#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ur1 h LEU 27 N 0.00 0.44 -1.53 0.99 3.38 -1.77 -1.64 115.31 115.18 1ur1 h LEU 27 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1ur1 h LEU 27 Cb 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1ur1 h LEU 27 CO 0.00 0.32 0.43 0.07 0.09 0.00 0.00 178.44 179.35 1ur1 h LYS 28 N 0.55 0.53 0.20 1.13 2.10 -1.20 -1.30 116.57 118.57 1ur1 h LYS 28 Ca 0.18 -0.03 -0.26 0.00 -2.00 0.00 0.00 60.65 58.54 1ur1 h LYS 28 Cb 0.01 -0.12 0.03 0.00 -0.90 0.00 0.00 32.23 31.25 1ur1 h LYS 28 CO -0.08 0.35 -1.16 0.77 -2.00 0.00 0.00 179.45 177.32 1ur1 h SER 29 N 0.54 0.65 -0.98 7.07 0.02 -1.71 -2.26 113.55 116.89 1ur1 h SER 29 Ca 0.30 -0.94 0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1ur1 h SER 29 Cb 0.45 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.70 1ur1 h SER 29 CO -0.09 1.56 0.62 0.00 -1.14 0.00 0.00 176.83 177.77 1ur1 h ALA 30 N 0.11 1.42 -0.60 3.77 0.00 -0.90 -2.39 119.26 120.67 1ur1 h ALA 30 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ur1 h ALA 30 Cb 1.90 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ur1 h ALA 30 CO 0.21 0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.41 1ur1 n TYR 31 N -4.59 1.32 -0.27 0.00 4.02 -0.53 -4.63 117.16 112.48 1ur1 n TYR 31 Ca 0.17 -0.53 0.06 0.00 -0.01 0.00 0.00 57.90 57.58 1ur1 n TYR 31 Cb 0.28 -0.21 0.20 0.00 -0.02 0.00 0.00 39.34 39.59 1ur1 n TYR 31 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ur1 h LYS 32 N 3.76 0.48 0.00 -0.72 3.64 -0.85 0.82 116.57 123.71 1ur1 h LYS 32 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ur1 h LYS 32 Cb 1.30 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ur1 h LYS 32 CO 0.19 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 177.44 1ur1 n ASP 33 N -4.96 0.00 -0.03 4.20 9.92 -1.26 -4.19 116.55 120.22 1ur1 n ASP 33 Ca 0.15 -0.79 -0.05 0.00 -0.53 0.00 0.00 54.79 53.57 1ur1 n ASP 33 Cb 0.43 -0.07 -0.02 0.00 -0.64 0.00 0.00 41.12 40.82 1ur1 n ASP 33 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1ur1 n ASN 34 N -1.07 1.59 -3.58 -2.24 3.02 0.21 -5.05 115.26 108.14 1ur1 n ASN 34 Ca 0.22 0.25 -0.05 0.00 -0.03 0.00 0.00 54.58 54.96 1ur1 n ASN 34 Cb 0.14 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 1ur1 n ASN 34 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ur1 s PHE 35 N -2.52 -0.20 0.60 3.10 -0.12 -0.73 -4.81 117.98 113.30 1ur1 s PHE 35 Ca -0.17 0.09 -0.19 0.00 -0.05 0.00 0.00 56.93 56.61 1ur1 s PHE 35 Cb 0.02 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1ur1 s PHE 35 CO 0.25 -0.42 1.23 -0.51 -0.05 0.00 0.00 175.22 175.72 1ur1 s LEU 36 N -2.48 3.66 -0.20 -1.99 1.43 -0.53 -4.51 118.68 114.07 1ur1 s LEU 36 Ca 0.09 2.44 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1ur1 s LEU 36 Cb -0.00 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.65 1ur1 s LEU 36 CO -0.05 -1.66 -0.17 -0.63 0.23 0.00 0.00 176.35 174.07 1ur1 s ILE 37 N -1.55 2.22 0.36 -0.59 -1.09 -1.26 -0.71 121.20 118.59 1ur1 s ILE 37 Ca 0.78 -1.03 0.07 0.00 -2.23 0.00 0.00 60.65 58.24 1ur1 s ILE 37 Cb -0.32 -2.01 -0.07 0.00 -1.58 0.00 0.00 42.46 38.48 1ur1 s ILE 37 CO 0.35 0.41 -0.02 -0.83 -1.23 0.00 0.00 174.94 173.62 1ur1 s GLY 38 N 1.27 2.27 -0.04 6.18 0.00 -0.03 -0.89 107.32 116.08 1ur1 s GLY 38 Ca 0.02 -2.16 -0.05 0.00 0.00 0.00 0.00 44.72 42.53 1ur1 s GLY 38 CO -0.10 -2.00 0.14 0.00 0.00 0.00 0.00 173.10 171.13 1ur1 s ALA 39 N -2.82 -0.33 0.09 3.20 0.00 -0.68 -0.91 121.76 120.31 1ur1 s ALA 39 Ca 0.34 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1ur1 s ALA 39 Cb 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 1ur1 s ALA 39 CO 0.16 -0.11 1.08 0.00 0.00 0.00 0.00 175.76 176.89 1ur1 s ALA 40 N -0.35 3.31 -0.14 0.00 0.00 -0.24 -2.07 121.76 122.27 1ur1 s ALA 40 Ca -0.04 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1ur1 s ALA 40 Cb -0.03 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1ur1 s ALA 40 CO 0.01 -0.25 -0.16 -0.51 0.00 0.00 0.00 175.76 174.85 1ur1 s LEU 41 N 0.41 2.48 1.00 0.00 1.43 0.23 -3.58 118.68 120.65 1ur1 s LEU 41 Ca 0.52 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1ur1 s LEU 41 Cb -0.26 -1.55 0.19 0.00 0.03 0.00 0.00 46.19 44.59 1ur1 s LEU 41 CO 0.31 0.12 1.17 0.54 0.23 0.00 0.00 176.35 178.72 1ur1 s ASN 42 N 0.63 2.70 0.36 2.29 2.20 -1.26 -1.56 114.94 120.31 1ur1 s ASN 42 Ca -0.09 0.71 0.12 0.00 -0.94 0.00 0.00 52.86 52.66 1ur1 s ASN 42 Cb -0.16 -1.07 0.69 0.00 -2.00 0.00 0.00 41.25 38.71 1ur1 s ASN 42 CO 0.03 -3.03 1.82 0.00 -2.94 0.00 0.00 177.10 172.98 1ur1 h ALA 43 N -1.83 1.36 -0.29 3.54 0.00 -1.98 -1.57 119.26 118.50 1ur1 h ALA 43 Ca -0.48 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.01 1ur1 h ALA 43 Cb 1.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ur1 h ALA 43 CO 0.49 0.47 -0.17 1.15 0.00 0.00 0.00 179.25 181.18 1ur1 h THR 44 N 0.04 1.30 -0.14 0.00 2.02 -2.00 -2.30 112.91 111.83 1ur1 h THR 44 Ca 0.00 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1ur1 h THR 44 Cb 0.65 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1ur1 h THR 44 CO 0.05 0.41 0.04 0.40 0.37 0.00 0.00 175.52 176.79 1ur1 h ILE 45 N 0.36 1.19 0.00 3.11 2.04 -1.89 -2.90 117.51 119.43 1ur1 h ILE 45 Ca 0.06 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ur1 h ILE 45 Cb 0.70 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1ur1 h ILE 45 CO 0.05 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1ur1 h ALA 46 N 0.85 1.00 0.00 1.87 0.00 -1.26 -2.20 119.26 119.51 1ur1 h ALA 46 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ur1 h ALA 46 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ur1 h ALA 46 CO -0.00 0.00 -0.03 0.66 0.00 0.00 0.00 179.25 179.88 1ur1 h SER 47 N 0.00 0.00 0.00 0.00 4.64 -1.19 -3.40 113.55 113.60 1ur1 h SER 47 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ur1 h SER 47 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ur1 h SER 47 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1ur1 n GLY 48 N -0.83 0.84 0.15 -0.77 0.00 -0.83 -4.92 105.19 98.83 1ur1 n GLY 48 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ur1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ur1 h ALA 49 N 0.00 1.00 -2.12 4.61 0.00 -1.79 -3.41 119.26 117.54 1ur1 h ALA 49 Ca 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.16 1ur1 h ALA 49 Cb 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 1ur1 h ALA 49 CO 0.00 0.00 -0.09 0.34 0.00 0.00 0.00 179.25 179.50 1ur1 s ASP 50 N -5.05 6.26 0.31 0.00 -1.08 -1.26 -4.92 116.67 110.92 1ur1 s ASP 50 Ca 0.09 -1.81 -0.01 0.00 -0.52 0.00 0.00 52.55 50.30 1ur1 s ASP 50 Cb 0.10 -2.23 0.49 0.00 -1.46 0.00 0.00 42.92 39.81 1ur1 s ASP 50 CO 0.60 -0.89 1.95 -0.08 0.52 0.00 0.00 175.17 177.27 1ur1 h GLU 51 N 8.84 0.95 -0.43 4.34 4.22 -2.00 -0.18 114.58 130.32 1ur1 h GLU 51 Ca -0.25 -0.09 -0.10 0.00 0.08 0.00 0.00 59.36 59.01 1ur1 h GLU 51 Cb 1.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1ur1 h GLU 51 CO 1.02 0.68 -0.10 0.00 -2.18 0.00 0.00 179.01 178.43 1ur1 h ARG 52 N 0.97 0.83 -0.11 1.92 3.08 -1.98 -1.62 114.38 117.47 1ur1 h ARG 52 Ca 0.25 -0.32 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1ur1 h ARG 52 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1ur1 h ARG 52 CO -0.05 0.94 -0.50 -0.07 -1.07 0.00 0.00 179.97 179.23 1ur1 h LEU 53 N 0.66 0.30 -0.78 3.04 3.38 -1.87 -1.51 115.31 118.54 1ur1 h LEU 53 Ca 0.11 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ur1 h LEU 53 Cb 0.64 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1ur1 h LEU 53 CO 0.04 0.75 0.50 0.78 0.09 0.00 0.00 178.44 180.61 1ur1 h ASN 54 N 0.22 0.85 0.04 -0.43 2.35 -0.71 0.13 115.58 118.03 1ur1 h ASN 54 Ca 0.01 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ur1 h ASN 54 Cb 0.95 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1ur1 h ASN 54 CO 0.08 0.60 -0.02 0.74 -1.65 0.00 0.00 177.43 177.17 1ur1 h THR 55 N 1.00 1.14 -0.10 2.81 2.02 -1.14 -2.06 112.91 116.58 1ur1 h THR 55 Ca 0.30 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1ur1 h THR 55 Cb -0.04 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1ur1 h THR 55 CO -0.09 0.15 -0.01 0.25 0.37 0.00 0.00 175.52 176.19 1ur1 h LEU 56 N -0.32 -0.06 -0.53 2.58 6.46 -1.01 -2.36 115.31 120.07 1ur1 h LEU 56 Ca -0.01 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1ur1 h LEU 56 Cb 0.29 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1ur1 h LEU 56 CO 0.01 -0.02 0.26 0.40 -0.62 0.00 0.00 178.44 178.47 1ur1 h ILE 57 N 0.02 1.19 -0.27 4.05 2.04 -0.74 -0.29 117.51 123.52 1ur1 h ILE 57 Ca 0.05 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1ur1 h ILE 57 Cb 0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1ur1 h ILE 57 CO -0.09 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.34 1ur1 h ALA 58 N 1.10 1.62 -0.07 1.87 0.00 -1.23 -1.06 119.26 121.48 1ur1 h ALA 58 Ca 0.18 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1ur1 h ALA 58 Cb 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ur1 h ALA 58 CO -0.02 0.29 -0.79 -0.22 0.00 0.00 0.00 179.25 178.51 1ur1 h LYS 59 N 0.38 0.67 0.01 0.00 3.64 -0.98 -3.41 116.57 116.87 1ur1 h LYS 59 Ca 0.09 -0.62 -0.37 0.00 -1.27 0.00 0.00 60.65 58.48 1ur1 h LYS 59 Cb 0.15 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1ur1 h LYS 59 CO -0.00 1.23 -2.34 0.39 -2.27 0.00 0.00 179.45 176.45 1ur1 n GLU 60 N -4.00 0.67 -5.10 1.90 -0.58 -0.16 -3.97 120.64 109.41 1ur1 n GLU 60 Ca -0.09 0.09 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1ur1 n GLU 60 Cb 0.76 -1.55 -0.16 0.00 -0.57 0.00 0.00 31.44 29.92 1ur1 n GLU 60 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1ur1 s PHE 61 N -2.51 2.11 -0.27 -0.32 0.08 -0.43 -0.81 117.98 115.82 1ur1 s PHE 61 Ca -0.20 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.49 1ur1 s PHE 61 Cb 0.07 -1.34 0.10 0.00 -0.57 0.00 0.00 43.02 41.28 1ur1 s PHE 61 CO 0.74 -0.01 1.08 0.27 -0.10 0.00 0.00 175.22 177.20 1ur1 n ASN 62 N 2.36 2.29 -3.89 1.36 0.23 -0.07 -4.66 115.26 112.89 1ur1 n ASN 62 Ca -0.16 -2.03 -0.11 0.00 -0.53 0.00 0.00 54.58 51.75 1ur1 n ASN 62 Cb 0.52 -0.08 -0.11 0.00 -2.08 0.00 0.00 39.78 38.03 1ur1 n ASN 62 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ur1 s SER 63 N -1.05 0.04 0.06 0.53 0.15 -1.11 -1.48 113.70 110.84 1ur1 s SER 63 Ca 0.08 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1ur1 s SER 63 Cb 0.04 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1ur1 s SER 63 CO 0.05 -0.26 -0.05 0.27 1.20 0.00 0.00 173.24 174.45 1ur1 s ILE 64 N -1.02 0.38 -0.01 6.45 -4.36 0.30 -1.69 121.20 121.26 1ur1 s ILE 64 Ca -0.11 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1ur1 s ILE 64 Cb -0.06 -1.18 -0.00 0.00 1.25 0.00 0.00 42.46 42.47 1ur1 s ILE 64 CO 0.01 -0.77 -0.07 -0.89 0.24 0.00 0.00 174.94 173.46 1ur1 s THR 65 N -2.96 0.53 -0.08 8.37 2.01 -0.88 -1.48 115.64 121.15 1ur1 s THR 65 Ca 0.01 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 1ur1 s THR 65 Cb 0.01 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1ur1 s THR 65 CO -0.05 0.16 1.10 -2.16 -0.69 0.00 0.00 174.62 172.97 1ur1 s PRO 66 N -0.07 4.39 0.25 4.92 0.04 -1.26 -0.60 135.00 142.67 1ur1 s PRO 66 Ca 0.01 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 1ur1 s PRO 66 Cb -0.04 -3.54 0.31 0.00 0.04 0.00 0.00 34.50 31.27 1ur1 s PRO 66 CO -0.00 -0.37 1.73 1.49 0.04 0.00 0.00 177.00 179.89 1ur1 h GLU 67 N 7.25 0.77 0.00 4.56 4.81 -1.61 -3.41 114.58 126.95 1ur1 h GLU 67 Ca -0.33 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1ur1 h GLU 67 Cb 1.16 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ur1 h GLU 67 CO 0.86 0.82 0.00 0.09 -0.73 0.00 0.00 179.01 180.05 1ur1 n ASN 68 N -4.19 0.00 0.12 1.04 3.02 -1.26 -4.97 115.26 109.02 1ur1 n ASN 68 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.69 1ur1 n ASN 68 Cb 0.33 0.00 0.46 0.00 -0.61 0.00 0.00 39.78 39.97 1ur1 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ur1 n MET 70 N -2.23 2.43 -2.34 0.00 2.81 -1.26 -3.88 117.12 112.65 1ur1 n MET 70 Ca 0.03 -2.24 -0.40 0.00 -1.81 0.00 0.00 57.70 53.29 1ur1 n MET 70 Cb 0.29 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1ur1 n MET 70 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ur1 s LYS 71 N -1.37 4.45 0.18 0.03 1.02 -0.79 -4.09 119.74 119.17 1ur1 s LYS 71 Ca 0.37 1.92 -0.18 0.00 0.02 0.00 0.00 55.97 58.10 1ur1 s LYS 71 Cb 0.21 -3.05 0.12 0.00 -0.52 0.00 0.00 37.83 34.59 1ur1 s LYS 71 CO 0.29 -0.00 1.64 2.35 -0.92 0.00 0.00 175.35 178.71 1ur1 h TRP 72 N 3.46 -0.44 0.00 3.18 2.91 -1.79 0.55 115.95 123.82 1ur1 h TRP 72 Ca -0.48 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1ur1 h TRP 72 Cb 1.22 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 30.13 1ur1 h TRP 72 CO 0.57 -0.26 0.00 0.41 -1.03 0.00 0.00 178.44 178.13 1ur1 n GLY 73 N -1.38 -1.15 0.13 2.65 0.00 0.12 -1.25 105.19 104.33 1ur1 n GLY 73 Ca 0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1ur1 n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ur1 n VAL 74 N -1.37 1.52 0.08 1.61 0.31 -0.36 -4.47 118.33 115.65 1ur1 n VAL 74 Ca 0.09 -0.48 -0.02 0.00 -0.01 0.00 0.00 64.34 63.93 1ur1 n VAL 74 Cb 0.22 -1.65 0.25 0.00 -0.91 0.00 0.00 33.84 31.74 1ur1 n VAL 74 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ur1 h LEU 75 N -0.47 0.31 -8.78 7.52 5.85 -0.90 -3.46 115.31 115.39 1ur1 h LEU 75 Ca -0.62 -0.11 -0.59 0.00 0.84 0.00 0.00 57.88 57.39 1ur1 h LEU 75 Cb 1.76 -0.09 -0.21 0.00 0.37 0.00 0.00 40.66 42.50 1ur1 h LEU 75 CO -0.24 0.62 -0.83 -0.13 -0.34 0.00 0.00 178.44 177.52 1ur1 s ARG 76 N -4.35 1.24 0.81 1.25 0.52 -0.38 -1.69 118.95 116.35 1ur1 s ARG 76 Ca -0.05 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 53.84 1ur1 s ARG 76 Cb 0.14 -1.54 0.16 0.00 0.52 0.00 0.00 34.95 34.23 1ur1 s ARG 76 CO 0.77 0.35 1.10 0.16 0.02 0.00 0.00 175.30 177.71 1ur1 s ASP 77 N -2.11 3.86 0.29 0.23 1.47 -0.16 -4.48 116.67 115.78 1ur1 s ASP 77 Ca 0.11 -0.32 0.25 0.00 1.18 0.00 0.00 52.55 53.76 1ur1 s ASP 77 Cb -0.09 0.11 1.04 0.00 -0.34 0.00 0.00 42.92 43.65 1ur1 s ASP 77 CO 0.05 -2.20 1.74 0.00 0.68 0.00 0.00 175.17 175.44 1ur1 h ALA 78 N -0.89 1.00 -0.27 2.11 0.00 -1.93 -0.69 119.26 118.60 1ur1 h ALA 78 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ur1 h ALA 78 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ur1 h ALA 78 CO 0.36 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.65 1ur1 n GLN 79 N -2.33 1.97 -0.80 0.00 6.02 -1.26 -4.84 117.38 116.14 1ur1 n GLN 79 Ca 0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 1ur1 n GLN 79 Cb 0.22 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1ur1 n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ur1 n GLY 80 N 1.23 0.67 3.78 1.08 0.00 -0.26 -5.03 105.19 106.66 1ur1 n GLY 80 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1ur1 n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ur1 s GLN 81 N -0.20 4.56 -0.04 1.61 -0.21 -1.26 -4.75 119.66 119.38 1ur1 s GLN 81 Ca 0.00 1.34 -0.00 0.00 0.02 0.00 0.00 55.36 56.71 1ur1 s GLN 81 Cb 0.00 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1ur1 s GLN 81 CO 0.00 0.26 0.02 -1.58 -2.12 0.00 0.00 175.29 171.87 1ur1 s TRP 82 N -1.63 3.17 -0.21 0.91 0.52 -1.26 -0.98 118.94 119.46 1ur1 s TRP 82 Ca 0.51 0.17 -0.03 0.00 0.02 0.00 0.00 56.10 56.76 1ur1 s TRP 82 Cb -0.19 -1.74 0.07 0.00 -1.15 0.00 0.00 33.47 30.46 1ur1 s TRP 82 CO 0.24 0.49 0.06 1.21 0.02 0.00 0.00 176.95 178.97 1ur1 s ASN 83 N -1.33 3.02 0.00 2.95 3.84 -0.68 -5.02 114.94 117.72 1ur1 s ASN 83 Ca 0.18 -0.93 0.26 0.00 0.21 0.00 0.00 52.86 52.58 1ur1 s ASN 83 Cb -0.12 -0.57 1.16 0.00 -0.55 0.00 0.00 41.25 41.18 1ur1 s ASN 83 CO 0.08 -0.33 1.79 0.79 -2.79 0.00 0.00 177.10 176.64 1ur1 n TRP 84 N 5.07 0.05 -0.01 0.43 7.02 -1.26 -4.57 117.44 124.17 1ur1 n TRP 84 Ca -0.08 -0.03 -0.09 0.00 -1.02 0.00 0.00 57.50 56.28 1ur1 n TRP 84 Cb 0.46 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.32 1ur1 n TRP 84 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1ur1 h LYS 85 N 1.48 -0.27 0.07 -0.99 3.64 -1.96 0.13 116.57 118.66 1ur1 h LYS 85 Ca 0.00 0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.14 1ur1 h LYS 85 Cb 0.32 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1ur1 h LYS 85 CO 0.00 -0.18 -1.10 -0.44 -2.27 0.00 0.00 179.45 175.46 1ur1 h ASP 86 N -0.28 0.62 -0.41 4.20 3.32 -1.94 -2.08 116.42 119.84 1ur1 h ASP 86 Ca 0.11 -0.55 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1ur1 h ASP 86 Cb 0.44 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1ur1 h ASP 86 CO -0.31 1.37 0.04 0.00 -1.72 0.00 0.00 179.24 178.63 1ur1 h ALA 87 N 0.57 0.55 -0.81 3.45 0.00 -1.75 -0.82 119.26 120.45 1ur1 h ALA 87 Ca -0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ur1 h ALA 87 Cb 1.77 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1ur1 h ALA 87 CO 0.20 0.29 0.46 -0.44 0.00 0.00 0.00 179.25 179.75 1ur1 h ASP 88 N 0.54 0.99 -0.62 0.00 5.19 -0.78 -2.26 116.42 119.49 1ur1 h ASP 88 Ca 0.12 -0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 1ur1 h ASP 88 Cb 0.41 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1ur1 h ASP 88 CO 0.01 0.78 0.13 0.00 -3.12 0.00 0.00 179.24 177.05 1ur1 h ALA 89 N 1.38 1.02 -0.27 3.45 0.00 -0.83 -0.13 119.26 123.89 1ur1 h ALA 89 Ca 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ur1 h ALA 89 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ur1 h ALA 89 CO -0.05 0.63 0.15 0.35 0.00 0.00 0.00 179.25 180.34 1ur1 h PHE 90 N 0.97 0.36 -0.26 0.00 3.57 -0.82 -0.20 116.94 120.56 1ur1 h PHE 90 Ca 0.20 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 1ur1 h PHE 90 Cb 0.38 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1ur1 h PHE 90 CO 0.03 0.30 -0.33 0.28 -2.23 0.00 0.00 178.31 176.35 1ur1 h VAL 91 N 0.33 1.29 -0.64 1.41 2.07 -1.17 -1.33 116.25 118.20 1ur1 h VAL 91 Ca 0.10 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1ur1 h VAL 91 Cb 0.05 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1ur1 h VAL 91 CO -0.02 0.46 0.18 0.00 0.02 0.00 0.00 177.57 178.21 1ur1 h ALA 92 N 1.16 1.10 -0.15 1.67 0.00 -0.76 -0.99 119.26 121.30 1ur1 h ALA 92 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ur1 h ALA 92 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ur1 h ALA 92 CO 0.07 0.61 0.02 0.35 0.00 0.00 0.00 179.25 180.30 1ur1 h PHE 93 N 0.95 0.26 -0.41 0.00 3.04 -0.49 0.87 116.94 121.16 1ur1 h PHE 93 Ca 0.21 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 1ur1 h PHE 93 Cb 0.31 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 1ur1 h PHE 93 CO 0.02 0.42 -0.04 0.78 -2.02 0.00 0.00 178.31 177.47 1ur1 h GLY 94 N 0.03 0.73 1.01 2.40 0.00 -1.13 -1.85 103.07 104.26 1ur1 h GLY 94 Ca 0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1ur1 h GLY 94 CO 0.00 0.45 0.02 -0.84 0.00 0.00 0.00 176.54 176.17 1ur1 h THR 95 N 0.63 1.26 -0.79 4.70 2.02 -1.01 0.10 112.91 119.83 1ur1 h THR 95 Ca 0.12 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1ur1 h THR 95 Cb 0.46 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1ur1 h THR 95 CO 0.02 0.37 0.51 0.50 0.37 0.00 0.00 175.52 177.29 1ur1 h LYS 96 N 0.75 1.04 -0.54 6.66 1.63 -0.41 -2.85 116.57 122.86 1ur1 h LYS 96 Ca 0.15 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ur1 h LYS 96 Cb 0.50 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1ur1 h LYS 96 CO 0.02 0.71 0.00 0.72 -3.45 0.00 0.00 179.45 177.45 1ur1 n HIS 97 N -4.52 0.71 -3.85 1.91 8.25 -0.73 -4.96 115.22 112.02 1ur1 n HIS 97 Ca 0.08 -0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 56.91 1ur1 n HIS 97 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1ur1 n HIS 97 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ur1 n ASN 98 N 1.43 -1.96 -4.83 0.41 5.15 -0.32 -4.98 115.26 110.16 1ur1 n ASN 98 Ca 0.21 -1.00 -0.36 0.00 -0.60 0.00 0.00 54.58 52.83 1ur1 n ASN 98 Cb 0.57 -3.21 -0.07 0.00 -0.53 0.00 0.00 39.78 36.55 1ur1 n ASN 98 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ur1 s LEU 99 N -6.81 4.18 0.25 1.20 1.43 0.20 -5.00 118.68 114.13 1ur1 s LEU 99 Ca 0.15 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 1ur1 s LEU 99 Cb -0.06 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 43.99 1ur1 s LEU 99 CO 0.88 0.39 1.62 -2.28 0.23 0.00 0.00 176.35 177.18 1ur1 s HIS 100 N -1.02 2.86 -0.06 0.29 5.65 -0.55 -4.71 115.29 117.75 1ur1 s HIS 100 Ca 0.16 0.65 0.04 0.00 0.25 0.00 0.00 55.06 56.16 1ur1 s HIS 100 Cb -0.12 -4.05 0.00 0.00 -1.18 0.00 0.00 32.58 27.23 1ur1 s HIS 100 CO 0.05 -3.72 -0.18 -1.64 -0.65 0.00 0.00 174.74 168.60 1ur1 s MET 101 N 0.22 2.15 -0.23 2.88 1.00 -1.26 -0.54 119.30 123.52 1ur1 s MET 101 Ca 0.67 -0.66 -0.05 0.00 0.00 0.00 0.00 55.69 55.66 1ur1 s MET 101 Cb -0.47 -1.76 -0.01 0.00 0.00 0.00 0.00 34.83 32.58 1ur1 s MET 101 CO 0.41 0.19 -0.01 0.08 0.00 0.00 0.00 175.02 175.68 1ur1 s VAL 102 N 0.24 3.56 0.27 -6.03 1.01 -0.55 -1.28 120.40 117.62 1ur1 s VAL 102 Ca -0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1ur1 s VAL 102 Cb -0.14 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 1ur1 s VAL 102 CO 0.04 0.37 1.19 -0.83 0.00 0.00 0.00 175.10 175.88 1ur1 s GLY 103 N 1.50 2.93 -0.13 4.51 0.00 0.18 -4.00 107.32 112.31 1ur1 s GLY 103 Ca 0.05 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.76 1ur1 s GLY 103 CO -0.02 1.73 0.19 -1.58 0.00 0.00 0.00 173.10 173.42 1ur1 s HIS 104 N -0.85 -0.22 -0.00 1.90 5.04 -1.26 -0.92 115.29 118.97 1ur1 s HIS 104 Ca 0.48 0.53 -0.05 0.00 -1.54 0.00 0.00 55.06 54.48 1ur1 s HIS 104 Cb -0.35 -0.27 -0.00 0.00 0.04 0.00 0.00 32.58 32.00 1ur1 s HIS 104 CO 0.43 -0.38 0.09 -0.08 -2.34 0.00 0.00 174.74 172.47 1ur1 s THR 105 N 2.32 0.07 -0.06 0.89 -1.32 -1.26 -3.71 115.64 112.57 1ur1 s THR 105 Ca 0.04 -0.61 -0.24 0.00 -1.21 0.00 0.00 61.69 59.66 1ur1 s THR 105 Cb -0.13 -0.34 -0.19 0.00 -1.51 0.00 0.00 72.50 70.32 1ur1 s THR 105 CO -0.08 -0.34 0.97 -0.07 -2.21 0.00 0.00 174.62 172.89 1ur1 h LEU 106 N 4.68 -0.07 -7.63 9.08 3.38 -1.32 -3.41 115.31 120.01 1ur1 h LEU 106 Ca -0.30 -0.54 -0.58 0.00 0.09 0.00 0.00 57.88 56.55 1ur1 h LEU 106 Cb 1.20 0.02 -0.38 0.00 0.09 0.00 0.00 40.66 41.59 1ur1 h LEU 106 CO 0.41 0.56 -0.79 -0.69 0.09 0.00 0.00 178.44 178.02 1ur1 s VAL 107 N -3.40 1.31 0.00 1.22 1.01 -0.06 -4.82 120.40 115.66 1ur1 s VAL 107 Ca -0.15 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 1ur1 s VAL 107 Cb 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1ur1 s VAL 107 CO 0.58 0.04 0.46 0.86 0.00 0.00 0.00 175.10 177.04 1ur1 s TRP 108 N 1.52 -0.36 -1.08 5.22 -0.00 -1.26 -1.99 118.94 120.99 1ur1 s TRP 108 Ca -0.02 0.49 0.28 0.00 -0.00 0.00 0.00 56.10 56.85 1ur1 s TRP 108 Cb -0.17 0.25 1.04 0.00 -0.00 0.00 0.00 33.47 34.59 1ur1 s TRP 108 CO -0.07 -0.54 1.78 -2.39 -0.00 0.00 0.00 176.95 175.73 1ur1 n HIS 109 N 0.82 0.00 -4.16 5.86 1.44 -1.26 -4.83 115.22 113.09 1ur1 n HIS 109 Ca -0.20 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.26 1ur1 n HIS 109 Cb 0.58 -0.39 -0.06 0.00 0.12 0.00 0.00 29.99 30.23 1ur1 n HIS 109 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ur1 s SER 110 N -2.93 5.11 -1.34 4.39 0.15 -1.26 -4.62 113.70 113.19 1ur1 s SER 110 Ca 0.15 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.49 1ur1 s SER 110 Cb 0.19 -1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1ur1 s SER 110 CO 0.57 0.06 0.58 0.00 1.20 0.00 0.00 173.24 175.65 1ur1 n GLN 111 N -0.38 -4.11 -3.76 5.44 6.02 -1.26 -4.87 117.38 114.45 1ur1 n GLN 111 Ca -0.09 0.53 -0.13 0.00 -0.01 0.00 0.00 57.00 57.30 1ur1 n GLN 111 Cb 0.56 -4.88 -0.12 0.00 1.02 0.00 0.00 30.24 26.81 1ur1 n GLN 111 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1ur1 s ILE 112 N -3.79 -0.02 0.35 5.09 2.07 -1.26 -0.70 121.20 122.94 1ur1 s ILE 112 Ca 0.02 0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 59.04 1ur1 s ILE 112 Cb -0.01 -0.35 -0.11 0.00 0.13 0.00 0.00 42.46 42.13 1ur1 s ILE 112 CO 0.84 0.03 1.38 -1.00 -1.91 0.00 0.00 174.94 174.28 1ur1 s HIS 113 N 0.64 2.87 0.57 3.50 3.76 -1.26 -4.88 115.29 120.48 1ur1 s HIS 113 Ca -0.04 1.31 0.26 0.00 -0.15 0.00 0.00 55.06 56.44 1ur1 s HIS 113 Cb -0.06 -3.82 1.69 0.00 1.11 0.00 0.00 32.58 31.50 1ur1 s HIS 113 CO -0.04 -2.32 2.23 -0.44 -0.85 0.00 0.00 174.74 173.32 1ur1 h ASP 114 N 3.26 0.00 -0.03 1.40 3.32 -1.97 -1.69 116.42 120.70 1ur1 h ASP 114 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ur1 h ASP 114 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ur1 h ASP 114 CO 0.65 0.00 0.11 -0.33 -1.72 0.00 0.00 179.24 177.96 1ur1 h GLU 115 N 0.00 0.00 -0.31 3.56 3.07 -1.89 -0.28 114.58 118.73 1ur1 h GLU 115 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1ur1 h GLU 115 Cb 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1ur1 h GLU 115 CO 0.00 0.00 -0.12 0.28 -1.40 0.00 0.00 179.01 177.77 1ur1 h VAL 116 N 0.00 1.23 0.00 3.13 2.07 -1.63 -3.33 116.25 117.72 1ur1 h VAL 116 Ca 0.01 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1ur1 h VAL 116 Cb 0.24 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1ur1 h VAL 116 CO -0.00 0.34 -1.71 0.49 0.02 0.00 0.00 177.57 176.70 1ur1 n PHE 117 N -4.20 0.00 -4.51 1.57 3.72 -0.27 -4.89 117.46 108.88 1ur1 n PHE 117 Ca 0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1ur1 n PHE 117 Cb 0.33 -0.41 -0.14 0.00 -0.94 0.00 0.00 39.48 38.32 1ur1 n PHE 117 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ur1 s LYS 118 N -2.81 1.13 0.84 -1.08 1.02 -0.30 -1.66 119.74 116.88 1ur1 s LYS 118 Ca -0.06 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1ur1 s LYS 118 Cb 0.08 -1.17 0.09 0.00 -0.52 0.00 0.00 37.83 36.31 1ur1 s LYS 118 CO 0.58 0.30 1.09 -0.80 -0.92 0.00 0.00 175.35 175.59 1ur1 s ASN 119 N -1.02 3.99 0.59 2.83 0.01 0.80 -4.50 114.94 117.63 1ur1 s ASN 119 Ca 0.04 1.60 0.30 0.00 -0.71 0.00 0.00 52.86 54.09 1ur1 s ASN 119 Cb -0.08 -2.30 1.76 0.00 0.41 0.00 0.00 41.25 41.04 1ur1 s ASN 119 CO 0.01 -2.33 2.18 0.00 -1.51 0.00 0.00 177.10 175.45 1ur1 h ALA 120 N -1.33 1.64 -0.00 0.60 0.00 -1.97 0.42 119.26 118.61 1ur1 h ALA 120 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ur1 h ALA 120 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ur1 h ALA 120 CO 0.54 -0.15 -0.01 -0.40 0.00 0.00 0.00 179.25 179.22 1ur1 n ASP 121 N -3.78 0.14 0.00 0.00 5.68 -1.26 -4.91 116.55 112.43 1ur1 n ASP 121 Ca -0.01 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 1ur1 n ASP 121 Cb 0.21 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1ur1 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ur1 n GLY 122 N 1.14 2.17 3.78 6.12 0.00 0.14 -5.06 105.19 113.47 1ur1 n GLY 122 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ur1 n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ur1 s SER 123 N -1.41 6.08 0.33 1.61 1.04 -1.26 -4.69 113.70 115.41 1ur1 s SER 123 Ca 0.00 2.13 -0.26 0.00 0.48 0.00 0.00 55.95 58.30 1ur1 s SER 123 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 1ur1 s SER 123 CO 0.00 -0.97 0.97 -0.31 0.98 0.00 0.00 173.24 173.91 1ur1 s TYR 124 N -1.76 3.62 0.81 5.02 2.02 -1.26 -0.14 117.35 125.66 1ur1 s TYR 124 Ca 0.68 1.76 -0.12 0.00 -0.37 0.00 0.00 57.07 59.02 1ur1 s TYR 124 Cb -0.23 -2.97 0.08 0.00 -0.40 0.00 0.00 41.96 38.44 1ur1 s TYR 124 CO 0.27 0.04 1.10 0.96 -1.57 0.00 0.00 175.55 176.35 1ur1 s ILE 125 N -1.61 2.93 0.81 2.71 -4.36 -0.66 -4.82 121.20 116.20 1ur1 s ILE 125 Ca 0.51 0.30 -0.10 0.00 -0.26 0.00 0.00 60.65 61.10 1ur1 s ILE 125 Cb -0.20 -3.04 0.08 0.00 1.25 0.00 0.00 42.46 40.55 1ur1 s ILE 125 CO 0.25 -0.40 1.10 -0.94 0.24 0.00 0.00 174.94 175.20 1ur1 s SER 126 N -3.90 4.11 0.23 4.36 1.04 -1.26 -4.86 113.70 113.42 1ur1 s SER 126 Ca 0.61 1.88 -0.06 0.00 0.48 0.00 0.00 55.95 58.86 1ur1 s SER 126 Cb -0.15 -2.51 0.34 0.00 0.10 0.00 0.00 66.02 63.80 1ur1 s SER 126 CO 0.54 -2.30 1.80 0.50 0.98 0.00 0.00 173.24 174.77 1ur1 h LYS 127 N -1.31 0.71 -0.84 4.02 3.64 -1.97 -1.32 116.57 119.50 1ur1 h LYS 127 Ca -0.44 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1ur1 h LYS 127 Cb 1.24 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1ur1 h LYS 127 CO 0.49 0.47 0.38 0.00 -2.27 0.00 0.00 179.45 178.52 1ur1 h ALA 128 N 1.42 1.10 -0.35 5.00 0.00 -1.95 0.13 119.26 124.60 1ur1 h ALA 128 Ca 0.36 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1ur1 h ALA 128 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ur1 h ALA 128 CO -0.23 0.67 -0.37 0.00 0.00 0.00 0.00 179.25 179.32 1ur1 h ALA 129 N 1.22 0.68 -0.37 0.00 0.00 -1.79 -2.03 119.26 116.97 1ur1 h ALA 129 Ca 0.28 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1ur1 h ALA 129 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ur1 h ALA 129 CO -0.03 0.67 -0.34 1.25 0.00 0.00 0.00 179.25 180.79 1ur1 h LEU 130 N 0.68 0.94 -0.76 0.00 5.85 -1.03 -2.59 115.31 118.39 1ur1 h LEU 130 Ca 0.06 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.43 1ur1 h LEU 130 Cb 0.94 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1ur1 h LEU 130 CO 0.09 1.20 0.39 -0.61 -0.34 0.00 0.00 178.44 179.17 1ur1 h GLN 131 N 0.69 0.61 -0.91 1.25 5.75 -0.62 0.34 115.11 122.22 1ur1 h GLN 131 Ca 0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ur1 h GLN 131 Cb 0.93 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 1ur1 h GLN 131 CO 0.09 0.41 0.52 -0.22 -2.65 0.00 0.00 178.83 176.97 1ur1 h LYS 132 N 0.63 1.25 -0.47 1.69 3.64 -1.17 0.46 116.57 122.60 1ur1 h LYS 132 Ca 0.38 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1ur1 h LYS 132 Cb 0.43 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1ur1 h LYS 132 CO -0.29 0.90 0.03 0.87 -2.27 0.00 0.00 179.45 178.69 1ur1 h LYS 133 N 1.26 0.81 -0.68 1.90 1.57 -0.94 -1.32 116.57 119.17 1ur1 h LYS 133 Ca 0.32 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ur1 h LYS 133 Cb -0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1ur1 h LYS 133 CO -0.06 0.84 0.38 1.98 -0.57 0.00 0.00 179.45 182.03 1ur1 h MET 134 N 0.66 0.94 -0.29 3.15 4.05 -0.29 -0.21 114.93 122.93 1ur1 h MET 134 Ca 0.14 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1ur1 h MET 134 Cb 0.45 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1ur1 h MET 134 CO 0.02 0.69 0.19 0.93 0.23 0.00 0.00 176.91 178.97 1ur1 h GLU 135 N 0.92 0.39 -0.50 0.39 5.08 -0.73 -0.39 114.58 119.73 1ur1 h GLU 135 Ca 0.24 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1ur1 h GLU 135 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ur1 h GLU 135 CO -0.04 0.26 0.22 1.49 -1.00 0.00 0.00 179.01 179.94 1ur1 h GLU 136 N 0.40 0.74 -0.07 2.33 4.81 -1.01 -0.72 114.58 121.05 1ur1 h GLU 136 Ca 0.11 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ur1 h GLU 136 Cb -0.04 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1ur1 h GLU 136 CO -0.02 0.64 0.01 1.25 -0.73 0.00 0.00 179.01 180.16 1ur1 h HIS 137 N 0.67 0.12 -0.27 0.92 2.76 -0.65 -1.35 115.15 117.35 1ur1 h HIS 137 Ca 0.17 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1ur1 h HIS 137 Cb 0.17 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1ur1 h HIS 137 CO 0.00 0.33 -0.12 0.82 -1.30 0.00 0.00 177.93 177.66 1ur1 h ILE 138 N -0.12 1.29 -0.65 6.26 2.04 -1.05 -0.41 117.51 124.87 1ur1 h ILE 138 Ca 0.02 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 64.73 1ur1 h ILE 138 Cb 0.27 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1ur1 h ILE 138 CO 0.00 0.38 0.38 0.74 0.00 0.00 0.00 178.15 179.65 1ur1 h THR 139 N 0.30 1.01 0.17 -0.27 2.02 -1.12 0.09 112.91 115.11 1ur1 h THR 139 Ca 0.06 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1ur1 h THR 139 Cb 0.62 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1ur1 h THR 139 CO 0.04 0.13 -0.08 0.74 0.37 0.00 0.00 175.52 176.72 1ur1 h THR 140 N 0.72 0.96 0.14 3.16 2.02 -1.13 -1.99 112.91 116.80 1ur1 h THR 140 Ca 0.28 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1ur1 h THR 140 Cb 0.12 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ur1 h THR 140 CO -0.15 0.19 -0.07 0.25 0.37 0.00 0.00 175.52 176.11 1ur1 h LEU 141 N -0.65 -0.16 -1.56 2.58 5.85 -0.97 -0.96 115.31 119.45 1ur1 h LEU 141 Ca -0.02 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 1ur1 h LEU 141 Cb 0.48 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ur1 h LEU 141 CO 0.04 0.42 -0.23 0.00 -0.34 0.00 0.00 178.44 178.33 1ur1 h ALA 142 N -0.29 1.54 -0.35 1.25 0.00 -1.17 -2.90 119.26 117.33 1ur1 h ALA 142 Ca -0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1ur1 h ALA 142 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ur1 h ALA 142 CO 0.03 0.29 -0.42 0.78 0.00 0.00 0.00 179.25 179.93 1ur1 h GLY 143 N 0.78 0.98 0.60 0.00 0.00 -1.28 -1.94 103.07 102.19 1ur1 h GLY 143 Ca -0.00 -1.03 0.09 0.00 0.00 0.00 0.00 47.33 46.39 1ur1 h GLY 143 CO 0.03 0.93 0.54 -0.09 0.00 0.00 0.00 176.54 177.95 1ur1 h ARG 144 N 0.72 0.90 -0.38 4.80 2.43 -0.96 -2.74 114.38 119.16 1ur1 h ARG 144 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ur1 h ARG 144 Cb 1.01 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1ur1 h ARG 144 CO 0.10 0.60 0.00 0.66 -1.51 0.00 0.00 179.97 179.82 1ur1 n TYR 145 N -4.65 1.02 -1.64 2.20 4.01 -1.19 -4.98 117.16 111.92 1ur1 n TYR 145 Ca 0.15 -0.72 -0.51 0.00 -0.16 0.00 0.00 57.90 56.66 1ur1 n TYR 145 Cb 0.25 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1ur1 n TYR 145 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ur1 n LYS 146 N 0.14 1.57 0.00 -0.72 4.81 -0.74 -0.57 118.16 122.65 1ur1 n LYS 146 Ca 0.20 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1ur1 n LYS 146 Cb 0.80 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1ur1 n LYS 146 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ur1 n GLY 147 N 3.29 2.87 0.12 3.14 0.00 -1.26 -4.77 105.19 108.58 1ur1 n GLY 147 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1ur1 n GLY 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ur1 n LYS 148 N -2.00 0.65 -3.07 1.61 5.02 0.26 -4.84 118.16 115.79 1ur1 n LYS 148 Ca 0.00 0.38 -0.40 0.00 -2.02 0.00 0.00 58.31 56.27 1ur1 n LYS 148 Cb 0.00 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 1ur1 n LYS 148 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ur1 s LEU 149 N -7.39 4.23 0.26 -0.35 1.43 -0.90 -4.66 118.68 111.29 1ur1 s LEU 149 Ca -0.28 1.03 0.12 0.00 -1.03 0.00 0.00 54.13 53.98 1ur1 s LEU 149 Cb 0.07 -3.01 0.24 0.00 0.03 0.00 0.00 46.19 43.52 1ur1 s LEU 149 CO 0.65 -0.21 1.53 0.00 0.23 0.00 0.00 176.35 178.55 1ur1 h ALA 150 N 7.10 0.76 -2.45 4.21 0.00 -1.51 -3.45 119.26 123.92 1ur1 h ALA 150 Ca -0.36 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 53.87 1ur1 h ALA 150 Cb 1.17 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1ur1 h ALA 150 CO 0.78 0.80 -0.47 0.00 0.00 0.00 0.00 179.25 180.36 1ur1 s ALA 151 N -3.26 -0.02 -0.03 0.00 0.00 -1.14 -0.98 121.76 116.33 1ur1 s ALA 151 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1ur1 s ALA 151 Cb 0.11 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1ur1 s ALA 151 CO 0.76 -0.44 -0.07 -1.58 0.00 0.00 0.00 175.76 174.43 1ur1 s TRP 152 N -3.66 0.79 -0.71 0.00 0.52 -0.44 -0.64 118.94 114.79 1ur1 s TRP 152 Ca 0.04 -0.19 -0.27 0.00 0.02 0.00 0.00 56.10 55.70 1ur1 s TRP 152 Cb 0.05 -0.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1ur1 s TRP 152 CO -0.10 -0.11 1.47 -0.51 0.02 0.00 0.00 176.95 177.72 1ur1 s ASP 153 N 0.36 5.89 -0.10 2.95 1.01 -0.10 -0.90 116.67 125.79 1ur1 s ASP 153 Ca -0.05 -0.25 -0.27 0.00 0.71 0.00 0.00 52.55 52.70 1ur1 s ASP 153 Cb -0.09 -2.55 -0.26 0.00 1.01 0.00 0.00 42.92 41.03 1ur1 s ASP 153 CO 0.00 -2.01 0.89 0.58 0.21 0.00 0.00 175.17 174.85 1ur1 h VAL 154 N 6.33 1.67 -3.81 -1.27 2.07 -1.47 -1.63 116.25 118.13 1ur1 h VAL 154 Ca -0.25 -2.18 -0.57 0.00 0.82 0.00 0.00 66.70 64.52 1ur1 h VAL 154 Cb 1.08 3.12 -0.32 0.00 -1.52 0.00 0.00 31.29 33.66 1ur1 h VAL 154 CO 1.27 0.58 -0.84 -0.69 0.02 0.00 0.00 177.57 177.91 1ur1 s VAL 155 N -2.63 1.46 -0.12 2.57 1.01 -1.24 -0.88 120.40 120.57 1ur1 s VAL 155 Ca -0.17 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1ur1 s VAL 155 Cb -0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ur1 s VAL 155 CO 0.72 0.42 -0.19 0.21 0.00 0.00 0.00 175.10 176.26 1ur1 s ASN 156 N 0.12 3.51 -1.04 3.32 2.47 -0.84 -1.95 114.94 120.52 1ur1 s ASN 156 Ca -0.06 -0.46 -0.02 0.00 0.42 0.00 0.00 52.86 52.74 1ur1 s ASN 156 Cb -0.12 -1.51 -0.02 0.00 -1.45 0.00 0.00 41.25 38.15 1ur1 s ASN 156 CO 0.03 0.15 0.88 -0.62 -3.72 0.00 0.00 177.10 173.82 1ur1 n GLU 157 N 3.61 -4.80 0.03 0.43 1.02 0.03 -4.56 120.64 116.40 1ur1 n GLU 157 Ca -0.19 0.77 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1ur1 n GLU 157 Cb 0.53 -5.50 0.18 0.00 -0.02 0.00 0.00 31.44 26.63 1ur1 n GLU 157 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ur1 n ALA 158 N -3.59 3.25 -2.75 0.62 0.00 -1.26 -4.83 120.51 111.96 1ur1 n ALA 158 Ca -0.20 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 1ur1 n ALA 158 Cb 0.64 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1ur1 n ALA 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ur1 s VAL 159 N -3.10 5.35 0.74 0.00 1.01 -1.26 -0.79 120.40 122.35 1ur1 s VAL 159 Ca 0.08 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1ur1 s VAL 159 Cb 0.15 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1ur1 s VAL 159 CO 0.72 0.45 1.09 -0.83 0.00 0.00 0.00 175.10 176.53 1ur1 s GLY 160 N 0.27 1.63 0.40 4.51 0.00 0.13 -4.60 107.32 109.67 1ur1 s GLY 160 Ca 0.08 -0.20 0.28 0.00 0.00 0.00 0.00 44.72 44.88 1ur1 s GLY 160 CO -0.01 0.18 1.82 -0.55 0.00 0.00 0.00 173.10 174.54 1ur1 h ASP 161 N -0.86 0.00 0.00 1.64 3.32 -1.96 -1.05 116.42 117.51 1ur1 h ASP 161 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1ur1 h ASP 161 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ur1 h ASP 161 CO 0.61 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 1ur1 n ASP 162 N -2.73 0.00 0.00 6.45 5.75 -1.26 -4.91 116.55 119.86 1ur1 n ASP 162 Ca 0.02 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1ur1 n ASP 162 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1ur1 n ASP 162 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ur1 n LEU 163 N -0.66 0.40 -4.98 -2.12 4.77 -0.40 -5.01 117.00 109.00 1ur1 n LEU 163 Ca 0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1ur1 n LEU 163 Cb 0.04 -0.81 0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1ur1 n LEU 163 CO 0.06 -0.26 0.35 -0.54 -1.33 0.00 0.00 177.39 175.67 1ur1 s LYS 164 N -0.52 2.54 0.31 3.23 1.02 -1.26 -4.81 119.74 120.25 1ur1 s LYS 164 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1ur1 s LYS 164 Cb 0.00 -2.51 -0.12 0.00 -0.52 0.00 0.00 37.83 34.68 1ur1 s LYS 164 CO 0.00 -0.70 1.39 -1.33 -0.92 0.00 0.00 175.35 173.79 1ur1 n MET 165 N -2.31 2.24 -1.83 1.68 2.81 -1.26 0.20 117.12 118.64 1ur1 n MET 165 Ca 0.08 0.79 -0.42 0.00 -1.81 0.00 0.00 57.70 56.35 1ur1 n MET 165 Cb 0.60 -2.44 -0.02 0.00 -0.71 0.00 0.00 33.22 30.65 1ur1 n MET 165 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1ur1 s ARG 166 N -1.31 4.16 -1.15 0.03 3.52 0.03 -4.44 118.95 119.79 1ur1 s ARG 166 Ca 0.60 2.51 -0.06 0.00 -0.13 0.00 0.00 55.73 58.65 1ur1 s ARG 166 Cb -0.57 -3.05 0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1ur1 s ARG 166 CO 0.57 -0.59 2.63 -3.47 -0.81 0.00 0.00 175.30 173.63 1ur1 n ASP 167 N 2.41 7.76 -4.93 -2.12 2.03 -1.26 -4.68 116.55 115.75 1ur1 n ASP 167 Ca 0.09 -3.02 -0.26 0.00 0.52 0.00 0.00 54.79 52.12 1ur1 n ASP 167 Cb 0.38 -1.38 0.06 0.00 -0.72 0.00 0.00 41.12 39.47 1ur1 n ASP 167 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ur1 s SER 168 N 0.78 4.91 0.24 1.67 1.04 -1.26 -4.88 113.70 116.19 1ur1 s SER 168 Ca 0.58 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 57.41 1ur1 s SER 168 Cb 0.23 -1.15 0.23 0.00 0.10 0.00 0.00 66.02 65.42 1ur1 s SER 168 CO -0.11 -1.53 1.90 0.45 0.98 0.00 0.00 173.24 174.93 1ur1 h HIS 169 N -0.53 1.21 -0.52 5.02 -0.00 -1.94 -0.22 115.15 118.17 1ur1 h HIS 169 Ca -0.44 0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.04 1ur1 h HIS 169 Cb 1.31 -0.40 -0.10 0.00 -0.00 0.00 0.00 27.41 28.22 1ur1 h HIS 169 CO 0.35 0.79 -0.13 -1.49 -0.00 0.00 0.00 177.93 177.44 1ur1 h TRP 170 N 1.28 -0.28 -0.01 2.45 4.06 -1.95 -1.48 115.95 120.03 1ur1 h TRP 170 Ca 0.34 0.05 -0.24 0.00 2.06 0.00 0.00 58.89 61.09 1ur1 h TRP 170 Cb -0.10 0.20 0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1ur1 h TRP 170 CO 0.00 -0.22 -0.94 -0.92 -3.56 0.00 0.00 178.44 172.79 1ur1 h TYR 171 N 0.00 0.97 -0.78 0.49 3.20 -1.68 -1.02 116.97 118.15 1ur1 h TYR 171 Ca 0.25 -0.52 -0.04 0.00 3.14 0.00 0.00 58.73 61.56 1ur1 h TYR 171 Cb 0.38 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1ur1 h TYR 171 CO -0.44 1.35 0.33 0.87 -1.64 0.00 0.00 178.16 178.63 1ur1 h LYS 172 N 0.31 1.15 0.12 1.82 1.57 -0.93 0.75 116.57 121.37 1ur1 h LYS 172 Ca -0.12 -0.20 -0.23 0.00 -1.87 0.00 0.00 60.65 58.23 1ur1 h LYS 172 Cb 1.61 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 33.75 1ur1 h LYS 172 CO 0.19 0.92 -0.99 0.82 -0.57 0.00 0.00 179.45 179.82 1ur1 h ILE 173 N 1.13 1.40 0.00 1.86 2.04 -1.29 -3.41 117.51 119.24 1ur1 h ILE 173 Ca 0.26 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.68 1ur1 h ILE 173 Cb 0.19 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1ur1 h ILE 173 CO -0.02 0.72 -1.35 0.23 0.00 0.00 0.00 178.15 177.72 1ur1 n MET 174 N -3.99 1.01 0.00 2.37 2.81 -0.39 -4.57 117.12 114.35 1ur1 n MET 174 Ca -0.14 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1ur1 n MET 174 Cb 0.88 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 1ur1 n MET 174 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ur1 n GLY 175 N 1.64 -0.29 0.00 3.03 0.00 0.25 -3.47 105.19 106.35 1ur1 n GLY 175 Ca -0.01 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 44.99 1ur1 n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ur1 n ASP 176 N -1.48 0.00 0.31 1.61 8.00 -1.26 -1.43 116.55 122.30 1ur1 n ASP 176 Ca 0.00 0.42 0.19 0.00 0.71 0.00 0.00 54.79 56.11 1ur1 n ASP 176 Cb 0.00 -0.45 1.04 0.00 -0.02 0.00 0.00 41.12 41.69 1ur1 n ASP 176 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ur1 h ASP 177 N 0.00 0.00 -0.47 -2.24 3.32 -1.96 -1.03 116.42 114.04 1ur1 h ASP 177 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1ur1 h ASP 177 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ur1 h ASP 177 CO 0.00 0.01 0.24 2.19 -1.72 0.00 0.00 179.24 179.96 1ur1 h PHE 178 N 0.00 0.70 0.00 4.55 -5.15 -1.41 0.03 116.94 115.65 1ur1 h PHE 178 Ca -0.00 -0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.74 1ur1 h PHE 178 Cb 0.09 -0.22 -0.00 0.00 0.22 0.00 0.00 35.95 36.03 1ur1 h PHE 178 CO 0.00 0.52 -0.08 0.82 -2.00 0.00 0.00 178.31 177.57 1ur1 h ILE 179 N 0.71 1.47 -0.61 0.88 2.04 -1.42 -2.84 117.51 117.73 1ur1 h ILE 179 Ca 0.18 -2.13 0.11 0.00 1.00 0.00 0.00 64.86 64.02 1ur1 h ILE 179 Cb 0.09 2.80 -0.08 0.00 -0.74 0.00 0.00 36.82 38.88 1ur1 h ILE 179 CO -0.02 0.50 0.16 0.22 0.00 0.00 0.00 178.15 179.00 1ur1 h TYR 180 N -1.00 0.25 -0.12 1.37 3.20 -1.35 -2.40 116.97 116.93 1ur1 h TYR 180 Ca -0.02 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 1ur1 h TYR 180 Cb 0.86 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1ur1 h TYR 180 CO 0.22 -0.01 -0.65 -0.91 -1.64 0.00 0.00 178.16 175.18 1ur1 h ASN 181 N 0.29 0.52 -0.19 -2.11 2.35 -1.12 -1.84 115.58 113.48 1ur1 h ASN 181 Ca 0.32 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ur1 h ASN 181 Cb 0.47 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1ur1 h ASN 181 CO -0.39 1.03 0.12 0.00 -1.65 0.00 0.00 177.43 176.54 1ur1 h ALA 182 N 0.97 0.25 -0.52 -0.83 0.00 -1.19 -0.15 119.26 117.79 1ur1 h ALA 182 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ur1 h ALA 182 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ur1 h ALA 182 CO 0.11 -0.26 0.06 0.74 0.00 0.00 0.00 179.25 179.90 1ur1 h PHE 183 N 0.25 0.94 -0.22 0.00 -1.00 -1.41 -0.45 116.94 115.05 1ur1 h PHE 183 Ca 0.07 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 60.72 1ur1 h PHE 183 Cb -0.01 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 1ur1 h PHE 183 CO -0.06 0.85 0.13 1.15 -1.61 0.00 0.00 178.31 178.78 1ur1 h THR 184 N 0.75 1.03 -0.15 -1.55 2.02 -1.16 -0.89 112.91 112.97 1ur1 h THR 184 Ca 0.15 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1ur1 h THR 184 Cb 0.44 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1ur1 h THR 184 CO 0.01 0.05 0.08 -0.07 0.37 0.00 0.00 175.52 175.96 1ur1 h LEU 185 N 0.27 0.19 -1.06 2.58 3.38 -0.95 -1.10 115.31 118.61 1ur1 h LEU 185 Ca 0.09 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ur1 h LEU 185 Cb -0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1ur1 h LEU 185 CO -0.04 0.22 0.63 0.00 0.09 0.00 0.00 178.44 179.34 1ur1 h ALA 186 N 0.97 1.38 -0.07 1.53 0.00 -0.89 -1.01 119.26 121.17 1ur1 h ALA 186 Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ur1 h ALA 186 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ur1 h ALA 186 CO -0.01 0.52 -0.50 -0.97 0.00 0.00 0.00 179.25 178.29 1ur1 h ASN 187 N 1.21 0.20 -0.20 0.00 -0.73 -0.88 -0.80 115.58 114.39 1ur1 h ASN 187 Ca 0.38 -0.10 -0.11 0.00 1.87 0.00 0.00 56.30 58.34 1ur1 h ASN 187 Cb 0.01 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1ur1 h ASN 187 CO -0.12 0.68 -0.26 -0.33 -0.37 0.00 0.00 177.43 177.02 1ur1 h GLU 188 N 0.15 0.67 0.05 6.67 5.08 -0.59 -2.73 114.58 123.87 1ur1 h GLU 188 Ca 0.00 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 1ur1 h GLU 188 Cb 0.94 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1ur1 h GLU 188 CO 0.08 0.87 -0.60 0.28 -1.00 0.00 0.00 179.01 178.64 1ur1 h VAL 189 N 0.58 1.49 -2.80 3.13 2.07 -0.90 -3.40 116.25 116.42 1ur1 h VAL 189 Ca 0.08 -2.23 -0.60 0.00 0.82 0.00 0.00 66.70 64.77 1ur1 h VAL 189 Cb 0.75 2.86 -0.40 0.00 -1.52 0.00 0.00 31.29 32.99 1ur1 h VAL 189 CO 0.06 0.63 -0.79 -0.62 0.02 0.00 0.00 177.57 176.88 1ur1 s ASP 190 N -6.74 3.23 0.63 0.57 -1.08 -0.33 -4.81 116.67 108.13 1ur1 s ASP 190 Ca -0.14 -2.71 0.41 0.00 -0.52 0.00 0.00 52.55 49.59 1ur1 s ASP 190 Cb 0.02 -0.84 2.25 0.00 -1.46 0.00 0.00 42.92 42.89 1ur1 s ASP 190 CO 0.81 -0.24 2.27 -0.65 0.52 0.00 0.00 175.17 177.87 1ur1 h PRO 191 N 6.49 0.00 0.00 4.34 0.11 -1.70 -1.81 132.00 139.43 1ur1 h PRO 191 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ur1 h PRO 191 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ur1 h PRO 191 CO 0.44 0.00 -0.57 1.63 -0.21 0.00 0.00 178.00 179.29 1ur1 n LYS 192 N -2.97 0.11 -2.35 1.05 5.02 -1.26 -4.94 118.16 112.82 1ur1 n LYS 192 Ca -0.03 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1ur1 n LYS 192 Cb 0.08 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1ur1 n LYS 192 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ur1 s ALA 193 N -3.06 3.03 -0.39 7.82 0.00 -0.68 -4.95 121.76 123.52 1ur1 s ALA 193 Ca 0.09 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 1ur1 s ALA 193 Cb 0.16 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.95 1ur1 s ALA 193 CO 0.71 -0.51 0.73 -1.58 0.00 0.00 0.00 175.76 175.11 1ur1 s HIS 194 N -1.57 3.09 -0.16 0.00 2.46 -0.15 -4.94 115.29 114.02 1ur1 s HIS 194 Ca 0.61 0.34 -0.12 0.00 0.47 0.00 0.00 55.06 56.36 1ur1 s HIS 194 Cb -0.27 -3.38 -0.05 0.00 -0.13 0.00 0.00 32.58 28.76 1ur1 s HIS 194 CO 0.33 -0.78 0.24 -0.51 -2.47 0.00 0.00 174.74 171.56 1ur1 s LEU 195 N 3.00 4.25 0.03 8.88 1.43 -1.26 -1.33 118.68 133.69 1ur1 s LEU 195 Ca 0.28 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1ur1 s LEU 195 Cb -0.13 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1ur1 s LEU 195 CO 0.18 0.15 -0.16 -0.04 0.23 0.00 0.00 176.35 176.71 1ur1 s MET 196 N 0.26 1.12 -0.11 1.70 -1.94 -0.08 -0.79 119.30 119.47 1ur1 s MET 196 Ca 0.14 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.24 1ur1 s MET 196 Cb -0.13 -1.15 -0.05 0.00 2.01 0.00 0.00 34.83 35.52 1ur1 s MET 196 CO 0.03 0.29 0.25 -0.47 -0.01 0.00 0.00 175.02 175.10 1ur1 s TYR 197 N -0.74 3.58 -0.02 -0.03 5.04 -0.96 -1.21 117.35 123.00 1ur1 s TYR 197 Ca 0.04 0.65 0.04 0.00 -2.44 0.00 0.00 57.07 55.35 1ur1 s TYR 197 Cb -0.08 -2.15 -0.00 0.00 0.35 0.00 0.00 41.96 40.08 1ur1 s TYR 197 CO 0.01 0.55 -0.13 1.21 -1.34 0.00 0.00 175.55 175.85 1ur1 s ASN 198 N -0.54 1.64 0.19 4.32 2.47 -0.82 0.01 114.94 122.20 1ur1 s ASN 198 Ca 0.17 -0.26 -0.20 0.00 0.42 0.00 0.00 52.86 52.99 1ur1 s ASN 198 Cb -0.13 -0.32 0.05 0.00 -1.45 0.00 0.00 41.25 39.39 1ur1 s ASN 198 CO 0.06 0.14 0.59 -0.62 -3.72 0.00 0.00 177.10 173.54 1ur1 s ASP 199 N -0.09 -0.39 0.20 -4.21 -1.08 -0.69 -0.79 116.67 109.61 1ur1 s ASP 199 Ca 0.01 -0.29 0.06 0.00 -0.52 0.00 0.00 52.55 51.81 1ur1 s ASP 199 Cb -0.08 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1ur1 s ASP 199 CO 0.00 -1.06 0.12 -0.72 0.52 0.00 0.00 175.17 174.03 1ur1 s TYR 200 N -3.82 3.05 -0.08 -5.34 -0.85 -1.26 -1.05 117.35 108.00 1ur1 s TYR 200 Ca 0.06 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1ur1 s TYR 200 Cb -0.02 -1.44 0.00 0.00 0.38 0.00 0.00 41.96 40.89 1ur1 s TYR 200 CO -0.06 0.53 0.00 0.09 -1.52 0.00 0.00 175.55 174.59 1ur1 n ASN 201 N -0.57 -5.09 -0.24 -0.18 3.02 -1.26 -4.83 115.26 106.11 1ur1 n ASN 201 Ca -0.08 0.02 0.11 0.00 -0.03 0.00 0.00 54.58 54.59 1ur1 n ASN 201 Cb 0.56 -2.66 0.51 0.00 -0.61 0.00 0.00 39.78 37.59 1ur1 n ASN 201 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1ur1 n ILE 202 N -2.31 0.08 0.43 2.41 -5.35 -1.26 -2.39 119.36 110.97 1ur1 n ILE 202 Ca -0.01 -0.15 0.11 0.00 -0.27 0.00 0.00 62.75 62.44 1ur1 n ILE 202 Cb 0.36 -0.01 0.46 0.00 -1.74 0.00 0.00 39.64 38.71 1ur1 n ILE 202 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ur1 n GLU 203 N -0.33 0.17 -4.34 6.28 4.71 -1.26 -4.18 120.64 121.69 1ur1 n GLU 203 Ca 0.16 0.38 -0.31 0.00 -0.01 0.00 0.00 57.16 57.38 1ur1 n GLU 203 Cb 0.19 -1.81 -0.10 0.00 -1.01 0.00 0.00 31.44 28.71 1ur1 n GLU 203 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1ur1 s ARG 204 N -3.26 2.49 0.39 3.49 0.52 -1.01 -3.50 118.95 118.07 1ur1 s ARG 204 Ca 0.05 -0.79 -0.27 0.00 -0.52 0.00 0.00 55.73 54.20 1ur1 s ARG 204 Cb 0.10 -2.49 -0.09 0.00 0.52 0.00 0.00 34.95 32.99 1ur1 s ARG 204 CO 0.39 0.57 1.36 0.99 0.02 0.00 0.00 175.30 178.63 1ur1 s THR 205 N -1.11 2.44 0.00 0.02 2.01 -1.26 -1.80 115.64 115.94 1ur1 s THR 205 Ca 0.20 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1ur1 s THR 205 Cb -0.11 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1ur1 s THR 205 CO 0.11 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 1ur1 n GLY 206 N 0.64 2.06 0.18 4.40 0.00 -1.26 -4.71 105.19 106.50 1ur1 n GLY 206 Ca 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 1ur1 n GLY 206 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ur1 h LYS 207 N 0.00 0.20 -0.17 1.61 3.64 -1.81 -2.02 116.57 118.02 1ur1 h LYS 207 Ca 0.00 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1ur1 h LYS 207 Cb 0.00 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1ur1 h LYS 207 CO 0.00 0.67 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.71 1ur1 h ARG 208 N 0.16 0.00 -0.20 1.90 2.43 -1.52 -0.28 114.38 116.87 1ur1 h ARG 208 Ca 0.00 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1ur1 h ARG 208 Cb 0.96 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1ur1 h ARG 208 CO 0.08 0.00 -0.58 0.93 -1.51 0.00 0.00 179.97 178.89 1ur1 h GLU 209 N 0.00 0.65 -0.72 0.20 3.07 -1.75 -0.36 114.58 115.66 1ur1 h GLU 209 Ca 0.08 -0.43 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 1ur1 h GLU 209 Cb 0.12 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1ur1 h GLU 209 CO -0.17 1.04 0.33 0.00 -1.40 0.00 0.00 179.01 178.81 1ur1 h ALA 210 N 0.86 1.23 -0.27 3.43 0.00 -1.22 -1.58 119.26 121.71 1ur1 h ALA 210 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1ur1 h ALA 210 Cb 1.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ur1 h ALA 210 CO 0.11 0.59 -0.18 1.15 0.00 0.00 0.00 179.25 180.92 1ur1 h THR 211 N 1.03 1.30 -0.51 0.00 2.02 -0.60 -2.19 112.91 113.96 1ur1 h THR 211 Ca 0.25 -1.30 0.08 0.00 0.77 0.00 0.00 66.41 66.21 1ur1 h THR 211 Cb 0.13 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 1ur1 h THR 211 CO -0.03 0.41 0.15 0.58 0.37 0.00 0.00 175.52 177.00 1ur1 h VAL 212 N 0.32 0.77 -0.29 3.16 2.07 -0.87 -1.13 116.25 120.29 1ur1 h VAL 212 Ca 0.05 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ur1 h VAL 212 Cb 0.71 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1ur1 h VAL 212 CO 0.05 0.06 0.08 -0.08 0.02 0.00 0.00 177.57 177.69 1ur1 h GLU 213 N 0.31 0.45 -0.25 1.57 4.57 -1.20 0.08 114.58 120.10 1ur1 h GLU 213 Ca 0.25 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1ur1 h GLU 213 Cb 0.31 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1ur1 h GLU 213 CO -0.29 0.53 0.03 1.98 -1.18 0.00 0.00 179.01 180.08 1ur1 h MET 214 N 0.30 0.12 -0.52 1.92 4.05 -1.22 -1.82 114.93 117.75 1ur1 h MET 214 Ca 0.09 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 1ur1 h MET 214 Cb 0.27 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1ur1 h MET 214 CO -0.00 0.08 0.03 0.82 0.23 0.00 0.00 176.91 178.07 1ur1 h ILE 215 N 0.12 1.26 -0.60 1.77 2.04 -1.08 -1.59 117.51 119.44 1ur1 h ILE 215 Ca 0.12 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 65.04 1ur1 h ILE 215 Cb 0.13 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1ur1 h ILE 215 CO -0.17 0.37 0.17 -0.33 0.00 0.00 0.00 178.15 178.19 1ur1 h GLU 216 N 0.78 0.31 0.00 2.37 5.08 -0.70 0.12 114.58 122.54 1ur1 h GLU 216 Ca 0.15 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1ur1 h GLU 216 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ur1 h GLU 216 CO 0.02 0.21 -0.54 0.07 -1.00 0.00 0.00 179.01 177.77 1ur1 h ARG 217 N 0.32 0.00 0.13 2.33 0.11 -1.06 -1.32 114.38 114.89 1ur1 h ARG 217 Ca 0.31 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.10 1ur1 h ARG 217 Cb 0.43 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.53 1ur1 h ARG 217 CO -0.36 0.54 -1.24 -0.07 0.10 0.00 0.00 179.97 178.94 1ur1 h LEU 218 N 0.00 0.70 -1.17 0.08 3.38 -0.53 -2.99 115.31 114.78 1ur1 h LEU 218 Ca -0.01 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.33 1ur1 h LEU 218 Cb 1.10 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1ur1 h LEU 218 CO 0.07 1.50 0.57 1.56 0.09 0.00 0.00 178.44 182.23 1ur1 h GLN 219 N 0.19 1.04 -0.44 1.13 4.20 -0.59 -1.51 115.11 119.13 1ur1 h GLN 219 Ca -0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1ur1 h GLN 219 Cb 1.93 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 29.45 1ur1 h GLN 219 CO 0.22 0.69 0.29 1.57 -0.67 0.00 0.00 178.83 180.93 1ur1 h LYS 220 N 1.07 0.59 0.00 1.46 2.10 -1.24 -0.14 116.57 120.41 1ur1 h LYS 220 Ca 0.35 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1ur1 h LYS 220 Cb 0.05 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1ur1 h LYS 220 CO -0.11 0.41 0.00 0.54 -2.00 0.00 0.00 179.45 178.29 1ur1 n ARG 221 N -4.76 0.03 -0.17 0.07 1.74 -0.85 -4.82 116.66 107.90 1ur1 n ARG 221 Ca 0.01 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1ur1 n ARG 221 Cb 0.03 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1ur1 n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ur1 n GLY 222 N -0.62 0.90 3.72 -0.13 0.00 -0.07 -5.05 105.19 103.95 1ur1 n GLY 222 Ca 0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1ur1 n GLY 222 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ur1 s MET 223 N -0.42 4.26 -0.02 1.61 1.75 -0.63 -4.95 119.30 120.90 1ur1 s MET 223 Ca 0.00 2.26 -0.30 0.00 -1.25 0.00 0.00 55.69 56.40 1ur1 s MET 223 Cb 0.00 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 1ur1 s MET 223 CO 0.00 -0.52 1.22 -1.25 -0.65 0.00 0.00 175.02 173.82 1ur1 s PRO 224 N 0.92 4.36 -0.26 4.11 0.04 -1.26 -4.64 135.00 138.27 1ur1 s PRO 224 Ca 0.67 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 1ur1 s PRO 224 Cb -0.41 -3.52 0.07 0.00 0.04 0.00 0.00 34.50 30.69 1ur1 s PRO 224 CO 0.32 -0.42 0.67 -1.50 0.04 0.00 0.00 177.00 176.11 1ur1 s ILE 225 N 1.99 -0.00 -0.04 0.56 2.07 -1.26 -4.76 121.20 119.75 1ur1 s ILE 225 Ca 0.57 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.87 1ur1 s ILE 225 Cb -0.26 -0.95 -0.07 0.00 0.13 0.00 0.00 42.46 41.30 1ur1 s ILE 225 CO 0.24 0.00 0.05 1.41 -1.91 0.00 0.00 174.94 174.73 1ur1 n HIS 226 N 3.79 0.00 -4.03 3.50 8.25 0.03 -4.98 115.22 121.78 1ur1 n HIS 226 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.20 1ur1 n HIS 226 Cb 0.57 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 1ur1 n HIS 226 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ur1 s GLY 227 N -3.36 0.37 -0.12 -1.41 0.00 -0.55 -1.75 107.32 100.49 1ur1 s GLY 227 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 1ur1 s GLY 227 CO 0.22 -1.11 -0.10 -2.27 0.00 0.00 0.00 173.10 169.84 1ur1 s LEU 228 N -2.66 1.34 -0.27 0.66 1.98 0.52 -2.26 118.68 117.99 1ur1 s LEU 228 Ca 0.03 -0.36 -0.14 0.00 -2.89 0.00 0.00 54.13 50.78 1ur1 s LEU 228 Cb 0.05 -0.94 -0.04 0.00 0.66 0.00 0.00 46.19 45.91 1ur1 s LEU 228 CO -0.08 -0.10 0.31 -0.83 -1.89 0.00 0.00 176.35 173.76 1ur1 s GLY 229 N 1.63 1.91 -0.27 7.98 0.00 0.10 -1.01 107.32 117.67 1ur1 s GLY 229 Ca 0.05 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 1ur1 s GLY 229 CO -0.09 0.85 0.29 -0.42 0.00 0.00 0.00 173.10 173.72 1ur1 s ILE 230 N 1.90 5.24 0.12 0.90 1.01 0.42 -1.71 121.20 129.09 1ur1 s ILE 230 Ca 0.12 0.39 -0.16 0.00 0.00 0.00 0.00 60.65 61.00 1ur1 s ILE 230 Cb -0.16 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1ur1 s ILE 230 CO 0.10 0.22 1.64 1.56 0.00 0.00 0.00 174.94 178.45 1ur1 h GLN 231 N 8.14 0.57 -1.78 2.79 4.20 -1.38 -1.13 115.11 126.52 1ur1 h GLN 231 Ca -0.34 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.15 1ur1 h GLN 231 Cb 1.17 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.90 1ur1 h GLN 231 CO 0.61 0.60 -0.15 0.41 -0.67 0.00 0.00 178.83 179.63 1ur1 n GLY 232 N -0.63 0.50 3.53 3.46 0.00 -1.26 -0.46 105.19 110.33 1ur1 n GLY 232 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1ur1 n GLY 232 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ur1 s HIS 233 N -2.87 2.58 0.18 1.61 3.76 -1.26 -2.47 115.29 116.83 1ur1 s HIS 233 Ca 0.10 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1ur1 s HIS 233 Cb -0.05 -4.58 -0.03 0.00 1.11 0.00 0.00 32.58 29.03 1ur1 s HIS 233 CO 0.13 -1.87 0.32 -0.51 -0.85 0.00 0.00 174.74 171.96 1ur1 s LEU 234 N 4.71 4.31 0.44 0.89 1.43 -0.53 -4.92 118.68 125.01 1ur1 s LEU 234 Ca 0.39 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1ur1 s LEU 234 Cb -0.04 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 1ur1 s LEU 234 CO -0.02 -0.00 0.69 -0.83 0.23 0.00 0.00 176.35 176.42 1ur1 s GLY 235 N -3.45 1.47 0.50 -3.19 0.00 0.40 -1.06 107.32 102.00 1ur1 s GLY 235 Ca 0.35 -0.80 0.16 0.00 0.00 0.00 0.00 44.72 44.43 1ur1 s GLY 235 CO 0.29 -0.66 2.10 1.19 0.00 0.00 0.00 173.10 176.02 1ur1 h ILE 236 N 0.41 1.03 0.00 0.90 6.09 -1.74 -3.31 117.51 120.88 1ur1 h ILE 236 Ca -0.48 -0.23 -0.31 0.00 -1.37 0.00 0.00 64.86 62.48 1ur1 h ILE 236 Cb 1.23 1.13 -0.05 0.00 0.47 0.00 0.00 36.82 39.59 1ur1 h ILE 236 CO 0.60 0.07 -2.06 0.47 -3.07 0.00 0.00 178.15 174.16 1ur1 n ASP 237 N -4.43 1.75 -4.46 2.19 8.00 -1.26 -4.87 116.55 113.47 1ur1 n ASP 237 Ca -0.03 0.13 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 1ur1 n ASP 237 Cb 0.15 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 1ur1 n ASP 237 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ur1 s THR 238 N -2.35 2.54 0.72 -3.53 -4.23 -1.25 -4.36 115.64 103.18 1ur1 s THR 238 Ca -0.26 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.19 1ur1 s THR 238 Cb 0.09 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.73 1ur1 s THR 238 CO 0.36 -0.11 1.08 -2.16 -0.54 0.00 0.00 174.62 173.25 1ur1 s PRO 239 N -2.69 2.73 0.63 3.99 0.04 -1.26 -0.45 135.00 137.99 1ur1 s PRO 239 Ca 0.22 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 1ur1 s PRO 239 Cb -0.08 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1ur1 s PRO 239 CO 0.11 -1.18 1.10 -1.25 0.04 0.00 0.00 177.00 175.82 1ur1 s PRO 240 N -5.17 2.97 0.30 0.56 0.04 -1.26 -4.92 135.00 127.52 1ur1 s PRO 240 Ca 0.59 1.37 0.05 0.00 0.04 0.00 0.00 61.00 63.04 1ur1 s PRO 240 Cb -0.13 -1.97 0.73 0.00 0.04 0.00 0.00 34.50 33.16 1ur1 s PRO 240 CO 0.54 -1.12 1.76 0.82 0.04 0.00 0.00 177.00 179.04 1ur1 h ILE 241 N 0.22 0.65 -0.24 0.56 1.08 -1.97 -1.25 117.51 116.56 1ur1 h ILE 241 Ca -0.47 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1ur1 h ILE 241 Cb 1.24 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1ur1 h ILE 241 CO 0.55 0.12 0.03 0.00 -0.69 0.00 0.00 178.15 178.16 1ur1 h ALA 242 N 1.65 1.61 -0.17 1.87 0.00 -1.99 -0.49 119.26 121.75 1ur1 h ALA 242 Ca 0.57 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.18 1ur1 h ALA 242 Cb 0.94 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ur1 h ALA 242 CO -0.41 0.30 -0.56 0.93 0.00 0.00 0.00 179.25 179.50 1ur1 h GLU 243 N 0.34 0.68 -0.82 0.00 5.08 -1.50 -2.64 114.58 115.73 1ur1 h GLU 243 Ca 0.08 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ur1 h GLU 243 Cb 0.19 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1ur1 h GLU 243 CO 0.00 1.13 0.51 0.82 -1.00 0.00 0.00 179.01 180.47 1ur1 h ILE 244 N 0.37 1.22 -0.43 3.13 2.04 -1.17 -2.29 117.51 120.38 1ur1 h ILE 244 Ca -0.02 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1ur1 h ILE 244 Cb 1.19 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1ur1 h ILE 244 CO 0.12 0.23 0.27 -0.08 0.00 0.00 0.00 178.15 178.68 1ur1 h GLU 245 N 1.12 0.53 -0.82 2.37 4.81 -1.08 -1.29 114.58 120.21 1ur1 h GLU 245 Ca 0.30 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 1ur1 h GLU 245 Cb -0.07 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.13 1ur1 h GLU 245 CO -0.06 0.35 0.53 0.87 -0.73 0.00 0.00 179.01 179.97 1ur1 h LYS 246 N 0.54 0.79 -0.23 1.92 1.57 -1.04 -1.77 116.57 118.35 1ur1 h LYS 246 Ca 0.17 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 1ur1 h LYS 246 Cb -0.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1ur1 h LYS 246 CO -0.06 0.52 -0.54 0.77 -0.57 0.00 0.00 179.45 179.56 1ur1 h SER 247 N 0.81 0.87 -0.42 0.86 0.02 -0.97 -0.42 113.55 114.30 1ur1 h SER 247 Ca 0.37 -0.56 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1ur1 h SER 247 Cb 0.37 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1ur1 h SER 247 CO -0.14 1.27 0.16 0.40 -1.14 0.00 0.00 176.83 177.38 1ur1 h ILE 248 N 0.50 0.89 -0.29 3.27 2.04 -0.77 -0.94 117.51 122.21 1ur1 h ILE 248 Ca -0.00 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1ur1 h ILE 248 Cb 1.16 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1ur1 h ILE 248 CO 0.12 0.06 -0.21 0.40 0.00 0.00 0.00 178.15 178.52 1ur1 h ILE 249 N 0.34 1.30 -0.48 -0.67 2.04 -1.23 -1.90 117.51 116.91 1ur1 h ILE 249 Ca 0.19 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1ur1 h ILE 249 Cb 0.16 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1ur1 h ILE 249 CO -0.18 0.43 0.18 0.00 0.00 0.00 0.00 178.15 178.58 1ur1 h ALA 250 N 0.73 0.62 -0.06 1.87 0.00 -0.85 -2.32 119.26 119.25 1ur1 h ALA 250 Ca 0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1ur1 h ALA 250 Cb 0.76 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ur1 h ALA 250 CO 0.06 0.24 -0.68 0.74 0.00 0.00 0.00 179.25 179.60 1ur1 h PHE 251 N 0.63 0.36 -0.25 0.00 0.04 -1.15 -2.82 116.94 113.75 1ur1 h PHE 251 Ca 0.16 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1ur1 h PHE 251 Cb 0.21 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1ur1 h PHE 251 CO 0.01 0.87 -0.02 0.00 -0.60 0.00 0.00 178.31 178.56 1ur1 h ALA 252 N 1.09 1.49 0.00 2.45 0.00 -1.24 -2.01 119.26 121.05 1ur1 h ALA 252 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ur1 h ALA 252 Cb 1.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ur1 h ALA 252 CO 0.11 0.36 -0.00 0.87 0.00 0.00 0.00 179.25 180.59 1ur1 h LYS 253 N 0.37 0.00 0.00 0.00 1.57 -1.15 -1.15 116.57 116.22 1ur1 h LYS 253 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1ur1 h LYS 253 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ur1 h LYS 253 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1ur1 n LEU 254 N -3.10 0.00 -0.76 2.94 4.77 -0.75 -4.87 117.00 115.23 1ur1 n LEU 254 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1ur1 n LEU 254 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ur1 n LEU 254 CO 0.23 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.85 1ur1 n GLY 255 N 0.67 0.19 3.46 -0.72 0.00 -0.43 -5.04 105.19 103.32 1ur1 n GLY 255 Ca 0.18 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1ur1 n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ur1 s LEU 256 N -1.81 2.64 0.22 0.99 1.43 -1.24 -4.95 118.68 115.96 1ur1 s LEU 256 Ca 0.02 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1ur1 s LEU 256 Cb -0.01 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 1ur1 s LEU 256 CO 0.03 0.28 1.17 -0.13 0.23 0.00 0.00 176.35 177.93 1ur1 s ARG 257 N -1.24 4.54 -0.16 1.70 1.81 -0.72 -4.24 118.95 120.64 1ur1 s ARG 257 Ca 0.14 1.86 -0.12 0.00 -1.72 0.00 0.00 55.73 55.89 1ur1 s ARG 257 Cb -0.11 -3.21 -0.05 0.00 -0.45 0.00 0.00 34.95 31.13 1ur1 s ARG 257 CO 0.04 0.01 0.25 0.08 -0.68 0.00 0.00 175.30 175.00 1ur1 s VAL 258 N -0.50 5.33 0.01 3.52 1.01 -0.68 -0.35 120.40 128.73 1ur1 s VAL 258 Ca 0.50 0.46 0.07 0.00 0.00 0.00 0.00 61.98 63.01 1ur1 s VAL 258 Cb -0.33 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1ur1 s VAL 258 CO 0.39 0.43 -0.23 -1.00 0.00 0.00 0.00 175.10 174.69 1ur1 s HIS 259 N 0.25 2.03 -0.28 5.22 3.76 -0.18 -0.62 115.29 125.48 1ur1 s HIS 259 Ca 0.15 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 1ur1 s HIS 259 Cb -0.13 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1ur1 s HIS 259 CO 0.03 0.02 0.17 -0.06 -0.85 0.00 0.00 174.74 174.05 1ur1 s PHE 260 N -0.63 3.20 -0.04 1.40 0.40 -0.21 -0.44 117.98 121.67 1ur1 s PHE 260 Ca 0.09 0.00 0.11 0.00 -0.60 0.00 0.00 56.93 56.53 1ur1 s PHE 260 Cb -0.09 -2.36 -0.16 0.00 0.51 0.00 0.00 43.02 40.91 1ur1 s PHE 260 CO 0.00 -0.21 0.20 0.25 0.70 0.00 0.00 175.22 176.16 1ur1 n THR 261 N 5.04 0.16 -2.73 0.64 -2.24 -0.43 -0.31 114.28 114.42 1ur1 n THR 261 Ca -0.14 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1ur1 n THR 261 Cb 0.52 0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1ur1 n THR 261 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ur1 n SER 262 N -2.00 0.67 -4.74 3.42 7.64 0.39 -4.58 113.62 114.42 1ur1 n SER 262 Ca -0.05 -2.37 -0.41 0.00 1.01 0.00 0.00 58.87 57.04 1ur1 n SER 262 Cb 0.42 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1ur1 n SER 262 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ur1 s LEU 263 N -3.50 4.40 0.10 -3.43 1.43 0.19 -4.07 118.68 113.82 1ur1 s LEU 263 Ca 0.24 2.56 -0.26 0.00 -1.03 0.00 0.00 54.13 55.65 1ur1 s LEU 263 Cb 0.40 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 43.08 1ur1 s LEU 263 CO -0.03 -0.62 0.80 1.51 0.23 0.00 0.00 176.35 178.24 1ur1 s ASP 264 N 0.28 -0.38 -0.18 2.29 1.47 -1.03 -0.93 116.67 118.18 1ur1 s ASP 264 Ca 0.57 -0.14 0.00 0.00 1.18 0.00 0.00 52.55 54.17 1ur1 s ASP 264 Cb -0.40 0.51 0.04 0.00 -0.34 0.00 0.00 42.92 42.73 1ur1 s ASP 264 CO 0.42 -0.86 -0.08 -0.69 0.68 0.00 0.00 175.17 174.65 1ur1 s VAL 265 N -3.43 1.37 -0.33 2.11 1.01 -0.75 -1.45 120.40 118.93 1ur1 s VAL 265 Ca 0.06 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1ur1 s VAL 265 Cb -0.02 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1ur1 s VAL 265 CO -0.06 0.15 1.02 -0.62 0.00 0.00 0.00 175.10 175.59 1ur1 s ASP 266 N 1.52 6.85 0.00 3.32 -1.08 -0.22 -4.05 116.67 123.00 1ur1 s ASP 266 Ca -0.00 0.91 0.23 0.00 -0.52 0.00 0.00 52.55 53.17 1ur1 s ASP 266 Cb -0.16 -2.52 0.51 0.00 -1.46 0.00 0.00 42.92 39.30 1ur1 s ASP 266 CO -0.08 -0.86 1.45 1.33 0.52 0.00 0.00 175.17 177.54 1ur1 n VAL 267 N 5.88 0.65 -4.04 1.11 0.24 -1.26 -2.09 118.33 118.82 1ur1 n VAL 267 Ca 0.10 -0.81 -0.26 0.00 -2.04 0.00 0.00 64.34 61.33 1ur1 n VAL 267 Cb 0.47 0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 33.60 1ur1 n VAL 267 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ur1 s LEU 268 N -1.33 3.97 0.09 1.34 1.43 -1.26 -5.00 118.68 117.91 1ur1 s LEU 268 Ca 0.42 -0.04 -0.36 0.00 -1.03 0.00 0.00 54.13 53.11 1ur1 s LEU 268 Cb 0.24 -2.56 -0.17 0.00 0.03 0.00 0.00 46.19 43.72 1ur1 s LEU 268 CO 0.32 0.06 1.23 -2.65 0.23 0.00 0.00 176.35 175.54 1ur1 n PRO 269 N -0.45 0.91 -3.20 1.29 -0.02 -1.26 -4.90 135.00 127.36 1ur1 n PRO 269 Ca -0.08 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 1ur1 n PRO 269 Cb 0.55 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 1ur1 n PRO 269 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ur1 s SER 270 N 0.26 7.04 0.00 2.55 0.15 -1.26 -4.97 113.70 117.46 1ur1 s SER 270 Ca 0.83 1.31 0.15 0.00 0.70 0.00 0.00 55.95 58.94 1ur1 s SER 270 Cb -0.99 -2.38 0.28 0.00 -1.71 0.00 0.00 66.02 61.21 1ur1 s SER 270 CO 0.50 0.14 1.17 1.33 1.20 0.00 0.00 173.24 177.58 1ur1 n VAL 271 N 1.12 0.50 1.01 4.45 0.24 -1.26 -4.65 118.33 119.73 1ur1 n VAL 271 Ca -0.06 -0.75 0.13 0.00 -2.04 0.00 0.00 64.34 61.62 1ur1 n VAL 271 Cb 0.51 0.91 0.59 0.00 -1.47 0.00 0.00 33.84 34.39 1ur1 n VAL 271 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1ur1 n TRP 272 N 0.90 0.00 -2.71 6.34 5.03 -1.26 -5.02 117.44 120.72 1ur1 n TRP 272 Ca 0.13 0.00 -0.06 0.00 3.03 0.00 0.00 57.50 60.60 1ur1 n TRP 272 Cb 0.44 -0.44 0.07 0.00 -1.03 0.00 0.00 31.31 30.35 1ur1 n TRP 272 CO 0.00 0.00 0.00 -0.85 -0.03 0.00 0.00 177.69 176.81 1ur1 n GLU 273 N -1.44 1.31 -2.08 -0.99 -0.00 -1.26 -5.24 120.64 110.93 1ur1 n GLU 273 Ca 0.08 -2.76 -0.29 0.00 -0.00 0.00 0.00 57.16 54.19 1ur1 n GLU 273 Cb 0.28 -0.87 0.19 0.00 -0.00 0.00 0.00 31.44 31.04 1ur1 n GLU 273 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ur1 s GLU 278 N -2.17 0.59 0.66 3.44 -6.30 -1.26 -5.16 118.70 108.50 1ur1 s GLU 278 Ca 0.24 -0.68 0.39 0.00 -2.50 0.00 0.00 54.97 52.42 1ur1 s GLU 278 Cb 0.42 -1.93 2.14 0.00 0.00 0.00 0.00 34.13 34.76 1ur1 s GLU 278 CO -0.02 -2.38 2.23 -0.24 0.02 0.00 0.00 175.26 174.86 1ur1 h VAL 279 N -1.53 0.06 0.00 3.70 3.04 -2.00 -1.12 116.25 118.41 1ur1 h VAL 279 Ca -0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1ur1 h VAL 279 Cb 1.22 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1ur1 h VAL 279 CO 0.33 0.00 -0.86 -0.24 -1.01 0.00 0.00 177.57 175.79 1ur1 n SER 280 N -3.13 0.85 -0.44 3.17 2.88 -1.26 -4.20 113.62 111.50 1ur1 n SER 280 Ca -0.02 -0.69 0.08 0.00 -1.33 0.00 0.00 58.87 56.90 1ur1 n SER 280 Cb 0.17 1.12 0.02 0.00 -0.75 0.00 0.00 64.21 64.78 1ur1 n SER 280 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ur1 n THR 281 N -1.46 0.00 0.32 2.46 -2.24 -0.88 -4.62 114.28 107.85 1ur1 n THR 281 Ca 0.02 -0.39 0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1ur1 n THR 281 Cb 0.25 1.23 1.07 0.00 -2.10 0.00 0.00 70.33 70.79 1ur1 n THR 281 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1ur1 h ARG 282 N 2.14 0.00 -0.20 -0.78 0.11 -1.39 -1.01 114.38 113.24 1ur1 h ARG 282 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ur1 h ARG 282 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1ur1 h ARG 282 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 1ur1 n PHE 283 N -3.01 0.25 -2.94 4.08 3.72 -1.26 -4.86 117.46 113.43 1ur1 n PHE 283 Ca -0.02 -0.12 -0.34 0.00 -0.05 0.00 0.00 57.45 56.91 1ur1 n PHE 283 Cb 0.11 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1ur1 n PHE 283 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1ur1 s GLU 284 N -1.75 4.23 0.08 -1.08 -1.05 -0.39 -4.53 118.70 114.20 1ur1 s GLU 284 Ca 0.35 0.99 -0.31 0.00 -0.15 0.00 0.00 54.97 55.85 1ur1 s GLU 284 Cb 0.20 -2.45 -0.08 0.00 -0.44 0.00 0.00 34.13 31.36 1ur1 s GLU 284 CO 0.30 0.13 1.56 -0.47 0.95 0.00 0.00 175.26 177.73 1ur1 s TYR 285 N -1.94 2.72 -0.01 4.83 5.04 -1.26 -5.00 117.35 121.73 1ur1 s TYR 285 Ca 0.55 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.75 1ur1 s TYR 285 Cb -0.12 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1ur1 s TYR 285 CO 0.17 -3.33 -0.06 0.15 -1.34 0.00 0.00 175.55 171.14 1ur1 s LYS 286 N 2.14 0.64 0.32 4.97 1.02 -1.26 -5.07 119.74 122.50 1ur1 s LYS 286 Ca 0.70 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.50 1ur1 s LYS 286 Cb -0.38 -0.62 0.63 0.00 -0.52 0.00 0.00 37.83 36.93 1ur1 s LYS 286 CO 0.31 0.10 1.91 -1.00 -0.92 0.00 0.00 175.35 175.74 1ur1 h PRO 287 N 6.25 0.88 0.00 -1.68 0.13 -1.95 -1.08 132.00 134.56 1ur1 h PRO 287 Ca -0.31 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ur1 h PRO 287 Cb 1.18 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ur1 h PRO 287 CO 0.49 0.58 -0.01 0.93 -0.23 0.00 0.00 178.00 179.77 1ur1 h GLU 288 N 0.91 0.00 -0.05 0.86 3.07 -2.01 -0.68 114.58 116.68 1ur1 h GLU 288 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1ur1 h GLU 288 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1ur1 h GLU 288 CO -0.16 0.01 0.00 0.54 -1.40 0.00 0.00 179.01 178.00 1ur1 n ARG 289 N -3.21 1.78 -3.21 2.33 1.74 -0.41 -4.39 116.66 111.28 1ur1 n ARG 289 Ca -0.02 -1.14 -0.24 0.00 -0.77 0.00 0.00 57.85 55.68 1ur1 n ARG 289 Cb 0.12 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 1ur1 n ARG 289 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ur1 n ASP 290 N 0.38 1.81 -0.10 0.55 2.03 -0.26 -4.27 116.55 116.69 1ur1 n ASP 290 Ca 0.18 -3.09 0.14 0.00 0.52 0.00 0.00 54.79 52.54 1ur1 n ASP 290 Cb 0.39 -0.63 0.57 0.00 -0.72 0.00 0.00 41.12 40.73 1ur1 n ASP 290 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ur1 n PRO 291 N 0.80 0.55 -1.33 -0.67 -0.04 -1.25 -4.05 135.00 129.02 1ur1 n PRO 291 Ca 0.25 -0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1ur1 n PRO 291 Cb 0.51 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 1ur1 n PRO 291 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ur1 n TYR 292 N -1.06 1.57 0.28 0.54 4.01 -1.26 -4.75 117.16 116.49 1ur1 n TYR 292 Ca 0.13 -1.92 0.14 0.00 -0.16 0.00 0.00 57.90 56.09 1ur1 n TYR 292 Cb 0.29 -0.38 0.82 0.00 -0.31 0.00 0.00 39.34 39.77 1ur1 n TYR 292 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1ur1 h THR 293 N 1.55 0.49 -0.01 -0.72 1.35 -1.85 -2.31 112.91 111.41 1ur1 h THR 293 Ca 0.23 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1ur1 h THR 293 Cb 1.33 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1ur1 h THR 293 CO 0.48 0.07 -0.24 0.29 -0.25 0.00 0.00 175.52 175.86 1ur1 n LYS 294 N -3.64 0.93 0.00 4.72 5.02 -1.26 -5.01 118.16 118.92 1ur1 n LYS 294 Ca -0.02 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1ur1 n LYS 294 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ur1 n LYS 294 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ur1 n GLY 295 N 1.33 4.47 3.63 0.72 0.00 -0.87 -5.07 105.19 109.39 1ur1 n GLY 295 Ca 0.13 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 1ur1 n GLY 295 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ur1 s LEU 296 N 0.00 4.07 0.65 0.99 2.96 -1.26 -4.67 118.68 121.42 1ur1 s LEU 296 Ca 0.00 0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 54.37 1ur1 s LEU 296 Cb 0.00 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 1ur1 s LEU 296 CO 0.00 -0.30 1.17 -2.16 -1.32 0.00 0.00 176.35 173.74 1ur1 s PRO 297 N 2.26 2.70 0.34 0.98 0.04 -1.26 -4.71 135.00 135.35 1ur1 s PRO 297 Ca 0.24 1.66 0.09 0.00 0.04 0.00 0.00 61.00 63.03 1ur1 s PRO 297 Cb -0.16 -1.91 0.83 0.00 0.04 0.00 0.00 34.50 33.30 1ur1 s PRO 297 CO 0.09 -1.38 1.81 0.37 0.04 0.00 0.00 177.00 177.94 1ur1 h GLN 298 N 0.31 0.66 -0.71 4.56 5.75 -1.98 0.29 115.11 123.99 1ur1 h GLN 298 Ca -0.48 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 1ur1 h GLN 298 Cb 1.28 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1ur1 h GLN 298 CO 0.53 0.44 0.39 1.05 -2.65 0.00 0.00 178.83 178.59 1ur1 h GLU 299 N 0.68 0.97 -0.01 1.69 -0.00 -2.00 0.76 114.58 116.68 1ur1 h GLU 299 Ca 0.53 -0.10 -0.18 0.00 -0.00 0.00 0.00 59.36 59.61 1ur1 h GLU 299 Cb 0.92 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.46 1ur1 h GLU 299 CO -0.29 0.71 -0.79 0.52 -0.00 0.00 0.00 179.01 179.16 1ur1 h MET 300 N 0.98 0.15 -0.68 1.06 2.86 -1.33 -2.17 114.93 115.79 1ur1 h MET 300 Ca 0.25 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1ur1 h MET 300 Cb 0.02 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 1ur1 h MET 300 CO -0.04 0.86 0.40 1.96 1.06 0.00 0.00 176.91 181.16 1ur1 h GLN 301 N 0.09 0.74 -0.43 1.72 4.20 -0.50 0.11 115.11 121.05 1ur1 h GLN 301 Ca -0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1ur1 h GLN 301 Cb 1.38 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1ur1 h GLN 301 CO 0.12 0.49 0.19 -0.44 -0.67 0.00 0.00 178.83 178.52 1ur1 h ASP 302 N 0.76 0.58 -0.60 1.46 3.32 -0.68 -0.51 116.42 120.75 1ur1 h ASP 302 Ca 0.29 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1ur1 h ASP 302 Cb 0.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1ur1 h ASP 302 CO -0.15 0.56 0.33 0.11 -1.72 0.00 0.00 179.24 178.37 1ur1 h LYS 303 N 0.55 0.84 -0.66 3.56 1.57 -0.99 -0.44 116.57 120.99 1ur1 h LYS 303 Ca 0.15 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1ur1 h LYS 303 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1ur1 h LYS 303 CO -0.02 0.63 0.24 1.25 -0.57 0.00 0.00 179.45 180.99 1ur1 h LEU 304 N 0.81 0.93 -0.69 2.94 5.85 -0.83 -0.91 115.31 123.41 1ur1 h LEU 304 Ca 0.21 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1ur1 h LEU 304 Cb 0.04 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1ur1 h LEU 304 CO -0.03 0.87 0.15 0.00 -0.34 0.00 0.00 178.44 179.08 1ur1 h ALA 305 N 1.10 0.91 -0.41 1.25 0.00 -0.62 -1.41 119.26 120.08 1ur1 h ALA 305 Ca 0.22 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1ur1 h ALA 305 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ur1 h ALA 305 CO -0.01 0.65 -0.28 -0.22 0.00 0.00 0.00 179.25 179.39 1ur1 h LYS 306 N 1.05 0.88 -0.12 0.00 1.63 -0.84 -0.25 116.57 118.92 1ur1 h LYS 306 Ca 0.21 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1ur1 h LYS 306 Cb 0.40 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1ur1 h LYS 306 CO 0.01 1.05 0.07 -0.09 -3.45 0.00 0.00 179.45 177.03 1ur1 h ARG 307 N 0.75 0.16 -0.68 1.90 9.65 -0.88 0.40 114.38 125.68 1ur1 h ARG 307 Ca 0.09 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1ur1 h ARG 307 Cb 0.84 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 1ur1 h ARG 307 CO 0.07 0.16 0.23 1.88 2.80 0.00 0.00 179.97 185.10 1ur1 h TYR 308 N 0.12 1.06 -0.48 2.20 0.05 -1.17 -1.92 116.97 116.82 1ur1 h TYR 308 Ca 0.04 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1ur1 h TYR 308 Cb 0.04 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 1ur1 h TYR 308 CO -0.05 0.83 0.27 1.49 -1.05 0.00 0.00 178.16 179.64 1ur1 h GLU 309 N 1.00 0.67 -0.58 4.88 4.81 -0.72 -0.50 114.58 124.13 1ur1 h GLU 309 Ca 0.22 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1ur1 h GLU 309 Cb 0.26 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 1ur1 h GLU 309 CO -0.01 0.52 0.31 -0.44 -0.73 0.00 0.00 179.01 178.66 1ur1 h ASP 310 N 0.63 0.45 -0.15 1.04 3.32 -0.71 -0.42 116.42 120.59 1ur1 h ASP 310 Ca 0.17 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1ur1 h ASP 310 Cb 0.04 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1ur1 h ASP 310 CO -0.03 0.30 0.04 -0.07 -1.72 0.00 0.00 179.24 177.76 1ur1 h LEU 311 N 0.59 0.22 -1.06 1.55 3.38 -0.95 -2.63 115.31 116.40 1ur1 h LEU 311 Ca 0.26 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ur1 h LEU 311 Cb 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ur1 h LEU 311 CO -0.17 0.38 -0.27 -0.26 0.09 0.00 0.00 178.44 178.21 1ur1 h PHE 312 N 0.05 0.00 -0.50 1.13 -1.00 -0.88 -1.60 116.94 114.14 1ur1 h PHE 312 Ca 0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1ur1 h PHE 312 Cb 0.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1ur1 h PHE 312 CO 0.00 0.27 0.28 0.87 -1.61 0.00 0.00 178.31 178.13 1ur1 h LYS 313 N 0.00 0.70 -0.59 1.51 1.57 -0.93 -0.17 116.57 118.66 1ur1 h LYS 313 Ca -0.00 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1ur1 h LYS 313 Cb 0.79 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1ur1 h LYS 313 CO 0.04 0.54 0.36 1.25 -0.57 0.00 0.00 179.45 181.07 1ur1 h LEU 314 N 0.67 0.60 -0.57 2.94 5.85 -1.06 -1.22 115.31 122.51 1ur1 h LEU 314 Ca 0.18 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1ur1 h LEU 314 Cb 0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ur1 h LEU 314 CO -0.03 0.42 0.01 -0.26 -0.34 0.00 0.00 178.44 178.24 1ur1 h PHE 315 N 0.72 1.09 -0.60 1.25 0.04 -0.95 -1.79 116.94 116.70 1ur1 h PHE 315 Ca 0.23 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1ur1 h PHE 315 Cb 0.00 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1ur1 h PHE 315 CO -0.05 0.97 0.32 0.82 -0.60 0.00 0.00 178.31 179.77 1ur1 h ILE 316 N 0.89 1.20 -1.00 -0.55 2.04 -0.83 -0.76 117.51 118.50 1ur1 h ILE 316 Ca 0.16 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.62 1ur1 h ILE 316 Cb 0.53 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1ur1 h ILE 316 CO 0.03 0.22 0.63 0.50 0.00 0.00 0.00 178.15 179.53 1ur1 h LYS 317 N 0.81 0.98 -0.61 2.37 3.64 -0.59 -2.35 116.57 120.83 1ur1 h LYS 317 Ca 0.21 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 59.19 1ur1 h LYS 317 Cb 0.07 -0.22 -0.20 0.00 -0.41 0.00 0.00 32.23 31.46 1ur1 h LYS 317 CO -0.03 0.65 0.14 0.72 -2.27 0.00 0.00 179.45 178.66 1ur1 n HIS 318 N -4.60 1.92 0.25 1.91 8.25 -0.73 -4.71 115.22 117.50 1ur1 n HIS 318 Ca 0.19 -1.86 0.13 0.00 -0.26 0.00 0.00 57.72 55.92 1ur1 n HIS 318 Cb 0.34 -0.69 0.77 0.00 1.12 0.00 0.00 29.99 31.53 1ur1 n HIS 318 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ur1 h SER 319 N 1.18 0.00 0.28 0.41 4.64 -0.59 0.14 113.55 119.62 1ur1 h SER 319 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1ur1 h SER 319 Cb 1.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.98 1ur1 h SER 319 CO 0.72 0.00 -0.06 -2.24 -0.87 0.00 0.00 176.83 174.37 1ur1 h ASP 320 N 0.00 0.00 0.00 4.97 2.03 -1.85 -2.95 116.42 118.62 1ur1 h ASP 320 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1ur1 h ASP 320 Cb 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1ur1 h ASP 320 CO -0.00 0.06 -1.32 0.29 -1.03 0.00 0.00 179.24 177.24 1ur1 n LYS 321 N -3.55 0.48 -4.40 4.15 5.02 0.02 -4.97 118.16 114.91 1ur1 n LYS 321 Ca -0.02 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 1ur1 n LYS 321 Cb 0.18 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 1ur1 n LYS 321 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ur1 s ILE 322 N -3.10 3.37 -0.13 -0.18 1.01 -1.12 -1.68 121.20 119.37 1ur1 s ILE 322 Ca 0.02 -0.53 0.19 0.00 0.00 0.00 0.00 60.65 60.32 1ur1 s ILE 322 Cb 0.14 -2.47 -0.16 0.00 0.01 0.00 0.00 42.46 39.98 1ur1 s ILE 322 CO 0.84 0.49 0.70 0.47 0.00 0.00 0.00 174.94 177.43 1ur1 n ASP 323 N 3.92 0.61 -3.62 3.58 9.92 0.21 -4.66 116.55 126.51 1ur1 n ASP 323 Ca -0.18 0.26 -0.12 0.00 -0.53 0.00 0.00 54.79 54.22 1ur1 n ASP 323 Cb 0.52 0.60 -0.07 0.00 -0.64 0.00 0.00 41.12 41.53 1ur1 n ASP 323 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ur1 s ARG 324 N -3.02 0.69 -0.24 -1.24 3.52 -1.26 -1.45 118.95 115.95 1ur1 s ARG 324 Ca -0.04 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 1ur1 s ARG 324 Cb 0.09 0.33 0.07 0.00 -1.56 0.00 0.00 34.95 33.88 1ur1 s ARG 324 CO 0.83 -0.11 -0.03 0.00 -0.81 0.00 0.00 175.30 175.18 1ur1 s ALA 325 N 0.02 1.90 -0.15 6.12 0.00 0.12 -1.05 121.76 128.72 1ur1 s ALA 325 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1ur1 s ALA 325 Cb -0.04 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1ur1 s ALA 325 CO -0.01 -1.25 -0.02 0.99 0.00 0.00 0.00 175.76 175.46 1ur1 s THR 326 N 1.42 4.04 0.14 0.00 2.01 0.58 -0.85 115.64 122.97 1ur1 s THR 326 Ca -0.03 -0.31 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 1ur1 s THR 326 Cb -0.19 -2.77 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 1ur1 s THR 326 CO -0.08 0.49 0.62 -0.36 -0.69 0.00 0.00 174.62 174.61 1ur1 s PHE 327 N 0.29 3.72 -1.39 4.92 0.40 -0.09 -0.63 117.98 125.20 1ur1 s PHE 327 Ca -0.02 1.28 -0.09 0.00 -0.60 0.00 0.00 56.93 57.49 1ur1 s PHE 327 Cb -0.14 -2.52 0.08 0.00 0.51 0.00 0.00 43.02 40.96 1ur1 s PHE 327 CO 0.02 0.48 2.32 1.87 0.70 0.00 0.00 175.22 180.61 1ur1 n TRP 328 N 1.22 2.81 0.00 0.36 -0.00 -0.11 -1.08 117.44 120.64 1ur1 n TRP 328 Ca -0.07 -2.89 0.00 0.00 -0.00 0.00 0.00 57.50 54.54 1ur1 n TRP 328 Cb 0.51 -2.12 0.00 0.00 -0.00 0.00 0.00 31.31 29.70 1ur1 n TRP 328 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ur1 n GLY 329 N 2.80 3.14 0.12 5.87 0.00 -1.23 -4.64 105.19 111.25 1ur1 n GLY 329 Ca 0.57 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 1ur1 n GLY 329 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ur1 n VAL 330 N -1.58 1.49 -4.42 1.61 0.31 -1.26 -4.53 118.33 109.96 1ur1 n VAL 330 Ca 0.00 0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.09 1ur1 n VAL 330 Cb 0.00 -2.22 -0.11 0.00 -0.91 0.00 0.00 33.84 30.60 1ur1 n VAL 330 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ur1 s SER 331 N -6.31 3.32 0.56 4.52 1.04 -1.26 -3.70 113.70 111.87 1ur1 s SER 331 Ca -0.31 -0.91 0.25 0.00 0.48 0.00 0.00 55.95 55.46 1ur1 s SER 331 Cb 0.07 -0.25 1.58 0.00 0.10 0.00 0.00 66.02 67.52 1ur1 s SER 331 CO 0.44 0.06 2.16 0.44 0.98 0.00 0.00 173.24 177.32 1ur1 h ASP 332 N 2.95 0.00 0.58 7.02 3.32 -1.20 -1.17 116.42 127.93 1ur1 h ASP 332 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1ur1 h ASP 332 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ur1 h ASP 332 CO 0.52 0.00 0.00 -2.24 -1.72 0.00 0.00 179.24 175.80 1ur1 h ASP 333 N 0.00 0.00 -0.05 6.45 2.03 -1.85 -3.05 116.42 119.95 1ur1 h ASP 333 Ca 0.04 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.33 1ur1 h ASP 333 Cb 0.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1ur1 h ASP 333 CO -0.00 0.00 -0.26 0.00 -1.03 0.00 0.00 179.24 177.95 1ur1 n ALA 334 N -2.03 3.21 -2.31 4.15 0.00 -0.44 -5.03 120.51 118.06 1ur1 n ALA 334 Ca -0.01 -3.00 -0.39 0.00 0.00 0.00 0.00 53.44 50.04 1ur1 n ALA 334 Cb 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 1ur1 n ALA 334 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ur1 s SER 335 N -2.97 7.18 0.65 0.00 0.15 -1.15 -4.89 113.70 112.66 1ur1 s SER 335 Ca 0.37 1.40 0.42 0.00 0.70 0.00 0.00 55.95 58.84 1ur1 s SER 335 Cb 0.34 -2.43 2.25 0.00 -1.71 0.00 0.00 66.02 64.46 1ur1 s SER 335 CO -0.02 0.12 2.31 4.11 1.20 0.00 0.00 173.24 180.96 1ur1 h TRP 336 N 5.19 0.00 0.00 3.44 5.08 -1.93 -2.12 115.95 125.61 1ur1 h TRP 336 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1ur1 h TRP 336 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1ur1 h TRP 336 CO 0.65 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 179.10 1ur1 n LEU 337 N -3.13 0.31 0.21 0.11 4.77 -1.26 -1.49 117.00 116.52 1ur1 n LEU 337 Ca -0.02 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.56 1ur1 n LEU 337 Cb 0.11 -0.48 0.48 0.00 -2.33 0.00 0.00 43.42 41.19 1ur1 n LEU 337 CO 0.22 -0.23 0.83 0.78 -1.33 0.00 0.00 177.39 177.65 1ur1 h ASN 338 N 0.00 0.00 -0.01 -1.43 2.35 -1.64 -3.30 115.58 111.55 1ur1 h ASN 338 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ur1 h ASN 338 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1ur1 h ASN 338 CO 0.00 0.26 -0.01 0.61 -1.65 0.00 0.00 177.43 176.64 1ur1 n GLY 339 N -0.65 -0.78 2.88 2.83 0.00 -0.74 -0.28 105.19 108.44 1ur1 n GLY 339 Ca -0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1ur1 n GLY 339 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ur1 s PHE 340 N -0.57 0.50 -2.40 1.61 5.36 -0.56 -3.28 117.98 118.65 1ur1 s PHE 340 Ca 0.07 -0.10 0.28 0.00 -0.96 0.00 0.00 56.93 56.22 1ur1 s PHE 340 Cb 0.05 -0.46 1.15 0.00 -0.34 0.00 0.00 43.02 43.42 1ur1 s PHE 340 CO 0.09 -0.11 1.80 -0.35 -1.46 0.00 0.00 175.22 175.18 1ur1 n PRO 341 N 3.75 1.56 -4.68 10.12 -0.04 -1.26 -4.35 135.00 140.11 1ur1 n PRO 341 Ca -0.23 -0.82 -0.33 0.00 -0.04 0.00 0.00 63.50 62.09 1ur1 n PRO 341 Cb 0.53 -1.47 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 1ur1 n PRO 341 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ur1 s ILE 342 N -1.98 2.15 0.40 0.52 1.01 -1.25 -4.84 121.20 117.21 1ur1 s ILE 342 Ca 0.39 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 1ur1 s ILE 342 Cb 0.21 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.72 1ur1 s ILE 342 CO 0.33 0.55 1.37 -2.84 0.00 0.00 0.00 174.94 174.35 1ur1 s PRO 343 N 0.79 3.99 -0.13 2.79 0.02 -1.21 -3.79 135.00 137.47 1ur1 s PRO 343 Ca -0.07 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1ur1 s PRO 343 Cb -0.16 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1ur1 s PRO 343 CO -0.01 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1ur1 n GLY 344 N 0.62 0.47 3.93 0.52 0.00 -1.15 -4.78 105.19 104.80 1ur1 n GLY 344 Ca 0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1ur1 n GLY 344 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ur1 s ARG 345 N -2.12 2.31 -0.46 1.61 0.52 0.61 -5.03 118.95 116.39 1ur1 s ARG 345 Ca 0.00 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1ur1 s ARG 345 Cb 0.00 -2.21 0.12 0.00 0.52 0.00 0.00 34.95 33.39 1ur1 s ARG 345 CO 0.00 -1.14 0.24 0.99 0.02 0.00 0.00 175.30 175.42 1ur1 s THR 346 N -3.18 3.20 0.42 0.02 2.01 -1.26 -4.62 115.64 112.24 1ur1 s THR 346 Ca 0.59 -2.40 0.08 0.00 0.31 0.00 0.00 61.69 60.27 1ur1 s THR 346 Cb -0.11 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1ur1 s THR 346 CO 0.44 -0.73 0.53 0.21 -0.69 0.00 0.00 174.62 174.38 1ur1 s ASN 347 N 1.28 5.48 -0.36 3.53 3.84 -1.26 -4.71 114.94 122.74 1ur1 s ASN 347 Ca 0.11 -0.52 0.13 0.00 0.21 0.00 0.00 52.86 52.80 1ur1 s ASN 347 Cb -0.22 -0.61 0.38 0.00 -0.55 0.00 0.00 41.25 40.25 1ur1 s ASN 347 CO -0.04 -0.75 0.79 -1.22 -2.79 0.00 0.00 177.10 173.08 1ur1 n TYR 348 N -1.78 0.47 1.05 0.43 4.02 -1.26 -4.91 117.16 115.18 1ur1 n TYR 348 Ca 0.07 -3.58 0.12 0.00 -0.01 0.00 0.00 57.90 54.50 1ur1 n TYR 348 Cb 0.60 -0.41 0.24 0.00 -0.02 0.00 0.00 39.34 39.75 1ur1 n TYR 348 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1ur1 n PRO 349 N 0.19 0.21 -2.75 -0.72 -0.02 -1.26 -4.81 135.00 125.84 1ur1 n PRO 349 Ca 0.21 -0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1ur1 n PRO 349 Cb 0.69 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 1ur1 n PRO 349 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ur1 n LEU 350 N -1.29 0.00 0.04 2.45 4.77 -1.26 -1.81 117.00 119.90 1ur1 n LEU 350 Ca 0.07 -1.01 0.12 0.00 -0.03 0.00 0.00 56.01 55.16 1ur1 n LEU 350 Cb 0.34 0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.67 1ur1 n LEU 350 CO 0.34 -0.18 0.29 0.18 -1.33 0.00 0.00 177.39 176.68 1ur1 n LEU 351 N 0.00 0.65 -4.22 2.23 4.77 -1.26 -4.84 117.00 114.32 1ur1 n LEU 351 Ca -0.06 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 1ur1 n LEU 351 Cb 0.21 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 1ur1 n LEU 351 CO 0.11 -0.01 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.27 1ur1 s PHE 352 N -3.15 2.09 0.89 -1.77 0.08 -1.24 -0.96 117.98 113.92 1ur1 s PHE 352 Ca 0.06 -0.55 -0.15 0.00 0.12 0.00 0.00 56.93 56.41 1ur1 s PHE 352 Cb 0.14 -1.37 0.21 0.00 -0.57 0.00 0.00 43.02 41.43 1ur1 s PHE 352 CO 0.73 -0.15 1.22 -0.40 -0.10 0.00 0.00 175.22 176.52 1ur1 n ASP 353 N 2.88 0.11 0.07 1.36 5.68 -0.04 -0.96 116.55 125.66 1ur1 n ASP 353 Ca -0.17 -1.45 0.07 0.00 -0.50 0.00 0.00 54.79 52.74 1ur1 n ASP 353 Cb 0.52 -0.93 0.35 0.00 -1.14 0.00 0.00 41.12 39.92 1ur1 n ASP 353 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ur1 n ARG 354 N -3.57 0.08 -0.51 0.11 1.74 -1.26 -0.87 116.66 112.37 1ur1 n ARG 354 Ca 0.15 0.45 0.10 0.00 -0.77 0.00 0.00 57.85 57.78 1ur1 n ARG 354 Cb 0.53 -1.70 0.33 0.00 -1.02 0.00 0.00 32.46 30.60 1ur1 n ARG 354 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ur1 n LYS 355 N -1.87 3.39 -1.17 5.56 5.02 -1.26 -4.84 118.16 123.00 1ur1 n LYS 355 Ca 0.01 -2.77 -0.06 0.00 -2.02 0.00 0.00 58.31 53.48 1ur1 n LYS 355 Cb 0.11 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 1ur1 n LYS 355 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ur1 n LEU 356 N 1.13 -0.10 -4.79 -0.35 4.77 -0.05 -5.01 117.00 112.59 1ur1 n LEU 356 Ca 0.24 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.98 1ur1 n LEU 356 Cb 0.79 -1.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 1ur1 n LEU 356 CO 0.20 -0.62 0.42 -1.10 -1.33 0.00 0.00 177.39 174.96 1ur1 s GLN 357 N -2.05 4.40 0.32 3.23 -1.52 -1.26 -4.71 119.66 118.07 1ur1 s GLN 357 Ca 0.00 0.99 -0.29 0.00 -1.95 0.00 0.00 55.36 54.10 1ur1 s GLN 357 Cb 0.00 -3.16 -0.11 0.00 -0.22 0.00 0.00 33.01 29.52 1ur1 s GLN 357 CO 0.00 0.55 1.49 -1.25 -0.25 0.00 0.00 175.29 175.82 1ur1 s PRO 358 N -1.34 4.18 0.60 2.91 0.04 -1.26 -0.86 135.00 139.26 1ur1 s PRO 358 Ca 0.36 2.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.83 1ur1 s PRO 358 Cb -0.21 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1ur1 s PRO 358 CO 0.23 -0.49 0.89 0.15 0.04 0.00 0.00 177.00 177.82 1ur1 s LYS 359 N -1.25 2.75 0.34 4.56 1.02 -0.13 -4.86 119.74 122.17 1ur1 s LYS 359 Ca 0.57 -0.17 0.08 0.00 0.02 0.00 0.00 55.97 56.47 1ur1 s LYS 359 Cb -0.45 -2.30 0.80 0.00 -0.52 0.00 0.00 37.83 35.36 1ur1 s LYS 359 CO 0.53 -0.77 1.82 -0.44 -0.92 0.00 0.00 175.35 175.58 1ur1 h ASP 360 N -0.19 0.70 -0.98 2.83 5.19 -1.88 -0.33 116.42 121.76 1ur1 h ASP 360 Ca -0.45 0.06 0.13 0.00 -0.62 0.00 0.00 57.03 56.16 1ur1 h ASP 360 Cb 1.27 -0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.62 1ur1 h ASP 360 CO 0.60 0.30 0.60 0.00 -3.12 0.00 0.00 179.24 177.62 1ur1 h ALA 361 N 1.61 1.50 -0.32 3.45 0.00 -1.87 -2.20 119.26 121.43 1ur1 h ALA 361 Ca 0.51 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.52 1ur1 h ALA 361 Cb 0.85 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1ur1 h ALA 361 CO -0.28 0.14 -0.01 -0.92 0.00 0.00 0.00 179.25 178.19 1ur1 h TYR 362 N 0.91 -0.03 -0.32 0.00 3.20 -1.27 -2.01 116.97 117.45 1ur1 h TYR 362 Ca 0.50 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.31 1ur1 h TYR 362 Cb 0.57 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1ur1 h TYR 362 CO -0.02 -0.06 -0.17 0.74 -1.64 0.00 0.00 178.16 177.01 1ur1 h PHE 363 N 0.09 0.64 -0.74 -3.82 0.04 -1.42 -1.52 116.94 110.21 1ur1 h PHE 363 Ca 0.15 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 1ur1 h PHE 363 Cb 0.21 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1ur1 h PHE 363 CO -0.24 0.72 0.31 0.00 -0.60 0.00 0.00 178.31 178.50 1ur1 h ARG 364 N 0.52 1.08 -0.48 1.51 2.47 -1.18 -0.86 114.38 117.45 1ur1 h ARG 364 Ca 0.09 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 1ur1 h ARG 364 Cb 0.59 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1ur1 h ARG 364 CO 0.04 0.86 -0.02 -0.07 0.56 0.00 0.00 179.97 181.34 1ur1 h LEU 365 N 1.06 0.85 -0.52 3.04 4.07 -0.71 -2.49 115.31 120.62 1ur1 h LEU 365 Ca 0.25 -0.32 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1ur1 h LEU 365 Cb 0.17 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1ur1 h LEU 365 CO -0.02 0.96 0.21 -0.07 -1.08 0.00 0.00 178.44 178.43 1ur1 h LEU 366 N 0.71 0.71 -1.57 1.67 3.38 -1.02 -3.06 115.31 116.13 1ur1 h LEU 366 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ur1 h LEU 366 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ur1 h LEU 366 CO 0.03 0.68 0.04 0.44 0.09 0.00 0.00 178.44 179.72 1ur1 h ASP 367 N 0.69 0.29 -0.66 -0.43 3.32 -0.97 -0.27 116.42 118.40 1ur1 h ASP 367 Ca 0.17 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1ur1 h ASP 367 Cb 0.19 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1ur1 h ASP 367 CO -0.01 0.31 0.43 -0.07 -1.72 0.00 0.00 179.24 178.18 1ur1 h LEU 368 N 0.32 0.53 0.09 1.55 3.38 -1.34 -1.84 115.31 118.00 1ur1 h LEU 368 Ca 0.08 0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 1ur1 h LEU 368 Cb 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ur1 h LEU 368 CO -0.00 0.33 -1.94 0.29 0.09 0.00 0.00 178.44 177.21 1ur1 n LYS 369 N -4.48 0.72 -0.08 1.13 4.76 -0.73 -3.39 118.16 116.10 1ur1 n LYS 369 Ca 0.10 0.26 -0.02 0.00 -2.87 0.00 0.00 58.31 55.78 1ur1 n LYS 369 Cb 0.28 -1.72 0.23 0.00 -1.84 0.00 0.00 35.03 31.97 1ur1 n LYS 369 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ur1 h ARG 370 N 0.05 0.71 -0.58 1.97 -0.00 -0.80 -2.60 114.38 113.13 1ur1 h ARG 370 Ca -0.39 -0.15 0.00 0.00 -0.50 0.00 0.00 59.98 58.93 1ur1 h ARG 370 Cb 2.03 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 31.90 1ur1 h ARG 370 CO 0.08 0.68 0.00 1.28 0.00 0.00 0.00 179.97 182.01 1ur1 n LEU 371 N -4.27 4.16 -4.76 3.04 4.77 -0.72 -5.00 117.00 114.22 1ur1 n LEU 371 Ca 0.03 -2.31 -0.39 0.00 -0.03 0.00 0.00 56.01 53.30 1ur1 n LEU 371 Cb 0.24 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1ur1 n LEU 371 CO 0.40 0.83 1.04 -0.70 -1.33 0.00 0.00 177.39 177.63 1ur1 s GLU 372 N -1.58 3.54 -0.25 3.23 2.12 -0.98 -4.99 118.70 119.77 1ur1 s GLU 372 Ca 0.45 2.36 -0.08 0.00 0.36 0.00 0.00 54.97 58.05 1ur1 s GLU 372 Cb 0.27 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1ur1 s GLU 372 CO 0.24 -0.92 0.10 -1.01 -0.54 0.00 0.00 175.26 173.13 1ur1 s HIS 373 N -1.23 3.12 0.27 5.30 3.76 -1.26 -5.07 115.29 120.18 1ur1 s HIS 373 Ca 0.64 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 55.28 1ur1 s HIS 373 Cb -0.43 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1ur1 s HIS 373 CO 0.54 -0.30 0.14 -3.38 -0.85 0.00 0.00 174.74 170.89 1ur1 s HIS 374 N 1.61 1.51 -2.25 1.40 -3.43 -1.26 -5.27 115.29 107.60 1ur1 s HIS 374 Ca 0.06 -1.32 0.30 0.00 -0.80 0.00 0.00 55.06 53.30 1ur1 s HIS 374 Cb -0.15 -0.82 1.48 0.00 -1.43 0.00 0.00 32.58 31.66 1ur1 s HIS 374 CO 0.05 -0.49 1.99 0.72 -2.00 0.00 0.00 174.74 175.01