#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucx n GLN 15 N 0.00 0.65 -3.30 0.38 1.13 -1.26 -4.88 117.38 110.10 1ucx n GLN 15 Ca 0.00 -0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.99 1ucx n GLN 15 Cb 0.00 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 28.66 1ucx n GLN 15 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1ucx s LYS 16 N -3.05 0.40 0.14 -1.09 2.20 -1.26 -4.61 119.74 112.47 1ucx s LYS 16 Ca -0.07 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 1ucx s LYS 16 Cb 0.10 -0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.09 1ucx s LYS 16 CO 0.85 -0.70 1.24 -0.51 -0.36 0.00 0.00 175.35 175.86 1ucx s LEU 17 N 2.61 4.41 0.07 5.43 1.43 -0.18 -5.03 118.68 127.42 1ucx s LEU 17 Ca 0.14 2.20 0.08 0.00 -1.03 0.00 0.00 54.13 55.52 1ucx s LEU 17 Cb -0.15 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1ucx s LEU 17 CO -0.19 -0.45 -0.22 0.20 0.23 0.00 0.00 176.35 175.92 1ucx s ASN 18 N 0.56 2.64 -0.07 2.29 -0.87 -1.26 -4.60 114.94 113.64 1ucx s ASN 18 Ca 0.57 -0.61 -0.30 0.00 -1.57 0.00 0.00 52.86 50.95 1ucx s ASN 18 Cb -0.33 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.25 40.66 1ucx s ASN 18 CO 0.34 0.13 1.74 0.00 -2.57 0.00 0.00 177.10 176.74 1ucx s ALA 19 N -0.95 3.52 -0.04 0.60 0.00 -1.26 -4.75 121.76 118.87 1ucx s ALA 19 Ca 0.08 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1ucx s ALA 19 Cb -0.09 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1ucx s ALA 19 CO 0.03 -1.57 0.16 -0.51 0.00 0.00 0.00 175.76 173.87 1ucx s LEU 20 N 4.48 4.33 0.34 0.00 1.43 0.29 -4.83 118.68 124.72 1ucx s LEU 20 Ca 0.77 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.32 1ucx s LEU 20 Cb -0.34 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1ucx s LEU 20 CO 0.32 0.31 0.28 -0.54 0.23 0.00 0.00 176.35 176.95 1ucx s LYS 21 N -1.63 2.67 0.73 1.70 1.02 -1.26 -1.71 119.74 121.25 1ucx s LYS 21 Ca 0.23 -1.34 -0.14 0.00 0.02 0.00 0.00 55.97 54.74 1ucx s LYS 21 Cb -0.12 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1ucx s LYS 21 CO 0.14 0.07 1.14 -1.25 -0.92 0.00 0.00 175.35 174.53 1ucx s PRO 22 N -3.99 2.32 -0.07 -1.68 0.04 -1.26 -4.79 135.00 125.57 1ucx s PRO 22 Ca 0.41 1.48 0.10 0.00 0.04 0.00 0.00 61.00 63.03 1ucx s PRO 22 Cb -0.05 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.76 1ucx s PRO 22 CO 0.26 -1.64 1.04 -0.40 0.04 0.00 0.00 177.00 176.30 1ucx n ASP 23 N -2.89 1.61 -3.46 6.66 5.75 -1.00 -4.98 116.55 118.24 1ucx n ASP 23 Ca 0.11 -2.49 -0.09 0.00 -0.01 0.00 0.00 54.79 52.31 1ucx n ASP 23 Cb 0.52 -0.27 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 1ucx n ASP 23 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ucx s ASN 24 N -1.91 0.05 -0.09 -1.12 2.47 -1.17 -5.01 114.94 108.16 1ucx s ASN 24 Ca 0.17 0.51 0.00 0.00 0.42 0.00 0.00 52.86 53.96 1ucx s ASN 24 Cb 0.15 1.20 -0.03 0.00 -1.45 0.00 0.00 41.25 41.12 1ucx s ASN 24 CO 0.02 -0.27 -0.08 -0.13 -3.72 0.00 0.00 177.10 172.91 1ucx s ARG 25 N 2.57 2.92 -0.30 0.43 0.52 -1.26 -1.80 118.95 122.04 1ucx s ARG 25 Ca 0.08 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 1ucx s ARG 25 Cb -0.14 -2.61 0.10 0.00 0.52 0.00 0.00 34.95 32.81 1ucx s ARG 25 CO -0.15 0.54 0.11 0.42 0.02 0.00 0.00 175.30 176.25 1ucx s ILE 26 N -0.49 0.51 -0.29 1.52 1.01 -0.02 -4.96 121.20 118.48 1ucx s ILE 26 Ca 0.07 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.31 1ucx s ILE 26 Cb -0.12 -1.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 1ucx s ILE 26 CO 0.02 -0.67 1.39 -1.61 0.00 0.00 0.00 174.94 174.06 1ucx s GLU 27 N 1.80 3.85 0.44 2.79 2.02 -1.26 -1.74 118.70 126.61 1ucx s GLU 27 Ca 0.09 1.31 0.08 0.00 0.02 0.00 0.00 54.97 56.47 1ucx s GLU 27 Cb -0.17 -3.93 0.02 0.00 0.10 0.00 0.00 34.13 30.15 1ucx s GLU 27 CO -0.29 -1.21 0.58 -1.12 0.02 0.00 0.00 175.26 173.24 1ucx s SER 28 N 3.25 5.52 0.21 -0.19 0.01 -0.23 -4.84 113.70 117.43 1ucx s SER 28 Ca 0.60 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 57.24 1ucx s SER 28 Cb -0.18 -0.51 0.28 0.00 0.21 0.00 0.00 66.02 65.81 1ucx s SER 28 CO 0.25 -0.83 1.69 -0.08 0.41 0.00 0.00 173.24 174.69 1ucx h GLU 29 N 0.62 0.20 -0.08 12.44 4.81 -1.85 -3.01 114.58 127.71 1ucx h GLU 29 Ca -0.39 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1ucx h GLU 29 Cb 1.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1ucx h GLU 29 CO 0.46 0.13 -0.11 0.41 -0.73 0.00 0.00 179.01 179.17 1ucx n GLY 30 N -1.32 4.81 0.00 1.92 0.00 -1.16 -4.80 105.19 104.64 1ucx n GLY 30 Ca 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ucx n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucx n GLY 31 N -1.19 1.82 3.40 -0.02 0.00 -1.14 -1.16 105.19 106.89 1ucx n GLY 31 Ca 0.19 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1ucx n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ucx s LEU 32 N 0.00 0.07 -0.08 0.99 2.96 0.26 -1.06 118.68 121.82 1ucx s LEU 32 Ca 0.00 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1ucx s LEU 32 Cb 0.00 1.84 0.02 0.00 0.50 0.00 0.00 46.19 48.55 1ucx s LEU 32 CO 0.00 -0.37 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.95 1ucx s ILE 33 N -0.58 0.91 -0.10 6.68 1.01 -0.71 -0.95 121.20 127.46 1ucx s ILE 33 Ca -0.07 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1ucx s ILE 33 Cb -0.03 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1ucx s ILE 33 CO 0.04 0.32 -0.16 -1.61 0.00 0.00 0.00 174.94 173.54 1ucx s GLU 34 N 1.15 3.06 -0.02 2.79 2.02 -0.52 -0.84 118.70 126.35 1ucx s GLU 34 Ca -0.06 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.23 1ucx s GLU 34 Cb -0.14 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 1ucx s GLU 34 CO -0.02 0.32 -0.10 0.95 0.02 0.00 0.00 175.26 176.44 1ucx s THR 35 N 0.05 0.80 0.20 3.63 -4.23 -0.74 -0.74 115.64 114.61 1ucx s THR 35 Ca -0.06 -0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1ucx s THR 35 Cb -0.15 -0.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.93 1ucx s THR 35 CO 0.05 0.24 0.56 0.26 -0.54 0.00 0.00 174.62 175.18 1ucx s TRP 36 N -0.02 3.49 -0.22 3.99 0.51 -1.01 -2.38 118.94 123.29 1ucx s TRP 36 Ca 0.00 0.95 -0.29 0.00 -2.12 0.00 0.00 56.10 54.65 1ucx s TRP 36 Cb -0.06 -2.31 -0.03 0.00 -0.81 0.00 0.00 33.47 30.26 1ucx s TRP 36 CO 0.00 0.32 1.69 1.21 -0.51 0.00 0.00 176.95 179.66 1ucx s ASN 37 N -2.13 6.26 0.00 2.95 3.84 -1.26 -4.55 114.94 120.05 1ucx s ASN 37 Ca 0.44 1.63 0.17 0.00 0.21 0.00 0.00 52.86 55.32 1ucx s ASN 37 Cb -0.12 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 38.98 1ucx s ASN 37 CO 0.20 -1.35 1.61 -0.81 -2.79 0.00 0.00 177.10 173.96 1ucx n PRO 38 N 7.83 1.15 -0.04 0.43 -0.04 -1.26 -3.43 135.00 139.65 1ucx n PRO 38 Ca 0.20 -0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1ucx n PRO 38 Cb 0.45 -1.28 0.07 0.00 -0.04 0.00 0.00 33.50 32.70 1ucx n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ucx n ASN 39 N -0.54 2.20 -4.77 3.54 5.03 -1.26 -3.83 115.26 115.63 1ucx n ASN 39 Ca 0.13 -1.60 -0.41 0.00 0.87 0.00 0.00 54.58 53.58 1ucx n ASN 39 Cb 0.11 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1ucx n ASN 39 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1ucx s ASN 40 N -0.99 6.91 0.43 6.41 -0.87 -1.22 -4.76 114.94 120.85 1ucx s ASN 40 Ca 0.16 2.57 0.25 0.00 -1.57 0.00 0.00 52.86 54.27 1ucx s ASN 40 Cb 0.11 -2.64 1.27 0.00 -0.02 0.00 0.00 41.25 39.96 1ucx s ASN 40 CO 0.15 -0.43 1.73 0.50 -2.57 0.00 0.00 177.10 176.48 1ucx h LYS 41 N 3.50 0.24 0.02 -0.60 3.64 -1.93 -0.19 116.57 121.24 1ucx h LYS 41 Ca -0.48 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1ucx h LYS 41 Cb 1.22 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1ucx h LYS 41 CO 0.66 0.16 -0.20 -1.35 -2.27 0.00 0.00 179.45 176.45 1ucx h PRO 42 N 0.24 -0.31 0.00 1.90 0.11 -1.97 -1.06 132.00 130.91 1ucx h PRO 42 Ca 0.67 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.72 1ucx h PRO 42 Cb 1.97 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 33.14 1ucx h PRO 42 CO -0.29 -0.21 -0.39 0.74 -0.21 0.00 0.00 178.00 177.64 1ucx h PHE 43 N -0.33 0.00 -0.61 0.65 0.04 -1.41 -0.89 116.94 114.40 1ucx h PHE 43 Ca 0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1ucx h PHE 43 Cb 0.39 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1ucx h PHE 43 CO -0.24 0.39 0.21 1.96 -0.60 0.00 0.00 178.31 180.04 1ucx h GLN 44 N 0.00 0.94 -0.28 1.51 1.08 -0.78 -1.79 115.11 115.79 1ucx h GLN 44 Ca -0.00 -0.19 -0.14 0.00 -1.45 0.00 0.00 58.65 56.87 1ucx h GLN 44 Cb 0.87 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1ucx h GLN 44 CO 0.05 0.82 -0.38 0.00 -0.95 0.00 0.00 178.83 178.37 1ucx h ALA 46 N 0.68 0.11 -0.06 0.00 0.00 -1.18 -3.48 119.26 115.33 1ucx h ALA 46 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ucx h ALA 46 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ucx h ALA 46 CO 0.09 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1ucx n GLY 47 N 0.09 0.82 3.48 0.00 0.00 -0.68 -4.93 105.19 103.98 1ucx n GLY 47 Ca -0.07 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1ucx n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ucx s VAL 48 N -2.06 2.01 -0.08 1.61 -7.23 -1.25 -1.47 120.40 111.92 1ucx s VAL 48 Ca 0.00 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1ucx s VAL 48 Cb 0.00 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.44 1ucx s VAL 48 CO 0.00 -0.27 -0.17 0.00 -0.31 0.00 0.00 175.10 174.35 1ucx s ALA 49 N -2.77 1.64 0.12 1.32 0.00 -0.47 -4.82 121.76 116.77 1ucx s ALA 49 Ca 0.31 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1ucx s ALA 49 Cb 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ucx s ALA 49 CO 0.14 0.14 0.25 -1.17 0.00 0.00 0.00 175.76 175.13 1ucx s LEU 50 N 0.61 4.34 -0.14 0.00 0.20 -1.26 -2.09 118.68 120.34 1ucx s LEU 50 Ca -0.15 0.20 -0.14 0.00 0.69 0.00 0.00 54.13 54.73 1ucx s LEU 50 Cb -0.16 -2.92 0.04 0.00 -0.43 0.00 0.00 46.19 42.71 1ucx s LEU 50 CO 0.05 0.09 0.39 -0.55 -0.29 0.00 0.00 176.35 176.04 1ucx s SER 51 N -2.97 -0.40 -0.31 3.68 0.15 -0.92 -2.41 113.70 110.52 1ucx s SER 51 Ca 0.35 0.73 0.03 0.00 0.70 0.00 0.00 55.95 57.76 1ucx s SER 51 Cb -0.12 0.76 0.09 0.00 -1.71 0.00 0.00 66.02 65.04 1ucx s SER 51 CO 0.28 -0.17 0.03 -0.60 1.20 0.00 0.00 173.24 173.98 1ucx s ARG 52 N 0.06 1.42 -0.22 5.44 3.52 0.08 -1.58 118.95 127.67 1ucx s ARG 52 Ca -0.01 -1.56 -0.20 0.00 -0.13 0.00 0.00 55.73 53.83 1ucx s ARG 52 Cb -0.03 -2.85 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1ucx s ARG 52 CO 0.01 -0.87 0.60 0.00 -0.81 0.00 0.00 175.30 174.22 1ucx s THR 54 N 2.01 2.25 -0.16 0.00 -1.32 -0.13 -1.32 115.64 116.97 1ucx s THR 54 Ca 0.26 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.85 1ucx s THR 54 Cb -0.16 -1.92 0.02 0.00 -1.51 0.00 0.00 72.50 68.93 1ucx s THR 54 CO 0.10 0.54 -0.19 -1.48 -2.21 0.00 0.00 174.62 171.37 1ucx s LEU 55 N 0.91 2.02 0.00 9.08 2.34 0.21 -0.58 118.68 132.66 1ucx s LEU 55 Ca -0.04 -0.59 -0.03 0.00 0.06 0.00 0.00 54.13 53.52 1ucx s LEU 55 Cb -0.15 -1.39 0.05 0.00 -0.56 0.00 0.00 46.19 44.14 1ucx s LEU 55 CO -0.03 0.02 0.19 0.59 -1.06 0.00 0.00 176.35 176.06 1ucx n ASN 56 N 4.42 -0.95 -4.77 1.48 5.03 -0.31 -1.32 115.26 118.85 1ucx n ASN 56 Ca -0.20 -0.70 -0.41 0.00 0.87 0.00 0.00 54.58 54.14 1ucx n ASN 56 Cb 0.51 -0.17 -0.01 0.00 -1.02 0.00 0.00 39.78 39.09 1ucx n ASN 56 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1ucx s ARG 57 N -3.43 4.21 0.00 3.52 3.52 -1.25 -2.63 118.95 122.89 1ucx s ARG 57 Ca 0.12 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 1ucx s ARG 57 Cb -0.01 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1ucx s ARG 57 CO 0.09 -0.37 0.00 0.09 -0.81 0.00 0.00 175.30 174.30 1ucx n ASN 58 N 0.58 -5.28 -4.77 -2.12 5.03 -1.01 -4.86 115.26 102.83 1ucx n ASN 58 Ca 0.01 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.07 1ucx n ASN 58 Cb 0.41 -3.21 -0.04 0.00 -1.02 0.00 0.00 39.78 35.92 1ucx n ASN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ucx s ALA 59 N -1.08 3.25 -0.21 5.41 0.00 -1.08 -1.82 121.76 126.24 1ucx s ALA 59 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1ucx s ALA 59 Cb 0.00 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1ucx s ALA 59 CO 0.00 -0.25 -0.01 -1.17 0.00 0.00 0.00 175.76 174.33 1ucx s LEU 60 N -2.07 1.80 -0.02 0.00 1.98 0.46 -2.23 118.68 118.60 1ucx s LEU 60 Ca 0.52 -0.94 -0.30 0.00 -2.89 0.00 0.00 54.13 50.51 1ucx s LEU 60 Cb -0.28 -0.87 -0.05 0.00 0.66 0.00 0.00 46.19 45.65 1ucx s LEU 60 CO 0.36 -0.26 1.37 -0.60 -1.89 0.00 0.00 176.35 175.33 1ucx s ARG 61 N 1.64 4.29 0.48 1.98 3.52 0.32 -2.10 118.95 129.08 1ucx s ARG 61 Ca -0.03 1.91 -0.22 0.00 -0.13 0.00 0.00 55.73 57.26 1ucx s ARG 61 Cb -0.18 -3.60 -0.07 0.00 -1.56 0.00 0.00 34.95 29.54 1ucx s ARG 61 CO -0.07 -0.58 1.20 1.03 -0.81 0.00 0.00 175.30 176.07 1ucx s ARG 62 N 2.52 3.61 0.16 5.12 0.52 -0.59 -3.31 118.95 126.98 1ucx s ARG 62 Ca 0.62 1.84 -0.34 0.00 -0.52 0.00 0.00 55.73 57.34 1ucx s ARG 62 Cb -0.30 -2.35 -0.14 0.00 0.52 0.00 0.00 34.95 32.69 1ucx s ARG 62 CO 0.25 -0.69 1.57 -2.30 0.02 0.00 0.00 175.30 174.15 1ucx n PRO 63 N -0.65 2.13 -3.90 3.54 -0.02 -1.26 -4.82 135.00 130.02 1ucx n PRO 63 Ca 0.08 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1ucx n PRO 63 Cb 0.48 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 1ucx n PRO 63 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ucx s SER 64 N 0.89 -0.12 0.12 2.55 1.04 -0.98 -1.20 113.70 116.00 1ucx s SER 64 Ca 0.79 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 1ucx s SER 64 Cb -0.68 0.55 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1ucx s SER 64 CO 0.38 -1.05 0.28 -0.72 0.98 0.00 0.00 173.24 173.11 1ucx s TYR 65 N -3.95 0.10 0.12 5.02 -0.85 -0.45 -2.01 117.35 115.32 1ucx s TYR 65 Ca 0.16 -0.48 0.04 0.00 -0.52 0.00 0.00 57.07 56.27 1ucx s TYR 65 Cb 0.00 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 1ucx s TYR 65 CO 0.03 -0.64 -0.11 0.99 -1.52 0.00 0.00 175.55 174.30 1ucx s THR 66 N -3.87 1.09 -0.01 -3.49 2.01 -1.26 -0.82 115.64 109.29 1ucx s THR 66 Ca 0.07 -1.83 -0.00 0.00 0.31 0.00 0.00 61.69 60.25 1ucx s THR 66 Cb 0.03 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1ucx s THR 66 CO -0.09 -0.62 1.78 -0.46 -0.69 0.00 0.00 174.62 174.55 1ucx n ASN 67 N 0.24 4.87 -3.61 3.53 6.94 -1.26 -1.09 115.26 124.89 1ucx n ASN 67 Ca -0.14 -2.35 -0.02 0.00 -0.02 0.00 0.00 54.58 52.06 1ucx n ASN 67 Cb 0.59 -0.99 -0.01 0.00 -2.36 0.00 0.00 39.78 37.01 1ucx n ASN 67 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ucx s GLY 68 N 1.70 -0.35 0.31 4.83 0.00 -1.26 -4.26 107.32 108.29 1ucx s GLY 68 Ca 0.01 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 1ucx s GLY 68 CO 0.00 0.30 1.58 -4.14 0.00 0.00 0.00 173.10 170.83 1ucx s PRO 69 N -2.54 4.11 0.00 2.90 0.02 -1.26 -4.38 135.00 133.85 1ucx s PRO 69 Ca 0.11 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.74 1ucx s PRO 69 Cb 0.02 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.52 1ucx s PRO 69 CO -0.04 -0.62 -0.07 -1.14 -0.33 0.00 0.00 177.00 174.80 1ucx s GLN 70 N -0.81 0.55 -0.07 5.54 0.74 -0.83 -0.69 119.66 124.08 1ucx s GLN 70 Ca 0.61 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.69 1ucx s GLN 70 Cb -0.48 -0.51 0.04 0.00 1.10 0.00 0.00 33.01 33.16 1ucx s GLN 70 CO 0.51 0.14 0.09 -2.00 -0.55 0.00 0.00 175.29 173.47 1ucx s GLU 71 N -0.34 -0.03 -0.23 1.67 2.12 -0.91 -0.84 118.70 120.14 1ucx s GLU 71 Ca 0.01 0.34 -0.09 0.00 0.36 0.00 0.00 54.97 55.60 1ucx s GLU 71 Cb -0.03 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 1ucx s GLU 71 CO -0.00 -0.38 0.11 0.42 -0.54 0.00 0.00 175.26 174.87 1ucx s ILE 72 N 2.19 4.94 -0.19 -3.70 1.01 -0.01 -2.05 121.20 123.39 1ucx s ILE 72 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1ucx s ILE 72 Cb -0.13 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1ucx s ILE 72 CO -0.05 0.37 -0.02 -0.47 0.00 0.00 0.00 174.94 174.77 1ucx s TYR 73 N 1.03 3.01 -0.42 3.97 5.04 0.36 -0.10 117.35 130.24 1ucx s TYR 73 Ca 0.06 -0.52 -0.23 0.00 -2.44 0.00 0.00 57.07 53.94 1ucx s TYR 73 Cb -0.14 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.14 1ucx s TYR 73 CO 0.04 -0.26 0.77 0.42 -1.34 0.00 0.00 175.55 175.18 1ucx s ILE 74 N 0.94 4.70 0.06 3.14 1.09 -0.84 -1.71 121.20 128.57 1ucx s ILE 74 Ca 0.01 0.56 -0.17 0.00 -1.10 0.00 0.00 60.65 59.95 1ucx s ILE 74 Cb -0.14 -4.27 -0.17 0.00 -1.06 0.00 0.00 42.46 36.82 1ucx s ILE 74 CO 0.01 -0.60 1.25 -0.61 -0.10 0.00 0.00 174.94 174.90 1ucx h GLN 75 N 8.79 0.57 -2.45 2.79 4.15 -1.68 -0.59 115.11 126.70 1ucx h GLN 75 Ca -0.25 -0.46 -0.09 0.00 0.77 0.00 0.00 58.65 58.63 1ucx h GLN 75 Cb 1.09 0.09 -0.20 0.00 0.21 0.00 0.00 27.48 28.67 1ucx h GLN 75 CO 0.93 1.08 -0.02 1.14 -1.93 0.00 0.00 178.83 180.03 1ucx s GLN 76 N -3.73 0.86 0.00 1.69 -2.07 -1.20 -4.73 119.66 110.48 1ucx s GLN 76 Ca -0.12 0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.56 1ucx s GLN 76 Cb 0.06 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 1ucx s GLN 76 CO 0.84 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.98 1ucx n GLY 77 N 1.27 1.90 2.92 2.60 0.00 -1.24 -2.05 105.19 110.59 1ucx n GLY 77 Ca -0.19 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.47 1ucx n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ucx s LYS 78 N -1.60 0.15 0.00 1.61 1.02 -1.26 -1.97 119.74 117.69 1ucx s LYS 78 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.58 1ucx s LYS 78 Cb 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1ucx s LYS 78 CO 0.00 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1ucx n GLY 79 N 5.34 5.19 3.36 -3.33 0.00 -1.20 -3.95 105.19 110.60 1ucx n GLY 79 Ca -0.06 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1ucx n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ucx s ILE 80 N -0.81 2.05 0.02 -0.61 -4.36 -0.59 -2.83 121.20 114.08 1ucx s ILE 80 Ca 0.00 -1.74 -0.04 0.00 -0.26 0.00 0.00 60.65 58.61 1ucx s ILE 80 Cb 0.00 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 1ucx s ILE 80 CO 0.00 -0.02 0.06 0.72 0.24 0.00 0.00 174.94 175.94 1ucx s PHE 81 N -1.26 0.20 -0.20 1.37 -0.71 -0.43 -1.29 117.98 115.66 1ucx s PHE 81 Ca 0.13 -0.45 -0.14 0.00 -1.04 0.00 0.00 56.93 55.43 1ucx s PHE 81 Cb -0.09 -0.15 0.06 0.00 -1.21 0.00 0.00 43.02 41.63 1ucx s PHE 81 CO 0.06 -0.29 0.49 0.20 -1.34 0.00 0.00 175.22 174.34 1ucx s GLY 82 N -1.78 -0.40 -0.18 1.99 0.00 -0.49 -1.33 107.32 105.13 1ucx s GLY 82 Ca -0.10 1.64 -0.02 0.00 0.00 0.00 0.00 44.72 46.24 1ucx s GLY 82 CO -0.02 1.62 -0.11 1.06 0.00 0.00 0.00 173.10 175.66 1ucx s MET 83 N 1.00 3.30 -0.88 2.90 -1.94 -1.26 -1.60 119.30 120.81 1ucx s MET 83 Ca -0.06 -0.69 -0.21 0.00 -1.71 0.00 0.00 55.69 53.02 1ucx s MET 83 Cb -0.06 -2.79 0.09 0.00 2.01 0.00 0.00 34.83 34.08 1ucx s MET 83 CO -0.09 -0.05 1.19 0.42 -0.01 0.00 0.00 175.02 176.48 1ucx s ILE 84 N 1.04 4.35 -0.18 2.53 1.01 0.38 -4.83 121.20 125.49 1ucx s ILE 84 Ca -0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 1ucx s ILE 84 Cb -0.15 -4.84 -0.03 0.00 0.01 0.00 0.00 42.46 37.45 1ucx s ILE 84 CO -0.02 -1.63 0.56 -0.47 0.00 0.00 0.00 174.94 173.38 1ucx s TYR 85 N 3.81 3.40 0.07 3.97 6.14 -1.26 -3.75 117.35 129.72 1ucx s TYR 85 Ca 0.34 0.86 -0.15 0.00 0.64 0.00 0.00 57.07 58.75 1ucx s TYR 85 Cb -0.06 -2.71 -0.05 0.00 0.42 0.00 0.00 41.96 39.56 1ucx s TYR 85 CO -0.03 -0.09 1.26 -1.00 0.64 0.00 0.00 175.55 176.32 1ucx h PRO 86 N 7.36 -0.12 -5.67 4.97 0.13 -1.98 -3.21 132.00 133.47 1ucx h PRO 86 Ca -0.34 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.15 1ucx h PRO 86 Cb 1.15 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 1ucx h PRO 86 CO 0.75 -0.08 1.50 0.20 -0.23 0.00 0.00 178.00 180.14 1ucx s GLY 87 N -1.66 1.61 0.01 1.56 0.00 -1.26 -4.91 107.32 102.68 1ucx s GLY 87 Ca -0.06 -2.64 -0.28 0.00 0.00 0.00 0.00 44.72 41.74 1ucx s GLY 87 CO 0.29 2.48 0.69 0.00 0.00 0.00 0.00 173.10 176.57 1ucx s PRO 89 N -2.07 4.17 -0.28 0.00 0.04 -1.26 -5.05 135.00 130.55 1ucx s PRO 89 Ca -0.06 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 60.94 1ucx s PRO 89 Cb -0.00 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1ucx s PRO 89 CO 0.01 0.34 1.20 -1.12 0.04 0.00 0.00 177.00 177.47 1ucx s SER 90 N 0.11 6.83 0.00 6.66 0.01 -1.26 -4.61 113.70 121.45 1ucx s SER 90 Ca 0.21 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1ucx s SER 90 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1ucx s SER 90 CO 0.08 -0.94 0.00 0.35 0.41 0.00 0.00 173.24 173.14 1ucx n THR 91 N 5.91 0.00 0.00 1.44 -2.24 -1.26 -4.60 114.28 113.53 1ucx n THR 91 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ucx n THR 91 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1ucx n THR 91 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ucx n ARG 110 N 0.00 0.00 -3.48 -0.78 5.12 -1.26 -4.96 116.66 111.30 1ucx n ARG 110 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1ucx n ARG 110 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 1ucx n ARG 110 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1ucx s HIS 111 N 0.00 -0.56 1.12 -1.55 -3.43 -1.26 -5.17 115.29 104.44 1ucx s HIS 111 Ca 0.00 0.63 -0.13 0.00 -0.80 0.00 0.00 55.06 54.76 1ucx s HIS 111 Cb 0.00 0.47 0.26 0.00 -1.43 0.00 0.00 32.58 31.88 1ucx s HIS 111 CO 0.00 -0.73 1.05 -0.65 -2.00 0.00 0.00 174.74 172.40 1ucx s GLN 112 N -2.65 -0.60 0.18 -0.38 -0.21 -1.26 -4.70 119.66 110.03 1ucx s GLN 112 Ca -0.04 0.64 -0.33 0.00 0.02 0.00 0.00 55.36 55.65 1ucx s GLN 112 Cb -0.01 -1.61 -0.13 0.00 1.00 0.00 0.00 33.01 32.27 1ucx s GLN 112 CO -0.03 -3.45 1.66 1.63 -2.12 0.00 0.00 175.29 172.97 1ucx n LYS 113 N -4.70 2.46 -4.03 2.91 5.02 -1.26 -4.74 118.16 113.81 1ucx n LYS 113 Ca 0.04 0.89 -0.35 0.00 -2.02 0.00 0.00 58.31 56.86 1ucx n LYS 113 Cb 0.56 -2.70 -0.12 0.00 -0.02 0.00 0.00 35.03 32.75 1ucx n LYS 113 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ucx s ILE 114 N 1.11 4.17 0.09 -0.18 1.01 -1.26 -4.20 121.20 121.94 1ucx s ILE 114 Ca 0.77 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1ucx s ILE 114 Cb -0.59 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1ucx s ILE 114 CO 0.35 0.42 0.12 -0.31 0.00 0.00 0.00 174.94 175.53 1ucx s TYR 115 N 0.94 3.26 0.47 3.97 1.51 -0.44 -4.74 117.35 122.32 1ucx s TYR 115 Ca 0.02 0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1ucx s TYR 115 Cb -0.14 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1ucx s TYR 115 CO 0.02 0.53 0.69 -0.80 -1.11 0.00 0.00 175.55 174.89 1ucx s ASN 116 N -2.55 5.72 0.12 2.29 0.02 -1.26 -1.31 114.94 117.97 1ucx s ASN 116 Ca 0.31 0.23 -0.17 0.00 -1.02 0.00 0.00 52.86 52.20 1ucx s ASN 116 Cb -0.12 -1.40 0.04 0.00 0.02 0.00 0.00 41.25 39.79 1ucx s ASN 116 CO 0.24 -0.79 0.44 0.72 0.02 0.00 0.00 177.10 177.72 1ucx s PHE 117 N -2.60 -0.27 0.10 2.20 -0.12 -1.13 -4.89 117.98 111.27 1ucx s PHE 117 Ca 0.50 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.38 1ucx s PHE 117 Cb -0.10 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1ucx s PHE 117 CO 0.38 -0.71 -0.03 1.03 -0.05 0.00 0.00 175.22 175.84 1ucx s ARG 118 N -3.65 0.81 0.11 1.99 0.52 -1.26 -3.23 118.95 114.23 1ucx s ARG 118 Ca 0.02 -1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 53.58 1ucx s ARG 118 Cb 0.01 0.00 -0.08 0.00 0.52 0.00 0.00 34.95 35.40 1ucx s ARG 118 CO -0.11 -0.10 1.53 -1.83 0.02 0.00 0.00 175.30 174.80 1ucx s GLU 119 N -3.91 4.24 0.00 3.54 -1.05 -0.83 -1.95 118.70 118.74 1ucx s GLU 119 Ca 0.14 2.23 0.00 0.00 -0.15 0.00 0.00 54.97 57.19 1ucx s GLU 119 Cb 0.07 -3.35 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 1ucx s GLU 119 CO -0.04 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 175.98 1ucx n GLY 120 N 3.74 0.68 3.72 -3.83 0.00 -0.23 -3.71 105.19 105.56 1ucx n GLY 120 Ca 0.14 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1ucx n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ucx n ASP 121 N 0.00 3.59 -4.42 1.61 9.92 -0.82 -0.44 116.55 125.99 1ucx n ASP 121 Ca 0.00 1.14 -0.37 0.00 -0.53 0.00 0.00 54.79 55.03 1ucx n ASP 121 Cb 0.00 -1.55 -0.12 0.00 -0.64 0.00 0.00 41.12 38.81 1ucx n ASP 121 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ucx s LEU 122 N -0.16 3.63 -0.16 0.64 2.96 -0.08 -1.98 118.68 123.53 1ucx s LEU 122 Ca 0.66 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.10 1ucx s LEU 122 Cb -0.54 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1ucx s LEU 122 CO 0.47 -0.10 0.15 -0.63 -1.32 0.00 0.00 176.35 174.92 1ucx s ILE 123 N 1.58 5.44 -0.21 6.68 1.01 0.85 -1.40 121.20 135.15 1ucx s ILE 123 Ca 0.05 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.85 1ucx s ILE 123 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1ucx s ILE 123 CO 0.04 0.51 0.08 0.00 0.00 0.00 0.00 174.94 175.57 1ucx s ALA 124 N -0.20 3.35 -0.39 9.38 0.00 -0.94 -0.83 121.76 132.13 1ucx s ALA 124 Ca 0.11 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1ucx s ALA 124 Cb -0.12 -2.04 0.11 0.00 0.00 0.00 0.00 23.12 21.08 1ucx s ALA 124 CO 0.01 -0.11 0.14 0.08 0.00 0.00 0.00 175.76 175.88 1ucx s VAL 125 N 0.92 1.76 0.76 0.00 1.01 -0.02 -4.91 120.40 119.93 1ucx s VAL 125 Ca 0.04 -2.31 -0.15 0.00 0.00 0.00 0.00 61.98 59.56 1ucx s VAL 125 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1ucx s VAL 125 CO 0.03 -0.72 0.76 -2.65 0.00 0.00 0.00 175.10 172.52 1ucx n PRO 126 N 4.05 0.27 -1.67 2.72 -0.02 -1.26 -1.97 135.00 137.13 1ucx n PRO 126 Ca 0.04 0.15 -0.49 0.00 -2.02 0.00 0.00 63.50 61.18 1ucx n PRO 126 Cb 0.39 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1ucx n PRO 126 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ucx n THR 127 N -2.72 0.23 0.00 3.45 -1.04 -1.26 -2.44 114.28 110.50 1ucx n THR 127 Ca 0.11 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1ucx n THR 127 Cb 0.50 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1ucx n THR 127 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ucx n GLY 128 N 3.71 2.93 3.68 3.41 0.00 -0.25 -4.92 105.19 113.75 1ucx n GLY 128 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1ucx n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ucx s VAL 129 N -1.14 2.71 0.03 1.61 1.01 -1.02 -4.71 120.40 118.88 1ucx s VAL 129 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1ucx s VAL 129 Cb 0.00 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 1ucx s VAL 129 CO 0.00 -0.00 0.66 0.00 0.00 0.00 0.00 175.10 175.76 1ucx s ALA 130 N 3.38 3.45 0.26 5.51 0.00 -1.25 -4.68 121.76 128.44 1ucx s ALA 130 Ca 0.84 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.97 1ucx s ALA 130 Cb -0.45 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1ucx s ALA 130 CO 0.38 0.17 0.05 1.67 0.00 0.00 0.00 175.76 178.02 1ucx s TRP 131 N -0.31 1.63 -0.03 0.00 1.48 -0.85 -0.47 118.94 120.38 1ucx s TRP 131 Ca 0.34 -1.02 -0.10 0.00 -1.06 0.00 0.00 56.10 54.25 1ucx s TRP 131 Cb -0.19 -0.98 0.02 0.00 -1.16 0.00 0.00 33.47 31.15 1ucx s TRP 131 CO 0.20 -0.14 0.23 1.67 -4.06 0.00 0.00 176.95 174.85 1ucx s TRP 132 N -3.52 -0.13 -0.01 1.66 1.48 -0.63 -2.32 118.94 115.47 1ucx s TRP 132 Ca 0.33 0.25 0.02 0.00 -1.06 0.00 0.00 56.10 55.64 1ucx s TRP 132 Cb 0.07 0.04 -0.00 0.00 -1.16 0.00 0.00 33.47 32.42 1ucx s TRP 132 CO 0.12 -0.27 -0.07 1.41 -4.06 0.00 0.00 176.95 174.09 1ucx s MET 133 N -0.86 0.61 -0.00 3.25 1.75 -1.21 -1.40 119.30 121.44 1ucx s MET 133 Ca -0.09 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 1ucx s MET 133 Cb -0.05 -0.60 -0.00 0.00 2.84 0.00 0.00 34.83 37.02 1ucx s MET 133 CO 0.02 0.11 -0.04 -0.47 -0.65 0.00 0.00 175.02 174.00 1ucx s TYR 134 N 0.01 0.36 0.03 4.11 5.04 -0.41 -0.52 117.35 125.97 1ucx s TYR 134 Ca 0.00 -0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.59 1ucx s TYR 134 Cb -0.05 -0.24 -0.04 0.00 0.35 0.00 0.00 41.96 41.99 1ucx s TYR 134 CO -0.00 -0.01 0.00 1.21 -1.34 0.00 0.00 175.55 175.41 1ucx s ASN 135 N -0.04 5.11 0.00 4.32 2.47 -0.95 -1.54 114.94 124.31 1ucx s ASN 135 Ca 0.01 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.23 1ucx s ASN 135 Cb -0.02 -1.30 0.00 0.00 -1.45 0.00 0.00 41.25 38.48 1ucx s ASN 135 CO -0.00 0.24 0.00 -3.20 -3.72 0.00 0.00 177.10 170.42 1ucx n ASN 136 N 1.09 2.48 -4.84 -4.21 5.15 -1.25 -2.41 115.26 111.27 1ucx n ASN 136 Ca -0.13 -0.21 -0.22 0.00 -0.60 0.00 0.00 54.58 53.42 1ucx n ASN 136 Cb 0.52 0.92 0.07 0.00 -0.53 0.00 0.00 39.78 40.76 1ucx n ASN 136 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ucx s GLU 137 N -1.41 2.09 0.17 1.20 0.41 -1.26 -4.55 118.70 115.35 1ucx s GLU 137 Ca 0.00 -1.08 -0.11 0.00 -0.41 0.00 0.00 54.97 53.37 1ucx s GLU 137 Cb 0.00 -2.44 0.05 0.00 -1.78 0.00 0.00 34.13 29.96 1ucx s GLU 137 CO 0.00 -1.08 1.64 -0.44 -0.49 0.00 0.00 175.26 174.89 1ucx h ASP 138 N -0.19 0.96 -2.62 -0.19 3.32 -1.98 -3.33 116.42 112.40 1ucx h ASP 138 Ca -0.37 -0.28 -0.54 0.00 0.02 0.00 0.00 57.03 55.85 1ucx h ASP 138 Cb 1.28 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1ucx h ASP 138 CO 0.44 1.01 1.07 -0.89 -1.72 0.00 0.00 179.24 179.15 1ucx s THR 139 N -5.11 3.50 0.79 0.35 2.01 -1.26 -4.43 115.64 111.49 1ucx s THR 139 Ca -0.12 0.67 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 1ucx s THR 139 Cb 0.13 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 69.28 1ucx s THR 139 CO 0.84 -0.05 1.20 -2.84 -0.69 0.00 0.00 174.62 173.08 1ucx s PRO 140 N 3.81 1.79 -0.20 4.92 0.02 -1.26 -4.75 135.00 139.33 1ucx s PRO 140 Ca 0.74 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 63.29 1ucx s PRO 140 Cb -0.34 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 1ucx s PRO 140 CO 0.30 -2.09 0.54 0.08 -0.33 0.00 0.00 177.00 175.50 1ucx s VAL 141 N -2.15 5.09 -0.19 3.83 1.01 -0.43 -3.68 120.40 123.87 1ucx s VAL 141 Ca 0.73 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.69 1ucx s VAL 141 Cb -0.28 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ucx s VAL 141 CO 0.49 0.16 -0.11 -0.69 0.00 0.00 0.00 175.10 174.96 1ucx s VAL 142 N 1.72 2.94 -0.29 2.92 1.01 -0.87 -0.62 120.40 127.20 1ucx s VAL 142 Ca 0.25 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1ucx s VAL 142 Cb -0.15 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1ucx s VAL 142 CO 0.10 0.48 0.08 0.00 0.00 0.00 0.00 175.10 175.76 1ucx s ALA 143 N 1.14 1.57 0.06 5.51 0.00 -0.44 -1.66 121.76 127.95 1ucx s ALA 143 Ca 0.01 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.15 1ucx s ALA 143 Cb -0.14 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1ucx s ALA 143 CO -0.03 -1.59 0.67 0.54 0.00 0.00 0.00 175.76 175.35 1ucx s VAL 144 N 1.59 4.72 -0.10 0.00 0.11 -0.69 -2.63 120.40 123.40 1ucx s VAL 144 Ca 0.08 1.43 -0.17 0.00 -2.93 0.00 0.00 61.98 60.38 1ucx s VAL 144 Cb -0.17 -4.01 0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1ucx s VAL 144 CO -0.21 0.46 0.43 -0.94 -3.33 0.00 0.00 175.10 171.50 1ucx s SER 145 N -0.56 -0.39 0.01 3.54 1.04 -0.62 -0.48 113.70 116.24 1ucx s SER 145 Ca 0.33 0.59 0.06 0.00 0.48 0.00 0.00 55.95 57.41 1ucx s SER 145 Cb -0.20 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1ucx s SER 145 CO 0.21 -0.32 -0.17 0.27 0.98 0.00 0.00 173.24 174.21 1ucx s ILE 146 N -0.50 2.82 -0.31 -1.02 -4.36 -0.87 -2.17 121.20 114.78 1ucx s ILE 146 Ca -0.06 -1.06 -0.12 0.00 -0.26 0.00 0.00 60.65 59.15 1ucx s ILE 146 Cb -0.03 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1ucx s ILE 146 CO 0.03 0.42 0.21 -0.63 0.24 0.00 0.00 174.94 175.20 1ucx s ILE 147 N -0.86 5.16 -1.22 8.37 1.01 -0.89 -2.14 121.20 130.62 1ucx s ILE 147 Ca 0.14 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1ucx s ILE 147 Cb -0.10 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ucx s ILE 147 CO 0.04 0.10 2.03 -0.67 0.00 0.00 0.00 174.94 176.43 1ucx n ASP 148 N 5.07 3.63 -0.00 3.58 2.03 0.14 -1.37 116.55 129.63 1ucx n ASP 148 Ca -0.13 -2.80 0.23 0.00 0.52 0.00 0.00 54.79 52.61 1ucx n ASP 148 Cb 0.50 -1.54 0.72 0.00 -0.72 0.00 0.00 41.12 40.09 1ucx n ASP 148 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1ucx h THR 149 N 4.62 0.43 -0.29 5.18 1.35 -1.63 -0.45 112.91 122.12 1ucx h THR 149 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.34 1ucx h THR 149 Cb 0.72 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1ucx h THR 149 CO 1.77 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 173.84 1ucx n ASN 150 N -3.90 2.06 -4.77 5.36 5.15 -0.54 -4.76 115.26 113.86 1ucx n ASN 150 Ca 0.11 -2.12 -0.30 0.00 -0.60 0.00 0.00 54.58 51.67 1ucx n ASN 150 Cb 0.75 -0.32 0.10 0.00 -0.53 0.00 0.00 39.78 39.78 1ucx n ASN 150 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1ucx s SER 151 N -0.79 4.31 0.39 1.20 0.15 -0.18 -4.93 113.70 113.86 1ucx s SER 151 Ca 0.21 1.61 0.19 0.00 0.70 0.00 0.00 55.95 58.67 1ucx s SER 151 Cb 0.13 -2.34 0.77 0.00 -1.71 0.00 0.00 66.02 62.87 1ucx s SER 151 CO 0.12 -2.12 1.78 -0.07 1.20 0.00 0.00 173.24 174.14 1ucx h LEU 152 N -1.19 0.00 0.00 3.45 4.07 -1.92 -2.53 115.31 117.19 1ucx h LEU 152 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1ucx h LEU 152 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1ucx h LEU 152 CO 0.54 0.34 0.00 -0.62 -1.08 0.00 0.00 178.44 177.62 1ucx n GLU 153 N -3.58 0.12 -3.20 1.13 -0.58 -1.26 -4.38 120.64 108.90 1ucx n GLU 153 Ca -0.00 0.08 -0.46 0.00 -0.42 0.00 0.00 57.16 56.36 1ucx n GLU 153 Cb 0.47 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 1ucx n GLU 153 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ucx s ASN 154 N -2.84 6.78 0.00 1.62 3.84 -0.95 -4.82 114.94 118.56 1ucx s ASN 154 Ca 0.15 -2.58 0.24 0.00 0.21 0.00 0.00 52.86 50.88 1ucx s ASN 154 Cb 0.16 -2.27 1.41 0.00 -0.55 0.00 0.00 41.25 40.00 1ucx s ASN 154 CO 0.41 -0.70 1.88 0.00 -2.79 0.00 0.00 177.10 175.89 1ucx n GLN 155 N 4.70 0.95 0.00 0.43 6.02 -1.26 -4.72 117.38 123.51 1ucx n GLN 155 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1ucx n GLN 155 Cb 0.47 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1ucx n GLN 155 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ucx n LEU 156 N -0.89 0.00 -4.85 1.08 4.77 -1.26 -5.13 117.00 110.73 1ucx n LEU 156 Ca 0.18 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1ucx n LEU 156 Cb 0.08 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1ucx n LEU 156 CO 0.13 0.00 -0.09 1.51 -1.33 0.00 0.00 177.39 177.61 1ucx s ASP 157 N -1.00 4.39 0.00 -1.43 1.47 -1.26 -5.01 116.67 113.83 1ucx s ASP 157 Ca 0.00 -1.48 0.07 0.00 1.18 0.00 0.00 52.55 52.32 1ucx s ASP 157 Cb 0.00 0.57 0.45 0.00 -0.34 0.00 0.00 42.92 43.60 1ucx s ASP 157 CO 0.00 -1.03 0.86 0.00 0.68 0.00 0.00 175.17 175.68 1ucx n GLN 158 N -1.55 0.34 -2.61 2.11 10.64 -1.26 -4.72 117.38 120.32 1ucx n GLN 158 Ca -0.11 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.65 1ucx n GLN 158 Cb 0.66 -1.35 -0.04 0.00 -0.86 0.00 0.00 30.24 28.65 1ucx n GLN 158 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1ucx s MET 159 N -2.00 4.63 0.51 2.61 -1.94 -1.26 -4.89 119.30 116.96 1ucx s MET 159 Ca 0.11 1.59 -0.21 0.00 -1.71 0.00 0.00 55.69 55.48 1ucx s MET 159 Cb 0.05 -3.33 -0.07 0.00 2.01 0.00 0.00 34.83 33.50 1ucx s MET 159 CO 0.09 0.12 1.13 -1.25 -0.01 0.00 0.00 175.02 175.09 1ucx s PRO 160 N -0.09 3.52 -0.14 2.03 0.04 -1.26 -5.03 135.00 134.06 1ucx s PRO 160 Ca 0.49 1.63 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1ucx s PRO 160 Cb -0.26 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.20 1ucx s PRO 160 CO 0.32 -0.72 0.34 1.03 0.04 0.00 0.00 177.00 178.01 1ucx s ARG 161 N -3.11 0.32 -0.05 4.56 0.52 -1.26 -4.84 118.95 115.10 1ucx s ARG 161 Ca 0.70 0.66 0.01 0.00 -0.52 0.00 0.00 55.73 56.58 1ucx s ARG 161 Cb -0.24 -0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.16 1ucx s ARG 161 CO 0.28 -0.15 -0.07 0.50 0.02 0.00 0.00 175.30 175.89 1ucx s ARG 162 N 1.22 2.72 -0.32 3.54 3.52 -1.26 -4.05 118.95 124.31 1ucx s ARG 162 Ca -0.08 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1ucx s ARG 162 Cb -0.08 -2.58 0.07 0.00 -1.56 0.00 0.00 34.95 30.80 1ucx s ARG 162 CO -0.10 0.65 0.04 -0.06 -0.81 0.00 0.00 175.30 175.02 1ucx s PHE 163 N -0.85 3.42 0.17 5.12 0.40 0.00 -4.88 117.98 121.37 1ucx s PHE 163 Ca 0.13 -2.25 -0.11 0.00 -0.60 0.00 0.00 56.93 54.10 1ucx s PHE 163 Cb -0.11 -2.47 -0.07 0.00 0.51 0.00 0.00 43.02 40.88 1ucx s PHE 163 CO 0.03 -0.88 0.52 0.71 0.70 0.00 0.00 175.22 176.30 1ucx s TYR 164 N 1.15 3.52 -0.46 0.36 2.02 -1.26 -1.35 117.35 121.32 1ucx s TYR 164 Ca -0.00 0.92 0.23 0.00 -0.37 0.00 0.00 57.07 57.85 1ucx s TYR 164 Cb -0.20 -2.27 0.21 0.00 -0.40 0.00 0.00 41.96 39.29 1ucx s TYR 164 CO -0.04 0.37 1.24 -0.07 -1.57 0.00 0.00 175.55 175.48 1ucx h LEU 165 N 3.10 0.00 -7.73 -1.29 4.07 -1.49 -1.37 115.31 110.59 1ucx h LEU 165 Ca -0.48 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 57.23 1ucx h LEU 165 Cb 1.18 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.71 1ucx h LEU 165 CO 0.68 0.05 -0.50 0.00 -1.08 0.00 0.00 178.44 177.59 1ucx s ALA 166 N -3.25 -0.33 0.00 1.53 0.00 -1.26 -4.47 121.76 113.98 1ucx s ALA 166 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1ucx s ALA 166 Cb 0.11 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1ucx s ALA 166 CO 0.74 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1ucx n GLY 167 N 1.61 0.95 3.07 0.00 0.00 -1.26 -4.71 105.19 104.85 1ucx n GLY 167 Ca -0.22 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 1ucx n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ucx s ASN 168 N -0.81 5.19 -0.11 1.61 0.02 -1.26 -0.71 114.94 118.87 1ucx s ASN 168 Ca 0.00 -3.05 -0.25 0.00 -1.02 0.00 0.00 52.86 48.54 1ucx s ASN 168 Cb 0.00 -1.82 0.06 0.00 0.02 0.00 0.00 41.25 39.50 1ucx s ASN 168 CO 0.00 -0.31 0.60 0.00 0.02 0.00 0.00 177.10 177.41 1ucx s GLN 169 N -0.35 0.88 0.04 -0.60 0.00 -1.26 -4.05 119.66 114.32 1ucx s GLN 169 Ca 0.19 0.41 -0.32 0.00 -0.00 0.00 0.00 55.36 55.64 1ucx s GLN 169 Cb -0.19 0.42 -0.10 0.00 0.00 0.00 0.00 33.01 33.14 1ucx s GLN 169 CO -0.05 -0.22 1.89 -0.85 0.00 0.00 0.00 175.29 176.07 1ucx n GLU 170 N 1.63 2.66 -1.98 9.60 0.28 -1.26 -3.81 120.64 127.75 1ucx n GLU 170 Ca -0.18 0.97 -0.40 0.00 -0.16 0.00 0.00 57.16 57.40 1ucx n GLU 170 Cb 0.56 -2.87 -0.00 0.00 1.43 0.00 0.00 31.44 30.56 1ucx n GLU 170 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1ucx s GLN 171 N 3.64 3.95 0.36 3.44 0.74 -1.26 -4.93 119.66 125.60 1ucx s GLN 171 Ca 0.87 2.25 0.18 0.00 0.05 0.00 0.00 55.36 58.71 1ucx s GLN 171 Cb -0.52 -2.78 1.19 0.00 1.10 0.00 0.00 33.01 32.00 1ucx s GLN 171 CO 0.42 -0.54 1.64 0.93 -0.55 0.00 0.00 175.29 177.19 1ucx h GLU 172 N 2.69 0.21 -0.73 1.67 3.07 -1.92 -2.05 114.58 117.52 1ucx h GLU 172 Ca -0.50 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1ucx h GLU 172 Cb 1.25 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ucx h GLU 172 CO 0.63 0.14 0.00 1.19 -1.40 0.00 0.00 179.01 179.56 1ucx n PHE 173 N -5.07 0.97 0.20 4.33 3.72 -1.26 -4.39 117.46 115.96 1ucx n PHE 173 Ca 0.34 -0.49 0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1ucx n PHE 173 Cb 1.11 -0.00 0.43 0.00 -0.94 0.00 0.00 39.48 40.07 1ucx n PHE 173 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ucx h LEU 174 N 4.33 0.00 -0.23 4.37 7.12 -1.69 -2.27 115.31 126.94 1ucx h LEU 174 Ca 0.00 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.04 1ucx h LEU 174 Cb 0.99 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.10 1ucx h LEU 174 CO 0.00 0.28 0.06 0.50 -0.13 0.00 0.00 178.44 179.15 1ucx h LYS 175 N 0.00 0.15 0.00 1.25 3.11 -1.80 -2.49 116.57 116.79 1ucx h LYS 175 Ca -0.00 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1ucx h LYS 175 Cb 0.50 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1ucx h LYS 175 CO 0.04 0.10 -0.25 1.88 -2.81 0.00 0.00 179.45 178.41 1ucx h TYR 176 N 0.16 0.00 -0.27 1.91 0.05 -1.73 -2.81 116.97 114.28 1ucx h TYR 176 Ca 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1ucx h TYR 176 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1ucx h TYR 176 CO -0.14 0.25 0.05 0.37 -1.05 0.00 0.00 178.16 177.64 1ucx h GLN 177 N 0.00 0.44 0.00 4.88 4.15 -1.29 -3.51 115.11 119.78 1ucx h GLN 177 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1ucx h GLN 177 Cb 0.65 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1ucx h GLN 177 CO 0.03 0.55 0.00 0.00 -1.93 0.00 0.00 178.83 177.48 1ucx n GLN 178 N -4.68 0.00 0.00 1.69 10.64 -1.06 -5.14 117.38 118.84 1ucx n GLN 178 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1ucx n GLN 178 Cb 0.20 -0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.55 1ucx n GLN 178 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ucx n GLY 198 N 2.85 0.85 0.00 2.61 0.00 -1.25 -5.08 105.19 105.16 1ucx n GLY 198 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ucx n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucx n GLY 199 N 0.00 2.40 3.88 -0.02 0.00 -1.25 -4.80 105.19 105.40 1ucx n GLY 199 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1ucx n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ucx s SER 200 N 0.00 3.91 0.00 1.61 1.04 0.12 -4.57 113.70 115.80 1ucx s SER 200 Ca 0.00 0.68 0.18 0.00 0.48 0.00 0.00 55.95 57.29 1ucx s SER 200 Cb 0.00 -1.06 0.83 0.00 0.10 0.00 0.00 66.02 65.89 1ucx s SER 200 CO 0.00 -2.27 1.57 2.30 0.98 0.00 0.00 173.24 175.81 1ucx n ILE 201 N -3.54 0.64 -0.05 -1.02 -5.35 -0.52 -2.57 119.36 106.96 1ucx n ILE 201 Ca 0.10 0.16 -0.05 0.00 -0.27 0.00 0.00 62.75 62.69 1ucx n ILE 201 Cb 0.60 -0.85 -0.14 0.00 -1.74 0.00 0.00 39.64 37.51 1ucx n ILE 201 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1ucx n LEU 202 N -1.41 0.33 0.24 7.28 7.94 -1.26 -4.26 117.00 125.85 1ucx n LEU 202 Ca 0.06 0.15 0.14 0.00 -1.11 0.00 0.00 56.01 55.25 1ucx n LEU 202 Cb 0.18 0.29 0.36 0.00 0.53 0.00 0.00 43.42 44.79 1ucx n LEU 202 CO 0.16 0.34 0.88 0.77 -1.11 0.00 0.00 177.39 178.43 1ucx h SER 203 N 0.00 0.00 0.00 1.96 4.64 -1.71 -3.03 113.55 115.41 1ucx h SER 203 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1ucx h SER 203 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1ucx h SER 203 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1ucx n GLY 204 N 0.71 -0.65 3.97 -0.77 0.00 -1.24 -4.75 105.19 102.46 1ucx n GLY 204 Ca 0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1ucx n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ucx s PHE 205 N -2.00 3.36 0.29 1.61 0.08 -1.14 -5.10 117.98 115.08 1ucx s PHE 205 Ca 0.22 -0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.91 1ucx s PHE 205 Cb 0.10 -1.67 -0.09 0.00 -0.57 0.00 0.00 43.02 40.79 1ucx s PHE 205 CO 0.17 0.33 1.08 0.99 -0.10 0.00 0.00 175.22 177.70 1ucx s THR 206 N -2.03 3.54 0.36 0.64 2.01 -1.26 -4.94 115.64 113.97 1ucx s THR 206 Ca 0.37 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.90 1ucx s THR 206 Cb -0.09 -3.94 0.25 0.00 0.01 0.00 0.00 72.50 68.73 1ucx s THR 206 CO 0.29 0.32 2.01 0.25 -0.69 0.00 0.00 174.62 176.80 1ucx h LEU 207 N 3.66 0.63 -0.68 4.42 5.85 -1.96 0.28 115.31 127.52 1ucx h LEU 207 Ca -0.47 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.11 1ucx h LEU 207 Cb 1.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1ucx h LEU 207 CO 0.66 0.48 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.70 1ucx h GLU 208 N 0.73 0.79 -0.34 1.25 3.07 -1.99 -0.30 114.58 117.81 1ucx h GLU 208 Ca 0.19 -0.32 -0.17 0.00 -0.50 0.00 0.00 59.36 58.56 1ucx h GLU 208 Cb -0.03 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1ucx h GLU 208 CO -0.04 0.94 -0.47 0.74 -1.40 0.00 0.00 179.01 178.79 1ucx h PHE 209 N 0.69 1.10 0.00 4.33 -1.00 -1.50 -2.56 116.94 118.00 1ucx h PHE 209 Ca 0.10 -0.36 -0.15 0.00 2.81 0.00 0.00 57.97 60.37 1ucx h PHE 209 Cb 0.74 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1ucx h PHE 209 CO 0.04 1.19 -0.72 -0.07 -1.61 0.00 0.00 178.31 177.14 1ucx h LEU 210 N 0.71 0.00 -0.23 1.54 -0.00 -0.89 -1.59 115.31 114.86 1ucx h LEU 210 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.87 1ucx h LEU 210 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1ucx h LEU 210 CO 0.11 0.72 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.88 1ucx h GLU 211 N 0.00 0.44 -0.39 1.13 5.08 -1.05 -2.71 114.58 117.08 1ucx h GLU 211 Ca -0.01 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1ucx h GLU 211 Cb 1.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1ucx h GLU 211 CO 0.09 0.67 -0.18 1.25 -1.00 0.00 0.00 179.01 179.84 1ucx h HIS 212 N 0.18 0.94 -0.43 4.33 2.76 -1.43 0.21 115.15 121.70 1ucx h HIS 212 Ca 0.06 -0.23 -0.13 0.00 -2.20 0.00 0.00 60.37 57.87 1ucx h HIS 212 Cb 0.50 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1ucx h HIS 212 CO 0.05 0.98 -0.23 0.00 -1.30 0.00 0.00 177.93 177.43 1ucx h ALA 213 N 0.81 0.78 0.00 5.26 0.00 -1.30 -3.16 119.26 121.64 1ucx h ALA 213 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ucx h ALA 213 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ucx h ALA 213 CO 0.06 0.66 -1.07 1.19 0.00 0.00 0.00 179.25 180.08 1ucx n PHE 214 N -4.10 0.56 -3.26 0.00 3.72 -1.02 -4.98 117.46 108.37 1ucx n PHE 214 Ca -0.00 0.16 -0.17 0.00 -0.05 0.00 0.00 57.45 57.40 1ucx n PHE 214 Cb 0.45 -0.69 0.06 0.00 -0.94 0.00 0.00 39.48 38.37 1ucx n PHE 214 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ucx n SER 215 N -2.31 -4.31 -4.49 4.37 2.88 0.04 -5.04 113.62 104.76 1ucx n SER 215 Ca 0.01 -0.43 -0.23 0.00 -1.33 0.00 0.00 58.87 56.88 1ucx n SER 215 Cb 0.50 -3.98 -0.11 0.00 -0.75 0.00 0.00 64.21 59.87 1ucx n SER 215 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1ucx s VAL 216 N -3.25 1.68 0.68 2.46 -7.23 -1.06 -5.05 120.40 108.63 1ucx s VAL 216 Ca 0.31 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1ucx s VAL 216 Cb -0.14 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1ucx s VAL 216 CO 0.56 -0.16 1.07 1.51 -0.31 0.00 0.00 175.10 177.77 1ucx s ASP 217 N -3.53 5.62 0.39 4.85 -4.77 -1.26 -4.67 116.67 113.31 1ucx s ASP 217 Ca 0.33 1.27 0.17 0.00 -3.30 0.00 0.00 52.55 51.02 1ucx s ASP 217 Cb 0.06 -2.15 1.07 0.00 -1.09 0.00 0.00 42.92 40.81 1ucx s ASP 217 CO 0.15 -1.24 1.76 0.50 0.70 0.00 0.00 175.17 177.04 1ucx h LYS 218 N -0.58 0.41 0.15 2.11 3.64 -1.96 -1.18 116.57 119.16 1ucx h LYS 218 Ca -0.45 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1ucx h LYS 218 Cb 1.23 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1ucx h LYS 218 CO 0.62 0.27 -0.07 0.37 -2.27 0.00 0.00 179.45 178.37 1ucx h GLN 219 N 0.42 -0.20 -0.21 1.90 4.15 -2.00 -1.36 115.11 117.82 1ucx h GLN 219 Ca 0.61 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.92 1ucx h GLN 219 Cb 1.48 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.20 1ucx h GLN 219 CO -0.33 0.12 -0.39 0.97 -1.93 0.00 0.00 178.83 177.28 1ucx h ILE 220 N -0.53 1.30 -0.16 2.39 2.10 -1.81 -2.16 117.51 118.65 1ucx h ILE 220 Ca -0.02 -1.52 0.05 0.00 1.08 0.00 0.00 64.86 64.44 1ucx h ILE 220 Cb 0.41 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 1ucx h ILE 220 CO 0.03 0.47 0.15 0.00 -1.08 0.00 0.00 178.15 177.73 1ucx h ALA 221 N 1.20 1.86 -0.44 0.18 0.00 -1.10 -1.12 119.26 119.84 1ucx h ALA 221 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1ucx h ALA 221 Cb 0.85 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ucx h ALA 221 CO 0.07 -0.23 -0.22 0.87 0.00 0.00 0.00 179.25 179.73 1ucx h LYS 222 N 0.00 0.89 0.00 0.00 6.56 -0.56 -3.07 116.57 120.39 1ucx h LYS 222 Ca 0.07 -0.37 -0.10 0.00 -1.06 0.00 0.00 60.65 59.19 1ucx h LYS 222 Cb 0.37 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 1ucx h LYS 222 CO -0.00 1.02 -0.46 -0.91 -2.06 0.00 0.00 179.45 177.04 1ucx h ASN 223 N 0.77 0.00 -0.81 0.86 4.21 -1.20 -2.52 115.58 116.89 1ucx h ASN 223 Ca 0.10 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 1ucx h ASN 223 Cb 0.77 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.94 1ucx h ASN 223 CO 0.06 0.46 0.33 -0.07 -1.29 0.00 0.00 177.43 176.93 1ucx h LEU 224 N 0.00 1.11 -5.69 1.61 4.07 -1.49 -3.33 115.31 111.60 1ucx h LEU 224 Ca -0.00 -0.17 -0.71 0.00 0.08 0.00 0.00 57.88 57.08 1ucx h LEU 224 Cb 0.83 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.24 1ucx h LEU 224 CO 0.06 0.97 3.19 1.67 -1.08 0.00 0.00 178.44 183.25 1ucx n GLN 225 N -4.28 3.39 0.00 1.13 7.27 -0.95 -4.44 117.38 119.50 1ucx n GLN 225 Ca 0.07 -2.65 0.00 0.00 0.07 0.00 0.00 57.00 54.49 1ucx n GLN 225 Cb 0.18 -3.02 0.00 0.00 2.41 0.00 0.00 30.24 29.81 1ucx n GLN 225 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ucx n GLY 226 N 3.56 3.74 0.21 1.69 0.00 -1.25 -4.90 105.19 108.23 1ucx n GLY 226 Ca 0.60 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1ucx n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ucx n GLU 227 N 11.83 0.00 -0.95 1.61 -0.58 -1.26 -4.69 120.64 126.60 1ucx n GLU 227 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ucx n GLU 227 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ucx n GLU 227 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ucx n LYS 233 N 0.02 -2.72 0.00 3.49 2.85 -1.26 -4.99 118.16 115.56 1ucx n LYS 233 Ca 0.00 2.03 0.00 0.00 -1.05 0.00 0.00 58.31 59.29 1ucx n LYS 233 Cb 0.00 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 1ucx n LYS 233 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ucx n GLY 234 N -0.95 1.28 0.09 2.58 0.00 -1.26 -4.87 105.19 102.06 1ucx n GLY 234 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ucx n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucx h ALA 235 N -0.12 0.52 -2.98 4.61 0.00 -1.93 -3.43 119.26 115.92 1ucx h ALA 235 Ca 0.00 -0.88 -0.66 0.00 0.00 0.00 0.00 54.91 53.38 1ucx h ALA 235 Cb 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.53 1ucx h ALA 235 CO 0.00 1.12 -0.68 0.42 0.00 0.00 0.00 179.25 180.11 1ucx s ILE 236 N -2.77 3.73 0.14 0.00 1.01 -1.26 -1.55 121.20 120.50 1ucx s ILE 236 Ca 0.01 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.34 1ucx s ILE 236 Cb 0.09 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1ucx s ILE 236 CO 0.80 0.38 -0.04 -0.69 0.00 0.00 0.00 174.94 175.39 1ucx s VAL 237 N 1.53 3.59 -0.16 2.92 1.01 -0.89 -2.73 120.40 125.67 1ucx s VAL 237 Ca 0.06 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.64 1ucx s VAL 237 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1ucx s VAL 237 CO -0.01 -0.01 0.01 0.42 0.00 0.00 0.00 175.10 175.51 1ucx s THR 238 N -1.52 4.29 -0.32 3.92 -4.23 -1.26 -0.40 115.64 116.12 1ucx s THR 238 Ca 0.25 -0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.35 1ucx s THR 238 Cb -0.10 -2.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1ucx s THR 238 CO 0.17 0.50 0.60 -0.69 -0.54 0.00 0.00 174.62 174.66 1ucx s VAL 239 N 0.20 4.95 0.08 2.29 1.01 -0.75 -4.96 120.40 123.21 1ucx s VAL 239 Ca 0.01 0.74 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 1ucx s VAL 239 Cb -0.13 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 1ucx s VAL 239 CO 0.02 -0.16 1.49 0.50 0.00 0.00 0.00 175.10 176.95 1ucx h LYS 240 N 8.26 -0.77 0.00 2.72 3.64 -1.97 -2.80 116.57 125.64 1ucx h LYS 240 Ca -0.27 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ucx h LYS 240 Cb 1.12 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1ucx h LYS 240 CO 0.80 -0.51 0.00 0.41 -2.27 0.00 0.00 179.45 177.87 1ucx n GLY 241 N -1.47 -1.56 0.44 5.01 0.00 -1.26 -5.03 105.19 101.32 1ucx n GLY 241 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ucx n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucx n GLY 242 N 1.32 -3.61 3.68 -0.02 0.00 -1.06 -4.85 105.19 100.65 1ucx n GLY 242 Ca 0.06 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1ucx n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ucx s LEU 243 N -1.69 4.39 0.00 0.99 1.02 -1.26 -4.85 118.68 117.27 1ucx s LEU 243 Ca 0.00 2.60 0.05 0.00 0.02 0.00 0.00 54.13 56.80 1ucx s LEU 243 Cb 0.00 -3.56 0.17 0.00 0.02 0.00 0.00 46.19 42.83 1ucx s LEU 243 CO 0.00 -0.97 1.14 -1.54 0.02 0.00 0.00 176.35 175.00 1ucx n SER 244 N 6.13 0.75 -4.61 2.29 3.41 -1.26 -4.84 113.62 115.49 1ucx n SER 244 Ca 0.17 -1.97 -0.43 0.00 -0.26 0.00 0.00 58.87 56.38 1ucx n SER 244 Cb 0.40 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1ucx n SER 244 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ucx s VAL 245 N -1.82 3.72 0.00 -3.33 1.01 -1.26 -4.86 120.40 113.87 1ucx s VAL 245 Ca 0.11 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1ucx s VAL 245 Cb 0.05 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ucx s VAL 245 CO 0.07 -0.50 0.14 0.00 0.00 0.00 0.00 175.10 174.82 1ucx n ILE 246 N 6.98 0.04 -3.02 2.22 0.13 -1.26 -4.95 119.36 119.50 1ucx n ILE 246 Ca 0.19 -0.01 -0.41 0.00 -1.10 0.00 0.00 62.75 61.43 1ucx n ILE 246 Cb 0.47 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.22 1ucx n ILE 246 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1ucx s LYS 247 N -0.02 4.26 0.00 9.51 2.36 -1.26 -5.06 119.74 129.53 1ucx s LYS 247 Ca 0.12 0.80 0.00 0.00 -2.55 0.00 0.00 55.97 54.35 1ucx s LYS 247 Cb -0.17 -3.57 0.00 0.00 -1.05 0.00 0.00 37.83 33.04 1ucx s LYS 247 CO 0.08 -0.26 0.00 -2.30 1.55 0.00 0.00 175.35 174.42 1ucx n PRO 248 N 5.04 2.34 -0.25 4.03 -0.02 -1.26 -5.15 135.00 139.73 1ucx n PRO 248 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1ucx n PRO 248 Cb 0.49 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.22 1ucx n PRO 248 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1ucx n ILE 297 N 0.00 -0.31 0.37 4.25 0.13 -1.26 -5.08 119.36 117.46 1ucx n ILE 297 Ca 0.00 1.61 0.13 0.00 -1.10 0.00 0.00 62.75 63.39 1ucx n ILE 297 Cb 0.00 -2.38 0.54 0.00 -0.84 0.00 0.00 39.64 36.96 1ucx n ILE 297 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ucx n THR 299 N -2.47 1.22 -1.68 0.00 -2.24 -1.26 -4.99 114.28 102.86 1ucx n THR 299 Ca 0.02 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 1ucx n THR 299 Cb 0.26 -0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 1ucx n THR 299 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1ucx n MET 300 N -2.84 2.01 -3.24 -0.78 0.00 -0.97 -4.99 117.12 106.31 1ucx n MET 300 Ca -0.16 0.71 -0.39 0.00 0.00 0.00 0.00 57.70 57.86 1ucx n MET 300 Cb 0.93 -2.26 -0.06 0.00 0.00 0.00 0.00 33.22 31.83 1ucx n MET 300 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1ucx s ARG 301 N -1.80 4.32 -0.36 2.12 3.52 -1.26 -4.96 118.95 120.53 1ucx s ARG 301 Ca 0.56 0.53 0.13 0.00 -0.13 0.00 0.00 55.73 56.82 1ucx s ARG 301 Cb -0.59 -3.47 0.45 0.00 -1.56 0.00 0.00 34.95 29.78 1ucx s ARG 301 CO 0.62 0.06 1.03 1.47 -0.81 0.00 0.00 175.30 177.67 1ucx n LEU 302 N 3.99 2.90 -3.17 -0.88 -0.00 -1.26 -4.36 117.00 114.23 1ucx n LEU 302 Ca -0.05 -4.32 0.03 0.00 -0.00 0.00 0.00 56.01 51.67 1ucx n LEU 302 Cb 0.51 0.05 -0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1ucx n LEU 302 CO 0.44 1.82 0.11 -0.60 -0.00 0.00 0.00 177.39 179.17 1ucx s ARG 303 N -3.35 0.55 -0.06 1.47 3.52 -1.25 -2.22 118.95 117.61 1ucx s ARG 303 Ca 0.36 0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 56.70 1ucx s ARG 303 Cb 0.43 0.34 0.03 0.00 -1.56 0.00 0.00 34.95 34.19 1ucx s ARG 303 CO -0.06 -0.83 0.02 -1.58 -0.81 0.00 0.00 175.30 172.05 1ucx s HIS 304 N 2.82 0.47 -0.28 5.12 2.46 -0.49 -4.90 115.29 120.49 1ucx s HIS 304 Ca 0.15 -0.03 -0.29 0.00 0.47 0.00 0.00 55.06 55.36 1ucx s HIS 304 Cb -0.13 -0.69 0.01 0.00 -0.13 0.00 0.00 32.58 31.64 1ucx s HIS 304 CO -0.23 -0.28 1.11 1.21 -2.47 0.00 0.00 174.74 174.08 1ucx s ASN 305 N 1.99 6.94 -0.16 9.88 3.84 -1.26 -0.91 114.94 135.26 1ucx s ASN 305 Ca 0.04 1.20 0.18 0.00 0.21 0.00 0.00 52.86 54.49 1ucx s ASN 305 Cb -0.12 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.48 1ucx s ASN 305 CO -0.04 -0.84 1.33 2.30 -2.79 0.00 0.00 177.10 177.05 1ucx n ILE 306 N 5.74 2.15 0.00 -5.21 -5.35 0.41 -4.74 119.36 112.35 1ucx n ILE 306 Ca 0.12 -2.02 0.00 0.00 -0.27 0.00 0.00 62.75 60.58 1ucx n ILE 306 Cb 0.47 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1ucx n ILE 306 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ucx n GLY 307 N -0.84 0.03 2.62 3.28 0.00 -0.97 -4.55 105.19 104.75 1ucx n GLY 307 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ucx n GLY 307 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ucx n GLN 308 N -1.68 4.16 -0.21 1.61 3.00 -1.24 -4.86 117.38 118.14 1ucx n GLN 308 Ca 0.00 -3.40 0.00 0.00 -0.01 0.00 0.00 57.00 53.59 1ucx n GLN 308 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 30.24 27.48 1ucx n GLN 308 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1ucx n THR 309 N 2.48 0.00 -1.95 5.09 -1.04 -1.26 -5.04 114.28 112.56 1ucx n THR 309 Ca 0.55 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1ucx n THR 309 Cb 0.29 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1ucx n THR 309 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ucx n SER 310 N -0.58 0.00 -3.15 8.00 3.41 -1.26 -5.00 113.62 115.04 1ucx n SER 310 Ca 0.00 -1.06 -0.25 0.00 -0.26 0.00 0.00 58.87 57.30 1ucx n SER 310 Cb 0.00 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1ucx n SER 310 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ucx n SER 311 N 0.00 3.17 -4.77 4.04 7.64 -1.26 -5.11 113.62 117.34 1ucx n SER 311 Ca 0.00 -3.39 -0.37 0.00 1.01 0.00 0.00 58.87 56.11 1ucx n SER 311 Cb 0.51 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1ucx n SER 311 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ucx s PRO 312 N -2.76 3.64 0.06 1.43 0.02 -1.26 -4.94 135.00 131.19 1ucx s PRO 312 Ca 0.43 1.89 -0.29 0.00 0.02 0.00 0.00 61.00 63.06 1ucx s PRO 312 Cb 0.24 -2.40 -0.17 0.00 0.02 0.00 0.00 34.50 32.19 1ucx s PRO 312 CO -0.09 -0.68 1.58 -0.44 -0.33 0.00 0.00 177.00 177.04 1ucx h ASP 313 N 1.96 -0.47 -4.03 2.53 5.19 -0.98 -3.42 116.42 117.21 1ucx h ASP 313 Ca -0.50 -0.02 -0.69 0.00 -0.62 0.00 0.00 57.03 55.20 1ucx h ASP 313 Cb 1.26 0.12 -0.23 0.00 0.18 0.00 0.00 39.33 40.66 1ucx h ASP 313 CO 0.60 -0.28 -0.82 -0.63 -3.12 0.00 0.00 179.24 174.98 1ucx s ILE 314 N -5.81 2.63 -0.17 0.35 1.01 -0.83 -5.00 121.20 113.36 1ucx s ILE 314 Ca -0.16 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.15 1ucx s ILE 314 Cb 0.04 -2.10 0.07 0.00 0.01 0.00 0.00 42.46 40.49 1ucx s ILE 314 CO 0.62 0.32 0.38 -0.47 0.00 0.00 0.00 174.94 175.79 1ucx s TYR 315 N -0.91 -0.65 -0.21 3.97 5.04 -1.26 -1.06 117.35 122.26 1ucx s TYR 315 Ca 0.14 1.32 -0.02 0.00 -2.44 0.00 0.00 57.07 56.07 1ucx s TYR 315 Cb -0.10 0.22 0.06 0.00 0.35 0.00 0.00 41.96 42.49 1ucx s TYR 315 CO 0.05 -0.40 0.03 1.21 -1.34 0.00 0.00 175.55 175.09 1ucx s ASN 316 N 2.12 3.14 0.37 4.32 3.84 -0.03 -4.98 114.94 123.73 1ucx s ASN 316 Ca -0.04 -0.94 0.26 0.00 0.21 0.00 0.00 52.86 52.35 1ucx s ASN 316 Cb -0.11 -0.71 1.35 0.00 -0.55 0.00 0.00 41.25 41.24 1ucx s ASN 316 CO -0.12 -0.30 1.78 1.55 -2.79 0.00 0.00 177.10 177.22 1ucx h PRO 317 N 8.19 0.00 0.00 0.43 0.13 -2.01 0.31 132.00 139.04 1ucx h PRO 317 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ucx h PRO 317 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ucx h PRO 317 CO 0.36 0.00 -1.44 0.94 -0.23 0.00 0.00 178.00 177.63 1ucx n GLN 318 N -2.40 0.53 0.00 0.86 7.27 -1.26 -4.75 117.38 117.64 1ucx n GLN 318 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 57.00 56.96 1ucx n GLN 318 Cb 0.06 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.25 1ucx n GLN 318 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ucx n ALA 319 N -1.84 1.78 0.00 1.69 0.00 0.24 -4.40 120.51 117.97 1ucx n ALA 319 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ucx n ALA 319 Cb 0.42 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1ucx n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ucx n GLY 320 N 2.43 -0.24 3.60 0.00 0.00 0.83 -1.01 105.19 110.80 1ucx n GLY 320 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1ucx n GLY 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ucx s SER 321 N -4.00 -0.20 -0.03 1.61 1.04 -0.55 -0.85 113.70 110.72 1ucx s SER 321 Ca 0.00 0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.53 1ucx s SER 321 Cb 0.00 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1ucx s SER 321 CO 0.00 -0.23 0.13 -0.69 0.98 0.00 0.00 173.24 173.44 1ucx s VAL 322 N -1.54 0.04 0.02 5.02 1.01 -0.23 -0.71 120.40 124.01 1ucx s VAL 322 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1ucx s VAL 322 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1ucx s VAL 322 CO -0.04 -0.19 -0.04 -0.89 0.00 0.00 0.00 175.10 173.94 1ucx s THR 323 N -0.65 0.21 -0.01 3.92 2.01 -0.01 -0.23 115.64 120.89 1ucx s THR 323 Ca -0.07 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1ucx s THR 323 Cb -0.04 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1ucx s THR 323 CO 0.01 -0.25 -0.03 0.42 -0.69 0.00 0.00 174.62 174.07 1ucx s THR 324 N -0.86 0.28 -0.32 -0.82 -4.23 -1.26 -1.00 115.64 107.43 1ucx s THR 324 Ca -0.08 -0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1ucx s THR 324 Cb -0.06 -0.27 0.02 0.00 1.34 0.00 0.00 72.50 73.54 1ucx s THR 324 CO -0.00 0.10 0.10 0.00 -0.54 0.00 0.00 174.62 174.27 1ucx s ALA 325 N 0.13 3.07 0.48 3.99 0.00 -0.61 -5.02 121.76 123.81 1ucx s ALA 325 Ca -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.35 1ucx s ALA 325 Cb -0.04 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.85 1ucx s ALA 325 CO -0.00 -1.15 0.07 0.25 0.00 0.00 0.00 175.76 174.93 1ucx n THR 326 N 4.85 0.00 0.21 0.00 -2.24 -1.26 -3.15 114.28 112.69 1ucx n THR 326 Ca -0.13 -2.19 0.08 0.00 -2.27 0.00 0.00 64.05 59.53 1ucx n THR 326 Cb 0.46 0.35 0.45 0.00 -2.10 0.00 0.00 70.33 69.49 1ucx n THR 326 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ucx h SER 327 N 1.04 0.00 -0.93 3.42 4.64 -1.38 -1.39 113.55 118.94 1ucx h SER 327 Ca -0.38 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1ucx h SER 327 Cb 1.19 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 1ucx h SER 327 CO 0.62 0.28 0.51 -0.07 -0.87 0.00 0.00 176.83 177.30 1ucx h LEU 328 N 0.00 0.59 -0.55 5.97 -0.00 -1.95 -1.95 115.31 117.42 1ucx h LEU 328 Ca -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1ucx h LEU 328 Cb 0.73 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 1ucx h LEU 328 CO 0.04 0.18 -0.26 -0.90 -0.00 0.00 0.00 178.44 177.49 1ucx n ASP 329 N -4.88 1.00 -3.14 -0.43 5.68 -1.18 -4.73 116.55 108.88 1ucx n ASP 329 Ca 0.22 -1.00 -0.22 0.00 -0.50 0.00 0.00 54.79 53.29 1ucx n ASP 329 Cb 0.57 0.61 -0.05 0.00 -1.14 0.00 0.00 41.12 41.10 1ucx n ASP 329 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1ucx n PHE 330 N -0.51 -0.96 0.33 2.11 7.35 -0.53 -4.98 117.46 120.27 1ucx n PHE 330 Ca 0.03 -3.21 0.22 0.00 -0.76 0.00 0.00 57.45 53.73 1ucx n PHE 330 Cb 0.19 0.05 1.18 0.00 0.35 0.00 0.00 39.48 41.25 1ucx n PHE 330 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1ucx h PRO 331 N 4.23 0.00 0.00 -7.13 0.13 -1.60 -1.09 132.00 126.54 1ucx h PRO 331 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ucx h PRO 331 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ucx h PRO 331 CO 0.42 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 178.24 1ucx h ALA 332 N 2.00 1.04 0.00 -0.56 0.00 -1.86 -1.74 119.26 118.14 1ucx h ALA 332 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ucx h ALA 332 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ucx h ALA 332 CO 0.00 -0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.14 1ucx h LEU 333 N 0.00 0.00 -1.18 0.00 4.07 -1.52 -2.63 115.31 114.04 1ucx h LEU 333 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1ucx h LEU 333 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1ucx h LEU 333 CO 0.00 0.00 -0.22 0.77 -1.08 0.00 0.00 178.44 177.91 1ucx h SER 334 N 0.00 0.00 -0.32 -0.43 4.64 -1.54 -0.47 113.55 115.43 1ucx h SER 334 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1ucx h SER 334 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1ucx h SER 334 CO 0.00 0.22 -0.31 -0.50 -0.87 0.00 0.00 176.83 175.37 1ucx h TRP 335 N 0.00 0.93 0.11 4.77 4.06 -1.64 -3.31 115.95 120.87 1ucx h TRP 335 Ca -0.00 -0.28 -0.29 0.00 2.06 0.00 0.00 58.89 60.38 1ucx h TRP 335 Cb 0.71 -0.20 0.03 0.00 -1.00 0.00 0.00 29.16 28.71 1ucx h TRP 335 CO 0.00 1.05 -1.23 -0.07 -3.56 0.00 0.00 178.44 174.63 1ucx h LEU 336 N 0.54 0.83 -1.16 -4.49 3.38 -1.54 -3.48 115.31 109.40 1ucx h LEU 336 Ca 0.05 -0.77 -0.27 0.00 0.09 0.00 0.00 57.88 56.98 1ucx h LEU 336 Cb 0.89 -0.26 0.11 0.00 0.09 0.00 0.00 40.66 41.49 1ucx h LEU 336 CO 0.08 1.57 -0.51 -1.14 0.09 0.00 0.00 178.44 178.53 1ucx n ARG 337 N -3.77 -5.47 -4.11 1.13 3.00 -0.21 -4.81 116.66 102.42 1ucx n ARG 337 Ca -0.13 0.60 -0.13 0.00 -0.00 0.00 0.00 57.85 58.19 1ucx n ARG 337 Cb 0.98 -4.94 -0.11 0.00 0.00 0.00 0.00 32.46 28.39 1ucx n ARG 337 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ucx s LEU 338 N -5.43 2.33 0.31 6.15 1.43 -1.23 -2.82 118.68 119.42 1ucx s LEU 338 Ca 0.29 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1ucx s LEU 338 Cb -0.13 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 1ucx s LEU 338 CO 0.53 -0.24 0.21 -0.55 0.23 0.00 0.00 176.35 176.52 1ucx s SER 339 N -1.99 1.56 -0.19 2.29 0.15 0.22 -4.11 113.70 111.62 1ucx s SER 339 Ca -0.03 -1.64 -0.27 0.00 0.70 0.00 0.00 55.95 54.70 1ucx s SER 339 Cb -0.06 0.48 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 1ucx s SER 339 CO -0.00 -0.97 0.78 0.00 1.20 0.00 0.00 173.24 174.24 1ucx s ALA 340 N -3.56 -1.82 -0.04 5.45 0.00 -1.19 -2.53 121.76 118.07 1ucx s ALA 340 Ca 0.37 1.75 0.02 0.00 0.00 0.00 0.00 51.96 54.11 1ucx s ALA 340 Cb 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1ucx s ALA 340 CO 0.21 -0.33 -0.10 -2.00 0.00 0.00 0.00 175.76 173.54 1ucx s GLU 341 N -0.26 1.26 -0.16 0.00 2.12 -0.07 -1.57 118.70 120.03 1ucx s GLU 341 Ca -0.03 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1ucx s GLU 341 Cb -0.03 -1.12 0.00 0.00 0.26 0.00 0.00 34.13 33.24 1ucx s GLU 341 CO 0.03 0.08 -0.17 0.12 -0.54 0.00 0.00 175.26 174.78 1ucx s PHE 342 N 0.40 2.76 -0.05 5.30 5.36 -0.17 -0.49 117.98 131.10 1ucx s PHE 342 Ca -0.08 -1.14 0.02 0.00 -0.96 0.00 0.00 56.93 54.78 1ucx s PHE 342 Cb -0.12 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1ucx s PHE 342 CO 0.02 -0.53 -0.10 0.20 -1.46 0.00 0.00 175.22 173.35 1ucx s GLY 343 N 0.87 0.66 -0.26 13.12 0.00 -0.89 -0.83 107.32 119.98 1ucx s GLY 343 Ca -0.05 -0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.24 1ucx s GLY 343 CO -0.01 0.09 0.14 -0.45 0.00 0.00 0.00 173.10 172.86 1ucx s SER 344 N 0.53 5.65 -0.17 1.64 0.15 0.11 -2.36 113.70 119.25 1ucx s SER 344 Ca -0.10 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1ucx s SER 344 Cb -0.13 -2.03 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1ucx s SER 344 CO 0.02 -0.03 -0.16 -0.76 1.20 0.00 0.00 173.24 173.51 1ucx s LEU 345 N 1.62 2.04 0.80 3.45 1.43 -0.45 -1.49 118.68 126.08 1ucx s LEU 345 Ca 0.07 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 1ucx s LEU 345 Cb -0.15 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 44.81 1ucx s LEU 345 CO 0.07 -0.06 1.09 0.54 0.23 0.00 0.00 176.35 178.23 1ucx n ARG 346 N 4.68 0.20 -1.74 1.70 5.12 -0.18 -1.96 116.66 124.49 1ucx n ARG 346 Ca -0.18 0.14 -0.42 0.00 -1.93 0.00 0.00 57.85 55.46 1ucx n ARG 346 Cb 0.49 -2.35 -0.03 0.00 -1.16 0.00 0.00 32.46 29.41 1ucx n ARG 346 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ucx s LYS 347 N -3.92 4.14 0.00 5.56 2.20 -1.00 -1.34 119.74 125.37 1ucx s LYS 347 Ca 0.72 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.91 1ucx s LYS 347 Cb -0.30 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1ucx s LYS 347 CO 0.52 -0.79 0.00 0.09 -0.36 0.00 0.00 175.35 174.81 1ucx n ASN 348 N 4.93 -3.43 -3.05 1.43 4.13 -1.07 -4.83 115.26 113.37 1ucx n ASN 348 Ca 0.17 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.27 1ucx n ASN 348 Cb 0.37 -2.29 0.13 0.00 -1.54 0.00 0.00 39.78 36.44 1ucx n ASN 348 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ucx n ALA 349 N 1.00 -1.59 -3.38 5.41 0.00 -0.45 -4.01 120.51 117.48 1ucx n ALA 349 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.43 1ucx n ALA 349 Cb 0.23 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1ucx n ALA 349 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ucx s MET 350 N -4.35 0.75 -0.20 0.00 1.75 -0.24 -2.43 119.30 114.58 1ucx s MET 350 Ca 0.38 0.29 -0.07 0.00 -1.25 0.00 0.00 55.69 55.03 1ucx s MET 350 Cb -0.03 0.35 -0.04 0.00 2.84 0.00 0.00 34.83 37.95 1ucx s MET 350 CO 0.28 -0.18 0.06 -0.59 -0.65 0.00 0.00 175.02 173.95 1ucx s PHE 351 N -0.66 3.20 0.91 4.11 -0.12 -0.14 -1.21 117.98 124.07 1ucx s PHE 351 Ca -0.08 -0.05 -0.14 0.00 -0.05 0.00 0.00 56.93 56.61 1ucx s PHE 351 Cb -0.03 -2.12 -0.03 0.00 -0.63 0.00 0.00 43.02 40.21 1ucx s PHE 351 CO 0.04 0.02 0.13 1.33 -0.05 0.00 0.00 175.22 176.70 1ucx n VAL 352 N 3.90 0.32 -1.64 -2.49 0.24 -0.92 -2.40 118.33 115.35 1ucx n VAL 352 Ca -0.16 -0.31 -0.48 0.00 -2.04 0.00 0.00 64.34 61.35 1ucx n VAL 352 Cb 0.52 -0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.37 1ucx n VAL 352 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1ucx n PRO 353 N -0.46 1.78 -3.77 7.34 -0.02 -1.26 -4.55 135.00 134.05 1ucx n PRO 353 Ca 0.05 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 1ucx n PRO 353 Cb 0.53 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1ucx n PRO 353 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ucx s HIS 354 N 0.53 -0.08 0.07 6.00 -3.43 -0.66 -1.56 115.29 116.16 1ucx s HIS 354 Ca 0.78 -0.27 0.03 0.00 -0.80 0.00 0.00 55.06 54.80 1ucx s HIS 354 Cb -0.76 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.75 1ucx s HIS 354 CO 0.43 -0.94 -0.09 1.52 -2.00 0.00 0.00 174.74 173.66 1ucx s TYR 355 N -3.89 0.88 -0.18 0.38 -0.85 -1.09 -1.28 117.35 111.32 1ucx s TYR 355 Ca 0.10 -0.65 -0.18 0.00 -0.52 0.00 0.00 57.07 55.82 1ucx s TYR 355 Cb -0.01 -0.50 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 1ucx s TYR 355 CO -0.01 -0.07 0.51 -0.80 -1.52 0.00 0.00 175.55 173.66 1ucx s ASN 356 N -2.22 6.59 0.00 -0.18 0.01 -1.23 -0.44 114.94 117.47 1ucx s ASN 356 Ca 0.01 0.71 -0.21 0.00 -0.71 0.00 0.00 52.86 52.65 1ucx s ASN 356 Cb -0.04 -2.29 -0.19 0.00 0.41 0.00 0.00 41.25 39.13 1ucx s ASN 356 CO -0.01 -0.15 1.19 -0.07 -1.51 0.00 0.00 177.10 176.55 1ucx h LEU 357 N 7.71 0.37 -3.38 0.60 4.07 -0.92 -3.35 115.31 120.41 1ucx h LEU 357 Ca -0.35 -0.64 -0.17 0.00 0.08 0.00 0.00 57.88 56.80 1ucx h LEU 357 Cb 1.16 -0.11 -0.10 0.00 1.08 0.00 0.00 40.66 42.69 1ucx h LEU 357 CO 0.74 0.95 -0.02 -0.46 -1.08 0.00 0.00 178.44 178.58 1ucx n ASN 358 N -4.46 2.81 -3.79 -0.43 0.23 -1.26 -4.81 115.26 103.56 1ucx n ASN 358 Ca -0.08 -3.62 -0.08 0.00 -0.53 0.00 0.00 54.58 50.27 1ucx n ASN 358 Cb 0.48 -0.63 -0.02 0.00 -2.08 0.00 0.00 39.78 37.53 1ucx n ASN 358 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ucx s ALA 359 N -3.17 -1.29 -0.21 -2.53 0.00 -1.26 -4.76 121.76 108.54 1ucx s ALA 359 Ca 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1ucx s ALA 359 Cb 0.40 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.38 1ucx s ALA 359 CO 0.02 -1.00 -0.11 -0.80 0.00 0.00 0.00 175.76 173.87 1ucx s ASN 360 N -2.89 3.82 -0.05 0.00 0.01 -1.26 -3.90 114.94 110.66 1ucx s ASN 360 Ca 0.09 -0.58 -0.17 0.00 -0.71 0.00 0.00 52.86 51.50 1ucx s ASN 360 Cb -0.05 -1.62 -0.05 0.00 0.41 0.00 0.00 41.25 39.94 1ucx s ASN 360 CO 0.04 -0.03 0.45 -0.44 -1.51 0.00 0.00 177.10 175.61 1ucx s SER 361 N 1.37 6.76 -0.38 -1.22 0.01 -1.07 -0.97 113.70 118.22 1ucx s SER 361 Ca 0.05 0.91 0.04 0.00 1.31 0.00 0.00 55.95 58.25 1ucx s SER 361 Cb -0.14 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 63.92 1ucx s SER 361 CO -0.07 0.16 0.09 -0.63 0.41 0.00 0.00 173.24 173.20 1ucx s ILE 362 N -0.25 2.36 -0.44 1.44 1.09 -0.53 -1.07 121.20 123.80 1ucx s ILE 362 Ca 0.25 -2.54 -0.22 0.00 -1.10 0.00 0.00 60.65 57.04 1ucx s ILE 362 Cb -0.16 -2.72 0.02 0.00 -1.06 0.00 0.00 42.46 38.54 1ucx s ILE 362 CO 0.12 -0.64 0.73 -0.63 -0.10 0.00 0.00 174.94 174.42 1ucx s ILE 363 N 0.66 4.72 -0.21 2.92 1.01 0.16 -1.54 121.20 128.93 1ucx s ILE 363 Ca 0.12 0.35 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 1ucx s ILE 363 Cb -0.20 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1ucx s ILE 363 CO -0.06 -0.65 0.07 -0.47 0.00 0.00 0.00 174.94 173.82 1ucx s TYR 364 N 3.11 3.18 -0.30 3.97 5.04 -0.75 -1.06 117.35 130.54 1ucx s TYR 364 Ca 0.27 -0.09 -0.17 0.00 -2.44 0.00 0.00 57.07 54.65 1ucx s TYR 364 Cb -0.13 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.03 1ucx s TYR 364 CO 0.21 -0.03 0.47 0.00 -1.34 0.00 0.00 175.55 174.86 1ucx s ALA 365 N 0.82 3.53 0.14 3.97 0.00 -0.88 -1.36 121.76 127.97 1ucx s ALA 365 Ca 0.04 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1ucx s ALA 365 Cb -0.14 -2.89 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 1ucx s ALA 365 CO 0.02 -0.94 1.31 -0.07 0.00 0.00 0.00 175.76 176.08 1ucx h LEU 366 N 8.86 0.07 -7.22 0.00 3.38 -1.14 -1.51 115.31 117.75 1ucx h LEU 366 Ca -0.29 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 1ucx h LEU 366 Cb 1.14 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.65 1ucx h LEU 366 CO 0.72 1.00 -0.08 0.21 0.09 0.00 0.00 178.44 180.37 1ucx s ASN 367 N -6.79 -0.51 0.97 -0.43 2.47 -1.05 -4.69 114.94 104.91 1ucx s ASN 367 Ca -0.00 0.84 0.00 0.00 0.42 0.00 0.00 52.86 54.12 1ucx s ASN 367 Cb 0.10 0.86 0.00 0.00 -1.45 0.00 0.00 41.25 40.76 1ucx s ASN 367 CO 0.82 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 174.51 1ucx n GLY 368 N 2.23 2.38 3.36 1.21 0.00 -1.26 -2.10 105.19 111.02 1ucx n GLY 368 Ca -0.16 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1ucx n GLY 368 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ucx s ARG 369 N 0.00 1.07 0.04 1.61 3.52 -1.26 -1.67 118.95 122.25 1ucx s ARG 369 Ca 0.00 -0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.02 1ucx s ARG 369 Cb 0.00 0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 1ucx s ARG 369 CO 0.00 -0.41 0.33 0.00 -0.81 0.00 0.00 175.30 174.41 1ucx s ALA 370 N -3.06 -0.77 -0.34 6.12 0.00 -0.83 -0.65 121.76 122.24 1ucx s ALA 370 Ca -0.02 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 1ucx s ALA 370 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1ucx s ALA 370 CO -0.07 -0.40 0.56 -1.17 0.00 0.00 0.00 175.76 174.68 1ucx s LEU 371 N -1.96 4.26 0.12 0.00 0.20 0.50 -0.59 118.68 121.22 1ucx s LEU 371 Ca -0.06 0.14 0.06 0.00 0.69 0.00 0.00 54.13 54.96 1ucx s LEU 371 Cb -0.01 -2.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1ucx s LEU 371 CO -0.02 -0.49 -0.02 -0.63 -0.29 0.00 0.00 176.35 174.90 1ucx s ILE 372 N 2.50 3.82 -0.03 6.68 1.01 0.32 -1.03 121.20 134.47 1ucx s ILE 372 Ca 0.21 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1ucx s ILE 372 Cb -0.15 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1ucx s ILE 372 CO 0.13 0.04 -0.04 -1.10 0.00 0.00 0.00 174.94 173.98 1ucx s GLN 373 N -2.50 0.55 -0.04 2.79 -0.21 0.07 -2.17 119.66 118.14 1ucx s GLN 373 Ca 0.26 -0.09 -0.00 0.00 0.02 0.00 0.00 55.36 55.54 1ucx s GLN 373 Cb -0.11 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.34 1ucx s GLN 373 CO 0.18 -0.03 0.01 0.54 -2.12 0.00 0.00 175.29 173.87 1ucx s VAL 374 N 0.58 0.15 -0.02 1.09 0.11 -0.74 -1.09 120.40 120.47 1ucx s VAL 374 Ca -0.07 0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.23 1ucx s VAL 374 Cb -0.10 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1ucx s VAL 374 CO -0.00 0.17 -0.25 0.54 -3.33 0.00 0.00 175.10 172.23 1ucx s VAL 375 N 1.45 1.96 0.00 2.04 0.11 -0.71 -1.26 120.40 124.00 1ucx s VAL 375 Ca -0.04 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1ucx s VAL 375 Cb -0.13 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 1ucx s VAL 375 CO -0.03 0.56 0.00 -0.46 -3.33 0.00 0.00 175.10 171.84 1ucx n ASN 376 N 2.47 0.00 0.26 3.54 0.23 -0.38 -2.34 115.26 119.04 1ucx n ASN 376 Ca -0.16 -0.49 0.13 0.00 -0.53 0.00 0.00 54.58 53.53 1ucx n ASN 376 Cb 0.51 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.91 1ucx n ASN 376 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ucx n ASN 378 N -3.51 3.11 0.00 0.00 5.03 -1.26 -4.95 115.26 113.68 1ucx n ASN 378 Ca -0.01 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1ucx n ASN 378 Cb 0.28 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 1ucx n ASN 378 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ucx n GLY 379 N 1.42 0.80 3.77 7.41 0.00 -0.77 -5.03 105.19 112.78 1ucx n GLY 379 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1ucx n GLY 379 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ucx s GLU 380 N -0.28 3.30 -1.09 1.61 2.02 -1.26 -4.72 118.70 118.28 1ucx s GLU 380 Ca 0.00 1.65 -0.07 0.00 0.02 0.00 0.00 54.97 56.56 1ucx s GLU 380 Cb 0.00 -2.00 0.28 0.00 0.10 0.00 0.00 34.13 32.51 1ucx s GLU 380 CO 0.00 -0.90 1.14 -2.13 0.02 0.00 0.00 175.26 173.39 1ucx n ARG 381 N -1.34 3.59 0.16 1.61 0.63 -1.26 -1.25 116.66 118.80 1ucx n ARG 381 Ca 0.12 -4.48 0.09 0.00 -0.92 0.00 0.00 57.85 52.66 1ucx n ARG 381 Cb 0.51 -2.53 0.49 0.00 0.45 0.00 0.00 32.46 31.38 1ucx n ARG 381 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1ucx n VAL 382 N 2.42 0.94 -3.68 5.15 0.24 -0.39 -4.36 118.33 118.65 1ucx n VAL 382 Ca 0.24 0.73 -0.13 0.00 -2.04 0.00 0.00 64.34 63.14 1ucx n VAL 382 Cb 0.38 -1.73 -0.09 0.00 -1.47 0.00 0.00 33.84 30.93 1ucx n VAL 382 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1ucx s PHE 383 N -3.45 -0.63 -0.41 6.34 5.36 -1.09 -1.01 117.98 123.09 1ucx s PHE 383 Ca -0.02 1.51 0.05 0.00 -0.96 0.00 0.00 56.93 57.51 1ucx s PHE 383 Cb 0.05 0.23 0.17 0.00 -0.34 0.00 0.00 43.02 43.13 1ucx s PHE 383 CO 0.16 -0.31 0.46 0.34 -1.46 0.00 0.00 175.22 174.42 1ucx s ASP 384 N 0.39 0.43 0.00 6.13 2.15 -1.26 -1.80 116.67 122.71 1ucx s ASP 384 Ca -0.01 -1.83 0.00 0.00 0.43 0.00 0.00 52.55 51.15 1ucx s ASP 384 Cb -0.04 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.35 1ucx s ASP 384 CO -0.01 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1ucx n GLY 385 N 3.73 2.29 3.44 2.66 0.00 -0.92 -5.03 105.19 111.35 1ucx n GLY 385 Ca 0.16 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1ucx n GLY 385 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ucx s GLU 386 N 1.58 2.19 -0.27 1.61 -1.05 -1.26 -0.52 118.70 120.98 1ucx s GLU 386 Ca 0.00 -0.90 -0.06 0.00 -0.15 0.00 0.00 54.97 53.87 1ucx s GLU 386 Cb 0.00 -2.21 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 1ucx s GLU 386 CO 0.00 0.57 0.04 -1.17 0.95 0.00 0.00 175.26 175.64 1ucx s LEU 387 N -1.10 3.55 0.54 1.83 2.96 0.25 -4.92 118.68 121.80 1ucx s LEU 387 Ca 0.13 -0.63 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1ucx s LEU 387 Cb -0.10 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1ucx s LEU 387 CO 0.03 -0.14 0.52 0.00 -1.32 0.00 0.00 176.35 175.44 1ucx s GLN 388 N 1.48 2.29 0.35 1.98 -2.07 -1.26 -1.96 119.66 120.48 1ucx s GLN 388 Ca 0.03 -1.87 -0.26 0.00 -1.82 0.00 0.00 55.36 51.44 1ucx s GLN 388 Cb -0.16 -2.28 -0.12 0.00 -1.09 0.00 0.00 33.01 29.35 1ucx s GLN 388 CO 0.01 -0.66 1.02 0.39 -1.32 0.00 0.00 175.29 174.72 1ucx n GLU 389 N -1.89 1.40 -1.88 9.60 1.02 -0.67 -2.38 120.64 125.85 1ucx n GLU 389 Ca 0.04 0.50 -0.17 0.00 -0.02 0.00 0.00 57.16 57.50 1ucx n GLU 389 Cb 0.63 -1.96 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1ucx n GLU 389 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ucx n GLY 390 N 1.18 0.77 3.19 0.62 0.00 -0.57 -4.99 105.19 105.40 1ucx n GLY 390 Ca 0.09 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1ucx n GLY 390 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ucx s ARG 391 N -4.09 0.88 0.08 1.61 0.52 -1.00 -4.82 118.95 112.13 1ucx s ARG 391 Ca 0.00 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.24 1ucx s ARG 391 Cb 0.00 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 1ucx s ARG 391 CO 0.00 0.17 -0.22 0.54 0.02 0.00 0.00 175.30 175.81 1ucx s VAL 392 N -1.64 1.83 -0.06 3.52 0.11 -0.70 -2.08 120.40 121.38 1ucx s VAL 392 Ca 0.02 -1.46 0.01 0.00 -2.93 0.00 0.00 61.98 57.62 1ucx s VAL 392 Cb -0.08 -1.62 0.02 0.00 -1.53 0.00 0.00 36.38 33.17 1ucx s VAL 392 CO 0.02 0.08 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.57 1ucx s LEU 393 N -1.66 1.45 -0.17 2.54 2.96 -0.22 -0.55 118.68 123.03 1ucx s LEU 393 Ca 0.08 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.63 1ucx s LEU 393 Cb -0.10 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 1ucx s LEU 393 CO 0.04 -0.02 0.33 -0.63 -1.32 0.00 0.00 176.35 174.75 1ucx s ILE 394 N 0.88 5.27 -0.28 6.68 1.01 -1.26 0.37 121.20 133.86 1ucx s ILE 394 Ca -0.11 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1ucx s ILE 394 Cb -0.15 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.71 1ucx s ILE 394 CO 0.01 0.35 -0.05 -0.69 0.00 0.00 0.00 174.94 174.56 1ucx s VAL 395 N 0.68 2.48 1.23 2.92 1.01 -0.23 -4.98 120.40 123.51 1ucx s VAL 395 Ca 0.18 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 1ucx s VAL 395 Cb -0.14 -2.49 0.26 0.00 0.00 0.00 0.00 36.38 34.01 1ucx s VAL 395 CO 0.05 -0.13 0.59 -2.65 0.00 0.00 0.00 175.10 172.97 1ucx n PRO 396 N 4.48 -3.11 0.00 2.72 -0.02 -1.26 -2.58 135.00 135.23 1ucx n PRO 396 Ca -0.12 -0.91 0.00 0.00 -2.02 0.00 0.00 63.50 60.45 1ucx n PRO 396 Cb 0.42 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1ucx n PRO 396 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ucx n GLN 397 N -3.88 0.00 -0.05 -0.52 7.27 -1.25 -3.46 117.38 115.49 1ucx n GLN 397 Ca 0.06 0.09 0.03 0.00 0.07 0.00 0.00 57.00 57.25 1ucx n GLN 397 Cb 0.53 -0.69 0.10 0.00 2.41 0.00 0.00 30.24 32.59 1ucx n GLN 397 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ucx n ASN 398 N -0.28 0.55 -4.75 1.69 5.03 -1.26 -3.57 115.26 112.67 1ucx n ASN 398 Ca 0.00 -1.94 -0.35 0.00 0.87 0.00 0.00 54.58 53.17 1ucx n ASN 398 Cb 0.00 -0.06 0.05 0.00 -1.02 0.00 0.00 39.78 38.74 1ucx n ASN 398 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ucx s PHE 399 N -1.87 2.40 -0.19 3.10 0.40 -1.22 -4.84 117.98 115.75 1ucx s PHE 399 Ca 0.10 1.55 -0.05 0.00 -0.60 0.00 0.00 56.93 57.93 1ucx s PHE 399 Cb 0.05 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 1ucx s PHE 399 CO 0.07 -2.08 -0.00 0.08 0.70 0.00 0.00 175.22 173.99 1ucx s VAL 400 N -1.93 3.99 0.10 -0.44 1.01 -0.99 -4.39 120.40 117.76 1ucx s VAL 400 Ca 0.73 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.50 1ucx s VAL 400 Cb -0.26 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1ucx s VAL 400 CO 0.38 0.44 -0.21 0.68 0.00 0.00 0.00 175.10 176.38 1ucx s VAL 401 N 0.87 2.61 -0.04 2.92 -7.23 -0.40 -1.74 120.40 117.39 1ucx s VAL 401 Ca 0.01 -1.50 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1ucx s VAL 401 Cb -0.14 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.67 1ucx s VAL 401 CO 0.02 0.17 0.10 0.00 -0.31 0.00 0.00 175.10 175.08 1ucx s ALA 402 N -1.05 -0.20 -0.01 1.32 0.00 -0.25 -1.66 121.76 119.90 1ucx s ALA 402 Ca 0.16 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1ucx s ALA 402 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1ucx s ALA 402 CO 0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 175.76 175.57 1ucx s ALA 403 N 0.59 1.39 -0.13 0.00 0.00 -1.01 -0.75 121.76 121.85 1ucx s ALA 403 Ca -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1ucx s ALA 403 Cb -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1ucx s ALA 403 CO -0.03 0.34 -0.19 0.50 0.00 0.00 0.00 175.76 176.39 1ucx s ARG 404 N -0.43 2.66 0.79 0.00 3.52 -0.20 -0.96 118.95 124.33 1ucx s ARG 404 Ca 0.06 -0.72 -0.13 0.00 -0.13 0.00 0.00 55.73 54.82 1ucx s ARG 404 Cb -0.07 -2.22 0.07 0.00 -1.56 0.00 0.00 34.95 31.18 1ucx s ARG 404 CO -0.01 -0.07 1.16 0.45 -0.81 0.00 0.00 175.30 176.02 1ucx s SER 405 N 0.99 3.91 0.00 -2.12 0.15 -1.02 -0.37 113.70 115.24 1ucx s SER 405 Ca -0.05 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1ucx s SER 405 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1ucx s SER 405 CO -0.04 -2.45 0.62 0.00 1.20 0.00 0.00 173.24 172.58 1ucx n GLN 406 N -3.33 0.99 -3.89 5.44 6.02 0.18 -2.60 117.38 120.19 1ucx n GLN 406 Ca 0.12 -0.81 -0.10 0.00 -0.01 0.00 0.00 57.00 56.20 1ucx n GLN 406 Cb 0.51 -0.74 -0.09 0.00 1.02 0.00 0.00 30.24 30.94 1ucx n GLN 406 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ucx s SER 407 N -0.37 0.12 -0.97 1.08 0.01 -1.18 -4.79 113.70 107.59 1ucx s SER 407 Ca 0.00 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.59 1ucx s SER 407 Cb 0.00 0.25 0.08 0.00 0.21 0.00 0.00 66.02 66.57 1ucx s SER 407 CO 0.00 -0.53 1.31 -1.81 0.41 0.00 0.00 173.24 172.62 1ucx s ASP 408 N -2.10 6.54 -0.00 2.44 1.01 -1.26 -2.38 116.67 120.91 1ucx s ASP 408 Ca -0.05 -1.67 -0.00 0.00 0.71 0.00 0.00 52.55 51.54 1ucx s ASP 408 Cb -0.01 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1ucx s ASP 408 CO -0.04 -1.33 0.00 0.59 0.21 0.00 0.00 175.17 174.60 1ucx n ASN 409 N 7.92 -2.08 -4.47 0.27 4.13 -1.11 -4.94 115.26 114.97 1ucx n ASN 409 Ca 0.28 0.04 -0.43 0.00 1.68 0.00 0.00 54.58 56.15 1ucx n ASN 409 Cb 0.50 -1.11 -0.07 0.00 -1.54 0.00 0.00 39.78 37.56 1ucx n ASN 409 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ucx s PHE 410 N -0.02 3.10 0.10 3.10 5.36 -0.83 -4.35 117.98 124.44 1ucx s PHE 410 Ca -0.00 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 1ucx s PHE 410 Cb 0.00 -3.27 -0.04 0.00 -0.34 0.00 0.00 43.02 39.37 1ucx s PHE 410 CO 0.01 -0.88 0.10 -1.21 -1.46 0.00 0.00 175.22 171.78 1ucx s GLU 411 N 2.48 2.92 -0.05 10.12 2.02 -0.89 -1.34 118.70 133.96 1ucx s GLU 411 Ca 0.15 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.21 1ucx s GLU 411 Cb -0.17 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.37 1ucx s GLU 411 CO 0.14 0.55 0.48 1.52 0.02 0.00 0.00 175.26 177.97 1ucx s TYR 412 N -1.48 -0.41 -0.17 1.61 1.13 -0.99 -0.54 117.35 116.49 1ucx s TYR 412 Ca 0.30 0.72 -0.01 0.00 -1.41 0.00 0.00 57.07 56.68 1ucx s TYR 412 Cb -0.12 0.23 -0.00 0.00 -1.10 0.00 0.00 41.96 40.97 1ucx s TYR 412 CO 0.23 -0.47 -0.13 0.14 -2.51 0.00 0.00 175.55 172.81 1ucx s VAL 413 N -1.11 2.79 -0.30 -3.49 -7.23 -0.47 -2.10 120.40 108.49 1ucx s VAL 413 Ca -0.11 -0.72 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1ucx s VAL 413 Cb -0.03 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1ucx s VAL 413 CO 0.06 0.50 0.07 -0.55 -0.31 0.00 0.00 175.10 174.87 1ucx s SER 414 N 1.02 5.10 -0.52 4.85 0.15 0.36 -1.81 113.70 122.85 1ucx s SER 414 Ca -0.01 -0.77 -0.22 0.00 0.70 0.00 0.00 55.95 55.65 1ucx s SER 414 Cb -0.15 -1.87 0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1ucx s SER 414 CO -0.03 -0.20 0.81 -0.36 1.20 0.00 0.00 173.24 174.66 1ucx s PHE 415 N 1.48 2.91 0.02 3.44 0.08 -0.59 -0.89 117.98 124.44 1ucx s PHE 415 Ca 0.02 -0.15 -0.14 0.00 0.12 0.00 0.00 56.93 56.77 1ucx s PHE 415 Cb -0.17 -3.81 -0.06 0.00 -0.57 0.00 0.00 43.02 38.41 1ucx s PHE 415 CO 0.02 -1.17 0.43 0.15 -0.10 0.00 0.00 175.22 174.54 1ucx s LYS 416 N 3.39 3.92 -1.19 0.44 -0.14 -1.05 -1.45 119.74 123.65 1ucx s LYS 416 Ca 0.25 0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 55.16 1ucx s LYS 416 Cb -0.15 -3.18 0.20 0.00 -1.68 0.00 0.00 37.83 33.03 1ucx s LYS 416 CO 0.17 0.66 1.44 0.25 -0.76 0.00 0.00 175.35 177.12 1ucx n THR 417 N 1.65 4.41 0.00 2.17 -2.24 -0.14 -0.61 114.28 119.53 1ucx n THR 417 Ca -0.13 -4.90 0.00 0.00 -2.27 0.00 0.00 64.05 56.75 1ucx n THR 417 Cb 0.52 -2.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 1ucx n THR 417 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ucx n ASN 418 N 4.41 0.00 0.00 3.42 2.85 -1.13 -4.32 115.26 120.49 1ucx n ASN 418 Ca 0.34 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.92 1ucx n ASN 418 Cb 0.40 0.00 0.59 0.00 1.24 0.00 0.00 39.78 42.02 1ucx n ASN 418 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1ucx n ASP 419 N 0.00 0.00 -3.18 1.20 5.75 -1.25 -3.46 116.55 115.61 1ucx n ASP 419 Ca 0.00 -0.22 -0.24 0.00 -0.01 0.00 0.00 54.79 54.32 1ucx n ASP 419 Cb 0.00 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 39.82 1ucx n ASP 419 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ucx n THR 420 N -1.21 -0.69 -1.95 2.12 -2.24 -1.26 -1.31 114.28 107.75 1ucx n THR 420 Ca 0.12 -3.94 -0.34 0.00 -2.27 0.00 0.00 64.05 57.63 1ucx n THR 420 Cb 0.15 -1.87 0.03 0.00 -2.10 0.00 0.00 70.33 66.54 1ucx n THR 420 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ucx s PRO 421 N -1.11 2.95 -0.07 -0.78 0.04 -1.23 -4.98 135.00 129.83 1ucx s PRO 421 Ca 0.35 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1ucx s PRO 421 Cb 0.17 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1ucx s PRO 421 CO -0.12 -1.16 -0.12 -1.64 0.04 0.00 0.00 177.00 174.00 1ucx s MET 422 N -3.65 1.75 -0.02 4.56 -1.94 -1.26 -5.03 119.30 113.71 1ucx s MET 422 Ca 0.72 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 54.29 1ucx s MET 422 Cb -0.24 -1.46 -0.03 0.00 2.01 0.00 0.00 34.83 35.10 1ucx s MET 422 CO 0.35 0.00 -0.01 0.96 -0.01 0.00 0.00 175.02 176.31 1ucx s ILE 423 N 0.75 4.08 -0.47 2.53 -4.36 -1.26 -0.27 121.20 122.19 1ucx s ILE 423 Ca -0.13 -0.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.71 1ucx s ILE 423 Cb -0.16 -2.79 0.12 0.00 1.25 0.00 0.00 42.46 40.89 1ucx s ILE 423 CO 0.03 0.43 0.23 -0.83 0.24 0.00 0.00 174.94 175.03 1ucx s GLY 424 N -1.38 2.24 0.06 6.27 0.00 0.42 -4.94 107.32 109.98 1ucx s GLY 424 Ca 0.18 -2.94 -0.31 0.00 0.00 0.00 0.00 44.72 41.65 1ucx s GLY 424 CO 0.08 1.01 1.35 -1.59 0.00 0.00 0.00 173.10 173.95 1ucx s THR 425 N 0.33 3.61 -2.08 0.90 2.01 -1.26 -2.65 115.64 116.51 1ucx s THR 425 Ca 0.14 1.12 0.22 0.00 0.31 0.00 0.00 61.69 63.47 1ucx s THR 425 Cb -0.22 -3.72 0.53 0.00 0.01 0.00 0.00 72.50 69.10 1ucx s THR 425 CO -0.04 0.06 1.45 0.18 -0.69 0.00 0.00 174.62 175.58 1ucx n LEU 426 N 4.40 3.67 -3.64 4.42 4.32 -0.60 -1.88 117.00 127.68 1ucx n LEU 426 Ca 0.11 -1.79 -0.06 0.00 -0.02 0.00 0.00 56.01 54.25 1ucx n LEU 426 Cb 0.44 -0.37 -0.07 0.00 -1.62 0.00 0.00 43.42 41.80 1ucx n LEU 426 CO 0.58 0.87 0.54 0.00 -1.22 0.00 0.00 177.39 178.16 1ucx s ALA 427 N -1.18 -2.04 0.00 -1.18 0.00 -1.26 -4.77 121.76 111.32 1ucx s ALA 427 Ca 0.43 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.61 1ucx s ALA 427 Cb 0.23 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1ucx s ALA 427 CO 0.31 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1ucx n GLY 428 N 3.62 -1.14 0.34 0.00 0.00 -1.26 -4.64 105.19 102.10 1ucx n GLY 428 Ca -0.18 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.70 1ucx n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucx n ALA 429 N -0.28 0.30 -1.53 4.61 0.00 -0.45 -1.67 120.51 121.48 1ucx n ALA 429 Ca 0.00 1.06 -0.08 0.00 0.00 0.00 0.00 53.44 54.42 1ucx n ALA 429 Cb 0.00 -0.67 0.17 0.00 0.00 0.00 0.00 19.45 18.95 1ucx n ALA 429 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ucx n ASN 430 N -5.54 2.96 -4.69 0.00 2.85 -1.26 -4.98 115.26 104.61 1ucx n ASN 430 Ca 0.17 -3.80 -0.29 0.00 -0.11 0.00 0.00 54.58 50.55 1ucx n ASN 430 Cb 0.56 -0.62 0.16 0.00 1.24 0.00 0.00 39.78 41.12 1ucx n ASN 430 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1ucx s SER 431 N -2.68 2.96 0.45 1.20 1.04 -0.67 -4.80 113.70 111.19 1ucx s SER 431 Ca 0.46 1.36 0.25 0.00 0.48 0.00 0.00 55.95 58.50 1ucx s SER 431 Cb 0.41 -2.03 0.79 0.00 0.10 0.00 0.00 66.02 65.29 1ucx s SER 431 CO -0.01 -2.94 1.77 -0.07 0.98 0.00 0.00 173.24 172.97 1ucx h LEU 432 N -1.76 0.00 0.00 2.42 4.07 -1.69 -2.64 115.31 115.71 1ucx h LEU 432 Ca -0.52 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.24 1ucx h LEU 432 Cb 1.31 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.02 1ucx h LEU 432 CO 0.56 0.15 -1.00 -0.07 -1.08 0.00 0.00 178.44 176.99 1ucx h LEU 433 N 0.00 0.00 -0.45 1.67 3.38 -1.86 -3.12 115.31 114.94 1ucx h LEU 433 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ucx h LEU 433 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1ucx h LEU 433 CO 0.02 0.89 0.21 0.78 0.09 0.00 0.00 178.44 180.42 1ucx h ASN 434 N 0.00 0.60 0.00 -0.43 -0.26 -1.84 -2.47 115.58 111.18 1ucx h ASN 434 Ca -0.05 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1ucx h ASN 434 Cb 1.72 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 1ucx h ASN 434 CO 0.11 0.57 0.00 0.00 -1.06 0.00 0.00 177.43 177.05 1ucx n ALA 435 N -2.30 2.25 -2.37 -0.83 0.00 -1.02 -4.71 120.51 111.53 1ucx n ALA 435 Ca 0.01 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 1ucx n ALA 435 Cb 0.12 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1ucx n ALA 435 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ucx s LEU 436 N -1.64 4.42 0.07 0.00 1.43 -0.93 -5.07 118.68 116.97 1ucx s LEU 436 Ca 0.20 1.09 -0.37 0.00 -1.03 0.00 0.00 54.13 54.03 1ucx s LEU 436 Cb 0.09 -3.01 -0.18 0.00 0.03 0.00 0.00 46.19 43.13 1ucx s LEU 436 CO 0.16 0.20 1.22 -2.65 0.23 0.00 0.00 176.35 175.51 1ucx n PRO 437 N 1.27 0.79 0.00 1.29 -0.02 -1.26 -4.87 135.00 132.19 1ucx n PRO 437 Ca -0.09 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ucx n PRO 437 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1ucx n PRO 437 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ucx n GLU 438 N 2.10 0.00 -0.00 -0.52 2.13 -1.26 -1.83 120.64 121.26 1ucx n GLU 438 Ca 0.18 0.21 0.04 0.00 0.66 0.00 0.00 57.16 58.25 1ucx n GLU 438 Cb 0.17 -1.57 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 1ucx n GLU 438 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ucx n GLU 439 N -1.15 2.90 0.10 5.31 2.13 -1.26 -3.90 120.64 124.76 1ucx n GLU 439 Ca 0.00 -0.03 -0.05 0.00 0.66 0.00 0.00 57.16 57.74 1ucx n GLU 439 Cb 0.07 -0.98 0.02 0.00 0.27 0.00 0.00 31.44 30.82 1ucx n GLU 439 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1ucx h VAL 440 N 0.00 1.56 -0.59 6.31 -1.51 -1.74 -3.06 116.25 117.22 1ucx h VAL 440 Ca 0.00 -2.74 -0.09 0.00 -1.23 0.00 0.00 66.70 62.65 1ucx h VAL 440 Cb 0.24 2.49 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1ucx h VAL 440 CO 0.00 0.79 0.04 -0.29 -1.23 0.00 0.00 177.57 176.87 1ucx h ILE 441 N 0.02 1.26 -0.78 7.19 2.10 -1.77 0.49 117.51 126.03 1ucx h ILE 441 Ca -0.02 -1.09 0.06 0.00 1.08 0.00 0.00 64.86 64.89 1ucx h ILE 441 Cb 1.45 0.80 -0.05 0.00 -1.09 0.00 0.00 36.82 37.93 1ucx h ILE 441 CO 0.11 0.40 0.51 1.56 -1.08 0.00 0.00 178.15 179.65 1ucx h GLN 442 N 0.91 0.84 0.00 2.19 4.20 -1.67 -1.36 115.11 120.23 1ucx h GLN 442 Ca 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ucx h GLN 442 Cb 0.51 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1ucx h GLN 442 CO 0.02 0.55 -1.31 0.72 -0.67 0.00 0.00 178.83 178.15 1ucx n HIS 443 N -4.48 0.00 -0.03 2.96 8.25 -0.96 -1.06 115.22 119.90 1ucx n HIS 443 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1ucx n HIS 443 Cb 0.20 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.02 1ucx n HIS 443 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ucx n THR 444 N -1.74 1.23 0.01 1.59 -2.24 0.12 -4.29 114.28 108.97 1ucx n THR 444 Ca 0.02 -0.76 0.04 0.00 -2.27 0.00 0.00 64.05 61.08 1ucx n THR 444 Cb 0.41 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 67.89 1ucx n THR 444 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ucx n PHE 445 N -2.81 0.49 -2.52 4.78 3.72 -0.52 -5.01 117.46 115.59 1ucx n PHE 445 Ca -0.19 0.16 -0.07 0.00 -0.05 0.00 0.00 57.45 57.29 1ucx n PHE 445 Cb 0.97 -0.85 0.04 0.00 -0.94 0.00 0.00 39.48 38.70 1ucx n PHE 445 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1ucx n ASN 446 N -2.61 -2.67 -4.54 4.37 5.15 -0.59 -5.06 115.26 109.30 1ucx n ASN 446 Ca -0.10 -0.29 -0.30 0.00 -0.60 0.00 0.00 54.58 53.29 1ucx n ASN 446 Cb 0.74 -2.57 -0.11 0.00 -0.53 0.00 0.00 39.78 37.31 1ucx n ASN 446 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ucx s LEU 447 N -3.98 2.93 0.74 1.20 1.43 -0.23 -5.02 118.68 115.75 1ucx s LEU 447 Ca 0.07 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1ucx s LEU 447 Cb -0.01 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1ucx s LEU 447 CO 0.33 0.22 1.10 -0.54 0.23 0.00 0.00 176.35 177.68 1ucx s LYS 448 N -1.84 2.43 0.45 1.70 3.01 -1.26 -4.47 119.74 119.77 1ucx s LYS 448 Ca 0.18 1.23 0.14 0.00 -1.01 0.00 0.00 55.97 56.51 1ucx s LYS 448 Cb -0.11 -1.92 1.07 0.00 -1.01 0.00 0.00 37.83 35.86 1ucx s LYS 448 CO 0.10 -1.51 2.02 1.03 0.51 0.00 0.00 175.35 177.50 1ucx h SER 449 N -0.78 0.30 -0.27 2.83 0.87 -1.97 -1.35 113.55 113.18 1ucx h SER 449 Ca -0.44 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 1ucx h SER 449 Cb 1.23 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1ucx h SER 449 CO 0.52 0.19 -0.10 -0.61 -0.53 0.00 0.00 176.83 176.31 1ucx h GLN 450 N 0.34 0.54 -0.05 2.24 -0.00 -1.99 -3.29 115.11 112.91 1ucx h GLN 450 Ca 0.21 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1ucx h GLN 450 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 1ucx h GLN 450 CO -0.05 0.77 -0.03 1.96 0.00 0.00 0.00 178.83 181.49 1ucx h GLN 451 N 0.29 0.10 -1.17 1.69 4.20 -1.76 -3.25 115.11 115.20 1ucx h GLN 451 Ca 0.06 -0.05 0.35 0.00 0.06 0.00 0.00 58.65 59.08 1ucx h GLN 451 Cb 0.59 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.26 1ucx h GLN 451 CO 0.03 0.51 0.76 0.00 -0.67 0.00 0.00 178.83 179.46 1ucx h ALA 452 N 0.59 2.49 -0.70 3.87 0.00 -1.34 0.44 119.26 124.61 1ucx h ALA 452 Ca 0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ucx h ALA 452 Cb 0.48 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ucx h ALA 452 CO 0.01 -1.00 0.24 0.00 0.00 0.00 0.00 179.25 178.50 1ucx h ARG 453 N 0.23 1.08 -0.60 0.00 3.08 -1.64 -2.55 114.38 113.99 1ucx h ARG 453 Ca 0.70 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 60.44 1ucx h ARG 453 Cb 2.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.90 1ucx h ARG 453 CO -0.35 0.91 0.04 1.96 -1.07 0.00 0.00 179.97 181.46 1ucx h GLN 454 N 1.02 1.03 0.00 0.04 4.20 -0.23 -0.32 115.11 120.85 1ucx h GLN 454 Ca 0.23 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ucx h GLN 454 Cb 0.27 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ucx h GLN 454 CO -0.01 1.00 0.00 -0.89 -0.67 0.00 0.00 178.83 178.26 1ucx n ILE 455 N -4.23 1.14 0.37 2.54 5.41 -1.03 -1.19 119.36 122.37 1ucx n ILE 455 Ca 0.03 0.37 0.04 0.00 1.00 0.00 0.00 62.75 64.19 1ucx n ILE 455 Cb 0.32 -1.27 -0.05 0.00 -0.71 0.00 0.00 39.64 37.93 1ucx n ILE 455 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1ucx n LYS 456 N -1.86 3.48 0.00 0.38 5.02 -0.91 -4.84 118.16 119.43 1ucx n LYS 456 Ca 0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ucx n LYS 456 Cb 0.13 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1ucx n LYS 456 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ucx n ASN 457 N -1.30 0.04 0.24 4.39 3.02 -0.18 -4.85 115.26 116.62 1ucx n ASN 457 Ca 0.01 -0.06 0.07 0.00 -0.03 0.00 0.00 54.58 54.57 1ucx n ASN 457 Cb 0.16 0.13 0.57 0.00 -0.61 0.00 0.00 39.78 40.02 1ucx n ASN 457 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1ucx h ASN 458 N 0.00 0.01 -3.54 6.41 2.35 -1.35 -3.35 115.58 116.10 1ucx h ASN 458 Ca 0.00 -0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 55.01 1ucx h ASN 458 Cb 0.00 -0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.07 1ucx h ASN 458 CO 0.00 0.09 -0.27 0.21 -1.65 0.00 0.00 177.43 175.81 1ucx s ASN 459 N -7.03 5.87 0.01 5.81 3.84 -1.26 -4.94 114.94 117.24 1ucx s ASN 459 Ca -0.05 -2.23 0.05 0.00 0.21 0.00 0.00 52.86 50.84 1ucx s ASN 459 Cb 0.16 -2.04 0.22 0.00 -0.55 0.00 0.00 41.25 39.05 1ucx s ASN 459 CO 0.68 -0.63 1.16 -0.81 -2.79 0.00 0.00 177.10 174.72 1ucx n PRO 460 N 4.49 0.01 -3.39 0.43 -0.04 -1.26 -3.61 135.00 131.63 1ucx n PRO 460 Ca -0.01 0.43 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 1ucx n PRO 460 Cb 0.41 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1ucx n PRO 460 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ucx s PHE 461 N -3.02 3.75 -0.19 0.54 0.08 -1.26 -4.33 117.98 113.55 1ucx s PHE 461 Ca 0.02 1.11 -0.19 0.00 0.12 0.00 0.00 56.93 57.99 1ucx s PHE 461 Cb 0.03 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1ucx s PHE 461 CO 0.09 0.59 0.53 0.21 -0.10 0.00 0.00 175.22 176.54 1ucx s LYS 462 N -0.97 4.21 0.00 0.44 2.36 -1.26 -1.34 119.74 123.18 1ucx s LYS 462 Ca 0.26 0.45 0.00 0.00 -2.55 0.00 0.00 55.97 54.13 1ucx s LYS 462 Cb -0.18 -3.55 0.00 0.00 -1.05 0.00 0.00 37.83 33.05 1ucx s LYS 462 CO 0.16 -0.13 0.00 0.34 1.55 0.00 0.00 175.35 177.26 1ucx n PHE 463 N 4.71 0.00 -2.81 4.03 7.35 -1.26 -4.76 117.46 124.72 1ucx n PHE 463 Ca -0.04 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.22 1ucx n PHE 463 Cb 0.50 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 1ucx n PHE 463 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ucx s LEU 464 N 0.00 4.00 -0.22 -2.13 1.02 -1.26 -2.16 118.68 117.93 1ucx s LEU 464 Ca 0.00 0.63 -0.08 0.00 0.02 0.00 0.00 54.13 54.70 1ucx s LEU 464 Cb 0.00 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.91 1ucx s LEU 464 CO 0.00 -0.84 0.08 0.54 0.02 0.00 0.00 176.35 176.15 1ucx s VAL 465 N 3.44 4.66 0.94 -1.59 0.11 -0.35 -4.86 120.40 122.75 1ucx s VAL 465 Ca 0.38 -0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.26 1ucx s VAL 465 Cb -0.12 -3.15 0.14 0.00 -1.53 0.00 0.00 36.38 31.72 1ucx s VAL 465 CO 0.18 0.38 1.04 -2.65 -3.33 0.00 0.00 175.10 170.72 1ucx n PRO 466 N 4.28 -0.54 -1.75 1.54 -0.02 -1.26 -1.08 135.00 136.18 1ucx n PRO 466 Ca -0.16 -0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 60.81 1ucx n PRO 466 Cb 0.52 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1ucx n PRO 466 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ucx n PRO 467 N -3.94 2.71 -0.33 0.52 -0.02 -1.26 -4.69 135.00 128.00 1ucx n PRO 467 Ca 0.11 0.96 0.29 0.00 -2.02 0.00 0.00 63.50 62.84 1ucx n PRO 467 Cb 0.52 -2.74 0.62 0.00 -0.02 0.00 0.00 33.50 31.88 1ucx n PRO 467 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ucx h GLN 468 N 4.56 0.20 -4.49 -0.52 4.20 -1.94 -3.48 115.11 113.65 1ucx h GLN 468 Ca -0.47 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.23 1ucx h GLN 468 Cb 1.23 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 1ucx h GLN 468 CO 0.77 0.14 -1.15 0.39 -0.67 0.00 0.00 178.83 178.31 1ucx n GLU 469 N -4.45 -3.35 0.00 1.46 1.02 -1.26 -5.25 120.64 108.81 1ucx n GLU 469 Ca 0.26 2.66 0.00 0.00 -0.02 0.00 0.00 57.16 60.06 1ucx n GLU 469 Cb 1.07 -4.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.41 1ucx n GLU 469 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74