.68 3.53 -0.22 8.56 0.00 -1.26 -4.86 121.76 126.83 1ukc s ALA 71 Ca 0.47 1.50 -0.10 0.00 0.00 0.00 0.00 51.96 53.84 1ukc s ALA 71 Cb -0.30 -3.58 0.09 0.00 0.00 0.00 0.00 23.12 19.32 1ukc s ALA 71 CO 0.37 -0.98 0.50 1.21 0.00 0.00 0.00 175.76 176.86 1ukc s ASN 72 N -0.24 -0.59 0.18 0.00 3.84 0.42 -5.04 114.94 113.51 1ukc s ASN 72 Ca 0.53 1.14 0.16 0.00 0.21 0.00 0.00 52.86 54.90 1ukc s ASN 72 Cb -0.45 1.35 -0.03 0.00 -0.55 0.00 0.00 41.25 41.57 1ukc s ASN 72 CO 0.61 -0.22 1.18 1.56 -2.79 0.00 0.00 177.10 177.43 1ukc h GLN 73 N 7.65 0.00 -6.90 0.43 4.20 -1.96 -3.39 115.11 115.15 1ukc h GLN 73 Ca -0.24 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.93 1ukc h GLN 73 Cb 1.15 0.00 0.09 0.00 0.30 0.00 0.00 27.48 29.01 1ukc h GLN 73 CO 0.17 0.41 0.73 0.99 -0.67 0.00 0.00 178.83 180.46 1ukc s THR 74 N -2.95 2.36 0.10 -0.54 2.01 -1.26 -4.91 115.64 110.45 1ukc s THR 74 Ca 0.01 0.35 -0.35 0.00 0.31 0.00 0.00 61.69 62.01 1ukc s THR 74 Cb 0.08 -3.22 -0.15 0.00 0.01 0.00 0.00 72.50 69.22 1ukc s THR 74 CO 0.78 0.08 1.50 -0.11 -0.69 0.00 0.00 174.62 176.17 1ukc n LEU 75 N 0.82 2.47 -4.77 4.42 7.94 -1.26 -4.64 117.00 121.98 1ukc n LEU 75 Ca 0.01 1.09 -0.36 0.00 -1.11 0.00 0.00 56.01 55.64 1ukc n LEU 75 Cb 0.40 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 42.97 1ukc n LEU 75 CO 0.62 -0.60 -0.10 -1.10 -1.11 0.00 0.00 177.39 175.10 1ukc s GLN 76 N 0.96 4.02 0.09 1.96 -1.52 0.28 -5.00 119.66 120.45 1ukc s GLN 76 Ca 0.82 -0.04 -0.31 0.00 -1.95 0.00 0.00 55.36 53.89 1ukc s GLN 76 Cb -0.81 -3.35 -0.07 0.00 -0.22 0.00 0.00 33.01 28.56 1ukc s GLN 76 CO 0.43 0.42 1.31 0.45 -0.25 0.00 0.00 175.29 177.65 1ukc s SER 77 N -0.05 6.93 -0.31 5.90 0.15 -1.26 -1.11 113.70 123.95 1ukc s SER 77 Ca 0.14 2.19 0.10 0.00 0.70 0.00 0.00 55.95 59.08 1ukc s SER 77 Cb -0.12 -2.58 0.46 0.00 -1.71 0.00 0.00 66.02 62.06 1ukc s SER 77 CO 0.03 -0.57 1.16 0.00 1.20 0.00 0.00 173.24 175.05 1ukc n ALA 78 N 3.93 4.59 0.86 5.45 0.00 0.47 -4.79 120.51 131.03 1ukc n ALA 78 Ca 0.10 -3.68 0.10 0.00 0.00 0.00 0.00 53.44 49.96 1ukc n ALA 78 Cb 0.44 -0.46 0.04 0.00 0.00 0.00 0.00 19.45 19.47 1ukc n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ukc n THR 79 N -0.64 0.00 -3.84 0.00 -2.24 -1.24 -0.79 114.28 105.54 1ukc n THR 79 Ca 0.36 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1ukc n THR 79 Cb 0.89 1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 70.33 1ukc n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ukc s GLU 80 N -1.99 0.28 0.46 -0.78 2.02 -1.26 -4.93 118.70 112.50 1ukc s GLU 80 Ca 0.20 0.03 -0.25 0.00 0.02 0.00 0.00 54.97 54.97 1ukc s GLU 80 Cb 0.16 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.44 1ukc s GLU 80 CO 0.39 -0.05 1.40 0.71 0.02 0.00 0.00 175.26 177.73 1ukc s TYR 81 N -0.37 2.48 0.86 1.61 1.51 -1.26 -3.44 117.35 118.75 1ukc s TYR 81 Ca -0.05 1.29 -0.12 0.00 -1.01 0.00 0.00 57.07 57.19 1ukc s TYR 81 Cb -0.03 -3.88 0.11 0.00 -0.11 0.00 0.00 41.96 38.05 1ukc s TYR 81 CO 0.01 -2.83 1.14 0.20 -1.11 0.00 0.00 175.55 172.96 1ukc s GLY 82 N -0.59 1.59 0.68 0.71 0.00 -1.26 -4.87 107.32 103.58 1ukc s GLY 82 Ca 0.62 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 1ukc s GLY 82 CO 0.54 0.02 1.19 2.56 0.00 0.00 0.00 173.10 177.42 1ukc s PRO 83 N -5.32 2.48 0.69 2.90 0.04 -1.21 -4.90 135.00 129.68 1ukc s PRO 83 Ca 0.63 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 63.29 1ukc s PRO 83 Cb -0.14 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1ukc s PRO 83 CO 0.53 -1.57 1.03 0.96 0.04 0.00 0.00 177.00 177.99 1ukc s ILE 84 N -1.95 2.87 0.04 0.56 -4.36 -0.40 -4.55 121.20 113.41 1ukc s ILE 84 Ca 0.74 0.02 -0.30 0.00 -0.26 0.00 0.00 60.65 60.84 1ukc s ILE 84 Cb -0.28 -3.23 -0.05 0.00 1.25 0.00 0.00 42.46 40.15 1ukc s ILE 84 CO 0.41 -0.27 1.24 0.00 0.24 0.00 0.00 174.94 176.57 1ukc s ILE 86 N 1.40 2.61 0.04 0.00 2.07 -0.62 -4.34 121.20 122.36 1ukc s ILE 86 Ca 0.59 0.45 0.00 0.00 -1.41 0.00 0.00 60.65 60.28 1ukc s ILE 86 Cb -0.30 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.01 1ukc s ILE 86 CO 0.28 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.96 1ukc n GLY 87 N 3.54 4.14 3.62 1.50 0.00 -1.26 -4.61 105.19 112.12 1ukc n GLY 87 Ca 0.13 -2.22 -0.52 0.00 0.00 0.00 0.00 46.02 43.41 1ukc n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ukc n LEU 88 N 0.00 2.00 -0.23 0.99 7.94 -0.08 -1.69 117.00 125.92 1ukc n LEU 88 Ca -0.02 1.10 -0.03 0.00 -1.11 0.00 0.00 56.01 55.96 1ukc n LEU 88 Cb 0.05 -1.22 -0.01 0.00 0.53 0.00 0.00 43.42 42.76 1ukc n LEU 88 CO 0.03 -0.83 -0.03 0.47 -1.11 0.00 0.00 177.39 175.92 1ukc n ASP 89 N 3.14 -5.86 -4.97 1.96 8.00 0.10 -4.95 116.55 113.98 1ukc n ASP 89 Ca 0.19 0.07 -0.22 0.00 0.71 0.00 0.00 54.79 55.55 1ukc n ASP 89 Cb 0.20 -3.62 0.03 0.00 -0.02 0.00 0.00 41.12 37.72 1ukc n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ukc s GLU 90 N -2.21 2.61 -0.03 -1.24 2.02 -0.68 -5.11 118.70 114.05 1ukc s GLU 90 Ca 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 54.97 54.35 1ukc s GLU 90 Cb 0.00 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 1ukc s GLU 90 CO 0.00 -0.68 -0.22 -2.00 0.02 0.00 0.00 175.26 172.38 1ukc s GLU 91 N -4.76 2.00 0.35 1.61 2.12 -1.26 -4.87 118.70 113.90 1ukc s GLU 91 Ca 0.56 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 1ukc s GLU 91 Cb -0.10 -1.83 -0.11 0.00 0.26 0.00 0.00 34.13 32.35 1ukc s GLU 91 CO 0.39 0.42 1.50 -1.21 -0.54 0.00 0.00 175.26 175.82 1ukc s GLU 92 N -0.34 4.12 -0.14 4.30 2.02 -1.26 -4.82 118.70 122.58 1ukc s GLU 92 Ca 0.03 2.56 -0.04 0.00 0.02 0.00 0.00 54.97 57.55 1ukc s GLU 92 Cb -0.10 -2.99 0.06 0.00 0.10 0.00 0.00 34.13 31.20 1ukc s GLU 92 CO 0.01 -0.54 0.15 0.45 0.02 0.00 0.00 175.26 175.34 1ukc s SER 93 N -0.01 1.46 -0.38 -0.19 0.15 -0.06 -4.96 113.70 109.71 1ukc s SER 93 Ca 0.55 -0.15 -0.44 0.00 0.70 0.00 0.00 55.95 56.61 1ukc s SER 93 Cb -0.47 0.12 -0.19 0.00 -1.71 0.00 0.00 66.02 63.78 1ukc s SER 93 CO 0.59 -0.30 1.60 -0.81 1.20 0.00 0.00 173.24 175.52 1ukc n PRO 94 N 5.31 0.38 0.00 5.44 -0.04 -1.26 -0.34 135.00 144.49 1ukc n PRO 94 Ca -0.05 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ukc n PRO 94 Cb 0.49 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1ukc n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ukc n GLY 95 N 3.84 2.94 0.49 0.55 0.00 -1.26 -4.77 105.19 106.98 1ukc n GLY 95 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 1ukc n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ukc n ASP 96 N 0.00 1.24 -3.73 1.61 8.00 0.54 -3.33 116.55 120.89 1ukc n ASP 96 Ca 0.00 0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.54 1ukc n ASP 96 Cb 0.00 -0.50 -0.17 0.00 -0.02 0.00 0.00 41.12 40.43 1ukc n ASP 96 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ukc s ILE 97 N -2.35 -0.08 0.14 0.53 1.01 -0.21 -1.27 121.20 118.98 1ukc s ILE 97 Ca -0.22 0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 1ukc s ILE 97 Cb 0.08 -0.11 0.07 0.00 0.01 0.00 0.00 42.46 42.50 1ukc s ILE 97 CO 0.29 0.13 0.58 -0.55 0.00 0.00 0.00 174.94 175.38 1ukc s SER 98 N 1.52 -0.54 0.26 3.58 0.15 -0.60 -0.88 113.70 117.20 1ukc s SER 98 Ca -0.03 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 1ukc s SER 98 Cb -0.13 0.58 0.32 0.00 -1.71 0.00 0.00 66.02 65.09 1ukc s SER 98 CO -0.03 -0.93 1.79 -0.33 1.20 0.00 0.00 173.24 174.93 1ukc h GLU 99 N 2.11 0.89 -5.79 5.44 5.08 -1.92 -1.65 114.58 118.74 1ukc h GLU 99 Ca -0.34 -0.20 -0.64 0.00 -1.00 0.00 0.00 59.36 57.18 1ukc h GLU 99 Cb 1.29 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 1ukc h GLU 99 CO 0.39 0.82 1.50 0.34 -1.00 0.00 0.00 179.01 181.06 1ukc s ASP 100 N -6.56 6.62 0.00 1.42 2.15 -1.26 -4.53 116.67 114.50 1ukc s ASP 100 Ca -0.10 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.04 1ukc s ASP 100 Cb 0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1ukc s ASP 100 CO 0.81 -1.32 0.08 0.00 -0.17 0.00 0.00 175.17 174.57 1ukc n LEU 102 N -0.00 5.37 -4.58 0.00 4.77 -1.26 -4.52 117.00 116.77 1ukc n LEU 102 Ca 0.00 -3.80 -0.27 0.00 -0.03 0.00 0.00 56.01 51.91 1ukc n LEU 102 Cb 0.27 -1.64 -0.09 0.00 -2.33 0.00 0.00 43.42 39.62 1ukc n LEU 102 CO 0.00 0.23 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.53 1ukc s PHE 103 N 4.69 2.68 0.04 -1.77 0.08 -1.26 -3.03 117.98 119.41 1ukc s PHE 103 Ca 0.53 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.43 1ukc s PHE 103 Cb 0.09 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1ukc s PHE 103 CO 0.03 0.49 -0.13 -1.50 -0.10 0.00 0.00 175.22 174.00 1ukc s ILE 104 N -1.57 1.06 -0.02 0.64 2.07 0.68 -1.69 121.20 122.36 1ukc s ILE 104 Ca 0.24 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 1ukc s ILE 104 Cb -0.09 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.52 1ukc s ILE 104 CO 0.15 -0.05 -0.08 0.20 -1.91 0.00 0.00 174.94 173.24 1ukc s ASN 105 N -1.24 1.12 -0.05 4.50 -0.87 0.14 -1.36 114.94 117.19 1ukc s ASN 105 Ca 0.00 -0.17 0.03 0.00 -1.57 0.00 0.00 52.86 51.16 1ukc s ASN 105 Cb -0.08 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 1ukc s ASN 105 CO 0.01 0.06 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.77 1ukc s VAL 106 N 0.18 1.24 -0.11 1.60 1.01 0.29 -1.40 120.40 123.22 1ukc s VAL 106 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ukc s VAL 106 Cb -0.08 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ukc s VAL 106 CO 0.00 0.37 -0.11 -0.36 0.00 0.00 0.00 175.10 175.00 1ukc s PHE 107 N 0.24 2.83 0.03 5.22 0.40 0.39 -0.26 117.98 126.83 1ukc s PHE 107 Ca -0.07 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1ukc s PHE 107 Cb -0.12 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1ukc s PHE 107 CO 0.02 -0.05 -0.03 -1.59 0.70 0.00 0.00 175.22 174.28 1ukc s LYS 108 N 0.00 0.43 0.31 0.44 -2.85 -0.37 -1.45 119.74 116.26 1ukc s LYS 108 Ca -0.03 -0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 53.81 1ukc s LYS 108 Cb -0.14 0.15 -0.12 0.00 -2.06 0.00 0.00 37.83 35.66 1ukc s LYS 108 CO 0.04 -0.08 1.47 -2.30 0.10 0.00 0.00 175.35 174.59 1ukc n PRO 109 N 1.03 2.44 -0.30 1.78 -0.02 -1.26 0.01 135.00 138.68 1ukc n PRO 109 Ca -0.20 0.86 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 1ukc n PRO 109 Cb 0.57 -2.57 0.33 0.00 -0.02 0.00 0.00 33.50 31.81 1ukc n PRO 109 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ukc h SER 110 N 3.85 0.75 1.20 2.55 0.02 -1.04 -2.38 113.55 118.49 1ukc h SER 110 Ca -0.47 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ukc h SER 110 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ukc h SER 110 CO 0.72 0.38 0.00 0.35 -1.14 0.00 0.00 176.83 177.14 1ukc n THR 111 N -4.59 0.33 -2.13 -2.27 -2.24 -1.26 -4.86 114.28 97.26 1ukc n THR 111 Ca 0.18 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 1ukc n THR 111 Cb 0.44 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1ukc n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukc s ALA 112 N -3.06 3.44 0.44 6.98 0.00 -0.90 -5.04 121.76 123.62 1ukc s ALA 112 Ca 0.12 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1ukc s ALA 112 Cb 0.15 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1ukc s ALA 112 CO 0.55 -0.65 0.03 0.25 0.00 0.00 0.00 175.76 175.94 1ukc n THR 113 N 0.66 0.00 0.25 0.00 -2.24 -1.26 -4.80 114.28 106.89 1ukc n THR 113 Ca 0.01 -2.18 0.16 0.00 -2.27 0.00 0.00 64.05 59.77 1ukc n THR 113 Cb 0.42 0.52 0.84 0.00 -2.10 0.00 0.00 70.33 70.02 1ukc n THR 113 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ukc h SER 114 N 1.20 0.00 0.54 3.42 4.64 -1.79 -0.76 113.55 120.80 1ukc h SER 114 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ukc h SER 114 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ukc h SER 114 CO 0.59 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.99 1ukc n GLN 115 N -2.62 0.06 -0.24 4.77 6.02 -1.26 -4.43 117.38 119.68 1ukc n GLN 115 Ca -0.02 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.96 1ukc n GLN 115 Cb 0.07 -1.53 0.17 0.00 1.02 0.00 0.00 30.24 29.97 1ukc n GLN 115 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1ukc h SER 116 N 0.00 0.94 -6.29 1.08 0.02 -1.37 -3.47 113.55 104.46 1ukc h SER 116 Ca 0.00 -0.09 -0.45 0.00 -0.84 0.00 0.00 61.79 60.41 1ukc h SER 116 Cb 0.55 -0.24 0.05 0.00 0.14 0.00 0.00 62.40 62.90 1ukc h SER 116 CO 0.00 0.78 -0.93 0.29 -1.14 0.00 0.00 176.83 175.83 1ukc n LYS 117 N -4.34 -1.82 -3.09 3.45 4.76 -1.02 -4.96 118.16 111.14 1ukc n LYS 117 Ca 0.07 0.44 -0.35 0.00 -2.87 0.00 0.00 58.31 55.61 1ukc n LYS 117 Cb 0.12 -4.21 -0.06 0.00 -1.84 0.00 0.00 35.03 29.03 1ukc n LYS 117 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ukc s LEU 118 N -6.61 4.24 0.26 -0.35 1.43 0.19 -4.39 118.68 113.45 1ukc s LEU 118 Ca 0.35 1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 1ukc s LEU 118 Cb -0.13 -3.79 -0.14 0.00 0.03 0.00 0.00 46.19 42.15 1ukc s LEU 118 CO 0.87 -0.06 1.07 -2.65 0.23 0.00 0.00 176.35 175.80 1ukc n PRO 119 N 0.32 1.36 -4.63 1.29 -0.02 -1.26 -0.39 135.00 131.67 1ukc n PRO 119 Ca 0.00 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1ukc n PRO 119 Cb 0.52 -1.89 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 1ukc n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ukc s VAL 120 N -0.83 3.56 -0.32 -1.45 1.01 -0.34 -1.48 120.40 120.56 1ukc s VAL 120 Ca 0.62 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1ukc s VAL 120 Cb -0.73 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1ukc s VAL 120 CO 0.58 0.56 0.05 0.86 0.00 0.00 0.00 175.10 177.15 1ukc s TRP 121 N -0.33 3.29 -0.34 5.22 -0.11 0.25 -1.18 118.94 125.75 1ukc s TRP 121 Ca 0.04 -1.78 -0.08 0.00 1.22 0.00 0.00 56.10 55.50 1ukc s TRP 121 Cb -0.13 -2.27 0.03 0.00 -1.50 0.00 0.00 33.47 29.61 1ukc s TRP 121 CO 0.02 -0.80 0.14 -1.17 -4.62 0.00 0.00 176.95 170.52 1ukc s LEU 122 N 1.29 4.37 -0.20 5.86 2.96 0.01 -0.83 118.68 132.14 1ukc s LEU 122 Ca -0.03 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 52.77 1ukc s LEU 122 Cb -0.20 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1ukc s LEU 122 CO -0.00 -0.32 0.17 0.12 -1.32 0.00 0.00 176.35 175.00 1ukc s PHE 123 N 1.48 3.40 -0.30 5.38 5.36 0.22 -0.29 117.98 133.23 1ukc s PHE 123 Ca 0.00 0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 56.30 1ukc s PHE 123 Cb -0.19 -2.22 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1ukc s PHE 123 CO 0.04 0.23 0.03 0.42 -1.46 0.00 0.00 175.22 174.48 1ukc s ILE 124 N 0.54 3.35 0.84 3.12 1.01 0.18 -4.23 121.20 126.00 1ukc s ILE 124 Ca 0.10 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 1ukc s ILE 124 Cb -0.12 -2.84 0.10 0.00 0.01 0.00 0.00 42.46 39.61 1ukc s ILE 124 CO 0.00 -0.03 1.10 0.00 0.00 0.00 0.00 174.94 176.01 1ukc s GLN 125 N 1.35 1.67 0.00 2.79 -2.07 -1.26 -1.88 119.66 120.26 1ukc s GLN 125 Ca -0.02 1.07 0.00 0.00 -1.82 0.00 0.00 55.36 54.60 1ukc s GLN 125 Cb -0.19 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 29.90 1ukc s GLN 125 CO -0.00 -2.03 0.00 0.41 -1.32 0.00 0.00 175.29 172.35 1ukc n GLY 126 N -0.97 2.85 0.00 2.60 0.00 -1.18 -3.07 105.19 105.42 1ukc n GLY 126 Ca 0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1ukc n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 127 N 5.00 1.39 2.41 -0.02 0.00 -1.26 -0.54 105.19 112.18 1ukc n GLY 127 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ukc n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 128 N 0.00 1.16 2.73 -0.02 0.00 -1.26 -1.16 105.19 106.64 1ukc n GLY 128 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 1ukc n GLY 128 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ukc n TYR 129 N -2.59 0.00 -0.05 1.61 4.01 -1.26 -4.82 117.16 114.06 1ukc n TYR 129 Ca -0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.58 1ukc n TYR 129 Cb 0.40 -1.69 -0.08 0.00 -0.31 0.00 0.00 39.34 37.66 1ukc n TYR 129 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ukc n ALA 130 N 1.04 1.74 -2.17 -0.72 0.00 -0.30 -0.89 120.51 119.20 1ukc n ALA 130 Ca -0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 1ukc n ALA 130 Cb 0.40 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1ukc n ALA 130 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ukc s GLU 131 N -2.25 0.90 -0.67 0.00 0.41 -0.31 -0.91 118.70 115.87 1ukc s GLU 131 Ca -0.07 -1.40 -0.21 0.00 -0.41 0.00 0.00 54.97 52.88 1ukc s GLU 131 Cb 0.03 0.24 0.09 0.00 -1.78 0.00 0.00 34.13 32.72 1ukc s GLU 131 CO 0.41 -0.25 0.89 -0.80 -0.49 0.00 0.00 175.26 175.02 1ukc s ASN 132 N -3.03 6.24 0.00 -0.19 0.01 -1.26 -4.07 114.94 112.64 1ukc s ASN 132 Ca 0.22 -1.30 0.18 0.00 -0.71 0.00 0.00 52.86 51.24 1ukc s ASN 132 Cb 0.07 -2.37 0.16 0.00 0.41 0.00 0.00 41.25 39.52 1ukc s ASN 132 CO 0.00 -1.27 1.08 -1.20 -1.51 0.00 0.00 177.10 174.21 1ukc n SER 133 N 7.02 2.54 -2.58 -1.22 7.64 0.30 -4.47 113.62 122.86 1ukc n SER 133 Ca -0.02 -1.76 -0.15 0.00 1.01 0.00 0.00 58.87 57.95 1ukc n SER 133 Cb 0.45 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1ukc n SER 133 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ukc n ASN 134 N 1.01 2.73 -4.87 6.43 4.13 -1.25 -4.87 115.26 118.57 1ukc n ASN 134 Ca 0.11 -3.04 -0.31 0.00 1.68 0.00 0.00 54.58 53.02 1ukc n ASN 134 Cb 0.45 -0.49 -0.04 0.00 -1.54 0.00 0.00 39.78 38.16 1ukc n ASN 134 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ukc s ALA 135 N -3.35 3.36 -1.38 5.41 0.00 -1.26 -4.36 121.76 120.17 1ukc s ALA 135 Ca 0.35 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 1ukc s ALA 135 Cb 0.42 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.85 1ukc s ALA 135 CO -0.04 0.14 0.61 0.09 0.00 0.00 0.00 175.76 176.56 1ukc n ASN 136 N -0.92 -5.72 -4.77 0.00 3.02 -1.26 -4.95 115.26 100.65 1ukc n ASN 136 Ca 0.03 -0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 53.91 1ukc n ASN 136 Cb 0.54 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.15 1ukc n ASN 136 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ukc s TYR 137 N -3.14 3.26 -0.15 3.10 1.51 -1.26 -4.95 117.35 115.72 1ukc s TYR 137 Ca 0.30 1.61 -0.23 0.00 -1.01 0.00 0.00 57.07 57.75 1ukc s TYR 137 Cb -0.13 -3.29 -0.03 0.00 -0.11 0.00 0.00 41.96 38.39 1ukc s TYR 137 CO 0.38 -0.93 0.70 1.21 -1.11 0.00 0.00 175.55 175.80 1ukc s ASN 138 N -1.18 6.85 0.00 2.29 3.84 -0.25 -4.96 114.94 121.54 1ukc s ASN 138 Ca 0.54 1.03 0.21 0.00 0.21 0.00 0.00 52.86 54.86 1ukc s ASN 138 Cb -0.29 -2.39 0.72 0.00 -0.55 0.00 0.00 41.25 38.73 1ukc s ASN 138 CO 0.36 -0.25 1.53 0.61 -2.79 0.00 0.00 177.10 176.56 1ukc n GLY 139 N 3.48 0.44 0.15 1.21 0.00 -1.26 -4.55 105.19 104.65 1ukc n GLY 139 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1ukc n GLY 139 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ukc h THR 140 N 2.52 1.06 -0.50 2.61 2.02 -1.92 -2.17 112.91 116.53 1ukc h THR 140 Ca 0.00 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1ukc h THR 140 Cb 0.55 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1ukc h THR 140 CO 0.00 0.08 -0.08 1.56 0.37 0.00 0.00 175.52 177.44 1ukc h GLN 141 N 0.41 0.93 -0.46 6.66 4.20 -1.82 -1.15 115.11 123.89 1ukc h GLN 141 Ca 0.12 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 1ukc h GLN 141 Cb -0.02 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1ukc h GLN 141 CO -0.05 1.00 -0.01 -0.39 -0.67 0.00 0.00 178.83 178.71 1ukc h VAL 142 N 0.79 1.24 -0.24 -0.54 -1.51 -1.74 0.59 116.25 114.83 1ukc h VAL 142 Ca 0.13 -0.98 -0.04 0.00 -1.23 0.00 0.00 66.70 64.58 1ukc h VAL 142 Cb 0.63 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1ukc h VAL 142 CO 0.04 0.34 -0.01 0.40 -1.23 0.00 0.00 177.57 177.12 1ukc h ILE 143 N 0.70 1.26 -0.63 7.19 2.04 -1.07 -1.45 117.51 125.56 1ukc h ILE 143 Ca 0.14 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1ukc h ILE 143 Cb 0.44 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1ukc h ILE 143 CO 0.02 0.29 0.38 1.56 0.00 0.00 0.00 178.15 180.40 1ukc h GLN 144 N 0.21 0.85 -0.02 2.37 4.20 -1.05 0.16 115.11 121.82 1ukc h GLN 144 Ca 0.07 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1ukc h GLN 144 Cb 0.43 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1ukc h GLN 144 CO 0.01 0.61 -0.16 0.00 -0.67 0.00 0.00 178.83 178.63 1ukc h ALA 145 N 1.19 1.69 0.00 3.87 0.00 -0.71 -1.47 119.26 123.83 1ukc h ALA 145 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ukc h ALA 145 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ukc h ALA 145 CO -0.04 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1ukc n SER 146 N -4.33 0.00 -1.49 0.00 3.41 -0.56 -4.86 113.62 105.79 1ukc n SER 146 Ca -0.02 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 1ukc n SER 146 Cb 0.24 -0.33 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1ukc n SER 146 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ukc n ASP 147 N -1.33 -3.59 -2.12 4.04 2.03 -0.55 -4.20 116.55 110.82 1ukc n ASP 147 Ca 0.08 -0.13 -0.13 0.00 0.52 0.00 0.00 54.79 55.14 1ukc n ASP 147 Cb 0.17 -2.50 0.04 0.00 -0.72 0.00 0.00 41.12 38.11 1ukc n ASP 147 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ukc n ASP 148 N -0.16 -4.31 -1.22 1.67 9.92 0.01 -4.94 116.55 117.52 1ukc n ASP 148 Ca -0.05 -0.28 0.04 0.00 -0.53 0.00 0.00 54.79 53.97 1ukc n ASP 148 Cb 0.55 -2.88 0.05 0.00 -0.64 0.00 0.00 41.12 38.21 1ukc n ASP 148 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ukc n VAL 149 N -3.82 0.39 -4.24 2.53 0.24 -1.26 -4.77 118.33 107.39 1ukc n VAL 149 Ca 0.01 -1.27 -0.13 0.00 -2.04 0.00 0.00 64.34 60.90 1ukc n VAL 149 Cb 0.53 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.53 1ukc n VAL 149 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1ukc s ILE 150 N -0.57 0.79 -0.03 1.34 -4.36 -1.26 -4.10 121.20 113.00 1ukc s ILE 150 Ca 0.31 -1.99 0.06 0.00 -0.26 0.00 0.00 60.65 58.77 1ukc s ILE 150 Cb 0.34 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 1ukc s ILE 150 CO -0.13 -0.58 -0.23 -0.69 0.24 0.00 0.00 174.94 173.55 1ukc s VAL 151 N -3.58 1.86 -0.04 8.37 1.01 -0.55 -4.28 120.40 123.19 1ukc s VAL 151 Ca 0.21 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1ukc s VAL 151 Cb 0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1ukc s VAL 151 CO 0.02 0.52 -0.22 0.12 0.00 0.00 0.00 175.10 175.54 1ukc s PHE 152 N -0.35 2.09 -0.03 5.22 5.36 -0.53 -0.58 117.98 129.17 1ukc s PHE 152 Ca 0.03 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 1ukc s PHE 152 Cb -0.11 -1.37 0.01 0.00 -0.34 0.00 0.00 43.02 41.21 1ukc s PHE 152 CO 0.01 -0.14 -0.07 0.08 -1.46 0.00 0.00 175.22 173.65 1ukc s VAL 153 N -0.24 0.63 0.24 3.12 1.01 -0.01 -0.46 120.40 124.68 1ukc s VAL 153 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1ukc s VAL 153 Cb -0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1ukc s VAL 153 CO 0.02 0.22 0.03 0.42 0.00 0.00 0.00 175.10 175.79 1ukc s THR 154 N 0.44 0.85 0.01 3.92 -4.23 -0.49 -0.61 115.64 115.54 1ukc s THR 154 Ca -0.06 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.15 1ukc s THR 154 Cb -0.10 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.40 1ukc s THR 154 CO 0.00 -0.22 0.99 0.72 -0.54 0.00 0.00 174.62 175.57 1ukc s PHE 155 N -3.54 -0.23 0.12 3.99 -0.71 -1.26 -0.68 117.98 115.66 1ukc s PHE 155 Ca 0.31 0.06 0.05 0.00 -1.04 0.00 0.00 56.93 56.31 1ukc s PHE 155 Cb 0.07 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 1ukc s PHE 155 CO 0.10 -0.55 0.05 -0.80 -1.34 0.00 0.00 175.22 172.68 1ukc s ASN 156 N -2.62 5.22 0.04 1.98 0.02 -0.68 -4.68 114.94 114.23 1ukc s ASN 156 Ca 0.08 -0.16 -0.00 0.00 -1.02 0.00 0.00 52.86 51.77 1ukc s ASN 156 Cb -0.01 -1.30 -0.03 0.00 0.02 0.00 0.00 41.25 39.93 1ukc s ASN 156 CO -0.05 0.14 -0.03 -0.72 0.02 0.00 0.00 177.10 176.46 1ukc s TYR 157 N -1.48 0.46 0.57 2.20 -0.85 -1.26 -4.38 117.35 112.61 1ukc s TYR 157 Ca 0.28 -0.86 -0.18 0.00 -0.52 0.00 0.00 57.07 55.80 1ukc s TYR 157 Cb -0.11 -0.33 -0.05 0.00 0.38 0.00 0.00 41.96 41.85 1ukc s TYR 157 CO 0.20 -0.29 1.10 1.03 -1.52 0.00 0.00 175.55 176.07 1ukc s ARG 158 N -2.99 3.29 0.30 -3.49 0.52 -1.26 -4.74 118.95 110.58 1ukc s ARG 158 Ca -0.01 1.45 -0.03 0.00 -0.52 0.00 0.00 55.73 56.62 1ukc s ARG 158 Cb 0.01 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 1ukc s ARG 158 CO -0.06 -0.87 0.40 0.14 0.02 0.00 0.00 175.30 174.93 1ukc s VAL 159 N -2.05 0.00 0.00 3.52 -7.23 -1.26 -4.21 120.40 109.17 1ukc s VAL 159 Ca 0.69 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1ukc s VAL 159 Cb -0.21 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1ukc s VAL 159 CO 0.31 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1ukc n GLY 160 N -0.50 1.36 0.35 2.32 0.00 -0.07 -1.75 105.19 106.90 1ukc n GLY 160 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.54 1ukc n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukc h ALA 161 N -0.66 1.56 0.00 4.61 0.00 -1.91 0.32 119.26 123.18 1ukc h ALA 161 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ukc h ALA 161 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ukc h ALA 161 CO 0.00 0.36 -0.43 -0.07 0.00 0.00 0.00 179.25 179.12 1ukc h LEU 162 N 0.91 0.00 0.00 0.00 3.38 -1.85 -1.87 115.31 115.88 1ukc h LEU 162 Ca 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 1ukc h LEU 162 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ukc h LEU 162 CO -0.08 0.43 -1.97 0.61 0.09 0.00 0.00 178.44 177.51 1ukc n GLY 163 N -0.16 -1.06 0.92 0.83 0.00 -0.72 -4.39 105.19 100.61 1ukc n GLY 163 Ca -0.01 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1ukc n GLY 163 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ukc n PHE 164 N -2.56 0.00 -1.84 1.61 3.72 0.05 -0.89 117.46 117.55 1ukc n PHE 164 Ca -0.14 -0.57 -0.42 0.00 -0.05 0.00 0.00 57.45 56.27 1ukc n PHE 164 Cb 0.81 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1ukc n PHE 164 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ukc s LEU 165 N -0.82 4.36 -0.08 4.37 2.96 -0.71 -4.39 118.68 124.38 1ukc s LEU 165 Ca 0.25 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1ukc s LEU 165 Cb 0.26 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.36 1ukc s LEU 165 CO -0.08 -0.88 -0.06 0.00 -1.32 0.00 0.00 176.35 174.00 1ukc s ALA 166 N 0.61 1.01 -0.12 5.97 0.00 -1.26 -4.54 121.76 123.43 1ukc s ALA 166 Ca 0.68 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1ukc s ALA 166 Cb -0.47 -0.68 0.12 0.00 0.00 0.00 0.00 23.12 22.10 1ukc s ALA 166 CO 0.39 -0.21 1.01 0.45 0.00 0.00 0.00 175.76 177.40 1ukc s SER 167 N 1.33 -0.32 0.35 0.00 0.15 -1.26 -4.33 113.70 109.62 1ukc s SER 167 Ca -0.03 0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.91 1ukc s SER 167 Cb -0.14 0.29 0.83 0.00 -1.71 0.00 0.00 66.02 65.30 1ukc s SER 167 CO -0.03 -0.40 1.85 -0.33 1.20 0.00 0.00 173.24 175.53 1ukc h GLU 168 N 2.27 0.66 -0.32 5.44 3.07 -1.98 -1.84 114.58 121.87 1ukc h GLU 168 Ca -0.18 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.59 1ukc h GLU 168 Cb 1.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 1ukc h GLU 168 CO 0.29 0.43 -0.05 0.87 -1.40 0.00 0.00 179.01 179.16 1ukc h LYS 169 N 0.68 0.52 0.06 2.33 1.57 -1.99 0.41 116.57 120.16 1ukc h LYS 169 Ca 0.48 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1ukc h LYS 169 Cb 0.82 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1ukc h LYS 169 CO -0.24 0.59 -0.03 0.28 -0.57 0.00 0.00 179.45 179.48 1ukc h VAL 170 N 0.49 1.03 0.00 0.50 2.07 -1.69 -3.10 116.25 115.55 1ukc h VAL 170 Ca 0.10 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1ukc h VAL 170 Cb 0.40 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1ukc h VAL 170 CO 0.02 0.08 -0.22 -0.09 0.02 0.00 0.00 177.57 177.38 1ukc h ARG 171 N -0.22 0.00 0.00 1.57 2.43 -1.03 0.78 114.38 117.91 1ukc h ARG 171 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ukc h ARG 171 Cb 0.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ukc h ARG 171 CO 0.01 0.22 -0.18 1.96 -1.51 0.00 0.00 179.97 180.48 1ukc h GLN 172 N 0.00 0.00 -0.95 0.20 4.20 -0.93 -3.38 115.11 114.25 1ukc h GLN 172 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 1ukc h GLN 172 Cb 0.52 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.04 1ukc h GLN 172 CO 0.03 0.02 -0.80 -1.71 -0.67 0.00 0.00 178.83 175.70 1ukc n ASN 173 N -3.04 -1.00 0.00 1.46 5.15 -0.94 -5.09 115.26 111.80 1ukc n ASN 173 Ca 0.03 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 1ukc n ASN 173 Cb 0.54 0.71 0.00 0.00 -0.53 0.00 0.00 39.78 40.50 1ukc n ASN 173 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ukc n GLY 174 N 0.64 -0.17 3.13 8.20 0.00 0.23 -4.85 105.19 112.37 1ukc n GLY 174 Ca 0.15 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1ukc n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukc s ASP 175 N -4.00 -0.28 0.67 1.61 1.11 -0.86 -4.49 116.67 110.44 1ukc s ASP 175 Ca 0.00 0.54 -0.12 0.00 0.18 0.00 0.00 52.55 53.14 1ukc s ASP 175 Cb 0.00 0.51 -0.00 0.00 1.07 0.00 0.00 42.92 44.50 1ukc s ASP 175 CO 0.00 -0.11 1.06 -0.76 1.18 0.00 0.00 175.17 176.54 1ukc s LEU 176 N 0.42 3.24 -1.58 1.23 1.43 -1.26 -3.98 118.68 118.18 1ukc s LEU 176 Ca -0.02 1.70 -0.15 0.00 -1.03 0.00 0.00 54.13 54.62 1ukc s LEU 176 Cb -0.04 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.78 1ukc s LEU 176 CO -0.02 -1.42 0.94 0.59 0.23 0.00 0.00 176.35 176.68 1ukc n ASN 177 N -2.83 -4.48 -0.35 2.29 3.02 -1.26 -4.83 115.26 106.82 1ukc n ASN 177 Ca 0.08 -0.84 0.12 0.00 -0.03 0.00 0.00 54.58 53.92 1ukc n ASN 177 Cb 0.53 -3.61 0.31 0.00 -0.61 0.00 0.00 39.78 36.40 1ukc n ASN 177 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukc h ALA 178 N 0.96 1.65 -0.92 5.41 0.00 -1.44 -1.19 119.26 123.72 1ukc h ALA 178 Ca -0.58 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ukc h ALA 178 Cb 1.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1ukc h ALA 178 CO 0.70 -0.01 0.56 0.78 0.00 0.00 0.00 179.25 181.28 1ukc h GLY 179 N 0.80 1.33 1.42 0.00 0.00 -1.18 0.11 103.07 105.54 1ukc h GLY 179 Ca 0.57 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1ukc h GLY 179 CO -0.37 0.53 -0.48 1.41 0.00 0.00 0.00 176.54 177.63 1ukc h LEU 180 N 1.26 0.68 -1.38 3.11 3.38 -1.53 -2.85 115.31 117.98 1ukc h LEU 180 Ca 0.33 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ukc h LEU 180 Cb -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1ukc h LEU 180 CO -0.06 1.05 -0.01 -0.07 0.09 0.00 0.00 178.44 179.44 1ukc h LEU 181 N 0.49 0.36 -0.33 1.67 3.38 -0.55 -0.63 115.31 119.71 1ukc h LEU 181 Ca 0.02 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ukc h LEU 181 Cb 1.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1ukc h LEU 181 CO 0.10 0.44 0.14 0.44 0.09 0.00 0.00 178.44 179.64 1ukc h ASP 182 N 0.38 0.19 -0.77 -0.43 3.32 -0.64 -0.86 116.42 117.61 1ukc h ASP 182 Ca 0.09 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1ukc h ASP 182 Cb 0.27 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1ukc h ASP 182 CO 0.01 0.15 0.50 1.56 -1.72 0.00 0.00 179.24 179.73 1ukc h GLN 183 N 0.31 0.95 -0.51 3.56 4.20 -1.06 -0.23 115.11 122.32 1ukc h GLN 183 Ca 0.14 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1ukc h GLN 183 Cb 0.08 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 1ukc h GLN 183 CO -0.12 0.63 0.26 0.00 -0.67 0.00 0.00 178.83 178.93 1ukc h ARG 184 N 0.97 0.50 -0.64 1.46 2.47 -0.79 0.39 114.38 118.74 1ukc h ARG 184 Ca 0.31 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 59.01 1ukc h ARG 184 Cb -0.01 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.16 1ukc h ARG 184 CO -0.10 0.33 0.41 -0.22 0.56 0.00 0.00 179.97 180.94 1ukc h LYS 185 N 0.52 0.79 -0.43 0.04 1.63 -0.46 -1.22 116.57 117.44 1ukc h LYS 185 Ca 0.22 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1ukc h LYS 185 Cb 0.11 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1ukc h LYS 185 CO -0.15 0.52 0.10 0.00 -3.45 0.00 0.00 179.45 176.48 1ukc h ALA 186 N 1.26 0.57 -0.66 5.00 0.00 -0.55 0.12 119.26 125.00 1ukc h ALA 186 Ca 0.25 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1ukc h ALA 186 Cb -0.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1ukc h ALA 186 CO -0.08 0.26 0.33 -0.07 0.00 0.00 0.00 179.25 179.69 1ukc h LEU 187 N 0.56 0.45 -0.84 0.00 4.07 -0.72 -1.31 115.31 117.52 1ukc h LEU 187 Ca 0.13 0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.02 1ukc h LEU 187 Cb 0.33 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1ukc h LEU 187 CO 0.00 0.28 -0.44 0.03 -1.08 0.00 0.00 178.44 177.23 1ukc h ARG 188 N 0.59 0.30 -0.30 1.13 3.08 -0.98 -1.89 114.38 116.32 1ukc h ARG 188 Ca 0.31 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ukc h ARG 188 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1ukc h ARG 188 CO -0.23 0.69 0.18 2.35 -1.07 0.00 0.00 179.97 181.89 1ukc h TRP 189 N 0.25 0.39 -0.21 3.04 7.01 -0.15 -0.33 115.95 125.95 1ukc h TRP 189 Ca 0.02 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1ukc h TRP 189 Cb 0.88 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 1ukc h TRP 189 CO 0.02 0.29 0.13 0.28 -2.79 0.00 0.00 178.44 176.37 1ukc h VAL 190 N 0.38 1.07 -0.53 2.65 2.07 -1.16 0.12 116.25 120.86 1ukc h VAL 190 Ca 0.11 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1ukc h VAL 190 Cb 0.01 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1ukc h VAL 190 CO -0.02 0.07 0.20 0.50 0.02 0.00 0.00 177.57 178.34 1ukc h LYS 191 N 0.27 0.37 -0.10 1.57 1.63 -1.15 -0.14 116.57 119.01 1ukc h LYS 191 Ca 0.08 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.67 1ukc h LYS 191 Cb -0.00 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1ukc h LYS 191 CO -0.02 0.25 -0.71 0.37 -3.45 0.00 0.00 179.45 175.89 1ukc h GLN 192 N 0.38 0.49 0.00 1.90 4.15 -0.77 -3.40 115.11 117.86 1ukc h GLN 192 Ca 0.26 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1ukc h GLN 192 Cb 0.28 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1ukc h GLN 192 CO -0.25 1.01 -0.95 0.66 -1.93 0.00 0.00 178.83 177.37 1ukc n TYR 193 N -3.87 0.00 0.30 3.99 4.01 0.39 -4.72 117.16 117.26 1ukc n TYR 193 Ca -0.05 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.87 1ukc n TYR 193 Cb 0.70 -0.08 0.94 0.00 -0.31 0.00 0.00 39.34 40.59 1ukc n TYR 193 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1ukc h ILE 194 N 0.00 0.24 -0.73 -0.72 6.09 -1.19 -1.56 117.51 119.65 1ukc h ILE 194 Ca 0.00 -0.24 0.09 0.00 -1.37 0.00 0.00 64.86 63.34 1ukc h ILE 194 Cb 0.20 1.19 -0.05 0.00 0.47 0.00 0.00 36.82 38.63 1ukc h ILE 194 CO 0.00 0.03 0.48 -0.08 -3.07 0.00 0.00 178.15 175.51 1ukc h GLU 195 N 0.00 0.64 0.00 2.19 4.81 -1.80 -0.13 114.58 120.28 1ukc h GLU 195 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1ukc h GLU 195 Cb 0.18 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ukc h GLU 195 CO 0.00 0.42 -0.05 1.96 -0.73 0.00 0.00 179.01 180.62 1ukc h GLN 196 N 0.66 0.00 -0.62 1.92 1.08 -1.57 -1.99 115.11 114.58 1ukc h GLN 196 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1ukc h GLN 196 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1ukc h GLN 196 CO -0.12 0.05 0.00 1.19 -0.95 0.00 0.00 178.83 179.00 1ukc n PHE 197 N -3.22 1.06 -0.73 2.96 3.01 -0.22 -4.49 117.46 115.82 1ukc n PHE 197 Ca -0.01 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1ukc n PHE 197 Cb 0.25 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1ukc n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ukc n GLY 198 N 1.18 0.76 3.89 1.37 0.00 -0.75 -4.84 105.19 106.79 1ukc n GLY 198 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ukc n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukc s GLY 199 N -1.86 1.62 -0.40 -0.02 0.00 -0.29 -0.63 107.32 105.73 1ukc s GLY 199 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.31 1ukc s GLY 199 CO 0.00 -0.05 0.28 -0.35 0.00 0.00 0.00 173.10 172.98 1ukc s ASP 200 N -4.05 6.02 0.51 1.64 -1.08 0.47 -3.71 116.67 116.48 1ukc s ASP 200 Ca 0.52 -0.91 0.35 0.00 -0.52 0.00 0.00 52.55 51.98 1ukc s ASP 200 Cb -0.11 -2.13 1.76 0.00 -1.46 0.00 0.00 42.92 40.98 1ukc s ASP 200 CO 0.48 -0.43 2.05 1.55 0.52 0.00 0.00 175.17 179.34 1ukc h PRO 201 N 8.58 0.00 -0.44 4.34 0.13 -1.88 0.18 132.00 142.91 1ukc h PRO 201 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ukc h PRO 201 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ukc h PRO 201 CO 0.71 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 1ukc n ASP 202 N -2.79 2.61 -3.17 1.44 8.00 -1.26 -4.40 116.55 116.99 1ukc n ASP 202 Ca -0.01 -1.96 -0.20 0.00 0.71 0.00 0.00 54.79 53.33 1ukc n ASP 202 Cb 0.13 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 1ukc n ASP 202 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1ukc n HIS 203 N 0.93 0.54 -3.96 1.24 -0.00 0.63 -4.85 115.22 109.74 1ukc n HIS 203 Ca 0.17 -3.81 -0.35 0.00 0.46 0.00 0.00 57.72 54.19 1ukc n HIS 203 Cb 0.43 -0.42 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 1ukc n HIS 203 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1ukc s ILE 204 N -2.47 4.90 -0.18 3.57 1.01 -1.25 -1.19 121.20 125.59 1ukc s ILE 204 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.03 1ukc s ILE 204 Cb 0.32 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1ukc s ILE 204 CO -0.09 0.46 -0.08 -0.69 0.00 0.00 0.00 174.94 174.54 1ukc s VAL 205 N 0.32 3.27 0.03 2.92 1.01 -0.32 -0.00 120.40 127.63 1ukc s VAL 205 Ca 0.04 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1ukc s VAL 205 Cb -0.12 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 1ukc s VAL 205 CO -0.00 0.48 0.60 0.27 0.00 0.00 0.00 175.10 176.45 1ukc s ILE 206 N 0.90 4.81 -0.18 2.22 -4.36 -0.91 -0.81 121.20 122.87 1ukc s ILE 206 Ca -0.02 1.28 -0.00 0.00 -0.26 0.00 0.00 60.65 61.65 1ukc s ILE 206 Cb -0.15 -3.94 0.05 0.00 1.25 0.00 0.00 42.46 39.67 1ukc s ILE 206 CO 0.00 0.47 -0.05 -2.28 0.24 0.00 0.00 174.94 173.33 1ukc s HIS 207 N -0.55 1.78 -0.06 1.37 2.46 0.60 0.13 115.29 121.03 1ukc s HIS 207 Ca 0.31 -1.20 0.02 0.00 0.47 0.00 0.00 55.06 54.67 1ukc s HIS 207 Cb -0.19 -1.35 -0.03 0.00 -0.13 0.00 0.00 32.58 30.89 1ukc s HIS 207 CO 0.19 -0.65 -0.11 0.20 -2.47 0.00 0.00 174.74 171.90 1ukc s GLY 208 N 1.60 1.61 -0.09 1.59 0.00 -0.33 0.49 107.32 112.18 1ukc s GLY 208 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.80 1ukc s GLY 208 CO -0.07 -0.72 -0.18 0.54 0.00 0.00 0.00 173.10 172.67 1ukc s VAL 209 N -0.76 2.70 0.00 1.40 0.11 -0.79 -0.90 120.40 122.16 1ukc s VAL 209 Ca 0.12 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1ukc s VAL 209 Cb -0.11 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1ukc s VAL 209 CO 0.01 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.10 1ukc n SER 210 N 3.08 0.00 0.26 3.54 2.88 -0.40 0.05 113.62 123.02 1ukc n SER 210 Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.51 1ukc n SER 210 Cb 0.52 0.00 0.84 0.00 -0.75 0.00 0.00 64.21 64.82 1ukc n SER 210 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ukc h ALA 211 N -0.91 1.71 0.00 -1.46 0.00 -1.85 0.35 119.26 117.09 1ukc h ALA 211 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ukc h ALA 211 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ukc h ALA 211 CO 0.00 -0.08 -0.39 0.78 0.00 0.00 0.00 179.25 179.55 1ukc h GLY 212 N 0.00 0.00 1.39 0.00 0.00 -0.31 0.08 103.07 104.23 1ukc h GLY 212 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.10 1ukc h GLY 212 CO -0.00 0.00 -1.08 0.00 0.00 0.00 0.00 176.54 175.46 1ukc h ALA 213 N 1.61 0.18 -0.70 3.60 0.00 -0.28 -0.85 119.26 122.82 1ukc h ALA 213 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ukc h ALA 213 Cb 0.82 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ukc h ALA 213 CO 0.05 0.77 0.45 0.78 0.00 0.00 0.00 179.25 181.30 1ukc h GLY 214 N 0.82 1.00 0.73 0.00 0.00 -1.11 -2.47 103.07 102.04 1ukc h GLY 214 Ca -0.13 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 46.87 1ukc h GLY 214 CO 0.20 0.38 0.57 1.76 0.00 0.00 0.00 176.54 179.45 1ukc h SER 215 N 0.95 0.90 -0.99 0.19 0.02 -0.85 -1.39 113.55 112.38 1ukc h SER 215 Ca 0.25 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1ukc h SER 215 Cb -0.08 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 1ukc h SER 215 CO -0.05 0.58 0.66 0.58 -1.14 0.00 0.00 176.83 177.45 1ukc h VAL 216 N 1.04 1.24 -0.96 2.27 2.07 -0.81 0.22 116.25 121.33 1ukc h VAL 216 Ca 0.39 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1ukc h VAL 216 Cb 0.17 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.68 1ukc h VAL 216 CO -0.17 0.24 0.63 0.00 0.02 0.00 0.00 177.57 178.29 1ukc h ALA 217 N 1.39 1.21 -0.55 1.67 0.00 -0.84 0.16 119.26 122.29 1ukc h ALA 217 Ca 0.37 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ukc h ALA 217 Cb -0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.25 1ukc h ALA 217 CO -0.08 0.60 -0.02 1.88 0.00 0.00 0.00 179.25 181.63 1ukc h TYR 218 N 1.29 1.04 -0.53 0.00 0.05 -0.21 -1.70 116.97 116.92 1ukc h TYR 218 Ca 0.35 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.87 1ukc h TYR 218 Cb -0.14 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.30 1ukc h TYR 218 CO -0.00 0.94 -0.02 0.45 -1.05 0.00 0.00 178.16 178.48 1ukc h HIS 219 N 0.88 0.99 -0.71 4.88 3.86 0.05 0.76 115.15 125.85 1ukc h HIS 219 Ca 0.16 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1ukc h HIS 219 Cb 0.54 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1ukc h HIS 219 CO 0.03 0.90 0.22 -0.07 0.86 0.00 0.00 177.93 179.87 1ukc h LEU 220 N 0.84 1.05 -2.94 2.43 3.38 -0.62 -3.18 115.31 116.27 1ukc h LEU 220 Ca 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ukc h LEU 220 Cb 0.53 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ukc h LEU 220 CO 0.03 0.98 0.00 -1.54 0.09 0.00 0.00 178.44 178.00 1ukc n SER 221 N -4.28 4.43 -4.70 -0.43 3.41 -0.65 -0.72 113.62 110.68 1ukc n SER 221 Ca 0.05 -2.25 -0.43 0.00 -0.26 0.00 0.00 58.87 55.98 1ukc n SER 221 Cb 0.23 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1ukc n SER 221 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukc n ALA 222 N 1.38 2.17 -1.63 7.33 0.00 0.24 -1.25 120.51 128.76 1ukc n ALA 222 Ca 0.25 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.87 1ukc n ALA 222 Cb 0.78 -2.50 -0.08 0.00 0.00 0.00 0.00 19.45 17.64 1ukc n ALA 222 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ukc n TYR 223 N 4.50 -0.06 -0.37 0.00 4.01 -0.50 -1.08 117.16 123.66 1ukc n TYR 223 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1ukc n TYR 223 Cb 0.34 -3.46 0.00 0.00 -0.31 0.00 0.00 39.34 35.91 1ukc n TYR 223 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ukc n GLY 224 N -0.40 0.71 0.00 2.72 0.00 -0.38 -4.61 105.19 103.23 1ukc n GLY 224 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ukc n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 225 N -2.08 1.21 3.76 -0.02 0.00 -0.24 -3.90 105.19 103.92 1ukc n GLY 225 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ukc n GLY 225 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ukc s LYS 226 N -0.42 4.30 -0.45 1.61 2.20 -1.25 -3.64 119.74 122.08 1ukc s LYS 226 Ca 0.00 2.27 -0.29 0.00 -0.36 0.00 0.00 55.97 57.59 1ukc s LYS 226 Cb 0.00 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1ukc s LYS 226 CO 0.00 -0.33 1.15 0.34 -0.36 0.00 0.00 175.35 176.15 1ukc s ASP 227 N 0.02 6.65 0.00 1.43 -1.08 -1.26 -4.86 116.67 117.58 1ukc s ASP 227 Ca 0.55 0.58 0.27 0.00 -0.52 0.00 0.00 52.55 53.43 1ukc s ASP 227 Cb -0.41 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.49 1ukc s ASP 227 CO 0.48 -1.22 1.71 -0.62 0.52 0.00 0.00 175.17 176.04 1ukc n GLU 228 N 7.73 1.70 -1.37 4.34 -0.58 -1.26 -4.94 120.64 126.26 1ukc n GLU 228 Ca 0.12 -1.02 -0.02 0.00 -0.42 0.00 0.00 57.16 55.82 1ukc n GLU 228 Cb 0.49 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1ukc n GLU 228 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukc n GLY 229 N 1.18 0.47 0.17 0.62 0.00 -1.26 -4.94 105.19 101.43 1ukc n GLY 229 Ca 0.19 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1ukc n GLY 229 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ukc h LEU 230 N 0.00 0.00 -7.00 0.99 3.38 -1.92 -3.48 115.31 107.28 1ukc h LEU 230 Ca -0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1ukc h LEU 230 Cb 0.43 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.03 1ukc h LEU 230 CO 0.07 0.00 0.20 0.72 0.09 0.00 0.00 178.44 179.52 1ukc s PHE 231 N -3.29 -0.60 -0.37 1.13 -0.12 -1.26 -4.73 117.98 108.75 1ukc s PHE 231 Ca 0.03 0.71 0.04 0.00 -0.05 0.00 0.00 56.93 57.67 1ukc s PHE 231 Cb 0.07 0.49 0.11 0.00 -0.63 0.00 0.00 43.02 43.06 1ukc s PHE 231 CO 0.73 -0.73 1.06 0.44 -0.05 0.00 0.00 175.22 176.67 1ukc n ILE 232 N 0.24 0.92 -3.60 -4.49 -5.35 1.00 -4.95 119.36 103.13 1ukc n ILE 232 Ca -0.18 -0.96 -0.04 0.00 -0.27 0.00 0.00 62.75 61.30 1ukc n ILE 232 Cb 0.61 0.55 -0.02 0.00 -1.74 0.00 0.00 39.64 39.04 1ukc n ILE 232 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ukc s GLY 233 N -0.95 -0.35 -0.08 3.28 0.00 -1.24 -4.17 107.32 103.81 1ukc s GLY 233 Ca 0.09 1.08 -0.06 0.00 0.00 0.00 0.00 44.72 45.83 1ukc s GLY 233 CO 0.06 0.33 0.20 0.00 0.00 0.00 0.00 173.10 173.69 1ukc s ALA 234 N -2.69 -0.47 -0.19 3.20 0.00 -0.70 -2.15 121.76 118.76 1ukc s ALA 234 Ca 0.10 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1ukc s ALA 234 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1ukc s ALA 234 CO -0.05 -0.13 0.01 0.42 0.00 0.00 0.00 175.76 176.01 1ukc s ILE 235 N 0.55 4.08 -0.51 0.00 1.01 0.12 -1.50 121.20 124.94 1ukc s ILE 235 Ca -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1ukc s ILE 235 Cb -0.05 -2.84 0.13 0.00 0.01 0.00 0.00 42.46 39.71 1ukc s ILE 235 CO -0.03 0.43 0.28 -0.69 0.00 0.00 0.00 174.94 174.94 1ukc s VAL 236 N 0.87 3.02 -0.48 2.92 1.01 0.10 -1.19 120.40 126.65 1ukc s VAL 236 Ca 0.01 -2.88 -0.16 0.00 0.00 0.00 0.00 61.98 58.96 1ukc s VAL 236 Cb -0.14 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.26 1ukc s VAL 236 CO 0.02 -0.78 0.42 -0.70 0.00 0.00 0.00 175.10 174.06 1ukc s GLU 237 N 0.16 2.98 -0.66 2.72 2.12 -0.08 -1.91 118.70 124.03 1ukc s GLU 237 Ca 0.15 -1.39 -0.06 0.00 0.36 0.00 0.00 54.97 54.03 1ukc s GLU 237 Cb -0.22 -4.16 0.01 0.00 0.26 0.00 0.00 34.13 30.02 1ukc s GLU 237 CO -0.03 -1.08 0.66 0.43 -0.54 0.00 0.00 175.26 174.71 1ukc n SER 238 N 5.23 -7.52 -4.39 -1.70 7.64 0.47 -1.28 113.62 112.08 1ukc n SER 238 Ca -0.13 0.01 -0.46 0.00 1.01 0.00 0.00 58.87 59.30 1ukc n SER 238 Cb 0.43 -4.90 -0.02 0.00 -1.01 0.00 0.00 64.21 58.71 1ukc n SER 238 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ukc n SER 239 N -1.41 -1.48 -3.70 6.43 7.64 -1.26 -2.49 113.62 117.34 1ukc n SER 239 Ca 0.00 1.04 -0.28 0.00 1.01 0.00 0.00 58.87 60.64 1ukc n SER 239 Cb 0.51 -0.97 -0.16 0.00 -1.01 0.00 0.00 64.21 62.58 1ukc n SER 239 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ukc s PHE 240 N -1.21 0.95 -0.60 1.43 5.36 -1.24 -4.12 117.98 118.55 1ukc s PHE 240 Ca 0.62 -0.90 0.04 0.00 -0.96 0.00 0.00 56.93 55.73 1ukc s PHE 240 Cb -0.82 -1.06 0.16 0.00 -0.34 0.00 0.00 43.02 40.97 1ukc s PHE 240 CO 0.58 -0.65 0.42 -1.58 -1.46 0.00 0.00 175.22 172.53 1ukc s TRP 241 N 1.88 2.85 0.99 10.12 0.52 0.24 -4.18 118.94 131.36 1ukc s TRP 241 Ca 0.01 -3.02 -0.17 0.00 0.02 0.00 0.00 56.10 52.95 1ukc s TRP 241 Cb -0.17 -2.24 0.23 0.00 -1.15 0.00 0.00 33.47 30.14 1ukc s TRP 241 CO -0.13 -0.64 1.35 -1.25 0.02 0.00 0.00 176.95 176.30 1ukc s PRO 242 N -0.88 0.35 0.26 4.98 0.04 -1.26 -4.69 135.00 133.79 1ukc s PRO 242 Ca 0.26 -0.55 -0.31 0.00 0.04 0.00 0.00 61.00 60.44 1ukc s PRO 242 Cb -0.06 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 1ukc s PRO 242 CO -0.15 -2.59 1.45 -2.37 0.04 0.00 0.00 177.00 173.38 1ukc n THR 243 N -3.86 0.99 -3.95 1.26 5.66 -1.26 -4.81 114.28 108.32 1ukc n THR 243 Ca 0.17 -0.25 -0.31 0.00 -3.05 0.00 0.00 64.05 60.61 1ukc n THR 243 Cb 0.59 -1.60 -0.14 0.00 -1.55 0.00 0.00 70.33 67.63 1ukc n THR 243 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1ukc s GLN 244 N -0.47 1.80 0.63 1.09 0.74 0.14 -4.82 119.66 118.77 1ukc s GLN 244 Ca 0.67 -2.23 -0.01 0.00 0.05 0.00 0.00 55.36 53.83 1ukc s GLN 244 Cb -0.61 -3.32 0.06 0.00 1.10 0.00 0.00 33.01 30.24 1ukc s GLN 244 CO 0.50 -1.04 0.88 1.03 -0.55 0.00 0.00 175.29 176.11 1ukc s ARG 245 N 0.36 2.27 0.68 1.67 0.52 -1.26 -4.66 118.95 118.53 1ukc s ARG 245 Ca 0.14 -0.70 -0.07 0.00 -0.52 0.00 0.00 55.73 54.58 1ukc s ARG 245 Cb -0.22 -2.37 0.04 0.00 0.52 0.00 0.00 34.95 32.92 1ukc s ARG 245 CO -0.04 -1.01 1.00 0.95 0.02 0.00 0.00 175.30 176.22 1ukc s THR 246 N -2.97 2.75 0.17 0.02 -4.23 -1.26 -2.00 115.64 108.11 1ukc s THR 246 Ca 0.60 -0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.87 1ukc s THR 246 Cb -0.09 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.64 1ukc s THR 246 CO 0.41 -0.19 1.79 0.58 -0.54 0.00 0.00 174.62 176.68 1ukc h VAL 247 N -0.52 0.99 -0.06 2.29 2.07 -1.97 -2.54 116.25 116.51 1ukc h VAL 247 Ca -0.45 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1ukc h VAL 247 Cb 1.29 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1ukc h VAL 247 CO 0.61 0.09 -0.26 0.77 0.02 0.00 0.00 177.57 178.81 1ukc h SER 248 N 0.50 0.10 0.60 0.57 4.64 -1.94 -1.02 113.55 117.00 1ukc h SER 248 Ca 0.20 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ukc h SER 248 Cb 0.08 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ukc h SER 248 CO -0.13 0.37 0.00 -0.62 -0.87 0.00 0.00 176.83 175.58 1ukc n GLU 249 N -4.20 0.02 -0.08 4.77 1.02 -0.98 -2.46 120.64 118.73 1ukc n GLU 249 Ca -0.02 0.19 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 1ukc n GLU 249 Cb 0.33 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1ukc n GLU 249 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ukc n MET 250 N -1.48 1.55 -0.34 3.49 2.81 -0.40 -4.60 117.12 118.14 1ukc n MET 250 Ca 0.05 -1.58 -0.03 0.00 -1.81 0.00 0.00 57.70 54.33 1ukc n MET 250 Cb 0.21 -1.26 0.09 0.00 -0.71 0.00 0.00 33.22 31.55 1ukc n MET 250 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ukc h GLU 251 N 2.36 1.22 -0.99 0.03 4.39 -1.27 -1.28 114.58 119.05 1ukc h GLU 251 Ca 0.00 -0.08 0.20 0.00 0.34 0.00 0.00 59.36 59.82 1ukc h GLU 251 Cb 0.61 -0.27 -0.10 0.00 -0.10 0.00 0.00 28.75 28.89 1ukc h GLU 251 CO 0.00 0.82 0.62 0.27 -1.16 0.00 0.00 179.01 179.55 1ukc h PHE 252 N 1.26 0.95 -0.11 4.33 -5.15 -1.81 -0.82 116.94 115.59 1ukc h PHE 252 Ca 0.34 0.03 -0.13 0.00 -0.20 0.00 0.00 57.97 58.00 1ukc h PHE 252 Cb -0.13 -0.29 0.01 0.00 0.22 0.00 0.00 35.95 35.76 1ukc h PHE 252 CO -0.01 0.21 -0.45 0.37 -2.00 0.00 0.00 178.31 176.43 1ukc h GLN 253 N 0.68 0.49 -0.53 6.09 4.15 -1.57 -1.73 115.11 122.69 1ukc h GLN 253 Ca 0.56 -0.39 0.03 0.00 0.77 0.00 0.00 58.65 59.62 1ukc h GLN 253 Cb 0.98 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.71 1ukc h GLN 253 CO -0.34 1.02 0.31 0.35 -1.93 0.00 0.00 178.83 178.24 1ukc h PHE 254 N 0.08 0.57 -0.65 3.99 3.57 -0.77 -0.43 116.94 123.32 1ukc h PHE 254 Ca -0.03 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1ukc h PHE 254 Cb 1.09 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1ukc h PHE 254 CO 0.11 0.32 0.10 0.93 -2.23 0.00 0.00 178.31 177.54 1ukc h GLU 255 N 0.61 1.07 -0.42 1.11 5.08 -1.14 0.05 114.58 120.94 1ukc h GLU 255 Ca 0.22 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1ukc h GLU 255 Cb 0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ukc h GLU 255 CO -0.11 0.99 0.05 -0.09 -1.00 0.00 0.00 179.01 178.85 1ukc h ARG 256 N 0.99 0.71 -0.21 2.33 2.43 -1.12 -0.79 114.38 118.72 1ukc h ARG 256 Ca 0.20 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ukc h ARG 256 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1ukc h ARG 256 CO 0.01 0.76 0.11 0.35 -1.51 0.00 0.00 179.97 179.69 1ukc h PHE 257 N 0.56 0.20 -0.64 2.20 3.57 -0.72 -0.22 116.94 121.89 1ukc h PHE 257 Ca 0.12 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1ukc h PHE 257 Cb 0.41 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1ukc h PHE 257 CO 0.03 0.12 0.33 0.28 -2.23 0.00 0.00 178.31 176.83 1ukc h VAL 258 N 0.23 0.91 0.13 1.41 2.07 -0.81 -1.92 116.25 118.27 1ukc h VAL 258 Ca 0.08 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ukc h VAL 258 Cb 0.02 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1ukc h VAL 258 CO -0.05 0.11 -0.09 0.78 0.02 0.00 0.00 177.57 178.33 1ukc h ASN 259 N 0.59 -0.23 0.22 0.57 4.21 -0.77 0.59 115.58 120.76 1ukc h ASN 259 Ca 0.30 0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.77 1ukc h ASN 259 Cb 0.25 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1ukc h ASN 259 CO -0.22 -0.15 -0.23 0.44 -1.29 0.00 0.00 177.43 175.99 1ukc h ASP 260 N -0.22 0.03 -0.23 5.81 3.32 -0.78 -2.13 116.42 122.22 1ukc h ASP 260 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ukc h ASP 260 Cb 0.19 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ukc h ASP 260 CO 0.00 0.27 0.00 0.35 -1.72 0.00 0.00 179.24 178.14 1ukc n THR 261 N -4.25 0.29 -1.76 0.35 -2.24 -0.74 -4.44 114.28 101.49 1ukc n THR 261 Ca -0.02 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1ukc n THR 261 Cb 0.30 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1ukc n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukc n GLY 262 N 1.10 0.37 0.78 3.38 0.00 -0.80 -4.92 105.19 105.11 1ukc n GLY 262 Ca 0.15 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.49 1ukc n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukc h SER 264 N 2.48 0.00 0.00 0.00 4.64 -1.83 -2.93 113.55 115.92 1ukc h SER 264 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ukc h SER 264 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1ukc h SER 264 CO 0.00 0.00 -0.13 -1.54 -0.87 0.00 0.00 176.83 174.29 1ukc n SER 265 N -2.92 2.25 -4.77 4.97 3.41 -1.26 -4.93 113.62 110.37 1ukc n SER 265 Ca 0.01 -1.67 -0.39 0.00 -0.26 0.00 0.00 58.87 56.56 1ukc n SER 265 Cb 0.30 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1ukc n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukc s ALA 266 N -2.15 3.24 0.01 7.33 0.00 -1.11 -4.98 121.76 124.11 1ukc s ALA 266 Ca 0.28 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 1ukc s ALA 266 Cb 0.20 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.81 1ukc s ALA 266 CO 0.39 -0.30 1.33 0.00 0.00 0.00 0.00 175.76 177.18 1ukc h ARG 267 N 3.07 0.17 -3.96 0.00 3.08 -1.91 -3.38 114.38 111.45 1ukc h ARG 267 Ca -0.48 -0.08 -0.77 0.00 0.07 0.00 0.00 59.98 58.72 1ukc h ARG 267 Cb 1.22 -0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.01 1ukc h ARG 267 CO 0.64 0.58 -0.08 0.34 -1.07 0.00 0.00 179.97 180.37 1ukc s ASP 268 N -5.86 6.40 0.17 7.04 -1.08 -1.26 -4.96 116.67 117.12 1ukc s ASP 268 Ca -0.15 -2.27 -0.15 0.00 -0.52 0.00 0.00 52.55 49.46 1ukc s ASP 268 Cb 0.04 -2.18 0.11 0.00 -1.46 0.00 0.00 42.92 39.42 1ukc s ASP 268 CO 0.71 -0.69 1.73 0.28 0.52 0.00 0.00 175.17 177.72 1ukc h SER 269 N 8.25 0.05 -0.46 -0.34 0.02 -1.89 -1.92 113.55 117.26 1ukc h SER 269 Ca -0.09 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1ukc h SER 269 Cb 1.06 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1ukc h SER 269 CO 0.88 0.06 0.15 0.25 -1.14 0.00 0.00 176.83 177.03 1ukc h LEU 270 N 0.23 0.65 -0.38 5.07 5.85 -1.92 -0.56 115.31 124.26 1ukc h LEU 270 Ca 0.20 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ukc h LEU 270 Cb 0.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1ukc h LEU 270 CO -0.24 0.67 0.17 -0.08 -0.34 0.00 0.00 178.44 178.62 1ukc h GLU 271 N 0.60 0.34 -0.73 1.25 4.81 -1.93 -0.71 114.58 118.21 1ukc h GLU 271 Ca 0.15 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1ukc h GLU 271 Cb 0.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1ukc h GLU 271 CO -0.01 0.22 0.47 0.00 -0.73 0.00 0.00 179.01 178.97 1ukc h LEU 273 N 0.95 0.69 -0.71 0.00 3.38 -0.68 -2.04 115.31 116.90 1ukc h LEU 273 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ukc h LEU 273 Cb -0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1ukc h LEU 273 CO -0.08 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.49 1ukc n ARG 274 N -4.67 0.12 0.07 1.13 1.74 -0.31 -2.17 116.66 112.57 1ukc n ARG 274 Ca 0.05 0.47 0.11 0.00 -0.77 0.00 0.00 57.85 57.72 1ukc n ARG 274 Cb 0.04 -1.78 -0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1ukc n ARG 274 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ukc n GLU 275 N -2.01 0.53 -2.48 5.56 1.02 -0.78 -4.62 120.64 117.86 1ukc n GLU 275 Ca 0.01 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 1ukc n GLU 275 Cb 0.13 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 29.77 1ukc n GLU 275 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ukc s GLN 276 N -3.34 4.48 0.74 3.49 -1.52 -0.92 -5.03 119.66 117.57 1ukc s GLN 276 Ca -0.00 1.73 -0.11 0.00 -1.95 0.00 0.00 55.36 55.03 1ukc s GLN 276 Cb 0.11 -2.99 0.04 0.00 -0.22 0.00 0.00 33.01 29.95 1ukc s GLN 276 CO 0.80 0.08 1.08 0.16 -0.25 0.00 0.00 175.29 177.16 1ukc s ASP 277 N -1.07 4.93 0.29 5.90 1.47 -1.26 -4.80 116.67 122.13 1ukc s ASP 277 Ca 0.49 1.55 -0.01 0.00 1.18 0.00 0.00 52.55 55.75 1ukc s ASP 277 Cb -0.29 -2.35 0.47 0.00 -0.34 0.00 0.00 42.92 40.41 1ukc s ASP 277 CO 0.37 -1.72 1.92 -0.29 0.68 0.00 0.00 175.17 176.13 1ukc h ILE 278 N -0.91 1.12 -1.00 2.11 6.09 -1.99 -0.34 117.51 122.59 1ukc h ILE 278 Ca -0.45 -0.38 0.10 0.00 -1.37 0.00 0.00 64.86 62.76 1ukc h ILE 278 Cb 1.23 -0.08 -0.08 0.00 0.47 0.00 0.00 36.82 38.37 1ukc h ILE 278 CO 0.57 0.20 0.64 0.00 -3.07 0.00 0.00 178.15 176.49 1ukc h ALA 279 N 1.48 1.48 -0.16 0.18 0.00 -1.99 0.27 119.26 120.53 1ukc h ALA 279 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1ukc h ALA 279 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ukc h ALA 279 CO -0.13 0.31 -0.13 1.15 0.00 0.00 0.00 179.25 180.45 1ukc h THR 280 N 1.06 1.33 -0.75 0.00 2.02 -1.46 -3.05 112.91 112.06 1ukc h THR 280 Ca 0.47 -1.26 0.12 0.00 0.77 0.00 0.00 66.41 66.51 1ukc h THR 280 Cb 0.37 1.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.50 1ukc h THR 280 CO -0.23 0.37 0.35 0.40 0.37 0.00 0.00 175.52 176.79 1ukc h ILE 281 N 0.02 0.76 0.00 3.11 1.08 -0.65 -1.91 117.51 119.92 1ukc h ILE 281 Ca 0.03 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1ukc h ILE 281 Cb 0.65 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1ukc h ILE 281 CO 0.03 0.10 -0.02 1.56 -0.69 0.00 0.00 178.15 179.13 1ukc h GLN 282 N 0.55 0.00 -0.38 2.37 1.08 -0.85 -0.12 115.11 117.75 1ukc h GLN 282 Ca 0.39 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.57 1ukc h GLN 282 Cb 0.51 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1ukc h GLN 282 CO -0.33 0.02 0.13 0.87 -0.95 0.00 0.00 178.83 178.57 1ukc h LYS 283 N 0.00 0.54 0.00 1.46 1.57 -1.32 -2.71 116.57 116.12 1ukc h LYS 283 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ukc h LYS 283 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ukc h LYS 283 CO 0.00 0.47 -0.77 0.41 -0.57 0.00 0.00 179.45 178.99 1ukc n GLY 284 N -1.14 -1.20 2.68 3.86 0.00 -0.12 -4.63 105.19 104.64 1ukc n GLY 284 Ca 0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1ukc n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ukc n ASN 285 N -1.69 5.80 -3.71 1.61 2.85 -0.83 -4.81 115.26 114.48 1ukc n ASN 285 Ca 0.04 -2.97 -0.10 0.00 -0.11 0.00 0.00 54.58 51.44 1ukc n ASN 285 Cb 0.37 -1.52 -0.05 0.00 1.24 0.00 0.00 39.78 39.83 1ukc n ASN 285 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1ukc s THR 286 N 1.11 0.05 0.45 -0.44 -1.32 -1.26 -0.72 115.64 113.52 1ukc s THR 286 Ca 0.48 -0.75 -0.13 0.00 -1.21 0.00 0.00 61.69 60.09 1ukc s THR 286 Cb 0.14 -1.40 -0.07 0.00 -1.51 0.00 0.00 72.50 69.65 1ukc s THR 286 CO -0.05 -0.24 0.86 -0.83 -2.21 0.00 0.00 174.62 172.15 1ukc s GLY 287 N -2.85 1.98 0.25 6.08 0.00 -1.26 -4.98 107.32 106.53 1ukc s GLY 287 Ca 0.07 -0.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.52 1ukc s GLY 287 CO -0.07 0.17 0.73 -1.35 0.00 0.00 0.00 173.10 172.57 1ukc s SER 288 N -3.16 -0.30 0.43 1.64 1.04 -1.26 -5.07 113.70 107.01 1ukc s SER 288 Ca 0.54 -0.49 -0.24 0.00 0.48 0.00 0.00 55.95 56.23 1ukc s SER 288 Cb -0.10 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.62 1ukc s SER 288 CO 0.32 -1.25 1.18 -2.84 0.98 0.00 0.00 173.24 171.63 1ukc s PRO 289 N -3.83 3.92 0.75 4.02 0.02 -1.26 -4.54 135.00 134.08 1ukc s PRO 289 Ca 0.10 1.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.83 1ukc s PRO 289 Cb -0.05 -2.57 0.04 0.00 0.02 0.00 0.00 34.50 31.95 1ukc s PRO 289 CO 0.03 -0.43 1.10 -0.06 -0.33 0.00 0.00 177.00 177.32 1ukc s PHE 290 N -1.46 2.53 0.30 6.54 0.40 -1.26 -4.95 117.98 120.09 1ukc s PHE 290 Ca 0.60 1.57 -0.29 0.00 -0.60 0.00 0.00 56.93 58.20 1ukc s PHE 290 Cb -0.30 -3.11 -0.11 0.00 0.51 0.00 0.00 43.02 40.01 1ukc s PHE 290 CO 0.38 -1.84 1.53 -2.14 0.70 0.00 0.00 175.22 173.85 1ukc s PRO 291 N -4.64 4.15 0.00 0.24 0.02 -1.26 -1.58 135.00 131.93 1ukc s PRO 291 Ca 0.63 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1ukc s PRO 291 Cb -0.19 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1ukc s PRO 291 CO 0.52 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 1ukc n GLY 292 N 1.75 2.31 3.93 0.52 0.00 -1.26 -4.80 105.19 107.63 1ukc n GLY 292 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1ukc n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukc s GLY 293 N -2.10 1.42 0.82 -0.02 0.00 -0.62 -4.90 107.32 101.93 1ukc s GLY 293 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.91 1ukc s GLY 293 CO 0.00 -0.64 1.13 -1.35 0.00 0.00 0.00 173.10 172.23 1ukc s SER 294 N -4.08 3.76 0.46 1.64 1.04 -1.26 -4.84 113.70 110.42 1ukc s SER 294 Ca 0.43 -0.32 0.26 0.00 0.48 0.00 0.00 55.95 56.81 1ukc s SER 294 Cb -0.10 0.15 0.78 0.00 0.10 0.00 0.00 66.02 66.95 1ukc s SER 294 CO 0.40 -2.28 1.77 0.77 0.98 0.00 0.00 173.24 174.87 1ukc h SER 295 N -0.96 0.00 -3.70 7.02 4.64 -1.99 -3.44 113.55 115.12 1ukc h SER 295 Ca -0.37 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 1ukc h SER 295 Cb 1.25 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.10 1ukc h SER 295 CO 0.35 0.09 -0.16 -0.55 -0.87 0.00 0.00 176.83 175.70 1ukc s SER 296 N -6.05 -0.55 0.50 4.97 0.15 -1.26 -4.23 113.70 107.23 1ukc s SER 296 Ca 0.03 1.02 -0.19 0.00 0.70 0.00 0.00 55.95 57.51 1ukc s SER 296 Cb 0.08 0.99 -0.08 0.00 -1.71 0.00 0.00 66.02 65.30 1ukc s SER 296 CO 0.63 -0.18 1.03 -2.16 1.20 0.00 0.00 173.24 173.76 1ukc s PRO 297 N 0.61 3.77 0.68 5.44 0.04 -1.26 -4.95 135.00 139.33 1ukc s PRO 297 Ca -0.03 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 1ukc s PRO 297 Cb -0.05 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1ukc s PRO 297 CO -0.04 -0.45 1.20 1.28 0.04 0.00 0.00 177.00 179.03 1ukc n LEU 298 N -1.13 5.21 -4.69 -3.56 4.77 -1.26 -4.87 117.00 111.46 1ukc n LEU 298 Ca 0.09 0.77 -0.39 0.00 -0.03 0.00 0.00 56.01 56.44 1ukc n LEU 298 Cb 0.53 -1.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.14 1ukc n LEU 298 CO 0.41 -1.34 0.83 -0.81 -1.33 0.00 0.00 177.39 175.15 1ukc n PRO 299 N -2.00 1.58 -0.35 3.23 -0.04 -1.26 -4.88 135.00 131.28 1ukc n PRO 299 Ca 0.15 0.58 0.02 0.00 -0.04 0.00 0.00 63.50 64.21 1ukc n PRO 299 Cb 0.48 -2.39 0.19 0.00 -0.04 0.00 0.00 33.50 31.74 1ukc n PRO 299 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ukc h ASP 300 N 1.45 1.02 -3.77 3.54 5.19 -1.92 -3.43 116.42 118.50 1ukc h ASP 300 Ca -0.49 -0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.51 1ukc h ASP 300 Cb 1.32 -0.22 -0.31 0.00 0.18 0.00 0.00 39.33 40.30 1ukc h ASP 300 CO 0.57 0.67 -0.78 0.26 -3.12 0.00 0.00 179.24 176.84 1ukc s TRP 301 N -6.00 0.85 0.07 4.55 0.52 -1.26 -5.06 118.94 112.60 1ukc s TRP 301 Ca -0.12 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.79 1ukc s TRP 301 Cb 0.20 -0.63 0.00 0.00 -1.15 0.00 0.00 33.47 31.89 1ukc s TRP 301 CO 0.81 -0.10 0.00 0.98 0.02 0.00 0.00 176.95 178.66 1ukc n TYR 302 N 3.37 -0.09 -2.81 -1.98 9.36 -1.26 -4.97 117.16 118.78 1ukc n TYR 302 Ca -0.19 0.02 -0.42 0.00 3.32 0.00 0.00 57.90 60.63 1ukc n TYR 302 Cb 0.54 0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 39.25 1ukc n TYR 302 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1ukc s PHE 303 N -1.62 3.39 0.05 2.98 0.08 -1.26 -5.02 117.98 116.58 1ukc s PHE 303 Ca 0.00 1.32 -0.12 0.00 0.12 0.00 0.00 56.93 58.25 1ukc s PHE 303 Cb 0.00 -3.10 0.01 0.00 -0.57 0.00 0.00 43.02 39.36 1ukc s PHE 303 CO 0.00 -0.33 0.26 -0.51 -0.10 0.00 0.00 175.22 174.55 1ukc s LEU 304 N 2.52 1.06 0.29 -0.37 1.43 -1.26 -4.65 118.68 117.70 1ukc s LEU 304 Ca 0.40 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1ukc s LEU 304 Cb -0.16 1.22 -0.14 0.00 0.03 0.00 0.00 46.19 47.14 1ukc s LEU 304 CO 0.11 -0.62 1.10 -2.65 0.23 0.00 0.00 176.35 174.52 1ukc n PRO 305 N 0.52 1.53 -4.46 1.29 -0.02 -1.26 -4.94 135.00 127.66 1ukc n PRO 305 Ca -0.18 0.54 -0.24 0.00 -2.02 0.00 0.00 63.50 61.60 1ukc n PRO 305 Cb 0.60 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1ukc n PRO 305 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ukc s VAL 306 N -0.92 2.38 -0.09 -1.45 -7.23 -1.26 -4.03 120.40 107.80 1ukc s VAL 306 Ca 0.60 -2.38 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 1ukc s VAL 306 Cb -0.69 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 33.90 1ukc s VAL 306 CO 0.59 -0.41 1.89 -0.89 -0.31 0.00 0.00 175.10 175.98 1ukc s THR 307 N -2.57 3.26 -1.22 5.32 2.01 -0.85 -4.84 115.64 116.75 1ukc s THR 307 Ca 0.29 0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.70 1ukc s THR 307 Cb -0.04 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1ukc s THR 307 CO 0.14 -0.08 0.77 -0.90 -0.69 0.00 0.00 174.62 173.86 1ukc n ASP 308 N 8.58 1.64 0.00 3.53 5.68 -0.68 -4.27 116.55 131.03 1ukc n ASP 308 Ca 0.21 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1ukc n ASP 308 Cb 0.43 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 1ukc n ASP 308 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ukc n GLY 309 N 0.76 0.68 0.00 6.12 0.00 -0.90 -4.83 105.19 107.03 1ukc n GLY 309 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ukc n GLY 309 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ukc n SER 310 N -0.06 0.00 -0.24 1.61 3.41 -1.26 -4.71 113.62 112.36 1ukc n SER 310 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1ukc n SER 310 Cb 0.03 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.14 1ukc n SER 310 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ukc h LEU 311 N 0.00 0.32 -7.12 1.04 5.85 -1.95 -3.16 115.31 110.28 1ukc h LEU 311 Ca 0.00 0.09 -0.62 0.00 0.84 0.00 0.00 57.88 58.19 1ukc h LEU 311 Cb 0.00 0.05 -0.42 0.00 0.37 0.00 0.00 40.66 40.67 1ukc h LEU 311 CO 0.00 0.15 -0.56 -0.69 -0.34 0.00 0.00 178.44 177.00 1ukc s VAL 312 N -6.04 2.92 -0.66 1.05 1.01 -1.26 -1.41 120.40 116.01 1ukc s VAL 312 Ca -0.13 -4.18 0.26 0.00 0.00 0.00 0.00 61.98 57.93 1ukc s VAL 312 Cb 0.19 -2.92 0.28 0.00 0.00 0.00 0.00 36.38 33.93 1ukc s VAL 312 CO 0.76 -0.99 1.76 -0.81 0.00 0.00 0.00 175.10 175.82 1ukc n PRO 313 N 2.09 0.25 -3.93 2.72 -0.04 -1.25 -1.69 135.00 133.15 1ukc n PRO 313 Ca 0.18 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.83 1ukc n PRO 313 Cb 0.35 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1ukc n PRO 313 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ukc s ASP 314 N -4.50 -0.15 0.45 3.54 -1.08 -1.26 -4.71 116.67 108.95 1ukc s ASP 314 Ca 0.09 -0.79 -0.25 0.00 -0.52 0.00 0.00 52.55 51.08 1ukc s ASP 314 Cb 0.11 0.62 -0.08 0.00 -1.46 0.00 0.00 42.92 42.12 1ukc s ASP 314 CO 0.55 -1.19 1.39 -1.61 0.52 0.00 0.00 175.17 174.83 1ukc s GLU 315 N -3.98 3.69 0.22 4.34 0.41 -1.26 -4.87 118.70 117.25 1ukc s GLU 315 Ca 0.18 2.33 -0.08 0.00 -0.41 0.00 0.00 54.97 56.99 1ukc s GLU 315 Cb -0.02 -2.63 0.28 0.00 -1.78 0.00 0.00 34.13 29.98 1ukc s GLU 315 CO 0.07 -0.78 1.81 -0.07 -0.49 0.00 0.00 175.26 175.80 1ukc h LEU 316 N 2.31 0.61 -0.39 1.80 3.38 -1.96 -1.09 115.31 119.97 1ukc h LEU 316 Ca -0.51 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1ukc h LEU 316 Cb 1.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1ukc h LEU 316 CO 0.61 0.38 0.23 1.88 0.09 0.00 0.00 178.44 181.63 1ukc h TYR 317 N 0.74 0.43 -0.08 1.13 -1.99 -1.93 -1.56 116.97 113.72 1ukc h TYR 317 Ca 0.33 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.07 1ukc h TYR 317 Cb 0.22 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 1ukc h TYR 317 CO -0.07 0.25 0.05 -0.91 -0.00 0.00 0.00 178.16 177.48 1ukc h ASN 318 N 0.47 0.10 -0.88 3.88 4.21 -1.75 -1.27 115.58 120.33 1ukc h ASN 318 Ca 0.16 -0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.64 1ukc h ASN 318 Cb 0.01 -0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.13 1ukc h ASN 318 CO -0.07 0.12 0.57 0.00 -1.29 0.00 0.00 177.43 176.76 1ukc h ALA 319 N 0.98 1.15 -0.17 -0.83 0.00 -1.01 -0.30 119.26 119.08 1ukc h ALA 319 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ukc h ALA 319 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ukc h ALA 319 CO -0.01 0.45 -0.54 0.74 0.00 0.00 0.00 179.25 179.89 1ukc h PHE 320 N 1.13 0.63 -0.71 0.00 0.04 -1.17 -0.79 116.94 116.08 1ukc h PHE 320 Ca 0.34 -0.22 0.07 0.00 2.80 0.00 0.00 57.97 60.96 1ukc h PHE 320 Cb -0.04 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 1ukc h PHE 320 CO -0.02 0.93 0.39 -0.44 -0.60 0.00 0.00 178.31 178.58 1ukc h ASP 321 N 0.39 0.58 1.18 2.17 3.32 -0.83 -2.74 116.42 120.50 1ukc h ASP 321 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ukc h ASP 321 Cb 1.07 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1ukc h ASP 321 CO 0.10 0.37 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 1ukc h ALA 322 N 1.37 1.00 -0.15 3.45 0.00 -0.91 -3.46 119.26 120.56 1ukc h ALA 322 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ukc h ALA 322 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ukc h ALA 322 CO -0.20 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.41 1ukc n GLY 323 N 0.32 0.56 2.37 0.00 0.00 -0.91 -4.95 105.19 102.57 1ukc n GLY 323 Ca 0.02 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1ukc n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ukc n ASN 324 N 1.55 8.33 -3.71 1.61 4.13 -0.35 -4.84 115.26 121.98 1ukc n ASN 324 Ca -0.03 -2.80 -0.10 0.00 1.68 0.00 0.00 54.58 53.33 1ukc n ASN 324 Cb 0.13 -1.47 -0.04 0.00 -1.54 0.00 0.00 39.78 36.86 1ukc n ASN 324 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ukc s PHE 325 N 0.74 -0.12 0.08 3.10 -0.12 -1.25 -3.56 117.98 116.85 1ukc s PHE 325 Ca 0.63 -0.21 -0.31 0.00 -0.05 0.00 0.00 56.93 57.00 1ukc s PHE 325 Cb 0.19 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.85 1ukc s PHE 325 CO -0.08 -0.84 1.21 0.42 -0.05 0.00 0.00 175.22 175.88 1ukc s ILE 326 N -3.86 3.95 -0.87 -4.49 1.01 0.10 -4.87 121.20 112.17 1ukc s ILE 326 Ca 0.08 1.42 -0.18 0.00 0.00 0.00 0.00 60.65 61.97 1ukc s ILE 326 Cb 0.00 -3.91 0.14 0.00 0.01 0.00 0.00 42.46 38.70 1ukc s ILE 326 CO -0.06 0.12 1.02 -0.54 0.00 0.00 0.00 174.94 175.48 1ukc s LYS 327 N 0.94 3.54 0.15 2.79 -0.14 -1.26 -4.97 119.74 120.80 1ukc s LYS 327 Ca 0.58 -1.84 0.06 0.00 -1.36 0.00 0.00 55.97 53.42 1ukc s LYS 327 Cb -0.30 -4.74 -0.04 0.00 -1.68 0.00 0.00 37.83 31.07 1ukc s LYS 327 CO 0.30 -1.66 -0.13 0.14 -0.76 0.00 0.00 175.35 173.24 1ukc s VAL 328 N 2.22 1.38 0.34 3.17 -7.23 -1.26 -5.07 120.40 113.96 1ukc s VAL 328 Ca 0.28 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 58.20 1ukc s VAL 328 Cb -0.08 -1.79 -0.13 0.00 0.56 0.00 0.00 36.38 34.95 1ukc s VAL 328 CO -0.07 -0.59 0.99 -2.65 -0.31 0.00 0.00 175.10 172.46 1ukc n PRO 329 N 0.01 1.34 -4.26 4.82 -0.02 -1.26 -4.83 135.00 130.80 1ukc n PRO 329 Ca -0.11 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1ukc n PRO 329 Cb 0.59 -1.91 -0.16 0.00 -0.02 0.00 0.00 33.50 32.01 1ukc n PRO 329 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ukc s VAL 330 N -1.16 0.62 -0.22 -1.45 1.01 -0.53 -1.71 120.40 116.95 1ukc s VAL 330 Ca 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1ukc s VAL 330 Cb -0.64 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1ukc s VAL 330 CO 0.59 0.22 -0.08 -0.22 0.00 0.00 0.00 175.10 175.61 1ukc s LEU 331 N 0.51 2.82 0.00 3.92 0.20 -0.56 -1.55 118.68 124.02 1ukc s LEU 331 Ca -0.07 -0.58 0.01 0.00 0.69 0.00 0.00 54.13 54.17 1ukc s LEU 331 Cb -0.11 -1.66 -0.00 0.00 -0.43 0.00 0.00 46.19 43.98 1ukc s LEU 331 CO 0.00 -0.05 -0.02 0.54 -0.29 0.00 0.00 176.35 176.53 1ukc s VAL 332 N 1.40 0.16 0.05 1.68 0.11 -0.05 0.01 120.40 123.76 1ukc s VAL 332 Ca 0.04 -0.23 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 1ukc s VAL 332 Cb -0.15 -0.17 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1ukc s VAL 332 CO -0.06 -0.05 0.59 0.61 -3.33 0.00 0.00 175.10 172.86 1ukc n GLY 333 N 2.77 0.72 3.44 6.54 0.00 -0.81 -1.26 105.19 116.60 1ukc n GLY 333 Ca -0.14 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1ukc n GLY 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukc s ASP 334 N -2.34 -0.16 0.41 1.61 1.11 -1.00 -0.39 116.67 115.90 1ukc s ASP 334 Ca 0.13 -0.57 -0.04 0.00 0.18 0.00 0.00 52.55 52.24 1ukc s ASP 334 Cb -0.01 0.52 -0.04 0.00 1.07 0.00 0.00 42.92 44.46 1ukc s ASP 334 CO 0.02 -0.98 0.69 -1.81 1.18 0.00 0.00 175.17 174.27 1ukc s ASP 335 N -2.89 6.33 0.21 0.27 1.11 -1.26 -0.13 116.67 120.31 1ukc s ASP 335 Ca 0.11 0.81 -0.10 0.00 0.18 0.00 0.00 52.55 53.55 1ukc s ASP 335 Cb 0.01 -2.19 0.27 0.00 1.07 0.00 0.00 42.92 42.07 1ukc s ASP 335 CO -0.03 -0.43 1.76 0.74 1.18 0.00 0.00 175.17 178.38 1ukc h THR 336 N 0.63 0.81 -2.28 -1.27 2.02 -1.38 -3.31 112.91 108.14 1ukc h THR 336 Ca -0.48 -0.16 -0.62 0.00 0.77 0.00 0.00 66.41 65.93 1ukc h THR 336 Cb 1.20 0.32 -0.40 0.00 -1.74 0.00 0.00 68.15 67.53 1ukc h THR 336 CO 0.63 0.08 -0.44 0.47 0.37 0.00 0.00 175.52 176.63 1ukc n ASP 337 N -4.95 4.64 -0.32 4.18 9.92 -0.11 -4.90 116.55 125.00 1ukc n ASP 337 Ca 0.08 -3.62 0.13 0.00 -0.53 0.00 0.00 54.79 50.85 1ukc n ASP 337 Cb 0.25 -0.66 0.35 0.00 -0.64 0.00 0.00 41.12 40.42 1ukc n ASP 337 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ukc h GLU 338 N 3.45 0.71 0.00 -1.24 4.39 -1.73 -2.66 114.58 117.50 1ukc h GLU 338 Ca 0.18 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ukc h GLU 338 Cb 0.53 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1ukc h GLU 338 CO 0.87 0.47 -0.11 0.41 -1.16 0.00 0.00 179.01 179.49 1ukc n GLY 339 N -1.39 -1.47 0.32 -3.84 0.00 -1.25 -4.14 105.19 93.43 1ukc n GLY 339 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1ukc n GLY 339 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ukc h SER 340 N 0.00 0.68 0.38 1.61 4.64 -1.70 -0.60 113.55 118.56 1ukc h SER 340 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ukc h SER 340 Cb 0.52 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1ukc h SER 340 CO 0.00 0.52 -0.07 0.59 -0.87 0.00 0.00 176.83 177.00 1ukc n ASN 341 N -4.42 0.34 0.00 4.97 5.03 -1.26 -4.33 115.26 115.59 1ukc n ASN 341 Ca 0.05 -0.51 0.00 0.00 0.87 0.00 0.00 54.58 54.99 1ukc n ASN 341 Cb 0.07 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 1ukc n ASN 341 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1ukc n PHE 342 N -1.02 0.00 -3.09 3.10 3.72 -0.46 -5.06 117.46 114.63 1ukc n PHE 342 Ca 0.15 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.19 1ukc n PHE 342 Cb 0.26 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.74 1ukc n PHE 342 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ukc s ALA 343 N -0.88 3.42 0.30 4.37 0.00 -0.36 -4.97 121.76 123.64 1ukc s ALA 343 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 1ukc s ALA 343 Cb 0.00 -2.83 -0.13 0.00 0.00 0.00 0.00 23.12 20.17 1ukc s ALA 343 CO 0.00 0.33 1.36 0.98 0.00 0.00 0.00 175.76 178.43 1ukc n TYR 344 N 0.81 2.27 -1.36 0.00 9.36 -1.26 -4.85 117.16 122.14 1ukc n TYR 344 Ca -0.03 0.48 -0.42 0.00 3.32 0.00 0.00 57.90 61.25 1ukc n TYR 344 Cb 0.51 -2.45 -0.03 0.00 -0.63 0.00 0.00 39.34 36.74 1ukc n TYR 344 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ukc n ASN 345 N 1.44 3.23 -4.75 2.98 5.15 -1.26 -4.70 115.26 117.35 1ukc n ASN 345 Ca 0.08 -2.72 -0.41 0.00 -0.60 0.00 0.00 54.58 50.92 1ukc n ASN 345 Cb 0.34 -1.33 -0.03 0.00 -0.53 0.00 0.00 39.78 38.23 1ukc n ASN 345 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ukc s ALA 346 N 4.21 3.45 -1.32 5.20 0.00 -1.26 -4.63 121.76 127.40 1ukc s ALA 346 Ca 0.53 1.00 0.20 0.00 0.00 0.00 0.00 51.96 53.69 1ukc s ALA 346 Cb 0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 1ukc s ALA 346 CO 0.03 -0.37 0.91 0.43 0.00 0.00 0.00 175.76 176.76 1ukc n SER 347 N 1.85 1.34 -3.59 0.00 7.64 -1.26 -0.85 113.62 118.75 1ukc n SER 347 Ca 0.02 -1.17 -0.11 0.00 1.01 0.00 0.00 58.87 58.63 1ukc n SER 347 Cb 0.44 0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 64.39 1ukc n SER 347 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ukc s SER 348 N -2.60 -0.38 0.28 6.43 1.04 -1.26 -4.58 113.70 112.62 1ukc s SER 348 Ca 0.11 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.31 1ukc s SER 348 Cb 0.15 0.58 0.67 0.00 0.10 0.00 0.00 66.02 67.53 1ukc s SER 348 CO 0.68 -1.00 1.69 0.28 0.98 0.00 0.00 173.24 175.87 1ukc h SER 349 N 2.14 0.23 -0.16 7.02 0.02 -1.96 -2.42 113.55 118.41 1ukc h SER 349 Ca -0.31 0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1ukc h SER 349 Cb 1.28 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 1ukc h SER 349 CO 0.38 -0.03 -0.18 0.00 -1.14 0.00 0.00 176.83 175.86 1ukc h ALA 350 N 1.70 1.09 -0.72 3.77 0.00 -1.99 -2.38 119.26 120.72 1ukc h ALA 350 Ca 0.53 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ukc h ALA 350 Cb 1.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ukc h ALA 350 CO -0.54 0.56 0.39 -0.44 0.00 0.00 0.00 179.25 179.22 1ukc h ASP 351 N 0.52 0.91 -0.34 0.00 3.32 -1.84 -0.23 116.42 118.77 1ukc h ASP 351 Ca 0.08 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ukc h ASP 351 Cb 0.61 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1ukc h ASP 351 CO 0.04 0.75 0.22 0.58 -1.72 0.00 0.00 179.24 179.11 1ukc h VAL 352 N 1.00 1.10 -0.54 -1.35 2.07 -1.15 -1.43 116.25 115.95 1ukc h VAL 352 Ca 0.25 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1ukc h VAL 352 Cb 0.05 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1ukc h VAL 352 CO -0.04 0.10 -0.03 0.28 0.02 0.00 0.00 177.57 177.89 1ukc h SER 353 N 0.45 0.93 -0.47 0.57 0.02 -1.16 -1.95 113.55 111.94 1ukc h SER 353 Ca 0.12 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 1ukc h SER 353 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1ukc h SER 353 CO -0.03 1.01 0.04 -0.09 -1.14 0.00 0.00 176.83 176.62 1ukc h ARG 354 N 0.87 0.80 -0.18 3.45 2.43 -0.85 -0.37 114.38 120.53 1ukc h ARG 354 Ca 0.15 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1ukc h ARG 354 Cb 0.56 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 1ukc h ARG 354 CO 0.03 0.83 -0.19 0.35 -1.51 0.00 0.00 179.97 179.48 1ukc h PHE 355 N 0.66 -0.51 -0.36 2.20 3.57 -1.11 -0.55 116.94 120.85 1ukc h PHE 355 Ca 0.14 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1ukc h PHE 355 Cb 0.45 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1ukc h PHE 355 CO 0.03 -0.27 -0.02 0.74 -2.23 0.00 0.00 178.31 176.57 1ukc h PHE 356 N -0.22 0.70 -0.56 0.41 -1.00 -1.15 -2.66 116.94 112.45 1ukc h PHE 356 Ca 0.11 -0.13 0.04 0.00 2.81 0.00 0.00 57.97 60.80 1ukc h PHE 356 Cb 0.39 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1ukc h PHE 356 CO -0.33 0.76 0.32 -0.22 -1.61 0.00 0.00 178.31 177.23 1ukc h LYS 357 N 0.45 0.60 0.00 1.51 1.63 -1.00 0.44 116.57 120.20 1ukc h LYS 357 Ca 0.10 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1ukc h LYS 357 Cb 0.49 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1ukc h LYS 357 CO 0.02 0.40 0.00 -0.91 -3.45 0.00 0.00 179.45 175.51 1ukc h ASN 358 N 0.62 0.00 0.00 4.20 4.21 -0.91 -0.77 115.58 122.93 1ukc h ASN 358 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1ukc h ASN 358 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1ukc h ASN 358 CO -0.13 0.00 -1.68 0.59 -1.29 0.00 0.00 177.43 174.92 1ukc n ASN 359 N -2.81 0.89 -3.22 5.81 3.02 -0.82 -4.29 115.26 113.84 1ukc n ASN 359 Ca 0.00 -0.13 -0.23 0.00 -0.03 0.00 0.00 54.58 54.19 1ukc n ASN 359 Cb 0.22 1.70 -0.07 0.00 -0.61 0.00 0.00 39.78 41.02 1ukc n ASN 359 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ukc n TYR 360 N -2.02 -1.18 0.27 3.10 4.02 0.15 -4.62 117.16 116.88 1ukc n TYR 360 Ca -0.02 -3.11 0.08 0.00 -0.01 0.00 0.00 57.90 54.85 1ukc n TYR 360 Cb 0.44 0.26 0.40 0.00 -0.02 0.00 0.00 39.34 40.41 1ukc n TYR 360 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1ukc n PRO 361 N 2.29 0.11 0.00 -0.72 -0.04 -0.33 -1.64 135.00 134.67 1ukc n PRO 361 Ca 0.25 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 1ukc n PRO 361 Cb 0.51 -1.76 0.54 0.00 -0.04 0.00 0.00 33.50 32.76 1ukc n PRO 361 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ukc n ASN 362 N -1.97 0.58 -4.75 3.54 3.02 -1.26 -4.88 115.26 109.54 1ukc n ASN 362 Ca 0.01 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 1ukc n ASN 362 Cb 0.11 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1ukc n ASN 362 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ukc n LEU 363 N -0.93 4.35 -4.92 3.41 4.77 -0.65 -4.83 117.00 118.20 1ukc n LEU 363 Ca 0.13 1.19 -0.26 0.00 -0.03 0.00 0.00 56.01 57.04 1ukc n LEU 363 Cb 0.30 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1ukc n LEU 363 CO 0.25 0.02 0.38 0.42 -1.33 0.00 0.00 177.39 177.13 1ukc s THR 364 N -0.64 4.76 0.29 -5.08 -4.23 -1.26 -4.91 115.64 104.57 1ukc s THR 364 Ca 0.58 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 1ukc s THR 364 Cb -0.51 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 69.83 1ukc s THR 364 CO 0.57 -0.70 1.73 -1.28 -0.54 0.00 0.00 174.62 174.39 1ukc h SER 365 N 0.32 0.50 -0.40 3.99 0.87 -1.99 0.33 113.55 117.17 1ukc h SER 365 Ca -0.47 0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.10 1ukc h SER 365 Cb 1.22 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1ukc h SER 365 CO 0.61 0.10 -0.23 -0.61 -0.53 0.00 0.00 176.83 176.17 1ukc h GLN 366 N 0.53 0.86 -0.63 2.24 4.15 -1.99 -2.29 115.11 117.98 1ukc h GLN 366 Ca 0.56 -0.39 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 1ukc h GLN 366 Cb 1.01 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 1ukc h GLN 366 CO -0.47 1.03 0.10 1.96 -1.93 0.00 0.00 178.83 179.52 1ukc h GLN 367 N 0.67 1.04 -0.56 1.69 4.20 -1.60 -1.03 115.11 119.52 1ukc h GLN 367 Ca 0.08 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.54 1ukc h GLN 367 Cb 0.80 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 1ukc h GLN 367 CO 0.07 0.97 0.33 -0.07 -0.67 0.00 0.00 178.83 179.46 1ukc h LEU 368 N 0.95 0.52 -0.89 1.46 3.38 -0.95 -0.55 115.31 119.23 1ukc h LEU 368 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ukc h LEU 368 Cb 0.44 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1ukc h LEU 368 CO 0.01 0.36 0.57 -1.13 0.09 0.00 0.00 178.44 178.34 1ukc h ASN 369 N 0.64 1.05 -0.80 -0.43 -1.24 -1.19 -2.39 115.58 111.22 1ukc h ASN 369 Ca 0.23 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1ukc h ASN 369 Cb 0.06 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 1ukc h ASN 369 CO -0.12 0.78 0.44 -0.33 -1.29 0.00 0.00 177.43 176.91 1ukc h GLU 370 N 1.22 1.12 -0.78 6.67 5.08 -0.52 -1.87 114.58 125.49 1ukc h GLU 370 Ca 0.32 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1ukc h GLU 370 Cb -0.10 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 28.86 1ukc h GLU 370 CO -0.07 0.82 0.44 0.82 -1.00 0.00 0.00 179.01 180.02 1ukc h ILE 371 N 1.11 0.90 0.00 3.13 2.04 -0.78 -1.18 117.51 122.74 1ukc h ILE 371 Ca 0.28 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1ukc h ILE 371 Cb 0.03 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1ukc h ILE 371 CO -0.05 0.14 -0.23 0.78 0.00 0.00 0.00 178.15 178.80 1ukc h ASN 372 N 0.74 0.00 0.43 1.72 2.35 -0.87 -0.41 115.58 119.55 1ukc h ASN 372 Ca 0.38 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.88 1ukc h ASN 372 Cb 0.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.72 1ukc h ASN 372 CO -0.24 0.23 -1.07 1.56 -1.65 0.00 0.00 177.43 176.25 1ukc h GLN 373 N 0.00 0.37 -0.02 0.81 4.20 -0.57 -2.84 115.11 117.07 1ukc h GLN 373 Ca -0.00 -0.47 -0.20 0.00 0.06 0.00 0.00 58.65 58.04 1ukc h GLN 373 Cb 0.56 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1ukc h GLN 373 CO 0.03 1.16 -0.85 0.28 -0.67 0.00 0.00 178.83 178.78 1ukc h VAL 374 N 0.17 1.44 -2.53 -0.54 2.07 -0.98 -3.38 116.25 112.50 1ukc h VAL 374 Ca -0.11 -2.44 -0.60 0.00 0.82 0.00 0.00 66.70 64.37 1ukc h VAL 374 Cb 1.74 2.36 -0.41 0.00 -1.52 0.00 0.00 31.29 33.46 1ukc h VAL 374 CO 0.18 0.72 -0.71 -1.22 0.02 0.00 0.00 177.57 176.57 1ukc n TYR 375 N -3.73 2.33 -1.31 1.57 4.02 -0.19 -5.10 117.16 114.75 1ukc n TYR 375 Ca -0.04 -4.02 -0.29 0.00 -0.01 0.00 0.00 57.90 53.54 1ukc n TYR 375 Cb 0.78 -0.44 0.16 0.00 -0.02 0.00 0.00 39.34 39.83 1ukc n TYR 375 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1ukc s PRO 376 N -1.57 0.64 0.08 -0.72 0.02 -1.07 -4.65 135.00 127.73 1ukc s PRO 376 Ca 0.33 0.40 -0.15 0.00 0.02 0.00 0.00 61.00 61.60 1ukc s PRO 376 Cb 0.06 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.79 1ukc s PRO 376 CO -0.11 -2.56 0.74 -2.13 -0.33 0.00 0.00 177.00 172.61 1ukc n ARG 377 N -4.04 -0.21 -0.15 5.54 0.63 -1.26 -4.43 116.66 112.74 1ukc n ARG 377 Ca 0.06 0.73 0.02 0.00 -0.92 0.00 0.00 57.85 57.73 1ukc n ARG 377 Cb 0.58 -1.07 -0.01 0.00 0.45 0.00 0.00 32.46 32.42 1ukc n ARG 377 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ukc n GLY 378 N -1.12 -1.94 3.57 5.14 0.00 -1.26 -3.33 105.19 106.24 1ukc n GLY 378 Ca 0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1ukc n GLY 378 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ukc n LYS 379 N -2.55 1.13 -2.23 1.61 4.76 -1.26 -4.94 118.16 114.68 1ukc n LYS 379 Ca -0.00 0.40 -0.42 0.00 -2.87 0.00 0.00 58.31 55.42 1ukc n LYS 379 Cb 0.07 -1.86 -0.03 0.00 -1.84 0.00 0.00 35.03 31.37 1ukc n LYS 379 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ukc s LEU 380 N 0.23 4.40 -0.07 -0.35 2.96 -1.26 -4.61 118.68 119.98 1ukc s LEU 380 Ca 0.63 2.34 -0.04 0.00 -0.22 0.00 0.00 54.13 56.84 1ukc s LEU 380 Cb -0.60 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.45 1ukc s LEU 380 CO 0.57 -0.55 0.11 -0.76 -1.32 0.00 0.00 176.35 174.40 1ukc s LEU 381 N 0.32 4.14 0.24 -0.68 1.43 -1.26 -5.07 118.68 117.80 1ukc s LEU 381 Ca 0.59 0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 1ukc s LEU 381 Cb -0.36 -2.15 -0.14 0.00 0.03 0.00 0.00 46.19 43.57 1ukc s LEU 381 CO 0.35 0.36 1.18 -2.65 0.23 0.00 0.00 176.35 175.82 1ukc n PRO 382 N 1.70 1.52 -1.00 1.29 -0.02 -1.26 -2.54 135.00 134.67 1ukc n PRO 382 Ca -0.17 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1ukc n PRO 382 Cb 0.54 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1ukc n PRO 382 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ukc n ARG 383 N 1.40 -0.95 -4.27 -0.52 1.74 -1.26 -3.55 116.66 109.24 1ukc n ARG 383 Ca 0.12 0.25 -0.15 0.00 -0.77 0.00 0.00 57.85 57.29 1ukc n ARG 383 Cb 0.30 -3.96 -0.10 0.00 -1.02 0.00 0.00 32.46 27.67 1ukc n ARG 383 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ukc s HIS 384 N -1.53 1.34 0.87 -1.55 3.76 -1.05 -5.05 115.29 112.07 1ukc s HIS 384 Ca 0.00 -0.86 -0.12 0.00 -0.15 0.00 0.00 55.06 53.93 1ukc s HIS 384 Cb 0.00 -0.73 0.11 0.00 1.11 0.00 0.00 32.58 33.07 1ukc s HIS 384 CO 0.00 -0.01 1.12 0.00 -0.85 0.00 0.00 174.74 175.00 1ukc s ALA 385 N -3.42 1.93 0.54 -1.40 0.00 -1.26 -4.67 121.76 113.48 1ukc s ALA 385 Ca 0.22 -0.36 0.22 0.00 0.00 0.00 0.00 51.96 52.03 1ukc s ALA 385 Cb 0.04 -3.07 1.40 0.00 0.00 0.00 0.00 23.12 21.49 1ukc s ALA 385 CO 0.04 -2.08 2.09 0.00 0.00 0.00 0.00 175.76 175.81 1ukc h ALA 386 N -1.34 2.13 -0.55 0.00 0.00 -1.83 -2.29 119.26 115.37 1ukc h ALA 386 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ukc h ALA 386 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ukc h ALA 386 CO 0.60 -0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.23 1ukc n TYR 387 N -4.33 0.73 -0.15 0.00 4.02 -0.03 -4.58 117.16 112.81 1ukc n TYR 387 Ca 0.02 -0.47 -0.06 0.00 -0.01 0.00 0.00 57.90 57.38 1ukc n TYR 387 Cb 0.31 -0.01 0.10 0.00 -0.02 0.00 0.00 39.34 39.72 1ukc n TYR 387 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1ukc h PHE 388 N 3.42 0.99 -0.55 -0.72 3.57 -1.23 -1.83 116.94 120.58 1ukc h PHE 388 Ca 0.00 -0.15 0.09 0.00 3.53 0.00 0.00 57.97 61.44 1ukc h PHE 388 Cb 0.88 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 1ukc h PHE 388 CO 0.36 0.89 0.16 0.78 -2.23 0.00 0.00 178.31 178.28 1ukc h GLY 389 N 0.99 0.73 0.82 2.40 0.00 -1.80 0.17 103.07 106.39 1ukc h GLY 389 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1ukc h GLY 389 CO 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 176.54 176.46 1ukc h ALA 390 N 1.41 -0.15 -0.34 3.60 0.00 -1.48 -0.94 119.26 121.35 1ukc h ALA 390 Ca 0.28 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1ukc h ALA 390 Cb 0.36 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1ukc h ALA 390 CO -0.32 -0.49 -0.19 1.03 0.00 0.00 0.00 179.25 179.28 1ukc h SER 391 N -0.33 -0.64 -0.29 0.00 0.87 -1.08 -0.70 113.55 111.38 1ukc h SER 391 Ca -0.02 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1ukc h SER 391 Cb 0.27 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1ukc h SER 391 CO 0.03 -0.22 0.03 -1.28 -0.53 0.00 0.00 176.83 174.85 1ukc h SER 392 N -0.14 0.48 -0.26 6.23 0.87 -0.59 -0.71 113.55 119.42 1ukc h SER 392 Ca 0.17 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1ukc h SER 392 Cb 0.41 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1ukc h SER 392 CO -0.43 0.63 0.14 0.00 -0.53 0.00 0.00 176.83 176.64 1ukc h ALA 393 N 0.86 0.33 -0.26 6.23 0.00 -1.03 0.15 119.26 125.55 1ukc h ALA 393 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ukc h ALA 393 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ukc h ALA 393 CO 0.01 -0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.27 1ukc h ALA 394 N 1.01 0.33 -0.28 0.00 0.00 -1.06 -1.66 119.26 117.60 1ukc h ALA 394 Ca 0.09 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1ukc h ALA 394 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ukc h ALA 394 CO -0.01 -0.12 -0.46 -0.92 0.00 0.00 0.00 179.25 177.74 1ukc h TYR 395 N 0.30 1.01 -0.33 0.00 3.20 -1.06 -0.37 116.97 119.71 1ukc h TYR 395 Ca 0.09 -0.35 0.06 0.00 3.14 0.00 0.00 58.73 61.67 1ukc h TYR 395 Cb 0.10 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 1ukc h TYR 395 CO -0.03 1.15 -0.01 0.78 -1.64 0.00 0.00 178.16 178.42 1ukc h GLY 396 N 0.57 0.32 0.92 1.82 0.00 -0.66 -1.60 103.07 104.45 1ukc h GLY 396 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1ukc h GLY 396 CO 0.11 -0.08 0.13 -0.55 0.00 0.00 0.00 176.54 176.14 1ukc h ASP 397 N 0.09 0.47 -0.28 0.19 3.32 -1.21 -1.20 116.42 117.80 1ukc h ASP 397 Ca 0.16 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1ukc h ASP 397 Cb 0.22 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1ukc h ASP 397 CO -0.28 0.52 -0.16 0.00 -1.72 0.00 0.00 179.24 177.60 1ukc h ALA 398 N 0.97 0.99 0.00 3.45 0.00 -0.84 -0.87 119.26 122.95 1ukc h ALA 398 Ca 0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1ukc h ALA 398 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ukc h ALA 398 CO -0.01 0.60 -1.84 2.41 0.00 0.00 0.00 179.25 180.41 1ukc n THR 399 N -4.15 0.49 0.03 0.00 -1.04 -0.62 -4.67 114.28 104.32 1ukc n THR 399 Ca 0.01 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1ukc n THR 399 Cb 0.39 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1ukc n THR 399 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ukc n PHE 400 N -2.28 -0.16 -0.03 -1.42 3.01 -0.57 -0.59 117.46 115.41 1ukc n PHE 400 Ca -0.13 0.03 -0.14 0.00 1.01 0.00 0.00 57.45 58.22 1ukc n PHE 400 Cb 0.68 0.07 -0.09 0.00 -0.01 0.00 0.00 39.48 40.13 1ukc n PHE 400 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ukc h THR 401 N 0.00 1.42 -0.49 4.37 2.02 -1.33 -1.34 112.91 117.56 1ukc h THR 401 Ca 0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 1ukc h THR 401 Cb 0.00 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1ukc h THR 401 CO 0.00 0.41 0.31 0.00 0.37 0.00 0.00 175.52 176.61 1ukc h PRO 403 N 0.66 0.28 -0.34 0.00 0.11 -1.74 0.45 132.00 131.42 1ukc h PRO 403 Ca 0.18 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.29 1ukc h PRO 403 Cb -0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1ukc h PRO 403 CO -0.04 0.18 0.19 0.78 -0.21 0.00 0.00 178.00 178.91 1ukc h GLY 404 N 0.29 0.46 1.25 -0.55 0.00 -0.56 0.11 103.07 104.07 1ukc h GLY 404 Ca 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1ukc h GLY 404 CO -0.37 0.13 0.46 3.43 0.00 0.00 0.00 176.54 180.19 1ukc h ASN 405 N 0.39 0.76 -0.46 0.19 2.35 -0.67 -1.29 115.58 116.86 1ukc h ASN 405 Ca 0.13 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1ukc h ASN 405 Cb 0.01 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1ukc h ASN 405 CO -0.07 0.54 -0.11 -0.74 -1.65 0.00 0.00 177.43 175.40 1ukc h HIS 406 N 0.89 0.99 -0.41 1.19 2.76 -0.14 -0.93 115.15 119.50 1ukc h HIS 406 Ca 0.27 -0.21 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1ukc h HIS 406 Cb -0.02 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.67 1ukc h HIS 406 CO -0.00 0.97 0.20 0.28 -1.30 0.00 0.00 177.93 178.09 1ukc h VAL 407 N 0.72 0.97 0.33 5.26 2.07 -0.23 -0.29 116.25 125.09 1ukc h VAL 407 Ca 0.12 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ukc h VAL 407 Cb 0.65 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1ukc h VAL 407 CO 0.04 0.08 -0.16 0.00 0.02 0.00 0.00 177.57 177.55 1ukc h ALA 408 N 1.22 -0.44 -0.36 1.67 0.00 -0.99 -0.87 119.26 119.48 1ukc h ALA 408 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ukc h ALA 408 Cb 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ukc h ALA 408 CO -0.13 -0.74 -0.13 0.66 0.00 0.00 0.00 179.25 178.91 1ukc h SER 409 N -0.46 0.62 -0.05 0.00 4.64 -1.14 -0.52 113.55 116.64 1ukc h SER 409 Ca -0.05 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1ukc h SER 409 Cb 0.35 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ukc h SER 409 CO 0.07 0.78 -0.01 0.28 -0.87 0.00 0.00 176.83 177.09 1ukc h SER 410 N 0.58 0.10 -0.07 4.97 0.02 -0.95 -2.86 113.55 115.33 1ukc h SER 410 Ca 0.10 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1ukc h SER 410 Cb 0.56 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ukc h SER 410 CO 0.04 0.42 -0.14 0.00 -1.14 0.00 0.00 176.83 176.00 1ukc h ALA 411 N 0.68 1.30 0.00 3.77 0.00 -1.05 -2.81 119.26 121.16 1ukc h ALA 411 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ukc h ALA 411 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ukc h ALA 411 CO 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 1ukc h ALA 412 N 1.47 1.04 -0.67 0.00 0.00 -1.02 -0.66 119.26 119.42 1ukc h ALA 412 Ca 0.07 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ukc h ALA 412 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ukc h ALA 412 CO 0.03 0.14 0.44 0.00 0.00 0.00 0.00 179.25 179.87 1ukc h ARG 413 N 0.00 0.57 0.00 0.00 3.08 -1.26 -2.42 114.38 114.35 1ukc h ARG 413 Ca -0.00 -0.03 -0.36 0.00 0.07 0.00 0.00 59.98 59.66 1ukc h ARG 413 Cb 0.59 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 1ukc h ARG 413 CO 0.02 0.38 -2.35 0.66 -1.07 0.00 0.00 179.97 177.60 1ukc n TYR 414 N -4.48 0.00 -3.22 3.04 4.02 -0.72 -4.71 117.16 111.09 1ukc n TYR 414 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.75 1ukc n TYR 414 Cb 0.30 -0.95 -0.06 0.00 -0.02 0.00 0.00 39.34 38.61 1ukc n TYR 414 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ukc n LEU 415 N -2.93 1.78 0.29 7.72 4.77 -0.33 -4.95 117.00 123.34 1ukc n LEU 415 Ca -0.37 -5.08 0.14 0.00 -0.03 0.00 0.00 56.01 50.68 1ukc n LEU 415 Cb 1.05 0.16 0.86 0.00 -2.33 0.00 0.00 43.42 43.17 1ukc n LEU 415 CO 0.34 2.15 1.10 1.55 -1.33 0.00 0.00 177.39 181.20 1ukc h PRO 416 N 3.72 0.00 -0.01 3.23 0.13 -1.66 -0.26 132.00 137.15 1ukc h PRO 416 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ukc h PRO 416 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1ukc h PRO 416 CO 0.61 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1ukc n ASN 417 N -3.93 0.90 -1.84 1.44 3.02 -1.26 -4.17 115.26 109.42 1ukc n ASN 417 Ca -0.03 -1.32 0.01 0.00 -0.03 0.00 0.00 54.58 53.22 1ukc n ASN 417 Cb 0.10 -0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1ukc n ASN 417 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ukc n SER 418 N -0.29 1.50 -3.91 6.41 7.64 -0.11 -4.96 113.62 119.90 1ukc n SER 418 Ca 0.21 -2.32 -0.27 0.00 1.01 0.00 0.00 58.87 57.49 1ukc n SER 418 Cb 0.25 -0.38 -0.17 0.00 -1.01 0.00 0.00 64.21 62.90 1ukc n SER 418 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ukc s VAL 419 N -1.80 1.03 -0.06 0.44 1.01 -1.20 -1.45 120.40 118.37 1ukc s VAL 419 Ca 0.33 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ukc s VAL 419 Cb 0.37 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1ukc s VAL 419 CO -0.11 0.37 -0.19 0.26 0.00 0.00 0.00 175.10 175.43 1ukc s TRP 420 N 1.71 2.00 0.08 5.22 0.51 -0.59 -0.81 118.94 127.06 1ukc s TRP 420 Ca 0.05 -0.67 0.09 0.00 -2.12 0.00 0.00 56.10 53.45 1ukc s TRP 420 Cb -0.13 -1.35 -0.04 0.00 -0.81 0.00 0.00 33.47 31.15 1ukc s TRP 420 CO -0.08 -0.25 -0.20 1.21 -0.51 0.00 0.00 176.95 177.12 1ukc s ASN 421 N 0.17 3.71 0.15 2.95 2.47 -1.25 -0.87 114.94 122.26 1ukc s ASN 421 Ca -0.09 -0.54 0.02 0.00 0.42 0.00 0.00 52.86 52.67 1ukc s ASN 421 Cb -0.14 -0.50 -0.04 0.00 -1.45 0.00 0.00 41.25 39.11 1ukc s ASN 421 CO 0.04 0.22 -0.03 -0.72 -3.72 0.00 0.00 177.10 172.89 1ukc s TYR 422 N -1.02 1.11 -0.14 0.43 -0.85 -0.39 -1.51 117.35 114.98 1ukc s TYR 422 Ca 0.16 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 1ukc s TYR 422 Cb -0.10 -0.63 0.02 0.00 0.38 0.00 0.00 41.96 41.63 1ukc s TYR 422 CO 0.07 -0.17 -0.13 0.50 -1.52 0.00 0.00 175.55 174.30 1ukc s ARG 423 N -3.87 2.13 -0.13 -3.49 3.52 0.08 -2.38 118.95 114.80 1ukc s ARG 423 Ca 0.19 -0.49 -0.26 0.00 -0.13 0.00 0.00 55.73 55.04 1ukc s ARG 423 Cb 0.05 -1.97 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1ukc s ARG 423 CO 0.01 -0.22 0.85 0.08 -0.81 0.00 0.00 175.30 175.21 1ukc s VAL 424 N 1.47 4.89 -0.37 7.11 1.01 0.82 -0.86 120.40 134.47 1ukc s VAL 424 Ca 0.03 1.70 0.12 0.00 0.00 0.00 0.00 61.98 63.84 1ukc s VAL 424 Cb -0.13 -4.16 0.44 0.00 0.00 0.00 0.00 36.38 32.53 1ukc s VAL 424 CO -0.09 0.07 1.02 -3.20 0.00 0.00 0.00 175.10 172.90 1ukc n ASN 425 N 4.89 2.89 -4.64 3.32 5.15 0.13 -1.48 115.26 125.51 1ukc n ASN 425 Ca 0.04 -3.14 -0.43 0.00 -0.60 0.00 0.00 54.58 50.45 1ukc n ASN 425 Cb 0.49 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1ukc n ASN 425 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ukc s ILE 426 N -4.19 4.48 -0.28 -1.44 1.01 -1.23 -4.58 121.20 114.97 1ukc s ILE 426 Ca 0.36 1.73 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 1ukc s ILE 426 Cb 0.43 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1ukc s ILE 426 CO -0.06 -0.37 0.28 -0.63 0.00 0.00 0.00 174.94 174.16 1ukc s ILE 427 N 3.62 5.24 -0.17 2.92 -1.09 -1.26 -4.73 121.20 125.73 1ukc s ILE 427 Ca 0.47 0.30 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 1ukc s ILE 427 Cb -0.14 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1ukc s ILE 427 CO 0.14 0.17 -0.20 -0.62 -1.23 0.00 0.00 174.94 173.21 1ukc s ASP 428 N 1.71 3.21 0.32 3.58 -1.08 -1.26 -4.95 116.67 118.19 1ukc s ASP 428 Ca 0.11 -0.62 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 1ukc s ASP 428 Cb -0.16 -1.49 0.76 0.00 -1.46 0.00 0.00 42.92 40.58 1ukc s ASP 428 CO 0.11 0.02 1.80 -0.33 0.52 0.00 0.00 175.17 177.29 1ukc h GLU 429 N 7.76 0.73 -0.02 4.34 5.08 -1.97 -0.71 114.58 129.79 1ukc h GLU 429 Ca -0.42 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 1ukc h GLU 429 Cb 1.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1ukc h GLU 429 CO 0.61 0.48 -0.71 0.66 -1.00 0.00 0.00 179.01 179.05 1ukc h SER 430 N 0.75 0.14 -0.40 1.42 4.64 -1.98 -0.29 113.55 117.83 1ukc h SER 430 Ca 0.55 -0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.79 1ukc h SER 430 Cb 0.88 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1ukc h SER 430 CO -0.33 0.81 0.24 0.78 -0.87 0.00 0.00 176.83 177.46 1ukc h ASN 431 N 0.08 0.41 -0.44 4.97 2.35 -1.48 -1.70 115.58 119.77 1ukc h ASN 431 Ca -0.02 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1ukc h ASN 431 Cb 1.26 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1ukc h ASN 431 CO 0.10 0.29 0.05 0.40 -1.65 0.00 0.00 177.43 176.62 1ukc h ILE 432 N 0.50 1.25 0.00 2.81 1.08 -0.90 -1.81 117.51 120.43 1ukc h ILE 432 Ca 0.15 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1ukc h ILE 432 Cb -0.02 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1ukc h ILE 432 CO -0.06 0.32 -0.07 0.00 -0.69 0.00 0.00 178.15 177.66 1ukc h ALA 433 N 0.93 1.12 -0.00 1.87 0.00 -1.01 -1.51 119.26 120.66 1ukc h ALA 433 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ukc h ALA 433 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ukc h ALA 433 CO 0.01 0.08 -0.11 0.41 0.00 0.00 0.00 179.25 179.64 1ukc n GLY 434 N -0.50 -1.19 2.13 0.00 0.00 -0.65 -4.71 105.19 100.29 1ukc n GLY 434 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1ukc n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukc n GLY 435 N 1.36 0.62 0.69 -0.02 0.00 -0.57 -4.72 105.19 102.56 1ukc n GLY 435 Ca 0.11 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.51 1ukc n GLY 435 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ukc n ILE 436 N -2.87 0.38 0.00 -0.61 -5.35 -0.86 -4.82 119.36 105.23 1ukc n ILE 436 Ca -0.03 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1ukc n ILE 436 Cb 0.12 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1ukc n ILE 436 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ukc n GLY 437 N 0.84 3.18 3.22 3.28 0.00 -1.24 -3.29 105.19 111.17 1ukc n GLY 437 Ca 0.11 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1ukc n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukc s VAL 438 N 0.00 4.52 0.74 1.61 1.01 -1.26 -4.37 120.40 122.65 1ukc s VAL 438 Ca 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 61.98 59.68 1ukc s VAL 438 Cb 0.00 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1ukc s VAL 438 CO 0.00 -0.87 1.10 -2.16 0.00 0.00 0.00 175.10 173.17 1ukc s PRO 439 N 0.76 2.36 -0.16 2.72 0.04 -1.21 -0.93 135.00 138.59 1ukc s PRO 439 Ca 0.11 0.14 -0.38 0.00 0.04 0.00 0.00 61.00 60.92 1ukc s PRO 439 Cb -0.21 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 1ukc s PRO 439 CO -0.03 -1.28 1.72 1.58 0.04 0.00 0.00 177.00 179.03 1ukc n HIS 440 N -3.09 2.08 -1.60 0.56 -0.00 -1.26 -1.95 115.22 109.95 1ukc n HIS 440 Ca 0.07 0.39 -0.18 0.00 -0.00 0.00 0.00 57.72 58.00 1ukc n HIS 440 Cb 0.59 -2.50 -0.07 0.00 -0.00 0.00 0.00 29.99 28.01 1ukc n HIS 440 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1ukc n THR 441 N 4.42 -0.08 0.27 3.57 -2.24 -1.26 -4.90 114.28 114.07 1ukc n THR 441 Ca 0.24 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.17 1ukc n THR 441 Cb 0.19 -1.89 0.87 0.00 -2.10 0.00 0.00 70.33 67.40 1ukc n THR 441 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ukc h PHE 442 N 0.00 0.00 0.00 4.78 3.57 -1.76 -1.89 116.94 121.64 1ukc h PHE 442 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1ukc h PHE 442 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1ukc h PHE 442 CO 0.51 0.00 0.00 -0.85 -2.23 0.00 0.00 178.31 175.74 1ukc n GLU 443 N -3.89 0.54 -0.25 1.11 0.00 -1.26 -4.29 120.64 112.59 1ukc n GLU 443 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 57.16 57.23 1ukc n GLU 443 Cb 0.15 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.27 1ukc n GLU 443 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1ukc h LEU 444 N 0.00 0.12 -1.65 -1.84 3.38 -1.75 0.24 115.31 113.81 1ukc h LEU 444 Ca 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ukc h LEU 444 Cb 0.10 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ukc h LEU 444 CO 0.00 0.02 -0.12 -0.65 0.09 0.00 0.00 178.44 177.78 1ukc h PRO 445 N 0.33 0.00 0.00 1.13 0.11 -1.85 -1.40 132.00 130.32 1ukc h PRO 445 Ca 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 1ukc h PRO 445 Cb 0.67 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1ukc h PRO 445 CO -0.46 0.12 -0.52 0.00 -0.21 0.00 0.00 178.00 176.93 1ukc h ALA 446 N 1.88 0.99 0.05 -0.75 0.00 -0.83 0.22 119.26 120.81 1ukc h ALA 446 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1ukc h ALA 446 Cb 0.48 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ukc h ALA 446 CO 0.02 0.65 -0.33 0.82 0.00 0.00 0.00 179.25 180.41 1ukc h ILE 447 N 0.00 1.66 0.00 0.00 2.04 -0.86 -2.49 117.51 117.86 1ukc h ILE 447 Ca -0.01 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1ukc h ILE 447 Cb 1.01 3.23 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 1ukc h ILE 447 CO 0.07 0.63 -0.97 0.49 0.00 0.00 0.00 178.15 178.37 1ukc n PHE 448 N -4.42 0.00 0.00 1.37 3.01 -0.57 -4.48 117.46 112.37 1ukc n PHE 448 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1ukc n PHE 448 Cb 0.60 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 1ukc n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ukc n GLY 449 N 1.46 2.24 3.71 1.37 0.00 0.76 -4.38 105.19 110.34 1ukc n GLY 449 Ca 0.03 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 1ukc n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukc n ALA 450 N 1.84 2.56 0.00 4.61 0.00 -1.21 -1.48 120.51 126.82 1ukc n ALA 450 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ukc n ALA 450 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 16.96 1ukc n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukc n GLY 451 N 3.66 3.20 0.26 0.00 0.00 -1.26 -4.92 105.19 106.14 1ukc n GLY 451 Ca 0.15 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.33 1ukc n GLY 451 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ukc h SER 452 N 0.00 0.00 -0.29 1.61 0.02 -1.52 -3.22 113.55 110.15 1ukc h SER 452 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ukc h SER 452 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ukc h SER 452 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 1ukc n THR 453 N -3.09 1.71 0.00 -2.27 -2.24 -1.26 -1.09 114.28 106.04 1ukc n THR 453 Ca 0.02 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 1ukc n THR 453 Cb 0.38 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1ukc n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukc n GLY 454 N -0.10 2.83 3.73 3.38 0.00 -1.22 -5.02 105.19 108.79 1ukc n GLY 454 Ca 0.17 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1ukc n GLY 454 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukc s THR 455 N -2.36 3.00 0.25 2.61 2.01 -1.26 -4.14 115.64 115.74 1ukc s THR 455 Ca 0.00 0.75 -0.11 0.00 0.31 0.00 0.00 61.69 62.64 1ukc s THR 455 Cb 0.00 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 1ukc s THR 455 CO 0.00 0.08 0.60 -0.76 -0.69 0.00 0.00 174.62 173.85 1ukc s LEU 456 N 0.63 4.14 0.87 4.42 1.43 -1.26 -5.04 118.68 123.88 1ukc s LEU 456 Ca 0.64 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1ukc s LEU 456 Cb -0.39 -3.78 0.12 0.00 0.03 0.00 0.00 46.19 42.16 1ukc s LEU 456 CO 0.34 -0.11 1.16 -1.54 0.23 0.00 0.00 176.35 176.43 1ukc n SER 457 N -0.19 0.60 -0.25 2.29 3.41 -1.26 -4.92 113.62 113.30 1ukc n SER 457 Ca 0.01 0.49 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1ukc n SER 457 Cb 0.53 -1.49 0.28 0.00 -0.26 0.00 0.00 64.21 63.27 1ukc n SER 457 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ukc h SER 458 N -1.45 0.82 -0.55 4.04 0.02 -2.06 -2.60 113.55 111.77 1ukc h SER 458 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1ukc h SER 458 Cb 1.28 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ukc h SER 458 CO 0.43 0.54 0.00 -0.90 -1.14 0.00 0.00 176.83 175.76 1ukc n ASP 459 N -4.47 4.50 -4.69 3.07 5.75 -1.26 -4.98 116.55 114.46 1ukc n ASP 459 Ca 0.12 -2.52 -0.44 0.00 -0.01 0.00 0.00 54.79 51.94 1ukc n ASP 459 Cb 0.18 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 1ukc n ASP 459 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ukc n SER 460 N 0.84 3.35 0.25 -1.12 2.88 -0.98 -4.84 113.62 113.99 1ukc n SER 460 Ca 0.23 1.10 0.17 0.00 -1.33 0.00 0.00 58.87 59.04 1ukc n SER 460 Cb 0.88 -1.49 0.83 0.00 -0.75 0.00 0.00 64.21 63.68 1ukc n SER 460 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ukc h SER 461 N 5.52 0.00 0.67 -3.46 4.64 -1.93 -1.71 113.55 117.28 1ukc h SER 461 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ukc h SER 461 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ukc h SER 461 CO 0.86 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 178.70 1ukc h TYR 462 N 0.00 0.00 0.00 4.77 0.99 -1.88 0.31 116.97 121.16 1ukc h TYR 462 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ukc h TYR 462 Cb 0.16 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.89 1ukc h TYR 462 CO 0.00 0.00 -0.98 1.28 -0.00 0.00 0.00 178.16 178.46 1ukc n LEU 463 N -2.85 0.72 0.00 3.88 4.77 -0.64 -3.68 117.00 119.20 1ukc n LEU 463 Ca -0.00 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1ukc n LEU 463 Cb 0.22 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ukc n LEU 463 CO 0.23 0.15 0.00 0.35 -1.33 0.00 0.00 177.39 176.79 1ukc n THR 464 N -1.67 0.00 0.62 -5.08 -2.24 -0.62 -4.84 114.28 100.45 1ukc n THR 464 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1ukc n THR 464 Cb 0.38 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.07 1ukc n THR 464 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukc n TYR 465 N 0.00 0.57 -0.48 4.78 0.18 -1.08 -2.04 117.16 119.09 1ukc n TYR 465 Ca 0.00 0.19 0.09 0.00 1.88 0.00 0.00 57.90 60.06 1ukc n TYR 465 Cb 0.00 -0.80 0.28 0.00 -0.38 0.00 0.00 39.34 38.44 1ukc n TYR 465 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1ukc n ASN 466 N -1.98 3.97 -0.29 9.48 3.02 0.99 -4.61 115.26 125.84 1ukc n ASN 466 Ca 0.05 -2.27 0.04 0.00 -0.03 0.00 0.00 54.58 52.36 1ukc n ASN 466 Cb 0.32 -0.46 0.18 0.00 -0.61 0.00 0.00 39.78 39.21 1ukc n ASN 466 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukc h ALA 467 N 3.34 1.19 0.00 5.41 0.00 -1.40 -3.05 119.26 124.75 1ukc h ALA 467 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ukc h ALA 467 Cb 1.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ukc h ALA 467 CO 0.11 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1ukc h ALA 468 N 1.48 1.00 0.00 0.00 0.00 -1.82 -2.48 119.26 117.44 1ukc h ALA 468 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ukc h ALA 468 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ukc h ALA 468 CO -0.28 0.00 0.00 0.97 0.00 0.00 0.00 179.25 179.94 1ukc h ILE 469 N 0.00 0.00 0.54 0.00 6.09 -1.89 -3.34 117.51 118.91 1ukc h ILE 469 Ca 0.00 -0.66 -0.03 0.00 -1.37 0.00 0.00 64.86 62.80 1ukc h ILE 469 Cb 0.45 1.63 0.01 0.00 0.47 0.00 0.00 36.82 39.37 1ukc h ILE 469 CO 0.00 0.00 -0.26 0.40 -3.07 0.00 0.00 178.15 175.22 1ukc h ILE 470 N 0.00 0.32 -0.82 2.19 2.04 -1.61 -0.90 117.51 118.73 1ukc h ILE 470 Ca 0.00 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1ukc h ILE 470 Cb 0.75 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1ukc h ILE 470 CO 0.00 0.05 0.53 -0.65 0.00 0.00 0.00 178.15 178.08 1ukc h PRO 471 N -1.01 0.82 0.21 2.37 0.11 -1.76 0.87 132.00 133.60 1ukc h PRO 471 Ca -0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1ukc h PRO 471 Cb 0.63 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1ukc h PRO 471 CO 0.12 0.54 -0.10 0.28 -0.21 0.00 0.00 178.00 178.63 1ukc h VAL 472 N 0.84 0.88 -0.09 3.15 2.07 -1.67 -1.49 116.25 119.94 1ukc h VAL 472 Ca 0.36 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ukc h VAL 472 Cb 0.32 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ukc h VAL 472 CO -0.14 0.13 0.02 0.74 0.02 0.00 0.00 177.57 178.34 1ukc h THR 473 N -0.57 1.18 -0.52 2.57 2.02 -0.83 -2.72 112.91 114.05 1ukc h THR 473 Ca -0.03 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.64 1ukc h THR 473 Cb 0.42 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1ukc h THR 473 CO 0.05 0.16 0.25 -0.03 0.37 0.00 0.00 175.52 176.31 1ukc h MET 474 N -0.06 0.46 -0.75 6.66 -1.53 -0.35 -2.26 114.93 117.09 1ukc h MET 474 Ca 0.03 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1ukc h MET 474 Cb 0.23 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.15 1ukc h MET 474 CO -0.00 0.31 0.30 0.45 0.14 0.00 0.00 176.91 178.11 1ukc h HIS 475 N 0.48 1.15 -0.58 1.39 3.86 -1.19 -0.36 115.15 119.90 1ukc h HIS 475 Ca 0.24 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1ukc h HIS 475 Cb 0.18 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 1ukc h HIS 475 CO -0.12 0.88 0.33 1.88 0.86 0.00 0.00 177.93 181.76 1ukc h TYR 476 N 1.09 0.62 -0.26 2.45 0.05 -1.14 -0.21 116.97 119.57 1ukc h TYR 476 Ca 0.25 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.99 1ukc h TYR 476 Cb 0.21 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1ukc h TYR 476 CO 0.02 0.33 -0.08 0.74 -1.05 0.00 0.00 178.16 178.12 1ukc h PHE 477 N 0.65 0.58 -0.40 4.88 -1.00 -1.03 -1.27 116.94 119.35 1ukc h PHE 477 Ca 0.24 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1ukc h PHE 477 Cb 0.08 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1ukc h PHE 477 CO -0.07 0.74 0.25 0.82 -1.61 0.00 0.00 178.31 178.45 1ukc h ILE 478 N 0.26 1.12 -0.66 -0.55 2.04 -1.00 -1.18 117.51 117.54 1ukc h ILE 478 Ca 0.06 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1ukc h ILE 478 Cb 0.57 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1ukc h ILE 478 CO 0.03 0.12 0.36 -1.28 0.00 0.00 0.00 178.15 177.38 1ukc h SER 479 N 0.54 0.52 -0.63 1.72 0.87 -0.88 0.66 113.55 116.34 1ukc h SER 479 Ca 0.15 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1ukc h SER 479 Cb -0.02 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1ukc h SER 479 CO -0.03 0.33 0.19 0.15 -0.53 0.00 0.00 176.83 176.95 1ukc h PHE 480 N 0.66 1.03 -0.79 2.24 3.57 -0.96 0.19 116.94 122.87 1ukc h PHE 480 Ca 0.30 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1ukc h PHE 480 Cb 0.21 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1ukc h PHE 480 CO -0.09 0.84 0.51 0.28 -2.23 0.00 0.00 178.31 177.62 1ukc h VAL 481 N 0.92 1.14 0.04 1.41 2.07 -0.31 0.40 116.25 121.91 1ukc h VAL 481 Ca 0.20 -0.34 -0.25 0.00 0.82 0.00 0.00 66.70 67.13 1ukc h VAL 481 Cb 0.30 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ukc h VAL 481 CO -0.01 0.18 -1.06 1.56 0.02 0.00 0.00 177.57 178.26 1ukc h GLN 482 N 1.00 0.47 0.00 1.57 4.20 -0.55 -3.40 115.11 118.39 1ukc h GLN 482 Ca 0.31 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1ukc h GLN 482 Cb -0.01 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ukc h GLN 482 CO -0.10 1.21 0.00 0.25 -0.67 0.00 0.00 178.83 179.51 1ukc n THR 483 N -3.74 0.00 -2.16 -0.54 -2.24 0.02 -4.95 114.28 100.68 1ukc n THR 483 Ca -0.09 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1ukc n THR 483 Cb 0.90 1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 70.61 1ukc n THR 483 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ukc n LEU 484 N -0.05 -1.75 -3.66 3.22 4.77 0.14 -4.98 117.00 114.68 1ukc n LEU 484 Ca 0.00 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1ukc n LEU 484 Cb 0.13 -2.71 -0.11 0.00 -2.33 0.00 0.00 43.42 38.39 1ukc n LEU 484 CO 0.00 -0.39 -0.06 0.21 -1.33 0.00 0.00 177.39 175.82 1ukc s ASN 485 N -2.30 0.03 0.24 -1.43 3.84 -1.26 -4.93 114.94 109.14 1ukc s ASN 485 Ca 0.00 0.78 0.22 0.00 0.21 0.00 0.00 52.86 54.06 1ukc s ASN 485 Cb 0.00 0.97 0.96 0.00 -0.55 0.00 0.00 41.25 42.63 1ukc s ASN 485 CO 0.00 -0.23 1.66 -0.81 -2.79 0.00 0.00 177.10 174.93 1ukc n PRO 486 N 5.27 0.16 0.05 0.43 -0.04 -1.26 -3.24 135.00 136.38 1ukc n PRO 486 Ca -0.09 0.46 -0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1ukc n PRO 486 Cb 0.50 -1.85 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 1ukc n PRO 486 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1ukc h ASN 487 N 0.00 0.00 -0.43 3.54 2.35 -1.89 -3.32 115.58 115.82 1ukc h ASN 487 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1ukc h ASN 487 Cb 0.26 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1ukc h ASN 487 CO 0.00 0.95 0.04 0.74 -1.65 0.00 0.00 177.43 177.52 1ukc h THR 488 N 0.00 0.72 -0.75 2.81 2.02 -1.88 -2.63 112.91 113.20 1ukc h THR 488 Ca -0.05 -0.06 -0.51 0.00 0.77 0.00 0.00 66.41 66.57 1ukc h THR 488 Cb 1.77 0.54 -0.42 0.00 -1.74 0.00 0.00 68.15 68.29 1ukc h THR 488 CO 0.12 0.03 -0.86 -1.22 0.37 0.00 0.00 175.52 173.95 1ukc n TYR 489 N -5.15 2.56 -1.07 3.16 0.53 -1.26 -5.07 117.16 110.85 1ukc n TYR 489 Ca 0.04 -2.26 -0.31 0.00 -1.02 0.00 0.00 57.90 54.34 1ukc n TYR 489 Cb 0.22 -0.31 0.12 0.00 -1.03 0.00 0.00 39.34 38.34 1ukc n TYR 489 CO 0.00 0.00 0.00 -0.98 -1.02 0.00 0.00 176.86 174.86 1ukc s ARG 490 N -3.62 1.66 0.51 -0.72 1.70 -0.99 -4.71 118.95 112.78 1ukc s ARG 490 Ca 0.47 1.22 -0.23 0.00 -0.47 0.00 0.00 55.73 56.72 1ukc s ARG 490 Cb 0.40 -1.82 -0.06 0.00 -0.57 0.00 0.00 34.95 32.89 1ukc s ARG 490 CO 0.02 -2.08 1.29 0.98 -1.08 0.00 0.00 175.30 174.42 1ukc n TYR 491 N -3.82 2.08 -0.28 5.89 9.36 -1.26 -4.84 117.16 124.29 1ukc n TYR 491 Ca 0.09 0.45 0.01 0.00 3.32 0.00 0.00 57.90 61.78 1ukc n TYR 491 Cb 0.53 -2.34 0.08 0.00 -0.63 0.00 0.00 39.34 36.98 1ukc n TYR 491 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ukc h ALA 492 N 1.53 0.42 -0.57 2.98 0.00 -1.96 -0.28 119.26 121.38 1ukc h ALA 492 Ca -0.50 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ukc h ALA 492 Cb 1.31 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ukc h ALA 492 CO 0.57 -0.46 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1ukc n THR 493 N -5.51 0.76 -2.55 0.00 -2.24 -1.26 -4.98 114.28 98.51 1ukc n THR 493 Ca 0.10 -0.83 -0.36 0.00 -2.27 0.00 0.00 64.05 60.69 1ukc n THR 493 Cb 0.40 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 1ukc n THR 493 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukc s ALA 494 N -1.24 3.06 0.73 6.98 0.00 -0.12 -5.03 121.76 126.15 1ukc s ALA 494 Ca 0.43 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1ukc s ALA 494 Cb 0.23 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1ukc s ALA 494 CO 0.31 -0.22 1.07 -1.25 0.00 0.00 0.00 175.76 175.67 1ukc s PRO 495 N -2.58 2.65 0.28 0.00 0.04 -1.26 -4.88 135.00 129.24 1ukc s PRO 495 Ca 0.59 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1ukc s PRO 495 Cb -0.21 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1ukc s PRO 495 CO 0.27 -1.31 1.51 -2.00 0.04 0.00 0.00 177.00 175.51 1ukc s GLU 496 N -5.03 4.20 -0.38 4.56 2.12 -1.26 -4.99 118.70 117.92 1ukc s GLU 496 Ca 0.59 2.43 -0.10 0.00 0.36 0.00 0.00 54.97 58.26 1ukc s GLU 496 Cb -0.15 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.22 1ukc s GLU 496 CO 0.55 -0.51 0.21 -0.46 -0.54 0.00 0.00 175.26 174.50 1ukc s TRP 497 N -0.08 3.27 0.49 5.30 -0.11 -1.26 -4.80 118.94 121.75 1ukc s TRP 497 Ca 0.60 -1.20 -0.09 0.00 1.22 0.00 0.00 56.10 56.64 1ukc s TRP 497 Cb -0.45 -2.56 -0.05 0.00 -1.50 0.00 0.00 33.47 28.92 1ukc s TRP 497 CO 0.46 -0.72 0.85 -0.80 -4.62 0.00 0.00 176.95 172.12 1ukc s ASN 498 N 1.69 6.34 0.99 5.86 0.01 -1.26 -4.87 114.94 123.71 1ukc s ASN 498 Ca 0.02 1.13 -0.14 0.00 -0.71 0.00 0.00 52.86 53.16 1ukc s ASN 498 Cb -0.20 -2.33 0.19 0.00 0.41 0.00 0.00 41.25 39.31 1ukc s ASN 498 CO 0.05 -0.60 1.13 0.42 -1.51 0.00 0.00 177.10 176.59 1ukc s THR 499 N -2.74 1.93 0.25 1.60 -4.23 -1.26 -4.67 115.64 106.53 1ukc s THR 499 Ca 0.51 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 1ukc s THR 499 Cb -0.10 -2.65 0.23 0.00 1.34 0.00 0.00 72.50 71.32 1ukc s THR 499 CO 0.43 0.00 1.72 -0.25 -0.54 0.00 0.00 174.62 175.97 1ukc h TRP 500 N -1.82 0.51 0.00 3.99 2.91 -1.14 -3.42 115.95 116.98 1ukc h TRP 500 Ca -0.50 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.55 1ukc h TRP 500 Cb 1.32 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 1ukc h TRP 500 CO -0.24 0.03 0.00 0.41 -1.03 0.00 0.00 178.44 177.61 1ukc n GLY 501 N -1.33 4.33 1.68 2.65 0.00 -1.26 0.05 105.19 111.30 1ukc n GLY 501 Ca 0.16 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 1ukc n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ukc n ASN 502 N 8.64 4.47 0.00 1.61 0.23 -1.26 -4.87 115.26 124.09 1ukc n ASN 502 Ca 0.00 -3.22 0.00 0.00 -0.53 0.00 0.00 54.58 50.83 1ukc n ASN 502 Cb 0.00 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 1ukc n ASN 502 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ukc n GLY 503 N -0.27 0.65 3.08 4.83 0.00 0.11 -4.96 105.19 108.62 1ukc n GLY 503 Ca 0.35 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1ukc n GLY 503 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ukc s GLN 504 N -0.61 0.81 0.07 1.61 -1.52 0.07 -0.95 119.66 119.15 1ukc s GLN 504 Ca 0.00 -0.54 -0.13 0.00 -1.95 0.00 0.00 55.36 52.74 1ukc s GLN 504 Cb 0.00 -0.78 0.02 0.00 -0.22 0.00 0.00 33.01 32.03 1ukc s GLN 504 CO 0.00 0.20 0.30 -0.98 -0.25 0.00 0.00 175.29 174.56 1ukc s ARG 505 N -0.70 0.87 -0.17 2.91 1.70 -0.47 -4.19 118.95 118.90 1ukc s ARG 505 Ca 0.01 -0.65 -0.23 0.00 -0.47 0.00 0.00 55.73 54.39 1ukc s ARG 505 Cb -0.06 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1ukc s ARG 505 CO 0.00 -0.29 0.74 -1.17 -1.08 0.00 0.00 175.30 173.50 1ukc s LEU 506 N -2.39 4.18 -0.23 -1.89 2.96 -0.57 -0.80 118.68 119.93 1ukc s LEU 506 Ca -0.01 1.05 -0.24 0.00 -0.22 0.00 0.00 54.13 54.70 1ukc s LEU 506 Cb 0.01 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 1ukc s LEU 506 CO -0.07 -0.32 0.82 -0.60 -1.32 0.00 0.00 176.35 174.87 1ukc s ARG 507 N 1.89 4.19 -0.35 1.98 3.52 0.45 -0.74 118.95 129.89 1ukc s ARG 507 Ca 0.35 0.94 -0.16 0.00 -0.13 0.00 0.00 55.73 56.72 1ukc s ARG 507 Cb -0.16 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.58 1ukc s ARG 507 CO 0.12 -0.49 0.42 -0.51 -0.81 0.00 0.00 175.30 174.02 1ukc s LEU 508 N 2.75 4.46 -0.26 -0.88 1.43 -0.04 -2.24 118.68 123.91 1ukc s LEU 508 Ca 0.35 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 1ukc s LEU 508 Cb -0.15 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.72 1ukc s LEU 508 CO 0.08 -0.41 0.65 -1.58 0.23 0.00 0.00 176.35 175.32 1ukc s GLN 509 N 2.14 0.68 0.09 1.70 0.74 -1.26 -0.69 119.66 123.07 1ukc s GLN 509 Ca 0.14 1.12 -0.35 0.00 0.05 0.00 0.00 55.36 56.32 1ukc s GLN 509 Cb -0.16 0.16 -0.14 0.00 1.10 0.00 0.00 33.01 33.96 1ukc s GLN 509 CO 0.12 -0.14 1.58 2.41 -0.55 0.00 0.00 175.29 178.71 1ukc n THR 510 N 4.04 0.09 -1.37 -0.34 -1.04 -1.26 -0.82 114.28 113.60 1ukc n THR 510 Ca -0.19 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 1ukc n THR 510 Cb 0.58 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.61 1ukc n THR 510 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ukc n ASN 511 N 3.76 -5.30 -2.69 8.00 3.02 -1.26 -4.77 115.26 116.01 1ukc n ASN 511 Ca 0.18 0.33 -0.07 0.00 -0.03 0.00 0.00 54.58 54.99 1ukc n ASN 511 Cb 0.26 -4.17 0.11 0.00 -0.61 0.00 0.00 39.78 35.37 1ukc n ASN 511 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ukc n ASP 512 N -1.07 -1.47 -4.68 6.41 -0.08 0.00 -5.11 116.55 110.56 1ukc n ASP 512 Ca -0.13 -2.48 -0.36 0.00 -1.51 0.00 0.00 54.79 50.30 1ukc n ASP 512 Cb 0.59 0.81 -0.09 0.00 2.34 0.00 0.00 41.12 44.77 1ukc n ASP 512 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ukc s THR 513 N -0.23 5.35 -0.02 5.18 2.01 -1.07 -4.20 115.64 122.66 1ukc s THR 513 Ca 0.22 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1ukc s THR 513 Cb 0.41 -3.53 0.10 0.00 0.01 0.00 0.00 72.50 69.49 1ukc s THR 513 CO -0.08 0.36 0.88 0.00 -0.69 0.00 0.00 174.62 175.09 1ukc s ALA 514 N 0.88 -1.83 0.40 7.40 0.00 -0.95 -4.80 121.76 122.87 1ukc s ALA 514 Ca 0.10 1.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 1ukc s ALA 514 Cb -0.13 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 1ukc s ALA 514 CO 0.03 -0.61 1.17 -1.64 0.00 0.00 0.00 175.76 174.71 1ukc s MET 515 N -2.70 4.04 0.03 0.00 -1.94 -1.26 -0.41 119.30 117.06 1ukc s MET 515 Ca 0.03 1.82 -0.08 0.00 -1.71 0.00 0.00 55.69 55.75 1ukc s MET 515 Cb -0.01 -2.65 -0.00 0.00 2.01 0.00 0.00 34.83 34.18 1ukc s MET 515 CO -0.06 -0.33 0.16 -1.83 -0.01 0.00 0.00 175.02 172.95 1ukc s GLU 516 N -2.33 0.63 0.22 2.03 -1.05 0.02 -4.87 118.70 113.34 1ukc s GLU 516 Ca 0.58 -0.63 -0.27 0.00 -0.15 0.00 0.00 54.97 54.50 1ukc s GLU 516 Cb -0.30 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.56 1ukc s GLU 516 CO 0.38 -0.17 0.86 0.00 0.95 0.00 0.00 175.26 177.28 1ukc s ALA 517 N -2.39 3.38 0.02 -0.84 0.00 -1.26 -1.37 121.76 119.31 1ukc s ALA 517 Ca -0.07 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1ukc s ALA 517 Cb -0.02 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 1ukc s ALA 517 CO -0.03 0.25 1.60 0.08 0.00 0.00 0.00 175.76 177.65 1ukc s VAL 518 N -1.22 3.32 0.51 0.00 1.01 -0.12 -4.94 120.40 118.95 1ukc s VAL 518 Ca 0.40 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 1ukc s VAL 518 Cb -0.24 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1ukc s VAL 518 CO 0.28 -0.02 1.34 -2.84 0.00 0.00 0.00 175.10 173.86 1ukc s PRO 519 N 2.92 3.39 0.34 2.72 0.02 -1.26 -4.87 135.00 138.25 1ukc s PRO 519 Ca 0.72 2.19 0.10 0.00 0.02 0.00 0.00 61.00 64.03 1ukc s PRO 519 Cb -0.36 -2.39 0.87 0.00 0.02 0.00 0.00 34.50 32.64 1ukc s PRO 519 CO 0.30 -0.98 1.79 1.49 -0.33 0.00 0.00 177.00 179.27 1ukc h GLU 520 N 1.79 0.61 -0.75 5.54 4.57 -1.99 -1.64 114.58 122.71 1ukc h GLU 520 Ca -0.51 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1ukc h GLU 520 Cb 1.28 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 1ukc h GLU 520 CO 0.59 0.41 0.44 0.66 -1.18 0.00 0.00 179.01 179.92 1ukc h SER 521 N 0.63 0.90 -0.38 1.04 4.64 -1.99 -0.16 113.55 118.23 1ukc h SER 521 Ca 0.57 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.68 1ukc h SER 521 Cb 1.07 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1ukc h SER 521 CO -0.34 0.70 -0.34 0.28 -0.87 0.00 0.00 176.83 176.25 1ukc h SER 522 N 1.03 0.97 -0.80 4.97 0.02 -1.67 -1.12 113.55 116.95 1ukc h SER 522 Ca 0.27 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1ukc h SER 522 Cb -0.03 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 1ukc h SER 522 CO -0.05 1.21 0.33 -0.07 -1.14 0.00 0.00 176.83 177.12 1ukc h LEU 523 N 0.76 1.08 -0.51 5.07 3.38 -1.02 0.31 115.31 124.38 1ukc h LEU 523 Ca 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ukc h LEU 523 Cb 0.92 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1ukc h LEU 523 CO 0.09 0.95 0.23 1.56 0.09 0.00 0.00 178.44 181.36 1ukc h GLN 524 N 1.15 0.75 -0.72 1.13 4.20 -1.01 -1.18 115.11 119.43 1ukc h GLN 524 Ca 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1ukc h GLN 524 Cb 0.19 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1ukc h GLN 524 CO -0.02 0.64 0.34 -0.44 -0.67 0.00 0.00 178.83 178.67 1ukc h ASP 525 N 0.69 0.93 0.04 1.46 3.32 -0.70 -1.17 116.42 120.99 1ukc h ASP 525 Ca 0.17 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1ukc h ASP 525 Cb 0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1ukc h ASP 525 CO -0.02 0.79 -0.29 0.00 -1.72 0.00 0.00 179.24 178.01 1ukc h ALA 527 N 1.37 1.15 0.20 0.00 0.00 -0.72 0.20 119.26 121.46 1ukc h ALA 527 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ukc h ALA 527 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ukc h ALA 527 CO 0.05 0.54 -0.10 0.35 0.00 0.00 0.00 179.25 180.09 1ukc h PHE 528 N 0.57 -0.25 -0.81 0.00 3.57 -0.81 -1.96 116.94 117.25 1ukc h PHE 528 Ca 0.10 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1ukc h PHE 528 Cb 0.52 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1ukc h PHE 528 CO 0.02 -0.11 0.54 -1.49 -2.23 0.00 0.00 178.31 175.03 1ukc h TRP 529 N -0.32 1.02 -0.98 0.41 4.06 -1.15 -1.82 115.95 117.16 1ukc h TRP 529 Ca -0.03 0.02 0.10 0.00 2.06 0.00 0.00 58.89 61.05 1ukc h TRP 529 Cb 0.25 -0.34 -0.08 0.00 -1.00 0.00 0.00 29.16 27.99 1ukc h TRP 529 CO -0.05 0.64 0.63 -0.22 -3.56 0.00 0.00 178.44 175.88 1ukc h LYS 530 N 1.09 0.99 0.00 0.49 1.63 -0.75 -0.76 116.57 119.26 1ukc h LYS 530 Ca 0.30 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1ukc h LYS 530 Cb -0.12 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.28 1ukc h LYS 530 CO -0.06 0.66 0.00 -1.13 -3.45 0.00 0.00 179.45 175.46 1ukc n SER 531 N -4.57 0.00 -0.52 4.20 3.41 -0.69 -2.81 113.62 112.64 1ukc n SER 531 Ca 0.17 0.44 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 1ukc n SER 531 Cb 0.31 -0.47 0.14 0.00 -0.26 0.00 0.00 64.21 63.93 1ukc n SER 531 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ukc n LEU 532 N -1.47 2.88 0.12 1.04 4.77 -0.29 -4.71 117.00 119.35 1ukc n LEU 532 Ca 0.03 -2.26 0.03 0.00 -0.03 0.00 0.00 56.01 53.79 1ukc n LEU 532 Cb 0.13 -0.26 0.43 0.00 -2.33 0.00 0.00 43.42 41.40 1ukc n LEU 532 CO 0.10 0.67 0.96 0.71 -1.33 0.00 0.00 177.39 178.51 1ukc h THR 533 N 1.45 1.14 0.77 -5.08 1.35 -1.49 -2.21 112.91 108.84 1ukc h THR 533 Ca 0.00 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 1ukc h THR 533 Cb 0.83 1.06 0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1ukc h THR 533 CO 0.04 0.18 -0.37 0.58 -0.25 0.00 0.00 175.52 175.71 1ukc h VAL 534 N 0.25 0.00 -0.27 6.82 2.07 -1.84 0.08 116.25 123.35 1ukc h VAL 534 Ca 0.06 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1ukc h VAL 534 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1ukc h VAL 534 CO 0.01 0.00 0.05 1.55 0.02 0.00 0.00 177.57 179.20 1ukc h PRO 535 N -1.19 0.39 0.00 1.57 0.13 -1.87 -2.25 132.00 128.77 1ukc h PRO 535 Ca -0.11 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ukc h PRO 535 Cb 0.79 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ukc h PRO 535 CO 0.17 0.38 0.00 0.52 -0.23 0.00 0.00 178.00 178.84 1ukc h MET 536 N 0.38 0.00 -5.71 0.86 2.86 -1.42 -3.37 114.93 108.54 1ukc h MET 536 Ca 0.09 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.41 1ukc h MET 536 Cb 0.18 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.00 1ukc h MET 536 CO -0.00 0.00 -0.86 0.39 1.06 0.00 0.00 176.91 177.50 1ukc n GLU 537 N -2.56 -2.88 0.00 1.72 1.02 -0.03 -4.40 120.64 113.51 1ukc n GLU 537 Ca 0.04 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1ukc n GLU 537 Cb 0.42 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1ukc n GLU 537 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64