#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucx h GLN 15 N 0.00 0.49 -2.29 0.38 3.07 -2.03 -3.47 115.11 111.25 1ucx h GLN 15 Ca 0.00 -0.38 -0.07 0.00 0.09 0.00 0.00 58.65 58.28 1ucx h GLN 15 Cb 0.00 0.07 -0.19 0.00 0.08 0.00 0.00 27.48 27.44 1ucx h GLN 15 CO 0.00 1.01 0.07 0.15 0.09 0.00 0.00 178.83 180.15 1ucx s LYS 16 N -3.72 0.96 0.33 0.06 1.02 -1.26 -4.78 119.74 112.35 1ucx s LYS 16 Ca -0.13 0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.07 1ucx s LYS 16 Cb 0.05 0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 37.77 1ucx s LYS 16 CO 0.81 -0.30 0.13 -0.51 -0.92 0.00 0.00 175.35 174.56 1ucx s LEU 17 N -1.26 3.28 -0.03 3.17 1.43 0.33 -5.01 118.68 120.58 1ucx s LEU 17 Ca -0.11 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 1ucx s LEU 17 Cb -0.01 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.51 1ucx s LEU 17 CO 0.08 -0.24 0.68 0.54 0.23 0.00 0.00 176.35 177.64 1ucx s ASN 18 N -3.82 -0.64 -0.22 2.29 2.20 -1.26 -4.74 114.94 108.75 1ucx s ASN 18 Ca 0.37 0.63 -0.29 0.00 -0.94 0.00 0.00 52.86 52.63 1ucx s ASN 18 Cb -0.03 0.54 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 1ucx s ASN 18 CO 0.22 -0.64 1.77 0.00 -2.94 0.00 0.00 177.10 175.51 1ucx s ALA 19 N -1.47 3.14 -0.16 3.54 0.00 -1.26 -4.71 121.76 120.84 1ucx s ALA 19 Ca -0.09 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 1ucx s ALA 19 Cb -0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1ucx s ALA 19 CO 0.07 -2.18 0.09 -0.51 0.00 0.00 0.00 175.76 173.24 1ucx s LEU 20 N 5.92 4.04 0.24 0.00 1.43 -0.62 -4.83 118.68 124.86 1ucx s LEU 20 Ca 0.79 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.19 1ucx s LEU 20 Cb -0.27 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1ucx s LEU 20 CO 0.32 0.26 0.14 -1.59 0.23 0.00 0.00 176.35 175.72 1ucx s LYS 21 N -0.13 2.79 0.67 1.70 -2.85 -1.26 -0.99 119.74 119.67 1ucx s LYS 21 Ca 0.09 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.85 1ucx s LYS 21 Cb -0.12 -2.50 -0.01 0.00 -2.06 0.00 0.00 37.83 33.15 1ucx s LYS 21 CO 0.01 0.41 1.05 -1.25 0.10 0.00 0.00 175.35 175.67 1ucx s PRO 22 N -3.67 3.15 -0.02 1.78 0.04 -1.26 -4.92 135.00 130.10 1ucx s PRO 22 Ca 0.32 0.85 0.11 0.00 0.04 0.00 0.00 61.00 62.32 1ucx s PRO 22 Cb -0.08 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.26 1ucx s PRO 22 CO 0.24 -0.92 0.25 -0.40 0.04 0.00 0.00 177.00 176.20 1ucx n ASP 23 N -3.00 2.39 -4.17 6.66 5.75 -1.24 -5.01 116.55 117.94 1ucx n ASP 23 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.57 1ucx n ASP 23 Cb 0.54 1.50 -0.16 0.00 -1.03 0.00 0.00 41.12 41.97 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 -3.34 2.42 -0.10 -1.12 2.47 -1.16 -5.05 114.94 109.06 1ucx s ASN 24 Ca -0.04 -0.40 -0.08 0.00 0.42 0.00 0.00 52.86 52.76 1ucx s ASN 24 Cb 0.07 -0.68 0.03 0.00 -1.45 0.00 0.00 41.25 39.22 1ucx s ASN 24 CO 0.47 0.18 0.25 -0.60 -3.72 0.00 0.00 177.10 173.68 1ucx s ARG 25 N -0.00 0.27 -0.14 0.43 3.52 -1.26 -1.61 118.95 120.16 1ucx s ARG 25 Ca -0.04 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 1ucx s ARG 25 Cb -0.12 0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1ucx s ARG 25 CO 0.03 -0.07 -0.11 0.42 -0.81 0.00 0.00 175.30 174.76 1ucx s ILE 26 N 0.41 1.36 -0.45 4.11 1.01 0.21 -4.98 121.20 122.86 1ucx s ILE 26 Ca -0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 1ucx s ILE 26 Cb -0.04 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.13 1ucx s ILE 26 CO -0.02 0.39 0.89 -1.61 0.00 0.00 0.00 174.94 174.59 1ucx s GLU 27 N 1.57 3.51 0.14 2.79 8.01 -1.26 -1.76 118.70 131.70 1ucx s GLU 27 Ca 0.04 0.10 -0.00 0.00 0.01 0.00 0.00 54.97 55.13 1ucx s GLU 27 Cb -0.13 -3.92 -0.04 0.00 -4.31 0.00 0.00 34.13 25.72 1ucx s GLU 27 CO -0.10 -1.18 0.31 0.45 0.01 0.00 0.00 175.26 174.75 1ucx s SER 28 N 2.22 6.38 0.18 -0.19 0.15 -0.65 -4.86 113.70 116.92 1ucx s SER 28 Ca 0.35 0.33 -0.20 0.00 0.70 0.00 0.00 55.95 57.13 1ucx s SER 28 Cb -0.11 -1.98 0.11 0.00 -1.71 0.00 0.00 66.02 62.33 1ucx s SER 28 CO 0.25 0.06 1.37 1.21 1.20 0.00 0.00 173.24 177.33 1ucx n GLU 29 N -0.26 -0.28 -2.10 5.44 2.13 -1.16 -2.15 120.64 122.26 1ucx n GLU 29 Ca -0.05 1.36 -0.32 0.00 0.66 0.00 0.00 57.16 58.80 1ucx n GLU 29 Cb 0.53 -2.00 0.03 0.00 0.27 0.00 0.00 31.44 30.26 1ucx n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ucx n GLY 30 N -1.35 5.86 0.00 8.31 0.00 -0.42 -4.81 105.19 112.78 1ucx n GLY 30 Ca 0.06 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.57 0.19 3.19 -0.02 0.00 -0.92 -2.87 105.19 104.18 1ucx n GLY 31 Ca 0.48 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 1.40 -0.04 0.99 2.96 -0.56 -1.64 118.68 121.78 1ucx s LEU 32 Ca 0.00 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1ucx s LEU 32 Cb 0.00 0.97 0.03 0.00 0.50 0.00 0.00 46.19 47.69 1ucx s LEU 32 CO 0.00 -0.61 0.01 -0.63 -1.32 0.00 0.00 176.35 173.80 1ucx s ILE 33 N -2.98 0.20 0.02 6.68 1.01 -0.72 -0.58 121.20 124.83 1ucx s ILE 33 Ca -0.02 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1ucx s ILE 33 Cb 0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 1ucx s ILE 33 CO -0.06 0.18 -0.13 -1.61 0.00 0.00 0.00 174.94 173.32 1ucx s GLU 34 N 1.36 2.32 -0.05 2.79 2.02 -0.18 -0.61 118.70 126.35 1ucx s GLU 34 Ca -0.05 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 1ucx s GLU 34 Cb -0.13 -2.34 0.04 0.00 0.10 0.00 0.00 34.13 31.79 1ucx s GLU 34 CO -0.02 0.57 0.10 0.95 0.02 0.00 0.00 175.26 176.87 1ucx s THR 35 N -0.94 -0.09 0.19 3.63 -4.23 -0.63 -0.05 115.64 113.51 1ucx s THR 35 Ca 0.16 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.61 1ucx s THR 35 Cb -0.11 -0.18 -0.08 0.00 1.34 0.00 0.00 72.50 73.48 1ucx s THR 35 CO 0.06 0.10 1.06 0.26 -0.54 0.00 0.00 174.62 175.56 1ucx s TRP 36 N 1.39 3.68 -0.37 3.99 0.51 -0.08 -3.00 118.94 125.06 1ucx s TRP 36 Ca -0.06 1.68 -0.27 0.00 -2.12 0.00 0.00 56.10 55.33 1ucx s TRP 36 Cb -0.12 -3.20 -0.07 0.00 -0.81 0.00 0.00 33.47 29.27 1ucx s TRP 36 CO -0.05 -0.33 2.33 -1.71 -0.51 0.00 0.00 176.95 176.68 1ucx n ASN 37 N 2.18 2.72 0.00 2.95 2.85 -1.26 -4.47 115.26 120.22 1ucx n ASN 37 Ca 0.02 -0.13 0.09 0.00 -0.11 0.00 0.00 54.58 54.44 1ucx n ASN 37 Cb 0.47 -1.55 0.53 0.00 1.24 0.00 0.00 39.78 40.47 1ucx n ASN 37 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ucx n PRO 38 N 8.86 0.56 -0.63 1.20 -0.04 -1.26 -2.67 135.00 141.01 1ucx n PRO 38 Ca 0.34 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 1ucx n PRO 38 Cb 0.48 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.00 4.35 -4.80 3.54 3.02 -1.26 -4.00 115.26 115.11 1ucx n ASN 39 Ca 0.13 -3.07 -0.33 0.00 -0.03 0.00 0.00 54.58 51.29 1ucx n ASN 39 Cb 0.06 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1ucx n ASN 39 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ucx s ASN 40 N -1.62 5.71 0.11 6.41 0.02 -1.09 -4.91 114.94 119.57 1ucx s ASN 40 Ca 0.47 1.83 -0.17 0.00 -1.02 0.00 0.00 52.86 53.96 1ucx s ASN 40 Cb 0.37 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 39.07 1ucx s ASN 40 CO 0.10 -1.22 1.63 0.50 0.02 0.00 0.00 177.10 178.13 1ucx h LYS 41 N 0.37 0.49 -0.96 -0.60 3.64 -1.93 -2.16 116.57 115.42 1ucx h LYS 41 Ca -0.47 -0.10 0.28 0.00 -1.27 0.00 0.00 60.65 59.08 1ucx h LYS 41 Cb 1.22 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.83 1ucx h LYS 41 CO 0.57 0.53 0.47 -1.35 -2.27 0.00 0.00 179.45 177.40 1ucx h PRO 42 N 0.36 0.33 0.03 1.90 0.11 -1.94 -1.60 132.00 131.18 1ucx h PRO 42 Ca 0.10 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.98 1ucx h PRO 42 Cb 0.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1ucx h PRO 42 CO -0.00 0.22 -0.97 0.74 -0.21 0.00 0.00 178.00 177.78 1ucx h PHE 43 N 0.34 0.22 -0.25 0.65 0.04 -1.81 -1.92 116.94 114.21 1ucx h PHE 43 Ca 0.65 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 61.22 1ucx h PHE 43 Cb 1.39 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.51 1ucx h PHE 43 CO -0.09 1.02 -0.14 1.96 -0.60 0.00 0.00 178.31 180.46 1ucx h GLN 44 N 0.06 0.41 -0.02 1.51 1.08 -0.71 0.62 115.11 118.06 1ucx h GLN 44 Ca -0.05 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1ucx h GLN 44 Cb 1.65 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.03 1ucx h GLN 44 CO 0.14 0.55 -0.08 0.00 -0.95 0.00 0.00 178.83 178.49 1ucx h ALA 46 N 0.38 1.40 -0.87 0.00 0.00 -1.26 -3.48 119.26 115.44 1ucx h ALA 46 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1ucx h ALA 46 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ucx h ALA 46 CO 0.02 0.44 -0.12 0.41 0.00 0.00 0.00 179.25 179.99 1ucx n GLY 47 N -0.55 0.25 3.26 0.00 0.00 0.20 -4.95 105.19 103.40 1ucx n GLY 47 Ca -0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.36 0.98 -0.13 1.61 -7.23 -1.22 -2.40 120.40 109.65 1ucx s VAL 48 Ca 0.02 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1ucx s VAL 48 Cb -0.01 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.95 1ucx s VAL 48 CO 0.02 -0.61 -0.19 0.00 -0.31 0.00 0.00 175.10 174.01 1ucx s ALA 49 N -3.45 2.02 -0.17 1.32 0.00 -0.75 -4.85 121.76 115.86 1ucx s ALA 49 Ca 0.20 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 1ucx s ALA 49 Cb 0.04 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1ucx s ALA 49 CO 0.02 -0.08 0.13 -0.51 0.00 0.00 0.00 175.76 175.32 1ucx s LEU 50 N 0.93 4.23 -0.01 0.00 1.43 -1.26 -2.06 118.68 121.94 1ucx s LEU 50 Ca -0.06 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1ucx s LEU 50 Cb -0.15 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1ucx s LEU 50 CO -0.03 0.26 -0.14 -0.55 0.23 0.00 0.00 176.35 176.12 1ucx s SER 51 N -0.11 1.66 -0.33 2.29 0.15 -0.93 -0.90 113.70 115.53 1ucx s SER 51 Ca 0.10 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1ucx s SER 51 Cb -0.11 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.06 1ucx s SER 51 CO 0.00 0.16 0.04 -0.60 1.20 0.00 0.00 173.24 174.04 1ucx s ARG 52 N -0.25 1.65 0.62 5.44 3.52 0.93 -1.67 118.95 129.19 1ucx s ARG 52 Ca 0.04 -1.79 -0.08 0.00 -0.13 0.00 0.00 55.73 53.77 1ucx s ARG 52 Cb -0.06 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 1ucx s ARG 52 CO -0.00 -0.89 0.96 0.00 -0.81 0.00 0.00 175.30 174.55 1ucx s THR 54 N -3.10 -0.08 -0.24 0.00 -1.32 0.26 -3.07 115.64 108.08 1ucx s THR 54 Ca 0.55 0.10 -0.08 0.00 -1.21 0.00 0.00 61.69 61.06 1ucx s THR 54 Cb -0.11 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.24 1ucx s THR 54 CO 0.47 0.04 0.08 -0.76 -2.21 0.00 0.00 174.62 172.25 1ucx s LEU 55 N 1.51 3.59 0.00 9.08 1.43 0.27 -1.50 118.68 133.06 1ucx s LEU 55 Ca -0.09 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1ucx s LEU 55 Cb -0.09 -1.95 0.18 0.00 0.03 0.00 0.00 46.19 44.35 1ucx s LEU 55 CO -0.13 0.01 1.08 0.59 0.23 0.00 0.00 176.35 178.14 1ucx n ASN 56 N 4.61 0.45 -4.71 2.29 4.13 -1.14 -0.38 115.26 120.52 1ucx n ASN 56 Ca -0.16 -1.62 -0.38 0.00 1.68 0.00 0.00 54.58 54.10 1ucx n ASN 56 Cb 0.52 -0.79 0.05 0.00 -1.54 0.00 0.00 39.78 38.01 1ucx n ASN 56 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ucx n ARG 57 N -3.22 1.46 -1.21 3.52 0.63 -1.25 -2.85 116.66 113.75 1ucx n ARG 57 Ca 0.15 0.54 -0.07 0.00 -0.92 0.00 0.00 57.85 57.55 1ucx n ARG 57 Cb 0.52 -2.47 -0.03 0.00 0.45 0.00 0.00 32.46 30.93 1ucx n ARG 57 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ucx n ASN 58 N -0.99 -5.68 -4.80 6.15 4.13 0.14 -4.89 115.26 109.32 1ucx n ASN 58 Ca 0.12 0.18 -0.37 0.00 1.68 0.00 0.00 54.58 56.18 1ucx n ASN 58 Cb 0.45 -3.81 -0.06 0.00 -1.54 0.00 0.00 39.78 34.82 1ucx n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ucx s ALA 59 N -1.66 3.36 -0.05 5.41 0.00 -1.11 -1.15 121.76 126.56 1ucx s ALA 59 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.31 1ucx s ALA 59 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1ucx s ALA 59 CO 0.00 0.28 -0.18 -1.17 0.00 0.00 0.00 175.76 174.69 1ucx s LEU 60 N -1.83 2.49 -0.24 0.00 0.20 -0.28 -1.21 118.68 117.81 1ucx s LEU 60 Ca 0.44 -0.31 -0.09 0.00 0.69 0.00 0.00 54.13 54.85 1ucx s LEU 60 Cb -0.18 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.04 1ucx s LEU 60 CO 0.23 0.31 0.13 -0.60 -0.29 0.00 0.00 176.35 176.13 1ucx s ARG 61 N -0.55 3.95 0.49 1.98 3.52 0.98 -0.96 118.95 128.36 1ucx s ARG 61 Ca 0.08 -0.33 -0.21 0.00 -0.13 0.00 0.00 55.73 55.13 1ucx s ARG 61 Cb -0.11 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.75 1ucx s ARG 61 CO 0.01 0.02 1.13 1.03 -0.81 0.00 0.00 175.30 176.68 1ucx s ARG 62 N 1.14 3.63 0.09 5.12 0.52 -0.34 -2.64 118.95 126.47 1ucx s ARG 62 Ca 0.06 1.66 -0.37 0.00 -0.52 0.00 0.00 55.73 56.57 1ucx s ARG 62 Cb -0.14 -2.24 -0.17 0.00 0.52 0.00 0.00 34.95 32.92 1ucx s ARG 62 CO 0.05 -0.63 1.27 -2.30 0.02 0.00 0.00 175.30 173.71 1ucx n PRO 63 N -0.81 0.98 -4.10 3.54 -0.02 -1.26 -4.78 135.00 128.56 1ucx n PRO 63 Ca 0.09 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1ucx n PRO 63 Cb 0.50 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.35 0.35 0.07 2.55 1.04 -1.17 -1.50 113.70 115.39 1ucx s SER 64 Ca 0.84 -1.26 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1ucx s SER 64 Cb -0.98 0.55 0.08 0.00 0.10 0.00 0.00 66.02 65.76 1ucx s SER 64 CO 0.49 -1.09 0.67 -0.72 0.98 0.00 0.00 173.24 173.57 1ucx s TYR 65 N -3.76 -0.54 0.21 5.02 -0.85 -1.01 -2.25 117.35 114.16 1ucx s TYR 65 Ca 0.30 0.55 0.02 0.00 -0.52 0.00 0.00 57.07 57.43 1ucx s TYR 65 Cb 0.02 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.82 1ucx s TYR 65 CO 0.14 -0.73 0.01 0.95 -1.52 0.00 0.00 175.55 174.40 1ucx s THR 66 N -2.86 0.82 0.00 -3.49 -4.23 -1.26 -1.39 115.64 103.23 1ucx s THR 66 Ca -0.02 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1ucx s THR 66 Cb -0.01 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.49 1ucx s THR 66 CO -0.06 -0.36 2.35 -0.46 -0.54 0.00 0.00 174.62 175.56 1ucx n ASN 67 N -0.34 5.15 -3.61 3.99 6.94 -1.26 -1.39 115.26 124.74 1ucx n ASN 67 Ca -0.05 -2.39 -0.03 0.00 -0.02 0.00 0.00 54.58 52.10 1ucx n ASN 67 Cb 0.64 -1.17 -0.02 0.00 -2.36 0.00 0.00 39.78 36.87 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 2.01 -0.29 -0.16 4.83 0.00 -1.26 -4.02 107.32 108.43 1ucx s GLY 68 Ca 0.17 1.58 -0.27 0.00 0.00 0.00 0.00 44.72 46.20 1ucx s GLY 68 CO 0.00 0.51 0.90 -4.14 0.00 0.00 0.00 173.10 170.36 1ucx s PRO 69 N -2.28 4.32 0.21 2.90 0.02 -1.26 -4.20 135.00 134.70 1ucx s PRO 69 Ca 0.11 1.14 0.09 0.00 0.02 0.00 0.00 61.00 62.36 1ucx s PRO 69 Cb 0.00 -3.58 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 1ucx s PRO 69 CO -0.04 -0.36 -0.07 -1.14 -0.33 0.00 0.00 177.00 175.05 1ucx s GLN 70 N 2.25 2.11 -0.23 5.54 0.74 -0.83 -2.49 119.66 126.75 1ucx s GLN 70 Ca 0.41 -1.33 -0.03 0.00 0.05 0.00 0.00 55.36 54.45 1ucx s GLN 70 Cb -0.17 -2.14 0.10 0.00 1.10 0.00 0.00 33.01 31.90 1ucx s GLN 70 CO 0.13 0.41 0.20 -2.00 -0.55 0.00 0.00 175.29 173.48 1ucx s GLU 71 N -3.10 0.20 -0.19 1.67 2.12 -1.13 -1.95 118.70 116.32 1ucx s GLU 71 Ca 0.27 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.49 1ucx s GLU 71 Cb -0.08 -1.20 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 1ucx s GLU 71 CO 0.17 -0.78 0.14 0.42 -0.54 0.00 0.00 175.26 174.67 1ucx s ILE 72 N 2.27 5.41 -0.18 -3.70 1.01 -0.55 -2.85 121.20 122.62 1ucx s ILE 72 Ca 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1ucx s ILE 72 Cb -0.15 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1ucx s ILE 72 CO -0.19 0.45 -0.09 -0.47 0.00 0.00 0.00 174.94 174.65 1ucx s TYR 73 N 0.25 2.90 -0.38 3.97 5.04 -0.03 -0.69 117.35 128.41 1ucx s TYR 73 Ca 0.09 -0.81 -0.25 0.00 -2.44 0.00 0.00 57.07 53.66 1ucx s TYR 73 Cb -0.11 -1.98 0.02 0.00 0.35 0.00 0.00 41.96 40.23 1ucx s TYR 73 CO -0.01 -0.39 0.90 0.42 -1.34 0.00 0.00 175.55 175.13 1ucx s ILE 74 N 0.94 4.60 0.00 3.14 1.09 0.55 -0.60 121.20 130.93 1ucx s ILE 74 Ca -0.01 1.08 -0.24 0.00 -1.10 0.00 0.00 60.65 60.38 1ucx s ILE 74 Cb -0.15 -4.32 -0.14 0.00 -1.06 0.00 0.00 42.46 36.79 1ucx s ILE 74 CO -0.00 -0.55 1.06 -0.61 -0.10 0.00 0.00 174.94 174.74 1ucx h GLN 75 N 8.54 -0.65 -3.81 2.79 4.15 -0.68 -0.67 115.11 124.80 1ucx h GLN 75 Ca -0.24 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.10 1ucx h GLN 75 Cb 1.08 0.15 -0.18 0.00 0.21 0.00 0.00 27.48 28.74 1ucx h GLN 75 CO 0.97 -0.35 -0.52 1.14 -1.93 0.00 0.00 178.83 178.14 1ucx s GLN 76 N -4.39 0.59 0.00 1.69 -2.07 -0.94 -4.17 119.66 110.36 1ucx s GLN 76 Ca -0.13 -0.76 0.00 0.00 -1.82 0.00 0.00 55.36 52.65 1ucx s GLN 76 Cb 0.02 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1ucx s GLN 76 CO 0.44 -0.15 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 1ucx n GLY 77 N 0.76 1.07 3.19 2.60 0.00 -1.26 -1.67 105.19 109.88 1ucx n GLY 77 Ca -0.19 -2.12 -0.19 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.45 0.87 0.00 1.61 1.02 -1.26 -0.69 119.74 119.84 1ucx s LYS 78 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1ucx s LYS 78 Cb 0.00 -0.93 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 1ucx s LYS 78 CO 0.00 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1ucx n GLY 79 N 1.26 0.68 3.23 -3.33 0.00 -0.84 -4.43 105.19 101.76 1ucx n GLY 79 Ca -0.21 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.12 0.87 0.01 -0.61 -4.36 -0.88 -1.05 121.20 113.05 1ucx s ILE 80 Ca 0.00 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.25 1ucx s ILE 80 Cb 0.00 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1ucx s ILE 80 CO 0.00 -0.64 0.30 0.72 0.24 0.00 0.00 174.94 175.55 1ucx s PHE 81 N -3.52 -0.14 0.06 1.37 -0.71 0.07 -1.28 117.98 113.83 1ucx s PHE 81 Ca 0.19 0.13 0.09 0.00 -1.04 0.00 0.00 56.93 56.30 1ucx s PHE 81 Cb 0.05 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1ucx s PHE 81 CO 0.01 -0.42 -0.23 0.20 -1.34 0.00 0.00 175.22 173.44 1ucx s GLY 82 N -1.60 1.51 -0.25 1.99 0.00 -0.57 -1.89 107.32 106.52 1ucx s GLY 82 Ca -0.11 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1ucx s GLY 82 CO 0.01 -1.19 -0.09 1.06 0.00 0.00 0.00 173.10 172.90 1ucx s MET 83 N -1.50 2.01 -1.15 2.90 -1.94 -1.26 -1.68 119.30 116.68 1ucx s MET 83 Ca 0.14 -1.20 -0.16 0.00 -1.71 0.00 0.00 55.69 52.76 1ucx s MET 83 Cb -0.10 -2.76 0.14 0.00 2.01 0.00 0.00 34.83 34.11 1ucx s MET 83 CO 0.04 -0.57 1.41 0.42 -0.01 0.00 0.00 175.02 176.31 1ucx s ILE 84 N 1.22 4.76 -0.07 2.53 1.01 0.11 -4.88 121.20 125.89 1ucx s ILE 84 Ca -0.08 -2.18 -0.30 0.00 0.00 0.00 0.00 60.65 58.09 1ucx s ILE 84 Cb -0.19 -4.93 -0.02 0.00 0.01 0.00 0.00 42.46 37.32 1ucx s ILE 84 CO -0.06 -1.68 1.05 -0.47 0.00 0.00 0.00 174.94 173.79 1ucx s TYR 85 N 2.42 3.48 0.00 3.97 6.14 -1.26 -4.01 117.35 128.09 1ucx s TYR 85 Ca 0.42 1.53 0.00 0.00 0.64 0.00 0.00 57.07 59.66 1ucx s TYR 85 Cb -0.02 -3.23 0.00 0.00 0.42 0.00 0.00 41.96 39.13 1ucx s TYR 85 CO -0.01 -0.44 0.64 -2.30 0.64 0.00 0.00 175.55 174.07 1ucx n PRO 86 N 4.78 0.00 0.30 4.97 -0.02 -1.26 -2.54 135.00 141.22 1ucx n PRO 86 Ca 0.09 0.64 0.19 0.00 -2.02 0.00 0.00 63.50 62.39 1ucx n PRO 86 Cb 0.49 -1.00 0.85 0.00 -0.02 0.00 0.00 33.50 33.82 1ucx n PRO 86 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ucx h GLY 87 N 0.00 0.00 -2.86 -1.23 0.00 -2.02 -3.47 103.07 93.49 1ucx h GLY 87 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1ucx h GLY 87 CO 0.00 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.09 1ucx s PRO 89 N -2.70 4.59 -0.11 0.00 0.05 -1.26 -4.96 135.00 130.61 1ucx s PRO 89 Ca 0.65 1.22 -0.23 0.00 0.05 0.00 0.00 61.00 62.70 1ucx s PRO 89 Cb -0.35 -3.13 -0.03 0.00 0.05 0.00 0.00 34.50 31.04 1ucx s PRO 89 CO 0.42 0.48 0.68 -1.12 0.05 0.00 0.00 177.00 177.52 1ucx s SER 90 N -1.31 6.90 0.00 6.66 0.01 -1.26 -4.52 113.70 120.18 1ucx s SER 90 Ca 0.41 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1ucx s SER 90 Cb -0.22 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1ucx s SER 90 CO 0.26 -0.17 0.00 0.35 0.41 0.00 0.00 173.24 174.09 1ucx n THR 91 N 4.06 0.00 0.00 1.44 -2.24 -1.26 -4.70 114.28 111.58 1ucx n THR 91 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ucx n THR 91 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.00 -0.78 5.12 -1.26 -4.82 116.66 114.92 1ucx n ARG 110 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ucx n ARG 110 Cb 0.00 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 1ucx n ARG 110 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1ucx n HIS 111 N 0.00 0.00 -0.96 -1.55 1.44 -1.26 -5.18 115.22 107.72 1ucx n HIS 111 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1ucx n HIS 111 Cb 0.00 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.26 1ucx n HIS 111 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1ucx s GLN 112 N -2.00 1.08 0.13 -1.40 -0.21 -1.26 -4.59 119.66 111.42 1ucx s GLN 112 Ca 0.00 1.14 -0.33 0.00 0.02 0.00 0.00 55.36 56.20 1ucx s GLN 112 Cb 0.00 -1.76 -0.12 0.00 1.00 0.00 0.00 33.01 32.12 1ucx s GLN 112 CO 0.00 -2.45 1.74 1.17 -2.12 0.00 0.00 175.29 173.63 1ucx n LYS 113 N -4.07 2.54 -3.68 2.91 4.81 -1.26 -4.72 118.16 114.69 1ucx n LYS 113 Ca 0.08 0.92 -0.29 0.00 -0.87 0.00 0.00 58.31 58.15 1ucx n LYS 113 Cb 0.54 -2.76 -0.04 0.00 0.02 0.00 0.00 35.03 32.79 1ucx n LYS 113 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ucx s ILE 114 N 1.96 5.19 0.06 3.15 1.01 -1.26 -4.57 121.20 126.74 1ucx s ILE 114 Ca 0.80 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.35 1ucx s ILE 114 Cb -0.57 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1ucx s ILE 114 CO 0.38 -0.07 -0.23 -0.31 0.00 0.00 0.00 174.94 174.70 1ucx s TYR 115 N -1.77 2.02 0.00 3.97 1.51 -0.79 -5.02 117.35 117.28 1ucx s TYR 115 Ca 0.39 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 56.01 1ucx s TYR 115 Cb -0.12 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 1ucx s TYR 115 CO 0.27 0.15 0.24 -0.80 -1.11 0.00 0.00 175.55 174.30 1ucx s ASN 116 N -1.41 6.46 0.13 2.29 -0.87 -1.26 -0.75 114.94 119.53 1ucx s ASN 116 Ca 0.09 0.50 0.11 0.00 -1.57 0.00 0.00 52.86 51.99 1ucx s ASN 116 Cb -0.09 -2.07 -0.04 0.00 -0.02 0.00 0.00 41.25 39.03 1ucx s ASN 116 CO 0.03 0.26 -0.26 0.72 -2.57 0.00 0.00 177.10 175.27 1ucx s PHE 117 N -1.30 2.32 0.10 2.20 -0.12 -0.22 -4.93 117.98 116.03 1ucx s PHE 117 Ca 0.27 -0.37 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1ucx s PHE 117 Cb -0.13 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.97 1ucx s PHE 117 CO 0.16 0.35 -0.09 -0.98 -0.05 0.00 0.00 175.22 174.62 1ucx s ARG 118 N -2.10 0.84 0.69 1.99 1.04 -1.26 -1.98 118.95 118.17 1ucx s ARG 118 Ca 0.15 -1.22 -0.17 0.00 -1.04 0.00 0.00 55.73 53.45 1ucx s ARG 118 Cb -0.10 -0.41 -0.04 0.00 -2.04 0.00 0.00 34.95 32.36 1ucx s ARG 118 CO 0.06 0.04 0.62 -0.85 -0.04 0.00 0.00 175.30 175.13 1ucx n GLU 119 N 0.33 0.40 -0.80 3.89 0.28 0.13 -2.57 120.64 122.31 1ucx n GLU 119 Ca -0.14 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1ucx n GLU 119 Cb 0.59 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1ucx n GLU 119 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ucx n GLY 120 N 1.57 0.76 3.91 -1.84 0.00 -0.26 -4.83 105.19 104.50 1ucx n GLY 120 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1ucx n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ucx s ASP 121 N -2.53 6.30 -0.11 1.61 1.01 -1.06 0.12 116.67 122.00 1ucx s ASP 121 Ca 0.00 0.89 -0.00 0.00 0.71 0.00 0.00 52.55 54.15 1ucx s ASP 121 Cb 0.00 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.72 1ucx s ASP 121 CO 0.00 -0.52 -0.07 -0.22 0.21 0.00 0.00 175.17 174.57 1ucx s LEU 122 N -4.57 1.14 -0.10 1.23 2.96 0.13 -0.33 118.68 119.14 1ucx s LEU 122 Ca 0.47 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1ucx s LEU 122 Cb -0.10 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 1ucx s LEU 122 CO 0.42 -0.12 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.69 1ucx s ILE 123 N 1.71 4.21 -0.21 6.68 1.01 0.13 -1.36 121.20 133.38 1ucx s ILE 123 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1ucx s ILE 123 Cb -0.13 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1ucx s ILE 123 CO -0.08 0.58 -0.02 0.00 0.00 0.00 0.00 174.94 175.42 1ucx s ALA 124 N -0.60 2.93 -0.39 9.38 0.00 -0.78 -1.48 121.76 130.82 1ucx s ALA 124 Ca 0.10 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1ucx s ALA 124 Cb -0.12 -1.73 0.11 0.00 0.00 0.00 0.00 23.12 21.38 1ucx s ALA 124 CO 0.02 -0.26 0.12 0.08 0.00 0.00 0.00 175.76 175.73 1ucx s VAL 125 N 1.19 2.49 0.55 0.00 1.01 -0.82 -4.89 120.40 119.93 1ucx s VAL 125 Ca 0.03 -2.55 -0.18 0.00 0.00 0.00 0.00 61.98 59.28 1ucx s VAL 125 Cb -0.14 -2.79 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 1ucx s VAL 125 CO 0.00 -0.66 0.34 -2.65 0.00 0.00 0.00 175.10 172.13 1ucx n PRO 126 N 4.02 0.36 -1.68 2.72 -0.02 -1.26 -1.96 135.00 137.18 1ucx n PRO 126 Ca 0.04 0.14 -0.47 0.00 -2.02 0.00 0.00 63.50 61.19 1ucx n PRO 126 Cb 0.40 -1.49 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.62 0.37 0.00 3.45 -1.04 -1.26 -2.00 114.28 112.18 1ucx n THR 127 Ca 0.11 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ucx n THR 127 Cb 0.47 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 4.05 2.79 3.65 3.41 0.00 -0.48 -4.95 105.19 113.65 1ucx n GLY 128 Ca 0.20 -0.31 -0.50 0.00 0.00 0.00 0.00 46.02 45.41 1ucx n GLY 128 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ucx n VAL 129 N 0.00 0.15 -3.01 1.61 0.31 -0.85 -4.54 118.33 112.01 1ucx n VAL 129 Ca 0.00 -0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 1ucx n VAL 129 Cb 0.00 -1.30 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 1ucx n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ucx s ALA 130 N 1.76 3.27 -0.09 3.52 0.00 -1.26 -4.62 121.76 124.35 1ucx s ALA 130 Ca 0.86 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 1ucx s ALA 130 Cb -0.84 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1ucx s ALA 130 CO 0.48 0.27 0.36 1.67 0.00 0.00 0.00 175.76 178.53 1ucx s TRP 131 N -1.84 -0.32 0.27 0.00 1.48 -0.95 0.09 118.94 117.67 1ucx s TRP 131 Ca 0.52 0.70 0.11 0.00 -1.06 0.00 0.00 56.10 56.37 1ucx s TRP 131 Cb -0.13 0.13 -0.05 0.00 -1.16 0.00 0.00 33.47 32.26 1ucx s TRP 131 CO 0.18 -0.29 -0.11 1.67 -4.06 0.00 0.00 176.95 174.35 1ucx s TRP 132 N -0.46 2.47 -0.08 1.66 1.48 -0.68 -3.04 118.94 120.29 1ucx s TRP 132 Ca -0.06 -0.28 -0.03 0.00 -1.06 0.00 0.00 56.10 54.66 1ucx s TRP 132 Cb -0.04 -1.09 0.05 0.00 -1.16 0.00 0.00 33.47 31.23 1ucx s TRP 132 CO 0.02 0.67 0.17 1.41 -4.06 0.00 0.00 176.95 175.17 1ucx s MET 133 N -3.59 0.07 0.13 3.25 1.75 -1.08 -1.52 119.30 118.31 1ucx s MET 133 Ca 0.31 0.52 0.06 0.00 -1.25 0.00 0.00 55.69 55.33 1ucx s MET 133 Cb -0.06 -0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.36 1ucx s MET 133 CO 0.17 -0.25 -0.03 -0.47 -0.65 0.00 0.00 175.02 173.79 1ucx s TYR 134 N 1.91 2.87 -0.09 4.11 5.04 -0.41 -0.02 117.35 130.76 1ucx s TYR 134 Ca -0.01 -0.10 -0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1ucx s TYR 134 Cb -0.12 -1.45 0.02 0.00 0.35 0.00 0.00 41.96 40.77 1ucx s TYR 134 CO -0.06 0.48 -0.06 1.21 -1.34 0.00 0.00 175.55 175.78 1ucx s ASN 135 N -2.53 1.90 -0.01 4.32 2.47 -0.35 -2.08 114.94 118.67 1ucx s ASN 135 Ca 0.25 -0.23 0.11 0.00 0.42 0.00 0.00 52.86 53.41 1ucx s ASN 135 Cb -0.11 -0.71 -0.16 0.00 -1.45 0.00 0.00 41.25 38.82 1ucx s ASN 135 CO 0.17 -0.12 0.30 -3.20 -3.72 0.00 0.00 177.10 170.53 1ucx n ASN 136 N 4.83 1.98 -4.81 -4.21 5.15 -1.26 0.23 115.26 117.17 1ucx n ASN 136 Ca -0.13 -0.17 -0.30 0.00 -0.60 0.00 0.00 54.58 53.38 1ucx n ASN 136 Cb 0.50 1.40 0.09 0.00 -0.53 0.00 0.00 39.78 41.24 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 -2.61 2.18 0.37 1.20 0.41 -1.26 -4.41 118.70 114.58 1ucx s GLU 137 Ca -0.02 0.67 0.07 0.00 -0.41 0.00 0.00 54.97 55.28 1ucx s GLU 137 Cb 0.07 -1.93 0.73 0.00 -1.78 0.00 0.00 34.13 31.23 1ucx s GLU 137 CO 0.46 -1.56 1.92 -0.44 -0.49 0.00 0.00 175.26 175.15 1ucx h ASP 138 N -1.05 0.36 -2.11 -0.19 3.32 -1.96 -3.34 116.42 111.44 1ucx h ASP 138 Ca -0.47 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 55.95 1ucx h ASP 138 Cb 1.26 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ucx h ASP 138 CO 0.59 0.44 1.42 -0.89 -1.72 0.00 0.00 179.24 179.08 1ucx s THR 139 N -4.92 3.03 -0.23 0.35 2.01 -1.26 -4.14 115.64 110.48 1ucx s THR 139 Ca -0.07 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 1ucx s THR 139 Cb 0.16 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1ucx s THR 139 CO 0.74 -0.02 1.50 -2.16 -0.69 0.00 0.00 174.62 174.00 1ucx s PRO 140 N 5.85 3.89 0.13 4.92 0.04 -1.26 -4.64 135.00 143.94 1ucx s PRO 140 Ca 0.97 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 63.28 1ucx s PRO 140 Cb -0.35 -3.97 -0.09 0.00 0.04 0.00 0.00 34.50 30.13 1ucx s PRO 140 CO 0.37 -1.16 1.58 0.08 0.04 0.00 0.00 177.00 177.90 1ucx s VAL 141 N 4.74 2.80 -0.16 -0.36 1.01 0.49 -4.57 120.40 124.35 1ucx s VAL 141 Ca 0.66 0.50 -0.00 0.00 0.00 0.00 0.00 61.98 63.13 1ucx s VAL 141 Cb -0.23 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1ucx s VAL 141 CO 0.26 0.03 -0.07 -0.69 0.00 0.00 0.00 175.10 174.63 1ucx s VAL 142 N 1.57 1.20 -0.02 2.92 1.01 -0.67 -0.56 120.40 125.85 1ucx s VAL 142 Ca 0.71 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1ucx s VAL 142 Cb -0.42 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1ucx s VAL 142 CO 0.31 0.20 -0.19 0.00 0.00 0.00 0.00 175.10 175.43 1ucx s ALA 143 N 1.60 1.58 -0.09 5.51 0.00 -1.18 0.07 121.76 129.26 1ucx s ALA 143 Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1ucx s ALA 143 Cb -0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1ucx s ALA 143 CO -0.08 0.36 -0.12 0.54 0.00 0.00 0.00 175.76 176.46 1ucx s VAL 144 N -0.30 3.22 0.02 0.00 0.11 0.24 -2.95 120.40 120.73 1ucx s VAL 144 Ca 0.04 -0.64 -0.10 0.00 -2.93 0.00 0.00 61.98 58.35 1ucx s VAL 144 Cb -0.09 -2.31 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 1ucx s VAL 144 CO 0.00 0.56 0.20 -0.94 -3.33 0.00 0.00 175.10 171.59 1ucx s SER 145 N -0.31 -0.01 0.20 3.54 1.04 -0.67 -0.85 113.70 116.64 1ucx s SER 145 Ca 0.03 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.29 1ucx s SER 145 Cb -0.13 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1ucx s SER 145 CO 0.03 -0.48 0.04 0.27 0.98 0.00 0.00 173.24 174.08 1ucx s ILE 146 N -2.00 3.87 -0.13 -1.02 -4.36 -1.13 -2.19 121.20 114.24 1ucx s ILE 146 Ca -0.09 -1.46 -0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1ucx s ILE 146 Cb -0.04 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.70 1ucx s ILE 146 CO -0.01 -0.19 -0.10 -0.63 0.24 0.00 0.00 174.94 174.26 1ucx s ILE 147 N -1.89 1.23 -1.06 8.37 1.01 -0.87 -2.85 121.20 125.14 1ucx s ILE 147 Ca 0.29 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 1ucx s ILE 147 Cb -0.09 -1.22 0.13 0.00 0.01 0.00 0.00 42.46 41.30 1ucx s ILE 147 CO 0.20 0.39 1.32 -0.62 0.00 0.00 0.00 174.94 176.23 1ucx s ASP 148 N 1.62 6.77 0.00 3.58 2.15 -1.04 -1.82 116.67 127.94 1ucx s ASP 148 Ca 0.05 -2.30 0.10 0.00 0.43 0.00 0.00 52.55 50.83 1ucx s ASP 148 Cb -0.13 -2.44 0.55 0.00 -0.30 0.00 0.00 42.92 40.60 1ucx s ASP 148 CO -0.09 -1.03 1.15 0.35 -0.17 0.00 0.00 175.17 175.38 1ucx n THR 149 N 5.48 0.48 -0.72 1.71 -2.24 -1.01 -1.76 114.28 116.23 1ucx n THR 149 Ca 0.31 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 62.29 1ucx n THR 149 Cb 0.47 -0.96 0.29 0.00 -2.10 0.00 0.00 70.33 68.04 1ucx n THR 149 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ucx n ASN 150 N -1.18 4.24 -4.70 3.42 5.15 -1.06 -4.55 115.26 116.59 1ucx n ASN 150 Ca 0.06 -2.65 -0.29 0.00 -0.60 0.00 0.00 54.58 51.10 1ucx n ASN 150 Cb 0.06 -0.52 0.16 0.00 -0.53 0.00 0.00 39.78 38.96 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 -1.29 2.97 0.14 1.20 0.15 -0.72 -4.95 113.70 111.20 1ucx s SER 151 Ca 0.43 1.27 0.24 0.00 0.70 0.00 0.00 55.95 58.60 1ucx s SER 151 Cb 0.31 -1.94 0.34 0.00 -1.71 0.00 0.00 66.02 63.02 1ucx s SER 151 CO 0.16 -2.92 1.33 0.25 1.20 0.00 0.00 173.24 173.26 1ucx h LEU 152 N -1.75 0.00 -0.07 3.45 5.85 -1.95 -3.26 115.31 117.57 1ucx h LEU 152 Ca -0.53 -0.17 -0.22 0.00 0.84 0.00 0.00 57.88 57.80 1ucx h LEU 152 Cb 1.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1ucx h LEU 152 CO 0.57 0.09 -1.02 -0.33 -0.34 0.00 0.00 178.44 177.41 1ucx h GLU 153 N 0.00 0.14 -5.79 1.25 4.39 -1.93 -3.41 114.58 109.22 1ucx h GLU 153 Ca 0.00 -0.20 -0.38 0.00 0.34 0.00 0.00 59.36 59.12 1ucx h GLU 153 Cb 0.78 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1ucx h GLU 153 CO 0.00 1.04 1.03 1.21 -1.16 0.00 0.00 179.01 181.13 1ucx s ASN 154 N -6.91 5.04 0.00 1.42 2.47 -1.23 -4.80 114.94 110.93 1ucx s ASN 154 Ca -0.02 -0.02 0.28 0.00 0.42 0.00 0.00 52.86 53.52 1ucx s ASN 154 Cb 0.09 -2.54 1.08 0.00 -1.45 0.00 0.00 41.25 38.43 1ucx s ASN 154 CO 0.84 -2.68 1.76 0.00 -3.72 0.00 0.00 177.10 173.30 1ucx n GLN 155 N 9.02 1.15 0.00 0.43 6.02 -1.26 -4.81 117.38 127.93 1ucx n GLN 155 Ca 0.32 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1ucx n GLN 155 Cb 0.50 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 -0.42 0.00 -4.44 1.08 4.77 -1.26 -5.10 117.00 111.64 1ucx n LEU 156 Ca 0.16 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 1ucx n LEU 156 Cb 0.31 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1ucx n LEU 156 CO 0.21 0.00 -0.22 1.51 -1.33 0.00 0.00 177.39 177.56 1ucx s ASP 157 N -1.00 2.23 0.00 -1.43 1.47 -1.26 -5.02 116.67 111.66 1ucx s ASP 157 Ca 0.00 -1.54 0.00 0.00 1.18 0.00 0.00 52.55 52.19 1ucx s ASP 157 Cb 0.00 0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.87 1ucx s ASP 157 CO 0.00 -0.82 0.00 0.00 0.68 0.00 0.00 175.17 175.03 1ucx n GLN 158 N -0.73 0.00 -3.51 2.11 10.64 -1.26 -4.75 117.38 119.87 1ucx n GLN 158 Ca -0.03 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.77 1ucx n GLN 158 Cb 0.65 -0.89 -0.07 0.00 -0.86 0.00 0.00 30.24 29.08 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 -0.81 4.16 0.05 2.61 -1.94 -1.26 -5.03 119.30 117.08 1ucx s MET 159 Ca 0.00 0.20 -0.31 0.00 -1.71 0.00 0.00 55.69 53.87 1ucx s MET 159 Cb 0.00 -3.38 -0.06 0.00 2.01 0.00 0.00 34.83 33.40 1ucx s MET 159 CO 0.00 0.34 1.31 -2.14 -0.01 0.00 0.00 175.02 174.51 1ucx s PRO 160 N 0.13 4.35 -0.25 2.03 0.02 -1.26 -5.01 135.00 135.02 1ucx s PRO 160 Ca 0.19 1.90 -0.06 0.00 0.02 0.00 0.00 61.00 63.05 1ucx s PRO 160 Cb -0.14 -3.39 0.12 0.00 0.02 0.00 0.00 34.50 31.12 1ucx s PRO 160 CO 0.07 -0.40 0.50 -0.98 -0.33 0.00 0.00 177.00 175.85 1ucx s ARG 161 N 1.48 0.43 -0.05 5.54 1.70 -1.26 -4.79 118.95 122.01 1ucx s ARG 161 Ca 0.62 1.08 -0.17 0.00 -0.47 0.00 0.00 55.73 56.79 1ucx s ARG 161 Cb -0.32 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 1ucx s ARG 161 CO 0.28 -0.34 0.46 0.50 -1.08 0.00 0.00 175.30 175.13 1ucx s ARG 162 N 2.72 4.17 -0.52 3.89 3.52 -1.26 -4.42 118.95 127.04 1ucx s ARG 162 Ca 0.02 0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.96 1ucx s ARG 162 Cb -0.13 -3.33 0.13 0.00 -1.56 0.00 0.00 34.95 30.06 1ucx s ARG 162 CO -0.16 0.42 0.44 -0.06 -0.81 0.00 0.00 175.30 175.13 1ucx s PHE 163 N -0.24 3.34 -0.01 5.12 0.40 -0.49 -4.87 117.98 121.24 1ucx s PHE 163 Ca 0.25 -1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 54.71 1ucx s PHE 163 Cb -0.16 -3.66 -0.03 0.00 0.51 0.00 0.00 43.02 39.67 1ucx s PHE 163 CO 0.13 -1.01 1.01 0.71 0.70 0.00 0.00 175.22 176.76 1ucx s TYR 164 N 1.45 3.61 -0.18 0.36 2.02 -1.26 -2.40 117.35 120.95 1ucx s TYR 164 Ca 0.05 1.64 0.29 0.00 -0.37 0.00 0.00 57.07 58.68 1ucx s TYR 164 Cb -0.28 -3.16 0.98 0.00 -0.40 0.00 0.00 41.96 39.10 1ucx s TYR 164 CO 0.01 -0.18 1.83 1.25 -1.57 0.00 0.00 175.55 176.89 1ucx h LEU 165 N 6.96 0.00 -7.32 -1.29 5.85 -1.60 -0.95 115.31 116.96 1ucx h LEU 165 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1ucx h LEU 165 Cb 1.21 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 1ucx h LEU 165 CO 0.77 0.00 0.15 0.00 -0.34 0.00 0.00 178.44 179.02 1ucx s ALA 166 N -3.45 -1.35 0.00 1.25 0.00 -1.26 -4.27 121.76 112.67 1ucx s ALA 166 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1ucx s ALA 166 Cb 0.08 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1ucx s ALA 166 CO 0.57 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1ucx n GLY 167 N -0.37 -1.27 3.31 0.00 0.00 -1.26 -4.72 105.19 100.88 1ucx n GLY 167 Ca -0.14 -1.40 -0.46 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.88 6.54 -0.09 1.61 0.01 -1.26 -2.70 114.94 117.18 1ucx s ASN 168 Ca 0.00 -2.55 -0.24 0.00 -0.71 0.00 0.00 52.86 49.36 1ucx s ASN 168 Cb 0.00 -2.18 0.06 0.00 0.41 0.00 0.00 41.25 39.53 1ucx s ASN 168 CO 0.00 -0.61 0.57 0.00 -1.51 0.00 0.00 177.10 175.55 1ucx s GLN 169 N 0.40 0.87 -0.11 -0.60 0.00 -1.26 -4.86 119.66 114.09 1ucx s GLN 169 Ca 0.15 0.30 -0.28 0.00 -0.00 0.00 0.00 55.36 55.53 1ucx s GLN 169 Cb -0.14 0.41 -0.02 0.00 0.00 0.00 0.00 33.01 33.26 1ucx s GLN 169 CO -0.06 -0.23 0.93 -1.83 0.00 0.00 0.00 175.29 174.10 1ucx s GLU 170 N -0.82 4.40 0.17 9.60 -1.05 -1.26 -3.17 118.70 126.56 1ucx s GLU 170 Ca -0.09 1.24 -0.33 0.00 -0.15 0.00 0.00 54.97 55.65 1ucx s GLU 170 Cb -0.02 -3.54 -0.16 0.00 -0.44 0.00 0.00 34.13 29.97 1ucx s GLU 170 CO 0.06 -0.27 1.14 0.94 0.95 0.00 0.00 175.26 178.08 1ucx n GLN 171 N 4.91 1.11 -0.31 -4.83 7.27 -1.26 -4.92 117.38 119.35 1ucx n GLN 171 Ca 0.07 0.40 0.04 0.00 0.07 0.00 0.00 57.00 57.57 1ucx n GLN 171 Cb 0.49 -1.88 0.10 0.00 2.41 0.00 0.00 30.24 31.36 1ucx n GLN 171 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1ucx n GLU 172 N 1.70 -0.11 0.00 3.69 4.71 -1.26 -1.69 120.64 127.69 1ucx n GLU 172 Ca 0.15 1.32 0.13 0.00 -0.01 0.00 0.00 57.16 58.76 1ucx n GLU 172 Cb 0.24 -1.97 0.51 0.00 -1.01 0.00 0.00 31.44 29.21 1ucx n GLU 172 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1ucx n PHE 173 N -5.35 0.00 -0.35 -0.32 3.72 -1.26 -4.21 117.46 109.68 1ucx n PHE 173 Ca 0.12 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.78 1ucx n PHE 173 Cb 0.40 -0.42 0.51 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 0.46 -1.14 4.37 7.12 -1.63 -0.05 115.31 124.43 1ucx h LEU 174 Ca 0.00 0.13 0.07 0.00 0.13 0.00 0.00 57.88 58.21 1ucx h LEU 174 Cb 0.50 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.64 1ucx h LEU 174 CO 0.00 -0.02 0.59 0.50 -0.13 0.00 0.00 178.44 179.38 1ucx h LYS 175 N 0.34 0.99 -0.02 1.25 3.11 -1.79 0.10 116.57 120.56 1ucx h LYS 175 Ca 0.69 -0.06 -0.22 0.00 -2.81 0.00 0.00 60.65 58.25 1ucx h LYS 175 Cb 1.73 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.74 1ucx h LYS 175 CO -0.43 0.66 -0.90 1.88 -2.81 0.00 0.00 179.45 177.85 1ucx h TYR 176 N 1.02 0.61 -0.40 1.91 0.05 -1.32 -2.99 116.97 115.85 1ucx h TYR 176 Ca 0.40 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1ucx h TYR 176 Cb 0.23 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1ucx h TYR 176 CO -0.00 1.13 0.18 0.37 -1.05 0.00 0.00 178.16 178.79 1ucx h GLN 177 N 0.25 0.59 0.00 4.88 4.15 -1.07 -3.51 115.11 120.40 1ucx h GLN 177 Ca -0.07 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1ucx h GLN 177 Cb 1.52 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1ucx h GLN 177 CO 0.16 0.54 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 1ucx n GLN 178 N -4.66 0.00 0.00 1.69 10.64 0.26 -5.11 117.38 120.19 1ucx n GLN 178 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ucx n GLN 178 Cb 0.13 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.51 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 4.22 0.80 0.00 2.61 0.00 -1.26 -5.08 105.19 106.48 1ucx n GLY 198 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 3.08 3.96 -0.02 0.00 -1.19 -4.76 105.19 106.25 1ucx n GLY 199 Ca 0.00 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 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 3.99 0.59 1.61 1.04 -1.10 -4.76 113.70 115.07 1ucx s SER 200 Ca 0.00 0.01 0.38 0.00 0.48 0.00 0.00 55.95 56.82 1ucx s SER 200 Cb 0.00 -0.32 1.86 0.00 0.10 0.00 0.00 66.02 67.66 1ucx s SER 200 CO 0.00 -2.12 2.15 0.16 0.98 0.00 0.00 173.24 174.40 1ucx h ILE 201 N -0.94 0.00 0.08 -1.02 3.07 -1.42 -2.83 117.51 114.45 1ucx h ILE 201 Ca -0.41 -0.24 -0.32 0.00 1.55 0.00 0.00 64.86 65.44 1ucx h ILE 201 Cb 1.26 1.20 -0.02 0.00 -0.27 0.00 0.00 36.82 38.99 1ucx h ILE 201 CO 0.43 0.00 -1.76 0.25 -1.05 0.00 0.00 178.15 176.02 1ucx h LEU 202 N 0.00 0.27 -0.95 0.16 5.85 -1.80 -3.38 115.31 115.46 1ucx h LEU 202 Ca 0.00 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 1ucx h LEU 202 Cb 0.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1ucx h LEU 202 CO 0.00 1.45 -0.25 0.77 -0.34 0.00 0.00 178.44 180.07 1ucx h SER 203 N 0.05 0.00 0.36 1.25 4.64 -1.74 -3.00 113.55 115.11 1ucx h SER 203 Ca -0.32 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1ucx h SER 203 Cb 2.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 1ucx h SER 203 CO 0.11 0.25 -0.25 1.23 -0.87 0.00 0.00 176.83 177.30 1ucx h GLY 204 N 2.29 0.00 -1.41 -0.77 0.00 -1.72 -3.45 103.07 98.01 1ucx h GLY 204 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1ucx h GLY 204 CO 0.03 0.00 0.29 -1.36 0.00 0.00 0.00 176.54 175.51 1ucx s PHE 205 N -4.26 2.05 0.65 5.60 0.08 -1.14 -5.04 117.98 115.93 1ucx s PHE 205 Ca -0.03 1.67 -0.14 0.00 0.12 0.00 0.00 56.93 58.55 1ucx s PHE 205 Cb 0.14 -3.27 -0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1ucx s PHE 205 CO 0.68 -2.40 1.08 0.99 -0.10 0.00 0.00 175.22 175.47 1ucx s THR 206 N -2.58 3.53 0.08 0.64 2.01 -1.26 -4.92 115.64 113.14 1ucx s THR 206 Ca 0.67 0.66 -0.21 0.00 0.31 0.00 0.00 61.69 63.12 1ucx s THR 206 Cb -0.22 -3.21 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 1ucx s THR 206 CO 0.54 -0.48 1.59 -0.07 -0.69 0.00 0.00 174.62 175.50 1ucx h LEU 207 N -0.05 0.21 -0.70 4.42 -0.00 -1.96 -1.72 115.31 115.52 1ucx h LEU 207 Ca -0.46 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.88 57.17 1ucx h LEU 207 Cb 1.23 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1ucx h LEU 207 CO 0.55 0.35 -0.23 1.05 -0.00 0.00 0.00 178.44 180.16 1ucx h GLU 208 N 0.06 0.00 -0.18 1.13 9.09 -1.98 0.21 114.58 122.90 1ucx h GLU 208 Ca 0.05 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.35 1ucx h GLU 208 Cb 0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1ucx h GLU 208 CO -0.00 0.23 -0.28 0.74 0.05 0.00 0.00 179.01 179.74 1ucx h PHE 209 N 0.00 0.64 -0.57 2.06 -1.00 -1.93 -1.52 116.94 114.63 1ucx h PHE 209 Ca -0.00 -0.22 -0.04 0.00 2.81 0.00 0.00 57.97 60.52 1ucx h PHE 209 Cb 0.92 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.33 1ucx h PHE 209 CO 0.00 0.93 0.20 -0.07 -1.61 0.00 0.00 178.31 177.76 1ucx h LEU 210 N 0.17 0.77 0.84 1.54 4.07 -1.07 0.20 115.31 121.83 1ucx h LEU 210 Ca 0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 1ucx h LEU 210 Cb 0.86 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.41 1ucx h LEU 210 CO 0.07 0.71 -0.40 -0.33 -1.08 0.00 0.00 178.44 177.40 1ucx h GLU 211 N 0.82 -1.08 -0.28 1.13 5.08 -0.47 -1.06 114.58 118.73 1ucx h GLU 211 Ca 0.19 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1ucx h GLU 211 Cb 0.20 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ucx h GLU 211 CO -0.01 -0.72 0.12 1.25 -1.00 0.00 0.00 179.01 178.65 1ucx h HIS 212 N -1.23 0.37 0.46 4.33 2.76 -1.30 0.11 115.15 120.65 1ucx h HIS 212 Ca -0.12 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.03 1ucx h HIS 212 Cb 0.86 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1ucx h HIS 212 CO 0.02 0.29 -0.22 0.00 -1.30 0.00 0.00 177.93 176.71 1ucx h ALA 213 N 1.76 -0.61 -0.00 5.26 0.00 -0.31 -3.26 119.26 122.10 1ucx h ALA 213 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ucx h ALA 213 Cb 0.06 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ucx h ALA 213 CO -0.01 -0.66 -0.08 1.19 0.00 0.00 0.00 179.25 179.69 1ucx n PHE 214 N -5.22 0.00 -3.08 0.00 3.72 -0.43 -4.93 117.46 107.52 1ucx n PHE 214 Ca -0.10 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.14 1ucx n PHE 214 Cb 0.30 -0.46 0.04 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.50 -4.94 -4.66 4.37 2.88 0.33 -5.03 113.62 105.06 1ucx n SER 215 Ca 0.07 -0.31 -0.24 0.00 -1.33 0.00 0.00 58.87 57.06 1ucx n SER 215 Cb 0.34 -3.64 0.01 0.00 -0.75 0.00 0.00 64.21 60.17 1ucx n SER 215 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ucx n VAL 216 N -4.20 0.00 -2.34 2.46 0.24 -0.90 -5.03 118.33 108.57 1ucx n VAL 216 Ca -0.03 -2.01 -0.30 0.00 -2.04 0.00 0.00 64.34 59.96 1ucx n VAL 216 Cb 0.56 -0.11 -0.01 0.00 -1.47 0.00 0.00 33.84 32.80 1ucx n VAL 216 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1ucx s ASP 217 N -4.06 6.39 0.26 -1.34 -4.77 -1.26 -4.80 116.67 107.09 1ucx s ASP 217 Ca 0.32 1.31 0.23 0.00 -3.30 0.00 0.00 52.55 51.11 1ucx s ASP 217 Cb -0.03 -2.41 0.99 0.00 -1.09 0.00 0.00 42.92 40.39 1ucx s ASP 217 CO 0.21 -0.65 1.70 1.17 0.70 0.00 0.00 175.17 178.29 1ucx n LYS 218 N -2.08 0.18 0.01 2.11 4.81 -1.26 -2.02 118.16 119.91 1ucx n LYS 218 Ca 0.04 0.45 -0.19 0.00 -0.87 0.00 0.00 58.31 57.74 1ucx n LYS 218 Cb 0.54 -1.87 -0.09 0.00 0.02 0.00 0.00 35.03 33.63 1ucx n LYS 218 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1ucx h GLN 219 N 0.00 0.75 0.00 1.64 4.15 -2.00 -2.82 115.11 116.83 1ucx h GLN 219 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 58.65 58.70 1ucx h GLN 219 Cb 0.32 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ucx h GLN 219 CO 0.00 1.30 -0.85 0.44 -1.93 0.00 0.00 178.83 177.79 1ucx n ILE 220 N -3.89 0.11 0.13 2.39 -5.35 -1.13 -3.33 119.36 108.30 1ucx n ILE 220 Ca -0.09 -0.15 -0.01 0.00 -0.27 0.00 0.00 62.75 62.23 1ucx n ILE 220 Cb 0.82 0.30 0.12 0.00 -1.74 0.00 0.00 39.64 39.15 1ucx n ILE 220 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ucx h ALA 221 N 2.73 0.80 0.00 -1.28 0.00 -1.43 -0.41 119.26 119.66 1ucx h ALA 221 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 1ucx h ALA 221 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ucx h ALA 221 CO 0.00 0.81 -0.54 -0.22 0.00 0.00 0.00 179.25 179.30 1ucx h LYS 222 N 0.00 0.00 -0.04 0.00 3.64 -1.59 -0.10 116.57 118.48 1ucx h LYS 222 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1ucx h LYS 222 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ucx h LYS 222 CO 0.08 0.36 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.59 1ucx h ASN 223 N 0.00 0.17 -0.48 4.20 4.21 -1.53 -1.94 115.58 120.21 1ucx h ASN 223 Ca -0.02 -0.63 0.10 0.00 1.21 0.00 0.00 56.30 56.96 1ucx h ASN 223 Cb 1.32 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 38.44 1ucx h ASN 223 CO 0.05 0.77 0.33 0.25 -1.29 0.00 0.00 177.43 177.55 1ucx h LEU 224 N -0.42 0.18 -3.05 1.61 5.85 -1.02 -2.35 115.31 116.11 1ucx h LEU 224 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1ucx h LEU 224 Cb 0.76 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1ucx h LEU 224 CO 0.03 0.11 0.08 1.67 -0.34 0.00 0.00 178.44 179.99 1ucx n GLN 225 N -4.45 1.16 0.00 1.25 7.27 -0.06 -4.56 117.38 118.00 1ucx n GLN 225 Ca 0.08 -0.32 0.00 0.00 0.07 0.00 0.00 57.00 56.83 1ucx n GLN 225 Cb 0.42 -1.12 0.00 0.00 2.41 0.00 0.00 30.24 31.94 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 1.22 1.51 3.33 1.69 0.00 -0.90 -4.54 105.19 107.50 1ucx n GLY 226 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1ucx n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ucx s GLU 227 N 0.00 3.38 -0.04 1.61 0.41 -0.73 -4.59 118.70 118.73 1ucx s GLU 227 Ca 0.00 -2.13 -0.03 0.00 -0.41 0.00 0.00 54.97 52.40 1ucx s GLU 227 Cb 0.00 -4.40 0.01 0.00 -1.78 0.00 0.00 34.13 27.96 1ucx s GLU 227 CO 0.00 -1.34 0.06 0.36 -0.49 0.00 0.00 175.26 173.85 1ucx n LYS 233 N 4.62 -1.71 0.00 1.61 2.85 -1.26 -4.55 118.16 119.71 1ucx n LYS 233 Ca 0.04 1.59 0.00 0.00 -1.05 0.00 0.00 58.31 58.89 1ucx n LYS 233 Cb 0.45 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.55 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 0.62 0.73 0.33 2.58 0.00 -1.26 -4.79 105.19 103.40 1ucx n GLY 234 Ca -0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.53 1.01 -3.22 4.61 0.00 -1.95 -3.40 119.26 114.78 1ucx h ALA 235 Ca 0.00 -0.23 -0.68 0.00 0.00 0.00 0.00 54.91 54.00 1ucx h ALA 235 Cb 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 17.79 17.22 1ucx h ALA 235 CO 0.00 0.66 -0.68 0.42 0.00 0.00 0.00 179.25 179.65 1ucx s ILE 236 N -5.35 3.39 -0.13 0.00 1.01 -1.26 -1.20 121.20 117.66 1ucx s ILE 236 Ca -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1ucx s ILE 236 Cb 0.15 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 1ucx s ILE 236 CO 0.84 0.04 -0.19 -0.69 0.00 0.00 0.00 174.94 174.94 1ucx s VAL 237 N 1.38 2.44 -0.18 2.92 1.01 -0.14 -1.30 120.40 126.52 1ucx s VAL 237 Ca -0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1ucx s VAL 237 Cb -0.18 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1ucx s VAL 237 CO -0.00 0.54 1.40 0.42 0.00 0.00 0.00 175.10 177.46 1ucx s THR 238 N 0.56 4.03 -0.53 3.92 -4.23 -1.26 -1.13 115.64 116.99 1ucx s THR 238 Ca -0.11 1.21 -0.28 0.00 -1.18 0.00 0.00 61.69 61.33 1ucx s THR 238 Cb -0.16 -3.88 -0.00 0.00 1.34 0.00 0.00 72.50 69.79 1ucx s THR 238 CO 0.04 -0.22 1.58 -0.69 -0.54 0.00 0.00 174.62 174.80 1ucx s VAL 239 N 4.06 3.64 0.16 2.29 1.01 -0.30 -4.94 120.40 126.32 1ucx s VAL 239 Ca 0.61 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 1ucx s VAL 239 Cb -0.23 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1ucx s VAL 239 CO 0.21 -0.97 1.64 0.50 0.00 0.00 0.00 175.10 176.48 1ucx h LYS 240 N 12.27 -0.14 0.10 2.72 3.11 -1.95 -1.80 116.57 130.88 1ucx h LYS 240 Ca -0.28 0.01 -0.28 0.00 -2.81 0.00 0.00 60.65 57.29 1ucx h LYS 240 Cb 1.12 0.03 0.02 0.00 -1.00 0.00 0.00 32.23 32.40 1ucx h LYS 240 CO 1.16 -0.10 -1.19 0.78 -2.81 0.00 0.00 179.45 177.30 1ucx h GLY 241 N -0.15 0.53 -0.11 5.01 0.00 -1.96 -3.50 103.07 102.88 1ucx h GLY 241 Ca 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1ucx h GLY 241 CO -0.42 0.99 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1ucx n GLY 242 N 1.33 -0.56 3.32 4.60 0.00 -0.68 -5.00 105.19 108.20 1ucx n GLY 242 Ca -0.11 -1.16 -0.55 0.00 0.00 0.00 0.00 46.02 44.21 1ucx n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ucx n LEU 243 N -0.16 -0.18 0.00 0.99 4.32 -1.26 -4.88 117.00 115.83 1ucx n LEU 243 Ca 0.00 1.10 0.11 0.00 -0.02 0.00 0.00 56.01 57.20 1ucx n LEU 243 Cb 0.00 -0.88 0.51 0.00 -1.62 0.00 0.00 43.42 41.43 1ucx n LEU 243 CO 0.00 -1.97 0.87 -0.24 -1.22 0.00 0.00 177.39 174.84 1ucx n SER 244 N 1.50 0.00 -4.68 -1.43 2.88 -1.26 -4.82 113.62 105.80 1ucx n SER 244 Ca 0.19 0.43 -0.42 0.00 -1.33 0.00 0.00 58.87 57.73 1ucx n SER 244 Cb 0.10 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1ucx n SER 244 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ucx s VAL 245 N -2.94 3.14 0.34 2.46 1.01 -1.26 -4.96 120.40 118.18 1ucx s VAL 245 Ca 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1ucx s VAL 245 Cb 0.15 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1ucx s VAL 245 CO 0.42 -0.01 0.10 0.00 0.00 0.00 0.00 175.10 175.61 1ucx n ILE 246 N 4.87 0.00 -3.29 2.22 0.13 -1.26 -5.06 119.36 116.97 1ucx n ILE 246 Ca 0.16 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.73 1ucx n ILE 246 Cb 0.41 -0.12 -0.05 0.00 -0.84 0.00 0.00 39.64 39.05 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 -1.69 0.69 0.00 9.51 2.36 -1.26 -5.04 119.74 124.30 1ucx s LYS 247 Ca 0.08 -0.48 0.00 0.00 -2.55 0.00 0.00 55.97 53.02 1ucx s LYS 247 Cb -0.01 -0.33 0.00 0.00 -1.05 0.00 0.00 37.83 36.44 1ucx s LYS 247 CO 0.07 -1.17 0.00 -2.30 1.55 0.00 0.00 175.35 173.49 1ucx n PRO 248 N 4.46 0.00 0.02 4.03 -0.02 -1.26 -5.16 135.00 137.07 1ucx n PRO 248 Ca 0.10 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.74 1ucx n PRO 248 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.25 1ucx n PRO 248 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1ucx h ILE 297 N 0.00 0.01 0.00 4.25 6.09 -2.05 -3.51 117.51 122.29 1ucx h ILE 297 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ucx h ILE 297 Cb 0.00 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.31 1ucx h ILE 297 CO 0.00 0.00 -0.40 0.00 -3.07 0.00 0.00 178.15 174.68 1ucx n THR 299 N -2.71 0.00 -1.72 0.00 -2.24 -1.26 -5.00 114.28 101.34 1ucx n THR 299 Ca 0.03 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 1ucx n THR 299 Cb 0.51 0.71 0.03 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.39 1.73 -2.26 -0.78 0.00 -1.26 -4.96 117.12 108.20 1ucx n MET 300 Ca 0.00 0.63 -0.43 0.00 0.00 0.00 0.00 57.70 57.90 1ucx n MET 300 Cb 0.11 -2.49 -0.02 0.00 0.00 0.00 0.00 33.22 30.81 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 -2.66 3.97 -0.46 2.12 3.52 -1.26 -4.93 118.95 119.25 1ucx s ARG 301 Ca 0.68 1.60 0.03 0.00 -0.13 0.00 0.00 55.73 57.91 1ucx s ARG 301 Cb -0.44 -3.93 0.46 0.00 -1.56 0.00 0.00 34.95 29.48 1ucx s ARG 301 CO 0.52 -1.07 1.59 1.47 -0.81 0.00 0.00 175.30 177.00 1ucx n LEU 302 N 7.67 6.14 -3.72 -0.88 -0.00 -1.26 -4.52 117.00 120.43 1ucx n LEU 302 Ca 0.16 -4.49 -0.12 0.00 -0.00 0.00 0.00 56.01 51.56 1ucx n LEU 302 Cb 0.45 -0.64 -0.10 0.00 -0.00 0.00 0.00 43.42 43.13 1ucx n LEU 302 CO 0.62 1.77 0.07 -0.60 -0.00 0.00 0.00 177.39 179.26 1ucx s ARG 303 N -3.68 0.45 -0.15 1.47 3.52 -1.26 -1.86 118.95 117.44 1ucx s ARG 303 Ca 0.57 0.64 -0.16 0.00 -0.13 0.00 0.00 55.73 56.64 1ucx s ARG 303 Cb 0.45 0.15 0.04 0.00 -1.56 0.00 0.00 34.95 34.04 1ucx s ARG 303 CO 0.02 -0.09 0.45 -1.58 -0.81 0.00 0.00 175.30 173.29 1ucx s HIS 304 N 0.60 -0.47 -0.37 5.12 2.46 -0.46 -4.98 115.29 117.18 1ucx s HIS 304 Ca -0.03 1.12 -0.12 0.00 0.47 0.00 0.00 55.06 56.49 1ucx s HIS 304 Cb -0.05 0.17 0.01 0.00 -0.13 0.00 0.00 32.58 32.59 1ucx s HIS 304 CO -0.04 -0.27 0.23 1.21 -2.47 0.00 0.00 174.74 173.40 1ucx s ASN 305 N 0.01 5.87 -0.16 9.88 3.84 -1.26 0.17 114.94 133.29 1ucx s ASN 305 Ca -0.02 -0.80 0.16 0.00 0.21 0.00 0.00 52.86 52.41 1ucx s ASN 305 Cb -0.03 -2.08 0.55 0.00 -0.55 0.00 0.00 41.25 39.14 1ucx s ASN 305 CO 0.01 -0.35 1.45 2.30 -2.79 0.00 0.00 177.10 177.72 1ucx n ILE 306 N 5.06 2.17 -0.54 -5.21 -5.35 0.12 -4.64 119.36 110.97 1ucx n ILE 306 Ca -0.12 -1.69 0.00 0.00 -0.27 0.00 0.00 62.75 60.67 1ucx n ILE 306 Cb 0.47 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.17 -1.44 0.28 3.28 0.00 -0.60 -4.47 105.19 102.07 1ucx n GLY 307 Ca 0.21 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.81 1ucx n GLY 307 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ucx h GLN 308 N 0.00 0.00 -0.28 1.61 4.20 -1.95 -2.99 115.11 115.70 1ucx h GLN 308 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1ucx h GLN 308 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ucx h GLN 308 CO 0.00 0.06 0.10 1.15 -0.67 0.00 0.00 178.83 179.48 1ucx h THR 309 N 0.00 1.12 -4.27 -0.54 2.02 -1.95 -3.45 112.91 105.84 1ucx h THR 309 Ca -0.00 -0.38 -0.52 0.00 0.77 0.00 0.00 66.41 66.28 1ucx h THR 309 Cb 0.36 0.79 0.19 0.00 -1.74 0.00 0.00 68.15 67.76 1ucx h THR 309 CO 0.01 0.14 0.24 -0.55 0.37 0.00 0.00 175.52 175.73 1ucx s SER 310 N -6.79 3.06 -0.23 4.18 0.15 -1.13 -4.99 113.70 107.94 1ucx s SER 310 Ca -0.07 2.18 -0.26 0.00 0.70 0.00 0.00 55.95 58.50 1ucx s SER 310 Cb 0.17 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1ucx s SER 310 CO 0.73 -3.01 0.89 -0.94 1.20 0.00 0.00 173.24 172.10 1ucx s SER 311 N -2.69 6.92 0.74 5.45 1.04 -1.26 -5.02 113.70 118.88 1ucx s SER 311 Ca 0.67 1.14 -0.11 0.00 0.48 0.00 0.00 55.95 58.13 1ucx s SER 311 Cb -0.23 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 63.46 1ucx s SER 311 CO 0.57 -0.55 1.08 -2.16 0.98 0.00 0.00 173.24 173.16 1ucx s PRO 312 N 2.89 2.53 -0.12 4.02 0.04 -1.26 -4.94 135.00 138.17 1ucx s PRO 312 Ca 0.38 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 1ucx s PRO 312 Cb -0.15 -1.93 -0.27 0.00 0.04 0.00 0.00 34.50 32.18 1ucx s PRO 312 CO 0.07 -1.42 0.79 -0.44 0.04 0.00 0.00 177.00 176.04 1ucx h ASP 313 N -0.93 0.11 -3.74 6.66 5.19 -1.00 -3.45 116.42 119.26 1ucx h ASP 313 Ca -0.44 -0.99 -0.68 0.00 -0.62 0.00 0.00 57.03 54.31 1ucx h ASP 313 Cb 1.22 -0.03 -0.23 0.00 0.18 0.00 0.00 39.33 40.47 1ucx h ASP 313 CO 0.53 1.09 -0.74 -0.63 -3.12 0.00 0.00 179.24 176.38 1ucx s ILE 314 N -2.27 3.31 -0.20 0.35 1.09 -0.52 -4.95 121.20 118.00 1ucx s ILE 314 Ca -0.18 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 58.72 1ucx s ILE 314 Cb -0.02 -2.34 0.09 0.00 -1.06 0.00 0.00 42.46 39.13 1ucx s ILE 314 CO 0.72 0.57 0.23 -0.47 -0.10 0.00 0.00 174.94 175.89 1ucx s TYR 315 N -0.47 -0.30 -0.21 3.97 5.04 -1.26 -1.23 117.35 122.89 1ucx s TYR 315 Ca 0.06 0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 1ucx s TYR 315 Cb -0.12 -0.34 0.01 0.00 0.35 0.00 0.00 41.96 41.87 1ucx s TYR 315 CO 0.02 -0.59 -0.11 1.21 -1.34 0.00 0.00 175.55 174.74 1ucx s ASN 316 N 2.34 3.88 0.38 4.32 3.84 0.15 -4.98 114.94 124.86 1ucx s ASN 316 Ca 0.07 -0.65 0.28 0.00 0.21 0.00 0.00 52.86 52.77 1ucx s ASN 316 Cb -0.16 -1.62 1.25 0.00 -0.55 0.00 0.00 41.25 40.18 1ucx s ASN 316 CO -0.12 -0.05 1.84 1.55 -2.79 0.00 0.00 177.10 177.53 1ucx h PRO 317 N 8.01 0.00 0.00 0.43 0.13 -2.01 0.29 132.00 138.86 1ucx h PRO 317 Ca -0.40 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.50 1ucx h PRO 317 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1ucx h PRO 317 CO 0.60 0.00 -2.20 1.04 -0.23 0.00 0.00 178.00 177.22 1ucx n GLN 318 N -2.55 0.77 -0.09 0.86 6.02 -1.26 -4.80 117.38 116.33 1ucx n GLN 318 Ca 0.01 -0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 1ucx n GLN 318 Cb 0.20 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 1ucx n GLN 318 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ucx n ALA 319 N -2.54 1.50 0.00 -1.58 0.00 -0.72 -4.49 120.51 112.68 1ucx n ALA 319 Ca -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1ucx n ALA 319 Cb 0.92 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 1.73 -0.60 3.57 0.00 0.00 0.95 -0.84 105.19 109.99 1ucx n GLY 320 Ca -0.31 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.48 -0.09 1.61 1.04 -0.57 0.31 113.70 111.52 1ucx s SER 321 Ca 0.00 0.58 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 1ucx s SER 321 Cb 0.00 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ucx s SER 321 CO 0.00 -0.41 -0.07 -0.69 0.98 0.00 0.00 173.24 173.05 1ucx s VAL 322 N -0.97 0.91 -0.02 5.02 1.01 -0.36 -1.68 120.40 124.30 1ucx s VAL 322 Ca -0.04 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1ucx s VAL 322 Cb -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1ucx s VAL 322 CO 0.04 0.34 -0.17 -0.89 0.00 0.00 0.00 175.10 174.42 1ucx s THR 323 N 1.51 2.84 -0.03 3.92 2.01 -0.75 -0.27 115.64 124.88 1ucx s THR 323 Ca 0.01 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 1ucx s THR 323 Cb -0.13 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.28 1ucx s THR 323 CO -0.05 0.53 0.06 0.42 -0.69 0.00 0.00 174.62 174.89 1ucx s THR 324 N -0.76 -0.02 -0.43 -0.82 -4.23 -1.26 -0.81 115.64 107.31 1ucx s THR 324 Ca 0.12 0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1ucx s THR 324 Cb -0.10 -0.10 0.08 0.00 1.34 0.00 0.00 72.50 73.72 1ucx s THR 324 CO 0.01 0.03 0.28 0.00 -0.54 0.00 0.00 174.62 174.40 1ucx s ALA 325 N 0.41 3.33 0.49 3.99 0.00 -0.96 -5.01 121.76 124.00 1ucx s ALA 325 Ca -0.03 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.74 1ucx s ALA 325 Cb -0.05 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.41 1ucx s ALA 325 CO -0.01 -1.69 0.33 0.25 0.00 0.00 0.00 175.76 174.64 1ucx n THR 326 N 4.94 0.00 1.69 0.00 -2.24 -1.26 -3.68 114.28 113.73 1ucx n THR 326 Ca -0.10 -0.53 0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1ucx n THR 326 Cb 0.43 -1.20 0.80 0.00 -2.10 0.00 0.00 70.33 68.26 1ucx n THR 326 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ucx n SER 327 N -2.96 0.19 0.01 3.42 3.41 -0.72 -1.10 113.62 115.87 1ucx n SER 327 Ca 0.05 -0.70 -0.18 0.00 -0.26 0.00 0.00 58.87 57.78 1ucx n SER 327 Cb 0.20 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 63.94 1ucx n SER 327 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ucx h LEU 328 N 0.26 0.62 -0.35 1.04 -0.00 -1.94 -3.25 115.31 111.69 1ucx h LEU 328 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 1ucx h LEU 328 Cb 0.18 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1ucx h LEU 328 CO 0.00 1.30 -0.81 -0.90 -0.00 0.00 0.00 178.44 178.03 1ucx n ASP 329 N -4.13 1.35 -3.20 -0.43 5.68 -1.16 -4.58 116.55 110.07 1ucx n ASP 329 Ca -0.11 -1.16 -0.24 0.00 -0.50 0.00 0.00 54.79 52.78 1ucx n ASP 329 Cb 0.72 0.80 -0.07 0.00 -1.14 0.00 0.00 41.12 41.44 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 -0.99 -0.57 0.25 2.11 7.35 -0.25 -4.97 117.46 120.38 1ucx n PHE 330 Ca 0.06 -3.45 0.18 0.00 -0.76 0.00 0.00 57.45 53.48 1ucx n PHE 330 Cb 0.38 -0.19 0.85 0.00 0.35 0.00 0.00 39.48 40.88 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 -1.78 -0.80 132.00 126.65 1ucx h PRO 331 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ucx h PRO 331 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ucx h PRO 331 CO 0.44 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.21 1ucx h ALA 332 N 1.56 1.00 0.00 -0.56 0.00 -1.88 -1.26 119.26 118.12 1ucx h ALA 332 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ucx h ALA 332 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ucx h ALA 332 CO -0.00 0.00 0.00 1.25 0.00 0.00 0.00 179.25 180.50 1ucx h LEU 333 N 0.00 0.00 -1.15 0.00 5.85 -1.46 -2.64 115.31 115.91 1ucx h LEU 333 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ucx h LEU 333 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ucx h LEU 333 CO 0.00 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 178.87 1ucx h SER 334 N 0.00 0.00 -0.03 1.25 4.64 -1.43 0.20 113.55 118.18 1ucx h SER 334 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1ucx h SER 334 Cb 0.68 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1ucx h SER 334 CO 0.00 0.00 -0.46 -0.50 -0.87 0.00 0.00 176.83 175.00 1ucx h TRP 335 N 0.00 0.52 0.00 4.77 4.06 -1.62 -3.30 115.95 120.37 1ucx h TRP 335 Ca 0.00 -0.26 -0.04 0.00 2.06 0.00 0.00 58.89 60.65 1ucx h TRP 335 Cb 0.56 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1ucx h TRP 335 CO 0.00 1.06 -0.20 -0.07 -3.56 0.00 0.00 178.44 175.67 1ucx h LEU 336 N -0.17 0.00 2.37 -4.49 3.38 -1.32 -3.47 115.31 111.61 1ucx h LEU 336 Ca -0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 1ucx h LEU 336 Cb 1.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1ucx h LEU 336 CO 0.09 0.20 -0.36 -1.14 0.09 0.00 0.00 178.44 177.32 1ucx n ARG 337 N -3.26 -1.91 -4.53 1.13 3.00 0.63 -4.86 116.66 106.86 1ucx n ARG 337 Ca 0.01 0.76 -0.25 0.00 -0.00 0.00 0.00 57.85 58.37 1ucx n ARG 337 Cb 0.48 -5.31 -0.11 0.00 0.00 0.00 0.00 32.46 27.53 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 -5.39 2.62 0.35 6.15 1.43 -1.21 -2.11 118.68 120.53 1ucx s LEU 338 Ca 0.00 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 1ucx s LEU 338 Cb 0.00 -0.75 0.03 0.00 0.03 0.00 0.00 46.19 45.50 1ucx s LEU 338 CO 0.00 -0.42 0.67 -0.94 0.23 0.00 0.00 176.35 175.89 1ucx s SER 339 N -3.59 0.25 0.22 2.29 1.04 -1.18 -3.31 113.70 109.42 1ucx s SER 339 Ca 0.34 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.51 1ucx s SER 339 Cb 0.07 0.77 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 1ucx s SER 339 CO 0.16 -1.51 0.31 0.00 0.98 0.00 0.00 173.24 173.18 1ucx s ALA 340 N -2.79 0.39 -0.22 5.32 0.00 -1.24 -2.40 121.76 120.82 1ucx s ALA 340 Ca 0.20 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 1ucx s ALA 340 Cb -0.03 1.19 0.10 0.00 0.00 0.00 0.00 23.12 24.37 1ucx s ALA 340 CO 0.13 -0.72 0.44 -2.00 0.00 0.00 0.00 175.76 173.61 1ucx s GLU 341 N -4.07 0.35 0.16 0.00 2.12 -0.63 -2.26 118.70 114.37 1ucx s GLU 341 Ca 0.29 0.99 -0.11 0.00 0.36 0.00 0.00 54.97 56.51 1ucx s GLU 341 Cb 0.03 0.26 -0.07 0.00 0.26 0.00 0.00 34.13 34.62 1ucx s GLU 341 CO 0.09 -0.32 0.49 0.12 -0.54 0.00 0.00 175.26 175.11 1ucx s PHE 342 N 2.63 3.53 -0.04 5.30 5.36 0.01 -1.45 117.98 133.32 1ucx s PHE 342 Ca 0.01 0.88 -0.01 0.00 -0.96 0.00 0.00 56.93 56.85 1ucx s PHE 342 Cb -0.13 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1ucx s PHE 342 CO -0.14 0.40 0.08 0.20 -1.46 0.00 0.00 175.22 174.30 1ucx s GLY 343 N -2.00 0.05 -0.13 13.12 0.00 -0.35 -1.81 107.32 116.21 1ucx s GLY 343 Ca 0.40 0.45 0.02 0.00 0.00 0.00 0.00 44.72 45.59 1ucx s GLY 343 CO 0.20 0.84 -0.19 -0.45 0.00 0.00 0.00 173.10 173.50 1ucx s SER 344 N 1.16 2.84 -0.04 1.64 0.15 -0.68 -1.24 113.70 117.52 1ucx s SER 344 Ca -0.09 -0.53 -0.00 0.00 0.70 0.00 0.00 55.95 56.03 1ucx s SER 344 Cb -0.12 -1.30 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 1ucx s SER 344 CO -0.04 0.05 -0.00 -0.76 1.20 0.00 0.00 173.24 173.69 1ucx s LEU 345 N 0.89 0.98 0.83 3.45 1.43 -0.77 -1.51 118.68 123.98 1ucx s LEU 345 Ca -0.07 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1ucx s LEU 345 Cb -0.15 -0.32 0.10 0.00 0.03 0.00 0.00 46.19 45.85 1ucx s LEU 345 CO -0.02 -0.12 1.16 -0.13 0.23 0.00 0.00 176.35 177.47 1ucx s ARG 346 N 1.31 1.57 0.31 1.70 1.81 -0.02 -2.20 118.95 123.44 1ucx s ARG 346 Ca -0.05 1.56 -0.29 0.00 -1.72 0.00 0.00 55.73 55.23 1ucx s ARG 346 Cb -0.13 -1.79 -0.13 0.00 -0.45 0.00 0.00 34.95 32.45 1ucx s ARG 346 CO -0.02 -2.22 1.28 1.17 -0.68 0.00 0.00 175.30 174.82 1ucx n LYS 347 N -3.63 2.00 -0.89 3.54 4.81 -0.97 -2.36 118.16 120.66 1ucx n LYS 347 Ca 0.12 0.70 -0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1ucx n LYS 347 Cb 0.52 -2.27 -0.00 0.00 0.02 0.00 0.00 35.03 33.29 1ucx n LYS 347 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ucx n ASN 348 N 1.13 -5.26 -3.81 3.14 5.03 0.62 -4.75 115.26 111.37 1ucx n ASN 348 Ca 0.07 0.01 -0.26 0.00 0.87 0.00 0.00 54.58 55.27 1ucx n ASN 348 Cb 0.34 -3.15 0.17 0.00 -1.02 0.00 0.00 39.78 36.13 1ucx n ASN 348 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ucx n ALA 349 N 0.88 -1.16 -3.57 5.41 0.00 -1.00 -4.04 120.51 117.04 1ucx n ALA 349 Ca -0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 53.44 51.72 1ucx n ALA 349 Cb 0.44 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -5.52 0.39 -0.15 0.00 0.00 -0.29 -2.17 119.30 111.56 1ucx s MET 350 Ca 0.67 0.68 -0.18 0.00 0.00 0.00 0.00 55.69 56.87 1ucx s MET 350 Cb -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 34.83 34.81 1ucx s MET 350 CO 0.47 -0.13 0.46 -0.59 0.00 0.00 0.00 175.02 175.23 1ucx s PHE 351 N 1.02 3.45 0.85 4.11 -0.12 -0.22 -1.17 117.98 125.91 1ucx s PHE 351 Ca -0.07 0.80 -0.14 0.00 -0.05 0.00 0.00 56.93 57.48 1ucx s PHE 351 Cb -0.07 -2.56 0.03 0.00 -0.63 0.00 0.00 43.02 39.79 1ucx s PHE 351 CO -0.08 0.08 0.63 1.33 -0.05 0.00 0.00 175.22 177.13 1ucx n VAL 352 N 3.97 0.93 -1.63 -2.49 0.24 -0.86 -2.13 118.33 116.36 1ucx n VAL 352 Ca -0.07 -0.25 -0.49 0.00 -2.04 0.00 0.00 64.34 61.49 1ucx n VAL 352 Cb 0.51 -0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 32.05 1ucx n VAL 352 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1ucx n PRO 353 N -1.83 1.61 -3.85 7.34 -0.04 -1.24 -4.49 135.00 132.50 1ucx n PRO 353 Ca 0.09 0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 64.06 1ucx n PRO 353 Cb 0.52 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1ucx n PRO 353 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ucx s HIS 354 N 0.78 -0.15 -0.02 0.54 -3.43 -0.89 -0.39 115.29 111.74 1ucx s HIS 354 Ca 0.82 -0.33 -0.06 0.00 -0.80 0.00 0.00 55.06 54.69 1ucx s HIS 354 Cb -0.83 0.72 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1ucx s HIS 354 CO 0.43 -1.27 0.13 1.52 -2.00 0.00 0.00 174.74 173.55 1ucx s TYR 355 N -3.70 -0.02 -0.16 0.38 -0.85 0.67 -1.34 117.35 112.33 1ucx s TYR 355 Ca 0.12 0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.46 1ucx s TYR 355 Cb -0.06 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 1ucx s TYR 355 CO 0.07 -0.20 0.75 -0.80 -1.52 0.00 0.00 175.55 173.85 1ucx s ASN 356 N -0.83 6.88 0.08 -0.18 0.01 -1.23 -0.39 114.94 119.29 1ucx s ASN 356 Ca -0.09 1.07 -0.20 0.00 -0.71 0.00 0.00 52.86 52.92 1ucx s ASN 356 Cb -0.05 -2.41 -0.10 0.00 0.41 0.00 0.00 41.25 39.09 1ucx s ASN 356 CO 0.01 -0.32 1.60 -0.07 -1.51 0.00 0.00 177.10 176.81 1ucx h LEU 357 N 8.04 0.25 -3.66 0.60 4.07 -1.31 -3.36 115.31 119.94 1ucx h LEU 357 Ca -0.32 -0.20 -0.29 0.00 0.08 0.00 0.00 57.88 57.16 1ucx h LEU 357 Cb 1.15 -0.07 -0.28 0.00 1.08 0.00 0.00 40.66 42.54 1ucx h LEU 357 CO 0.80 0.38 -0.78 -0.46 -1.08 0.00 0.00 178.44 177.31 1ucx n ASN 358 N -4.83 3.01 -3.54 -0.43 6.94 -1.26 -4.78 115.26 110.37 1ucx n ASN 358 Ca -0.04 -3.38 -0.15 0.00 -0.02 0.00 0.00 54.58 50.98 1ucx n ASN 358 Cb 0.14 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.09 1ucx n ASN 358 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ucx s ALA 359 N -3.14 -1.83 0.59 -2.53 0.00 -1.26 -4.70 121.76 108.90 1ucx s ALA 359 Ca 0.42 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1ucx s ALA 359 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1ucx s ALA 359 CO -0.03 -0.36 0.96 -0.80 0.00 0.00 0.00 175.76 175.53 1ucx s ASN 360 N -1.21 6.14 -0.05 0.00 0.01 -1.26 -4.26 114.94 114.32 1ucx s ASN 360 Ca -0.07 1.23 0.03 0.00 -0.71 0.00 0.00 52.86 53.33 1ucx s ASN 360 Cb -0.00 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.34 1ucx s ASN 360 CO 0.06 -0.84 -0.11 -0.44 -1.51 0.00 0.00 177.10 174.26 1ucx s SER 361 N -4.18 1.56 -0.36 -1.22 0.01 -0.69 -2.08 113.70 106.74 1ucx s SER 361 Ca 0.53 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.57 1ucx s SER 361 Cb -0.11 -0.58 0.10 0.00 0.21 0.00 0.00 66.02 65.64 1ucx s SER 361 CO 0.51 0.05 0.08 -0.63 0.41 0.00 0.00 173.24 173.66 1ucx s ILE 362 N 0.44 2.37 -0.38 1.44 1.09 0.12 -0.93 121.20 125.35 1ucx s ILE 362 Ca -0.09 -2.39 -0.23 0.00 -1.10 0.00 0.00 60.65 56.84 1ucx s ILE 362 Cb -0.13 -2.74 0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1ucx s ILE 362 CO 0.02 -0.62 0.76 -0.63 -0.10 0.00 0.00 174.94 174.37 1ucx s ILE 363 N 0.84 4.74 -0.24 2.92 1.01 0.34 -0.96 121.20 129.85 1ucx s ILE 363 Ca 0.11 0.74 -0.13 0.00 0.00 0.00 0.00 60.65 61.37 1ucx s ILE 363 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1ucx s ILE 363 CO -0.07 -0.47 0.28 -0.47 0.00 0.00 0.00 174.94 174.20 1ucx s TYR 364 N 3.07 3.31 -0.83 3.97 5.04 0.35 -1.26 117.35 131.00 1ucx s TYR 364 Ca 0.30 0.36 -0.24 0.00 -2.44 0.00 0.00 57.07 55.05 1ucx s TYR 364 Cb -0.13 -2.42 0.06 0.00 0.35 0.00 0.00 41.96 39.82 1ucx s TYR 364 CO 0.18 -0.04 1.23 0.00 -1.34 0.00 0.00 175.55 175.58 1ucx s ALA 365 N 1.43 2.91 0.04 3.97 0.00 -0.84 -1.54 121.76 127.73 1ucx s ALA 365 Ca 0.12 -1.95 -0.26 0.00 0.00 0.00 0.00 51.96 49.88 1ucx s ALA 365 Cb -0.15 -4.22 -0.14 0.00 0.00 0.00 0.00 23.12 18.62 1ucx s ALA 365 CO 0.07 -3.22 1.33 -0.07 0.00 0.00 0.00 175.76 173.87 1ucx h LEU 366 N 12.18 -0.78 -8.18 0.00 3.38 -0.64 -1.05 115.31 120.21 1ucx h LEU 366 Ca -0.08 0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 1ucx h LEU 366 Cb 1.04 0.20 -0.23 0.00 0.09 0.00 0.00 40.66 41.76 1ucx h LEU 366 CO 1.28 -0.54 -0.76 0.21 0.09 0.00 0.00 178.44 178.72 1ucx s ASN 367 N -3.49 1.08 0.00 -0.43 2.47 -0.94 -4.46 114.94 109.18 1ucx s ASN 367 Ca -0.13 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 52.69 1ucx s ASN 367 Cb 0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 1ucx s ASN 367 CO 0.40 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 174.30 1ucx n GLY 368 N 1.80 -0.63 3.64 1.21 0.00 -1.26 -0.74 105.19 109.20 1ucx n GLY 368 Ca -0.20 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 0.57 0.00 1.61 3.52 -1.26 -1.40 118.95 121.99 1ucx s ARG 369 Ca 0.00 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 1ucx s ARG 369 Cb 0.00 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1ucx s ARG 369 CO 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 175.30 174.37 1ucx n ALA 370 N 4.13 0.00 -3.73 6.12 0.00 -0.83 -1.47 120.51 124.73 1ucx n ALA 370 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 1ucx n ALA 370 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.87 1ucx n ALA 370 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ucx s LEU 371 N 0.00 1.15 0.06 0.00 0.20 -0.37 -3.62 118.68 116.09 1ucx s LEU 371 Ca 0.00 -0.81 0.03 0.00 0.69 0.00 0.00 54.13 54.04 1ucx s LEU 371 Cb 0.00 -0.58 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 1ucx s LEU 371 CO 0.00 -0.31 0.01 -0.63 -0.29 0.00 0.00 176.35 175.13 1ucx s ILE 372 N 1.87 4.13 -0.13 6.68 1.01 -0.59 -2.32 121.20 131.85 1ucx s ILE 372 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1ucx s ILE 372 Cb -0.17 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1ucx s ILE 372 CO -0.08 0.21 -0.08 -1.10 0.00 0.00 0.00 174.94 173.89 1ucx s GLN 373 N -2.05 1.63 -0.07 2.79 -0.21 -0.65 -2.63 119.66 118.47 1ucx s GLN 373 Ca 0.24 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.30 1ucx s GLN 373 Cb -0.12 -1.75 0.01 0.00 1.00 0.00 0.00 33.01 32.15 1ucx s GLN 373 CO 0.16 -0.29 -0.15 0.54 -2.12 0.00 0.00 175.29 173.43 1ucx s VAL 374 N 1.66 1.34 -0.02 1.09 0.11 -0.49 -2.00 120.40 122.09 1ucx s VAL 374 Ca 0.04 -0.61 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1ucx s VAL 374 Cb -0.13 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1ucx s VAL 374 CO -0.09 0.40 -0.23 0.54 -3.33 0.00 0.00 175.10 172.39 1ucx s VAL 375 N 0.53 1.84 0.00 2.04 0.11 -0.93 -0.32 120.40 123.67 1ucx s VAL 375 Ca -0.14 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1ucx s VAL 375 Cb -0.16 -1.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1ucx s VAL 375 CO 0.05 0.52 0.00 -0.46 -3.33 0.00 0.00 175.10 171.88 1ucx n ASN 376 N 2.55 0.00 0.11 3.54 0.23 -0.62 -1.68 115.26 119.39 1ucx n ASN 376 Ca -0.16 -0.93 0.11 0.00 -0.53 0.00 0.00 54.58 53.07 1ucx n ASN 376 Cb 0.52 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 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 -2.11 0.78 0.00 0.00 5.03 -1.26 -4.97 115.26 112.73 1ucx n ASN 378 Ca 0.03 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.84 1ucx n ASN 378 Cb 0.24 0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 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 1.51 0.99 3.69 7.41 0.00 -1.08 -5.11 105.19 112.60 1ucx n GLY 379 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.09 4.42 -1.17 1.61 2.02 -1.26 -4.80 118.70 119.43 1ucx s GLU 380 Ca 0.00 1.50 -0.20 0.00 0.02 0.00 0.00 54.97 56.29 1ucx s GLU 380 Cb 0.00 -3.52 0.06 0.00 0.10 0.00 0.00 34.13 30.77 1ucx s GLU 380 CO 0.00 -0.31 1.59 0.50 0.02 0.00 0.00 175.26 177.06 1ucx s ARG 381 N 1.85 3.81 0.00 1.61 3.52 -1.26 -1.59 118.95 126.89 1ucx s ARG 381 Ca 0.52 -1.62 0.10 0.00 -0.13 0.00 0.00 55.73 54.59 1ucx s ARG 381 Cb -0.21 -5.44 0.54 0.00 -1.56 0.00 0.00 34.95 28.28 1ucx s ARG 381 CO 0.21 -2.22 1.14 1.33 -0.81 0.00 0.00 175.30 174.96 1ucx n VAL 382 N 6.56 0.49 -3.65 7.11 0.24 0.57 -4.55 118.33 125.10 1ucx n VAL 382 Ca 0.41 0.12 -0.10 0.00 -2.04 0.00 0.00 64.34 62.73 1ucx n VAL 382 Cb 0.48 -0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.36 -0.91 -0.23 6.34 5.36 -0.91 -0.52 117.98 124.75 1ucx s PHE 383 Ca 0.11 1.95 -0.08 0.00 -0.96 0.00 0.00 56.93 57.96 1ucx s PHE 383 Cb 0.07 0.46 0.10 0.00 -0.34 0.00 0.00 43.02 43.31 1ucx s PHE 383 CO 0.14 -0.45 0.49 0.34 -1.46 0.00 0.00 175.22 174.28 1ucx s ASP 384 N 1.12 -0.52 0.00 6.13 -1.08 -1.26 -1.39 116.67 119.67 1ucx s ASP 384 Ca -0.06 1.15 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 1ucx s ASP 384 Cb -0.05 1.64 0.00 0.00 -1.46 0.00 0.00 42.92 43.05 1ucx s ASP 384 CO -0.11 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 175.96 1ucx n GLY 385 N 5.41 0.25 3.14 2.66 0.00 -1.08 -5.04 105.19 110.52 1ucx n GLY 385 Ca -0.09 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.00 2.41 -0.35 1.61 -1.05 -1.26 -1.54 118.70 116.53 1ucx s GLU 386 Ca 0.00 -0.68 -0.19 0.00 -0.15 0.00 0.00 54.97 53.94 1ucx s GLU 386 Cb 0.00 -1.89 -0.00 0.00 -0.44 0.00 0.00 34.13 31.79 1ucx s GLU 386 CO 0.00 0.14 0.57 -1.17 0.95 0.00 0.00 175.26 175.75 1ucx s LEU 387 N 0.41 4.29 0.42 1.83 2.96 -1.24 -4.87 118.68 122.47 1ucx s LEU 387 Ca -0.15 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1ucx s LEU 387 Cb -0.16 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 1ucx s LEU 387 CO 0.06 -0.52 0.33 0.00 -1.32 0.00 0.00 176.35 174.90 1ucx s GLN 388 N 2.54 2.44 0.22 1.98 -2.07 -1.26 -1.96 119.66 121.54 1ucx s GLN 388 Ca 0.22 -1.64 -0.28 0.00 -1.82 0.00 0.00 55.36 51.84 1ucx s GLN 388 Cb -0.15 -2.26 -0.16 0.00 -1.09 0.00 0.00 33.01 29.34 1ucx s GLN 388 CO 0.14 -0.20 0.65 0.39 -1.32 0.00 0.00 175.29 174.95 1ucx n GLU 389 N -1.48 0.35 -2.19 9.60 1.02 -0.49 -2.39 120.64 125.05 1ucx n GLU 389 Ca 0.02 0.12 -0.19 0.00 -0.02 0.00 0.00 57.16 57.10 1ucx n GLU 389 Cb 0.63 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 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 1.80 0.05 3.32 0.62 0.00 -0.40 -5.00 105.19 105.58 1ucx n GLY 390 Ca 0.16 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1ucx n GLY 390 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ucx s ARG 391 N -4.67 1.22 -0.08 1.61 3.52 -1.01 -4.75 118.95 114.79 1ucx s ARG 391 Ca 0.00 -1.28 0.01 0.00 -0.13 0.00 0.00 55.73 54.33 1ucx s ARG 391 Cb 0.00 -1.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.99 1ucx s ARG 391 CO 0.00 0.32 -0.09 0.54 -0.81 0.00 0.00 175.30 175.25 1ucx s VAL 392 N -1.50 1.02 -0.23 7.11 0.11 -0.16 -1.99 120.40 124.75 1ucx s VAL 392 Ca 0.11 -0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1ucx s VAL 392 Cb -0.08 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1ucx s VAL 392 CO 0.05 0.35 0.05 -0.22 -3.33 0.00 0.00 175.10 172.00 1ucx s LEU 393 N 1.16 3.45 -0.09 2.54 2.96 -0.39 -1.59 118.68 126.72 1ucx s LEU 393 Ca -0.06 -0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 1ucx s LEU 393 Cb -0.14 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1ucx s LEU 393 CO -0.02 0.01 0.40 -0.63 -1.32 0.00 0.00 176.35 174.79 1ucx s ILE 394 N 1.33 5.17 -0.31 6.68 1.01 -1.26 -0.50 121.20 133.31 1ucx s ILE 394 Ca 0.05 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 1ucx s ILE 394 Cb -0.15 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.70 1ucx s ILE 394 CO 0.03 0.44 0.10 -0.69 0.00 0.00 0.00 174.94 174.81 1ucx s VAL 395 N -0.04 0.84 0.00 2.92 1.01 -0.11 -4.97 120.40 120.04 1ucx s VAL 395 Ca 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1ucx s VAL 395 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1ucx s VAL 395 CO 0.10 -0.67 0.00 -2.65 0.00 0.00 0.00 175.10 171.87 1ucx n PRO 396 N 4.86 1.00 0.02 2.72 -0.02 -1.26 -1.70 135.00 140.62 1ucx n PRO 396 Ca -0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.45 1ucx n PRO 396 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1ucx n PRO 396 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ucx h GLN 397 N 0.00 -0.05 -0.69 -0.52 4.15 -1.89 -3.37 115.11 112.75 1ucx h GLN 397 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ucx h GLN 397 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1ucx h GLN 397 CO 0.00 -0.04 0.00 0.09 -1.93 0.00 0.00 178.83 176.95 1ucx n ASN 398 N -2.37 4.06 -4.74 -0.69 5.03 -1.26 -3.48 115.26 111.80 1ucx n ASN 398 Ca -0.01 -2.16 -0.36 0.00 0.87 0.00 0.00 54.58 52.93 1ucx n ASN 398 Cb 0.02 -0.51 0.05 0.00 -1.02 0.00 0.00 39.78 38.33 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 -1.35 2.24 -0.12 3.10 0.40 -1.26 -4.87 117.98 116.12 1ucx s PHE 399 Ca 0.48 1.52 -0.02 0.00 -0.60 0.00 0.00 56.93 58.30 1ucx s PHE 399 Cb 0.27 -3.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 1ucx s PHE 399 CO 0.29 -2.51 -0.04 0.08 0.70 0.00 0.00 175.22 173.74 1ucx s VAL 400 N -1.60 3.88 -0.01 -0.44 1.01 -0.67 -4.45 120.40 118.12 1ucx s VAL 400 Ca 0.79 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.45 1ucx s VAL 400 Cb -0.32 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1ucx s VAL 400 CO 0.37 0.54 -0.23 0.68 0.00 0.00 0.00 175.10 176.47 1ucx s VAL 401 N -0.17 1.80 0.02 2.92 -7.23 -0.45 -2.19 120.40 115.10 1ucx s VAL 401 Ca 0.03 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1ucx s VAL 401 Cb -0.13 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1ucx s VAL 401 CO 0.02 0.47 -0.07 0.00 -0.31 0.00 0.00 175.10 175.21 1ucx s ALA 402 N -0.57 0.57 -0.13 1.32 0.00 -0.85 -2.09 121.76 120.01 1ucx s ALA 402 Ca 0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1ucx s ALA 402 Cb -0.09 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1ucx s ALA 402 CO -0.00 0.06 0.33 0.00 0.00 0.00 0.00 175.76 176.14 1ucx s ALA 403 N -0.80 -0.81 -0.21 0.00 0.00 -0.91 -1.64 121.76 117.40 1ucx s ALA 403 Ca -0.04 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.91 1ucx s ALA 403 Cb -0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1ucx s ALA 403 CO 0.00 -0.18 -0.01 0.50 0.00 0.00 0.00 175.76 176.07 1ucx s ARG 404 N 0.53 3.53 0.13 0.00 3.52 -0.98 -1.05 118.95 124.62 1ucx s ARG 404 Ca -0.03 -0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 54.70 1ucx s ARG 404 Cb -0.04 -3.05 -0.08 0.00 -1.56 0.00 0.00 34.95 30.21 1ucx s ARG 404 CO -0.03 -0.06 1.38 0.45 -0.81 0.00 0.00 175.30 176.23 1ucx s SER 405 N 1.16 6.83 0.00 -2.12 0.15 -0.92 -1.24 113.70 117.56 1ucx s SER 405 Ca 0.03 2.34 0.17 0.00 0.70 0.00 0.00 55.95 59.18 1ucx s SER 405 Cb -0.14 -2.59 0.21 0.00 -1.71 0.00 0.00 66.02 61.78 1ucx s SER 405 CO 0.01 -0.64 1.12 0.00 1.20 0.00 0.00 173.24 174.93 1ucx n GLN 406 N 3.76 1.69 -4.28 5.44 6.02 -0.54 -0.28 117.38 129.20 1ucx n GLN 406 Ca 0.11 -1.70 -0.15 0.00 -0.01 0.00 0.00 57.00 55.24 1ucx n GLN 406 Cb 0.42 -1.35 -0.10 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.34 1.82 -0.76 1.08 0.01 -1.21 -4.83 113.70 108.47 1ucx s SER 407 Ca 0.23 -1.08 -0.25 0.00 1.31 0.00 0.00 55.95 56.17 1ucx s SER 407 Cb 0.15 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.42 1ucx s SER 407 CO 0.22 -0.38 1.22 -1.81 0.41 0.00 0.00 173.24 172.89 1ucx s ASP 408 N -3.22 6.22 -0.17 2.44 1.01 -1.26 -2.28 116.67 119.41 1ucx s ASP 408 Ca 0.21 -0.77 -0.06 0.00 0.71 0.00 0.00 52.55 52.64 1ucx s ASP 408 Cb 0.03 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.47 1ucx s ASP 408 CO 0.03 -1.67 0.11 0.59 0.21 0.00 0.00 175.17 174.45 1ucx n ASN 409 N 8.79 -2.89 -4.71 0.27 4.13 -1.11 -4.93 115.26 114.81 1ucx n ASN 409 Ca 0.06 0.99 -0.42 0.00 1.68 0.00 0.00 54.58 56.89 1ucx n ASN 409 Cb 0.48 -4.09 -0.03 0.00 -1.54 0.00 0.00 39.78 34.60 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 -0.75 3.52 -0.05 3.10 5.36 -0.93 -4.44 117.98 123.78 1ucx s PHE 410 Ca -0.13 1.50 0.06 0.00 -0.96 0.00 0.00 56.93 57.40 1ucx s PHE 410 Cb 0.01 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.41 1ucx s PHE 410 CO 0.57 -0.62 -0.24 -1.21 -1.46 0.00 0.00 175.22 172.27 1ucx s GLU 411 N 1.24 2.35 0.00 10.12 0.41 0.08 -1.86 118.70 131.04 1ucx s GLU 411 Ca 0.54 -0.85 -0.14 0.00 -0.41 0.00 0.00 54.97 54.12 1ucx s GLU 411 Cb -0.24 -2.02 0.02 0.00 -1.78 0.00 0.00 34.13 30.11 1ucx s GLU 411 CO 0.27 0.37 0.29 1.52 -0.49 0.00 0.00 175.26 177.22 1ucx s TYR 412 N -0.17 -0.13 -0.09 1.61 -0.85 -0.38 0.15 117.35 117.49 1ucx s TYR 412 Ca -0.02 0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.70 1ucx s TYR 412 Cb -0.13 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 1ucx s TYR 412 CO 0.03 -0.41 -0.20 0.14 -1.52 0.00 0.00 175.55 173.59 1ucx s VAL 413 N -1.68 2.42 -0.32 -3.49 -7.23 -0.59 -1.21 120.40 108.31 1ucx s VAL 413 Ca -0.11 -0.91 -0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1ucx s VAL 413 Cb -0.04 -1.95 0.04 0.00 0.56 0.00 0.00 36.38 34.99 1ucx s VAL 413 CO 0.02 0.55 0.07 -0.55 -0.31 0.00 0.00 175.10 174.88 1ucx s SER 414 N 0.13 5.17 -0.38 4.85 0.15 -0.53 -0.50 113.70 122.59 1ucx s SER 414 Ca -0.10 -1.16 -0.22 0.00 0.70 0.00 0.00 55.95 55.17 1ucx s SER 414 Cb -0.16 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 1ucx s SER 414 CO 0.06 -0.30 0.72 -0.36 1.20 0.00 0.00 173.24 174.56 1ucx s PHE 415 N 1.36 3.10 0.26 3.44 0.08 -0.14 -1.60 117.98 124.49 1ucx s PHE 415 Ca -0.03 0.37 -0.03 0.00 0.12 0.00 0.00 56.93 57.36 1ucx s PHE 415 Cb -0.19 -3.35 -0.05 0.00 -0.57 0.00 0.00 43.02 38.86 1ucx s PHE 415 CO 0.02 -0.75 0.50 0.15 -0.10 0.00 0.00 175.22 175.04 1ucx s LYS 416 N 2.97 3.58 -0.90 0.44 -0.14 -1.01 0.11 119.74 124.79 1ucx s LYS 416 Ca 0.28 -0.14 -0.00 0.00 -1.36 0.00 0.00 55.97 54.74 1ucx s LYS 416 Cb -0.14 -2.71 0.27 0.00 -1.68 0.00 0.00 37.83 33.57 1ucx s LYS 416 CO 0.17 0.27 1.09 0.25 -0.76 0.00 0.00 175.35 176.37 1ucx n THR 417 N -0.92 3.87 0.00 2.17 -2.24 -0.88 -3.12 114.28 113.16 1ucx n THR 417 Ca -0.03 -5.53 0.00 0.00 -2.27 0.00 0.00 64.05 56.22 1ucx n THR 417 Cb 0.54 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 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 1.38 0.00 0.22 3.42 2.85 -0.90 -4.33 115.26 117.91 1ucx n ASN 418 Ca 0.27 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.83 1ucx n ASN 418 Cb 0.37 0.00 0.51 0.00 1.24 0.00 0.00 39.78 41.90 1ucx n ASN 418 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 1ucx h ASP 419 N 0.00 0.00 -2.50 1.20 2.03 -1.50 -3.12 116.42 112.53 1ucx h ASP 419 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 1ucx h ASP 419 Cb 0.00 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.10 1ucx h ASP 419 CO 0.00 0.24 -0.80 0.35 -1.03 0.00 0.00 179.24 178.00 1ucx n THR 420 N -3.59 0.49 -2.54 1.15 -2.24 -1.26 -1.75 114.28 104.53 1ucx n THR 420 Ca -0.01 -4.34 -0.39 0.00 -2.27 0.00 0.00 64.05 57.04 1ucx n THR 420 Cb 0.38 -1.97 -0.04 0.00 -2.10 0.00 0.00 70.33 66.60 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 -1.15 4.48 -0.11 -0.78 0.04 -1.25 -4.98 135.00 131.26 1ucx s PRO 421 Ca 0.32 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1ucx s PRO 421 Cb 0.06 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1ucx s PRO 421 CO -0.14 0.11 -0.06 -1.64 0.04 0.00 0.00 177.00 175.32 1ucx s MET 422 N -1.83 3.22 0.14 4.56 -1.94 -1.26 -5.05 119.30 117.15 1ucx s MET 422 Ca 0.49 -0.55 0.08 0.00 -1.71 0.00 0.00 55.69 54.00 1ucx s MET 422 Cb -0.27 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 1ucx s MET 422 CO 0.35 0.44 -0.09 0.96 -0.01 0.00 0.00 175.02 176.67 1ucx s ILE 423 N -0.19 3.35 -0.35 2.53 -4.36 -1.26 -0.98 121.20 119.93 1ucx s ILE 423 Ca 0.03 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 1ucx s ILE 423 Cb -0.13 -2.61 0.10 0.00 1.25 0.00 0.00 42.46 41.07 1ucx s ILE 423 CO 0.03 0.01 0.10 -0.83 0.24 0.00 0.00 174.94 174.48 1ucx s GLY 424 N -2.51 1.68 0.27 6.27 0.00 0.48 -4.90 107.32 108.61 1ucx s GLY 424 Ca 0.23 -2.32 -0.29 0.00 0.00 0.00 0.00 44.72 42.34 1ucx s GLY 424 CO 0.15 1.21 0.98 -1.08 0.00 0.00 0.00 173.10 174.36 1ucx s THR 425 N 1.00 3.93 -1.64 0.90 -1.32 -1.26 -0.24 115.64 117.01 1ucx s THR 425 Ca 0.12 1.88 0.23 0.00 -1.21 0.00 0.00 61.69 62.71 1ucx s THR 425 Cb -0.19 -4.17 -0.03 0.00 -1.51 0.00 0.00 72.50 66.59 1ucx s THR 425 CO -0.12 0.40 1.13 0.18 -2.21 0.00 0.00 174.62 174.00 1ucx n LEU 426 N 1.24 1.49 -3.66 9.08 7.99 0.48 -2.96 117.00 130.66 1ucx n LEU 426 Ca -0.01 -0.56 -0.06 0.00 -0.01 0.00 0.00 56.01 55.37 1ucx n LEU 426 Cb 0.47 -0.04 -0.08 0.00 -0.11 0.00 0.00 43.42 43.66 1ucx n LEU 426 CO 0.50 0.30 0.10 0.00 -1.51 0.00 0.00 177.39 176.78 1ucx s ALA 427 N -2.66 -1.41 0.00 -1.18 0.00 -1.26 -4.66 121.76 110.59 1ucx s ALA 427 Ca 0.16 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1ucx s ALA 427 Cb 0.18 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1ucx s ALA 427 CO 0.66 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1ucx n GLY 428 N 5.34 -1.18 0.27 0.00 0.00 -1.26 -4.72 105.19 103.63 1ucx n GLY 428 Ca -0.10 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 1ucx n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucx h ALA 429 N 0.00 0.90 -0.01 4.61 0.00 -1.70 -2.89 119.26 120.18 1ucx h ALA 429 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ucx h ALA 429 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ucx h ALA 429 CO 0.00 0.17 -0.39 0.27 0.00 0.00 0.00 179.25 179.30 1ucx n ASN 430 N -4.69 1.29 -4.36 0.00 6.94 -1.26 -4.92 115.26 108.26 1ucx n ASN 430 Ca 0.08 -1.04 -0.33 0.00 -0.02 0.00 0.00 54.58 53.27 1ucx n ASN 430 Cb 0.11 0.31 0.12 0.00 -2.36 0.00 0.00 39.78 37.96 1ucx n ASN 430 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ucx n SER 431 N -0.58 -2.43 -0.19 0.53 3.41 -1.09 -4.90 113.62 108.37 1ucx n SER 431 Ca 0.10 0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.86 1ucx n SER 431 Cb 0.38 -1.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1ucx n SER 431 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ucx h LEU 432 N -1.61 0.82 -0.94 1.04 4.07 -1.83 -2.84 115.31 114.02 1ucx h LEU 432 Ca -0.45 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.33 1ucx h LEU 432 Cb 1.30 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 42.76 1ucx h LEU 432 CO 0.34 0.84 0.60 -0.07 -1.08 0.00 0.00 178.44 179.07 1ucx h LEU 433 N 0.76 0.97 -1.14 1.67 3.38 -1.86 -1.69 115.31 117.40 1ucx h LEU 433 Ca 0.17 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1ucx h LEU 433 Cb 0.34 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1ucx h LEU 433 CO 0.00 0.64 0.60 0.78 0.09 0.00 0.00 178.44 180.55 1ucx h ASN 434 N 1.12 0.80 0.47 -0.43 -0.26 -1.80 -1.24 115.58 114.24 1ucx h ASN 434 Ca 0.39 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 1ucx h ASN 434 Cb 0.11 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1ucx h ASN 434 CO -0.15 0.42 -0.07 0.00 -1.06 0.00 0.00 177.43 176.57 1ucx n ALA 435 N -2.39 2.64 -2.71 -0.83 0.00 -0.65 -4.75 120.51 111.82 1ucx n ALA 435 Ca 0.18 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1ucx n ALA 435 Cb 0.40 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.53 4.33 0.31 0.00 1.43 -0.47 -5.02 118.68 116.73 1ucx s LEU 436 Ca 0.28 1.40 -0.27 0.00 -1.03 0.00 0.00 54.13 54.51 1ucx s LEU 436 Cb 0.20 -3.31 -0.14 0.00 0.03 0.00 0.00 46.19 42.98 1ucx s LEU 436 CO 0.47 -0.19 0.99 -2.65 0.23 0.00 0.00 176.35 175.20 1ucx n PRO 437 N 3.90 1.32 -0.32 1.29 -0.02 -1.26 -4.74 135.00 135.17 1ucx n PRO 437 Ca 0.02 0.47 0.21 0.00 -2.02 0.00 0.00 63.50 62.18 1ucx n PRO 437 Cb 0.51 -1.85 0.48 0.00 -0.02 0.00 0.00 33.50 32.62 1ucx n PRO 437 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ucx h GLU 438 N 1.89 0.44 -0.12 -0.52 4.81 -1.93 -1.04 114.58 118.11 1ucx h GLU 438 Ca -0.40 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1ucx h GLU 438 Cb 1.34 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ucx h GLU 438 CO 0.60 0.29 -0.06 1.49 -0.73 0.00 0.00 179.01 180.60 1ucx h GLU 439 N 0.45 0.26 -0.17 1.92 4.81 -1.96 -1.56 114.58 118.33 1ucx h GLU 439 Ca 0.58 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.60 1ucx h GLU 439 Cb 1.37 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1ucx h GLU 439 CO -0.30 0.59 -0.31 -0.39 -0.73 0.00 0.00 179.01 177.87 1ucx h VAL 440 N -0.09 1.27 0.00 0.32 -1.51 -1.67 -0.35 116.25 114.23 1ucx h VAL 440 Ca 0.03 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 1ucx h VAL 440 Cb 0.51 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1ucx h VAL 440 CO 0.02 0.40 0.00 -0.29 -1.23 0.00 0.00 177.57 176.47 1ucx h ILE 441 N 0.30 0.00 -0.12 7.19 2.10 -1.17 -1.22 117.51 124.59 1ucx h ILE 441 Ca 0.04 -0.53 -0.05 0.00 1.08 0.00 0.00 64.86 65.40 1ucx h ILE 441 Cb 0.70 1.45 -0.00 0.00 -1.09 0.00 0.00 36.82 37.88 1ucx h ILE 441 CO 0.05 0.00 -0.13 1.56 -1.08 0.00 0.00 178.15 178.56 1ucx h GLN 442 N 0.00 0.30 0.00 2.19 4.20 -0.02 -3.20 115.11 118.58 1ucx h GLN 442 Ca 0.00 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1ucx h GLN 442 Cb 0.62 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1ucx h GLN 442 CO 0.00 0.71 -0.48 0.45 -0.67 0.00 0.00 178.83 178.84 1ucx h HIS 443 N -0.10 0.00 0.13 2.96 3.86 -0.64 0.20 115.15 121.55 1ucx h HIS 443 Ca 0.02 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.94 1ucx h HIS 443 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1ucx h HIS 443 CO 0.09 0.48 -1.34 1.79 0.86 0.00 0.00 177.93 179.80 1ucx h THR 444 N 0.00 1.38 -0.01 2.45 1.35 -1.39 -3.34 112.91 113.35 1ucx h THR 444 Ca -0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.88 1ucx h THR 444 Cb 1.21 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 1ucx h THR 444 CO 0.06 0.86 -0.46 0.49 -0.25 0.00 0.00 175.52 176.23 1ucx n PHE 445 N -3.50 0.00 -3.10 4.73 3.72 -1.21 -5.00 117.46 113.09 1ucx n PHE 445 Ca -0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.23 1ucx n PHE 445 Cb 1.03 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 -0.34 -7.45 -4.16 4.37 5.15 0.51 -5.06 115.26 108.27 1ucx n ASN 446 Ca 0.10 -0.02 -0.11 0.00 -0.60 0.00 0.00 54.58 53.94 1ucx n ASN 446 Cb 0.42 -4.82 -0.10 0.00 -0.53 0.00 0.00 39.78 34.75 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 -3.72 2.49 0.58 1.20 1.43 -0.10 -5.04 118.68 115.53 1ucx s LEU 447 Ca 0.07 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1ucx s LEU 447 Cb -0.02 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 1ucx s LEU 447 CO 0.77 -0.45 1.00 -0.54 0.23 0.00 0.00 176.35 177.37 1ucx s LYS 448 N -3.68 3.69 0.21 1.70 1.02 -1.26 -4.62 119.74 116.79 1ucx s LYS 448 Ca 0.10 0.77 -0.12 0.00 0.02 0.00 0.00 55.97 56.74 1ucx s LYS 448 Cb 0.04 -2.11 0.26 0.00 -0.52 0.00 0.00 37.83 35.50 1ucx s LYS 448 CO -0.04 -0.47 1.64 1.03 -0.92 0.00 0.00 175.35 176.59 1ucx h SER 449 N 0.04 -0.47 0.92 2.83 0.87 -1.97 -0.32 113.55 115.44 1ucx h SER 449 Ca -0.45 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 1ucx h SER 449 Cb 1.19 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1ucx h SER 449 CO 0.62 -0.18 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.98 1ucx h GLN 450 N 0.04 0.00 0.00 2.24 -0.00 -1.98 -0.11 115.11 115.29 1ucx h GLN 450 Ca 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.90 1ucx h GLN 450 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 1ucx h GLN 450 CO -0.61 0.15 -0.42 1.96 0.00 0.00 0.00 178.83 179.92 1ucx h GLN 451 N 0.00 0.00 -0.19 1.69 4.20 -1.54 -3.27 115.11 116.00 1ucx h GLN 451 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1ucx h GLN 451 Cb 0.65 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1ucx h GLN 451 CO 0.02 0.27 -0.25 0.00 -0.67 0.00 0.00 178.83 178.20 1ucx h ALA 452 N 1.71 0.29 -0.52 3.87 0.00 0.56 -3.14 119.26 122.03 1ucx h ALA 452 Ca -0.01 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ucx h ALA 452 Cb 1.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1ucx h ALA 452 CO 0.04 0.26 0.35 0.00 0.00 0.00 0.00 179.25 179.90 1ucx h ARG 453 N 0.17 0.30 -0.53 0.00 3.08 -1.50 -0.40 114.38 115.50 1ucx h ARG 453 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ucx h ARG 453 Cb 0.81 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1ucx h ARG 453 CO 0.06 0.20 0.30 1.96 -1.07 0.00 0.00 179.97 181.41 1ucx h GLN 454 N 0.31 0.73 -0.03 0.04 4.20 -1.59 0.12 115.11 118.88 1ucx h GLN 454 Ca 0.24 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ucx h GLN 454 Cb 0.54 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1ucx h GLN 454 CO -0.05 0.55 0.01 0.82 -0.67 0.00 0.00 178.83 179.49 1ucx h ILE 455 N 0.70 1.19 -0.50 2.54 2.04 -1.10 -0.06 117.51 122.33 1ucx h ILE 455 Ca 0.19 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1ucx h ILE 455 Cb 0.03 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1ucx h ILE 455 CO -0.03 0.16 0.34 0.11 0.00 0.00 0.00 178.15 178.73 1ucx h LYS 456 N -0.18 0.32 0.00 2.37 1.57 -1.25 -3.39 116.57 116.01 1ucx h LYS 456 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ucx h LYS 456 Cb 0.25 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ucx h LYS 456 CO 0.00 0.21 -1.07 0.09 -0.57 0.00 0.00 179.45 178.11 1ucx n ASN 457 N -4.47 4.74 0.03 0.86 3.02 0.40 -4.85 115.26 115.00 1ucx n ASN 457 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 1ucx n ASN 457 Cb 0.34 0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 40.07 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 -1.29 -3.47 6.41 4.21 -1.20 -3.37 115.58 116.87 1ucx h ASN 458 Ca -0.02 0.15 -0.56 0.00 1.21 0.00 0.00 56.30 57.07 1ucx h ASN 458 Cb 0.84 0.49 -0.06 0.00 -1.12 0.00 0.00 38.32 38.47 1ucx h ASN 458 CO 0.00 -0.39 0.98 0.21 -1.29 0.00 0.00 177.43 176.94 1ucx s ASN 459 N -4.25 6.54 0.00 5.81 2.47 -1.26 -4.91 114.94 119.34 1ucx s ASN 459 Ca -0.12 0.71 0.24 0.00 0.42 0.00 0.00 52.86 54.10 1ucx s ASN 459 Cb 0.05 -2.54 0.23 0.00 -1.45 0.00 0.00 41.25 37.54 1ucx s ASN 459 CO 0.47 -1.28 1.24 -0.81 -3.72 0.00 0.00 177.10 172.99 1ucx n PRO 460 N 7.83 1.16 -3.28 0.43 -0.04 -1.26 -4.18 135.00 135.65 1ucx n PRO 460 Ca 0.14 -0.89 -0.34 0.00 -0.04 0.00 0.00 63.50 62.36 1ucx n PRO 460 Cb 0.48 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.46 3.54 -0.31 0.54 0.08 -1.26 -4.48 117.98 113.63 1ucx s PHE 461 Ca 0.21 1.12 -0.19 0.00 0.12 0.00 0.00 56.93 58.19 1ucx s PHE 461 Cb 0.19 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1ucx s PHE 461 CO 0.54 0.32 0.57 0.21 -0.10 0.00 0.00 175.22 176.77 1ucx s LYS 462 N -2.30 3.83 0.00 0.44 2.36 -1.26 -3.00 119.74 119.81 1ucx s LYS 462 Ca 0.43 0.14 0.00 0.00 -2.55 0.00 0.00 55.97 53.99 1ucx s LYS 462 Cb -0.14 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.90 1ucx s LYS 462 CO 0.20 -0.56 0.00 0.34 1.55 0.00 0.00 175.35 176.87 1ucx n PHE 463 N 5.79 0.00 -4.01 4.03 7.35 -1.26 -4.86 117.46 124.50 1ucx n PHE 463 Ca -0.03 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.31 1ucx n PHE 463 Cb 0.49 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.20 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 3.50 -0.09 -2.13 1.02 -1.26 -2.02 118.68 117.69 1ucx s LEU 464 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.08 1ucx s LEU 464 Cb 0.00 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 1ucx s LEU 464 CO 0.00 0.09 -0.20 0.54 0.02 0.00 0.00 176.35 176.80 1ucx s VAL 465 N 0.89 2.50 1.29 -1.59 0.11 -0.32 -4.73 120.40 118.55 1ucx s VAL 465 Ca 0.02 -0.88 -0.19 0.00 -2.93 0.00 0.00 61.98 58.01 1ucx s VAL 465 Cb -0.14 -1.98 0.30 0.00 -1.53 0.00 0.00 36.38 33.02 1ucx s VAL 465 CO 0.02 0.55 0.72 -2.65 -3.33 0.00 0.00 175.10 170.41 1ucx n PRO 466 N 3.24 -3.53 -1.84 1.54 -0.02 -1.26 -1.13 135.00 132.00 1ucx n PRO 466 Ca -0.18 -1.03 -0.38 0.00 -2.02 0.00 0.00 63.50 59.88 1ucx n PRO 466 Cb 0.53 -1.88 0.03 0.00 -0.02 0.00 0.00 33.50 32.16 1ucx n PRO 466 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ucx s PRO 467 N -4.43 3.25 0.35 0.52 0.02 -1.26 -4.34 135.00 129.11 1ucx s PRO 467 Ca 0.61 2.19 0.19 0.00 0.02 0.00 0.00 61.00 64.01 1ucx s PRO 467 Cb -0.14 -2.31 1.03 0.00 0.02 0.00 0.00 34.50 33.10 1ucx s PRO 467 CO 0.56 -1.09 1.54 0.37 -0.33 0.00 0.00 177.00 178.05 1ucx h GLN 468 N 1.59 0.00 -4.36 5.54 4.15 -1.92 -3.46 115.11 116.65 1ucx h GLN 468 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1ucx h GLN 468 Cb 1.29 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 1ucx h GLN 468 CO 0.58 0.00 -0.82 0.39 -1.93 0.00 0.00 178.83 177.05 1ucx n GLU 469 N -2.22 -2.60 0.00 1.69 4.71 -1.26 -5.24 120.64 115.72 1ucx n GLU 469 Ca -0.01 2.19 0.03 0.00 -0.01 0.00 0.00 57.16 59.36 1ucx n GLU 469 Cb 0.17 -3.80 0.03 0.00 -1.01 0.00 0.00 31.44 26.83 1ucx n GLU 469 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65