#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur9 n THR 3 N 0.00 0.02 -1.70 6.66 -1.04 -1.26 -4.91 114.28 112.05 1ur9 n THR 3 Ca 0.00 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1ur9 n THR 3 Cb 0.00 -1.64 -0.01 0.00 -1.82 0.00 0.00 70.33 66.86 1ur9 n THR 3 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1ur9 n ARG 4 N 3.64 2.22 -2.82 -2.82 0.63 -1.26 -4.95 116.66 111.30 1ur9 n ARG 4 Ca 0.17 0.78 -0.38 0.00 -0.92 0.00 0.00 57.85 57.50 1ur9 n ARG 4 Cb 0.30 -2.42 -0.06 0.00 0.45 0.00 0.00 32.46 30.73 1ur9 n ARG 4 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ur9 s LYS 5 N -1.39 4.62 0.47 -0.14 -0.14 -1.26 -4.98 119.74 116.91 1ur9 s LYS 5 Ca 0.59 1.31 -0.22 0.00 -1.36 0.00 0.00 55.97 56.29 1ur9 s LYS 5 Cb -0.57 -2.96 -0.08 0.00 -1.68 0.00 0.00 37.83 32.55 1ur9 s LYS 5 CO 0.58 0.37 1.12 0.00 -0.76 0.00 0.00 175.35 176.66 1ur9 s ALA 6 N -1.47 2.93 -0.34 5.17 0.00 -0.01 -4.90 121.76 123.14 1ur9 s ALA 6 Ca 0.46 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1ur9 s ALA 6 Cb -0.21 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 19.69 1ur9 s ALA 6 CO 0.26 -0.54 0.15 0.08 0.00 0.00 0.00 175.76 175.71 1ur9 s VAL 7 N -1.67 0.73 -0.37 0.00 1.01 -1.25 -0.86 120.40 117.98 1ur9 s VAL 7 Ca 0.65 -1.62 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1ur9 s VAL 7 Cb -0.25 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1ur9 s VAL 7 CO 0.30 -0.79 0.19 -0.63 0.00 0.00 0.00 175.10 174.17 1ur9 s ILE 8 N 1.31 4.41 -0.23 2.22 1.01 0.05 -0.88 121.20 129.10 1ur9 s ILE 8 Ca 0.13 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1ur9 s ILE 8 Cb -0.20 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1ur9 s ILE 8 CO -0.17 -0.25 0.03 -0.83 0.00 0.00 0.00 174.94 173.72 1ur9 s GLY 9 N 1.57 1.73 0.43 6.18 0.00 -0.23 -1.09 107.32 115.90 1ur9 s GLY 9 Ca 0.01 -1.08 -0.23 0.00 0.00 0.00 0.00 44.72 43.41 1ur9 s GLY 9 CO 0.06 0.41 1.10 -0.19 0.00 0.00 0.00 173.10 174.48 1ur9 s TYR 10 N 1.37 3.10 -0.25 1.90 1.51 -0.38 -0.66 117.35 123.94 1ur9 s TYR 10 Ca 0.05 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 1ur9 s TYR 10 Cb -0.15 -3.23 0.07 0.00 -0.11 0.00 0.00 41.96 38.54 1ur9 s TYR 10 CO 0.02 -1.00 -0.01 -0.47 -1.11 0.00 0.00 175.55 172.98 1ur9 s TYR 11 N -1.62 2.26 -0.20 2.71 5.04 0.04 -0.39 117.35 125.19 1ur9 s TYR 11 Ca 0.60 -1.77 -0.08 0.00 -2.44 0.00 0.00 57.07 53.38 1ur9 s TYR 11 Cb -0.25 -1.66 -0.04 0.00 0.35 0.00 0.00 41.96 40.36 1ur9 s TYR 11 CO 0.30 -0.79 0.09 0.12 -1.34 0.00 0.00 175.55 173.94 1ur9 s PHE 12 N 1.44 3.28 -0.11 4.97 5.36 -1.26 -0.72 117.98 130.93 1ur9 s PHE 12 Ca -0.01 0.11 -0.03 0.00 -0.96 0.00 0.00 56.93 56.03 1ur9 s PHE 12 Cb -0.18 -2.14 0.04 0.00 -0.34 0.00 0.00 43.02 40.40 1ur9 s PHE 12 CO -0.09 0.12 0.06 -1.50 -1.46 0.00 0.00 175.22 172.35 1ur9 s ILE 13 N 0.59 0.02 0.48 3.12 2.07 -1.09 -4.83 121.20 121.56 1ur9 s ILE 13 Ca 0.05 0.06 -0.22 0.00 -1.41 0.00 0.00 60.65 59.13 1ur9 s ILE 13 Cb -0.13 -0.45 -0.09 0.00 0.13 0.00 0.00 42.46 41.93 1ur9 s ILE 13 CO 0.01 -0.03 0.99 -2.65 -1.91 0.00 0.00 174.94 171.35 1ur9 n PRO 14 N 5.25 1.23 -0.29 3.50 -0.02 -1.26 -4.70 135.00 138.70 1ur9 n PRO 14 Ca -0.06 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1ur9 n PRO 14 Cb 0.49 -2.09 0.25 0.00 -0.02 0.00 0.00 33.50 32.14 1ur9 n PRO 14 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ur9 h THR 15 N 1.21 0.61 -0.29 3.45 2.02 -1.98 0.08 112.91 118.01 1ur9 h THR 15 Ca -0.46 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1ur9 h THR 15 Cb 1.34 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1ur9 h THR 15 CO 0.55 0.09 -0.01 -1.13 0.37 0.00 0.00 175.52 175.39 1ur9 h ASN 16 N 0.50 0.41 0.59 4.18 -1.24 -1.96 -1.23 115.58 116.83 1ur9 h ASN 16 Ca 0.50 -0.07 -0.14 0.00 0.71 0.00 0.00 56.30 57.30 1ur9 h ASN 16 Cb 0.82 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.75 1ur9 h ASN 16 CO -0.44 0.48 -0.65 1.56 -1.29 0.00 0.00 177.43 177.09 1ur9 h GLN 17 N 0.43 0.05 0.08 6.67 4.20 -1.32 -2.74 115.11 122.49 1ur9 h GLN 17 Ca 0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ur9 h GLN 17 Cb 0.30 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ur9 h GLN 17 CO 0.01 0.68 -0.04 0.82 -0.67 0.00 0.00 178.83 179.63 1ur9 h ILE 18 N 0.04 1.16 -0.01 2.54 2.04 -0.65 -0.67 117.51 121.96 1ur9 h ILE 18 Ca -0.01 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1ur9 h ILE 18 Cb 1.15 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1ur9 h ILE 18 CO 0.09 0.23 0.05 0.78 0.00 0.00 0.00 178.15 179.30 1ur9 h ASN 19 N -0.55 0.00 0.00 1.72 2.35 -1.24 -0.95 115.58 116.91 1ur9 h ASN 19 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1ur9 h ASN 19 Cb 0.46 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 1ur9 h ASN 19 CO 0.02 0.00 -0.54 0.59 -1.65 0.00 0.00 177.43 175.85 1ur9 n ASN 20 N -3.25 1.63 -4.66 5.81 3.02 -1.04 -5.01 115.26 111.76 1ur9 n ASN 20 Ca -0.03 -3.51 -0.47 0.00 -0.03 0.00 0.00 54.58 50.55 1ur9 n ASN 20 Cb 0.12 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 1ur9 n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ur9 n TYR 21 N -0.88 2.15 -3.73 3.10 9.36 -0.27 -4.86 117.16 122.03 1ur9 n TYR 21 Ca 0.16 0.34 -0.14 0.00 3.32 0.00 0.00 57.90 61.59 1ur9 n TYR 21 Cb 0.76 -2.50 -0.09 0.00 -0.63 0.00 0.00 39.34 36.88 1ur9 n TYR 21 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1ur9 s THR 22 N 0.72 0.04 -0.53 2.97 -1.32 -1.26 -5.05 115.64 111.21 1ur9 s THR 22 Ca 0.78 -0.35 0.13 0.00 -1.21 0.00 0.00 61.69 61.05 1ur9 s THR 22 Cb -0.71 -0.64 0.40 0.00 -1.51 0.00 0.00 72.50 70.04 1ur9 s THR 22 CO 0.41 -0.19 1.33 -0.62 -2.21 0.00 0.00 174.62 173.33 1ur9 n GLU 23 N 1.50 2.88 -0.21 7.08 1.02 -1.26 -4.52 120.64 127.13 1ur9 n GLU 23 Ca -0.20 -2.42 0.05 0.00 -0.02 0.00 0.00 57.16 54.56 1ur9 n GLU 23 Cb 0.56 -1.54 0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1ur9 n GLU 23 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ur9 n THR 24 N -0.03 0.97 -3.31 2.62 -2.24 -1.26 -4.95 114.28 106.07 1ur9 n THR 24 Ca 0.16 -1.14 -0.11 0.00 -2.27 0.00 0.00 64.05 60.69 1ur9 n THR 24 Cb 0.65 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 1ur9 n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ur9 s ASP 25 N -1.77 0.46 0.34 3.42 -1.08 -1.26 -5.00 116.67 111.78 1ur9 s ASP 25 Ca 0.15 -0.84 0.26 0.00 -0.52 0.00 0.00 52.55 51.59 1ur9 s ASP 25 Cb 0.13 1.01 1.18 0.00 -1.46 0.00 0.00 42.92 43.78 1ur9 s ASP 25 CO 0.01 -0.30 1.78 0.71 0.52 0.00 0.00 175.17 177.89 1ur9 h THR 26 N 5.67 0.00 0.00 1.71 1.35 -1.90 -0.54 112.91 119.20 1ur9 h THR 26 Ca -0.03 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1ur9 h THR 26 Cb 1.10 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ur9 h THR 26 CO 0.23 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.27 1ur9 h SER 27 N 0.00 0.00 0.00 5.36 4.64 -1.94 -2.93 113.55 118.68 1ur9 h SER 27 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1ur9 h SER 27 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1ur9 h SER 27 CO 0.00 0.00 -2.42 0.52 -0.87 0.00 0.00 176.83 174.06 1ur9 n VAL 28 N -2.98 1.50 -3.84 0.95 0.31 -0.30 -4.83 118.33 109.14 1ur9 n VAL 28 Ca 0.02 -0.34 -0.30 0.00 -0.01 0.00 0.00 64.34 63.70 1ur9 n VAL 28 Cb 0.34 -1.91 -0.15 0.00 -0.91 0.00 0.00 33.84 31.22 1ur9 n VAL 28 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ur9 s VAL 29 N -2.53 1.55 0.37 2.52 1.01 -0.64 -4.80 120.40 117.88 1ur9 s VAL 29 Ca -0.38 -2.06 0.08 0.00 0.00 0.00 0.00 61.98 59.63 1ur9 s VAL 29 Cb 0.14 -2.14 0.31 0.00 0.00 0.00 0.00 36.38 34.69 1ur9 s VAL 29 CO 0.48 -0.70 1.94 -0.65 0.00 0.00 0.00 175.10 176.16 1ur9 h PRO 30 N 7.57 0.66 -2.46 2.72 0.11 -1.76 -3.35 132.00 135.49 1ur9 h PRO 30 Ca -0.08 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.40 1ur9 h PRO 30 Cb 0.99 -0.15 -0.39 0.00 0.11 0.00 0.00 31.00 31.57 1ur9 h PRO 30 CO 0.51 0.44 -0.92 0.12 -0.21 0.00 0.00 178.00 177.93 1ur9 s PHE 31 N -5.63 1.34 0.72 0.65 5.36 -1.26 -4.87 117.98 114.29 1ur9 s PHE 31 Ca -0.09 -2.40 -0.13 0.00 -0.96 0.00 0.00 56.93 53.35 1ur9 s PHE 31 Cb 0.20 -1.12 0.03 0.00 -0.34 0.00 0.00 43.02 41.79 1ur9 s PHE 31 CO 0.77 -0.80 1.11 -1.25 -1.46 0.00 0.00 175.22 173.60 1ur9 s PRO 32 N -0.04 2.44 0.62 10.12 0.04 -1.26 -4.89 135.00 142.03 1ur9 s PRO 32 Ca 0.31 1.35 0.35 0.00 0.04 0.00 0.00 61.00 63.05 1ur9 s PRO 32 Cb 0.01 -1.91 2.04 0.00 0.04 0.00 0.00 34.50 34.68 1ur9 s PRO 32 CO -0.18 -1.53 2.29 0.28 0.04 0.00 0.00 177.00 177.90 1ur9 h VAL 33 N -0.55 0.33 0.00 -0.36 2.07 -1.96 -1.14 116.25 114.64 1ur9 h VAL 33 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1ur9 h VAL 33 Cb 1.25 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1ur9 h VAL 33 CO 0.52 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.88 1ur9 h SER 34 N 0.00 0.00 0.54 0.57 4.64 -1.95 0.02 113.55 117.38 1ur9 h SER 34 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1ur9 h SER 34 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ur9 h SER 34 CO -0.00 0.00 -0.14 0.78 -0.87 0.00 0.00 176.83 176.60 1ur9 h ASN 35 N 0.00 0.00 -2.65 4.97 4.21 -1.56 -3.38 115.58 117.16 1ur9 h ASN 35 Ca 0.00 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.88 1ur9 h ASN 35 Cb 0.10 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 37.15 1ur9 h ASN 35 CO 0.00 0.14 0.54 -0.63 -1.29 0.00 0.00 177.43 176.18 1ur9 s ILE 36 N -4.01 4.35 0.80 2.81 1.01 -0.01 -4.99 121.20 121.17 1ur9 s ILE 36 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1ur9 s ILE 36 Cb 0.12 -4.68 0.09 0.00 0.01 0.00 0.00 42.46 38.00 1ur9 s ILE 36 CO 0.59 -1.45 1.15 0.42 0.00 0.00 0.00 174.94 175.65 1ur9 s THR 37 N 3.97 2.06 0.29 2.92 -4.23 -1.26 -4.81 115.64 114.59 1ur9 s THR 37 Ca 0.22 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1ur9 s THR 37 Cb -0.17 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1ur9 s THR 37 CO 0.09 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.40 1ur9 h PRO 38 N -1.01 1.01 -0.41 3.99 0.11 -1.96 0.20 132.00 133.93 1ur9 h PRO 38 Ca -0.45 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1ur9 h PRO 38 Cb 1.32 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1ur9 h PRO 38 CO 0.61 0.67 0.21 0.00 -0.21 0.00 0.00 178.00 179.29 1ur9 h ALA 39 N 1.51 0.52 -0.09 -0.75 0.00 -1.94 -2.16 119.26 116.35 1ur9 h ALA 39 Ca 0.43 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 1ur9 h ALA 39 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ur9 h ALA 39 CO -0.19 -0.14 -0.55 0.87 0.00 0.00 0.00 179.25 179.25 1ur9 h LYS 40 N 0.43 0.25 -0.31 0.00 1.57 -1.65 -2.96 116.57 113.90 1ur9 h LYS 40 Ca 0.17 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1ur9 h LYS 40 Cb 0.07 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1ur9 h LYS 40 CO -0.11 0.74 0.14 0.00 -0.57 0.00 0.00 179.45 179.64 1ur9 h ALA 41 N 1.23 1.66 0.00 3.86 0.00 -0.52 -0.60 119.26 124.89 1ur9 h ALA 41 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ur9 h ALA 41 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ur9 h ALA 41 CO 0.09 0.28 0.00 0.87 0.00 0.00 0.00 179.25 180.48 1ur9 h LYS 42 N 0.44 0.00 0.00 0.00 1.57 -1.23 -3.06 116.57 114.29 1ur9 h LYS 42 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1ur9 h LYS 42 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ur9 h LYS 42 CO -0.01 0.00 -0.28 1.04 -0.57 0.00 0.00 179.45 179.62 1ur9 n GLN 43 N -2.53 0.21 -4.05 3.15 6.02 -0.24 -4.85 117.38 115.09 1ur9 n GLN 43 Ca 0.03 0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.84 1ur9 n GLN 43 Cb 0.33 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 1ur9 n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ur9 s LEU 44 N -4.07 3.80 -0.11 1.08 1.43 -1.16 -4.70 118.68 114.95 1ur9 s LEU 44 Ca 0.09 -0.03 0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1ur9 s LEU 44 Cb 0.14 -2.47 -0.17 0.00 0.03 0.00 0.00 46.19 43.71 1ur9 s LEU 44 CO 0.64 0.16 0.10 0.35 0.23 0.00 0.00 176.35 177.83 1ur9 n THR 45 N 0.37 0.74 -3.84 5.49 -2.24 -0.05 -4.67 114.28 110.08 1ur9 n THR 45 Ca -0.09 -0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1ur9 n THR 45 Cb 0.52 -0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1ur9 n THR 45 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ur9 s HIS 46 N -2.45 -0.10 -0.13 4.78 3.76 -0.90 -1.44 115.29 118.81 1ur9 s HIS 46 Ca -0.06 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 1ur9 s HIS 46 Cb 0.05 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.77 1ur9 s HIS 46 CO 0.55 -0.18 -0.17 0.42 -0.85 0.00 0.00 174.74 174.51 1ur9 s ILE 47 N -0.53 1.73 -0.51 0.60 1.01 -0.15 -1.07 121.20 122.29 1ur9 s ILE 47 Ca -0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 1ur9 s ILE 47 Cb -0.04 -1.57 0.10 0.00 0.01 0.00 0.00 42.46 40.97 1ur9 s ILE 47 CO 0.01 0.49 0.45 0.20 0.00 0.00 0.00 174.94 176.08 1ur9 s ASN 48 N 1.06 6.15 0.13 3.58 0.01 0.17 -0.23 114.94 125.81 1ur9 s ASN 48 Ca -0.03 -1.58 -0.31 0.00 -0.71 0.00 0.00 52.86 50.22 1ur9 s ASN 48 Cb -0.14 -2.19 -0.10 0.00 0.41 0.00 0.00 41.25 39.23 1ur9 s ASN 48 CO -0.04 -0.76 1.61 0.12 -1.51 0.00 0.00 177.10 176.52 1ur9 s PHE 49 N 1.61 2.82 -0.05 2.20 5.36 0.19 -0.78 117.98 129.33 1ur9 s PHE 49 Ca 0.04 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 1ur9 s PHE 49 Cb -0.27 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 1ur9 s PHE 49 CO 0.04 -3.64 -0.16 -1.12 -1.46 0.00 0.00 175.22 168.89 1ur9 s SER 50 N 1.60 2.05 0.07 6.13 0.01 0.11 -0.25 113.70 123.40 1ur9 s SER 50 Ca 0.72 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.66 1ur9 s SER 50 Cb -0.43 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 1ur9 s SER 50 CO 0.32 0.11 -0.07 -0.36 0.41 0.00 0.00 173.24 173.64 1ur9 s PHE 51 N 0.27 0.78 0.43 2.43 0.08 -1.26 -2.66 117.98 118.05 1ur9 s PHE 51 Ca -0.09 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 56.35 1ur9 s PHE 51 Cb -0.13 -0.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1ur9 s PHE 51 CO 0.03 -0.11 0.56 -0.51 -0.10 0.00 0.00 175.22 175.08 1ur9 s LEU 52 N -2.28 3.58 0.00 -0.37 2.01 0.27 -4.80 118.68 117.09 1ur9 s LEU 52 Ca 0.01 -0.50 0.03 0.00 0.01 0.00 0.00 54.13 53.67 1ur9 s LEU 52 Cb -0.03 -2.50 -0.01 0.00 0.01 0.00 0.00 46.19 43.66 1ur9 s LEU 52 CO -0.02 -0.78 0.10 -0.67 1.01 0.00 0.00 176.35 175.99 1ur9 n ASP 53 N -1.83 0.24 -4.14 2.29 2.03 0.25 -1.61 116.55 113.79 1ur9 n ASP 53 Ca 0.08 -1.96 -0.30 0.00 0.52 0.00 0.00 54.79 53.12 1ur9 n ASP 53 Cb 0.60 0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 41.45 1ur9 n ASP 53 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ur9 s ILE 54 N -2.44 1.79 0.73 5.18 1.01 -1.26 -0.47 121.20 125.73 1ur9 s ILE 54 Ca 0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1ur9 s ILE 54 Cb 0.01 -1.59 0.13 0.00 0.01 0.00 0.00 42.46 41.02 1ur9 s ILE 54 CO 0.10 0.50 1.00 0.54 0.00 0.00 0.00 174.94 177.08 1ur9 s ASN 55 N 0.70 4.33 0.62 3.58 2.20 -0.52 -4.81 114.94 121.04 1ur9 s ASN 55 Ca -0.12 -0.31 0.41 0.00 -0.94 0.00 0.00 52.86 51.90 1ur9 s ASN 55 Cb -0.16 -0.08 2.12 0.00 -2.00 0.00 0.00 41.25 41.13 1ur9 s ASN 55 CO 0.02 -1.87 2.25 0.77 -2.94 0.00 0.00 177.10 175.33 1ur9 h SER 56 N -0.56 0.00 -0.01 3.54 4.64 -1.97 0.39 113.55 119.59 1ur9 h SER 56 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ur9 h SER 56 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ur9 h SER 56 CO 0.41 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.17 1ur9 n ASN 57 N -3.03 0.15 -2.95 4.97 5.15 -1.26 -4.88 115.26 113.41 1ur9 n ASN 57 Ca -0.02 -1.20 -0.19 0.00 -0.60 0.00 0.00 54.58 52.57 1ur9 n ASN 57 Cb 0.12 -0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.43 1ur9 n ASN 57 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ur9 n LEU 58 N -0.81 -3.06 -4.25 1.20 4.77 0.14 -5.02 117.00 109.97 1ur9 n LEU 58 Ca 0.20 -0.41 -0.20 0.00 -0.03 0.00 0.00 56.01 55.57 1ur9 n LEU 58 Cb 0.12 -2.56 -0.12 0.00 -2.33 0.00 0.00 43.42 38.53 1ur9 n LEU 58 CO 0.15 0.49 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.62 1ur9 s GLU 59 N -5.99 1.03 0.27 3.23 2.02 -1.25 -4.10 118.70 113.90 1ur9 s GLU 59 Ca 0.45 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 1ur9 s GLU 59 Cb -0.20 -1.06 -0.10 0.00 0.10 0.00 0.00 34.13 32.87 1ur9 s GLU 59 CO 0.55 0.22 1.44 0.00 0.02 0.00 0.00 175.26 177.50 1ur9 s ALA 61 N -0.17 -1.67 0.59 0.00 0.00 0.38 -4.87 121.76 116.02 1ur9 s ALA 61 Ca 0.58 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1ur9 s ALA 61 Cb -0.42 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1ur9 s ALA 61 CO 0.46 -0.66 1.04 -1.58 0.00 0.00 0.00 175.76 175.02 1ur9 s TRP 62 N -3.02 3.15 0.18 0.00 0.52 -1.26 -0.58 118.94 117.93 1ur9 s TRP 62 Ca -0.01 1.48 -0.33 0.00 0.02 0.00 0.00 56.10 57.25 1ur9 s TRP 62 Cb -0.01 -2.92 -0.13 0.00 -1.15 0.00 0.00 33.47 29.26 1ur9 s TRP 62 CO -0.07 -0.93 1.59 -3.47 0.02 0.00 0.00 176.95 174.09 1ur9 n ASP 63 N -2.12 3.22 0.05 2.95 -0.08 -1.26 -4.82 116.55 114.48 1ur9 n ASP 63 Ca 0.08 1.09 0.21 0.00 -1.51 0.00 0.00 54.79 54.66 1ur9 n ASP 63 Cb 0.53 -1.45 0.74 0.00 2.34 0.00 0.00 41.12 43.28 1ur9 n ASP 63 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ur9 h PRO 64 N 5.87 0.00 0.00 -0.67 0.11 -2.04 0.75 132.00 136.02 1ur9 h PRO 64 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ur9 h PRO 64 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ur9 h PRO 64 CO 0.88 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1ur9 n ALA 65 N -2.45 1.89 -2.29 -0.75 0.00 -1.26 -4.81 120.51 110.84 1ur9 n ALA 65 Ca 0.09 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1ur9 n ALA 65 Cb 0.64 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1ur9 n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ur9 s THR 66 N -3.04 3.70 -0.33 0.00 2.01 0.25 -4.96 115.64 113.28 1ur9 s THR 66 Ca 0.09 1.24 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 1ur9 s THR 66 Cb 0.12 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1ur9 s THR 66 CO 0.37 0.11 1.34 0.21 -0.69 0.00 0.00 174.62 175.95 1ur9 s ASN 67 N 0.99 6.58 0.22 3.53 2.47 -1.26 -4.90 114.94 122.57 1ur9 s ASN 67 Ca 0.60 1.12 -0.08 0.00 0.42 0.00 0.00 52.86 54.93 1ur9 s ASN 67 Cb -0.33 -2.54 0.26 0.00 -1.45 0.00 0.00 41.25 37.19 1ur9 s ASN 67 CO 0.30 -1.17 1.83 -0.78 -3.72 0.00 0.00 177.10 173.56 1ur9 h ASP 68 N 9.68 0.68 -0.18 -4.21 3.58 -1.95 -1.68 116.42 122.35 1ur9 h ASP 68 Ca -0.27 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.22 1ur9 h ASP 68 Cb 1.10 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 1ur9 h ASP 68 CO 1.05 0.45 0.05 0.00 -2.88 0.00 0.00 179.24 177.91 1ur9 h ALA 69 N 1.35 0.19 0.00 -0.78 0.00 -2.01 -1.90 119.26 116.11 1ur9 h ALA 69 Ca 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1ur9 h ALA 69 Cb 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ur9 h ALA 69 CO -0.16 -0.38 -0.21 0.87 0.00 0.00 0.00 179.25 179.37 1ur9 h LYS 70 N 0.13 0.00 0.04 0.00 1.79 -1.79 -2.86 116.57 113.88 1ur9 h LYS 70 Ca 0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1ur9 h LYS 70 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1ur9 h LYS 70 CO -0.09 0.21 -0.02 0.00 -1.08 0.00 0.00 179.45 178.48 1ur9 h ALA 71 N 1.79 -0.05 -0.38 3.86 0.00 -0.55 -2.08 119.26 121.85 1ur9 h ALA 71 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ur9 h ALA 71 Cb 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ur9 h ALA 71 CO 0.03 -0.38 0.10 0.00 0.00 0.00 0.00 179.25 179.00 1ur9 h ARG 72 N -0.35 0.55 -0.39 0.00 3.08 -1.34 -0.66 114.38 115.26 1ur9 h ARG 72 Ca -0.01 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1ur9 h ARG 72 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1ur9 h ARG 72 CO 0.01 0.50 0.14 0.22 -1.07 0.00 0.00 179.97 179.77 1ur9 h ASP 73 N 0.55 0.55 -0.37 7.04 3.58 -1.39 0.96 116.42 127.34 1ur9 h ASP 73 Ca 0.13 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1ur9 h ASP 73 Cb 0.19 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1ur9 h ASP 73 CO -0.01 0.59 0.12 0.58 -2.88 0.00 0.00 179.24 177.64 1ur9 h VAL 74 N 0.48 1.21 -0.75 2.25 2.07 -0.88 -1.15 116.25 119.48 1ur9 h VAL 74 Ca 0.13 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1ur9 h VAL 74 Cb 0.22 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1ur9 h VAL 74 CO -0.01 0.24 0.34 0.58 0.02 0.00 0.00 177.57 178.74 1ur9 h VAL 75 N 0.44 1.24 -0.26 2.57 2.07 -0.83 -2.34 116.25 119.14 1ur9 h VAL 75 Ca 0.12 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1ur9 h VAL 75 Cb 0.25 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1ur9 h VAL 75 CO -0.00 0.29 -0.12 0.78 0.02 0.00 0.00 177.57 178.54 1ur9 h ASN 76 N 1.06 0.42 -0.50 0.57 2.35 0.14 -0.81 115.58 118.81 1ur9 h ASN 76 Ca 0.26 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1ur9 h ASN 76 Cb 0.13 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1ur9 h ASN 76 CO -0.03 0.57 0.14 0.03 -1.65 0.00 0.00 177.43 176.49 1ur9 h ARG 77 N 0.41 0.85 -0.12 0.81 3.08 -0.70 0.16 114.38 118.86 1ur9 h ARG 77 Ca 0.08 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1ur9 h ARG 77 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ur9 h ARG 77 CO 0.03 0.77 -0.43 -0.07 -1.07 0.00 0.00 179.97 179.19 1ur9 h LEU 78 N 0.82 0.59 -1.47 3.04 3.38 -1.05 -3.21 115.31 117.41 1ur9 h LEU 78 Ca 0.18 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1ur9 h LEU 78 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ur9 h LEU 78 CO -0.00 1.10 -0.10 0.71 0.09 0.00 0.00 178.44 180.24 1ur9 h THR 79 N 0.12 0.27 0.00 0.22 1.35 -0.97 -1.73 112.91 112.17 1ur9 h THR 79 Ca -0.02 -0.71 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 1ur9 h THR 79 Cb 1.06 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1ur9 h THR 79 CO 0.09 0.09 -0.14 0.00 -0.25 0.00 0.00 175.52 175.31 1ur9 h ALA 80 N 1.90 1.30 0.00 6.62 0.00 -0.96 -1.89 119.26 126.23 1ur9 h ALA 80 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ur9 h ALA 80 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ur9 h ALA 80 CO 0.01 0.18 -0.04 -0.07 0.00 0.00 0.00 179.25 179.33 1ur9 h LEU 81 N 0.00 0.00 -2.56 0.00 3.38 -1.38 -2.05 115.31 112.70 1ur9 h LEU 81 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ur9 h LEU 81 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ur9 h LEU 81 CO 0.02 0.04 0.00 0.11 0.09 0.00 0.00 178.44 178.70 1ur9 h LYS 82 N 0.00 0.00 0.00 1.13 1.57 -1.49 -0.79 116.57 116.99 1ur9 h LYS 82 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ur9 h LYS 82 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ur9 h LYS 82 CO 0.01 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 178.81 1ur9 h ALA 83 N 2.00 1.37 -0.02 3.86 0.00 -1.56 -2.70 119.26 122.21 1ur9 h ALA 83 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ur9 h ALA 83 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ur9 h ALA 83 CO 0.00 0.10 -0.03 0.72 0.00 0.00 0.00 179.25 180.04 1ur9 n HIS 84 N -3.72 0.00 -3.21 0.00 8.25 -0.31 -4.85 115.22 111.39 1ur9 n HIS 84 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1ur9 n HIS 84 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1ur9 n HIS 84 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ur9 s ASN 85 N -1.73 -0.90 0.00 0.41 3.84 -1.02 -4.56 114.94 110.98 1ur9 s ASN 85 Ca 0.23 -0.03 0.06 0.00 0.21 0.00 0.00 52.86 53.33 1ur9 s ASN 85 Cb 0.17 1.70 0.27 0.00 -0.55 0.00 0.00 41.25 42.84 1ur9 s ASN 85 CO 0.27 -0.32 1.12 -0.81 -2.79 0.00 0.00 177.10 174.58 1ur9 n PRO 86 N 5.39 0.04 0.00 0.43 -0.04 -1.25 -1.45 135.00 138.11 1ur9 n PRO 86 Ca 0.03 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1ur9 n PRO 86 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1ur9 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ur9 n SER 87 N -1.41 0.46 -4.73 3.54 7.64 -1.26 -4.99 113.62 112.88 1ur9 n SER 87 Ca 0.02 -0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.13 1ur9 n SER 87 Cb 0.06 1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 1ur9 n SER 87 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ur9 s LEU 88 N -3.94 4.38 -0.06 -3.43 2.96 -0.53 -4.86 118.68 113.20 1ur9 s LEU 88 Ca -0.00 2.44 0.06 0.00 -0.22 0.00 0.00 54.13 56.41 1ur9 s LEU 88 Cb 0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 1ur9 s LEU 88 CO 0.87 -0.66 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.88 1ur9 s ARG 89 N 0.61 2.56 -0.44 1.98 0.52 -0.52 -4.88 118.95 118.78 1ur9 s ARG 89 Ca 0.63 -0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 54.86 1ur9 s ARG 89 Cb -0.39 -2.20 0.08 0.00 0.52 0.00 0.00 34.95 32.97 1ur9 s ARG 89 CO 0.34 0.41 0.30 0.42 0.02 0.00 0.00 175.30 176.78 1ur9 s ILE 90 N -0.22 4.43 0.49 1.52 -1.09 -1.26 -0.97 121.20 124.10 1ur9 s ILE 90 Ca -0.02 -1.37 0.02 0.00 -2.23 0.00 0.00 60.65 57.05 1ur9 s ILE 90 Cb -0.13 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1ur9 s ILE 90 CO 0.03 -0.55 0.70 -0.04 -1.23 0.00 0.00 174.94 173.85 1ur9 s MET 91 N 1.46 2.80 0.03 2.79 -1.94 0.68 0.46 119.30 125.58 1ur9 s MET 91 Ca 0.03 -0.72 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1ur9 s MET 91 Cb -0.24 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 1ur9 s MET 91 CO 0.03 -0.46 -0.23 -0.59 -0.01 0.00 0.00 175.02 173.76 1ur9 s PHE 92 N -2.62 1.99 -0.13 -0.03 -0.71 -1.06 -0.63 117.98 114.80 1ur9 s PHE 92 Ca 0.53 -0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 56.01 1ur9 s PHE 92 Cb -0.10 -1.21 -0.03 0.00 -1.21 0.00 0.00 43.02 40.47 1ur9 s PHE 92 CO 0.37 0.07 -0.03 0.45 -1.34 0.00 0.00 175.22 174.74 1ur9 s SER 93 N -1.05 4.86 -0.26 1.98 0.15 0.65 -1.07 113.70 118.96 1ur9 s SER 93 Ca 0.09 -0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.58 1ur9 s SER 93 Cb -0.09 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1ur9 s SER 93 CO 0.01 0.23 0.13 -0.63 1.20 0.00 0.00 173.24 174.18 1ur9 s ILE 94 N 0.01 4.80 0.00 6.45 1.01 0.40 -0.56 121.20 133.32 1ur9 s ILE 94 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1ur9 s ILE 94 Cb -0.13 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1ur9 s ILE 94 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1ur9 n GLY 95 N 4.96 0.37 0.00 6.18 0.00 -0.63 0.09 105.19 116.14 1ur9 n GLY 95 Ca -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1ur9 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur9 n GLY 96 N 0.00 0.87 0.12 -0.02 0.00 0.27 -4.34 105.19 102.09 1ur9 n GLY 96 Ca 0.00 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 1ur9 n GLY 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1ur9 h TRP 97 N 0.00 -0.19 -0.46 1.61 2.91 -1.95 -2.18 115.95 115.69 1ur9 h TRP 97 Ca 0.00 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.10 1ur9 h TRP 97 Cb 0.00 0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 28.64 1ur9 h TRP 97 CO 0.00 0.03 0.00 -0.92 -1.03 0.00 0.00 178.44 176.52 1ur9 h TYR 98 N -0.38 -0.02 0.08 2.65 3.20 -1.98 -1.99 116.97 118.53 1ur9 h TYR 98 Ca -0.02 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.60 1ur9 h TYR 98 Cb 0.30 0.08 0.02 0.00 1.54 0.00 0.00 36.73 38.68 1ur9 h TYR 98 CO -0.01 -0.10 -1.18 1.88 -1.64 0.00 0.00 178.16 177.11 1ur9 h TYR 99 N 0.12 0.96 -0.01 -3.82 0.05 -1.75 -3.21 116.97 109.31 1ur9 h TYR 99 Ca 0.23 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1ur9 h TYR 99 Cb 0.34 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1ur9 h TYR 99 CO -0.29 1.42 -0.18 -1.13 -1.05 0.00 0.00 178.16 176.93 1ur9 n SER 100 N -3.79 1.82 -4.68 3.88 3.41 -0.82 -1.67 113.62 111.77 1ur9 n SER 100 Ca -0.12 -1.41 -0.30 0.00 -0.26 0.00 0.00 58.87 56.77 1ur9 n SER 100 Cb 0.95 0.28 0.16 0.00 -0.26 0.00 0.00 64.21 65.34 1ur9 n SER 100 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ur9 s ASN 101 N -1.56 3.09 0.37 4.04 2.20 -0.76 -4.16 114.94 118.17 1ur9 s ASN 101 Ca 0.14 1.93 0.18 0.00 -0.94 0.00 0.00 52.86 54.18 1ur9 s ASN 101 Cb 0.12 -2.48 1.15 0.00 -2.00 0.00 0.00 41.25 38.04 1ur9 s ASN 101 CO 0.29 -2.95 1.69 0.44 -2.94 0.00 0.00 177.10 173.63 1ur9 h ASP 102 N -1.76 0.46 -0.45 3.54 5.19 -1.92 0.23 116.42 121.70 1ur9 h ASP 102 Ca -0.46 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1ur9 h ASP 102 Cb 1.27 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1ur9 h ASP 102 CO 0.46 -0.07 0.00 0.18 -3.12 0.00 0.00 179.24 176.69 1ur9 n LEU 103 N -4.86 4.76 -4.80 1.55 4.77 -1.26 -4.83 117.00 112.32 1ur9 n LEU 103 Ca 0.31 -2.86 -0.31 0.00 -0.03 0.00 0.00 56.01 53.12 1ur9 n LEU 103 Cb 1.04 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1ur9 n LEU 103 CO 0.16 0.68 0.71 -0.83 -1.33 0.00 0.00 177.39 176.78 1ur9 s GLY 104 N -1.27 1.65 0.63 -0.72 0.00 0.79 -4.95 107.32 103.46 1ur9 s GLY 104 Ca 0.48 -0.02 0.37 0.00 0.00 0.00 0.00 44.72 45.55 1ur9 s GLY 104 CO 0.14 0.35 2.29 -0.39 0.00 0.00 0.00 173.10 175.50 1ur9 h VAL 105 N -0.95 0.23 0.00 1.40 -1.51 -1.63 -2.98 116.25 110.81 1ur9 h VAL 105 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1ur9 h VAL 105 Cb 1.24 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1ur9 h VAL 105 CO 0.57 0.00 -0.15 -1.20 -1.23 0.00 0.00 177.57 175.57 1ur9 n SER 106 N -3.41 1.21 -0.26 4.19 7.64 -0.67 -4.88 113.62 117.44 1ur9 n SER 106 Ca -0.03 -2.22 0.05 0.00 1.01 0.00 0.00 58.87 57.69 1ur9 n SER 106 Cb 0.11 -0.21 0.19 0.00 -1.01 0.00 0.00 64.21 63.28 1ur9 n SER 106 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ur9 h HIS 107 N 0.00 0.54 -0.74 1.43 6.17 -1.39 -1.16 115.15 120.00 1ur9 h HIS 107 Ca 0.00 0.04 0.08 0.00 0.71 0.00 0.00 60.37 61.20 1ur9 h HIS 107 Cb 1.02 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 30.77 1ur9 h HIS 107 CO 0.03 0.09 0.49 0.00 0.71 0.00 0.00 177.93 179.24 1ur9 h ALA 108 N 1.54 1.77 -0.60 5.26 0.00 -1.90 -1.49 119.26 123.83 1ur9 h ALA 108 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ur9 h ALA 108 Cb 0.61 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ur9 h ALA 108 CO -0.39 0.09 0.30 -0.91 0.00 0.00 0.00 179.25 178.34 1ur9 h ASN 109 N 0.70 0.76 -0.06 0.00 2.35 -1.52 0.13 115.58 117.94 1ur9 h ASN 109 Ca 0.33 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1ur9 h ASN 109 Cb 0.38 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1ur9 h ASN 109 CO -0.12 0.64 -0.06 1.88 -1.65 0.00 0.00 177.43 178.13 1ur9 h TYR 110 N 0.85 0.18 -0.81 1.19 -1.99 -1.27 -1.73 116.97 113.38 1ur9 h TYR 110 Ca 0.21 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.90 1ur9 h TYR 110 Cb 0.08 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 1ur9 h TYR 110 CO 0.01 0.59 0.53 0.28 -0.00 0.00 0.00 178.16 179.57 1ur9 h VAL 111 N -0.28 1.18 0.00 -2.88 2.07 -1.26 -3.05 116.25 112.05 1ur9 h VAL 111 Ca 0.01 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 1ur9 h VAL 111 Cb 0.55 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1ur9 h VAL 111 CO 0.01 0.20 -0.89 0.78 0.02 0.00 0.00 177.57 177.69 1ur9 h ASN 112 N 1.07 0.03 0.18 0.57 2.35 -1.00 -3.27 115.58 115.52 1ur9 h ASN 112 Ca 0.31 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1ur9 h ASN 112 Cb -0.09 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1ur9 h ASN 112 CO -0.08 0.91 -0.23 0.00 -1.65 0.00 0.00 177.43 176.38 1ur9 h ALA 113 N 1.09 1.51 -0.07 -0.83 0.00 -1.20 -2.86 119.26 116.90 1ur9 h ALA 113 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ur9 h ALA 113 Cb 1.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1ur9 h ALA 113 CO 0.12 0.36 0.00 1.33 0.00 0.00 0.00 179.25 181.06 1ur9 n VAL 114 N -4.23 0.07 -0.19 0.00 0.24 -1.19 -2.67 118.33 110.37 1ur9 n VAL 114 Ca -0.02 -0.35 -0.07 0.00 -2.04 0.00 0.00 64.34 61.87 1ur9 n VAL 114 Cb 0.31 0.70 0.02 0.00 -1.47 0.00 0.00 33.84 33.40 1ur9 n VAL 114 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1ur9 h LYS 115 N 2.92 0.73 -5.16 7.34 1.57 -1.58 -3.41 116.57 118.99 1ur9 h LYS 115 Ca 0.00 -0.07 -0.41 0.00 -1.87 0.00 0.00 60.65 58.30 1ur9 h LYS 115 Cb 0.62 -0.15 -0.14 0.00 0.08 0.00 0.00 32.23 32.64 1ur9 h LYS 115 CO 0.00 0.53 -0.64 0.95 -0.57 0.00 0.00 179.45 179.72 1ur9 s THR 116 N -5.99 1.11 0.30 -0.16 -4.23 -1.26 -4.96 115.64 100.46 1ur9 s THR 116 Ca -0.13 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1ur9 s THR 116 Cb 0.12 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.74 1ur9 s THR 116 CO 0.75 -0.22 1.93 -0.65 -0.54 0.00 0.00 174.62 175.90 1ur9 h PRO 117 N 2.35 1.02 -0.05 3.99 0.11 -1.96 0.16 132.00 137.63 1ur9 h PRO 117 Ca -0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1ur9 h PRO 117 Cb 1.23 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ur9 h PRO 117 CO 0.66 0.68 0.00 0.00 -0.21 0.00 0.00 178.00 179.13 1ur9 h ALA 118 N 1.50 0.07 -0.60 -0.75 0.00 -1.96 -0.72 119.26 116.80 1ur9 h ALA 118 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1ur9 h ALA 118 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ur9 h ALA 118 CO -0.11 -0.27 0.15 0.66 0.00 0.00 0.00 179.25 179.68 1ur9 h SER 119 N -0.20 0.90 -0.70 0.00 4.64 -1.70 -1.10 113.55 115.39 1ur9 h SER 119 Ca 0.01 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1ur9 h SER 119 Cb 0.32 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1ur9 h SER 119 CO 0.00 0.89 0.38 0.03 -0.87 0.00 0.00 176.83 177.26 1ur9 h ARG 120 N 0.86 0.98 -0.28 4.77 3.08 -0.47 0.90 114.38 124.22 1ur9 h ARG 120 Ca 0.19 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1ur9 h ARG 120 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1ur9 h ARG 120 CO 0.00 0.74 0.13 0.00 -1.07 0.00 0.00 179.97 179.77 1ur9 h ALA 121 N 1.19 0.36 -0.57 0.04 0.00 -0.92 0.24 119.26 119.61 1ur9 h ALA 121 Ca 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ur9 h ALA 121 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ur9 h ALA 121 CO -0.04 -0.06 0.22 -0.22 0.00 0.00 0.00 179.25 179.14 1ur9 h LYS 122 N 0.32 0.86 0.05 0.00 3.64 -0.81 -1.41 116.57 119.21 1ur9 h LYS 122 Ca 0.10 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ur9 h LYS 122 Cb 0.14 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ur9 h LYS 122 CO -0.01 0.75 -0.03 0.35 -2.27 0.00 0.00 179.45 178.24 1ur9 h PHE 123 N 0.78 -0.07 -0.52 1.91 3.57 -0.68 -1.83 116.94 120.10 1ur9 h PHE 123 Ca 0.19 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1ur9 h PHE 123 Cb 0.22 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1ur9 h PHE 123 CO 0.01 0.24 0.20 0.00 -2.23 0.00 0.00 178.31 176.53 1ur9 h ALA 124 N 0.55 0.66 -0.81 2.41 0.00 -0.47 -1.19 119.26 120.40 1ur9 h ALA 124 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ur9 h ALA 124 Cb 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1ur9 h ALA 124 CO 0.01 -0.19 0.51 1.96 0.00 0.00 0.00 179.25 181.54 1ur9 h GLN 125 N 0.39 0.94 -0.39 0.00 4.20 -1.17 -1.57 115.11 117.51 1ur9 h GLN 125 Ca 0.25 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1ur9 h GLN 125 Cb 0.26 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ur9 h GLN 125 CO -0.24 0.62 0.11 0.66 -0.67 0.00 0.00 178.83 179.31 1ur9 h SER 126 N 0.97 0.52 -0.34 1.46 4.64 -0.37 0.07 113.55 120.49 1ur9 h SER 126 Ca 0.34 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 1ur9 h SER 126 Cb 0.08 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1ur9 h SER 126 CO -0.14 0.52 0.05 0.00 -0.87 0.00 0.00 176.83 176.39 1ur9 h VAL 128 N 0.41 1.27 -0.32 0.00 2.07 -1.00 -1.16 116.25 117.51 1ur9 h VAL 128 Ca 0.10 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1ur9 h VAL 128 Cb 0.37 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1ur9 h VAL 128 CO 0.01 0.44 0.13 -0.09 0.02 0.00 0.00 177.57 178.08 1ur9 h ARG 129 N 0.85 0.48 -0.63 1.57 2.43 -0.80 -1.50 114.38 116.78 1ur9 h ARG 129 Ca 0.13 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ur9 h ARG 129 Cb 0.66 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1ur9 h ARG 129 CO 0.05 0.48 0.40 0.82 -1.51 0.00 0.00 179.97 180.21 1ur9 h ILE 130 N 0.38 1.17 -0.24 1.20 1.08 -0.96 0.15 117.51 120.29 1ur9 h ILE 130 Ca 0.11 -0.33 0.04 0.00 -0.39 0.00 0.00 64.86 64.28 1ur9 h ILE 130 Cb 0.18 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.16 1ur9 h ILE 130 CO -0.01 0.17 0.01 -0.03 -0.69 0.00 0.00 178.15 177.60 1ur9 h MET 131 N 0.85 0.09 -0.15 2.37 4.05 -0.91 -1.62 114.93 119.60 1ur9 h MET 131 Ca 0.23 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.47 1ur9 h MET 131 Cb -0.07 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1ur9 h MET 131 CO -0.05 0.06 -0.62 0.87 0.23 0.00 0.00 176.91 177.40 1ur9 h LYS 132 N 0.09 0.54 -0.62 0.39 1.79 -0.98 -0.53 116.57 117.26 1ur9 h LYS 132 Ca 0.11 -0.38 -0.06 0.00 -2.18 0.00 0.00 60.65 58.15 1ur9 h LYS 132 Cb 0.14 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1ur9 h LYS 132 CO -0.18 1.00 0.16 0.22 -1.08 0.00 0.00 179.45 179.56 1ur9 h ASP 133 N 0.40 0.94 0.14 0.86 3.58 -0.44 -3.23 116.42 118.67 1ur9 h ASP 133 Ca -0.01 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1ur9 h ASP 133 Cb 1.18 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1ur9 h ASP 133 CO 0.12 0.92 -0.76 -1.22 -2.88 0.00 0.00 179.24 175.42 1ur9 n TYR 134 N -4.34 0.00 -0.49 0.28 4.02 -0.63 -4.99 117.16 111.01 1ur9 n TYR 134 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1ur9 n TYR 134 Cb 0.24 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1ur9 n TYR 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ur9 n GLY 135 N 1.48 0.82 3.87 2.72 0.00 -0.61 -4.79 105.19 108.68 1ur9 n GLY 135 Ca 0.06 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1ur9 n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ur9 s PHE 136 N -2.00 3.44 -1.60 1.61 0.08 -0.31 -4.93 117.98 114.27 1ur9 s PHE 136 Ca 0.00 1.17 0.14 0.00 0.12 0.00 0.00 56.93 58.36 1ur9 s PHE 136 Cb 0.00 -2.91 0.18 0.00 -0.57 0.00 0.00 43.02 39.72 1ur9 s PHE 136 CO 0.00 -0.98 1.04 -0.25 -0.10 0.00 0.00 175.22 174.93 1ur9 n ASP 137 N -2.91 2.43 0.00 1.36 8.00 0.17 -4.68 116.55 120.93 1ur9 n ASP 137 Ca 0.07 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.87 1ur9 n ASP 137 Cb 0.56 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1ur9 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ur9 n GLY 138 N 0.79 -0.31 3.17 0.44 0.00 -1.26 -2.76 105.19 105.26 1ur9 n GLY 138 Ca 0.10 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1ur9 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ur9 s VAL 139 N -2.00 1.78 -0.11 1.61 1.01 0.10 -2.55 120.40 120.24 1ur9 s VAL 139 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1ur9 s VAL 139 Cb 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1ur9 s VAL 139 CO 0.00 0.50 -0.20 -0.62 0.00 0.00 0.00 175.10 174.78 1ur9 s ASP 140 N 0.37 3.45 -0.22 3.32 2.15 -0.23 -0.12 116.67 125.39 1ur9 s ASP 140 Ca -0.16 -0.47 -0.06 0.00 0.43 0.00 0.00 52.55 52.29 1ur9 s ASP 140 Cb -0.17 -1.47 -0.03 0.00 -0.30 0.00 0.00 42.92 40.95 1ur9 s ASP 140 CO 0.07 0.17 0.04 -0.63 -0.17 0.00 0.00 175.17 174.64 1ur9 s ILE 141 N 0.32 4.24 -0.59 4.11 -1.09 -0.16 -0.45 121.20 127.59 1ur9 s ILE 141 Ca -0.15 -0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 1ur9 s ILE 141 Cb -0.17 -2.95 0.30 0.00 -1.58 0.00 0.00 42.46 38.07 1ur9 s ILE 141 CO 0.08 0.40 0.84 -3.20 -1.23 0.00 0.00 174.94 171.82 1ur9 n ASN 142 N 4.41 3.88 -4.64 3.58 4.05 0.11 -1.76 115.26 124.89 1ur9 n ASN 142 Ca -0.17 -3.52 -0.41 0.00 0.45 0.00 0.00 54.58 50.93 1ur9 n ASN 142 Cb 0.52 -0.61 -0.05 0.00 1.23 0.00 0.00 39.78 40.87 1ur9 n ASN 142 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 1ur9 s TRP 143 N -2.95 3.32 -0.70 1.20 -0.11 -1.26 -0.56 118.94 117.87 1ur9 s TRP 143 Ca 0.44 1.00 0.00 0.00 1.22 0.00 0.00 56.10 58.77 1ur9 s TRP 143 Cb 0.23 -2.94 0.18 0.00 -1.50 0.00 0.00 33.47 29.44 1ur9 s TRP 143 CO -0.08 -0.32 0.52 -1.21 -4.62 0.00 0.00 176.95 171.23 1ur9 s GLU 144 N 2.52 2.66 0.02 5.86 2.02 -1.26 -4.22 118.70 126.30 1ur9 s GLU 144 Ca 0.31 -2.95 -0.16 0.00 0.02 0.00 0.00 54.97 52.20 1ur9 s GLU 144 Cb -0.16 -3.66 0.03 0.00 0.10 0.00 0.00 34.13 30.44 1ur9 s GLU 144 CO 0.09 -1.21 0.34 0.71 0.02 0.00 0.00 175.26 175.21 1ur9 s TYR 145 N -0.79 -0.19 0.66 1.61 1.51 -1.26 -3.68 117.35 115.22 1ur9 s TYR 145 Ca 0.22 0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 56.30 1ur9 s TYR 145 Cb -0.14 0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.85 1ur9 s TYR 145 CO -0.08 -0.48 1.13 -2.14 -1.11 0.00 0.00 175.55 172.87 1ur9 s PRO 146 N -2.05 2.71 0.08 -1.71 0.02 -1.26 -4.93 135.00 127.86 1ur9 s PRO 146 Ca -0.08 1.50 0.04 0.00 0.02 0.00 0.00 61.00 62.47 1ur9 s PRO 146 Cb -0.02 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1ur9 s PRO 146 CO 0.00 -1.34 -0.10 1.14 -0.33 0.00 0.00 177.00 176.36 1ur9 s GLN 147 N -3.96 0.75 0.00 5.54 -2.07 -1.26 -4.56 119.66 114.09 1ur9 s GLN 147 Ca 0.69 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 1ur9 s GLN 147 Cb -0.23 -0.54 0.00 0.00 -1.09 0.00 0.00 33.01 31.15 1ur9 s GLN 147 CO 0.41 0.10 0.00 0.00 -1.32 0.00 0.00 175.29 174.48 1ur9 n ALA 148 N 0.98 0.00 0.18 2.60 0.00 -0.88 0.19 120.51 123.59 1ur9 n ALA 148 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1ur9 n ALA 148 Cb 0.56 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.70 1ur9 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur9 h ALA 149 N 0.00 2.09 -0.00 0.00 0.00 -1.95 -2.45 119.26 116.94 1ur9 h ALA 149 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ur9 h ALA 149 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ur9 h ALA 149 CO 0.00 -0.22 -0.52 0.39 0.00 0.00 0.00 179.25 178.91 1ur9 n GLU 150 N -4.36 0.04 -0.23 0.00 1.02 0.52 -4.43 120.64 113.19 1ur9 n GLU 150 Ca 0.01 -0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.05 1ur9 n GLU 150 Cb 0.26 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1ur9 n GLU 150 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ur9 h VAL 151 N 0.06 1.25 -0.62 2.62 2.07 -1.50 -1.98 116.25 118.16 1ur9 h VAL 151 Ca 0.00 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1ur9 h VAL 151 Cb 0.50 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1ur9 h VAL 151 CO 0.00 0.33 0.29 0.44 0.02 0.00 0.00 177.57 178.64 1ur9 h ASP 152 N 0.92 0.79 -0.39 0.57 3.32 -1.77 0.47 116.42 120.34 1ur9 h ASP 152 Ca 0.21 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1ur9 h ASP 152 Cb 0.29 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1ur9 h ASP 152 CO -0.01 0.68 -0.34 1.23 -1.72 0.00 0.00 179.24 179.08 1ur9 h GLY 153 N 0.97 1.00 0.67 2.75 0.00 -1.72 -1.54 103.07 105.19 1ur9 h GLY 153 Ca 0.21 -1.00 0.03 0.00 0.00 0.00 0.00 47.33 46.57 1ur9 h GLY 153 CO -0.03 0.90 -0.08 -2.75 0.00 0.00 0.00 176.54 174.58 1ur9 h PHE 154 N 0.73 -0.20 -0.16 5.60 3.57 -0.76 0.13 116.94 125.85 1ur9 h PHE 154 Ca 0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1ur9 h PHE 154 Cb 0.94 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1ur9 h PHE 154 CO 0.06 -0.13 -0.05 0.82 -2.23 0.00 0.00 178.31 176.78 1ur9 h ILE 155 N -0.10 0.82 -0.48 1.41 2.04 -0.83 -0.56 117.51 119.80 1ur9 h ILE 155 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1ur9 h ILE 155 Cb 0.20 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1ur9 h ILE 155 CO -0.15 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.31 1ur9 h ALA 156 N 1.13 1.65 -0.36 1.87 0.00 -0.84 -0.42 119.26 122.30 1ur9 h ALA 156 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ur9 h ALA 156 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ur9 h ALA 156 CO -0.17 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 1ur9 h ALA 157 N 1.70 0.49 -0.74 0.00 0.00 0.15 -1.02 119.26 119.84 1ur9 h ALA 157 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ur9 h ALA 157 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ur9 h ALA 157 CO -0.04 0.30 0.32 -0.07 0.00 0.00 0.00 179.25 179.76 1ur9 h LEU 158 N 0.46 0.99 -0.90 0.00 3.38 -0.43 -0.45 115.31 118.36 1ur9 h LEU 158 Ca 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1ur9 h LEU 158 Cb 0.53 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ur9 h LEU 158 CO 0.03 0.87 0.16 1.56 0.09 0.00 0.00 178.44 181.15 1ur9 h GLN 159 N 1.04 0.97 -0.31 1.13 1.08 -0.90 -0.85 115.11 117.28 1ur9 h GLN 159 Ca 0.25 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1ur9 h GLN 159 Cb 0.17 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1ur9 h GLN 159 CO -0.03 0.86 -0.14 1.49 -0.95 0.00 0.00 178.83 180.06 1ur9 h GLU 160 N 0.93 0.64 -0.91 1.46 4.57 -0.76 -2.08 114.58 118.43 1ur9 h GLU 160 Ca 0.20 -0.28 0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1ur9 h GLU 160 Cb 0.31 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 1ur9 h GLU 160 CO -0.00 0.86 0.58 0.82 -1.18 0.00 0.00 179.01 180.08 1ur9 h ILE 161 N 0.40 1.07 -0.47 2.32 2.04 -0.81 -1.61 117.51 120.46 1ur9 h ILE 161 Ca 0.07 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1ur9 h ILE 161 Cb 0.66 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1ur9 h ILE 161 CO 0.04 0.19 0.29 -0.09 0.00 0.00 0.00 178.15 178.59 1ur9 h ARG 162 N 1.06 0.57 -0.25 2.37 9.65 -0.90 0.22 114.38 127.10 1ur9 h ARG 162 Ca 0.39 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1ur9 h ARG 162 Cb 0.14 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1ur9 h ARG 162 CO -0.16 0.38 0.15 1.15 2.80 0.00 0.00 179.97 184.28 1ur9 h THR 163 N 0.59 1.10 -0.31 0.20 2.02 -0.73 -1.72 112.91 114.05 1ur9 h THR 163 Ca 0.18 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1ur9 h THR 163 Cb -0.02 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1ur9 h THR 163 CO -0.07 0.10 -0.08 -0.07 0.37 0.00 0.00 175.52 175.77 1ur9 h LEU 164 N 0.31 0.49 -0.21 2.58 3.38 -0.92 -2.30 115.31 118.65 1ur9 h LEU 164 Ca 0.09 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1ur9 h LEU 164 Cb 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ur9 h LEU 164 CO -0.02 0.62 -0.18 -0.07 0.09 0.00 0.00 178.44 178.89 1ur9 h LEU 165 N 0.48 0.51 -1.47 1.67 3.38 -0.70 -1.01 115.31 118.17 1ur9 h LEU 165 Ca 0.09 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1ur9 h LEU 165 Cb 0.44 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ur9 h LEU 165 CO 0.02 0.87 0.32 0.78 0.09 0.00 0.00 178.44 180.52 1ur9 h ASN 166 N 0.16 0.59 -0.02 -0.43 4.21 -1.18 0.16 115.58 119.07 1ur9 h ASN 166 Ca 0.04 -0.02 -0.19 0.00 1.21 0.00 0.00 56.30 57.33 1ur9 h ASN 166 Cb 0.71 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1ur9 h ASN 166 CO 0.05 0.44 -0.68 -0.61 -1.29 0.00 0.00 177.43 175.34 1ur9 h GLN 167 N 0.69 0.65 -0.20 0.81 5.75 -1.30 -2.44 115.11 119.07 1ur9 h GLN 167 Ca 0.18 -0.48 -0.09 0.00 -0.15 0.00 0.00 58.65 58.11 1ur9 h GLN 167 Cb -0.05 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1ur9 h GLN 167 CO -0.04 1.10 -0.25 0.37 -2.65 0.00 0.00 178.83 177.37 1ur9 h GLN 168 N 0.47 0.37 -0.05 1.69 5.75 0.02 0.39 115.11 123.74 1ur9 h GLN 168 Ca -0.02 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1ur9 h GLN 168 Cb 1.27 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.79 1ur9 h GLN 168 CO 0.13 0.60 0.02 1.15 -2.65 0.00 0.00 178.83 178.08 1ur9 h THR 169 N 0.33 1.16 -0.10 2.39 2.02 -0.57 0.91 112.91 119.05 1ur9 h THR 169 Ca 0.05 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1ur9 h THR 169 Cb 0.62 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1ur9 h THR 169 CO 0.04 0.13 0.03 0.40 0.37 0.00 0.00 175.52 176.49 1ur9 h ILE 170 N -0.10 1.19 -0.82 3.11 2.04 -1.23 0.23 117.51 121.94 1ur9 h ILE 170 Ca 0.02 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.40 1ur9 h ILE 170 Cb 0.19 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1ur9 h ILE 170 CO -0.00 0.17 0.53 0.74 0.00 0.00 0.00 178.15 179.59 1ur9 h THR 171 N -0.03 0.94 -0.10 -0.27 2.02 -0.86 -1.43 112.91 113.18 1ur9 h THR 171 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1ur9 h THR 171 Cb 0.24 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1ur9 h THR 171 CO -0.00 0.14 0.00 0.47 0.37 0.00 0.00 175.52 176.50 1ur9 n ASP 172 N -4.51 2.22 -2.87 4.18 8.00 0.31 -4.94 116.55 118.93 1ur9 n ASP 172 Ca 0.14 -1.75 -0.21 0.00 0.71 0.00 0.00 54.79 53.68 1ur9 n ASP 172 Cb 0.34 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1ur9 n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ur9 n GLY 173 N 1.26 -0.46 1.77 0.44 0.00 -0.19 -4.90 105.19 103.11 1ur9 n GLY 173 Ca 0.17 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1ur9 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur9 n ARG 174 N -3.87 2.50 -0.13 1.61 5.12 0.65 -4.58 116.66 117.97 1ur9 n ARG 174 Ca -0.11 -2.20 0.26 0.00 -1.93 0.00 0.00 57.85 53.87 1ur9 n ARG 174 Cb 0.62 -1.91 0.71 0.00 -1.16 0.00 0.00 32.46 30.71 1ur9 n ARG 174 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1ur9 h GLN 175 N 1.39 0.00 0.00 5.56 7.50 -1.91 0.11 115.11 127.76 1ur9 h GLN 175 Ca 0.32 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.41 1ur9 h GLN 175 Cb 2.11 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.63 1ur9 h GLN 175 CO 0.66 0.00 -0.27 0.00 -1.50 0.00 0.00 178.83 177.73 1ur9 h ALA 176 N 1.61 0.89 -1.36 3.87 0.00 -1.97 -3.37 119.26 118.93 1ur9 h ALA 176 Ca 0.37 -0.24 -0.43 0.00 0.00 0.00 0.00 54.91 54.61 1ur9 h ALA 176 Cb 1.50 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.95 1ur9 h ALA 176 CO -0.01 0.33 -0.86 -0.11 0.00 0.00 0.00 179.25 178.61 1ur9 n LEU 177 N -3.25 -1.12 -4.63 0.00 7.94 0.20 -5.11 117.00 111.03 1ur9 n LEU 177 Ca 0.02 -4.10 -0.41 0.00 -1.11 0.00 0.00 56.01 50.41 1ur9 n LEU 177 Cb 0.56 0.70 0.01 0.00 0.53 0.00 0.00 43.42 45.22 1ur9 n LEU 177 CO 0.36 2.01 0.65 -2.65 -1.11 0.00 0.00 177.39 176.65 1ur9 n PRO 178 N 1.77 1.46 -2.06 1.96 -0.02 -0.24 -4.90 135.00 132.97 1ur9 n PRO 178 Ca 0.18 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 1ur9 n PRO 178 Cb 0.56 -2.11 -0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1ur9 n PRO 178 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ur9 s TYR 179 N -1.26 2.80 0.29 6.00 2.02 -1.26 -4.99 117.35 120.95 1ur9 s TYR 179 Ca 0.63 1.42 0.11 0.00 -0.37 0.00 0.00 57.07 58.86 1ur9 s TYR 179 Cb -0.55 -3.65 -0.05 0.00 -0.40 0.00 0.00 41.96 37.31 1ur9 s TYR 179 CO 0.57 -2.08 -0.15 -0.65 -1.57 0.00 0.00 175.55 171.67 1ur9 s GLN 180 N -2.32 1.80 -0.06 -0.62 -0.21 -1.11 -4.84 119.66 112.29 1ur9 s GLN 180 Ca 0.58 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 54.22 1ur9 s GLN 180 Cb -0.37 -1.82 0.02 0.00 1.00 0.00 0.00 33.01 31.84 1ur9 s GLN 180 CO 0.47 0.30 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.73 1ur9 s LEU 181 N -3.55 1.17 0.24 2.90 2.96 -1.26 0.00 118.68 121.14 1ur9 s LEU 181 Ca 0.31 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1ur9 s LEU 181 Cb -0.04 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1ur9 s LEU 181 CO 0.16 -0.09 0.13 0.42 -1.32 0.00 0.00 176.35 175.65 1ur9 s THR 182 N 1.26 0.24 0.06 3.68 -4.23 0.83 -1.02 115.64 116.46 1ur9 s THR 182 Ca -0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1ur9 s THR 182 Cb -0.14 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1ur9 s THR 182 CO -0.02 0.00 0.01 0.27 -0.54 0.00 0.00 174.62 174.34 1ur9 s ILE 183 N -3.90 0.20 -0.17 2.99 -4.36 -1.18 -0.99 121.20 113.79 1ur9 s ILE 183 Ca 0.38 -1.67 -0.08 0.00 -0.26 0.00 0.00 60.65 59.02 1ur9 s ILE 183 Cb 0.07 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.28 1ur9 s ILE 183 CO 0.14 -0.92 0.11 0.00 0.24 0.00 0.00 174.94 174.50 1ur9 s ALA 184 N -3.83 3.63 0.20 2.27 0.00 -0.72 -0.50 121.76 122.81 1ur9 s ALA 184 Ca 0.06 -0.70 0.11 0.00 0.00 0.00 0.00 51.96 51.43 1ur9 s ALA 184 Cb 0.07 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1ur9 s ALA 184 CO -0.10 0.28 -0.23 0.20 0.00 0.00 0.00 175.76 175.91 1ur9 s GLY 185 N 0.02 1.70 0.56 0.00 0.00 0.60 -4.72 107.32 105.48 1ur9 s GLY 185 Ca 0.08 -1.65 -0.21 0.00 0.00 0.00 0.00 44.72 42.94 1ur9 s GLY 185 CO 0.00 -1.68 1.33 0.00 0.00 0.00 0.00 173.10 172.75 1ur9 n ALA 186 N 0.20 1.46 -0.10 3.20 0.00 -1.26 -0.80 120.51 123.21 1ur9 n ALA 186 Ca -0.12 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1ur9 n ALA 186 Cb 0.56 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.56 1ur9 n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ur9 n GLY 187 N 0.80 -0.50 3.80 0.00 0.00 -1.21 -4.54 105.19 103.54 1ur9 n GLY 187 Ca 0.11 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1ur9 n GLY 187 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ur9 s GLY 188 N -5.82 2.68 0.51 -0.02 0.00 -1.26 -4.49 107.32 98.92 1ur9 s GLY 188 Ca -0.23 0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.03 1ur9 s GLY 188 CO 0.58 0.78 2.14 0.00 0.00 0.00 0.00 173.10 176.60 1ur9 h ALA 189 N 3.06 1.97 0.54 3.20 0.00 -1.96 -2.11 119.26 123.97 1ur9 h ALA 189 Ca -0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1ur9 h ALA 189 Cb 1.19 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ur9 h ALA 189 CO 0.65 0.02 -0.26 0.74 0.00 0.00 0.00 179.25 180.40 1ur9 h PHE 190 N 0.05 -0.68 0.01 0.00 0.04 -1.93 -0.64 116.94 113.80 1ur9 h PHE 190 Ca 0.01 -0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1ur9 h PHE 190 Cb -0.00 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1ur9 h PHE 190 CO 0.00 -0.40 -0.91 0.74 -0.60 0.00 0.00 178.31 177.14 1ur9 h PHE 191 N -0.78 0.22 -0.58 -0.55 0.04 -1.97 -3.20 116.94 110.12 1ur9 h PHE 191 Ca -0.07 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.62 1ur9 h PHE 191 Cb 0.58 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 1ur9 h PHE 191 CO -0.03 0.97 0.39 1.25 -0.60 0.00 0.00 178.31 180.29 1ur9 h LEU 192 N 0.07 0.52 -2.19 1.54 5.85 -1.29 -1.87 115.31 117.94 1ur9 h LEU 192 Ca -0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ur9 h LEU 192 Cb 1.56 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1ur9 h LEU 192 CO 0.13 0.34 0.00 0.77 -0.34 0.00 0.00 178.44 179.35 1ur9 h SER 193 N 0.59 0.00 -0.17 1.25 4.64 -1.10 -0.33 113.55 118.43 1ur9 h SER 193 Ca 0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 1ur9 h SER 193 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1ur9 h SER 193 CO -0.07 0.00 -0.15 0.03 -0.87 0.00 0.00 176.83 175.77 1ur9 h ARG 194 N 0.00 0.56 0.00 4.77 3.08 -1.50 -3.36 114.38 117.92 1ur9 h ARG 194 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1ur9 h ARG 194 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ur9 h ARG 194 CO 0.00 0.69 0.00 2.48 -1.07 0.00 0.00 179.97 182.07 1ur9 n TYR 195 N -4.17 0.00 -0.25 3.04 0.18 -0.97 -2.07 117.16 112.92 1ur9 n TYR 195 Ca 0.01 -0.08 0.05 0.00 1.88 0.00 0.00 57.90 59.76 1ur9 n TYR 195 Cb 0.35 -0.01 0.17 0.00 -0.38 0.00 0.00 39.34 39.48 1ur9 n TYR 195 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1ur9 h TYR 196 N 0.00 0.18 -0.15 -3.48 3.20 -1.22 -0.62 116.97 114.87 1ur9 h TYR 196 Ca 0.00 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1ur9 h TYR 196 Cb 0.59 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1ur9 h TYR 196 CO 0.00 -0.14 0.24 0.66 -1.64 0.00 0.00 178.16 177.29 1ur9 h SER 197 N 0.21 0.00 -0.29 -2.11 4.64 -1.86 -1.89 113.55 112.25 1ur9 h SER 197 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1ur9 h SER 197 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ur9 h SER 197 CO -0.55 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.70 1ur9 n LYS 198 N -3.50 2.99 -0.34 4.77 5.02 -0.24 -4.75 118.16 122.11 1ur9 n LYS 198 Ca 0.01 -2.70 0.16 0.00 -2.02 0.00 0.00 58.31 53.76 1ur9 n LYS 198 Cb 0.35 -1.75 0.37 0.00 -0.02 0.00 0.00 35.03 33.98 1ur9 n LYS 198 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ur9 h LEU 199 N 1.95 0.66 -0.31 -0.35 3.38 -1.29 -1.42 115.31 117.92 1ur9 h LEU 199 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ur9 h LEU 199 Cb 1.32 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1ur9 h LEU 199 CO 0.19 0.13 0.20 0.00 0.09 0.00 0.00 178.44 179.04 1ur9 h ALA 200 N 1.71 0.40 -0.57 1.53 0.00 -1.85 0.40 119.26 120.88 1ur9 h ALA 200 Ca 0.62 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.44 1ur9 h ALA 200 Cb 1.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ur9 h ALA 200 CO -0.46 -0.12 0.09 1.96 0.00 0.00 0.00 179.25 180.71 1ur9 h GLN 201 N 0.41 0.91 -0.60 0.00 4.20 -1.67 -1.59 115.11 116.79 1ur9 h GLN 201 Ca 0.11 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 1ur9 h GLN 201 Cb -0.03 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1ur9 h GLN 201 CO -0.02 0.85 -0.03 0.82 -0.67 0.00 0.00 178.83 179.78 1ur9 h ILE 202 N 0.86 1.27 0.00 2.54 2.04 -0.76 -3.24 117.51 120.22 1ur9 h ILE 202 Ca 0.18 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1ur9 h ILE 202 Cb 0.38 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ur9 h ILE 202 CO 0.01 0.43 -0.46 0.58 0.00 0.00 0.00 178.15 178.71 1ur9 h VAL 203 N 0.97 0.43 -0.60 1.67 2.07 -0.74 -3.38 116.25 116.67 1ur9 h VAL 203 Ca 0.17 -1.63 0.12 0.00 0.82 0.00 0.00 66.70 66.18 1ur9 h VAL 203 Cb 0.60 2.14 -0.11 0.00 -1.52 0.00 0.00 31.29 32.40 1ur9 h VAL 203 CO 0.04 0.24 -0.07 0.00 0.02 0.00 0.00 177.57 177.80 1ur9 h ALA 204 N 1.72 0.50 -0.00 1.67 0.00 -1.32 -1.03 119.26 120.81 1ur9 h ALA 204 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ur9 h ALA 204 Cb 1.23 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ur9 h ALA 204 CO 0.03 -0.41 0.00 -0.35 0.00 0.00 0.00 179.25 178.52 1ur9 n PRO 205 N -5.34 1.01 -3.78 0.00 -0.04 -1.26 -4.88 135.00 120.71 1ur9 n PRO 205 Ca 0.08 -0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1ur9 n PRO 205 Cb 0.33 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 1ur9 n PRO 205 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ur9 s LEU 206 N -1.88 4.29 0.03 1.53 1.43 -0.39 -4.81 118.68 118.88 1ur9 s LEU 206 Ca 0.42 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 1ur9 s LEU 206 Cb 0.19 -3.14 -0.33 0.00 0.03 0.00 0.00 46.19 42.95 1ur9 s LEU 206 CO 0.33 0.07 0.99 0.44 0.23 0.00 0.00 176.35 178.40 1ur9 h ASP 207 N 2.67 0.69 -5.01 2.29 3.32 -1.36 -3.48 116.42 115.54 1ur9 h ASP 207 Ca -0.46 -0.77 -0.09 0.00 0.02 0.00 0.00 57.03 55.72 1ur9 h ASP 207 Cb 1.17 -0.22 -0.19 0.00 0.22 0.00 0.00 39.33 40.31 1ur9 h ASP 207 CO 0.72 1.62 -0.14 -0.31 -1.72 0.00 0.00 179.24 179.41 1ur9 s TYR 208 N -2.61 -0.29 -0.20 4.55 2.02 -1.25 -4.66 117.35 114.91 1ur9 s TYR 208 Ca -0.09 0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1ur9 s TYR 208 Cb 0.05 0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.81 1ur9 s TYR 208 CO 0.91 -0.49 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.79 1ur9 s ILE 209 N -1.65 2.74 -0.57 2.71 2.07 0.03 -3.09 121.20 123.43 1ur9 s ILE 209 Ca -0.11 -0.71 -0.22 0.00 -1.41 0.00 0.00 60.65 58.20 1ur9 s ILE 209 Cb -0.03 -2.20 0.06 0.00 0.13 0.00 0.00 42.46 40.42 1ur9 s ILE 209 CO 0.03 0.48 0.84 0.20 -1.91 0.00 0.00 174.94 174.59 1ur9 s ASN 210 N 1.33 6.26 -0.10 4.50 0.02 0.35 -1.20 114.94 126.08 1ur9 s ASN 210 Ca 0.04 -0.73 -0.30 0.00 -1.02 0.00 0.00 52.86 50.86 1ur9 s ASN 210 Cb -0.14 -2.38 -0.02 0.00 0.02 0.00 0.00 41.25 38.73 1ur9 s ASN 210 CO -0.07 -1.18 1.09 -0.76 0.02 0.00 0.00 177.10 176.20 1ur9 s LEU 211 N 3.53 4.24 -1.41 0.60 1.43 0.32 -0.29 118.68 127.10 1ur9 s LEU 211 Ca 0.23 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1ur9 s LEU 211 Cb -0.16 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.58 1ur9 s LEU 211 CO 0.14 -0.54 2.18 0.23 0.23 0.00 0.00 176.35 178.59 1ur9 n MET 212 N 5.30 3.20 -1.88 1.70 2.81 0.02 -0.29 117.12 127.98 1ur9 n MET 212 Ca 0.10 -2.88 -0.42 0.00 -1.81 0.00 0.00 57.70 52.69 1ur9 n MET 212 Cb 0.47 -3.12 -0.00 0.00 -0.71 0.00 0.00 33.22 29.86 1ur9 n MET 212 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ur9 n THR 213 N 4.35 3.91 -3.83 2.03 -2.24 -1.26 -3.31 114.28 113.93 1ur9 n THR 213 Ca 0.50 -3.45 -0.07 0.00 -2.27 0.00 0.00 64.05 58.76 1ur9 n THR 213 Cb 0.37 -2.51 0.03 0.00 -2.10 0.00 0.00 70.33 66.12 1ur9 n THR 213 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1ur9 s TYR 214 N 2.00 0.14 -1.65 4.78 -0.85 -1.26 -4.59 117.35 115.92 1ur9 s TYR 214 Ca 0.48 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1ur9 s TYR 214 Cb 0.13 0.82 0.00 0.00 0.38 0.00 0.00 41.96 43.29 1ur9 s TYR 214 CO -0.06 -1.43 0.00 -0.25 -1.52 0.00 0.00 175.55 172.29 1ur9 n ASP 215 N -1.46 -5.17 -0.25 -0.18 8.00 -1.12 -4.82 116.55 111.55 1ur9 n ASP 215 Ca -0.07 0.15 0.15 0.00 0.71 0.00 0.00 54.79 55.72 1ur9 n ASP 215 Cb 0.60 -4.39 0.68 0.00 -0.02 0.00 0.00 41.12 37.99 1ur9 n ASP 215 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ur9 n LEU 216 N -2.77 0.81 -3.62 0.64 4.77 -0.31 -4.82 117.00 111.71 1ur9 n LEU 216 Ca -0.21 -0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.41 1ur9 n LEU 216 Cb 0.65 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1ur9 n LEU 216 CO 0.26 0.14 0.19 0.00 -1.33 0.00 0.00 177.39 176.64 1ur9 s ALA 217 N -2.08 -1.04 0.00 -1.18 0.00 -1.26 -4.85 121.76 111.35 1ur9 s ALA 217 Ca 0.40 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1ur9 s ALA 217 Cb 0.21 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1ur9 s ALA 217 CO 0.37 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1ur9 n GLY 218 N 0.04 0.49 0.42 0.00 0.00 -1.26 -4.63 105.19 100.25 1ur9 n GLY 218 Ca -0.17 -1.00 0.25 0.00 0.00 0.00 0.00 46.02 45.10 1ur9 n GLY 218 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ur9 h PRO 219 N 0.00 0.32 0.00 1.61 0.11 -1.90 -1.11 132.00 131.04 1ur9 h PRO 219 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ur9 h PRO 219 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1ur9 h PRO 219 CO 0.00 0.21 0.00 -2.67 -0.21 0.00 0.00 178.00 175.33 1ur9 n TRP 220 N -4.58 0.00 -4.28 0.65 2.14 -1.26 -4.65 117.44 105.46 1ur9 n TRP 220 Ca 0.26 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.53 1ur9 n TRP 220 Cb 0.94 -0.19 -0.10 0.00 -0.81 0.00 0.00 31.31 31.15 1ur9 n TRP 220 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1ur9 s GLU 221 N -2.38 2.06 0.30 -2.67 0.41 -0.42 -5.06 118.70 110.94 1ur9 s GLU 221 Ca 0.14 -1.05 -0.01 0.00 -0.41 0.00 0.00 54.97 53.64 1ur9 s GLU 221 Cb 0.08 -2.26 0.47 0.00 -1.78 0.00 0.00 34.13 30.64 1ur9 s GLU 221 CO 0.17 0.51 1.94 1.57 -0.49 0.00 0.00 175.26 178.96 1ur9 h LYS 222 N 3.72 0.99 -5.82 1.61 2.10 -1.85 -3.44 116.57 113.88 1ur9 h LYS 222 Ca -0.49 -0.09 -0.67 0.00 -2.00 0.00 0.00 60.65 57.40 1ur9 h LYS 222 Cb 1.17 -0.21 -0.19 0.00 -0.90 0.00 0.00 32.23 32.10 1ur9 h LYS 222 CO 0.50 0.70 -0.67 0.08 -2.00 0.00 0.00 179.45 178.06 1ur9 s VAL 223 N -5.73 3.89 0.45 0.07 1.01 -1.26 -4.25 120.40 114.59 1ur9 s VAL 223 Ca -0.11 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1ur9 s VAL 223 Cb 0.17 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 1ur9 s VAL 223 CO 0.79 0.57 1.29 0.42 0.00 0.00 0.00 175.10 178.17 1ur9 s THR 224 N -0.43 2.57 0.18 3.92 -4.23 -0.32 -4.84 115.64 112.49 1ur9 s THR 224 Ca 0.07 0.47 -0.24 0.00 -1.18 0.00 0.00 61.69 60.82 1ur9 s THR 224 Cb -0.12 -3.26 0.05 0.00 1.34 0.00 0.00 72.50 70.51 1ur9 s THR 224 CO 0.02 0.04 0.82 0.21 -0.54 0.00 0.00 174.62 175.17 1ur9 s ASN 225 N -0.92 -0.27 0.13 3.99 2.47 -1.26 -1.65 114.94 117.43 1ur9 s ASN 225 Ca 0.62 -0.39 -0.30 0.00 0.42 0.00 0.00 52.86 53.21 1ur9 s ASN 225 Cb -0.37 0.58 -0.07 0.00 -1.45 0.00 0.00 41.25 39.94 1ur9 s ASN 225 CO 0.46 -1.04 1.22 -1.00 -3.72 0.00 0.00 177.10 173.01 1ur9 s HIS 226 N -3.55 3.42 -1.14 0.43 3.76 -1.26 -4.72 115.29 112.22 1ur9 s HIS 226 Ca 0.10 1.33 0.29 0.00 -0.15 0.00 0.00 55.06 56.62 1ur9 s HIS 226 Cb -0.03 -3.45 1.26 0.00 1.11 0.00 0.00 32.58 31.46 1ur9 s HIS 226 CO 0.01 -1.35 1.92 0.00 -0.85 0.00 0.00 174.74 174.47 1ur9 n GLN 227 N 3.22 0.14 -2.71 1.40 10.64 -1.26 -4.13 117.38 124.67 1ur9 n GLN 227 Ca 0.07 -0.01 -0.05 0.00 -1.83 0.00 0.00 57.00 55.18 1ur9 n GLN 227 Cb 0.45 -1.50 0.08 0.00 -0.86 0.00 0.00 30.24 28.41 1ur9 n GLN 227 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ur9 n ALA 228 N -1.42 2.48 -1.74 2.61 0.00 -1.26 -1.16 120.51 120.02 1ur9 n ALA 228 Ca 0.09 -2.03 -0.42 0.00 0.00 0.00 0.00 53.44 51.09 1ur9 n ALA 228 Cb 0.31 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 1ur9 n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ur9 n ALA 229 N -0.66 2.54 -0.03 0.00 0.00 -1.26 -4.75 120.51 116.35 1ur9 n ALA 229 Ca -0.01 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 1ur9 n ALA 229 Cb 0.84 -2.47 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 1ur9 n ALA 229 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ur9 h LEU 230 N 4.97 0.13 -9.39 0.00 5.85 -1.61 0.11 115.31 115.36 1ur9 h LEU 230 Ca -0.47 -0.56 -0.53 0.00 0.84 0.00 0.00 57.88 57.16 1ur9 h LEU 230 Cb 1.22 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 1ur9 h LEU 230 CO 0.81 0.67 -0.60 -0.36 -0.34 0.00 0.00 178.44 178.61 1ur9 s PHE 231 N -3.97 2.17 0.38 1.25 0.08 -1.25 -1.59 117.98 115.05 1ur9 s PHE 231 Ca -0.16 -0.85 -0.06 0.00 0.12 0.00 0.00 56.93 55.98 1ur9 s PHE 231 Cb 0.02 -1.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 1ur9 s PHE 231 CO 0.71 0.17 0.68 0.20 -0.10 0.00 0.00 175.22 176.87 1ur9 s GLY 232 N -3.57 1.75 -0.18 4.36 0.00 -0.61 -4.13 107.32 104.94 1ur9 s GLY 232 Ca 0.36 -0.47 -0.00 0.00 0.00 0.00 0.00 44.72 44.61 1ur9 s GLY 232 CO 0.16 -0.33 -0.16 -0.35 0.00 0.00 0.00 173.10 172.43 1ur9 s ASP 233 N -3.48 3.52 0.66 1.64 -1.08 -1.26 -0.47 116.67 116.20 1ur9 s ASP 233 Ca 0.47 -0.54 0.42 0.00 -0.52 0.00 0.00 52.55 52.38 1ur9 s ASP 233 Cb -0.10 -1.55 2.30 0.00 -1.46 0.00 0.00 42.92 42.10 1ur9 s ASP 233 CO 0.35 0.03 2.30 0.00 0.52 0.00 0.00 175.17 178.36 1ur9 h ALA 234 N 7.73 1.05 0.00 3.66 0.00 -1.98 0.11 119.26 129.83 1ur9 h ALA 234 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ur9 h ALA 234 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ur9 h ALA 234 CO 0.60 -0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.68 1ur9 n ALA 235 N -2.04 2.50 -1.94 0.00 0.00 -1.26 -4.89 120.51 112.88 1ur9 n ALA 235 Ca -0.03 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 1ur9 n ALA 235 Cb 0.11 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.23 1ur9 n ALA 235 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ur9 s GLY 236 N -3.30 1.66 0.64 0.00 0.00 0.40 -4.90 107.32 101.82 1ur9 s GLY 236 Ca 0.12 -0.84 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 1ur9 s GLY 236 CO 0.59 -0.43 1.10 2.56 0.00 0.00 0.00 173.10 176.92 1ur9 s PRO 237 N -5.27 2.93 0.32 2.90 0.04 -1.26 -4.98 135.00 129.67 1ur9 s PRO 237 Ca 0.60 1.36 0.10 0.00 0.04 0.00 0.00 61.00 63.09 1ur9 s PRO 237 Cb -0.11 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1ur9 s PRO 237 CO 0.46 -1.14 -0.12 0.95 0.04 0.00 0.00 177.00 177.18 1ur9 s THR 238 N -2.35 2.24 0.11 1.26 -4.23 -1.26 -4.66 115.64 106.75 1ur9 s THR 238 Ca 0.66 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1ur9 s THR 238 Cb -0.20 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1ur9 s THR 238 CO 0.40 -0.27 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.81 1ur9 s PHE 239 N -2.63 0.89 0.22 3.99 0.40 -0.31 -4.85 117.98 115.69 1ur9 s PHE 239 Ca 0.31 -0.97 -0.30 0.00 -0.60 0.00 0.00 56.93 55.37 1ur9 s PHE 239 Cb 0.01 -0.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.92 1ur9 s PHE 239 CO 0.15 -0.21 1.30 -0.47 0.70 0.00 0.00 175.22 176.69 1ur9 s TYR 240 N -3.69 3.24 -0.93 0.36 5.04 -1.26 -0.94 117.35 119.16 1ur9 s TYR 240 Ca 0.14 1.26 -0.24 0.00 -2.44 0.00 0.00 57.07 55.80 1ur9 s TYR 240 Cb 0.06 -3.60 0.05 0.00 0.35 0.00 0.00 41.96 38.82 1ur9 s TYR 240 CO -0.04 -1.83 1.37 1.21 -1.34 0.00 0.00 175.55 174.92 1ur9 s ASN 241 N 0.17 6.41 0.49 4.32 3.84 -1.26 -4.87 114.94 124.04 1ur9 s ASN 241 Ca 0.55 -1.23 0.25 0.00 0.21 0.00 0.00 52.86 52.64 1ur9 s ASN 241 Cb -0.37 -2.55 1.37 0.00 -0.55 0.00 0.00 41.25 39.15 1ur9 s ASN 241 CO 0.40 -1.56 1.74 0.00 -2.79 0.00 0.00 177.10 174.89 1ur9 h ALA 242 N 9.78 1.18 0.00 1.71 0.00 -1.91 -2.05 119.26 127.96 1ur9 h ALA 242 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ur9 h ALA 242 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ur9 h ALA 242 CO 1.36 -0.18 0.00 -0.07 0.00 0.00 0.00 179.25 180.36 1ur9 h LEU 243 N 0.00 0.00 -1.81 0.00 3.38 -1.90 -0.32 115.31 114.66 1ur9 h LEU 243 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ur9 h LEU 243 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ur9 h LEU 243 CO 0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 1ur9 h ARG 244 N 0.00 0.00 -0.22 1.13 3.08 -1.71 -2.08 114.38 114.57 1ur9 h ARG 244 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ur9 h ARG 244 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ur9 h ARG 244 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 1ur9 n GLU 245 N -2.86 2.43 -2.37 0.04 -0.58 -0.13 -4.96 120.64 112.20 1ur9 n GLU 245 Ca -0.00 -2.13 -0.38 0.00 -0.42 0.00 0.00 57.16 54.23 1ur9 n GLU 245 Cb 0.19 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1ur9 n GLU 245 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ur9 s ALA 246 N -1.72 3.16 -1.08 0.62 0.00 -0.78 -4.88 121.76 117.07 1ur9 s ALA 246 Ca 0.34 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 52.98 1ur9 s ALA 246 Cb 0.22 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 1ur9 s ALA 246 CO 0.31 -0.42 1.92 -1.71 0.00 0.00 0.00 175.76 175.86 1ur9 n ASN 247 N 0.14 3.07 -0.05 0.00 5.15 -1.26 -4.59 115.26 117.72 1ur9 n ASN 247 Ca 0.04 -2.71 -0.06 0.00 -0.60 0.00 0.00 54.58 51.24 1ur9 n ASN 247 Cb 0.47 -1.56 -0.15 0.00 -0.53 0.00 0.00 39.78 38.02 1ur9 n ASN 247 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ur9 n LEU 248 N 11.76 0.33 -0.06 1.20 4.77 -1.26 -4.84 117.00 128.89 1ur9 n LEU 248 Ca 0.47 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 1ur9 n LEU 248 Cb 0.45 0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1ur9 n LEU 248 CO 0.80 0.38 -0.01 0.61 -1.33 0.00 0.00 177.39 177.83 1ur9 n GLY 249 N 1.61 0.40 3.96 -0.72 0.00 -1.26 -5.04 105.19 104.14 1ur9 n GLY 249 Ca -0.23 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1ur9 n GLY 249 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ur9 s TRP 250 N -2.03 3.46 0.87 1.61 0.51 -1.26 -5.11 118.94 116.98 1ur9 s TRP 250 Ca 0.00 0.01 -0.13 0.00 -2.12 0.00 0.00 56.10 53.86 1ur9 s TRP 250 Cb 0.00 -1.59 0.12 0.00 -0.81 0.00 0.00 33.47 31.19 1ur9 s TRP 250 CO 0.00 0.46 1.19 -1.54 -0.51 0.00 0.00 176.95 176.55 1ur9 s SER 251 N -3.80 3.97 0.13 2.95 1.04 -1.26 -4.78 113.70 111.95 1ur9 s SER 251 Ca 0.34 0.75 -0.19 0.00 0.48 0.00 0.00 55.95 57.33 1ur9 s SER 251 Cb -0.09 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 1ur9 s SER 251 CO 0.29 -2.24 1.73 -0.25 0.98 0.00 0.00 173.24 173.74 1ur9 h TRP 252 N -1.29 0.03 -0.65 5.02 7.01 -1.99 0.15 115.95 124.23 1ur9 h TRP 252 Ca -0.47 0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.57 1ur9 h TRP 252 Cb 1.32 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.36 1ur9 h TRP 252 CO 0.03 -0.01 0.40 0.93 -2.79 0.00 0.00 178.44 177.00 1ur9 h GLU 253 N 0.10 0.77 -0.61 2.65 4.39 -1.99 -0.74 114.58 119.15 1ur9 h GLU 253 Ca 0.11 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1ur9 h GLU 253 Cb 0.13 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1ur9 h GLU 253 CO -0.17 0.51 0.13 0.93 -1.16 0.00 0.00 179.01 179.25 1ur9 h GLU 254 N 0.79 1.00 -0.31 2.33 5.08 -1.80 -0.59 114.58 121.08 1ur9 h GLU 254 Ca 0.26 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ur9 h GLU 254 Cb 0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ur9 h GLU 254 CO -0.10 0.92 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.76 1ur9 h LEU 255 N 0.91 0.55 -0.73 1.33 3.38 -0.71 -1.12 115.31 118.93 1ur9 h LEU 255 Ca 0.19 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1ur9 h LEU 255 Cb 0.39 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1ur9 h LEU 255 CO 0.01 0.73 0.25 0.74 0.09 0.00 0.00 178.44 180.26 1ur9 h THR 256 N 0.36 1.26 -0.23 0.22 2.02 -1.04 0.13 112.91 115.62 1ur9 h THR 256 Ca 0.09 -0.86 -0.17 0.00 0.77 0.00 0.00 66.41 66.24 1ur9 h THR 256 Cb 0.46 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1ur9 h THR 256 CO 0.02 0.34 -0.55 0.03 0.37 0.00 0.00 175.52 175.73 1ur9 h ARG 257 N 1.06 0.68 0.02 6.66 3.08 -1.04 -3.23 114.38 121.62 1ur9 h ARG 257 Ca 0.24 -0.43 -0.21 0.00 0.07 0.00 0.00 59.98 59.65 1ur9 h ARG 257 Cb 0.27 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1ur9 h ARG 257 CO -0.01 1.05 -0.95 0.00 -1.07 0.00 0.00 179.97 178.98 1ur9 h ALA 258 N 0.86 0.44 -2.48 0.04 0.00 -0.89 -1.42 119.26 115.81 1ur9 h ALA 258 Ca 0.01 -0.79 -0.60 0.00 0.00 0.00 0.00 54.91 53.53 1ur9 h ALA 258 Cb 1.11 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.41 1ur9 h ALA 258 CO 0.11 1.01 -0.72 1.19 0.00 0.00 0.00 179.25 180.84 1ur9 n PHE 259 N -3.56 2.24 -1.58 0.00 3.72 0.43 -4.25 117.46 114.47 1ur9 n PHE 259 Ca -0.03 -4.00 -0.42 0.00 -0.05 0.00 0.00 57.45 52.96 1ur9 n PHE 259 Cb 0.87 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 1ur9 n PHE 259 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1ur9 n PRO 260 N 1.58 1.19 -3.67 -1.08 -0.02 -1.23 -4.73 135.00 127.04 1ur9 n PRO 260 Ca 0.25 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1ur9 n PRO 260 Cb 0.42 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 1ur9 n PRO 260 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ur9 s SER 261 N -0.78 -0.65 0.73 2.55 0.15 -1.26 -4.22 113.70 110.21 1ur9 s SER 261 Ca 0.63 1.21 -0.11 0.00 0.70 0.00 0.00 55.95 58.39 1ur9 s SER 261 Cb -0.57 1.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 1ur9 s SER 261 CO 0.57 -0.21 1.07 -2.16 1.20 0.00 0.00 173.24 173.71 1ur9 s PRO 262 N 0.51 2.64 0.27 5.44 0.04 -1.26 -4.98 135.00 137.66 1ur9 s PRO 262 Ca -0.02 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.11 1ur9 s PRO 262 Cb -0.04 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1ur9 s PRO 262 CO -0.02 -1.34 0.09 -0.59 0.04 0.00 0.00 177.00 175.18 1ur9 s PHE 263 N -2.95 1.62 -0.23 0.56 -0.71 -0.11 -4.80 117.98 111.36 1ur9 s PHE 263 Ca 0.60 -1.14 -0.19 0.00 -1.04 0.00 0.00 56.93 55.16 1ur9 s PHE 263 Cb -0.16 -0.97 -0.03 0.00 -1.21 0.00 0.00 43.02 40.66 1ur9 s PHE 263 CO 0.55 -0.27 0.56 -1.12 -1.34 0.00 0.00 175.22 173.59 1ur9 s SER 264 N -3.34 6.55 -0.58 1.98 0.01 -1.26 -1.16 113.70 115.90 1ur9 s SER 264 Ca 0.38 0.67 -0.27 0.00 1.31 0.00 0.00 55.95 58.04 1ur9 s SER 264 Cb 0.08 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1ur9 s SER 264 CO 0.14 -0.26 1.74 -0.22 0.41 0.00 0.00 173.24 175.04 1ur9 s LEU 265 N 2.04 3.32 0.26 2.44 2.96 -1.26 -4.76 118.68 123.68 1ur9 s LEU 265 Ca 0.25 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1ur9 s LEU 265 Cb -0.16 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1ur9 s LEU 265 CO 0.09 -2.15 0.12 0.42 -1.32 0.00 0.00 176.35 173.52 1ur9 s THR 266 N 8.08 0.38 0.10 3.68 -4.23 -1.26 -4.69 115.64 117.69 1ur9 s THR 266 Ca 0.64 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1ur9 s THR 266 Cb -0.13 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 1ur9 s THR 266 CO 0.22 0.00 1.51 0.58 -0.54 0.00 0.00 174.62 176.39 1ur9 h VAL 267 N 2.37 1.28 -0.70 2.29 2.07 -0.82 -2.34 116.25 120.39 1ur9 h VAL 267 Ca -0.36 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.13 1ur9 h VAL 267 Cb 1.25 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 1ur9 h VAL 267 CO 0.56 0.35 0.42 -0.78 0.02 0.00 0.00 177.57 178.14 1ur9 h ASP 268 N 0.36 0.67 -0.02 0.57 3.58 -1.52 -0.91 116.42 119.16 1ur9 h ASP 268 Ca 0.08 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.55 1ur9 h ASP 268 Cb 0.53 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1ur9 h ASP 268 CO 0.03 0.45 -0.01 0.00 -2.88 0.00 0.00 179.24 176.82 1ur9 h ALA 269 N 1.33 0.00 -0.45 -0.78 0.00 -1.77 0.77 119.26 118.36 1ur9 h ALA 269 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ur9 h ALA 269 Cb 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ur9 h ALA 269 CO -0.14 -0.51 0.26 0.00 0.00 0.00 0.00 179.25 178.86 1ur9 h ALA 270 N 1.00 0.58 -0.14 0.00 0.00 -1.06 0.54 119.26 120.18 1ur9 h ALA 270 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ur9 h ALA 270 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ur9 h ALA 270 CO -0.03 -0.06 0.04 0.28 0.00 0.00 0.00 179.25 179.48 1ur9 h VAL 271 N 0.52 1.18 -0.44 0.00 2.07 -0.87 -2.67 116.25 116.03 1ur9 h VAL 271 Ca 0.19 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1ur9 h VAL 271 Cb 0.03 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1ur9 h VAL 271 CO -0.10 0.17 0.05 1.56 0.02 0.00 0.00 177.57 179.27 1ur9 h GLN 272 N 0.04 0.70 -0.47 1.57 1.08 -0.69 -1.33 115.11 116.01 1ur9 h GLN 272 Ca 0.04 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1ur9 h GLN 272 Cb 0.22 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1ur9 h GLN 272 CO -0.00 0.68 0.20 1.96 -0.95 0.00 0.00 178.83 180.72 1ur9 h GLN 273 N 0.67 0.66 -0.11 1.46 4.20 -0.76 -0.89 115.11 120.33 1ur9 h GLN 273 Ca 0.14 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 1ur9 h GLN 273 Cb 0.35 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1ur9 h GLN 273 CO 0.01 0.53 -0.46 0.45 -0.67 0.00 0.00 178.83 178.69 1ur9 h HIS 274 N 0.66 0.69 0.00 2.96 3.86 -1.03 -3.25 115.15 119.03 1ur9 h HIS 274 Ca 0.16 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 1ur9 h HIS 274 Cb 0.11 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1ur9 h HIS 274 CO 0.01 1.06 -0.13 -0.07 0.86 0.00 0.00 177.93 179.66 1ur9 h LEU 275 N 0.12 0.00 -1.71 2.43 3.38 -0.95 -2.10 115.31 116.48 1ur9 h LEU 275 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ur9 h LEU 275 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1ur9 h LEU 275 CO 0.10 0.13 -0.18 -0.03 0.09 0.00 0.00 178.44 178.55 1ur9 h MET 276 N 0.00 0.00 -6.19 1.13 4.05 -1.20 -3.43 114.93 109.29 1ur9 h MET 276 Ca -0.00 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.86 1ur9 h MET 276 Cb 0.34 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 1ur9 h MET 276 CO 0.02 0.18 0.34 -1.64 0.23 0.00 0.00 176.91 176.03 1ur9 s MET 277 N -4.43 4.45 0.33 0.39 -1.94 -0.79 -3.33 119.30 113.98 1ur9 s MET 277 Ca -0.03 1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 54.85 1ur9 s MET 277 Cb 0.15 -3.49 -0.12 0.00 2.01 0.00 0.00 34.83 33.37 1ur9 s MET 277 CO 0.66 -0.12 1.44 -1.91 -0.01 0.00 0.00 175.02 175.07 1ur9 n GLU 278 N 4.34 2.44 -0.65 2.03 2.13 -1.25 -2.49 120.64 127.19 1ur9 n GLU 278 Ca 0.04 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1ur9 n GLU 278 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1ur9 n GLU 278 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ur9 n GLY 279 N 1.08 0.82 3.21 8.31 0.00 -1.26 -4.52 105.19 112.82 1ur9 n GLY 279 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ur9 n GLY 279 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ur9 s VAL 280 N -3.22 4.24 0.21 1.61 1.01 -1.04 -4.74 120.40 118.47 1ur9 s VAL 280 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.79 1ur9 s VAL 280 Cb 0.00 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1ur9 s VAL 280 CO 0.00 -0.79 1.17 -2.16 0.00 0.00 0.00 175.10 173.31 1ur9 s PRO 281 N 1.23 4.53 0.37 2.72 0.04 -1.26 -4.73 135.00 137.90 1ur9 s PRO 281 Ca 0.07 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.03 1ur9 s PRO 281 Cb -0.25 -3.22 0.76 0.00 0.04 0.00 0.00 34.50 31.82 1ur9 s PRO 281 CO -0.01 -0.00 1.97 0.66 0.04 0.00 0.00 177.00 179.66 1ur9 h SER 282 N 4.78 0.64 0.12 6.66 4.64 -1.91 -1.86 113.55 126.62 1ur9 h SER 282 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ur9 h SER 282 Cb 1.21 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ur9 h SER 282 CO 0.72 0.42 0.00 0.00 -0.87 0.00 0.00 176.83 177.10 1ur9 h ALA 283 N 1.62 1.00 0.00 5.18 0.00 -1.85 -0.40 119.26 124.82 1ur9 h ALA 283 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ur9 h ALA 283 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ur9 h ALA 283 CO -0.09 0.00 -0.88 1.63 0.00 0.00 0.00 179.25 179.91 1ur9 n LYS 284 N -2.83 0.21 -2.72 0.00 5.02 -0.70 -3.23 118.16 113.92 1ur9 n LYS 284 Ca -0.02 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1ur9 n LYS 284 Cb 0.09 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1ur9 n LYS 284 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ur9 s ILE 285 N -3.14 4.83 -0.16 -0.18 1.01 -0.18 -0.79 121.20 122.58 1ur9 s ILE 285 Ca 0.06 2.01 0.01 0.00 0.00 0.00 0.00 60.65 62.72 1ur9 s ILE 285 Cb 0.15 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.33 1ur9 s ILE 285 CO 0.78 0.07 -0.19 -0.69 0.00 0.00 0.00 174.94 174.91 1ur9 s VAL 286 N 1.60 2.20 -0.19 2.92 1.01 -0.34 0.25 120.40 127.85 1ur9 s VAL 286 Ca 0.49 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1ur9 s VAL 286 Cb -0.19 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1ur9 s VAL 286 CO 0.21 0.53 0.91 -0.32 0.00 0.00 0.00 175.10 176.44 1ur9 s MET 287 N 1.07 4.29 0.40 2.72 1.75 -0.43 -0.52 119.30 128.58 1ur9 s MET 287 Ca -0.01 1.15 -0.19 0.00 -1.25 0.00 0.00 55.69 55.40 1ur9 s MET 287 Cb -0.14 -3.60 -0.10 0.00 2.84 0.00 0.00 34.83 33.83 1ur9 s MET 287 CO -0.07 -0.44 0.88 0.20 -0.65 0.00 0.00 175.02 174.95 1ur9 s GLY 288 N 1.19 2.35 0.01 2.11 0.00 0.60 -0.21 107.32 113.37 1ur9 s GLY 288 Ca 0.41 0.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.39 1ur9 s GLY 288 CO 0.11 0.52 -0.01 -1.34 0.00 0.00 0.00 173.10 172.37 1ur9 s VAL 289 N -2.14 0.06 0.12 1.40 -7.23 0.91 -4.17 120.40 109.35 1ur9 s VAL 289 Ca 0.59 -0.51 -0.15 0.00 -1.81 0.00 0.00 61.98 60.10 1ur9 s VAL 289 Cb -0.09 -0.16 -0.07 0.00 0.56 0.00 0.00 36.38 36.62 1ur9 s VAL 289 CO 0.16 -0.28 0.54 -2.16 -0.31 0.00 0.00 175.10 173.05 1ur9 s PRO 290 N -0.82 4.01 -0.25 4.82 0.04 -1.26 -2.34 135.00 139.20 1ur9 s PRO 290 Ca -0.09 0.53 0.13 0.00 0.04 0.00 0.00 61.00 61.61 1ur9 s PRO 290 Cb -0.06 -3.02 0.66 0.00 0.04 0.00 0.00 34.50 32.13 1ur9 s PRO 290 CO -0.01 0.53 1.62 1.19 0.04 0.00 0.00 177.00 180.37 1ur9 n PHE 291 N 1.06 1.68 -4.06 0.56 3.01 -0.38 -4.50 117.46 114.84 1ur9 n PHE 291 Ca -0.07 -1.03 -0.10 0.00 1.01 0.00 0.00 57.45 57.26 1ur9 n PHE 291 Cb 0.52 -0.50 -0.08 0.00 -0.01 0.00 0.00 39.48 39.41 1ur9 n PHE 291 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1ur9 s TYR 292 N -2.92 0.65 0.31 1.38 -0.85 -1.26 -0.78 117.35 113.88 1ur9 s TYR 292 Ca 0.49 -1.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.10 1ur9 s TYR 292 Cb 0.40 -0.26 -0.06 0.00 0.38 0.00 0.00 41.96 42.41 1ur9 s TYR 292 CO 0.11 -0.64 -0.04 0.20 -1.52 0.00 0.00 175.55 173.66 1ur9 s GLY 293 N -3.02 2.02 -0.05 5.49 0.00 0.09 -4.50 107.32 107.35 1ur9 s GLY 293 Ca 0.22 -2.01 0.05 0.00 0.00 0.00 0.00 44.72 42.98 1ur9 s GLY 293 CO 0.02 -1.90 -0.21 0.50 0.00 0.00 0.00 173.10 171.51 1ur9 s ARG 294 N -3.73 2.12 0.13 2.90 0.52 -0.49 -1.90 118.95 118.51 1ur9 s ARG 294 Ca 0.32 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 1ur9 s ARG 294 Cb 0.05 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1ur9 s ARG 294 CO 0.14 0.32 -0.06 0.00 0.02 0.00 0.00 175.30 175.73 1ur9 s ALA 295 N -0.09 3.08 0.07 2.13 0.00 -0.02 -1.37 121.76 125.56 1ur9 s ALA 295 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1ur9 s ALA 295 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1ur9 s ALA 295 CO 0.03 0.59 -0.12 -0.06 0.00 0.00 0.00 175.76 176.19 1ur9 s PHE 296 N -1.44 1.08 0.24 0.00 0.40 0.91 -4.67 117.98 114.51 1ur9 s PHE 296 Ca 0.24 -0.52 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1ur9 s PHE 296 Cb -0.10 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 1ur9 s PHE 296 CO 0.16 0.02 -0.16 -1.59 0.70 0.00 0.00 175.22 174.35 1ur9 s LYS 297 N -2.03 1.49 -0.40 0.44 -2.85 -1.26 -1.12 119.74 114.00 1ur9 s LYS 297 Ca -0.01 -1.68 -0.01 0.00 -1.00 0.00 0.00 55.97 53.28 1ur9 s LYS 297 Cb -0.08 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 34.29 1ur9 s LYS 297 CO 0.01 0.24 0.10 0.41 0.10 0.00 0.00 175.35 176.21 1ur9 n GLY 298 N -0.49 0.31 3.87 0.59 0.00 0.24 -0.15 105.19 109.56 1ur9 n GLY 298 Ca -0.07 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1ur9 n GLY 298 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ur9 s VAL 299 N -2.54 4.93 0.39 1.61 -7.23 -1.08 -3.92 120.40 112.56 1ur9 s VAL 299 Ca 0.05 0.49 -0.15 0.00 -1.81 0.00 0.00 61.98 60.55 1ur9 s VAL 299 Cb -0.02 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.21 1ur9 s VAL 299 CO 0.06 -0.05 0.81 -0.44 -0.31 0.00 0.00 175.10 175.17 1ur9 s SER 300 N -2.32 6.72 0.71 4.85 0.01 -1.26 -4.68 113.70 117.73 1ur9 s SER 300 Ca 0.47 1.35 -0.04 0.00 1.31 0.00 0.00 55.95 59.04 1ur9 s SER 300 Cb -0.11 -2.41 0.10 0.00 0.21 0.00 0.00 66.02 63.80 1ur9 s SER 300 CO 0.21 -0.33 1.00 -0.83 0.41 0.00 0.00 173.24 173.70 1ur9 s GLY 301 N -2.58 1.75 0.00 3.44 0.00 -1.26 -3.85 107.32 104.83 1ur9 s GLY 301 Ca 0.55 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1ur9 s GLY 301 CO 0.22 -0.84 0.00 0.61 0.00 0.00 0.00 173.10 173.09 1ur9 n GLY 302 N -2.88 2.54 2.54 0.20 0.00 -1.26 -4.87 105.19 101.45 1ur9 n GLY 302 Ca 0.11 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1ur9 n GLY 302 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ur9 n ASN 303 N 0.04 2.81 -1.46 1.61 5.15 -1.26 -4.95 115.26 117.21 1ur9 n ASN 303 Ca 0.00 -2.66 -0.17 0.00 -0.60 0.00 0.00 54.58 51.15 1ur9 n ASN 303 Cb 0.00 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 38.77 1ur9 n ASN 303 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ur9 n GLY 304 N -0.64 1.16 2.28 8.20 0.00 -1.26 -1.57 105.19 113.36 1ur9 n GLY 304 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ur9 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur9 n GLY 305 N -0.93 1.59 3.79 -0.02 0.00 -1.25 -4.53 105.19 103.83 1ur9 n GLY 305 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1ur9 n GLY 305 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ur9 s GLN 306 N -0.24 4.08 -1.55 1.61 -0.21 -0.61 -3.98 119.66 118.76 1ur9 s GLN 306 Ca 0.00 1.43 -0.13 0.00 0.02 0.00 0.00 55.36 56.69 1ur9 s GLN 306 Cb 0.00 -2.40 0.09 0.00 1.00 0.00 0.00 33.01 31.70 1ur9 s GLN 306 CO 0.00 -0.20 0.86 0.66 -2.12 0.00 0.00 175.29 174.49 1ur9 n TYR 307 N -0.34 -2.06 -4.49 0.91 4.01 -0.66 -4.75 117.16 109.78 1ur9 n TYR 307 Ca 0.06 0.86 -0.24 0.00 -0.16 0.00 0.00 57.90 58.42 1ur9 n TYR 307 Cb 0.51 -3.73 -0.10 0.00 -0.31 0.00 0.00 39.34 35.71 1ur9 n TYR 307 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ur9 s SER 308 N -3.50 3.38 0.80 7.72 0.15 -1.26 -4.76 113.70 116.23 1ur9 s SER 308 Ca 0.56 -1.16 -0.11 0.00 0.70 0.00 0.00 55.95 55.94 1ur9 s SER 308 Cb -0.29 -0.28 0.07 0.00 -1.71 0.00 0.00 66.02 63.81 1ur9 s SER 308 CO 0.86 -0.21 1.09 -0.94 1.20 0.00 0.00 173.24 175.24 1ur9 s SER 309 N -3.53 4.30 0.30 5.45 1.04 -1.26 -1.17 113.70 118.82 1ur9 s SER 309 Ca 0.31 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 58.29 1ur9 s SER 309 Cb 0.02 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.76 1ur9 s SER 309 CO 0.14 -2.14 0.58 -1.38 0.98 0.00 0.00 173.24 171.42 1ur9 s HIS 310 N -2.94 0.36 -0.24 5.02 -3.43 -1.25 -3.98 115.29 108.83 1ur9 s HIS 310 Ca 0.61 -0.78 0.11 0.00 -0.80 0.00 0.00 55.06 54.21 1ur9 s HIS 310 Cb -0.17 0.35 0.45 0.00 -1.43 0.00 0.00 32.58 31.78 1ur9 s HIS 310 CO 0.56 -1.18 1.19 -1.13 -2.00 0.00 0.00 174.74 172.18 1ur9 n SER 311 N -0.80 3.28 -4.70 7.38 3.41 0.79 -4.96 113.62 118.01 1ur9 n SER 311 Ca -0.03 -3.52 -0.41 0.00 -0.26 0.00 0.00 58.87 54.66 1ur9 n SER 311 Cb 0.61 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1ur9 n SER 311 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ur9 s THR 312 N -3.77 4.96 0.36 6.66 2.01 -1.25 -4.88 115.64 119.73 1ur9 s THR 312 Ca 0.43 1.63 -0.28 0.00 0.31 0.00 0.00 61.69 63.77 1ur9 s THR 312 Cb 0.39 -4.13 -0.11 0.00 0.01 0.00 0.00 72.50 68.66 1ur9 s THR 312 CO -0.02 0.17 1.46 -2.84 -0.69 0.00 0.00 174.62 172.70 1ur9 s PRO 313 N 1.21 4.16 0.00 4.92 0.02 -1.26 -4.83 135.00 139.22 1ur9 s PRO 313 Ca 0.41 2.49 0.09 0.00 0.02 0.00 0.00 61.00 64.01 1ur9 s PRO 313 Cb -0.18 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.26 1ur9 s PRO 313 CO 0.19 -0.47 0.43 0.41 -0.33 0.00 0.00 177.00 177.23 1ur9 n GLY 314 N 0.72 0.08 3.83 0.52 0.00 -1.26 -4.82 105.19 104.27 1ur9 n GLY 314 Ca 0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1ur9 n GLY 314 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ur9 s GLU 315 N -1.77 3.25 -0.11 1.61 -1.05 -1.26 -4.70 118.70 114.67 1ur9 s GLU 315 Ca 0.04 0.93 0.03 0.00 -0.15 0.00 0.00 54.97 55.83 1ur9 s GLU 315 Cb 0.07 -2.03 0.01 0.00 -0.44 0.00 0.00 34.13 31.74 1ur9 s GLU 315 CO 0.35 -0.85 -0.20 0.34 0.95 0.00 0.00 175.26 175.86 1ur9 s ASP 316 N -3.70 2.77 0.76 0.83 2.15 -1.26 -3.66 116.67 114.56 1ur9 s ASP 316 Ca 0.58 -0.51 -0.10 0.00 0.43 0.00 0.00 52.55 52.95 1ur9 s ASP 316 Cb -0.13 -1.27 0.07 0.00 -0.30 0.00 0.00 42.92 41.29 1ur9 s ASP 316 CO 0.50 0.09 1.12 -2.16 -0.17 0.00 0.00 175.17 174.54 1ur9 s PRO 317 N 0.67 2.14 -0.06 4.34 0.04 -1.26 -5.08 135.00 135.80 1ur9 s PRO 317 Ca -0.12 0.03 -0.33 0.00 0.04 0.00 0.00 61.00 60.62 1ur9 s PRO 317 Cb -0.16 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1ur9 s PRO 317 CO 0.03 -1.42 1.90 0.98 0.04 0.00 0.00 177.00 178.53 1ur9 n TYR 318 N -3.15 2.37 0.06 0.56 9.36 -1.24 -4.92 117.16 120.19 1ur9 n TYR 318 Ca 0.08 -0.08 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1ur9 n TYR 318 Cb 0.60 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.61 1ur9 n TYR 318 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1ur9 h PRO 319 N 9.44 -0.14 -6.69 2.98 0.11 -1.95 -3.47 132.00 132.28 1ur9 h PRO 319 Ca -0.49 0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.14 1ur9 h PRO 319 Cb 1.26 0.03 0.23 0.00 0.11 0.00 0.00 31.00 32.63 1ur9 h PRO 319 CO 0.95 -0.09 -0.94 0.45 -0.21 0.00 0.00 178.00 178.15 1ur9 n SER 320 N -2.46 -2.37 -0.44 -2.05 2.88 -1.26 -4.95 113.62 102.96 1ur9 n SER 320 Ca -0.02 0.06 0.04 0.00 -1.33 0.00 0.00 58.87 57.63 1ur9 n SER 320 Cb 0.06 -1.04 0.11 0.00 -0.75 0.00 0.00 64.21 62.58 1ur9 n SER 320 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ur9 n THR 321 N -4.03 0.99 -2.63 2.46 5.66 -1.26 -4.91 114.28 110.56 1ur9 n THR 321 Ca 0.03 -0.99 -0.42 0.00 -3.05 0.00 0.00 64.05 59.62 1ur9 n THR 321 Cb 0.59 0.51 -0.03 0.00 -1.55 0.00 0.00 70.33 69.85 1ur9 n THR 321 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ur9 s ASP 322 N -1.00 6.24 -0.97 1.09 3.68 -1.26 -4.94 116.67 119.51 1ur9 s ASP 322 Ca 0.16 -0.78 -0.16 0.00 2.13 0.00 0.00 52.55 53.90 1ur9 s ASP 322 Cb 0.08 -2.53 0.17 0.00 -1.45 0.00 0.00 42.92 39.20 1ur9 s ASP 322 CO 0.11 -1.68 1.09 -0.31 0.13 0.00 0.00 175.17 174.51 1ur9 s TYR 323 N 5.16 3.47 -2.23 -5.34 2.02 -1.26 -4.85 117.35 114.32 1ur9 s TYR 323 Ca 0.34 -1.81 0.30 0.00 -0.37 0.00 0.00 57.07 55.53 1ur9 s TYR 323 Cb -0.08 -4.13 1.50 0.00 -0.40 0.00 0.00 41.96 38.85 1ur9 s TYR 323 CO 0.09 -1.29 2.00 -2.67 -1.57 0.00 0.00 175.55 172.11 1ur9 n TRP 324 N 5.35 0.00 -2.68 2.71 4.27 -1.26 -4.66 117.44 121.18 1ur9 n TRP 324 Ca 0.24 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.42 1ur9 n TRP 324 Cb 0.46 -0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.39 1ur9 n TRP 324 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1ur9 s LEU 325 N -2.01 4.05 -0.35 5.67 2.96 -1.26 -4.93 118.68 122.81 1ur9 s LEU 325 Ca 0.43 -1.94 -0.43 0.00 -0.22 0.00 0.00 54.13 51.97 1ur9 s LEU 325 Cb 0.22 -2.52 -0.19 0.00 0.50 0.00 0.00 46.19 44.19 1ur9 s LEU 325 CO 0.36 -1.27 1.39 0.52 -1.32 0.00 0.00 176.35 176.02 1ur9 n VAL 326 N 6.27 0.00 -0.67 1.68 0.31 -1.26 -0.72 118.33 123.94 1ur9 n VAL 326 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1ur9 n VAL 326 Cb 0.49 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1ur9 n VAL 326 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ur9 n GLY 327 N 3.16 1.20 3.42 2.92 0.00 -1.26 -4.99 105.19 109.64 1ur9 n GLY 327 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 1ur9 n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ur9 h GLU 329 N 8.76 0.00 -0.64 0.00 5.08 -1.94 -2.93 114.58 122.91 1ur9 h GLU 329 Ca 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1ur9 h GLU 329 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1ur9 h GLU 329 CO 1.05 0.34 0.17 1.49 -1.00 0.00 0.00 179.01 181.06 1ur9 h GLU 330 N 0.00 1.02 -0.16 2.33 4.81 -1.98 -1.31 114.58 119.29 1ur9 h GLU 330 Ca -0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1ur9 h GLU 330 Cb 1.13 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1ur9 h GLU 330 CO 0.04 0.91 0.01 0.00 -0.73 0.00 0.00 179.01 179.24 1ur9 h VAL 332 N 0.23 1.39 -0.60 0.00 2.07 -1.34 0.38 116.25 118.37 1ur9 h VAL 332 Ca 0.06 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 1ur9 h VAL 332 Cb 0.15 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1ur9 h VAL 332 CO 0.00 0.53 0.37 -0.09 0.02 0.00 0.00 177.57 178.40 1ur9 h ARG 333 N 0.02 0.81 -0.01 1.57 2.43 -0.58 -2.70 114.38 115.91 1ur9 h ARG 333 Ca -0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1ur9 h ARG 333 Cb 1.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1ur9 h ARG 333 CO 0.09 0.58 -0.15 -0.25 -1.51 0.00 0.00 179.97 178.73 1ur9 n ASP 334 N -4.62 1.37 -3.26 -3.80 8.00 0.33 -4.99 116.55 109.57 1ur9 n ASP 334 Ca 0.04 -1.22 -0.14 0.00 0.71 0.00 0.00 54.79 54.18 1ur9 n ASP 334 Cb 0.05 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.29 1ur9 n ASP 334 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ur9 n LYS 335 N -0.18 -1.91 -3.15 -1.24 5.02 0.11 -5.02 118.16 111.79 1ur9 n LYS 335 Ca 0.15 0.97 0.06 0.00 -2.02 0.00 0.00 58.31 57.47 1ur9 n LYS 335 Cb 0.37 -5.57 -0.01 0.00 -0.02 0.00 0.00 35.03 29.80 1ur9 n LYS 335 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ur9 s ASP 336 N -3.30 -0.08 0.00 4.39 -1.08 0.16 -4.61 116.67 112.16 1ur9 s ASP 336 Ca 0.35 0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.54 1ur9 s ASP 336 Cb -0.06 1.06 0.55 0.00 -1.46 0.00 0.00 42.92 43.01 1ur9 s ASP 336 CO 0.76 -0.01 1.39 -0.81 0.52 0.00 0.00 175.17 177.01 1ur9 n PRO 337 N 5.34 1.41 0.00 4.34 -0.04 -1.26 -3.85 135.00 140.93 1ur9 n PRO 337 Ca -0.03 -0.62 0.13 0.00 -0.04 0.00 0.00 63.50 62.94 1ur9 n PRO 337 Cb 0.56 -1.25 0.35 0.00 -0.04 0.00 0.00 33.50 33.13 1ur9 n PRO 337 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ur9 n ARG 338 N -0.08 0.32 -3.79 0.54 1.74 -1.26 -4.53 116.66 109.59 1ur9 n ARG 338 Ca 0.11 -0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.89 1ur9 n ARG 338 Cb 0.18 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1ur9 n ARG 338 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ur9 s ILE 339 N -2.80 0.04 -0.07 0.55 -1.16 -1.25 -0.84 121.20 115.66 1ur9 s ILE 339 Ca 0.17 -0.30 -0.13 0.00 -0.51 0.00 0.00 60.65 59.89 1ur9 s ILE 339 Cb 0.18 -0.46 0.03 0.00 0.61 0.00 0.00 42.46 42.82 1ur9 s ILE 339 CO 0.61 -0.16 0.31 0.00 -2.81 0.00 0.00 174.94 172.88 1ur9 s ALA 340 N -0.64 -0.77 0.67 1.50 0.00 -0.80 -4.73 121.76 117.00 1ur9 s ALA 340 Ca -0.07 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1ur9 s ALA 340 Cb -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1ur9 s ALA 340 CO 0.02 -0.20 1.11 -1.54 0.00 0.00 0.00 175.76 175.15 1ur9 s SER 341 N -0.58 5.02 0.34 0.00 1.04 -1.26 -0.74 113.70 117.53 1ur9 s SER 341 Ca -0.07 1.99 0.05 0.00 0.48 0.00 0.00 55.95 58.41 1ur9 s SER 341 Cb -0.04 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.23 1ur9 s SER 341 CO 0.02 -1.69 1.90 0.22 0.98 0.00 0.00 173.24 174.68 1ur9 h TYR 342 N -0.09 0.88 -0.38 5.02 3.20 -0.83 -0.33 116.97 124.44 1ur9 h TYR 342 Ca -0.46 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.50 1ur9 h TYR 342 Cb 1.25 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 1ur9 h TYR 342 CO 0.55 0.41 -0.07 -0.09 -1.64 0.00 0.00 178.16 177.31 1ur9 h ARG 343 N 0.82 0.02 -0.29 1.82 2.43 -1.68 0.16 114.38 117.66 1ur9 h ARG 343 Ca 0.40 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1ur9 h ARG 343 Cb 0.43 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1ur9 h ARG 343 CO -0.16 0.01 -0.02 0.37 -1.51 0.00 0.00 179.97 178.66 1ur9 h GLN 344 N 0.02 0.53 -0.83 0.20 5.75 -1.59 -2.90 115.11 116.30 1ur9 h GLN 344 Ca 0.18 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1ur9 h GLN 344 Cb 0.28 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1ur9 h GLN 344 CO -0.37 0.69 0.54 -0.07 -2.65 0.00 0.00 178.83 176.97 1ur9 h LEU 345 N 0.31 0.91 -0.94 -2.39 3.38 -0.47 -0.58 115.31 115.54 1ur9 h LEU 345 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ur9 h LEU 345 Cb 0.46 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1ur9 h LEU 345 CO 0.02 0.64 0.27 -0.08 0.09 0.00 0.00 178.44 179.38 1ur9 h GLU 346 N 1.07 1.04 0.00 1.13 4.81 -0.60 -2.11 114.58 119.92 1ur9 h GLU 346 Ca 0.32 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1ur9 h GLU 346 Cb -0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1ur9 h GLU 346 CO -0.08 0.85 -0.36 1.96 -0.73 0.00 0.00 179.01 180.65 1ur9 h GLN 347 N 1.01 0.00 -0.37 1.92 4.20 -1.03 -2.57 115.11 118.28 1ur9 h GLN 347 Ca 0.23 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.80 1ur9 h GLN 347 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1ur9 h GLN 347 CO -0.02 0.36 -0.35 0.52 -0.67 0.00 0.00 178.83 178.67 1ur9 h MET 348 N 0.00 0.85 -0.30 1.46 2.86 -0.51 0.11 114.93 119.41 1ur9 h MET 348 Ca -0.00 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.19 1ur9 h MET 348 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1ur9 h MET 348 CO 0.05 1.07 0.10 -0.07 1.06 0.00 0.00 176.91 179.11 1ur9 h LEU 349 N 0.71 0.43 -1.94 1.22 3.38 -1.27 -2.20 115.31 115.62 1ur9 h LEU 349 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1ur9 h LEU 349 Cb 0.92 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1ur9 h LEU 349 CO 0.08 0.50 -0.11 1.56 0.09 0.00 0.00 178.44 180.57 1ur9 h GLN 350 N 0.32 0.00 0.00 1.13 4.20 -1.25 -2.87 115.11 116.64 1ur9 h GLN 350 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1ur9 h GLN 350 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ur9 h GLN 350 CO -0.00 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 178.67 1ur9 n GLY 351 N -0.99 -0.52 3.95 3.46 0.00 0.35 -4.86 105.19 106.59 1ur9 n GLY 351 Ca -0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1ur9 n GLY 351 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ur9 n ASN 352 N -1.04 -3.24 -0.56 1.61 5.15 -1.08 -4.84 115.26 111.26 1ur9 n ASN 352 Ca 0.11 -0.87 0.09 0.00 -0.60 0.00 0.00 54.58 53.31 1ur9 n ASN 352 Cb 0.06 -3.55 0.32 0.00 -0.53 0.00 0.00 39.78 36.08 1ur9 n ASN 352 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ur9 n TYR 353 N -4.52 0.27 -0.45 1.20 4.01 -1.25 -4.93 117.16 111.49 1ur9 n TYR 353 Ca -0.06 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1ur9 n TYR 353 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1ur9 n TYR 353 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ur9 n GLY 354 N 1.10 0.74 3.78 2.72 0.00 -1.26 -5.03 105.19 107.24 1ur9 n GLY 354 Ca 0.15 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1ur9 n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ur9 s TYR 355 N -2.00 3.75 -0.26 1.61 2.02 -1.26 -4.44 117.35 116.77 1ur9 s TYR 355 Ca 0.00 1.26 -0.09 0.00 -0.37 0.00 0.00 57.07 57.87 1ur9 s TYR 355 Cb 0.00 -2.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1ur9 s TYR 355 CO 0.00 0.46 0.13 -0.65 -1.57 0.00 0.00 175.55 173.91 1ur9 s GLN 356 N -0.61 3.81 -0.54 -0.62 -0.21 -0.37 -4.94 119.66 116.18 1ur9 s GLN 356 Ca 0.31 -0.39 -0.26 0.00 0.02 0.00 0.00 55.36 55.03 1ur9 s GLN 356 Cb -0.19 -3.48 0.03 0.00 1.00 0.00 0.00 33.01 30.37 1ur9 s GLN 356 CO 0.19 -0.16 1.04 0.50 -2.12 0.00 0.00 175.29 174.73 1ur9 s ARG 357 N 1.62 3.46 0.29 2.91 3.00 -1.26 -1.95 118.95 127.01 1ur9 s ARG 357 Ca 0.07 0.04 0.07 0.00 -1.00 0.00 0.00 55.73 54.91 1ur9 s ARG 357 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 34.95 30.76 1ur9 s ARG 357 CO 0.07 -1.49 0.27 -0.51 0.00 0.00 0.00 175.30 173.64 1ur9 s LEU 358 N 4.28 3.81 -0.06 -0.88 1.43 0.65 -4.97 118.68 122.95 1ur9 s LEU 358 Ca 0.37 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1ur9 s LEU 358 Cb -0.10 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1ur9 s LEU 358 CO 0.23 -0.18 -0.08 0.86 0.23 0.00 0.00 176.35 177.41 1ur9 s TRP 359 N -2.18 1.08 -0.36 0.29 -0.11 -1.26 -1.51 118.94 114.90 1ur9 s TRP 359 Ca 0.37 -0.37 -0.14 0.00 1.22 0.00 0.00 56.10 57.18 1ur9 s TRP 359 Cb -0.07 -0.86 -0.01 0.00 -1.50 0.00 0.00 33.47 31.03 1ur9 s TRP 359 CO 0.26 -0.24 0.31 1.21 -4.62 0.00 0.00 176.95 173.87 1ur9 s ASN 360 N 0.83 6.12 0.00 5.86 3.84 -0.68 -4.95 114.94 125.97 1ur9 s ASN 360 Ca -0.12 -0.43 0.31 0.00 0.21 0.00 0.00 52.86 52.83 1ur9 s ASN 360 Cb -0.15 -2.17 1.66 0.00 -0.55 0.00 0.00 41.25 40.04 1ur9 s ASN 360 CO 0.01 -0.33 2.12 -0.67 -2.79 0.00 0.00 177.10 175.44 1ur9 n ASP 361 N 5.26 0.02 -0.10 -4.21 2.03 -1.26 -0.84 116.55 117.45 1ur9 n ASP 361 Ca -0.11 -0.49 -0.19 0.00 0.52 0.00 0.00 54.79 54.53 1ur9 n ASP 361 Cb 0.49 -0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 40.62 1ur9 n ASP 361 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ur9 n LYS 362 N -1.16 0.54 0.11 -0.67 4.76 -1.26 -4.29 118.16 116.19 1ur9 n LYS 362 Ca 0.18 0.57 0.13 0.00 -2.87 0.00 0.00 58.31 56.32 1ur9 n LYS 362 Cb 0.19 -1.74 0.42 0.00 -1.84 0.00 0.00 35.03 32.06 1ur9 n LYS 362 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ur9 n THR 363 N -4.47 0.62 -3.63 -0.18 -2.24 -1.23 -4.00 114.28 99.15 1ur9 n THR 363 Ca -0.28 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.03 1ur9 n THR 363 Cb 0.61 -0.65 0.07 0.00 -2.10 0.00 0.00 70.33 68.26 1ur9 n THR 363 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ur9 n LYS 364 N -2.26 -7.23 -4.03 -0.78 4.76 -0.02 -1.59 118.16 107.02 1ur9 n LYS 364 Ca 0.05 0.79 -0.11 0.00 -2.87 0.00 0.00 58.31 56.17 1ur9 n LYS 364 Cb 0.41 -5.79 -0.11 0.00 -1.84 0.00 0.00 35.03 27.70 1ur9 n LYS 364 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ur9 s THR 365 N -3.34 0.34 0.57 -0.18 -4.23 -1.13 -4.42 115.64 103.26 1ur9 s THR 365 Ca 0.48 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1ur9 s THR 365 Cb -0.22 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.15 1ur9 s THR 365 CO 0.75 -0.46 0.85 -2.16 -0.54 0.00 0.00 174.62 173.06 1ur9 s PRO 366 N -1.62 2.78 -0.04 3.99 0.04 -1.25 -1.69 135.00 137.21 1ur9 s PRO 366 Ca -0.12 -0.26 -0.29 0.00 0.04 0.00 0.00 61.00 60.37 1ur9 s PRO 366 Cb -0.09 -2.35 0.09 0.00 0.04 0.00 0.00 34.50 32.19 1ur9 s PRO 366 CO -0.01 -0.70 0.76 1.52 0.04 0.00 0.00 177.00 178.61 1ur9 s TYR 367 N -2.91 -0.55 -0.03 0.56 1.13 -0.57 -3.78 117.35 111.21 1ur9 s TYR 367 Ca 0.54 0.82 0.00 0.00 -1.41 0.00 0.00 57.07 57.02 1ur9 s TYR 367 Cb -0.10 0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 41.17 1ur9 s TYR 367 CO 0.43 -0.58 0.01 -0.51 -2.51 0.00 0.00 175.55 172.38 1ur9 s LEU 368 N -1.52 3.55 -0.09 -3.49 1.43 -0.30 -0.25 118.68 118.01 1ur9 s LEU 368 Ca -0.06 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1ur9 s LEU 368 Cb -0.00 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1ur9 s LEU 368 CO 0.03 0.32 -0.08 -0.47 0.23 0.00 0.00 176.35 176.37 1ur9 s TYR 369 N -1.02 1.37 -0.77 0.29 5.04 -0.82 -1.62 117.35 119.81 1ur9 s TYR 369 Ca 0.17 -0.59 -0.05 0.00 -2.44 0.00 0.00 57.07 54.16 1ur9 s TYR 369 Cb -0.11 -1.10 0.20 0.00 0.35 0.00 0.00 41.96 41.29 1ur9 s TYR 369 CO 0.08 -0.40 0.64 -1.58 -1.34 0.00 0.00 175.55 172.95 1ur9 s HIS 370 N 1.29 3.66 -0.57 4.97 5.65 -0.38 -1.24 115.29 128.66 1ur9 s HIS 370 Ca -0.03 -2.64 -0.28 0.00 0.25 0.00 0.00 55.06 52.36 1ur9 s HIS 370 Cb -0.14 -3.38 0.01 0.00 -1.18 0.00 0.00 32.58 27.89 1ur9 s HIS 370 CO -0.03 -0.85 1.50 0.00 -0.65 0.00 0.00 174.74 174.70 1ur9 s ALA 371 N -0.43 2.70 0.00 1.58 0.00 -1.26 -2.11 121.76 122.24 1ur9 s ALA 371 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1ur9 s ALA 371 Cb -0.14 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1ur9 s ALA 371 CO -0.07 -3.10 0.00 1.04 0.00 0.00 0.00 175.76 173.63 1ur9 n GLN 372 N 8.80 0.00 0.00 0.00 6.02 -1.26 -4.90 117.38 126.04 1ur9 n GLN 372 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1ur9 n GLN 372 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1ur9 n GLN 372 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ur9 n ASN 373 N 0.00 1.22 -3.13 1.08 4.13 -1.14 -5.03 115.26 112.38 1ur9 n ASN 373 Ca 0.00 -1.38 -0.10 0.00 1.68 0.00 0.00 54.58 54.78 1ur9 n ASN 373 Cb 0.00 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 1ur9 n ASN 373 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ur9 n GLY 374 N -0.19 -1.12 3.40 7.41 0.00 -0.90 -4.30 105.19 109.49 1ur9 n GLY 374 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 1ur9 n GLY 374 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ur9 s LEU 375 N -4.88 2.39 -0.02 0.99 1.43 -1.13 -0.59 118.68 116.88 1ur9 s LEU 375 Ca 0.31 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1ur9 s LEU 375 Cb -0.04 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1ur9 s LEU 375 CO 0.71 0.23 -0.07 0.12 0.23 0.00 0.00 176.35 177.58 1ur9 s PHE 376 N -0.94 0.72 -0.06 0.29 5.36 -0.28 -1.25 117.98 121.82 1ur9 s PHE 376 Ca 0.14 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1ur9 s PHE 376 Cb -0.10 -0.52 0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1ur9 s PHE 376 CO 0.05 -0.07 -0.05 0.08 -1.46 0.00 0.00 175.22 173.77 1ur9 s VAL 377 N 0.15 0.64 -0.15 3.12 1.01 -0.64 -0.06 120.40 124.46 1ur9 s VAL 377 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1ur9 s VAL 377 Cb -0.07 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1ur9 s VAL 377 CO -0.00 0.27 -0.04 0.28 0.00 0.00 0.00 175.10 175.61 1ur9 s THR 378 N 1.21 3.87 0.38 3.92 -1.32 -0.47 -1.15 115.64 122.08 1ur9 s THR 378 Ca -0.06 -0.37 -0.14 0.00 -1.21 0.00 0.00 61.69 59.91 1ur9 s THR 378 Cb -0.14 -2.69 0.05 0.00 -1.51 0.00 0.00 72.50 68.21 1ur9 s THR 378 CO -0.02 0.50 0.76 -0.72 -2.21 0.00 0.00 174.62 172.93 1ur9 s TYR 379 N 0.31 0.21 0.22 9.09 1.13 -1.25 -1.39 117.35 125.67 1ur9 s TYR 379 Ca -0.04 -0.85 0.09 0.00 -1.41 0.00 0.00 57.07 54.87 1ur9 s TYR 379 Cb -0.14 0.76 -0.05 0.00 -1.10 0.00 0.00 41.96 41.43 1ur9 s TYR 379 CO 0.03 -1.54 -0.18 -0.51 -2.51 0.00 0.00 175.55 170.85 1ur9 s ASP 380 N -3.09 2.95 0.15 -0.18 1.11 -1.26 -3.96 116.67 112.39 1ur9 s ASP 380 Ca 0.17 -0.97 -0.02 0.00 0.18 0.00 0.00 52.55 51.91 1ur9 s ASP 380 Cb -0.05 -0.20 0.01 0.00 1.07 0.00 0.00 42.92 43.75 1ur9 s ASP 380 CO 0.12 -0.06 0.22 -0.90 1.18 0.00 0.00 175.17 175.74 1ur9 n ASP 381 N -0.23 -0.63 0.27 0.27 5.75 -1.26 -4.90 116.55 115.82 1ur9 n ASP 381 Ca -0.09 -1.78 0.17 0.00 -0.01 0.00 0.00 54.79 53.08 1ur9 n ASP 381 Cb 0.59 1.15 0.93 0.00 -1.03 0.00 0.00 41.12 42.75 1ur9 n ASP 381 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ur9 h ALA 382 N 1.73 1.54 0.13 2.12 0.00 -1.94 -1.17 119.26 121.67 1ur9 h ALA 382 Ca -0.12 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1ur9 h ALA 382 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ur9 h ALA 382 CO 0.16 -0.13 -0.80 1.49 0.00 0.00 0.00 179.25 179.97 1ur9 h GLU 383 N 0.00 0.28 0.00 0.00 4.57 -1.98 -3.08 114.58 114.38 1ur9 h GLU 383 Ca 0.03 -0.48 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1ur9 h GLU 383 Cb 0.21 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1ur9 h GLU 383 CO -0.00 1.23 -0.18 0.66 -1.18 0.00 0.00 179.01 179.54 1ur9 h SER 384 N -0.40 0.00 0.72 1.04 4.64 -1.66 -1.90 113.55 115.98 1ur9 h SER 384 Ca -0.14 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 1ur9 h SER 384 Cb 1.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1ur9 h SER 384 CO 0.14 0.18 -0.15 -0.26 -0.87 0.00 0.00 176.83 175.87 1ur9 h PHE 385 N 0.00 0.00 -0.35 4.77 0.04 -1.23 -2.27 116.94 117.90 1ur9 h PHE 385 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1ur9 h PHE 385 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1ur9 h PHE 385 CO 0.00 0.15 0.04 0.87 -0.60 0.00 0.00 178.31 178.76 1ur9 h LYS 386 N 0.00 0.59 -0.26 1.51 1.57 -1.25 -0.02 116.57 118.71 1ur9 h LYS 386 Ca -0.00 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 1ur9 h LYS 386 Cb 0.54 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ur9 h LYS 386 CO 0.02 0.68 -0.51 1.88 -0.57 0.00 0.00 179.45 180.95 1ur9 h TYR 387 N 0.41 0.92 -0.25 -1.35 0.05 -1.55 -2.03 116.97 113.17 1ur9 h TYR 387 Ca 0.10 -0.31 -0.12 0.00 0.05 0.00 0.00 58.73 58.44 1ur9 h TYR 387 Cb 0.39 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1ur9 h TYR 387 CO 0.03 1.10 -0.36 0.87 -1.05 0.00 0.00 178.16 178.74 1ur9 h LYS 388 N 0.58 0.57 -0.34 4.88 1.57 -1.31 -1.36 116.57 121.16 1ur9 h LYS 388 Ca 0.02 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1ur9 h LYS 388 Cb 1.08 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1ur9 h LYS 388 CO 0.11 0.85 -0.19 0.00 -0.57 0.00 0.00 179.45 179.64 1ur9 h ALA 389 N 1.13 1.02 -0.32 3.86 0.00 -0.92 -0.87 119.26 123.16 1ur9 h ALA 389 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1ur9 h ALA 389 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ur9 h ALA 389 CO 0.07 0.59 -0.36 -0.22 0.00 0.00 0.00 179.25 179.33 1ur9 h LYS 390 N 0.57 0.73 -0.41 0.00 3.64 -1.11 -1.99 116.57 118.02 1ur9 h LYS 390 Ca 0.09 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1ur9 h LYS 390 Cb 0.65 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1ur9 h LYS 390 CO 0.05 0.97 0.19 -0.92 -2.27 0.00 0.00 179.45 177.47 1ur9 h TYR 391 N 0.61 0.59 -0.94 1.91 3.20 -0.97 0.17 116.97 121.53 1ur9 h TYR 391 Ca 0.06 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1ur9 h TYR 391 Cb 0.89 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.93 1ur9 h TYR 391 CO 0.05 0.49 0.62 0.82 -1.64 0.00 0.00 178.16 178.50 1ur9 h ILE 392 N 0.52 1.21 -0.06 1.81 2.04 -1.03 0.19 117.51 122.18 1ur9 h ILE 392 Ca 0.14 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1ur9 h ILE 392 Cb 0.12 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1ur9 h ILE 392 CO -0.02 0.23 -0.07 0.11 0.00 0.00 0.00 178.15 178.40 1ur9 h LYS 393 N 1.24 0.15 -0.85 2.37 1.57 -0.85 -1.31 116.57 118.89 1ur9 h LYS 393 Ca 0.36 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ur9 h LYS 393 Cb -0.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1ur9 h LYS 393 CO -0.09 0.62 0.53 1.96 -0.57 0.00 0.00 179.45 181.90 1ur9 h GLN 394 N -0.31 1.15 -0.06 3.15 4.20 -0.37 -2.36 115.11 120.51 1ur9 h GLN 394 Ca 0.01 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ur9 h GLN 394 Cb 0.60 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ur9 h GLN 394 CO 0.02 0.80 0.00 1.04 -0.67 0.00 0.00 178.83 180.01 1ur9 n GLN 395 N -4.44 1.43 -3.85 1.46 1.13 0.62 -4.94 117.38 108.79 1ur9 n GLN 395 Ca 0.09 -0.64 -0.27 0.00 -1.94 0.00 0.00 57.00 54.24 1ur9 n GLN 395 Cb 0.04 -1.41 0.02 0.00 0.11 0.00 0.00 30.24 29.01 1ur9 n GLN 395 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1ur9 n GLN 396 N -0.18 -5.00 -1.98 -1.09 6.02 -0.89 -4.91 117.38 109.36 1ur9 n GLN 396 Ca 0.18 0.58 -0.29 0.00 -0.01 0.00 0.00 57.00 57.45 1ur9 n GLN 396 Cb 0.24 -5.27 0.05 0.00 1.02 0.00 0.00 30.24 26.28 1ur9 n GLN 396 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ur9 s LEU 397 N -7.02 2.90 0.47 1.08 1.43 -0.53 -3.14 118.68 113.87 1ur9 s LEU 397 Ca 0.35 1.01 0.27 0.00 -1.03 0.00 0.00 54.13 54.73 1ur9 s LEU 397 Cb -0.18 -3.77 0.95 0.00 0.03 0.00 0.00 46.19 43.22 1ur9 s LEU 397 CO 0.83 -1.37 1.83 1.23 0.23 0.00 0.00 176.35 179.10 1ur9 h GLY 398 N -0.62 0.00 0.00 -3.19 0.00 0.06 -3.45 103.07 95.87 1ur9 h GLY 398 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ur9 h GLY 398 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1ur9 n GLY 399 N 0.33 -0.24 3.31 4.60 0.00 -1.23 -0.83 105.19 111.13 1ur9 n GLY 399 Ca 0.01 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1ur9 n GLY 399 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur9 s VAL 400 N -3.39 1.84 0.11 1.61 0.11 -0.04 -1.31 120.40 119.32 1ur9 s VAL 400 Ca 0.00 -1.61 0.05 0.00 -2.93 0.00 0.00 61.98 57.50 1ur9 s VAL 400 Cb 0.00 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 1ur9 s VAL 400 CO 0.00 -0.03 -0.14 -0.32 -3.33 0.00 0.00 175.10 171.28 1ur9 s MET 401 N -1.97 0.95 -0.03 1.54 0.00 0.70 -0.77 119.30 119.73 1ur9 s MET 401 Ca 0.08 -1.16 -0.09 0.00 0.00 0.00 0.00 55.69 54.53 1ur9 s MET 401 Cb -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 34.83 33.89 1ur9 s MET 401 CO 0.05 0.17 0.20 -0.59 0.00 0.00 0.00 175.02 174.84 1ur9 s PHE 402 N -1.93 -0.10 -0.24 4.11 -0.71 -0.25 -0.06 117.98 118.80 1ur9 s PHE 402 Ca 0.06 0.18 0.02 0.00 -1.04 0.00 0.00 56.93 56.15 1ur9 s PHE 402 Cb -0.06 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1ur9 s PHE 402 CO 0.02 -0.25 -0.12 -0.46 -1.34 0.00 0.00 175.22 173.07 1ur9 s TRP 403 N -0.88 3.11 0.08 3.49 -0.11 -0.99 -1.25 118.94 122.39 1ur9 s TRP 403 Ca -0.10 -2.02 -0.04 0.00 1.22 0.00 0.00 56.10 55.17 1ur9 s TRP 403 Cb -0.05 -1.95 -0.03 0.00 -1.50 0.00 0.00 33.47 29.94 1ur9 s TRP 403 CO 0.02 -0.84 0.06 -3.38 -4.62 0.00 0.00 176.95 168.19 1ur9 s HIS 404 N 1.19 0.46 0.33 5.86 -3.43 -1.26 -1.24 115.29 117.20 1ur9 s HIS 404 Ca -0.04 -0.94 0.11 0.00 -0.80 0.00 0.00 55.06 53.39 1ur9 s HIS 404 Cb -0.18 -0.29 0.95 0.00 -1.43 0.00 0.00 32.58 31.63 1ur9 s HIS 404 CO -0.07 -0.47 1.71 1.25 -2.00 0.00 0.00 174.74 175.16 1ur9 h LEU 405 N 2.96 0.63 0.00 5.38 5.85 -0.95 -0.50 115.31 128.68 1ur9 h LEU 405 Ca -0.34 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ur9 h LEU 405 Cb 1.17 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1ur9 h LEU 405 CO 0.61 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 1ur9 n GLY 406 N -1.31 -0.67 0.68 3.75 0.00 -1.26 -2.37 105.19 104.01 1ur9 n GLY 406 Ca 0.28 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1ur9 n GLY 406 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ur9 n GLN 407 N -1.39 1.68 -1.40 1.61 6.02 -0.19 -4.70 117.38 119.01 1ur9 n GLN 407 Ca 0.03 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.36 1ur9 n GLN 407 Cb 0.08 -1.47 0.12 0.00 1.02 0.00 0.00 30.24 29.99 1ur9 n GLN 407 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ur9 s ASP 408 N -2.26 3.94 0.94 1.08 -1.08 -1.00 -2.33 116.67 115.97 1ur9 s ASP 408 Ca 0.23 1.35 -0.14 0.00 -0.52 0.00 0.00 52.55 53.48 1ur9 s ASP 408 Cb 0.19 -2.05 0.16 0.00 -1.46 0.00 0.00 42.92 39.76 1ur9 s ASP 408 CO 0.45 -2.32 1.18 0.54 0.52 0.00 0.00 175.17 175.54 1ur9 s ASN 409 N -3.70 3.26 0.44 -0.34 2.20 -1.26 -4.46 114.94 111.08 1ur9 s ASN 409 Ca 0.62 0.73 0.10 0.00 -0.94 0.00 0.00 52.86 53.37 1ur9 s ASN 409 Cb -0.16 -1.13 0.97 0.00 -2.00 0.00 0.00 41.25 38.94 1ur9 s ASN 409 CO 0.55 -2.68 2.07 0.03 -2.94 0.00 0.00 177.10 174.13 1ur9 h ARG 410 N -1.59 0.40 0.00 3.55 2.47 -1.96 -0.35 114.38 116.91 1ur9 h ARG 410 Ca -0.48 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1ur9 h ARG 410 Cb 1.30 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1ur9 h ARG 410 CO 0.54 0.27 0.00 0.09 0.56 0.00 0.00 179.97 181.42 1ur9 n ASN 411 N -4.49 0.03 -1.80 7.04 3.02 -1.26 -4.91 115.26 112.89 1ur9 n ASN 411 Ca 0.03 0.50 -0.11 0.00 -0.03 0.00 0.00 54.58 54.97 1ur9 n ASN 411 Cb 0.12 -0.51 0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1ur9 n ASN 411 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ur9 n GLY 412 N 1.25 0.20 0.31 7.41 0.00 -0.14 -4.94 105.19 109.27 1ur9 n GLY 412 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1ur9 n GLY 412 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ur9 h ASP 413 N -1.04 0.81 -0.29 1.61 3.32 -1.91 -1.46 116.42 117.45 1ur9 h ASP 413 Ca -0.26 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 1ur9 h ASP 413 Cb 1.17 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1ur9 h ASP 413 CO 0.26 0.80 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.37 1ur9 h LEU 414 N 0.84 0.63 -0.62 1.55 3.38 -1.92 -0.62 115.31 118.55 1ur9 h LEU 414 Ca 0.18 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1ur9 h LEU 414 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ur9 h LEU 414 CO -0.00 0.90 -0.04 0.25 0.09 0.00 0.00 178.44 179.64 1ur9 h LEU 415 N 0.36 1.03 -1.30 1.67 5.85 -1.96 -2.47 115.31 118.50 1ur9 h LEU 415 Ca 0.06 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1ur9 h LEU 415 Cb 0.67 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1ur9 h LEU 415 CO 0.04 1.10 0.17 0.00 -0.34 0.00 0.00 178.44 179.41 1ur9 h ALA 416 N 0.99 1.45 -0.33 1.25 0.00 -1.15 -2.08 119.26 119.40 1ur9 h ALA 416 Ca 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ur9 h ALA 416 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ur9 h ALA 416 CO 0.04 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.63 1ur9 h ALA 417 N 1.55 0.45 -0.21 0.00 0.00 -0.79 -0.37 119.26 119.90 1ur9 h ALA 417 Ca 0.16 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ur9 h ALA 417 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ur9 h ALA 417 CO -0.01 0.29 0.09 -0.07 0.00 0.00 0.00 179.25 179.54 1ur9 h LEU 418 N 0.41 0.12 -0.97 0.00 3.38 -1.10 -0.76 115.31 116.39 1ur9 h LEU 418 Ca 0.08 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ur9 h LEU 418 Cb 0.57 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1ur9 h LEU 418 CO 0.03 0.10 0.63 -0.78 0.09 0.00 0.00 178.44 178.51 1ur9 h ASP 419 N 0.20 1.12 -0.13 -0.43 3.58 -1.29 -2.93 116.42 116.54 1ur9 h ASP 419 Ca 0.09 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ur9 h ASP 419 Cb 0.04 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1ur9 h ASP 419 CO -0.07 0.82 0.07 -0.09 -2.88 0.00 0.00 179.24 177.09 1ur9 h ARG 420 N 1.32 0.18 0.00 0.28 2.43 -0.44 -0.39 114.38 117.76 1ur9 h ARG 420 Ca 0.35 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1ur9 h ARG 420 Cb -0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1ur9 h ARG 420 CO -0.07 0.21 -0.17 1.88 -1.51 0.00 0.00 179.97 180.30 1ur9 h TYR 421 N 0.11 0.00 0.02 2.20 0.05 -1.00 -0.12 116.97 118.24 1ur9 h TYR 421 Ca 0.05 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.51 1ur9 h TYR 421 Cb 0.08 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.77 1ur9 h TYR 421 CO -0.04 0.17 -1.86 1.19 -1.05 0.00 0.00 178.16 176.57 1ur9 n PHE 422 N -4.13 0.91 0.00 4.88 3.72 -1.12 -4.75 117.46 116.96 1ur9 n PHE 422 Ca -0.02 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 1ur9 n PHE 422 Cb 0.25 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 1ur9 n PHE 422 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ur9 n ASN 423 N -3.09 1.49 -4.68 4.37 3.02 -0.17 -4.96 115.26 111.24 1ur9 n ASN 423 Ca -0.22 -0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.62 1ur9 n ASN 423 Cb 1.06 0.86 -0.03 0.00 -0.61 0.00 0.00 39.78 41.07 1ur9 n ASN 423 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ur9 s ALA 424 N -1.16 3.57 0.40 5.41 0.00 -0.07 -4.89 121.76 125.01 1ur9 s ALA 424 Ca 0.00 0.72 0.20 0.00 0.00 0.00 0.00 51.96 52.88 1ur9 s ALA 424 Cb 0.00 -3.58 1.11 0.00 0.00 0.00 0.00 23.12 20.65 1ur9 s ALA 424 CO 0.00 -0.94 1.97 0.00 0.00 0.00 0.00 175.76 176.79 1ur9 h ALA 425 N 7.89 1.40 -0.49 0.00 0.00 -1.96 -2.56 119.26 123.54 1ur9 h ALA 425 Ca -0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ur9 h ALA 425 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ur9 h ALA 425 CO 0.91 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 180.02 1ur9 n ASP 426 N -3.92 3.60 -4.52 0.00 5.68 -1.26 -4.81 116.55 111.31 1ur9 n ASP 426 Ca -0.02 -2.31 -0.34 0.00 -0.50 0.00 0.00 54.79 51.63 1ur9 n ASP 426 Cb 0.29 -0.49 -0.12 0.00 -1.14 0.00 0.00 41.12 39.67 1ur9 n ASP 426 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ur9 s TYR 427 N -1.73 3.05 -0.25 2.11 5.04 -0.97 -5.09 117.35 119.51 1ur9 s TYR 427 Ca 0.38 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.75 1ur9 s TYR 427 Cb 0.24 -1.96 0.08 0.00 0.35 0.00 0.00 41.96 40.67 1ur9 s TYR 427 CO 0.19 0.01 0.07 0.34 -1.34 0.00 0.00 175.55 174.82 1ur9 s ASP 428 N 0.30 3.41 -0.29 4.32 2.15 -1.26 -4.90 116.67 120.40 1ur9 s ASP 428 Ca -0.03 -1.19 0.10 0.00 0.43 0.00 0.00 52.55 51.87 1ur9 s ASP 428 Cb -0.14 -0.65 0.74 0.00 -0.30 0.00 0.00 42.92 42.57 1ur9 s ASP 428 CO 0.03 -0.37 1.75 -0.90 -0.17 0.00 0.00 175.17 175.51 1ur9 n ASP 429 N 5.01 4.94 0.23 -0.34 5.68 -1.26 -4.59 116.55 126.22 1ur9 n ASP 429 Ca -0.06 -3.10 0.07 0.00 -0.50 0.00 0.00 54.79 51.20 1ur9 n ASP 429 Cb 0.44 -0.73 0.59 0.00 -1.14 0.00 0.00 41.12 40.29 1ur9 n ASP 429 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ur9 h SER 430 N 2.88 0.03 -0.62 -1.12 4.64 -2.03 -2.17 113.55 115.17 1ur9 h SER 430 Ca 0.20 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ur9 h SER 430 Cb 2.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 1ur9 h SER 430 CO 0.67 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 1ur9 n GLN 431 N -4.48 2.70 -2.00 4.77 1.13 -1.26 -4.95 117.38 113.29 1ur9 n GLN 431 Ca -0.02 -2.50 -0.42 0.00 -1.94 0.00 0.00 57.00 52.11 1ur9 n GLN 431 Cb 0.13 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 1ur9 n GLN 431 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1ur9 s LEU 432 N -1.06 4.33 -0.36 1.08 2.96 -0.82 -4.93 118.68 119.88 1ur9 s LEU 432 Ca 0.43 2.29 -0.26 0.00 -0.22 0.00 0.00 54.13 56.37 1ur9 s LEU 432 Cb 0.23 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.39 1ur9 s LEU 432 CO 0.30 -0.91 0.95 -0.62 -1.32 0.00 0.00 176.35 174.75 1ur9 s ASP 433 N 3.12 6.71 0.00 3.68 2.15 -1.26 -4.92 116.67 126.15 1ur9 s ASP 433 Ca 0.73 0.64 0.17 0.00 0.43 0.00 0.00 52.55 54.53 1ur9 s ASP 433 Cb -0.35 -2.47 1.04 0.00 -0.30 0.00 0.00 42.92 40.84 1ur9 s ASP 433 CO 0.30 -0.86 1.49 0.23 -0.17 0.00 0.00 175.17 176.16 1ur9 n MET 434 N 6.79 0.70 -0.12 4.34 2.81 -1.26 -4.99 117.12 125.38 1ur9 n MET 434 Ca 0.08 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.98 1ur9 n MET 434 Cb 0.48 -1.39 -0.00 0.00 -0.71 0.00 0.00 33.22 31.59 1ur9 n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ur9 n GLY 435 N 0.35 -1.97 0.53 3.03 0.00 -1.26 -4.59 105.19 101.27 1ur9 n GLY 435 Ca 0.13 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.86 1ur9 n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ur9 n THR 436 N -0.93 1.94 -0.83 2.61 -2.24 -1.26 -5.04 114.28 108.53 1ur9 n THR 436 Ca 0.00 -1.87 -0.32 0.00 -2.27 0.00 0.00 64.05 59.59 1ur9 n THR 436 Cb 0.06 -0.12 0.15 0.00 -2.10 0.00 0.00 70.33 68.31 1ur9 n THR 436 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ur9 n GLY 437 N -0.73 -0.41 3.68 3.38 0.00 -1.26 -4.90 105.19 104.96 1ur9 n GLY 437 Ca 0.17 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1ur9 n GLY 437 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ur9 s LEU 438 N -5.76 4.32 0.42 0.99 1.43 0.38 -4.70 118.68 115.75 1ur9 s LEU 438 Ca 0.68 2.16 -0.05 0.00 -1.03 0.00 0.00 54.13 55.89 1ur9 s LEU 438 Cb -0.25 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1ur9 s LEU 438 CO 0.56 -0.77 0.70 -0.13 0.23 0.00 0.00 176.35 176.95 1ur9 s ARG 439 N 2.68 3.58 -0.08 1.70 3.00 -1.26 -1.57 118.95 126.99 1ur9 s ARG 439 Ca 0.66 0.10 -0.28 0.00 0.00 0.00 0.00 55.73 56.20 1ur9 s ARG 439 Cb -0.32 -2.48 -0.02 0.00 0.00 0.00 0.00 34.95 32.13 1ur9 s ARG 439 CO 0.27 -0.05 0.93 -0.47 0.00 0.00 0.00 175.30 175.98 1ur9 s TYR 440 N -2.51 3.54 -2.48 -0.53 5.04 -1.26 -4.97 117.35 114.18 1ur9 s TYR 440 Ca 0.46 1.52 0.22 0.00 -2.44 0.00 0.00 57.07 56.83 1ur9 s TYR 440 Cb -0.10 -3.09 0.12 0.00 0.35 0.00 0.00 41.96 39.23 1ur9 s TYR 440 CO 0.39 -0.13 1.14 0.25 -1.34 0.00 0.00 175.55 175.86 1ur9 n THR 441 N 4.32 0.00 -1.88 4.34 -2.24 -1.26 -5.03 114.28 112.53 1ur9 n THR 441 Ca 0.06 -0.43 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 1ur9 n THR 441 Cb 0.50 1.39 0.03 0.00 -2.10 0.00 0.00 70.33 70.14 1ur9 n THR 441 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ur9 s GLY 442 N -2.00 2.87 -0.04 3.38 0.00 -1.26 -5.00 107.32 105.27 1ur9 s GLY 442 Ca 0.23 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.25 1ur9 s GLY 442 CO 0.36 1.79 -0.12 -1.34 0.00 0.00 0.00 173.10 173.79 1ur9 s VAL 443 N -1.34 1.02 0.40 1.40 -7.23 -0.53 -4.91 120.40 109.21 1ur9 s VAL 443 Ca 0.69 -0.47 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1ur9 s VAL 443 Cb -0.38 -0.91 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 1ur9 s VAL 443 CO 0.46 0.31 0.09 -0.83 -0.31 0.00 0.00 175.10 174.83 1ur9 s GLY 444 N 0.29 2.35 0.13 2.32 0.00 -1.26 -2.50 107.32 108.65 1ur9 s GLY 444 Ca -0.06 -2.16 0.14 0.00 0.00 0.00 0.00 44.72 42.64 1ur9 s GLY 444 CO 0.02 -1.98 1.43 -1.05 0.00 0.00 0.00 173.10 171.52 1ur9 n PRO 445 N -1.10 0.08 0.00 2.90 -0.02 -1.26 -1.97 135.00 133.63 1ur9 n PRO 445 Ca -0.03 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1ur9 n PRO 445 Cb 0.65 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 1ur9 n PRO 445 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ur9 n GLY 446 N -0.75 -0.07 2.58 -1.23 0.00 -1.26 -4.47 105.19 99.99 1ur9 n GLY 446 Ca 0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1ur9 n GLY 446 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ur9 n ASN 447 N -0.18 2.65 -4.74 1.61 6.94 -0.83 -3.83 115.26 116.87 1ur9 n ASN 447 Ca 0.08 -2.72 -0.41 0.00 -0.02 0.00 0.00 54.58 51.51 1ur9 n ASN 447 Cb 0.44 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.39 1ur9 n ASN 447 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ur9 s LEU 448 N -3.61 4.38 0.54 -4.53 1.43 -1.22 -4.68 118.68 111.00 1ur9 s LEU 448 Ca 0.35 2.72 -0.17 0.00 -1.03 0.00 0.00 54.13 56.01 1ur9 s LEU 448 Cb 0.38 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 1ur9 s LEU 448 CO -0.02 -0.75 1.02 -2.16 0.23 0.00 0.00 176.35 174.66 1ur9 s PRO 449 N -0.32 3.69 0.25 1.29 0.04 -1.26 -4.49 135.00 134.19 1ur9 s PRO 449 Ca 0.61 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1ur9 s PRO 449 Cb -0.43 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 1ur9 s PRO 449 CO 0.44 -0.50 1.40 0.42 0.04 0.00 0.00 177.00 178.80 1ur9 s ILE 450 N -2.51 2.78 0.13 0.56 -1.09 -1.26 -0.77 121.20 119.05 1ur9 s ILE 450 Ca 0.61 0.67 -0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1ur9 s ILE 450 Cb -0.13 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1ur9 s ILE 450 CO 0.32 0.11 0.03 -0.04 -1.23 0.00 0.00 174.94 174.14 1ur9 s MET 451 N -0.45 0.93 -0.06 2.79 -1.94 0.43 -4.78 119.30 116.22 1ur9 s MET 451 Ca 0.58 -1.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.14 1ur9 s MET 451 Cb -0.40 0.13 0.02 0.00 2.01 0.00 0.00 34.83 36.58 1ur9 s MET 451 CO 0.43 -0.21 -0.07 0.99 -0.01 0.00 0.00 175.02 176.14 1ur9 s THR 452 N -3.95 0.79 0.01 2.05 2.01 -1.26 -4.42 115.64 110.87 1ur9 s THR 452 Ca 0.22 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 1ur9 s THR 452 Cb 0.07 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1ur9 s THR 452 CO 0.01 0.29 0.33 0.00 -0.69 0.00 0.00 174.62 174.55 1ur9 s ALA 453 N 0.93 -0.80 0.38 7.40 0.00 -1.26 -4.99 121.76 123.41 1ur9 s ALA 453 Ca -0.10 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 1ur9 s ALA 453 Cb -0.15 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 23.05 1ur9 s ALA 453 CO 0.01 -0.34 1.49 -2.14 0.00 0.00 0.00 175.76 174.78 1ur9 s PRO 454 N -1.87 4.10 0.68 0.00 0.02 -1.26 -3.79 135.00 132.88 1ur9 s PRO 454 Ca -0.10 2.58 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 1ur9 s PRO 454 Cb -0.03 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 1ur9 s PRO 454 CO 0.01 -0.54 0.97 0.00 -0.33 0.00 0.00 177.00 177.11 1ur9 n ALA 455 N 0.50 -0.04 -1.77 -1.55 0.00 -1.26 -1.54 120.51 114.85 1ur9 n ALA 455 Ca 0.01 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1ur9 n ALA 455 Cb 0.39 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 1ur9 n ALA 455 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ur9 s TYR 456 N -1.68 2.73 -0.30 0.00 5.04 0.05 -4.69 117.35 118.49 1ur9 s TYR 456 Ca 0.75 1.33 0.01 0.00 -2.44 0.00 0.00 57.07 56.72 1ur9 s TYR 456 Cb -0.37 -3.79 0.09 0.00 0.35 0.00 0.00 41.96 38.24 1ur9 s TYR 456 CO 0.48 -2.41 0.06 0.08 -1.34 0.00 0.00 175.55 172.41 1ur9 s VAL 457 N -1.20 1.41 0.13 3.14 1.01 -1.26 -5.04 120.40 118.58 1ur9 s VAL 457 Ca 0.56 -1.64 -0.35 0.00 0.00 0.00 0.00 61.98 60.55 1ur9 s VAL 457 Cb -0.41 -1.99 -0.16 0.00 0.00 0.00 0.00 36.38 33.82 1ur9 s VAL 457 CO 0.54 -0.54 1.35 -2.65 0.00 0.00 0.00 175.10 173.80 1ur9 n PRO 458 N 4.64 1.39 -0.08 2.72 -0.02 -1.26 -1.90 135.00 140.49 1ur9 n PRO 458 Ca -0.02 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1ur9 n PRO 458 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1ur9 n PRO 458 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ur9 n GLY 459 N 2.56 0.70 3.91 -1.23 0.00 -1.26 -5.08 105.19 104.80 1ur9 n GLY 459 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1ur9 n GLY 459 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ur9 s THR 460 N -2.09 5.22 -0.32 2.61 2.01 -0.80 -5.09 115.64 117.18 1ur9 s THR 460 Ca 0.00 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 1ur9 s THR 460 Cb 0.00 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.92 1ur9 s THR 460 CO 0.00 -0.01 0.06 -0.89 -0.69 0.00 0.00 174.62 173.10 1ur9 s THR 461 N -1.65 3.46 0.00 -0.82 2.01 -1.26 -4.66 115.64 112.72 1ur9 s THR 461 Ca 0.34 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1ur9 s THR 461 Cb -0.12 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1ur9 s THR 461 CO 0.27 -0.15 0.00 -1.22 -0.69 0.00 0.00 174.62 172.83 1ur9 n TYR 462 N 4.73 0.00 0.00 4.92 4.01 -1.14 -5.01 117.16 124.68 1ur9 n TYR 462 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1ur9 n TYR 462 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1ur9 n TYR 462 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ur9 n ALA 463 N -3.00 0.00 -3.38 -0.72 0.00 -1.23 -4.66 120.51 107.51 1ur9 n ALA 463 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ur9 n ALA 463 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ur9 n ALA 463 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ur9 n GLN 464 N 1.78 -1.65 -0.70 0.00 -0.06 -1.26 -3.41 117.38 112.07 1ur9 n GLN 464 Ca 0.00 1.29 0.00 0.00 -2.00 0.00 0.00 57.00 56.29 1ur9 n GLN 464 Cb 0.00 -3.84 0.00 0.00 -4.06 0.00 0.00 30.24 22.34 1ur9 n GLN 464 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ur9 n GLY 465 N -1.26 0.70 3.67 1.69 0.00 -1.02 -4.99 105.19 103.97 1ur9 n GLY 465 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1ur9 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ur9 s ALA 466 N -2.36 3.63 -0.18 4.61 0.00 -1.22 -4.75 121.76 121.48 1ur9 s ALA 466 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1ur9 s ALA 466 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1ur9 s ALA 466 CO 0.00 -1.27 0.04 -0.51 0.00 0.00 0.00 175.76 174.02 1ur9 s LEU 467 N 3.59 3.62 0.06 0.00 1.43 -1.26 -1.49 118.68 124.64 1ur9 s LEU 467 Ca 0.70 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1ur9 s LEU 467 Cb -0.33 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1ur9 s LEU 467 CO 0.28 0.15 0.03 0.68 0.23 0.00 0.00 176.35 177.72 1ur9 s VAL 468 N 0.53 0.19 -0.06 -1.59 -7.23 -0.51 -4.41 120.40 107.32 1ur9 s VAL 468 Ca 0.02 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1ur9 s VAL 468 Cb -0.13 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1ur9 s VAL 468 CO 0.01 -0.88 0.04 -0.94 -0.31 0.00 0.00 175.10 173.02 1ur9 s SER 469 N -2.83 5.46 -0.29 4.85 1.04 -0.59 0.08 113.70 121.42 1ur9 s SER 469 Ca 0.05 0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 1ur9 s SER 469 Cb 0.06 -1.56 0.12 0.00 0.10 0.00 0.00 66.02 64.75 1ur9 s SER 469 CO -0.10 0.34 0.88 -0.47 0.98 0.00 0.00 173.24 174.88 1ur9 s TYR 470 N -1.01 -0.73 -1.61 5.02 5.04 0.55 -0.77 117.35 123.85 1ur9 s TYR 470 Ca 0.17 1.47 -0.12 0.00 -2.44 0.00 0.00 57.07 56.16 1ur9 s TYR 470 Cb -0.12 0.44 0.10 0.00 0.35 0.00 0.00 41.96 42.73 1ur9 s TYR 470 CO 0.06 -0.36 0.61 1.04 -1.34 0.00 0.00 175.55 175.56 1ur9 n GLN 471 N 3.83 -2.98 -0.15 4.97 6.02 -1.26 -1.89 117.38 125.91 1ur9 n GLN 471 Ca -0.19 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1ur9 n GLN 471 Cb 0.58 -4.80 0.00 0.00 1.02 0.00 0.00 30.24 27.04 1ur9 n GLN 471 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ur9 n GLY 472 N -1.66 0.97 3.22 1.08 0.00 -1.26 -5.05 105.19 102.49 1ur9 n GLY 472 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1ur9 n GLY 472 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ur9 s TYR 473 N -2.54 1.13 -0.19 1.61 1.51 -0.79 -1.61 117.35 116.47 1ur9 s TYR 473 Ca 0.00 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.12 1ur9 s TYR 473 Cb 0.00 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1ur9 s TYR 473 CO 0.00 -0.05 0.08 0.08 -1.11 0.00 0.00 175.55 174.56 1ur9 s VAL 474 N -3.48 4.96 0.19 0.71 1.01 0.41 -0.33 120.40 123.87 1ur9 s VAL 474 Ca 0.16 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.28 1ur9 s VAL 474 Cb 0.04 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1ur9 s VAL 474 CO -0.01 0.45 -0.24 0.26 0.00 0.00 0.00 175.10 175.57 1ur9 s TRP 475 N 0.38 2.28 -0.01 5.22 0.52 0.11 -1.11 118.94 126.33 1ur9 s TRP 475 Ca 0.04 -0.36 0.05 0.00 0.02 0.00 0.00 56.10 55.85 1ur9 s TRP 475 Cb -0.12 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 1ur9 s TRP 475 CO -0.00 0.50 -0.16 -1.14 0.02 0.00 0.00 176.95 176.17 1ur9 s GLN 476 N -2.70 1.26 0.30 4.98 0.74 0.41 -1.42 119.66 123.23 1ur9 s GLN 476 Ca 0.21 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.75 1ur9 s GLN 476 Cb -0.08 -1.22 -0.09 0.00 1.10 0.00 0.00 33.01 32.71 1ur9 s GLN 476 CO 0.10 0.33 1.10 0.95 -0.55 0.00 0.00 175.29 177.22 1ur9 s THR 477 N -0.40 3.50 -0.22 -0.34 -4.23 -0.55 -0.15 115.64 113.25 1ur9 s THR 477 Ca 0.06 1.46 0.10 0.00 -1.18 0.00 0.00 61.69 62.12 1ur9 s THR 477 Cb -0.06 -3.90 -0.20 0.00 1.34 0.00 0.00 72.50 69.67 1ur9 s THR 477 CO -0.00 0.30 -0.07 0.29 -0.54 0.00 0.00 174.62 174.60 1ur9 n LYS 478 N 0.99 0.75 0.00 3.99 5.02 -0.36 -2.44 118.16 126.11 1ur9 n LYS 478 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ur9 n LYS 478 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1ur9 n LYS 478 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1ur9 n TRP 479 N -2.95 0.00 0.00 2.13 2.14 -1.26 -4.63 117.44 112.86 1ur9 n TRP 479 Ca -0.37 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.20 1ur9 n TRP 479 Cb 1.05 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.55 1ur9 n TRP 479 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1ur9 n GLY 480 N 0.00 0.23 2.01 -1.67 0.00 -1.26 -4.27 105.19 100.24 1ur9 n GLY 480 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ur9 n GLY 480 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ur9 n TYR 481 N 1.30 -1.86 0.02 1.61 4.01 -1.26 -4.59 117.16 116.37 1ur9 n TYR 481 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1ur9 n TYR 481 Cb 0.00 0.77 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 1ur9 n TYR 481 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1ur9 n ILE 482 N -3.12 0.00 0.00 -0.72 -0.00 -1.26 -2.90 119.36 111.36 1ur9 n ILE 482 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1ur9 n ILE 482 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 1ur9 n ILE 482 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1ur9 n THR 483 N -2.57 0.00 -3.70 7.28 -2.24 -1.26 -4.54 114.28 107.25 1ur9 n THR 483 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1ur9 n THR 483 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1ur9 n THR 483 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ur9 s SER 484 N 0.00 -0.56 0.18 3.42 1.04 -1.26 -5.10 113.70 111.42 1ur9 s SER 484 Ca 0.00 1.00 -0.28 0.00 0.48 0.00 0.00 55.95 57.14 1ur9 s SER 484 Cb 0.00 0.94 -0.08 0.00 0.10 0.00 0.00 66.02 66.98 1ur9 s SER 484 CO 0.00 -0.19 0.88 0.00 0.98 0.00 0.00 173.24 174.91 1ur9 s ALA 485 N 0.89 3.36 0.13 5.32 0.00 -1.26 -4.93 121.76 125.26 1ur9 s ALA 485 Ca -0.05 0.50 -0.35 0.00 0.00 0.00 0.00 51.96 52.06 1ur9 s ALA 485 Cb -0.06 -3.12 -0.16 0.00 0.00 0.00 0.00 23.12 19.78 1ur9 s ALA 485 CO -0.07 0.19 1.26 -2.30 0.00 0.00 0.00 175.76 174.83 1ur9 n PRO 486 N 1.84 1.15 0.00 0.00 -0.02 -1.26 0.21 135.00 136.91 1ur9 n PRO 486 Ca -0.03 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1ur9 n PRO 486 Cb 0.48 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1ur9 n PRO 486 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ur9 n GLY 487 N 2.29 1.37 0.03 -1.23 0.00 -1.26 -4.90 105.19 101.49 1ur9 n GLY 487 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ur9 n GLY 487 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ur9 n SER 488 N 0.00 0.33 0.00 1.61 3.41 0.13 -4.94 113.62 114.16 1ur9 n SER 488 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1ur9 n SER 488 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1ur9 n SER 488 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ur9 n ASP 489 N -1.74 0.29 -0.67 4.04 5.68 -1.26 -4.94 116.55 117.95 1ur9 n ASP 489 Ca 0.06 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.43 1ur9 n ASP 489 Cb 0.37 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.43 1ur9 n ASP 489 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ur9 n SER 490 N 0.00 2.42 0.16 -1.12 7.64 -1.26 -4.59 113.62 116.87 1ur9 n SER 490 Ca 0.00 -1.70 0.04 0.00 1.01 0.00 0.00 58.87 58.23 1ur9 n SER 490 Cb 0.00 -0.02 0.18 0.00 -1.01 0.00 0.00 64.21 63.36 1ur9 n SER 490 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ur9 h ALA 491 N 3.18 0.81 -3.18 -0.43 0.00 -1.96 -3.45 119.26 114.23 1ur9 h ALA 491 Ca 0.00 -0.40 -0.64 0.00 0.00 0.00 0.00 54.91 53.87 1ur9 h ALA 491 Cb 0.69 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1ur9 h ALA 491 CO 0.00 0.55 -0.57 -1.58 0.00 0.00 0.00 179.25 177.65 1ur9 s TRP 492 N -3.25 3.28 -0.21 0.00 0.52 -1.26 -1.23 118.94 116.79 1ur9 s TRP 492 Ca 0.02 0.17 -0.08 0.00 0.02 0.00 0.00 56.10 56.24 1ur9 s TRP 492 Cb 0.09 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1ur9 s TRP 492 CO 0.71 0.34 0.07 -1.17 0.02 0.00 0.00 176.95 176.92 1ur9 s LEU 493 N -0.23 3.71 -0.24 2.99 2.96 0.79 -4.72 118.68 123.94 1ur9 s LEU 493 Ca 0.08 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 1ur9 s LEU 493 Cb -0.12 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1ur9 s LEU 493 CO 0.02 0.10 1.31 -0.75 -1.32 0.00 0.00 176.35 175.71 1ur9 s LYS 494 N 0.81 4.04 0.00 1.98 2.20 -1.26 -0.45 119.74 127.06 1ur9 s LYS 494 Ca 0.04 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1ur9 s LYS 494 Cb -0.13 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1ur9 s LYS 494 CO 0.02 -0.96 0.00 1.33 -0.36 0.00 0.00 175.35 175.38 1ur9 n VAL 495 N 5.87 0.00 -3.70 4.02 0.24 -0.27 -4.94 118.33 119.55 1ur9 n VAL 495 Ca 0.15 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 1ur9 n VAL 495 Cb 0.46 0.92 -0.02 0.00 -1.47 0.00 0.00 33.84 33.72 1ur9 n VAL 495 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ur9 s GLY 496 N -1.05 -0.28 0.02 7.63 0.00 -1.02 -4.31 107.32 108.31 1ur9 s GLY 496 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 44.72 44.70 1ur9 s GLY 496 CO 0.00 -0.01 0.10 0.50 0.00 0.00 0.00 173.10 173.70 1ur9 s ARG 497 N -3.86 3.11 0.33 2.90 0.52 0.05 -0.45 118.95 121.55 1ur9 s ARG 497 Ca 0.07 -0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 54.69 1ur9 s ARG 497 Cb -0.04 -2.88 -0.07 0.00 0.52 0.00 0.00 34.95 32.48 1ur9 s ARG 497 CO -0.00 0.63 0.66 0.08 0.02 0.00 0.00 175.30 176.69 1ur9 s VAL 498 N -1.27 4.87 -2.52 3.52 1.01 -0.63 -0.43 120.40 124.95 1ur9 s VAL 498 Ca 0.26 0.46 0.28 0.00 0.00 0.00 0.00 61.98 62.98 1ur9 s VAL 498 Cb -0.12 -3.69 0.54 0.00 0.00 0.00 0.00 36.38 33.10 1ur9 s VAL 498 CO 0.17 -0.33 1.73 -2.11 0.00 0.00 0.00 175.10 174.56