#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur3 s VAL 2 N 0.00 4.91 0.55 4.08 1.01 -1.23 -5.00 120.40 124.72 1ur3 s VAL 2 Ca 0.00 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.57 1ur3 s VAL 2 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1ur3 s VAL 2 CO 0.00 0.32 1.28 -1.10 0.00 0.00 0.00 175.10 175.60 1ur3 s GLN 3 N -1.76 3.14 0.05 2.72 -1.52 -1.26 -4.78 119.66 116.24 1ur3 s GLN 3 Ca 0.34 2.04 -0.06 0.00 -1.95 0.00 0.00 55.36 55.73 1ur3 s GLN 3 Cb -0.15 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.43 1ur3 s GLN 3 CO 0.18 -1.13 0.31 1.03 -0.25 0.00 0.00 175.29 175.43 1ur3 s ARG 4 N -3.02 3.61 -0.15 2.91 1.81 -1.26 0.48 118.95 123.33 1ur3 s ARG 4 Ca 0.73 -0.06 -0.10 0.00 -1.72 0.00 0.00 55.73 54.58 1ur3 s ARG 4 Cb -0.36 -3.02 0.05 0.00 -0.45 0.00 0.00 34.95 31.17 1ur3 s ARG 4 CO 0.41 0.60 0.37 -1.50 -0.68 0.00 0.00 175.30 174.50 1ur3 s ILE 5 N -1.39 -0.02 -0.49 1.52 2.07 0.10 -4.80 121.20 118.20 1ur3 s ILE 5 Ca 0.31 0.06 -0.28 0.00 -1.41 0.00 0.00 60.65 59.34 1ur3 s ILE 5 Cb -0.13 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 41.95 1ur3 s ILE 5 CO 0.19 0.03 1.07 -0.89 -1.91 0.00 0.00 174.94 173.42 1ur3 s THR 6 N 0.88 4.28 0.20 4.00 2.01 -1.26 -0.23 115.64 125.52 1ur3 s THR 6 Ca -0.06 1.00 0.34 0.00 0.31 0.00 0.00 61.69 63.28 1ur3 s THR 6 Cb -0.06 -4.56 0.34 0.00 0.01 0.00 0.00 72.50 68.23 1ur3 s THR 6 CO -0.07 -1.00 2.03 0.16 -0.69 0.00 0.00 174.62 175.05 1ur3 h ILE 7 N 6.17 0.00 -1.94 1.82 3.07 -1.71 -3.45 117.51 121.47 1ur3 h ILE 7 Ca -0.24 -0.08 0.19 0.00 1.55 0.00 0.00 64.86 66.29 1ur3 h ILE 7 Cb 1.07 0.88 -0.14 0.00 -0.27 0.00 0.00 36.82 38.35 1ur3 h ILE 7 CO 1.10 0.00 0.63 0.00 -1.05 0.00 0.00 178.15 178.83 1ur3 s ALA 8 N -3.81 -1.92 0.00 0.16 0.00 -1.26 0.33 121.76 115.26 1ur3 s ALA 8 Ca -0.03 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1ur3 s ALA 8 Cb 0.10 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1ur3 s ALA 8 CO 0.35 -0.78 0.45 -2.30 0.00 0.00 0.00 175.76 173.48 1ur3 n PRO 9 N -0.28 0.00 -0.61 0.00 -0.02 -1.26 -0.09 135.00 132.74 1ur3 n PRO 9 Ca -0.06 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1ur3 n PRO 9 Cb 0.61 -0.72 0.33 0.00 -0.02 0.00 0.00 33.50 33.70 1ur3 n PRO 9 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ur3 n GLN 10 N -1.97 3.69 -1.09 -0.52 1.13 -1.26 -4.98 117.38 112.38 1ur3 n GLN 10 Ca 0.00 -2.62 -0.20 0.00 -1.94 0.00 0.00 57.00 52.24 1ur3 n GLN 10 Cb 0.00 -1.91 0.15 0.00 0.11 0.00 0.00 30.24 28.59 1ur3 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ur3 n GLY 11 N 0.95 -1.88 3.94 1.08 0.00 0.88 -5.01 105.19 105.15 1ur3 n GLY 11 Ca 0.23 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 1ur3 n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ur3 s PRO 12 N -4.90 2.61 -0.13 1.61 0.04 -1.26 -4.79 135.00 128.18 1ur3 s PRO 12 Ca 0.51 -0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.02 1ur3 s PRO 12 Cb -0.03 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1ur3 s PRO 12 CO 0.37 -0.81 0.42 -2.00 0.04 0.00 0.00 177.00 175.02 1ur3 s GLU 13 N -4.95 4.31 0.42 4.56 2.12 -1.26 -2.00 118.70 121.90 1ur3 s GLU 13 Ca 0.56 0.34 0.04 0.00 0.36 0.00 0.00 54.97 56.27 1ur3 s GLU 13 Cb -0.10 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1ur3 s GLU 13 CO 0.42 0.19 0.03 -0.06 -0.54 0.00 0.00 175.26 175.31 1ur3 s PHE 14 N 0.54 2.13 -0.14 5.30 0.40 0.69 -4.92 117.98 121.97 1ur3 s PHE 14 Ca 0.23 -0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 1ur3 s PHE 14 Cb -0.14 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 1ur3 s PHE 14 CO 0.08 0.20 0.22 -1.54 0.70 0.00 0.00 175.22 174.88 1ur3 s SER 15 N -3.69 6.40 0.35 1.36 1.04 -1.26 0.03 113.70 117.92 1ur3 s SER 15 Ca 0.26 0.47 0.20 0.00 0.48 0.00 0.00 55.95 57.36 1ur3 s SER 15 Cb 0.06 -2.13 1.26 0.00 0.10 0.00 0.00 66.02 65.31 1ur3 s SER 15 CO 0.13 0.23 1.45 -1.14 0.98 0.00 0.00 173.24 174.89 1ur3 n ARG 16 N 2.96 -0.05 -4.51 4.02 3.00 0.18 -4.05 116.66 118.20 1ur3 n ARG 16 Ca -0.15 1.26 -0.34 0.00 -0.00 0.00 0.00 57.85 58.62 1ur3 n ARG 16 Cb 0.53 -2.28 -0.12 0.00 0.00 0.00 0.00 32.46 30.59 1ur3 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ur3 s PHE 17 N -5.37 2.98 0.00 -0.14 0.40 -1.26 -3.21 117.98 111.38 1ur3 s PHE 17 Ca -0.08 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1ur3 s PHE 17 Cb 0.31 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1ur3 s PHE 17 CO 0.72 0.08 0.00 1.33 0.70 0.00 0.00 175.22 178.05 1ur3 n VAL 18 N 3.09 0.00 -3.53 -0.44 0.24 -0.91 -4.46 118.33 112.30 1ur3 n VAL 18 Ca -0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.12 1ur3 n VAL 18 Cb 0.53 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.85 1ur3 n VAL 18 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ur3 s GLY 20 N 0.00 -0.22 -0.68 7.63 0.00 0.45 -0.73 107.32 113.77 1ur3 s GLY 20 Ca 0.00 2.95 -0.02 0.00 0.00 0.00 0.00 44.72 47.65 1ur3 s GLY 20 CO 0.00 2.93 2.14 -1.72 0.00 0.00 0.00 173.10 176.46 1ur3 n TYR 21 N 4.54 2.72 -0.15 1.90 4.02 -0.47 -4.51 117.16 125.21 1ur3 n TYR 21 Ca -0.14 -2.46 -0.11 0.00 -0.01 0.00 0.00 57.90 55.18 1ur3 n TYR 21 Cb 0.54 -1.28 -0.01 0.00 -0.02 0.00 0.00 39.34 38.57 1ur3 n TYR 21 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1ur3 h TRP 22 N 2.53 1.01 -0.68 -0.72 2.91 -1.93 -3.26 115.95 115.82 1ur3 h TRP 22 Ca 0.53 -0.24 -0.44 0.00 1.13 0.00 0.00 58.89 59.87 1ur3 h TRP 22 Cb 0.46 -0.24 -0.27 0.00 -0.51 0.00 0.00 29.16 28.61 1ur3 h TRP 22 CO 1.27 1.01 -0.02 0.54 -1.03 0.00 0.00 178.44 180.21 1ur3 n ARG 23 N -4.22 2.62 0.00 2.65 1.74 -1.26 -4.41 116.66 113.78 1ur3 n ARG 23 Ca -0.01 -3.51 0.00 0.00 -0.77 0.00 0.00 57.85 53.57 1ur3 n ARG 23 Cb 0.42 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1ur3 n ARG 23 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ur3 n LEU 24 N -0.95 0.00 0.00 0.55 7.94 -1.23 -2.95 117.00 120.36 1ur3 n LEU 24 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1ur3 n LEU 24 Cb 0.97 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.92 1ur3 n LEU 24 CO 0.43 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 177.18 1ur3 n ASP 26 N 0.81 0.00 0.00 1.96 10.43 -1.26 -4.08 116.55 124.41 1ur3 n ASP 26 Ca 0.00 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.46 1ur3 n ASP 26 Cb 0.00 0.00 0.55 0.00 1.84 0.00 0.00 41.12 43.51 1ur3 n ASP 26 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1ur3 n TRP 27 N 0.00 0.00 -2.17 1.24 8.01 -1.15 -5.18 117.44 118.19 1ur3 n TRP 27 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ur3 n TRP 27 Cb 0.00 -0.17 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 1ur3 n TRP 27 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1ur3 n ASN 28 N -1.17 -3.48 -4.15 -0.99 3.02 -1.26 -5.13 115.26 102.10 1ur3 n ASN 28 Ca 0.12 0.82 -0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1ur3 n ASN 28 Cb 0.12 -1.28 -0.10 0.00 -0.61 0.00 0.00 39.78 37.92 1ur3 n ASN 28 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ur3 s SER 30 N 0.00 0.47 0.21 6.41 1.04 -1.26 -5.18 113.70 115.39 1ur3 s SER 30 Ca 0.00 -1.16 -0.09 0.00 0.48 0.00 0.00 55.95 55.17 1ur3 s SER 30 Cb 0.00 0.25 0.28 0.00 0.10 0.00 0.00 66.02 66.65 1ur3 s SER 30 CO 0.00 -0.68 1.76 0.00 0.98 0.00 0.00 173.24 175.30 1ur3 h ALA 31 N 2.89 0.83 0.00 5.32 0.00 -1.96 -0.75 119.26 125.59 1ur3 h ALA 31 Ca -0.35 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ur3 h ALA 31 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ur3 h ALA 31 CO 0.61 -0.13 0.00 0.07 0.00 0.00 0.00 179.25 179.80 1ur3 h ARG 32 N 0.48 0.00 0.00 0.00 0.11 -1.95 -2.14 114.38 110.88 1ur3 h ARG 32 Ca 0.31 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.26 1ur3 h ARG 32 Cb 0.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 1ur3 h ARG 32 CO -0.27 0.00 -0.70 1.96 0.10 0.00 0.00 179.97 181.05 1ur3 h GLN 33 N 0.00 0.00 0.21 0.08 4.20 -1.67 -3.20 115.11 114.73 1ur3 h GLN 33 Ca 0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1ur3 h GLN 33 Cb 0.66 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.46 1ur3 h GLN 33 CO 0.00 0.53 -1.63 1.25 -0.67 0.00 0.00 178.83 178.31 1ur3 h LEU 34 N 0.00 0.69 -1.81 1.46 5.85 -0.88 -1.81 115.31 118.82 1ur3 h LEU 34 Ca -0.03 -0.89 0.01 0.00 0.84 0.00 0.00 57.88 57.81 1ur3 h LEU 34 Cb 1.46 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1ur3 h LEU 34 CO 0.07 1.73 0.15 0.58 -0.34 0.00 0.00 178.44 180.63 1ur3 h VAL 35 N 0.12 1.04 0.00 1.05 2.07 -1.49 0.25 116.25 119.29 1ur3 h VAL 35 Ca -0.30 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 1ur3 h VAL 35 Cb 2.12 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1ur3 h VAL 35 CO 0.22 0.05 -1.15 0.77 0.02 0.00 0.00 177.57 177.47 1ur3 h SER 36 N 0.27 0.00 -0.24 0.57 4.64 -1.61 -2.67 113.55 114.50 1ur3 h SER 36 Ca 0.09 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1ur3 h SER 36 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ur3 h SER 36 CO -0.02 0.61 -0.40 0.15 -0.87 0.00 0.00 176.83 176.30 1ur3 h PHE 37 N 0.00 0.87 0.89 4.77 3.57 -0.36 -2.74 116.94 123.94 1ur3 h PHE 37 Ca -0.12 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 1ur3 h PHE 37 Cb 1.57 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 40.15 1ur3 h PHE 37 CO 0.00 1.07 -0.44 0.82 -2.23 0.00 0.00 178.31 177.53 1ur3 h ILE 38 N 0.42 0.10 -0.68 1.41 2.04 -0.63 -2.06 117.51 118.11 1ur3 h ILE 38 Ca 0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.01 1ur3 h ILE 38 Cb 0.99 0.10 -0.13 0.00 -0.74 0.00 0.00 36.82 37.05 1ur3 h ILE 38 CO 0.09 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 177.96 1ur3 h GLU 39 N -1.21 -0.02 -0.67 2.37 4.81 -1.53 0.57 114.58 118.89 1ur3 h GLU 39 Ca -0.12 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1ur3 h GLU 39 Cb 0.93 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1ur3 h GLU 39 CO 0.19 -0.02 0.44 0.93 -0.73 0.00 0.00 179.01 179.83 1ur3 h GLU 40 N -0.02 0.79 0.00 1.92 5.08 -1.35 0.42 114.58 121.41 1ur3 h GLU 40 Ca 0.32 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1ur3 h GLU 40 Cb 0.52 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1ur3 h GLU 40 CO -0.72 0.52 -0.70 1.12 -1.00 0.00 0.00 179.01 178.24 1ur3 h HIS 41 N 0.81 0.00 -0.43 4.33 2.07 -0.02 -2.47 115.15 119.45 1ur3 h HIS 41 Ca 0.27 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.65 1ur3 h HIS 41 Cb 0.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 1ur3 h HIS 41 CO -0.00 0.32 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.83 1ur3 h LEU 42 N 0.00 0.96 -0.96 6.12 3.38 0.13 -1.45 115.31 123.48 1ur3 h LEU 42 Ca -0.04 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1ur3 h LEU 42 Cb 1.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ur3 h LEU 42 CO 0.03 1.16 -0.50 0.44 0.09 0.00 0.00 178.44 179.67 1ur3 h ASP 43 N 0.78 0.00 0.55 -0.43 3.45 -0.23 -2.58 116.42 117.95 1ur3 h ASP 43 Ca 0.09 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 1ur3 h ASP 43 Cb 0.85 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 1ur3 h ASP 43 CO 0.07 0.50 -0.32 -0.07 -1.57 0.00 0.00 179.24 177.85 1ur3 h LEU 44 N 0.00 0.00 0.00 1.55 3.38 -1.20 -3.47 115.31 115.57 1ur3 h LEU 44 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ur3 h LEU 44 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ur3 h LEU 44 CO 0.07 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1ur3 n GLY 45 N -0.24 1.48 3.56 0.83 0.00 -0.97 -3.50 105.19 106.34 1ur3 n GLY 45 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1ur3 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ur3 s VAL 46 N -1.15 3.41 -0.73 1.61 1.01 -0.57 -4.62 120.40 119.36 1ur3 s VAL 46 Ca 0.00 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1ur3 s VAL 46 Cb 0.00 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ur3 s VAL 46 CO 0.00 -0.88 0.56 0.35 0.00 0.00 0.00 175.10 175.13 1ur3 n THR 47 N 7.20 0.00 -3.79 3.92 -2.24 -1.26 -3.47 114.28 114.63 1ur3 n THR 47 Ca 0.20 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1ur3 n THR 47 Cb 0.51 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 1ur3 n THR 47 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ur3 s THR 48 N -1.16 5.00 -0.10 4.28 2.01 -1.26 -0.91 115.64 123.51 1ur3 s THR 48 Ca 0.07 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1ur3 s THR 48 Cb 0.06 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1ur3 s THR 48 CO 0.20 0.38 -0.12 0.68 -0.69 0.00 0.00 174.62 175.07 1ur3 s VAL 49 N 0.94 3.24 -0.28 3.82 -7.23 -0.11 -4.42 120.40 116.36 1ur3 s VAL 49 Ca 0.06 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.52 1ur3 s VAL 49 Cb -0.13 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1ur3 s VAL 49 CO 0.03 0.55 0.12 -0.62 -0.31 0.00 0.00 175.10 174.87 1ur3 s ASP 50 N -0.17 5.42 0.33 4.85 2.15 -1.26 -1.03 116.67 126.95 1ur3 s ASP 50 Ca 0.00 -0.31 0.06 0.00 0.43 0.00 0.00 52.55 52.74 1ur3 s ASP 50 Cb -0.13 -1.98 -0.07 0.00 -0.30 0.00 0.00 42.92 40.44 1ur3 s ASP 50 CO 0.03 -0.10 -0.02 -1.00 -0.17 0.00 0.00 175.17 173.91 1ur3 s HIS 51 N 1.63 2.16 0.16 -5.34 3.76 0.23 -1.36 115.29 116.53 1ur3 s HIS 51 Ca 0.06 -0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 54.06 1ur3 s HIS 51 Cb -0.16 -1.36 0.04 0.00 1.11 0.00 0.00 32.58 32.21 1ur3 s HIS 51 CO 0.06 0.30 0.49 0.00 -0.85 0.00 0.00 174.74 174.73 1ur3 s ALA 52 N -2.95 -1.04 0.00 -1.40 0.00 -1.26 -3.10 121.76 112.01 1ur3 s ALA 52 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1ur3 s ALA 52 Cb 0.06 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1ur3 s ALA 52 CO 0.15 -0.73 0.32 -3.47 0.00 0.00 0.00 175.76 172.02 1ur3 n ASP 53 N -0.30 0.00 0.00 0.00 4.64 -0.64 -3.43 116.55 116.82 1ur3 n ASP 53 Ca -0.14 0.32 0.04 0.00 -1.38 0.00 0.00 54.79 53.63 1ur3 n ASP 53 Cb 0.63 0.00 0.19 0.00 -1.04 0.00 0.00 41.12 40.90 1ur3 n ASP 53 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1ur3 n ILE 54 N -0.52 1.15 -1.62 5.18 -5.35 -1.26 -4.30 119.36 112.64 1ur3 n ILE 54 Ca 0.00 0.29 -0.47 0.00 -0.27 0.00 0.00 62.75 62.30 1ur3 n ILE 54 Cb 0.00 -1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 36.70 1ur3 n ILE 54 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1ur3 n TYR 55 N -1.40 2.14 -2.20 4.28 4.01 -1.22 -2.13 117.16 120.65 1ur3 n TYR 55 Ca 0.03 -0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 1ur3 n TYR 55 Cb 0.08 -2.67 0.00 0.00 -0.31 0.00 0.00 39.34 36.44 1ur3 n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ur3 n GLY 56 N 5.10 0.36 3.54 2.72 0.00 -1.26 -3.05 105.19 112.60 1ur3 n GLY 56 Ca 0.27 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1ur3 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ur3 n GLY 57 N -0.94 -0.51 2.94 -0.02 0.00 -0.90 -2.54 105.19 103.22 1ur3 n GLY 57 Ca -0.03 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1ur3 n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ur3 n TYR 58 N -4.93 -1.94 0.00 1.61 4.01 -1.22 -4.93 117.16 109.77 1ur3 n TYR 58 Ca -0.00 0.64 0.00 0.00 -0.16 0.00 0.00 57.90 58.38 1ur3 n TYR 58 Cb 0.56 -3.90 0.00 0.00 -0.31 0.00 0.00 39.34 35.69 1ur3 n TYR 58 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ur3 n GLN 59 N -3.66 2.87 -0.26 -0.72 6.02 -1.05 -4.81 117.38 115.78 1ur3 n GLN 59 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.98 1ur3 n GLN 59 Cb 0.56 -0.96 0.14 0.00 1.02 0.00 0.00 30.24 31.01 1ur3 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ur3 h GLU 61 N 0.67 0.37 -0.22 0.00 5.08 -1.86 -0.60 114.58 118.02 1ur3 h GLU 61 Ca 0.36 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 1ur3 h GLU 61 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1ur3 h GLU 61 CO -0.25 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1ur3 h ALA 62 N 1.12 0.20 0.16 3.43 0.00 -1.55 0.05 119.26 122.67 1ur3 h ALA 62 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ur3 h ALA 62 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ur3 h ALA 62 CO -0.03 -0.42 -0.22 0.00 0.00 0.00 0.00 179.25 178.57 1ur3 h ALA 63 N 1.19 -0.41 -0.72 0.00 0.00 -0.92 -1.27 119.26 117.12 1ur3 h ALA 63 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1ur3 h ALA 63 Cb 0.13 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1ur3 h ALA 63 CO -0.17 -0.77 0.32 0.35 0.00 0.00 0.00 179.25 178.98 1ur3 h PHE 64 N -0.44 0.57 -0.14 0.00 3.57 -0.86 -2.29 116.94 117.34 1ur3 h PHE 64 Ca 0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1ur3 h PHE 64 Cb 0.44 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1ur3 h PHE 64 CO -0.19 0.15 -0.11 0.78 -2.23 0.00 0.00 178.31 176.71 1ur3 h GLY 65 N 0.52 -0.00 -0.27 2.40 0.00 -0.23 -0.64 103.07 104.84 1ur3 h GLY 65 Ca 0.38 0.13 0.19 0.00 0.00 0.00 0.00 47.33 48.03 1ur3 h GLY 65 CO -0.33 -0.12 0.15 0.83 0.00 0.00 0.00 176.54 177.07 1ur3 h GLU 66 N -0.12 0.20 -0.43 4.80 4.39 -0.67 0.22 114.58 122.97 1ur3 h GLU 66 Ca 0.09 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 1ur3 h GLU 66 Cb 0.25 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1ur3 h GLU 66 CO -0.21 0.13 -0.15 0.00 -1.16 0.00 0.00 179.01 177.62 1ur3 h ALA 67 N 1.69 0.92 0.00 3.43 0.00 -1.20 -1.80 119.26 122.30 1ur3 h ALA 67 Ca 0.46 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ur3 h ALA 67 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ur3 h ALA 67 CO -0.60 0.62 -0.18 1.25 0.00 0.00 0.00 179.25 180.35 1ur3 h LEU 68 N 0.73 0.00 -0.94 0.00 6.46 0.78 -2.03 115.31 120.31 1ur3 h LEU 68 Ca 0.11 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1ur3 h LEU 68 Cb 0.65 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1ur3 h LEU 68 CO 0.05 0.18 -0.38 0.11 -0.62 0.00 0.00 178.44 177.77 1ur3 h LYS 69 N 0.00 0.29 -0.06 1.25 1.57 0.17 -2.63 116.57 117.15 1ur3 h LYS 69 Ca -0.00 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1ur3 h LYS 69 Cb 0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1ur3 h LYS 69 CO 0.02 0.63 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.98 1ur3 h LEU 70 N 0.24 0.17 -5.98 2.94 3.38 -1.22 -3.34 115.31 111.50 1ur3 h LEU 70 Ca 0.03 -0.08 -0.56 0.00 0.09 0.00 0.00 57.88 57.36 1ur3 h LEU 70 Cb 0.79 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 41.09 1ur3 h LEU 70 CO 0.06 0.63 -0.94 0.00 0.09 0.00 0.00 178.44 178.29 1ur3 n ALA 71 N -2.46 3.03 -0.30 1.53 0.00 -1.17 -4.97 120.51 116.17 1ur3 n ALA 71 Ca -0.02 -3.91 0.34 0.00 0.00 0.00 0.00 53.44 49.86 1ur3 n ALA 71 Cb 0.53 -0.85 0.65 0.00 0.00 0.00 0.00 19.45 19.78 1ur3 n ALA 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ur3 h PRO 72 N 3.78 0.00 0.00 0.00 0.13 -1.60 0.23 132.00 134.54 1ur3 h PRO 72 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ur3 h PRO 72 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ur3 h PRO 72 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1ur3 n HIS 73 N -3.68 0.00 0.38 1.56 1.44 -1.26 -3.36 115.22 110.30 1ur3 n HIS 73 Ca 0.26 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.11 1ur3 n HIS 73 Cb 1.44 -0.06 0.41 0.00 0.12 0.00 0.00 29.99 31.90 1ur3 n HIS 73 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1ur3 h LEU 74 N 0.00 0.00 0.74 2.39 3.38 -0.86 -3.34 115.31 117.61 1ur3 h LEU 74 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ur3 h LEU 74 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ur3 h LEU 74 CO 0.00 0.00 -0.35 -0.09 0.09 0.00 0.00 178.44 178.09 1ur3 h ARG 75 N 0.00 -0.95 -1.28 1.13 9.65 -1.78 -2.94 114.38 118.20 1ur3 h ARG 75 Ca 0.00 0.06 0.44 0.00 -1.10 0.00 0.00 59.98 59.39 1ur3 h ARG 75 Cb 0.70 0.22 -0.14 0.00 -1.39 0.00 0.00 29.97 29.36 1ur3 h ARG 75 CO 0.00 -0.64 0.81 1.05 2.80 0.00 0.00 179.97 183.99 1ur3 h GLU 76 N -1.00 0.06 -0.92 0.20 4.11 -1.84 -3.41 114.58 111.78 1ur3 h GLU 76 Ca -0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1ur3 h GLU 76 Cb 0.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ur3 h GLU 76 CO 0.17 0.04 0.00 0.54 0.07 0.00 0.00 179.01 179.83 1ur3 n ARG 77 N -4.80 0.88 -3.66 1.06 1.74 -1.11 -5.17 116.66 105.59 1ur3 n ARG 77 Ca 0.38 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.39 1ur3 n ARG 77 Cb 1.44 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 31.41 1ur3 n ARG 77 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ur3 s GLU 79 N -0.82 0.43 -0.16 5.56 8.01 -0.09 -4.81 118.70 126.82 1ur3 s GLU 79 Ca 0.00 1.10 -0.08 0.00 0.01 0.00 0.00 54.97 56.00 1ur3 s GLU 79 Cb 0.00 0.37 -0.04 0.00 -4.31 0.00 0.00 34.13 30.14 1ur3 s GLU 79 CO 0.00 -0.21 0.13 0.42 0.01 0.00 0.00 175.26 175.61 1ur3 s ILE 80 N 2.36 5.42 -0.09 -1.63 1.01 -1.26 -0.93 121.20 126.08 1ur3 s ILE 80 Ca -0.05 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1ur3 s ILE 80 Cb -0.11 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.96 1ur3 s ILE 80 CO -0.15 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.45 1ur3 s VAL 81 N -0.38 1.72 0.19 2.92 1.01 -0.20 -1.92 120.40 123.74 1ur3 s VAL 81 Ca 0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1ur3 s VAL 81 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ur3 s VAL 81 CO 0.01 0.48 0.10 -0.55 0.00 0.00 0.00 175.10 175.14 1ur3 s SER 82 N 0.53 0.50 0.22 3.32 0.15 -0.84 0.74 113.70 118.32 1ur3 s SER 82 Ca -0.16 -1.33 0.01 0.00 0.70 0.00 0.00 55.95 55.17 1ur3 s SER 82 Cb -0.17 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 1ur3 s SER 82 CO 0.06 -0.77 0.08 -0.54 1.20 0.00 0.00 173.24 173.27 1ur3 s LYS 83 N -4.09 1.26 0.20 5.44 1.02 -1.18 -1.56 119.74 120.82 1ur3 s LYS 83 Ca 0.34 -1.65 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 1ur3 s LYS 83 Cb 0.07 -0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1ur3 s LYS 83 CO 0.09 -0.27 0.60 0.00 -0.92 0.00 0.00 175.35 174.85 1ur3 n GLY 85 N -0.38 1.54 3.63 0.00 0.00 -1.26 0.13 105.19 108.84 1ur3 n GLY 85 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1ur3 n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ur3 s ILE 86 N -1.77 3.99 -0.28 -0.61 1.01 -1.26 -1.36 121.20 120.92 1ur3 s ILE 86 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1ur3 s ILE 86 Cb 0.00 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 39.89 1ur3 s ILE 86 CO 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 174.94 175.51 1ur3 s ALA 87 N -0.84 2.35 0.28 9.38 0.00 -0.53 -4.72 121.76 127.67 1ur3 s ALA 87 Ca 0.13 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.28 1ur3 s ALA 87 Cb -0.11 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1ur3 s ALA 87 CO 0.02 -1.37 0.45 0.95 0.00 0.00 0.00 175.76 175.81 1ur3 s THR 88 N 1.20 5.17 -2.00 0.00 -4.23 -1.26 -2.56 115.64 111.97 1ur3 s THR 88 Ca -0.01 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1ur3 s THR 88 Cb -0.19 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 69.93 1ur3 s THR 88 CO -0.08 -0.39 0.77 0.35 -0.54 0.00 0.00 174.62 174.73 1ur3 n THR 89 N -1.36 0.00 0.58 3.99 -2.24 -1.26 -2.63 114.28 111.36 1ur3 n THR 89 Ca -0.06 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1ur3 n THR 89 Cb 0.56 -0.30 0.37 0.00 -2.10 0.00 0.00 70.33 68.85 1ur3 n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ur3 n ALA 90 N -0.60 1.78 -2.40 6.98 0.00 -1.26 -4.63 120.51 120.37 1ur3 n ALA 90 Ca 0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1ur3 n ALA 90 Cb 0.01 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1ur3 n ALA 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ur3 s ARG 91 N -3.02 1.90 0.15 0.00 0.52 -1.08 -5.03 118.95 112.39 1ur3 s ARG 91 Ca 0.08 -1.07 0.22 0.00 -0.52 0.00 0.00 55.73 54.44 1ur3 s ARG 91 Cb 0.11 -2.07 0.89 0.00 0.52 0.00 0.00 34.95 34.40 1ur3 s ARG 91 CO 0.32 0.52 1.69 0.39 0.02 0.00 0.00 175.30 178.24 1ur3 n GLU 92 N 1.59 0.13 0.11 3.54 1.02 -1.26 -2.26 120.64 123.52 1ur3 n GLU 92 Ca -0.17 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.24 1ur3 n GLU 92 Cb 0.52 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1ur3 n GLU 92 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ur3 h GLU 93 N 0.00 0.00 -3.79 3.49 3.07 -1.95 -3.39 114.58 112.01 1ur3 h GLU 93 Ca 0.00 0.00 -0.78 0.00 -0.50 0.00 0.00 59.36 58.08 1ur3 h GLU 93 Cb 0.42 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.06 1ur3 h GLU 93 CO 0.00 0.74 0.05 -0.80 -1.40 0.00 0.00 179.01 177.60 1ur3 s ASN 94 N -6.66 6.59 0.49 1.42 0.01 -0.96 -4.85 114.94 110.98 1ur3 s ASN 94 Ca 0.01 -2.74 0.28 0.00 -0.71 0.00 0.00 52.86 49.69 1ur3 s ASN 94 Cb 0.10 -2.17 1.15 0.00 0.41 0.00 0.00 41.25 40.75 1ur3 s ASN 94 CO 0.78 -0.54 1.91 0.58 -1.51 0.00 0.00 177.10 178.32 1ur3 h VAL 95 N 4.80 0.38 -3.98 1.60 2.07 -1.78 -3.36 116.25 115.98 1ur3 h VAL 95 Ca 0.10 -0.84 -0.21 0.00 0.82 0.00 0.00 66.70 66.57 1ur3 h VAL 95 Cb 1.03 1.62 -0.18 0.00 -1.52 0.00 0.00 31.29 32.24 1ur3 h VAL 95 CO 0.75 0.14 -0.70 -0.51 0.02 0.00 0.00 177.57 177.26 1ur3 s ILE 96 N -3.74 0.45 -0.54 4.57 2.07 -1.26 -4.95 121.20 117.80 1ur3 s ILE 96 Ca 0.00 -1.48 -0.28 0.00 -1.41 0.00 0.00 60.65 57.48 1ur3 s ILE 96 Cb 0.10 -1.09 0.03 0.00 0.13 0.00 0.00 42.46 41.63 1ur3 s ILE 96 CO 0.60 -0.69 1.22 -0.83 -1.91 0.00 0.00 174.94 173.33 1ur3 s GLY 97 N -2.31 1.14 0.37 1.50 0.00 -1.26 -4.69 107.32 102.06 1ur3 s GLY 97 Ca -0.00 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.08 1ur3 s GLY 97 CO -0.04 2.54 0.12 -2.38 0.00 0.00 0.00 173.10 173.35 1ur3 s HIS 98 N 5.00 1.77 0.14 1.90 -3.43 -1.06 -5.01 115.29 114.60 1ur3 s HIS 98 Ca 0.47 -1.25 0.05 0.00 -0.80 0.00 0.00 55.06 53.52 1ur3 s HIS 98 Cb -0.08 -1.10 -0.04 0.00 -1.43 0.00 0.00 32.58 29.93 1ur3 s HIS 98 CO 0.27 -0.30 0.11 0.71 -2.00 0.00 0.00 174.74 173.53 1ur3 s TYR 99 N -3.33 3.14 -0.32 0.38 2.02 -1.26 -1.46 117.35 116.53 1ur3 s TYR 99 Ca 0.29 0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1ur3 s TYR 99 Cb 0.04 -1.54 0.12 0.00 -0.40 0.00 0.00 41.96 40.19 1ur3 s TYR 99 CO 0.16 0.52 0.19 0.42 -1.57 0.00 0.00 175.55 175.26 1ur3 s ILE 100 N -1.63 -0.04 -0.34 2.71 1.01 -0.46 -4.91 121.20 117.53 1ur3 s ILE 100 Ca 0.30 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1ur3 s ILE 100 Cb -0.11 -1.01 0.46 0.00 0.01 0.00 0.00 42.46 41.81 1ur3 s ILE 100 CO 0.23 -0.79 1.29 0.35 0.00 0.00 0.00 174.94 176.02 1ur3 n THR 101 N 4.75 2.66 -3.31 2.92 -2.24 -1.26 -4.08 114.28 113.72 1ur3 n THR 101 Ca 0.02 -4.08 -0.31 0.00 -2.27 0.00 0.00 64.05 57.41 1ur3 n THR 101 Cb 0.41 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 1ur3 n THR 101 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ur3 s ASP 102 N -3.38 6.61 0.00 3.42 1.01 -1.26 -4.48 116.67 118.60 1ur3 s ASP 102 Ca 0.53 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1ur3 s ASP 102 Cb 0.42 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 42.11 1ur3 s ASP 102 CO 0.03 -0.14 0.87 -1.14 0.21 0.00 0.00 175.17 175.00 1ur3 n ARG 103 N -0.38 0.00 -0.34 8.23 0.63 -1.26 -1.80 116.66 121.74 1ur3 n ARG 103 Ca 0.01 0.82 0.18 0.00 -0.92 0.00 0.00 57.85 57.93 1ur3 n ARG 103 Cb 0.53 -1.37 0.41 0.00 0.45 0.00 0.00 32.46 32.47 1ur3 n ARG 103 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1ur3 h ASP 104 N 0.00 0.63 -0.40 6.15 3.32 -1.96 -0.65 116.42 123.52 1ur3 h ASP 104 Ca 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1ur3 h ASP 104 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1ur3 h ASP 104 CO 0.00 0.15 -0.14 -0.74 -1.72 0.00 0.00 179.24 176.79 1ur3 h HIS 105 N 0.58 0.97 -0.61 4.55 2.76 -1.83 0.43 115.15 122.00 1ur3 h HIS 105 Ca 0.60 -0.20 -0.10 0.00 -2.20 0.00 0.00 60.37 58.48 1ur3 h HIS 105 Cb 1.20 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 1ur3 h HIS 105 CO -0.00 0.94 -0.01 0.82 -1.30 0.00 0.00 177.93 178.38 1ur3 h ILE 106 N 0.77 1.27 -0.40 6.26 2.04 -0.34 -0.08 117.51 127.03 1ur3 h ILE 106 Ca 0.12 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.71 1ur3 h ILE 106 Cb 0.66 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1ur3 h ILE 106 CO 0.05 0.42 -0.15 0.40 0.00 0.00 0.00 178.15 178.87 1ur3 h ILE 107 N 0.98 1.28 0.22 -0.67 2.04 -1.08 -1.92 117.51 118.36 1ur3 h ILE 107 Ca 0.17 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1ur3 h ILE 107 Cb 0.57 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1ur3 h ILE 107 CO 0.03 0.43 -0.28 0.50 0.00 0.00 0.00 178.15 178.83 1ur3 h LYS 108 N 0.61 -0.49 -0.74 2.37 3.64 0.22 -0.39 116.57 121.79 1ur3 h LYS 108 Ca 0.09 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1ur3 h LYS 108 Cb 0.70 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 1ur3 h LYS 108 CO 0.05 -0.32 0.36 0.77 -2.27 0.00 0.00 179.45 178.04 1ur3 h SER 109 N -0.50 0.45 0.29 4.20 0.02 -1.07 0.30 113.55 117.24 1ur3 h SER 109 Ca -0.03 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ur3 h SER 109 Cb 0.45 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1ur3 h SER 109 CO -0.07 0.24 -0.33 0.00 -1.14 0.00 0.00 176.83 175.53 1ur3 h ALA 110 N 1.46 -0.99 -0.64 3.77 0.00 -1.13 0.58 119.26 122.31 1ur3 h ALA 110 Ca 0.37 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1ur3 h ALA 110 Cb 0.44 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1ur3 h ALA 110 CO -0.30 -1.02 0.44 0.93 0.00 0.00 0.00 179.25 179.31 1ur3 h GLU 111 N -0.63 0.18 0.00 0.00 5.08 -0.71 0.34 114.58 118.84 1ur3 h GLU 111 Ca -0.04 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1ur3 h GLU 111 Cb 0.56 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ur3 h GLU 111 CO -0.06 0.12 -0.43 1.96 -1.00 0.00 0.00 179.01 179.60 1ur3 h GLN 112 N 0.19 0.00 -0.01 2.33 1.08 -0.22 -2.82 115.11 115.66 1ur3 h GLN 112 Ca 0.31 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1ur3 h GLN 112 Cb 0.95 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1ur3 h GLN 112 CO -0.05 0.43 -0.00 0.77 -0.95 0.00 0.00 178.83 179.02 1ur3 h SER 113 N 0.00 0.02 -0.62 1.46 0.02 0.19 -0.97 113.55 113.65 1ur3 h SER 113 Ca -0.00 -0.41 0.13 0.00 -0.84 0.00 0.00 61.79 60.66 1ur3 h SER 113 Cb 0.88 -0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.31 1ur3 h SER 113 CO 0.06 0.42 0.06 -0.07 -1.14 0.00 0.00 176.83 176.16 1ur3 h LEU 114 N -0.39 -0.15 0.49 5.07 3.38 -1.33 0.46 115.31 122.85 1ur3 h LEU 114 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ur3 h LEU 114 Cb 0.42 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ur3 h LEU 114 CO 0.00 -0.06 -0.24 0.40 0.09 0.00 0.00 178.44 178.63 1ur3 h ILE 115 N 0.18 0.47 -0.87 1.22 2.04 -1.43 0.22 117.51 119.33 1ur3 h ILE 115 Ca 0.33 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1ur3 h ILE 115 Cb 0.52 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1ur3 h ILE 115 CO -0.48 0.05 0.54 0.78 0.00 0.00 0.00 178.15 179.04 1ur3 h ASN 116 N -0.85 0.84 0.83 1.72 2.35 -0.68 -1.50 115.58 118.28 1ur3 h ASN 116 Ca -0.07 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1ur3 h ASN 116 Cb 0.58 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1ur3 h ASN 116 CO 0.11 0.53 -0.00 0.18 -1.65 0.00 0.00 177.43 176.59 1ur3 n LEU 117 N -4.62 0.01 -3.35 1.61 4.77 0.16 -3.71 117.00 111.86 1ur3 n LEU 117 Ca 0.13 0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 56.34 1ur3 n LEU 117 Cb 0.19 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1ur3 n LEU 117 CO 0.30 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.38 1ur3 n ALA 118 N -1.41 -2.45 -3.10 -1.18 0.00 -0.07 -4.42 120.51 107.88 1ur3 n ALA 118 Ca 0.10 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1ur3 n ALA 118 Cb 0.30 -5.18 -0.08 0.00 0.00 0.00 0.00 19.45 14.50 1ur3 n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ur3 s THR 119 N -3.41 0.07 -1.60 0.00 2.01 -0.43 -4.90 115.64 107.38 1ur3 s THR 119 Ca 0.41 -0.61 0.27 0.00 0.31 0.00 0.00 61.69 62.08 1ur3 s THR 119 Cb -0.07 -0.79 0.30 0.00 0.01 0.00 0.00 72.50 71.95 1ur3 s THR 119 CO 0.76 -0.34 1.66 -0.90 -0.69 0.00 0.00 174.62 175.12 1ur3 n ASP 120 N 0.90 0.74 -3.55 3.53 5.75 -1.26 -4.44 116.55 118.23 1ur3 n ASP 120 Ca -0.20 -0.66 -0.16 0.00 -0.01 0.00 0.00 54.79 53.76 1ur3 n ASP 120 Cb 0.58 0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.66 1ur3 n ASP 120 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1ur3 s HIS 121 N -2.57 -0.61 -0.14 2.11 -3.43 -1.26 -4.58 115.29 104.82 1ur3 s HIS 121 Ca 0.24 1.10 -0.04 0.00 -0.80 0.00 0.00 55.06 55.56 1ur3 s HIS 121 Cb 0.19 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 1ur3 s HIS 121 CO 0.53 -0.52 0.01 -0.51 -2.00 0.00 0.00 174.74 172.24 1ur3 s LEU 122 N -0.98 3.56 0.17 5.38 1.43 0.65 -4.91 118.68 123.98 1ur3 s LEU 122 Ca -0.08 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1ur3 s LEU 122 Cb -0.01 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.39 1ur3 s LEU 122 CO 0.07 0.25 1.52 0.44 0.23 0.00 0.00 176.35 178.86 1ur3 h ASP 123 N 6.12 0.90 -3.78 2.29 3.32 -1.69 -2.43 116.42 121.15 1ur3 h ASP 123 Ca -0.40 -0.40 -0.17 0.00 0.02 0.00 0.00 57.03 56.08 1ur3 h ASP 123 Cb 1.18 -0.25 -0.26 0.00 0.22 0.00 0.00 39.33 40.22 1ur3 h ASP 123 CO 0.62 1.16 -0.45 -0.22 -1.72 0.00 0.00 179.24 178.63 1ur3 s LEU 124 N -8.82 1.08 -0.05 1.55 2.96 -0.85 -1.71 118.68 112.84 1ur3 s LEU 124 Ca -0.10 0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1ur3 s LEU 124 Cb 0.12 0.78 0.00 0.00 0.50 0.00 0.00 46.19 47.59 1ur3 s LEU 124 CO 0.87 -0.09 -0.15 -0.22 -1.32 0.00 0.00 176.35 175.43 1ur3 s LEU 125 N 0.20 1.85 0.06 -0.68 0.20 -0.48 -1.98 118.68 117.84 1ur3 s LEU 125 Ca -0.01 -0.33 0.09 0.00 0.69 0.00 0.00 54.13 54.57 1ur3 s LEU 125 Cb -0.02 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.79 1ur3 s LEU 125 CO -0.00 0.11 -0.25 -0.76 -0.29 0.00 0.00 176.35 175.16 1ur3 s LEU 126 N 0.23 2.20 -0.27 -0.68 1.43 -0.60 0.26 118.68 121.25 1ur3 s LEU 126 Ca -0.07 -0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1ur3 s LEU 126 Cb -0.13 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1ur3 s LEU 126 CO 0.03 0.22 1.02 -0.63 0.23 0.00 0.00 176.35 177.21 1ur3 s ILE 127 N -0.87 4.64 0.23 -0.59 -1.09 -0.82 -1.67 121.20 121.03 1ur3 s ILE 127 Ca 0.11 1.84 -0.08 0.00 -2.23 0.00 0.00 60.65 60.29 1ur3 s ILE 127 Cb -0.10 -4.32 0.20 0.00 -1.58 0.00 0.00 42.46 36.66 1ur3 s ILE 127 CO 0.03 -0.28 1.70 -0.74 -1.23 0.00 0.00 174.94 174.42 1ur3 h HIS 128 N 7.73 0.24 -3.67 3.97 2.76 0.76 -2.02 115.15 124.92 1ur3 h HIS 128 Ca -0.20 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 57.93 1ur3 h HIS 128 Cb 1.07 -0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.90 1ur3 h HIS 128 CO 0.78 -0.05 -0.20 1.03 -1.30 0.00 0.00 177.93 178.19 1ur3 s ARG 129 N -6.08 1.19 -0.11 5.26 0.52 -1.25 -4.36 118.95 114.11 1ur3 s ARG 129 Ca -0.13 -1.03 -0.28 0.00 -0.52 0.00 0.00 55.73 53.77 1ur3 s ARG 129 Cb 0.19 0.42 -0.02 0.00 0.52 0.00 0.00 34.95 36.07 1ur3 s ARG 129 CO 0.75 -0.46 0.93 -1.25 0.02 0.00 0.00 175.30 175.29 1ur3 s PRO 130 N -3.92 4.40 -0.20 3.54 0.04 -1.26 -4.97 135.00 132.62 1ur3 s PRO 130 Ca 0.13 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 1ur3 s PRO 130 Cb 0.02 -3.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1ur3 s PRO 130 CO -0.03 -0.27 0.14 0.34 0.04 0.00 0.00 177.00 177.23 1ur3 s ASP 131 N 1.08 6.21 0.59 6.66 2.15 -1.26 -4.95 116.67 127.15 1ur3 s ASP 131 Ca 0.45 0.22 0.29 0.00 0.43 0.00 0.00 52.55 53.94 1ur3 s ASP 131 Cb -0.18 -2.10 1.65 0.00 -0.30 0.00 0.00 42.92 41.99 1ur3 s ASP 131 CO 0.17 0.16 2.07 -0.65 -0.17 0.00 0.00 175.17 176.75 1ur3 h PRO 132 N 6.80 0.00 -4.68 4.34 0.11 -1.99 -3.46 132.00 133.13 1ur3 h PRO 132 Ca -0.41 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.00 1ur3 h PRO 132 Cb 1.15 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.07 1ur3 h PRO 132 CO 0.74 0.00 0.08 -0.51 -0.21 0.00 0.00 178.00 178.10 1ur3 s LEU 133 N -7.46 5.39 -0.30 2.35 1.43 -1.26 -5.18 118.68 113.64 1ur3 s LEU 133 Ca -0.05 -1.39 -0.07 0.00 -1.03 0.00 0.00 54.13 51.60 1ur3 s LEU 133 Cb 0.15 -2.31 0.19 0.00 0.03 0.00 0.00 46.19 44.24 1ur3 s LEU 133 CO 0.53 -1.06 0.95 -0.62 0.23 0.00 0.00 176.35 176.38 1ur3 s ASP 135 N 3.48 -0.67 0.44 2.29 3.68 -1.26 -4.97 116.67 119.66 1ur3 s ASP 135 Ca 0.11 0.03 0.31 0.00 2.13 0.00 0.00 52.55 55.13 1ur3 s ASP 135 Cb -0.24 1.35 1.46 0.00 -1.45 0.00 0.00 42.92 44.05 1ur3 s ASP 135 CO 0.07 -0.12 1.59 0.00 0.13 0.00 0.00 175.17 176.85 1ur3 h ALA 136 N 7.22 2.77 -0.16 3.66 0.00 -1.95 0.35 119.26 131.15 1ur3 h ALA 136 Ca -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ur3 h ALA 136 Cb 1.18 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ur3 h ALA 136 CO -0.04 -1.45 -0.04 -0.44 0.00 0.00 0.00 179.25 177.28 1ur3 h ASP 137 N 0.04 0.30 -0.16 0.00 3.32 -1.94 0.27 116.42 118.25 1ur3 h ASP 137 Ca 0.86 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.54 1ur3 h ASP 137 Cb 2.72 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 42.18 1ur3 h ASP 137 CO -0.46 0.60 0.09 -0.08 -1.72 0.00 0.00 179.24 177.67 1ur3 h GLU 138 N 0.01 0.22 -0.15 3.56 4.81 -0.71 0.40 114.58 122.70 1ur3 h GLU 138 Ca 0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ur3 h GLU 138 Cb 0.46 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1ur3 h GLU 138 CO 0.02 0.19 0.07 0.28 -0.73 0.00 0.00 179.01 178.84 1ur3 h VAL 139 N 0.18 1.13 -0.06 0.32 2.07 -1.34 -1.36 116.25 117.19 1ur3 h VAL 139 Ca 0.06 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1ur3 h VAL 139 Cb 0.04 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1ur3 h VAL 139 CO -0.01 0.13 0.05 0.00 0.02 0.00 0.00 177.57 177.76 1ur3 h ALA 140 N 0.93 1.89 0.01 1.67 0.00 -0.77 0.11 119.26 123.09 1ur3 h ALA 140 Ca 0.05 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1ur3 h ALA 140 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ur3 h ALA 140 CO -0.01 -0.09 -0.87 0.22 0.00 0.00 0.00 179.25 178.51 1ur3 h ASP 141 N 0.00 0.14 -0.13 0.00 1.82 -0.33 -2.21 116.42 115.72 1ur3 h ASP 141 Ca 0.03 -0.12 -0.06 0.00 -0.39 0.00 0.00 57.03 56.49 1ur3 h ASP 141 Cb 0.14 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1ur3 h ASP 141 CO -0.00 0.94 -0.14 0.00 -1.61 0.00 0.00 179.24 178.42 1ur3 h ALA 142 N 1.05 0.19 -0.96 -0.78 0.00 0.22 -2.87 119.26 116.11 1ur3 h ALA 142 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ur3 h ALA 142 Cb 1.50 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1ur3 h ALA 142 CO 0.12 0.07 0.63 0.74 0.00 0.00 0.00 179.25 180.82 1ur3 h PHE 143 N -0.07 1.20 -0.22 0.00 0.04 -0.96 -1.77 116.94 115.16 1ur3 h PHE 143 Ca 0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1ur3 h PHE 143 Cb 0.68 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1ur3 h PHE 143 CO 0.09 0.73 0.00 0.87 -0.60 0.00 0.00 178.31 179.40 1ur3 h LYS 144 N 1.27 0.31 0.20 1.51 1.57 -1.36 -0.49 116.57 119.59 1ur3 h LYS 144 Ca 0.36 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1ur3 h LYS 144 Cb -0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1ur3 h LYS 144 CO -0.09 0.34 -0.10 1.25 -0.57 0.00 0.00 179.45 180.28 1ur3 h HIS 145 N 0.31 -0.25 -0.78 -1.35 2.76 -1.12 -1.94 115.15 112.78 1ur3 h HIS 145 Ca 0.07 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.30 1ur3 h HIS 145 Cb 0.20 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 1ur3 h HIS 145 CO 0.00 0.15 0.51 -0.07 -1.30 0.00 0.00 177.93 177.23 1ur3 h LEU 146 N -0.86 0.73 -0.18 0.26 3.38 -1.20 -2.54 115.31 114.90 1ur3 h LEU 146 Ca -0.03 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1ur3 h LEU 146 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ur3 h LEU 146 CO 0.05 0.47 -0.38 -0.74 0.09 0.00 0.00 178.44 177.93 1ur3 h HIS 147 N 0.83 0.72 -0.46 1.13 2.76 -1.14 -2.75 115.15 116.24 1ur3 h HIS 147 Ca 0.34 -0.27 0.13 0.00 -2.20 0.00 0.00 60.37 58.38 1ur3 h HIS 147 Cb 0.26 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1ur3 h HIS 147 CO -0.00 1.01 0.51 0.37 -1.30 0.00 0.00 177.93 178.53 1ur3 h GLN 148 N 0.22 0.00 -0.33 5.26 4.15 -0.90 0.69 115.11 124.20 1ur3 h GLN 148 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ur3 h GLN 148 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1ur3 h GLN 148 CO 0.08 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 175.85 1ur3 n SER 149 N -3.64 3.17 0.00 -0.69 3.41 -1.20 -4.95 113.62 109.72 1ur3 n SER 149 Ca 0.09 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1ur3 n SER 149 Cb 0.70 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1ur3 n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ur3 n GLY 150 N 1.22 0.41 0.27 5.00 0.00 0.23 -4.86 105.19 107.47 1ur3 n GLY 150 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1ur3 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ur3 h LYS 151 N 1.12 0.71 -4.49 1.61 1.57 -1.71 -3.42 116.57 111.95 1ur3 h LYS 151 Ca 0.00 -0.22 -0.44 0.00 -1.87 0.00 0.00 60.65 58.12 1ur3 h LYS 151 Cb 0.21 -0.07 -0.32 0.00 0.08 0.00 0.00 32.23 32.13 1ur3 h LYS 151 CO 0.00 0.79 -0.79 0.08 -0.57 0.00 0.00 179.45 178.96 1ur3 s VAL 152 N -4.80 0.82 -0.09 0.50 1.01 -1.07 -0.25 120.40 116.51 1ur3 s VAL 152 Ca -0.09 -0.34 0.15 0.00 0.00 0.00 0.00 61.98 61.70 1ur3 s VAL 152 Cb 0.14 -0.75 -0.22 0.00 0.00 0.00 0.00 36.38 35.55 1ur3 s VAL 152 CO 0.81 0.27 0.36 -2.11 0.00 0.00 0.00 175.10 174.42 1ur3 n ARG 153 N 3.53 0.63 -3.84 2.72 1.85 -0.91 -4.01 116.66 116.63 1ur3 n ARG 153 Ca -0.21 -0.12 -0.12 0.00 -1.00 0.00 0.00 57.85 56.40 1ur3 n ARG 153 Cb 0.53 -1.34 -0.12 0.00 -1.05 0.00 0.00 32.46 30.49 1ur3 n ARG 153 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ur3 s HIS 154 N -2.97 -0.09 0.08 2.89 3.76 -0.69 -5.01 115.29 113.26 1ur3 s HIS 154 Ca -0.04 0.22 0.10 0.00 -0.15 0.00 0.00 55.06 55.19 1ur3 s HIS 154 Cb 0.10 0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.77 1ur3 s HIS 154 CO 0.62 -0.15 -0.25 -0.06 -0.85 0.00 0.00 174.74 174.05 1ur3 s PHE 155 N -0.42 2.37 0.03 1.40 0.40 -1.26 -1.39 117.98 119.11 1ur3 s PHE 155 Ca -0.05 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1ur3 s PHE 155 Cb -0.03 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1ur3 s PHE 155 CO 0.01 0.25 0.04 0.41 0.70 0.00 0.00 175.22 176.62 1ur3 n GLY 156 N 1.32 3.06 3.19 4.36 0.00 0.14 -1.29 105.19 115.97 1ur3 n GLY 156 Ca -0.17 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1ur3 n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ur3 s VAL 157 N -2.46 0.07 -0.03 1.61 -7.23 -0.90 -1.94 120.40 109.52 1ur3 s VAL 157 Ca 0.02 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1ur3 s VAL 157 Cb -0.00 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1ur3 s VAL 157 CO 0.02 -0.15 0.08 -0.55 -0.31 0.00 0.00 175.10 174.19 1ur3 s SER 158 N -3.13 -0.05 -1.34 4.85 0.15 -0.76 -1.45 113.70 111.97 1ur3 s SER 158 Ca 0.34 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 57.10 1ur3 s SER 158 Cb 0.07 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1ur3 s SER 158 CO 0.09 -0.08 0.96 0.59 1.20 0.00 0.00 173.24 176.00 1ur3 n ASN 159 N 3.60 -3.45 -4.79 5.45 3.02 -0.51 -3.93 115.26 114.65 1ur3 n ASN 159 Ca -0.19 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.34 1ur3 n ASN 159 Cb 0.55 -4.57 -0.07 0.00 -0.61 0.00 0.00 39.78 35.08 1ur3 n ASN 159 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ur3 s PHE 160 N -3.42 3.30 0.38 3.10 2.99 -1.26 -4.16 117.98 118.90 1ur3 s PHE 160 Ca 0.28 0.21 -0.07 0.00 0.00 0.00 0.00 56.93 57.36 1ur3 s PHE 160 Cb -0.13 -1.74 -0.05 0.00 0.00 0.00 0.00 43.02 41.09 1ur3 s PHE 160 CO 0.77 0.56 0.69 0.95 -0.00 0.00 0.00 175.22 178.18 1ur3 s THR 161 N -1.20 4.92 0.33 0.64 -4.23 -1.26 -4.79 115.64 110.05 1ur3 s THR 161 Ca 0.23 0.26 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1ur3 s THR 161 Cb -0.12 -3.77 0.36 0.00 1.34 0.00 0.00 72.50 70.31 1ur3 s THR 161 CO 0.14 -0.53 1.60 -0.65 -0.54 0.00 0.00 174.62 174.64 1ur3 h PRO 162 N 1.13 0.07 -0.64 3.99 0.11 -1.90 0.31 132.00 135.07 1ur3 h PRO 162 Ca -0.47 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1ur3 h PRO 162 Cb 1.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1ur3 h PRO 162 CO 0.64 0.05 0.12 0.00 -0.21 0.00 0.00 178.00 178.60 1ur3 h ALA 163 N 1.94 0.85 -0.12 -0.75 0.00 -1.98 -0.80 119.26 118.40 1ur3 h ALA 163 Ca 0.71 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 1ur3 h ALA 163 Cb 1.67 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ur3 h ALA 163 CO -0.78 0.60 -0.35 1.96 0.00 0.00 0.00 179.25 180.68 1ur3 h GLN 164 N 0.97 0.45 -0.88 0.00 4.20 -0.87 -1.76 115.11 117.22 1ur3 h GLN 164 Ca 0.20 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.65 1ur3 h GLN 164 Cb 0.41 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 1ur3 h GLN 164 CO 0.01 0.94 0.55 0.35 -0.67 0.00 0.00 178.83 180.01 1ur3 h PHE 165 N 0.04 1.02 -0.24 2.96 3.57 -0.83 -1.81 116.94 121.66 1ur3 h PHE 165 Ca -0.01 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 1ur3 h PHE 165 Cb 0.96 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1ur3 h PHE 165 CO 0.11 0.51 -0.42 0.00 -2.23 0.00 0.00 178.31 176.28 1ur3 h ALA 166 N 1.42 0.83 0.76 2.41 0.00 -1.07 -1.57 119.26 122.04 1ur3 h ALA 166 Ca 0.39 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ur3 h ALA 166 Cb 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ur3 h ALA 166 CO -0.18 0.65 -0.36 1.25 0.00 0.00 0.00 179.25 180.61 1ur3 h LEU 167 N 0.46 -0.86 -0.79 0.00 5.85 -0.52 -1.14 115.31 118.32 1ur3 h LEU 167 Ca 0.04 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ur3 h LEU 167 Cb 0.93 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1ur3 h LEU 167 CO 0.08 -0.60 0.44 0.25 -0.34 0.00 0.00 178.44 178.27 1ur3 h LEU 168 N -1.04 0.98 -2.04 2.25 5.85 -1.42 -2.33 115.31 117.56 1ur3 h LEU 168 Ca -0.10 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ur3 h LEU 168 Cb 0.79 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1ur3 h LEU 168 CO 0.17 0.79 0.01 -0.61 -0.34 0.00 0.00 178.44 178.46 1ur3 h GLN 169 N 1.09 0.00 0.00 1.25 5.75 -1.14 -1.56 115.11 120.49 1ur3 h GLN 169 Ca 0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1ur3 h GLN 169 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1ur3 h GLN 169 CO -0.05 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.00 1ur3 n SER 170 N -4.48 0.00 -0.00 -0.69 3.41 -0.44 -3.02 113.62 108.39 1ur3 n SER 170 Ca -0.03 -0.08 0.06 0.00 -0.26 0.00 0.00 58.87 58.56 1ur3 n SER 170 Cb 0.10 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1ur3 n SER 170 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ur3 n ARG 171 N -1.23 1.14 -3.58 4.33 5.12 -0.59 -5.01 116.66 116.83 1ur3 n ARG 171 Ca 0.09 -0.08 -0.37 0.00 -1.93 0.00 0.00 57.85 55.56 1ur3 n ARG 171 Cb 0.12 -1.20 -0.06 0.00 -1.16 0.00 0.00 32.46 30.16 1ur3 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ur3 s LEU 172 N -3.45 4.40 0.00 0.55 1.43 -1.17 -4.95 118.68 115.49 1ur3 s LEU 172 Ca -0.02 0.76 0.26 0.00 -1.03 0.00 0.00 54.13 54.10 1ur3 s LEU 172 Cb 0.08 -2.43 1.23 0.00 0.03 0.00 0.00 46.19 45.09 1ur3 s LEU 172 CO 0.47 0.28 1.87 -0.81 0.23 0.00 0.00 176.35 178.39 1ur3 n PRO 173 N 2.30 0.18 -4.40 1.29 -0.04 -1.26 -4.78 135.00 128.29 1ur3 n PRO 173 Ca -0.15 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.11 1ur3 n PRO 173 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 1ur3 n PRO 173 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ur3 s PHE 174 N -2.80 2.44 -0.16 0.54 -0.12 -1.26 -5.12 117.98 111.51 1ur3 s PHE 174 Ca 0.19 -0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 56.50 1ur3 s PHE 174 Cb 0.18 -1.10 -0.01 0.00 -0.63 0.00 0.00 43.02 41.46 1ur3 s PHE 174 CO 0.44 0.64 0.92 0.99 -0.05 0.00 0.00 175.22 178.17 1ur3 s THR 175 N -2.27 4.82 -0.00 -4.49 2.01 -1.26 -4.99 115.64 109.45 1ur3 s THR 175 Ca 0.29 1.83 -0.34 0.00 0.31 0.00 0.00 61.69 63.78 1ur3 s THR 175 Cb -0.06 -4.22 -0.13 0.00 0.01 0.00 0.00 72.50 68.10 1ur3 s THR 175 CO 0.16 -0.01 1.76 0.18 -0.69 0.00 0.00 174.62 176.02 1ur3 n LEU 176 N 5.30 3.26 0.01 4.42 4.77 -1.26 -4.75 117.00 128.75 1ur3 n LEU 176 Ca 0.07 1.02 0.13 0.00 -0.03 0.00 0.00 56.01 57.20 1ur3 n LEU 176 Cb 0.48 -1.38 0.59 0.00 -2.33 0.00 0.00 43.42 40.78 1ur3 n LEU 176 CO 0.50 -0.17 0.94 0.00 -1.33 0.00 0.00 177.39 177.33 1ur3 n ALA 177 N 5.41 2.28 0.00 -1.18 0.00 -0.41 -4.95 120.51 121.66 1ur3 n ALA 177 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ur3 n ALA 177 Cb 0.29 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1ur3 n ALA 177 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ur3 n THR 178 N -1.54 0.00 -3.54 0.00 5.66 -1.26 -4.32 114.28 109.27 1ur3 n THR 178 Ca 0.07 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.77 1ur3 n THR 178 Cb 0.33 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.99 1ur3 n THR 178 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ur3 s ASN 179 N 0.00 3.22 -0.22 1.09 2.47 -1.24 -2.11 114.94 118.15 1ur3 s ASN 179 Ca 0.00 -2.21 -0.29 0.00 0.42 0.00 0.00 52.86 50.78 1ur3 s ASN 179 Cb 0.00 -0.57 -0.03 0.00 -1.45 0.00 0.00 41.25 39.20 1ur3 s ASN 179 CO 0.00 -0.31 1.67 -1.58 -3.72 0.00 0.00 177.10 173.16 1ur3 s GLN 180 N 0.98 3.74 0.29 0.43 0.74 -0.53 -4.62 119.66 120.69 1ur3 s GLN 180 Ca 0.17 1.69 0.02 0.00 0.05 0.00 0.00 55.36 57.29 1ur3 s GLN 180 Cb -0.23 -4.07 -0.06 0.00 1.10 0.00 0.00 33.01 29.76 1ur3 s GLN 180 CO -0.03 -1.37 0.08 0.14 -0.55 0.00 0.00 175.29 173.57 1ur3 s VAL 181 N 5.46 0.81 -0.25 1.34 -7.23 -1.26 -1.43 120.40 117.85 1ur3 s VAL 181 Ca 0.74 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.73 1ur3 s VAL 181 Cb -0.26 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 1ur3 s VAL 181 CO 0.30 0.00 0.50 -0.70 -0.31 0.00 0.00 175.10 174.90 1ur3 s GLU 182 N -3.97 4.09 -0.05 4.82 2.12 -1.26 -1.59 118.70 122.86 1ur3 s GLU 182 Ca 0.37 0.31 -0.00 0.00 0.36 0.00 0.00 54.97 56.01 1ur3 s GLU 182 Cb 0.08 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.86 1ur3 s GLU 182 CO 0.14 -0.30 -0.00 0.42 -0.54 0.00 0.00 175.26 174.98 1ur3 s ILE 183 N 2.15 0.31 -0.08 -3.70 1.01 -1.13 -4.79 121.20 114.96 1ur3 s ILE 183 Ca 0.21 0.09 -0.32 0.00 0.00 0.00 0.00 60.65 60.63 1ur3 s ILE 183 Cb -0.16 -0.43 0.13 0.00 0.01 0.00 0.00 42.46 42.01 1ur3 s ILE 183 CO 0.09 0.21 1.28 -0.94 0.00 0.00 0.00 174.94 175.58 1ur3 s SER 184 N 1.53 -0.07 0.33 3.58 1.04 -0.87 -4.61 113.70 114.62 1ur3 s SER 184 Ca -0.02 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1ur3 s SER 184 Cb -0.13 0.14 0.78 0.00 0.10 0.00 0.00 66.02 66.92 1ur3 s SER 184 CO -0.03 -0.25 1.81 -0.65 0.98 0.00 0.00 173.24 175.10 1ur3 h PRO 185 N 2.00 0.71 0.00 4.02 0.11 -1.96 0.39 132.00 137.26 1ur3 h PRO 185 Ca -0.23 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1ur3 h PRO 185 Cb 1.19 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ur3 h PRO 185 CO 0.26 0.47 -0.14 0.28 -0.21 0.00 0.00 178.00 178.66 1ur3 h VAL 186 N 0.73 0.33 -2.78 3.15 2.07 -1.95 -3.39 116.25 114.41 1ur3 h VAL 186 Ca 0.53 -0.97 -0.59 0.00 0.82 0.00 0.00 66.70 66.48 1ur3 h VAL 186 Cb 0.86 1.75 -0.39 0.00 -1.52 0.00 0.00 31.29 31.98 1ur3 h VAL 186 CO -0.30 0.14 -0.80 -2.28 0.02 0.00 0.00 177.57 174.35 1ur3 s HIS 187 N -3.56 1.24 -0.42 1.57 5.65 0.12 -4.97 115.29 114.91 1ur3 s HIS 187 Ca 0.02 -1.91 0.12 0.00 0.25 0.00 0.00 55.06 53.53 1ur3 s HIS 187 Cb 0.09 -1.33 0.33 0.00 -1.18 0.00 0.00 32.58 30.49 1ur3 s HIS 187 CO 0.62 -0.81 1.26 1.04 -0.65 0.00 0.00 174.74 176.19 1ur3 n GLN 188 N 3.93 2.71 -0.22 2.88 6.02 -1.18 -2.05 117.38 129.46 1ur3 n GLN 188 Ca 0.09 -2.30 -0.01 0.00 -0.01 0.00 0.00 57.00 54.77 1ur3 n GLN 188 Cb 0.36 -1.45 0.10 0.00 1.02 0.00 0.00 30.24 30.27 1ur3 n GLN 188 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ur3 h PRO 189 N 1.36 0.59 0.00 -1.09 0.13 -1.91 -0.79 132.00 130.29 1ur3 h PRO 189 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ur3 h PRO 189 Cb 0.97 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ur3 h PRO 189 CO 0.08 0.39 0.11 1.28 -0.23 0.00 0.00 178.00 179.62 1ur3 n LEU 190 N -4.84 0.19 0.22 1.56 4.32 -1.26 -1.23 117.00 115.95 1ur3 n LEU 190 Ca 0.08 0.52 0.11 0.00 -0.02 0.00 0.00 56.01 56.71 1ur3 n LEU 190 Cb 0.20 -0.53 0.19 0.00 -1.62 0.00 0.00 43.42 41.66 1ur3 n LEU 190 CO 0.27 -0.59 0.79 -0.07 -1.22 0.00 0.00 177.39 176.58 1ur3 h LEU 191 N 0.00 0.00 0.00 2.23 4.07 -1.49 -3.20 115.31 116.92 1ur3 h LEU 191 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ur3 h LEU 191 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1ur3 h LEU 191 CO 0.00 0.05 -0.01 0.18 -1.08 0.00 0.00 178.44 177.58 1ur3 n LEU 192 N -3.11 0.00 -0.77 1.67 4.77 -0.37 -4.78 117.00 114.40 1ur3 n LEU 192 Ca 0.04 -0.40 0.05 0.00 -0.03 0.00 0.00 56.01 55.67 1ur3 n LEU 192 Cb 0.54 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.80 1ur3 n LEU 192 CO 0.34 0.00 0.62 -0.90 -1.33 0.00 0.00 177.39 176.13 1ur3 n ASP 193 N -0.80 2.22 0.00 -1.43 3.85 -1.06 -4.91 116.55 114.42 1ur3 n ASP 193 Ca 0.00 -2.09 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 1ur3 n ASP 193 Cb 0.00 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 1ur3 n ASP 193 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ur3 n GLY 194 N 0.94 3.27 0.22 6.12 0.00 -1.26 -4.89 105.19 109.60 1ur3 n GLY 194 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1ur3 n GLY 194 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ur3 h THR 195 N 0.00 0.58 0.00 2.61 2.02 -1.92 -1.30 112.91 114.91 1ur3 h THR 195 Ca 0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1ur3 h THR 195 Cb 0.00 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1ur3 h THR 195 CO 0.00 0.03 -0.21 -0.07 0.37 0.00 0.00 175.52 175.63 1ur3 h LEU 196 N 0.15 0.00 -0.22 2.58 3.38 -1.90 -2.97 115.31 116.33 1ur3 h LEU 196 Ca 0.29 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 1ur3 h LEU 196 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ur3 h LEU 196 CO -0.44 0.21 -0.90 0.44 0.09 0.00 0.00 178.44 177.84 1ur3 h ASP 197 N 0.00 0.50 -0.45 -0.43 3.32 -1.72 -1.37 116.42 116.27 1ur3 h ASP 197 Ca -0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 1ur3 h ASP 197 Cb 1.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1ur3 h ASP 197 CO 0.03 1.18 0.05 -0.61 -1.72 0.00 0.00 179.24 178.17 1ur3 h GLN 198 N 0.23 0.76 0.06 3.56 4.15 -1.27 0.94 115.11 123.54 1ur3 h GLN 198 Ca -0.07 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1ur3 h GLN 198 Cb 1.53 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1ur3 h GLN 198 CO 0.15 0.79 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.75 1ur3 h LEU 199 N 0.62 -0.07 -1.02 -2.39 3.38 -1.44 -0.91 115.31 113.47 1ur3 h LEU 199 Ca 0.13 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ur3 h LEU 199 Cb 0.42 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1ur3 h LEU 199 CO 0.01 0.09 0.57 -0.61 0.09 0.00 0.00 178.44 178.59 1ur3 h GLN 200 N -0.22 1.24 -0.76 1.13 4.15 -1.14 0.14 115.11 119.64 1ur3 h GLN 200 Ca -0.01 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 1ur3 h GLN 200 Cb 0.19 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1ur3 h GLN 200 CO 0.01 0.85 0.29 0.37 -1.93 0.00 0.00 178.83 178.43 1ur3 h GLN 201 N 1.26 1.14 -0.00 1.69 4.15 -0.55 -2.45 115.11 120.34 1ur3 h GLN 201 Ca 0.33 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1ur3 h GLN 201 Cb -0.08 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.43 1ur3 h GLN 201 CO -0.06 0.94 -0.31 1.28 -1.93 0.00 0.00 178.83 178.75 1ur3 n LEU 202 N -4.30 0.55 -1.76 -2.39 4.77 -0.37 -4.94 117.00 108.56 1ur3 n LEU 202 Ca 0.06 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1ur3 n LEU 202 Cb 0.19 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1ur3 n LEU 202 CO 0.41 0.12 -0.04 0.54 -1.33 0.00 0.00 177.39 177.08 1ur3 n ARG 203 N -1.21 -2.43 -3.80 3.23 5.12 0.34 -4.73 116.66 113.18 1ur3 n ARG 203 Ca 0.09 0.55 -0.36 0.00 -1.93 0.00 0.00 57.85 56.20 1ur3 n ARG 203 Cb 0.33 -4.66 -0.11 0.00 -1.16 0.00 0.00 32.46 26.85 1ur3 n ARG 203 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ur3 s VAL 204 N -2.84 4.76 -0.14 1.55 1.01 -0.35 -4.24 120.40 120.15 1ur3 s VAL 204 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1ur3 s VAL 204 Cb -0.06 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1ur3 s VAL 204 CO 0.17 0.36 0.55 -0.13 0.00 0.00 0.00 175.10 176.04 1ur3 s ARG 205 N 1.19 4.30 0.00 2.72 3.00 0.15 -4.37 118.95 125.95 1ur3 s ARG 205 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 55.73 56.32 1ur3 s ARG 205 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 34.95 31.32 1ur3 s ARG 205 CO 0.04 0.01 0.00 -0.35 0.00 0.00 0.00 175.30 175.00 1ur3 n PRO 206 N 4.15 3.64 -3.61 3.54 -0.04 -1.26 -4.47 135.00 136.95 1ur3 n PRO 206 Ca -0.05 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ur3 n PRO 206 Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 1ur3 n PRO 206 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ur3 s ALA 208 N -3.87 -2.47 -0.04 0.55 0.00 0.59 0.50 121.76 117.02 1ur3 s ALA 208 Ca 0.00 2.11 0.04 0.00 0.00 0.00 0.00 51.96 54.11 1ur3 s ALA 208 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1ur3 s ALA 208 CO 0.00 -0.41 -0.15 1.67 0.00 0.00 0.00 175.76 176.88 1ur3 s TRP 209 N 1.36 2.69 -0.21 0.00 1.48 -0.62 0.52 118.94 124.16 1ur3 s TRP 209 Ca -0.08 -0.17 -0.02 0.00 -1.06 0.00 0.00 56.10 54.77 1ur3 s TRP 209 Cb -0.03 -1.61 0.06 0.00 -1.16 0.00 0.00 33.47 30.73 1ur3 s TRP 209 CO -0.14 0.19 0.02 -1.54 -4.06 0.00 0.00 176.95 171.43 1ur3 s SER 210 N -0.82 3.25 -0.83 -2.66 1.04 -1.26 -2.83 113.70 109.58 1ur3 s SER 210 Ca 0.12 -0.98 -0.21 0.00 0.48 0.00 0.00 55.95 55.36 1ur3 s SER 210 Cb -0.11 -0.77 -0.18 0.00 0.10 0.00 0.00 66.02 65.06 1ur3 s SER 210 CO 0.01 -0.29 1.97 0.00 0.98 0.00 0.00 173.24 175.91 1ur3 n LEU 212 N 16.17 0.41 0.00 0.00 4.32 -1.26 -4.21 117.00 132.42 1ur3 n LEU 212 Ca 0.36 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.66 1ur3 n LEU 212 Cb 0.45 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1ur3 n LEU 212 CO 0.59 -0.41 0.04 0.61 -1.22 0.00 0.00 177.39 177.01 1ur3 n GLY 213 N 1.99 0.00 0.18 -0.72 0.00 -1.26 -2.50 105.19 102.87 1ur3 n GLY 213 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1ur3 n GLY 213 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ur3 h GLY 214 N 0.00 0.00 -0.42 -0.02 0.00 -1.94 -3.47 103.07 97.22 1ur3 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ur3 h GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ur3 n GLY 215 N 0.66 0.89 2.10 4.60 0.00 -1.04 -4.94 105.19 107.46 1ur3 n GLY 215 Ca 0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 1ur3 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur3 n ARG 216 N -0.64 2.53 -3.58 1.61 5.12 -1.26 -4.50 116.66 115.93 1ur3 n ARG 216 Ca 0.00 -1.39 -0.06 0.00 -1.93 0.00 0.00 57.85 54.47 1ur3 n ARG 216 Cb 0.37 -2.25 -0.02 0.00 -1.16 0.00 0.00 32.46 29.41 1ur3 n ARG 216 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ur3 s LEU 217 N 0.01 -0.26 0.00 0.55 1.43 -1.26 -4.92 118.68 114.22 1ur3 s LEU 217 Ca 0.68 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1ur3 s LEU 217 Cb 0.28 1.89 0.00 0.00 0.03 0.00 0.00 46.19 48.39 1ur3 s LEU 217 CO -0.02 -0.59 0.00 0.49 0.23 0.00 0.00 176.35 176.46 1ur3 n PHE 218 N -0.29 0.00 -2.71 0.29 3.01 -1.26 -4.58 117.46 111.92 1ur3 n PHE 218 Ca -0.07 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.34 1ur3 n PHE 218 Cb 0.61 -0.68 0.07 0.00 -0.01 0.00 0.00 39.48 39.47 1ur3 n PHE 218 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ur3 n ASN 219 N 0.00 0.41 0.00 4.37 3.02 -1.26 -4.89 115.26 116.91 1ur3 n ASN 219 Ca 0.00 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1ur3 n ASN 219 Cb 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1ur3 n ASN 219 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ur3 n ASP 220 N -0.47 0.00 0.00 6.41 2.03 -1.26 -5.01 116.55 118.25 1ur3 n ASP 220 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1ur3 n ASP 220 Cb 0.83 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1ur3 n ASP 220 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ur3 n ASP 221 N 0.00 0.00 0.24 1.67 10.43 -1.26 -1.51 116.55 126.12 1ur3 n ASP 221 Ca 0.00 0.05 0.06 0.00 2.57 0.00 0.00 54.79 57.47 1ur3 n ASP 221 Cb 0.00 -0.05 0.56 0.00 1.84 0.00 0.00 41.12 43.47 1ur3 n ASP 221 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1ur3 h TYR 222 N 0.00 0.00 -0.62 1.24 3.20 -1.99 -2.46 116.97 116.33 1ur3 h TYR 222 Ca 0.00 0.00 -0.41 0.00 3.14 0.00 0.00 58.73 61.46 1ur3 h TYR 222 Cb 0.09 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.10 1ur3 h TYR 222 CO 0.00 0.12 -0.17 1.19 -1.64 0.00 0.00 178.16 177.66 1ur3 n PHE 223 N -4.37 2.10 -0.06 -3.82 0.99 -0.57 -4.59 117.46 107.14 1ur3 n PHE 223 Ca -0.03 -2.11 -0.15 0.00 -0.00 0.00 0.00 57.45 55.16 1ur3 n PHE 223 Cb 0.19 -0.62 -0.06 0.00 -1.00 0.00 0.00 39.48 37.98 1ur3 n PHE 223 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1ur3 h GLN 224 N 1.62 0.64 -0.34 -1.08 4.15 -1.63 -1.65 115.11 116.82 1ur3 h GLN 224 Ca 0.35 -0.43 0.08 0.00 0.77 0.00 0.00 58.65 59.43 1ur3 h GLN 224 Cb 1.45 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.18 1ur3 h GLN 224 CO 0.76 1.05 0.24 -1.35 -1.93 0.00 0.00 178.83 177.60 1ur3 h PRO 225 N 0.33 0.08 0.02 -2.39 0.11 -1.81 0.43 132.00 128.77 1ur3 h PRO 225 Ca 0.00 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.89 1ur3 h PRO 225 Cb 1.04 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1ur3 h PRO 225 CO 0.10 0.05 -1.05 1.25 -0.21 0.00 0.00 178.00 178.14 1ur3 h LEU 226 N 0.08 0.05 0.04 2.35 5.85 -1.66 -2.26 115.31 119.76 1ur3 h LEU 226 Ca 0.16 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ur3 h LEU 226 Cb 0.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ur3 h LEU 226 CO -0.01 1.04 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.02 1ur3 h ARG 227 N 0.01 -0.05 -0.32 1.25 2.43 0.40 0.66 114.38 118.75 1ur3 h ARG 227 Ca -0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1ur3 h ARG 227 Cb 1.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 1ur3 h ARG 227 CO 0.14 0.17 0.05 -0.44 -1.51 0.00 0.00 179.97 178.38 1ur3 h ASP 228 N -0.27 0.43 0.36 -3.80 3.45 -0.35 -1.91 116.42 114.34 1ur3 h ASP 228 Ca -0.01 -0.06 -0.30 0.00 0.43 0.00 0.00 57.03 57.09 1ur3 h ASP 228 Cb 0.25 -0.11 0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1ur3 h ASP 228 CO 0.01 0.46 -1.31 -0.33 -1.57 0.00 0.00 179.24 176.50 1ur3 h GLU 229 N 0.46 0.46 0.00 3.56 4.39 -1.20 -2.84 114.58 119.42 1ur3 h GLU 229 Ca 0.11 -0.72 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 1ur3 h GLU 229 Cb 0.22 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ur3 h GLU 229 CO 0.00 1.33 -0.10 -0.07 -1.16 0.00 0.00 179.01 179.01 1ur3 h LEU 230 N 0.16 0.00 -0.00 1.33 3.38 -0.72 -2.26 115.31 117.20 1ur3 h LEU 230 Ca -0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1ur3 h LEU 230 Cb 2.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.76 1ur3 h LEU 230 CO 0.24 0.10 -0.36 0.00 0.09 0.00 0.00 178.44 178.50 1ur3 h ALA 231 N 1.90 0.05 -0.14 1.53 0.00 -1.29 -2.72 119.26 118.59 1ur3 h ALA 231 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1ur3 h ALA 231 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ur3 h ALA 231 CO 0.01 0.17 -0.13 0.28 0.00 0.00 0.00 179.25 179.59 1ur3 h VAL 232 N -0.37 1.34 -0.68 0.00 2.07 -1.39 -2.95 116.25 114.27 1ur3 h VAL 232 Ca -0.04 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 66.29 1ur3 h VAL 232 Cb 1.10 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 1ur3 h VAL 232 CO 0.07 0.37 0.45 0.58 0.02 0.00 0.00 177.57 179.06 1ur3 h VAL 233 N -0.04 0.96 -0.54 2.57 2.07 -1.54 -0.86 116.25 118.88 1ur3 h VAL 233 Ca 0.02 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ur3 h VAL 233 Cb 0.65 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1ur3 h VAL 233 CO 0.03 0.11 0.35 0.00 0.02 0.00 0.00 177.57 178.08 1ur3 h ALA 234 N 1.64 0.69 -0.50 1.67 0.00 -1.32 -0.58 119.26 120.87 1ur3 h ALA 234 Ca 0.31 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1ur3 h ALA 234 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ur3 h ALA 234 CO -0.10 0.10 -0.20 0.93 0.00 0.00 0.00 179.25 179.98 1ur3 h GLU 235 N 0.70 1.01 -1.00 0.00 4.39 -1.05 0.11 114.58 118.74 1ur3 h GLU 235 Ca 0.21 -0.42 0.05 0.00 0.34 0.00 0.00 59.36 59.53 1ur3 h GLU 235 Cb -0.05 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 1ur3 h GLU 235 CO -0.06 1.10 0.65 0.93 -1.16 0.00 0.00 179.01 180.47 1ur3 h GLU 236 N 0.87 1.19 -0.01 2.33 5.08 -0.78 0.44 114.58 123.69 1ur3 h GLU 236 Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ur3 h GLU 236 Cb 0.78 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ur3 h GLU 236 CO 0.06 0.79 -0.09 1.28 -1.00 0.00 0.00 179.01 180.05 1ur3 n LEU 237 N -4.46 1.44 -4.06 1.33 4.77 -0.26 -4.93 117.00 110.83 1ur3 n LEU 237 Ca 0.14 -0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 1ur3 n LEU 237 Cb 0.12 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1ur3 n LEU 237 CO 0.34 0.25 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.26 1ur3 n ASN 238 N -0.02 -1.15 -4.89 -1.43 2.85 0.19 -4.92 115.26 105.89 1ur3 n ASN 238 Ca 0.16 -1.03 -0.30 0.00 -0.11 0.00 0.00 54.58 53.31 1ur3 n ASN 238 Cb 0.37 -2.86 0.03 0.00 1.24 0.00 0.00 39.78 38.56 1ur3 n ASN 238 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ur3 s ALA 239 N -3.79 3.09 0.27 5.20 0.00 -0.16 -5.00 121.76 121.37 1ur3 s ALA 239 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1ur3 s ALA 239 Cb -0.12 -2.93 0.38 0.00 0.00 0.00 0.00 23.12 20.45 1ur3 s ALA 239 CO 0.91 -0.84 1.74 0.78 0.00 0.00 0.00 175.76 178.34 1ur3 h GLY 240 N -0.37 0.67 -2.85 0.00 0.00 -1.91 -3.46 103.07 95.15 1ur3 h GLY 240 Ca -0.45 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 46.46 1ur3 h GLY 240 CO 0.62 0.46 0.36 -1.35 0.00 0.00 0.00 176.54 176.63 1ur3 s SER 241 N -6.74 -0.38 0.50 0.19 1.04 -1.26 -5.01 113.70 102.03 1ur3 s SER 241 Ca -0.08 -0.16 0.24 0.00 0.48 0.00 0.00 55.95 56.42 1ur3 s SER 241 Cb 0.14 0.53 1.33 0.00 0.10 0.00 0.00 66.02 68.12 1ur3 s SER 241 CO 0.80 -0.90 2.05 0.16 0.98 0.00 0.00 173.24 176.33 1ur3 h ILE 242 N 2.00 0.73 -0.20 -1.02 3.07 -1.91 -0.07 117.51 120.10 1ur3 h ILE 242 Ca -0.26 -0.56 -0.10 0.00 1.55 0.00 0.00 64.86 65.49 1ur3 h ILE 242 Cb 1.26 1.34 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 1ur3 h ILE 242 CO 0.31 0.14 -0.29 -0.08 -1.05 0.00 0.00 178.15 177.18 1ur3 h GLU 243 N 0.00 0.40 -0.18 0.16 4.81 -1.95 -1.75 114.58 116.06 1ur3 h GLU 243 Ca -0.00 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 1ur3 h GLU 243 Cb 0.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1ur3 h GLU 243 CO 0.02 0.65 -0.42 0.37 -0.73 0.00 0.00 179.01 178.90 1ur3 h GLN 244 N 0.35 0.44 -0.22 1.92 4.15 -1.35 -1.81 115.11 118.59 1ur3 h GLN 244 Ca 0.05 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.14 1ur3 h GLN 244 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1ur3 h GLN 244 CO 0.05 0.78 -0.30 0.28 -1.93 0.00 0.00 178.83 177.71 1ur3 h VAL 245 N 0.36 1.28 -0.14 2.39 2.07 -0.99 -2.61 116.25 118.60 1ur3 h VAL 245 Ca 0.03 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 1ur3 h VAL 245 Cb 0.89 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ur3 h VAL 245 CO 0.08 0.42 -0.05 0.58 0.02 0.00 0.00 177.57 178.61 1ur3 h VAL 246 N 0.38 1.30 -0.71 2.57 2.07 -0.91 -1.85 116.25 119.09 1ur3 h VAL 246 Ca 0.05 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1ur3 h VAL 246 Cb 0.72 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1ur3 h VAL 246 CO 0.06 0.31 0.47 0.78 0.02 0.00 0.00 177.57 179.20 1ur3 h ASN 247 N -0.04 0.69 1.14 0.57 2.35 -1.27 -1.57 115.58 117.46 1ur3 h ASN 247 Ca 0.03 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1ur3 h ASN 247 Cb 0.50 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1ur3 h ASN 247 CO 0.02 0.46 -0.42 0.00 -1.65 0.00 0.00 177.43 175.84 1ur3 h ALA 248 N 1.60 0.85 -0.53 -0.83 0.00 -1.35 -1.88 119.26 117.12 1ur3 h ALA 248 Ca 0.30 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1ur3 h ALA 248 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ur3 h ALA 248 CO -0.09 0.52 -0.14 2.35 0.00 0.00 0.00 179.25 181.89 1ur3 h TRP 249 N 0.00 1.16 -0.11 0.00 7.01 -0.43 -2.49 115.95 121.09 1ur3 h TRP 249 Ca -0.00 -0.25 -0.09 0.00 2.11 0.00 0.00 58.89 60.66 1ur3 h TRP 249 Cb 1.10 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1ur3 h TRP 249 CO 0.00 1.08 -0.27 0.28 -2.79 0.00 0.00 178.44 176.74 1ur3 h VAL 250 N 0.90 1.39 -0.25 2.65 2.07 -1.38 -3.15 116.25 118.48 1ur3 h VAL 250 Ca 0.13 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.15 1ur3 h VAL 250 Cb 0.72 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1ur3 h VAL 250 CO 0.06 0.46 0.25 -0.07 0.02 0.00 0.00 177.57 178.28 1ur3 h LEU 251 N -0.06 0.00 -0.80 2.57 3.38 -1.24 -1.65 115.31 117.51 1ur3 h LEU 251 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ur3 h LEU 251 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ur3 h LEU 251 CO 0.06 0.00 -0.26 -0.09 0.09 0.00 0.00 178.44 178.24 1ur3 h ARG 252 N 0.00 0.00 -6.41 1.13 9.65 -1.40 -3.45 114.38 113.90 1ur3 h ARG 252 Ca 0.12 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.37 1ur3 h ARG 252 Cb 0.61 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 29.27 1ur3 h ARG 252 CO -0.00 0.26 0.41 1.28 2.80 0.00 0.00 179.97 184.72 1ur3 n LEU 253 N -3.32 2.07 0.32 3.80 4.77 -0.62 -4.83 117.00 119.19 1ur3 n LEU 253 Ca 0.01 1.14 0.20 0.00 -0.03 0.00 0.00 56.01 57.32 1ur3 n LEU 253 Cb 0.50 -1.29 1.04 0.00 -2.33 0.00 0.00 43.42 41.34 1ur3 n LEU 253 CO 0.35 -0.99 1.16 1.55 -1.33 0.00 0.00 177.39 178.13 1ur3 h PRO 254 N 3.86 0.00 0.00 3.23 0.13 -1.90 -0.24 132.00 137.08 1ur3 h PRO 254 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ur3 h PRO 254 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ur3 h PRO 254 CO 0.73 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.37 1ur3 n SER 255 N -3.12 0.00 -3.49 1.44 3.41 -1.26 -4.94 113.62 105.66 1ur3 n SER 255 Ca -0.02 0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.58 1ur3 n SER 255 Cb 0.20 -0.39 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 1ur3 n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ur3 n GLN 256 N -1.39 -2.74 -1.59 4.33 1.13 -0.10 -4.46 117.38 112.56 1ur3 n GLN 256 Ca 0.09 0.69 -0.33 0.00 -1.94 0.00 0.00 57.00 55.51 1ur3 n GLN 256 Cb 0.24 -5.16 0.07 0.00 0.11 0.00 0.00 30.24 25.49 1ur3 n GLN 256 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1ur3 s PRO 257 N -5.28 2.53 -0.45 -1.09 0.04 -1.26 -4.49 135.00 125.01 1ur3 s PRO 257 Ca 0.34 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1ur3 s PRO 257 Cb -0.08 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1ur3 s PRO 257 CO 0.79 -1.46 0.35 -0.51 0.04 0.00 0.00 177.00 176.20 1ur3 s LEU 258 N -5.13 5.43 0.22 -3.56 1.43 0.18 -4.78 118.68 112.46 1ur3 s LEU 258 Ca 0.67 -1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 1ur3 s LEU 258 Cb -0.22 -2.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 1ur3 s LEU 258 CO 0.45 -0.59 1.45 -2.16 0.23 0.00 0.00 176.35 175.73 1ur3 s PRO 259 N 1.59 4.27 -0.13 1.29 0.04 -1.20 -0.30 135.00 140.57 1ur3 s PRO 259 Ca 0.04 2.27 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 1ur3 s PRO 259 Cb -0.23 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1ur3 s PRO 259 CO 0.06 -0.45 0.32 0.42 0.04 0.00 0.00 177.00 177.40 1ur3 s ILE 260 N 0.33 5.26 -0.19 0.56 1.01 0.19 -2.15 121.20 126.21 1ur3 s ILE 260 Ca 0.62 0.62 -0.08 0.00 0.00 0.00 0.00 60.65 61.81 1ur3 s ILE 260 Cb -0.41 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1ur3 s ILE 260 CO 0.39 0.43 0.08 -0.63 0.00 0.00 0.00 174.94 175.21 1ur3 s ILE 261 N 0.14 4.98 -0.68 2.92 1.01 0.09 -4.54 121.20 125.11 1ur3 s ILE 261 Ca 0.19 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1ur3 s ILE 261 Cb -0.14 -3.25 0.17 0.00 0.01 0.00 0.00 42.46 39.25 1ur3 s ILE 261 CO 0.06 0.46 0.49 -0.83 0.00 0.00 0.00 174.94 175.11 1ur3 s GLY 262 N 0.36 2.75 0.15 6.18 0.00 -1.26 -0.41 107.32 115.08 1ur3 s GLY 262 Ca 0.05 -3.57 -0.10 0.00 0.00 0.00 0.00 44.72 41.10 1ur3 s GLY 262 CO -0.01 1.09 0.30 -1.35 0.00 0.00 0.00 173.10 173.13 1ur3 s SER 263 N -0.36 0.01 -0.05 1.64 1.04 -1.26 -4.63 113.70 110.08 1ur3 s SER 263 Ca 0.22 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 55.96 1ur3 s SER 263 Cb -0.14 0.44 0.20 0.00 0.10 0.00 0.00 66.02 66.61 1ur3 s SER 263 CO -0.08 -0.88 1.14 0.61 0.98 0.00 0.00 173.24 175.00 1ur3 n GLY 264 N -0.20 3.57 2.92 7.32 0.00 -1.26 -4.96 105.19 112.57 1ur3 n GLY 264 Ca -0.09 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1ur3 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ur3 s LYS 265 N -1.70 1.58 0.45 1.61 1.02 -1.26 -5.01 119.74 116.42 1ur3 s LYS 265 Ca 0.18 -0.28 0.23 0.00 0.02 0.00 0.00 55.97 56.11 1ur3 s LYS 265 Cb 0.14 -1.59 1.22 0.00 -0.52 0.00 0.00 37.83 37.07 1ur3 s LYS 265 CO 0.05 -0.24 1.83 0.97 -0.92 0.00 0.00 175.35 177.04 1ur3 h ILE 266 N 6.15 0.57 -0.60 2.17 6.09 -1.93 0.10 117.51 130.07 1ur3 h ILE 266 Ca -0.30 -0.10 -0.05 0.00 -1.37 0.00 0.00 64.86 63.04 1ur3 h ILE 266 Cb 1.14 0.26 -0.03 0.00 0.47 0.00 0.00 36.82 38.66 1ur3 h ILE 266 CO 0.42 0.05 0.17 1.05 -3.07 0.00 0.00 178.15 176.78 1ur3 h GLU 267 N 0.28 0.94 -0.02 2.19 9.09 -1.98 0.63 114.58 125.71 1ur3 h GLU 267 Ca 0.52 -0.21 -0.16 0.00 0.05 0.00 0.00 59.36 59.56 1ur3 h GLU 267 Cb 1.51 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1ur3 h GLU 267 CO -0.17 0.85 -0.71 -0.09 0.05 0.00 0.00 179.01 178.93 1ur3 h ARG 268 N 0.86 0.15 -0.67 1.06 2.43 -1.53 -1.14 114.38 115.54 1ur3 h ARG 268 Ca 0.19 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1ur3 h ARG 268 Cb 0.31 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1ur3 h ARG 268 CO -0.00 0.80 0.16 0.28 -1.51 0.00 0.00 179.97 179.69 1ur3 h VAL 269 N 0.10 1.26 0.01 0.20 2.07 -0.46 0.27 116.25 119.69 1ur3 h VAL 269 Ca -0.02 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1ur3 h VAL 269 Cb 1.27 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1ur3 h VAL 269 CO 0.10 0.36 -0.01 -0.09 0.02 0.00 0.00 177.57 177.96 1ur3 h ARG 270 N 1.00 -0.02 -0.74 1.57 2.43 0.55 -2.04 114.38 117.12 1ur3 h ARG 270 Ca 0.21 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1ur3 h ARG 270 Cb 0.37 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1ur3 h ARG 270 CO 0.00 0.10 0.49 0.00 -1.51 0.00 0.00 179.97 179.06 1ur3 h ALA 271 N 0.85 1.82 -0.04 2.80 0.00 -0.92 -0.86 119.26 122.92 1ur3 h ALA 271 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ur3 h ALA 271 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ur3 h ALA 271 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1ur3 h ALA 272 N 1.62 0.06 0.00 0.00 0.00 -0.53 -2.58 119.26 117.83 1ur3 h ALA 272 Ca 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ur3 h ALA 272 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ur3 h ALA 272 CO -0.12 -0.29 -0.03 0.28 0.00 0.00 0.00 179.25 179.09 1ur3 h VAL 273 N -0.20 0.16 0.00 0.00 2.07 -0.69 -1.56 116.25 116.03 1ur3 h VAL 273 Ca 0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ur3 h VAL 273 Cb 0.29 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ur3 h VAL 273 CO 0.00 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1ur3 n GLU 274 N -3.25 0.10 0.00 1.57 -0.58 -0.39 -2.71 120.64 115.38 1ur3 n GLU 274 Ca -0.02 0.18 0.08 0.00 -0.42 0.00 0.00 57.16 56.98 1ur3 n GLU 274 Cb 0.18 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.89 1ur3 n GLU 274 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ur3 n ALA 275 N -1.41 1.74 1.67 0.62 0.00 -0.59 -2.50 120.51 120.05 1ur3 n ALA 275 Ca 0.06 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1ur3 n ALA 275 Cb 0.17 -1.25 0.80 0.00 0.00 0.00 0.00 19.45 19.16 1ur3 n ALA 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ur3 n GLU 276 N -1.46 0.82 -0.03 0.00 1.02 -1.10 -3.26 120.64 116.64 1ur3 n GLU 276 Ca 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1ur3 n GLU 276 Cb 0.17 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1ur3 n GLU 276 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ur3 n THR 277 N -1.02 1.05 -3.27 2.62 -2.24 -1.04 -4.98 114.28 105.40 1ur3 n THR 277 Ca 0.20 -1.07 -0.38 0.00 -2.27 0.00 0.00 64.05 60.53 1ur3 n THR 277 Cb 0.10 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1ur3 n THR 277 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ur3 s LEU 278 N -1.11 4.25 0.31 3.22 1.43 -1.20 -5.17 118.68 120.41 1ur3 s LEU 278 Ca 0.05 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1ur3 s LEU 278 Cb 0.03 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1ur3 s LEU 278 CO 0.02 -0.06 0.52 -0.54 0.23 0.00 0.00 176.35 176.53 1ur3 s LYS 279 N 0.89 3.52 0.02 1.70 3.01 -1.26 -5.08 119.74 122.54 1ur3 s LYS 279 Ca 0.27 -0.27 -0.08 0.00 -1.01 0.00 0.00 55.97 54.88 1ur3 s LYS 279 Cb -0.15 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 33.98 1ur3 s LYS 279 CO 0.11 0.21 0.16 0.95 0.51 0.00 0.00 175.35 177.28 1ur3 s THR 281 N -2.19 0.10 0.26 2.17 -4.23 -1.26 -5.06 115.64 105.43 1ur3 s THR 281 Ca 0.40 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1ur3 s THR 281 Cb -0.10 -0.66 0.24 0.00 1.34 0.00 0.00 72.50 73.33 1ur3 s THR 281 CO 0.34 -0.44 1.75 0.03 -0.54 0.00 0.00 174.62 175.76 1ur3 h ARG 282 N 3.91 0.56 -0.81 3.99 3.08 -2.05 0.33 114.38 123.40 1ur3 h ARG 282 Ca -0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1ur3 h ARG 282 Cb 1.19 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1ur3 h ARG 282 CO 0.44 0.37 0.52 0.37 -1.07 0.00 0.00 179.97 180.60 1ur3 h GLN 283 N 0.58 1.07 0.00 0.04 4.15 -2.02 -0.46 115.11 118.48 1ur3 h GLN 283 Ca 0.47 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.68 1ur3 h GLN 283 Cb 0.69 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1ur3 h GLN 283 CO -0.38 0.73 -0.63 1.96 -1.93 0.00 0.00 178.83 178.58 1ur3 h GLN 284 N 1.10 0.00 0.05 1.69 4.20 -0.88 -1.50 115.11 119.76 1ur3 h GLN 284 Ca 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ur3 h GLN 284 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1ur3 h GLN 284 CO -0.06 0.63 -0.02 2.35 -0.67 0.00 0.00 178.83 181.05 1ur3 h TRP 285 N 0.00 -0.06 -0.75 2.96 7.01 0.07 -2.54 115.95 122.65 1ur3 h TRP 285 Ca -0.01 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 1ur3 h TRP 285 Cb 1.14 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 1ur3 h TRP 285 CO 0.00 0.36 0.27 0.74 -2.79 0.00 0.00 178.44 177.02 1ur3 h PHE 286 N -0.49 1.16 -0.84 2.65 -1.00 -1.12 -0.16 116.94 117.14 1ur3 h PHE 286 Ca -0.01 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 1ur3 h PHE 286 Cb 0.44 -0.34 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 1ur3 h PHE 286 CO 0.07 0.89 0.43 0.00 -1.61 0.00 0.00 178.31 178.09 1ur3 h ARG 287 N 1.10 1.19 0.68 1.51 3.08 -1.30 0.62 114.38 121.25 1ur3 h ARG 287 Ca 0.25 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1ur3 h ARG 287 Cb 0.25 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ur3 h ARG 287 CO -0.02 0.90 -0.33 0.82 -1.07 0.00 0.00 179.97 180.27 1ur3 h ILE 288 N 1.18 0.00 -0.84 2.04 2.04 -1.13 -2.54 117.51 118.26 1ur3 h ILE 288 Ca 0.29 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1ur3 h ILE 288 Cb 0.08 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.03 1ur3 h ILE 288 CO -0.04 0.00 -0.47 -0.09 0.00 0.00 0.00 178.15 177.55 1ur3 h ARG 289 N -1.11 -0.09 -0.81 2.37 2.43 -0.78 -1.10 114.38 115.29 1ur3 h ARG 289 Ca -0.09 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1ur3 h ARG 289 Cb 0.70 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 1ur3 h ARG 289 CO 0.15 -0.06 0.53 -0.22 -1.51 0.00 0.00 179.97 178.87 1ur3 h LYS 290 N -0.09 0.77 -0.17 0.20 3.64 0.24 -2.05 116.57 119.10 1ur3 h LYS 290 Ca 0.23 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1ur3 h LYS 290 Cb 0.53 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ur3 h LYS 290 CO -0.86 0.51 -0.24 0.00 -2.27 0.00 0.00 179.45 176.59 1ur3 h ALA 291 N 1.58 1.29 -0.34 5.00 0.00 -0.75 0.71 119.26 126.75 1ur3 h ALA 291 Ca 0.37 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1ur3 h ALA 291 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ur3 h ALA 291 CO -0.14 0.48 -0.33 0.00 0.00 0.00 0.00 179.25 179.26 1ur3 h ALA 292 N 1.48 0.78 -0.83 0.00 0.00 -1.14 -3.36 119.26 116.20 1ur3 h ALA 292 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ur3 h ALA 292 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ur3 h ALA 292 CO 0.04 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.22 1ur3 n LEU 293 N -4.07 0.78 0.00 0.00 4.32 -0.96 -4.98 117.00 112.09 1ur3 n LEU 293 Ca -0.01 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 1ur3 n LEU 293 Cb 0.49 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1ur3 n LEU 293 CO 0.46 -0.36 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1ur3 n GLY 294 N 2.12 0.25 3.53 -0.72 0.00 0.24 -5.10 105.19 105.51 1ur3 n GLY 294 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ur3 n GLY 294 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ur3 s TYR 295 N -1.05 -0.01 0.00 1.61 -0.85 -1.23 -5.04 117.35 110.78 1ur3 s TYR 295 Ca 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.20 1ur3 s TYR 295 Cb 0.00 0.34 0.00 0.00 0.38 0.00 0.00 41.96 42.68 1ur3 s TYR 295 CO 0.00 -0.92 0.00 -0.25 -1.52 0.00 0.00 175.55 172.86 1ur3 n ASP 296 N -0.34 0.00 -2.31 -0.18 8.00 -1.26 -4.70 116.55 115.76 1ur3 n ASP 296 Ca -0.08 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.39 1ur3 n ASP 296 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1ur3 n ASP 296 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ur3 n VAL 297 N 0.00 -6.85 0.00 2.53 0.31 -1.26 -5.09 118.33 107.97 1ur3 n VAL 297 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1ur3 n VAL 297 Cb 0.00 -5.73 0.00 0.00 -0.91 0.00 0.00 33.84 27.20 1ur3 n VAL 297 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70