#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl9 s ILE 2 N 0.00 2.78 -0.19 3.17 2.07 -1.26 -5.06 121.20 122.71 1xl9 s ILE 2 Ca 0.00 0.25 -0.04 0.00 -1.41 0.00 0.00 60.65 59.45 1xl9 s ILE 2 Cb 0.00 -2.65 0.08 0.00 0.13 0.00 0.00 42.46 40.02 1xl9 s ILE 2 CO 0.00 -0.33 0.19 -0.62 -1.91 0.00 0.00 174.94 172.27 1xl9 s ASP 3 N -3.26 1.53 0.00 4.50 2.15 -1.26 -5.01 116.67 115.32 1xl9 s ASP 3 Ca 0.63 -0.27 0.29 0.00 0.43 0.00 0.00 52.55 53.63 1xl9 s ASP 3 Cb -0.19 0.26 1.54 0.00 -0.30 0.00 0.00 42.92 44.23 1xl9 s ASP 3 CO 0.57 -0.33 2.01 0.49 -0.17 0.00 0.00 175.17 177.75 1xl9 n PHE 4 N 5.31 0.01 -4.40 -5.34 3.72 -1.26 -4.80 117.46 110.71 1xl9 n PHE 4 Ca -0.06 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1xl9 n PHE 4 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1xl9 n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xl9 n GLY 5 N 1.02 -0.03 0.04 1.37 0.00 -1.26 -3.56 105.19 102.78 1xl9 n GLY 5 Ca 0.21 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.31 1xl9 n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl9 n THR 6 N 0.00 0.40 -3.73 2.61 -2.24 -1.26 -4.69 114.28 105.36 1xl9 n THR 6 Ca 0.00 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 1xl9 n THR 6 Cb 0.00 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 67.94 1xl9 n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xl9 s ILE 7 N -3.23 1.01 -0.17 2.28 1.01 -1.26 -1.59 121.20 119.24 1xl9 s ILE 7 Ca -0.08 -1.66 -0.22 0.00 0.00 0.00 0.00 60.65 58.69 1xl9 s ILE 7 Cb 0.12 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 1xl9 s ILE 7 CO 0.88 -0.72 0.66 0.00 0.00 0.00 0.00 174.94 175.76 1xl9 s ALA 8 N 1.34 3.51 -0.17 9.38 0.00 -0.65 -0.80 121.76 134.37 1xl9 s ALA 8 Ca 0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1xl9 s ALA 8 Cb -0.19 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1xl9 s ALA 8 CO -0.19 -0.48 0.33 0.99 0.00 0.00 0.00 175.76 176.41 1xl9 s THR 9 N 1.73 5.27 -0.83 0.00 2.01 -0.45 0.01 115.64 123.37 1xl9 s THR 9 Ca 0.31 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.68 1xl9 s THR 9 Cb -0.16 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.74 1xl9 s THR 9 CO 0.12 0.34 1.24 0.00 -0.69 0.00 0.00 174.62 175.62 1xl9 s ALA 10 N 0.76 2.91 -0.13 7.40 0.00 0.55 -0.78 121.76 132.47 1xl9 s ALA 10 Ca 0.17 -1.95 -0.26 0.00 0.00 0.00 0.00 51.96 49.92 1xl9 s ALA 10 Cb -0.14 -4.22 -0.02 0.00 0.00 0.00 0.00 23.12 18.75 1xl9 s ALA 10 CO 0.05 -3.23 0.85 1.41 0.00 0.00 0.00 175.76 174.85 1xl9 s MET 11 N 4.67 4.36 0.98 0.00 1.75 -0.66 -4.76 119.30 125.64 1xl9 s MET 11 Ca 0.35 1.10 -0.14 0.00 -1.25 0.00 0.00 55.69 55.74 1xl9 s MET 11 Cb -0.07 -3.54 0.01 0.00 2.84 0.00 0.00 34.83 34.07 1xl9 s MET 11 CO 0.03 -0.24 0.11 1.33 -0.65 0.00 0.00 175.02 175.60 1xl9 n VAL 12 N 4.48 0.00 -3.95 10.11 0.24 -1.25 -3.29 118.33 124.67 1xl9 n VAL 12 Ca 0.04 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 1xl9 n VAL 12 Cb 0.49 -0.50 -0.14 0.00 -1.47 0.00 0.00 33.84 32.22 1xl9 n VAL 12 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1xl9 s THR 13 N -2.30 2.59 0.37 3.34 2.01 -1.26 -4.81 115.64 115.58 1xl9 s THR 13 Ca 0.53 -2.38 -0.28 0.00 0.31 0.00 0.00 61.69 59.88 1xl9 s THR 13 Cb -0.19 -2.86 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 1xl9 s THR 13 CO 0.70 -0.65 1.37 -2.84 -0.69 0.00 0.00 174.62 172.51 1xl9 s PRO 14 N 0.83 4.14 0.09 4.92 0.02 -1.26 -4.95 135.00 138.78 1xl9 s PRO 14 Ca 0.11 2.33 0.10 0.00 0.02 0.00 0.00 61.00 63.56 1xl9 s PRO 14 Cb -0.21 -2.94 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1xl9 s PRO 14 CO -0.06 -0.41 -0.26 -0.06 -0.33 0.00 0.00 177.00 175.88 1xl9 s PHE 15 N -1.17 2.25 0.83 6.54 2.99 -0.55 -1.90 117.98 126.97 1xl9 s PHE 15 Ca 0.53 -0.40 -0.13 0.00 0.00 0.00 0.00 56.93 56.93 1xl9 s PHE 15 Cb -0.42 -1.28 0.19 0.00 0.00 0.00 0.00 43.02 41.51 1xl9 s PHE 15 CO 0.56 0.22 1.14 -0.40 -0.00 0.00 0.00 175.22 176.73 1xl9 n ASP 16 N 1.35 0.23 -0.38 1.36 5.68 0.30 -3.62 116.55 121.46 1xl9 n ASP 16 Ca -0.18 -1.50 0.35 0.00 -0.50 0.00 0.00 54.79 52.97 1xl9 n ASP 16 Cb 0.53 -0.86 0.70 0.00 -1.14 0.00 0.00 41.12 40.35 1xl9 n ASP 16 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xl9 h ILE 17 N -1.54 0.35 -0.00 2.12 6.09 -2.01 -0.37 117.51 122.14 1xl9 h ILE 17 Ca -0.37 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 1xl9 h ILE 17 Cb 1.05 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.59 1xl9 h ILE 17 CO 0.27 0.02 -0.60 0.59 -3.07 0.00 0.00 178.15 175.36 1xl9 n ASN 18 N -4.30 0.99 0.00 2.19 5.03 -1.26 -4.96 115.26 112.95 1xl9 n ASN 18 Ca 0.29 -0.80 0.00 0.00 0.87 0.00 0.00 54.58 54.94 1xl9 n ASN 18 Cb 1.29 0.49 0.00 0.00 -1.02 0.00 0.00 39.78 40.54 1xl9 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xl9 n GLY 19 N 1.46 0.82 3.92 7.41 0.00 -0.15 -5.08 105.19 113.57 1xl9 n GLY 19 Ca 0.07 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1xl9 n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xl9 s ASN 20 N -2.08 6.33 0.27 1.61 -0.87 -1.26 -4.79 114.94 114.15 1xl9 s ASN 20 Ca 0.00 0.71 -0.30 0.00 -1.57 0.00 0.00 52.86 51.70 1xl9 s ASN 20 Cb 0.00 -2.15 -0.11 0.00 -0.02 0.00 0.00 41.25 38.97 1xl9 s ASN 20 CO 0.00 -0.38 1.52 -0.63 -2.57 0.00 0.00 177.10 175.03 1xl9 s ILE 21 N -2.43 2.36 -0.44 0.60 1.01 -1.26 -0.54 121.20 120.50 1xl9 s ILE 21 Ca 0.44 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.28 1xl9 s ILE 21 Cb -0.10 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.25 1xl9 s ILE 21 CO 0.38 0.05 0.31 -0.62 0.00 0.00 0.00 174.94 175.06 1xl9 s ASP 22 N 0.43 5.85 0.32 3.58 -1.08 -0.80 -4.69 116.67 120.28 1xl9 s ASP 22 Ca 0.61 -1.41 0.22 0.00 -0.52 0.00 0.00 52.55 51.46 1xl9 s ASP 22 Cb -0.45 -2.07 0.17 0.00 -1.46 0.00 0.00 42.92 39.11 1xl9 s ASP 22 CO 0.46 -0.57 1.34 -0.26 0.52 0.00 0.00 175.17 176.66 1xl9 h PHE 23 N 8.55 0.00 -0.11 -5.34 -1.00 -1.92 -1.46 116.94 115.66 1xl9 h PHE 23 Ca -0.25 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.30 1xl9 h PHE 23 Cb 1.10 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.67 1xl9 h PHE 23 CO 0.62 0.04 -0.83 0.00 -1.61 0.00 0.00 178.31 176.53 1xl9 h ALA 24 N 1.96 0.31 -0.32 2.45 0.00 -2.00 -3.05 119.26 118.61 1xl9 h ALA 24 Ca -0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 1xl9 h ALA 24 Cb 1.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xl9 h ALA 24 CO 0.00 0.70 -0.47 -0.22 0.00 0.00 0.00 179.25 179.26 1xl9 h LYS 25 N 0.47 0.89 -0.73 0.00 1.63 -1.92 -2.29 116.57 114.62 1xl9 h LYS 25 Ca -0.07 -0.53 0.20 0.00 -0.85 0.00 0.00 60.65 59.41 1xl9 h LYS 25 Cb 1.46 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 33.10 1xl9 h LYS 25 CO 0.17 1.17 0.52 1.15 -3.45 0.00 0.00 179.45 179.00 1xl9 h THR 26 N 0.68 0.66 0.14 1.00 2.02 -1.37 -1.87 112.91 114.19 1xl9 h THR 26 Ca 0.03 -0.03 -0.28 0.00 0.77 0.00 0.00 66.41 66.90 1xl9 h THR 26 Cb 1.08 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1xl9 h THR 26 CO 0.11 0.01 -1.28 0.74 0.37 0.00 0.00 175.52 175.48 1xl9 h THR 27 N 0.08 1.47 -0.23 3.16 2.02 -1.30 -2.34 112.91 115.77 1xl9 h THR 27 Ca 0.35 -3.02 -0.04 0.00 0.77 0.00 0.00 66.41 64.47 1xl9 h THR 27 Cb 1.28 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.64 1xl9 h THR 27 CO -0.03 0.88 0.00 0.11 0.37 0.00 0.00 175.52 176.85 1xl9 h LYS 28 N 0.08 0.40 -0.40 6.66 1.57 -1.12 -2.89 116.57 120.88 1xl9 h LYS 28 Ca -0.15 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1xl9 h LYS 28 Cb 2.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.25 1xl9 h LYS 28 CO 0.21 0.58 0.25 1.25 -0.57 0.00 0.00 179.45 181.17 1xl9 h LEU 29 N 0.17 0.41 -0.95 2.94 6.46 -1.42 -0.05 115.31 122.87 1xl9 h LEU 29 Ca 0.06 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1xl9 h LEU 29 Cb 0.40 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1xl9 h LEU 29 CO 0.01 0.29 0.29 0.58 -0.62 0.00 0.00 178.44 179.00 1xl9 h VAL 30 N 0.50 1.24 -0.22 1.05 2.07 -1.46 -0.26 116.25 119.17 1xl9 h VAL 30 Ca 0.15 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1xl9 h VAL 30 Cb -0.02 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1xl9 h VAL 30 CO -0.06 0.30 -0.23 0.78 0.02 0.00 0.00 177.57 178.39 1xl9 h ASN 31 N 1.04 0.58 -0.20 0.57 2.35 -1.26 -2.71 115.58 115.94 1xl9 h ASN 31 Ca 0.24 -0.48 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1xl9 h ASN 31 Cb 0.18 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1xl9 h ASN 31 CO -0.02 0.94 0.07 0.22 -1.65 0.00 0.00 177.43 176.99 1xl9 h TYR 32 N 0.22 0.13 -0.41 1.19 3.20 -0.72 -1.82 116.97 118.77 1xl9 h TYR 32 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1xl9 h TYR 32 Cb 0.78 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1xl9 h TYR 32 CO 0.08 0.07 0.09 -0.07 -1.64 0.00 0.00 178.16 176.68 1xl9 h LEU 33 N 0.17 0.03 -0.77 2.82 3.38 -1.06 -1.40 115.31 118.48 1xl9 h LEU 33 Ca 0.08 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1xl9 h LEU 33 Cb 0.05 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1xl9 h LEU 33 CO -0.08 0.05 0.19 0.40 0.09 0.00 0.00 178.44 179.09 1xl9 h ILE 34 N 0.22 1.26 0.00 1.22 2.04 -1.31 -0.60 117.51 120.35 1xl9 h ILE 34 Ca 0.20 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xl9 h ILE 34 Cb 0.23 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1xl9 h ILE 34 CO -0.25 0.36 0.00 -0.67 0.00 0.00 0.00 178.15 177.60 1xl9 n ASP 35 N -4.24 0.15 -1.60 1.72 2.03 -0.70 -3.89 116.55 110.02 1xl9 n ASP 35 Ca 0.05 0.54 -0.02 0.00 0.52 0.00 0.00 54.79 55.88 1xl9 n ASP 35 Cb 0.25 -0.57 0.08 0.00 -0.72 0.00 0.00 41.12 40.16 1xl9 n ASP 35 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xl9 n ASN 36 N -1.67 2.20 0.00 1.67 3.02 -0.27 -4.99 115.26 115.23 1xl9 n ASN 36 Ca 0.02 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 1xl9 n ASN 36 Cb 0.15 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1xl9 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl9 n GLY 37 N -0.48 0.50 3.67 7.41 0.00 -1.13 -3.22 105.19 111.94 1xl9 n GLY 37 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1xl9 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xl9 s THR 38 N -2.00 4.56 -1.73 2.61 2.01 -0.96 -4.63 115.64 115.50 1xl9 s THR 38 Ca 0.00 1.86 0.16 0.00 0.31 0.00 0.00 61.69 64.02 1xl9 s THR 38 Cb 0.00 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.38 1xl9 s THR 38 CO 0.00 -0.07 0.92 0.35 -0.69 0.00 0.00 174.62 175.13 1xl9 n THR 39 N 4.92 0.00 -3.55 -0.82 -2.24 0.02 -4.55 114.28 108.06 1xl9 n THR 39 Ca 0.11 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1xl9 n THR 39 Cb 0.47 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.91 1xl9 n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xl9 s ALA 40 N -1.53 -1.86 -0.08 6.98 0.00 -1.20 -4.27 121.76 119.79 1xl9 s ALA 40 Ca 0.16 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1xl9 s ALA 40 Cb 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1xl9 s ALA 40 CO 0.28 -0.39 -0.18 0.42 0.00 0.00 0.00 175.76 175.89 1xl9 s ILE 41 N -1.46 1.56 -0.27 0.00 1.01 -0.57 -1.35 121.20 120.12 1xl9 s ILE 41 Ca -0.03 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1xl9 s ILE 41 Cb -0.00 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1xl9 s ILE 41 CO 0.02 0.45 0.32 -0.69 0.00 0.00 0.00 174.94 175.04 1xl9 s VAL 42 N 0.50 5.22 -0.15 2.92 1.01 0.04 -0.20 120.40 129.73 1xl9 s VAL 42 Ca -0.16 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1xl9 s VAL 42 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1xl9 s VAL 42 CO 0.06 0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.69 1xl9 s VAL 43 N 1.93 4.48 -1.23 2.92 1.01 0.26 -1.66 120.40 128.12 1xl9 s VAL 43 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1xl9 s VAL 43 Cb -0.16 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1xl9 s VAL 43 CO 0.10 0.51 1.01 0.61 0.00 0.00 0.00 175.10 177.33 1xl9 n GLY 44 N 3.13 -0.38 0.00 4.51 0.00 -1.26 -1.31 105.19 109.87 1xl9 n GLY 44 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xl9 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl9 n GLY 45 N -1.29 1.64 0.30 -0.02 0.00 -1.26 -4.16 105.19 100.39 1xl9 n GLY 45 Ca -0.25 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 43.83 1xl9 n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xl9 h THR 46 N -0.06 0.36 0.00 2.61 2.02 -1.96 0.38 112.91 116.27 1xl9 h THR 46 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1xl9 h THR 46 Cb 0.00 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1xl9 h THR 46 CO 0.00 0.04 0.00 0.74 0.37 0.00 0.00 175.52 176.67 1xl9 h THR 47 N 0.21 0.00 -0.26 3.16 2.02 -1.87 -2.40 112.91 113.77 1xl9 h THR 47 Ca 0.50 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1xl9 h THR 47 Cb 0.97 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1xl9 h THR 47 CO -0.63 0.00 0.00 0.61 0.37 0.00 0.00 175.52 175.87 1xl9 n GLY 48 N 0.61 0.27 3.65 2.16 0.00 0.13 -3.87 105.19 108.15 1xl9 n GLY 48 Ca 0.03 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1xl9 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xl9 n GLU 49 N 0.29 -6.82 -0.33 1.61 1.02 -0.90 -4.28 120.64 111.23 1xl9 n GLU 49 Ca 0.10 0.75 0.17 0.00 -0.02 0.00 0.00 57.16 58.16 1xl9 n GLU 49 Cb 0.24 -5.73 0.37 0.00 -0.02 0.00 0.00 31.44 26.30 1xl9 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xl9 h SER 50 N -2.36 0.57 -0.90 1.62 4.64 -1.61 -1.58 113.55 113.92 1xl9 h SER 50 Ca -0.57 0.15 0.24 0.00 -0.47 0.00 0.00 61.79 61.14 1xl9 h SER 50 Cb 1.37 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.48 1xl9 h SER 50 CO 0.60 0.06 0.63 -0.65 -0.87 0.00 0.00 176.83 176.59 1xl9 h PRO 51 N 0.51 0.16 -0.11 4.77 0.11 -1.90 -2.60 132.00 132.94 1xl9 h PRO 51 Ca 0.63 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1xl9 h PRO 51 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xl9 h PRO 51 CO -0.50 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 177.64 1xl9 n THR 52 N -4.38 0.27 -2.82 -1.15 -2.24 -0.61 -4.93 114.28 98.41 1xl9 n THR 52 Ca 0.19 -0.63 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 1xl9 n THR 52 Cb 0.87 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 70.08 1xl9 n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xl9 s LEU 53 N -1.01 4.34 0.52 3.22 1.02 -0.98 -5.09 118.68 120.71 1xl9 s LEU 53 Ca 0.17 1.78 -0.07 0.00 0.02 0.00 0.00 54.13 56.04 1xl9 s LEU 53 Cb 0.11 -3.95 -0.03 0.00 0.02 0.00 0.00 46.19 42.33 1xl9 s LEU 53 CO 0.16 -0.05 0.85 0.42 0.02 0.00 0.00 176.35 177.75 1xl9 s THR 54 N -1.60 4.74 0.37 5.49 -4.23 -1.26 -4.91 115.64 114.23 1xl9 s THR 54 Ca 0.49 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.38 1xl9 s THR 54 Cb -0.18 -3.83 0.22 0.00 1.34 0.00 0.00 72.50 70.05 1xl9 s THR 54 CO 0.23 -0.88 1.98 -1.28 -0.54 0.00 0.00 174.62 174.13 1xl9 h SER 55 N 0.06 0.55 -0.12 3.99 0.87 -1.98 0.35 113.55 117.27 1xl9 h SER 55 Ca -0.46 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1xl9 h SER 55 Cb 1.21 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1xl9 h SER 55 CO 0.62 0.48 -0.01 -0.33 -0.53 0.00 0.00 176.83 177.06 1xl9 h GLU 56 N 0.62 0.21 -0.44 2.24 3.07 -1.99 -1.94 114.58 116.34 1xl9 h GLU 56 Ca 0.16 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1xl9 h GLU 56 Cb 0.08 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.91 1xl9 h GLU 56 CO -0.02 0.47 0.12 0.93 -1.40 0.00 0.00 179.01 179.11 1xl9 h GLU 57 N -0.07 0.26 -0.69 2.33 5.08 -1.85 -1.31 114.58 118.32 1xl9 h GLU 57 Ca 0.03 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1xl9 h GLU 57 Cb 0.38 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1xl9 h GLU 57 CO 0.01 0.17 0.37 0.87 -1.00 0.00 0.00 179.01 179.43 1xl9 h LYS 58 N 0.27 0.63 -0.18 2.33 1.57 -0.23 -1.29 116.57 119.67 1xl9 h LYS 58 Ca 0.21 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 1xl9 h LYS 58 Cb 0.24 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xl9 h LYS 58 CO -0.25 0.42 -0.63 0.28 -0.57 0.00 0.00 179.45 178.70 1xl9 h VAL 59 N 0.65 1.31 -0.13 0.50 2.07 -1.23 -0.78 116.25 118.65 1xl9 h VAL 59 Ca 0.32 -1.89 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1xl9 h VAL 59 Cb 0.27 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1xl9 h VAL 59 CO -0.22 0.59 0.07 0.00 0.02 0.00 0.00 177.57 178.03 1xl9 h ALA 60 N 0.82 0.15 -0.66 1.67 0.00 -1.00 -0.93 119.26 119.30 1xl9 h ALA 60 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xl9 h ALA 60 Cb 1.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1xl9 h ALA 60 CO 0.12 -0.38 0.30 1.25 0.00 0.00 0.00 179.25 180.55 1xl9 h LEU 61 N 0.14 0.88 -0.53 0.00 5.85 -1.18 0.14 115.31 120.61 1xl9 h LEU 61 Ca 0.05 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1xl9 h LEU 61 Cb 0.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1xl9 h LEU 61 CO -0.03 0.78 0.24 1.88 -0.34 0.00 0.00 178.44 180.97 1xl9 h TYR 62 N 0.92 0.78 -0.21 1.25 0.05 -1.04 -1.05 116.97 117.67 1xl9 h TYR 62 Ca 0.23 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 1xl9 h TYR 62 Cb 0.15 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1xl9 h TYR 62 CO 0.01 0.62 0.03 -0.09 -1.05 0.00 0.00 178.16 177.67 1xl9 h ARG 63 N 0.71 0.35 -0.75 4.88 2.43 -0.79 -0.60 114.38 120.60 1xl9 h ARG 63 Ca 0.18 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1xl9 h ARG 63 Cb 0.14 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1xl9 h ARG 63 CO -0.02 0.50 0.24 1.25 -1.51 0.00 0.00 179.97 180.43 1xl9 h HIS 64 N 0.14 1.21 -0.32 2.20 2.76 -0.95 -1.90 115.15 118.29 1xl9 h HIS 64 Ca 0.06 -0.12 -0.16 0.00 -2.20 0.00 0.00 60.37 57.95 1xl9 h HIS 64 Cb 0.32 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1xl9 h HIS 64 CO 0.02 0.94 -0.44 0.28 -1.30 0.00 0.00 177.93 177.43 1xl9 h VAL 65 N 1.12 1.28 -0.55 5.26 2.07 -1.11 -1.81 116.25 122.51 1xl9 h VAL 65 Ca 0.24 -1.63 0.10 0.00 0.82 0.00 0.00 66.70 66.24 1xl9 h VAL 65 Cb 0.30 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1xl9 h VAL 65 CO -0.01 0.53 0.11 0.58 0.02 0.00 0.00 177.57 178.80 1xl9 h VAL 66 N 0.65 0.68 -0.00 2.57 2.07 -0.87 -0.44 116.25 120.91 1xl9 h VAL 66 Ca 0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xl9 h VAL 66 Cb 1.02 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1xl9 h VAL 66 CO 0.10 0.04 0.00 0.77 0.02 0.00 0.00 177.57 178.50 1xl9 h SER 67 N 0.24 0.00 -0.30 0.57 4.64 -1.17 -2.61 113.55 114.92 1xl9 h SER 67 Ca 0.28 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1xl9 h SER 67 Cb 0.40 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1xl9 h SER 67 CO -0.37 0.30 -0.08 0.58 -0.87 0.00 0.00 176.83 176.39 1xl9 h VAL 68 N -0.30 1.25 0.31 0.95 2.07 -1.21 -3.07 116.25 116.25 1xl9 h VAL 68 Ca 0.00 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1xl9 h VAL 68 Cb 0.30 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1xl9 h VAL 68 CO 0.00 0.37 -0.15 0.58 0.02 0.00 0.00 177.57 178.39 1xl9 h VAL 69 N 0.65 0.71 -4.40 2.57 2.07 -1.07 -3.48 116.25 113.30 1xl9 h VAL 69 Ca 0.12 -0.16 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 1xl9 h VAL 69 Cb 0.52 0.80 0.11 0.00 -1.52 0.00 0.00 31.29 31.20 1xl9 h VAL 69 CO 0.03 0.03 -0.51 -0.67 0.02 0.00 0.00 177.57 176.48 1xl9 n ASP 70 N -5.23 -2.36 -0.46 0.57 4.64 -0.99 -3.04 116.55 109.68 1xl9 n ASP 70 Ca -0.10 -0.41 -0.05 0.00 -1.38 0.00 0.00 54.79 52.85 1xl9 n ASP 70 Cb 0.21 -3.52 -0.02 0.00 -1.04 0.00 0.00 41.12 36.75 1xl9 n ASP 70 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xl9 n LYS 71 N -2.99 -1.82 0.21 -0.67 4.76 -1.26 -4.80 118.16 111.58 1xl9 n LYS 71 Ca -0.17 0.61 0.05 0.00 -2.87 0.00 0.00 58.31 55.93 1xl9 n LYS 71 Cb 0.61 -4.85 0.46 0.00 -1.84 0.00 0.00 35.03 29.41 1xl9 n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xl9 h ARG 72 N 0.00 0.00 -1.96 1.97 3.08 -1.92 -3.45 114.38 112.09 1xl9 h ARG 72 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1xl9 h ARG 72 Cb 0.94 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.78 1xl9 h ARG 72 CO 0.16 0.28 0.16 0.54 -1.07 0.00 0.00 179.97 180.04 1xl9 s VAL 73 N -4.25 0.00 0.43 2.04 0.11 -1.26 -5.06 120.40 112.40 1xl9 s VAL 73 Ca -0.03 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1xl9 s VAL 73 Cb 0.14 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.90 1xl9 s VAL 73 CO 0.69 0.00 1.40 -2.65 -3.33 0.00 0.00 175.10 171.21 1xl9 n PRO 74 N 2.66 2.24 -3.89 1.54 -0.02 -1.26 -4.85 135.00 131.42 1xl9 n PRO 74 Ca -0.14 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 1xl9 n PRO 74 Cb 0.55 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1xl9 n PRO 74 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xl9 s VAL 75 N -1.18 3.31 -0.24 -1.45 1.01 -1.26 -1.51 120.40 119.09 1xl9 s VAL 75 Ca 0.59 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1xl9 s VAL 75 Cb -0.47 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1xl9 s VAL 75 CO 0.59 0.25 0.06 -0.63 0.00 0.00 0.00 175.10 175.36 1xl9 s ILE 76 N 1.42 4.26 -0.08 2.22 1.01 0.72 -0.89 121.20 129.86 1xl9 s ILE 76 Ca 0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 1xl9 s ILE 76 Cb -0.16 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1xl9 s ILE 76 CO -0.02 0.36 0.40 0.00 0.00 0.00 0.00 174.94 175.68 1xl9 s ALA 77 N 1.44 3.60 -1.25 9.38 0.00 -0.46 0.90 121.76 135.37 1xl9 s ALA 77 Ca 0.05 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 1xl9 s ALA 77 Cb -0.15 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 1xl9 s ALA 77 CO 0.03 0.24 2.04 0.41 0.00 0.00 0.00 175.76 178.47 1xl9 n GLY 78 N 2.66 3.37 0.02 0.00 0.00 -0.43 -0.27 105.19 110.54 1xl9 n GLY 78 Ca -0.11 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.62 1xl9 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl9 n THR 79 N 5.78 0.00 -3.04 2.61 -2.24 -1.11 -4.79 114.28 111.50 1xl9 n THR 79 Ca 0.50 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.88 1xl9 n THR 79 Cb 0.41 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 1xl9 n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xl9 s GLY 80 N -2.90 2.80 0.00 3.38 0.00 -1.15 -4.61 107.32 104.84 1xl9 s GLY 80 Ca 0.16 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1xl9 s GLY 80 CO 0.57 0.92 0.00 -1.14 0.00 0.00 0.00 173.10 173.45 1xl9 n SER 81 N 2.29 0.58 -0.31 1.64 3.41 -1.26 -4.48 113.62 115.50 1xl9 n SER 81 Ca -0.05 -0.84 0.03 0.00 -0.26 0.00 0.00 58.87 57.74 1xl9 n SER 81 Cb 0.50 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1xl9 n SER 81 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xl9 n ASN 82 N -2.04 0.88 -3.95 4.04 2.04 -1.26 -4.56 115.26 110.42 1xl9 n ASN 82 Ca 0.00 -2.00 -0.30 0.00 -0.44 0.00 0.00 54.58 51.83 1xl9 n ASN 82 Cb 0.00 -0.12 -0.16 0.00 -2.53 0.00 0.00 39.78 36.98 1xl9 n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1xl9 s ASN 83 N -0.98 3.84 0.13 0.53 3.84 -1.26 -4.93 114.94 116.11 1xl9 s ASN 83 Ca 0.11 -1.17 -0.16 0.00 0.21 0.00 0.00 52.86 51.85 1xl9 s ASN 83 Cb 0.06 -1.19 -0.01 0.00 -0.55 0.00 0.00 41.25 39.55 1xl9 s ASN 83 CO 0.07 -0.23 1.67 0.74 -2.79 0.00 0.00 177.10 176.56 1xl9 h THR 84 N 6.66 1.20 -0.61 -5.21 2.02 -1.95 -1.53 112.91 113.49 1xl9 h THR 84 Ca -0.18 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.29 1xl9 h THR 84 Cb 1.07 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1xl9 h THR 84 CO 0.42 0.22 0.01 -0.74 0.37 0.00 0.00 175.52 175.79 1xl9 h HIS 85 N 0.47 1.16 -0.11 3.16 -0.00 -1.97 -0.91 115.15 116.94 1xl9 h HIS 85 Ca 0.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 1xl9 h HIS 85 Cb 0.20 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 1xl9 h HIS 85 CO 0.00 1.02 0.02 0.00 -0.00 0.00 0.00 177.93 178.97 1xl9 h ALA 86 N 0.99 1.83 0.18 5.26 0.00 -1.96 -2.08 119.26 123.48 1xl9 h ALA 86 Ca 0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1xl9 h ALA 86 Cb 0.55 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xl9 h ALA 86 CO 0.03 0.13 -1.24 0.77 0.00 0.00 0.00 179.25 178.94 1xl9 h SER 87 N 0.16 0.78 -0.71 0.00 0.02 -0.71 -1.61 113.55 111.47 1xl9 h SER 87 Ca 0.04 -0.89 0.06 0.00 -0.84 0.00 0.00 61.79 60.16 1xl9 h SER 87 Cb 0.07 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 1xl9 h SER 87 CO -0.00 1.60 0.41 0.40 -1.14 0.00 0.00 176.83 178.10 1xl9 h ILE 88 N 0.07 1.00 0.34 3.27 2.04 -1.11 -0.93 117.51 122.19 1xl9 h ILE 88 Ca -0.21 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1xl9 h ILE 88 Cb 1.95 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1xl9 h ILE 88 CO 0.24 0.14 -0.16 -0.78 0.00 0.00 0.00 178.15 177.58 1xl9 h ASP 89 N 0.77 -0.38 0.70 1.72 3.58 -1.29 -2.36 116.42 119.15 1xl9 h ASP 89 Ca 0.31 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 1xl9 h ASP 89 Cb 0.16 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1xl9 h ASP 89 CO -0.17 -0.14 -0.40 0.25 -2.88 0.00 0.00 179.24 175.91 1xl9 h LEU 90 N -0.62 0.00 0.14 2.28 5.85 -1.28 -2.83 115.31 118.86 1xl9 h LEU 90 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1xl9 h LEU 90 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1xl9 h LEU 90 CO 0.08 0.40 -0.07 0.74 -0.34 0.00 0.00 178.44 179.24 1xl9 h THR 91 N 0.00 0.87 -0.49 1.05 2.02 -1.14 -2.04 112.91 113.17 1xl9 h THR 91 Ca -0.00 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1xl9 h THR 91 Cb 0.85 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1xl9 h THR 91 CO 0.05 0.01 0.33 0.11 0.37 0.00 0.00 175.52 176.39 1xl9 h LYS 92 N -0.21 0.54 -0.26 6.66 1.57 -1.21 -1.17 116.57 122.49 1xl9 h LYS 92 Ca -0.02 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1xl9 h LYS 92 Cb 0.16 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xl9 h LYS 92 CO 0.03 0.35 -0.52 0.87 -0.57 0.00 0.00 179.45 179.61 1xl9 h LYS 93 N 0.55 0.74 -0.55 3.15 1.57 -1.31 -1.56 116.57 119.17 1xl9 h LYS 93 Ca 0.20 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1xl9 h LYS 93 Cb 0.10 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1xl9 h LYS 93 CO -0.05 1.08 0.17 0.00 -0.57 0.00 0.00 179.45 180.09 1xl9 h ALA 94 N 0.83 0.72 -0.32 3.86 0.00 -1.07 -2.50 119.26 120.78 1xl9 h ALA 94 Ca 0.02 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xl9 h ALA 94 Cb 1.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1xl9 h ALA 94 CO 0.11 0.38 0.06 1.15 0.00 0.00 0.00 179.25 180.95 1xl9 h THR 95 N 0.76 0.85 0.00 0.00 2.02 -1.07 -2.58 112.91 112.89 1xl9 h THR 95 Ca 0.18 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1xl9 h THR 95 Cb 0.28 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1xl9 h THR 95 CO -0.01 0.03 0.00 -0.33 0.37 0.00 0.00 175.52 175.59 1xl9 h GLU 96 N 0.18 0.00 -0.26 6.66 4.39 -1.23 -0.16 114.58 124.16 1xl9 h GLU 96 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1xl9 h GLU 96 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1xl9 h GLU 96 CO -0.20 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 178.98 1xl9 n VAL 97 N -2.89 0.33 -1.85 3.13 0.24 -0.95 -4.98 118.33 111.36 1xl9 n VAL 97 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1xl9 n VAL 97 Cb 0.24 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1xl9 n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 98 N 1.22 0.44 3.76 7.63 0.00 -0.07 -4.74 105.19 113.44 1xl9 n GLY 98 Ca 0.16 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1xl9 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xl9 s VAL 99 N -2.00 3.21 -0.13 1.61 -7.23 -1.07 -4.96 120.40 109.84 1xl9 s VAL 99 Ca 0.00 0.44 0.17 0.00 -1.81 0.00 0.00 61.98 60.78 1xl9 s VAL 99 Cb 0.00 -2.90 -0.13 0.00 0.56 0.00 0.00 36.38 33.90 1xl9 s VAL 99 CO 0.00 -0.47 0.82 0.47 -0.31 0.00 0.00 175.10 175.61 1xl9 n ASP 100 N -3.29 0.84 -3.72 4.85 9.92 -0.07 -4.78 116.55 120.30 1xl9 n ASP 100 Ca 0.10 0.37 -0.07 0.00 -0.53 0.00 0.00 54.79 54.65 1xl9 n ASP 100 Cb 0.53 0.21 -0.02 0.00 -0.64 0.00 0.00 41.12 41.19 1xl9 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xl9 s ALA 101 N -2.95 -1.43 0.01 2.24 0.00 -0.93 -4.28 121.76 114.42 1xl9 s ALA 101 Ca -0.03 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1xl9 s ALA 101 Cb 0.09 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1xl9 s ALA 101 CO 0.81 -0.96 -0.25 0.14 0.00 0.00 0.00 175.76 175.50 1xl9 s VAL 102 N -3.69 2.01 -0.18 0.00 -7.23 -0.62 -1.35 120.40 109.34 1xl9 s VAL 102 Ca 0.09 -1.19 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1xl9 s VAL 102 Cb -0.04 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1xl9 s VAL 102 CO 0.01 0.47 0.08 -0.32 -0.31 0.00 0.00 175.10 175.03 1xl9 s MET 103 N -0.85 4.01 -0.38 4.82 0.00 0.62 -0.44 119.30 127.09 1xl9 s MET 103 Ca 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 55.69 55.51 1xl9 s MET 103 Cb -0.10 -3.25 0.11 0.00 0.00 0.00 0.00 34.83 31.59 1xl9 s MET 103 CO 0.00 0.29 0.11 -0.51 0.00 0.00 0.00 175.02 174.91 1xl9 s LEU 104 N 0.34 4.09 0.60 4.11 1.43 0.39 -2.74 118.68 126.90 1xl9 s LEU 104 Ca 0.04 -2.27 -0.20 0.00 -1.03 0.00 0.00 54.13 50.67 1xl9 s LEU 104 Cb -0.12 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1xl9 s LEU 104 CO -0.00 -0.35 1.31 0.55 0.23 0.00 0.00 176.35 178.08 1xl9 n VAL 105 N 4.08 4.35 -1.77 -1.59 3.14 -1.26 -2.19 118.33 123.09 1xl9 n VAL 105 Ca 0.04 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.49 1xl9 n VAL 105 Cb 0.40 -1.56 -0.03 0.00 -1.06 0.00 0.00 33.84 31.59 1xl9 n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xl9 s ALA 106 N -1.34 3.68 0.24 1.55 0.00 -0.32 -4.71 121.76 120.85 1xl9 s ALA 106 Ca 0.77 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 53.73 1xl9 s ALA 106 Cb -0.40 -3.77 -0.13 0.00 0.00 0.00 0.00 23.12 18.81 1xl9 s ALA 106 CO 0.45 -1.33 1.45 -2.30 0.00 0.00 0.00 175.76 174.03 1xl9 n PRO 107 N 6.39 2.13 -3.73 0.00 -0.02 -1.26 -4.80 135.00 133.69 1xl9 n PRO 107 Ca 0.18 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 62.18 1xl9 n PRO 107 Cb 0.40 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1xl9 n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xl9 s TYR 108 N 0.05 3.47 0.00 6.00 1.13 -1.26 -4.53 117.35 122.21 1xl9 s TYR 108 Ca 0.69 0.17 0.00 0.00 -1.41 0.00 0.00 57.07 56.52 1xl9 s TYR 108 Cb -0.63 -1.73 0.00 0.00 -1.10 0.00 0.00 41.96 38.50 1xl9 s TYR 108 CO 0.48 0.33 0.00 0.98 -2.51 0.00 0.00 175.55 174.84 1xl9 n TYR 109 N -1.35 0.00 1.06 -3.49 9.36 -1.26 -4.52 117.16 116.96 1xl9 n TYR 109 Ca -0.07 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.27 1xl9 n TYR 109 Cb 0.56 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.57 1xl9 n TYR 109 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1xl9 n ASN 110 N 1.99 2.38 -3.74 2.98 0.23 -1.26 -5.01 115.26 112.82 1xl9 n ASN 110 Ca 0.00 -1.79 -0.29 0.00 -0.53 0.00 0.00 54.58 51.97 1xl9 n ASN 110 Cb 0.00 -0.07 0.02 0.00 -2.08 0.00 0.00 39.78 37.65 1xl9 n ASN 110 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xl9 n LYS 111 N 0.82 -1.10 -1.52 -3.83 5.02 -1.26 -4.93 118.16 111.36 1xl9 n LYS 111 Ca 0.17 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.73 1xl9 n LYS 111 Cb 0.47 -3.28 0.07 0.00 -0.02 0.00 0.00 35.03 32.28 1xl9 n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xl9 s PRO 112 N -5.61 2.49 1.03 1.97 0.04 -1.26 -5.06 135.00 128.60 1xl9 s PRO 112 Ca 0.26 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1xl9 s PRO 112 Cb -0.11 -1.91 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1xl9 s PRO 112 CO 0.89 -1.49 1.20 -1.54 0.04 0.00 0.00 177.00 176.10 1xl9 s SER 113 N -2.80 2.48 0.07 6.66 1.04 -1.26 -4.84 113.70 115.06 1xl9 s SER 113 Ca 0.66 0.59 -0.19 0.00 0.48 0.00 0.00 55.95 57.49 1xl9 s SER 113 Cb -0.20 -0.86 -0.10 0.00 0.10 0.00 0.00 66.02 64.95 1xl9 s SER 113 CO 0.47 -3.15 1.45 1.56 0.98 0.00 0.00 173.24 174.54 1xl9 h GLN 114 N -1.92 0.44 -0.86 4.02 1.08 -1.97 -0.76 115.11 115.14 1xl9 h GLN 114 Ca -0.46 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 56.54 1xl9 h GLN 114 Cb 1.28 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.65 1xl9 h GLN 114 CO 0.44 0.70 0.48 1.49 -0.95 0.00 0.00 178.83 180.98 1xl9 h GLU 115 N 0.16 1.20 0.02 1.46 4.57 -1.99 -0.55 114.58 119.45 1xl9 h GLU 115 Ca 0.05 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1xl9 h GLU 115 Cb 0.55 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1xl9 h GLU 115 CO 0.03 0.87 -0.01 0.78 -1.18 0.00 0.00 179.01 179.50 1xl9 h GLY 116 N 1.22 -0.03 0.71 1.92 0.00 -1.88 -1.81 103.07 103.20 1xl9 h GLY 116 Ca 0.30 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.70 1xl9 h GLY 116 CO -0.05 -0.01 0.46 -0.33 0.00 0.00 0.00 176.54 176.61 1xl9 h MET 117 N -0.11 0.82 -0.31 4.80 2.86 -1.04 -1.45 114.93 120.50 1xl9 h MET 117 Ca -0.00 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1xl9 h MET 117 Cb 0.11 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 1xl9 h MET 117 CO 0.00 0.54 -0.13 -0.92 1.06 0.00 0.00 176.91 177.47 1xl9 h TYR 118 N 0.84 -0.30 -0.25 -0.22 3.20 -0.96 -1.31 116.97 117.97 1xl9 h TYR 118 Ca 0.34 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.12 1xl9 h TYR 118 Cb 0.17 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1xl9 h TYR 118 CO -0.05 -0.20 -0.34 1.96 -1.64 0.00 0.00 178.16 177.90 1xl9 h GLN 119 N -0.07 0.55 0.08 1.82 1.08 -1.07 0.04 115.11 117.53 1xl9 h GLN 119 Ca 0.16 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1xl9 h GLN 119 Cb 0.31 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1xl9 h GLN 119 CO -0.36 0.81 -0.30 1.25 -0.95 0.00 0.00 178.83 179.28 1xl9 h HIS 120 N 0.46 -0.83 -0.17 2.96 -0.00 -0.95 -1.42 115.15 115.21 1xl9 h HIS 120 Ca 0.05 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.23 1xl9 h HIS 120 Cb 0.81 0.35 0.01 0.00 -0.00 0.00 0.00 27.41 28.58 1xl9 h HIS 120 CO 0.03 -0.40 -0.74 0.74 -0.00 0.00 0.00 177.93 177.56 1xl9 h PHE 121 N -0.50 1.07 -0.31 5.26 0.04 -1.22 -2.42 116.94 118.86 1xl9 h PHE 121 Ca 0.04 -0.46 0.02 0.00 2.80 0.00 0.00 57.97 60.37 1xl9 h PHE 121 Cb 0.55 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1xl9 h PHE 121 CO -0.29 1.29 0.20 -0.22 -0.60 0.00 0.00 178.31 178.69 1xl9 h LYS 122 N 0.54 0.35 0.18 1.51 3.64 -0.91 -1.30 116.57 120.58 1xl9 h LYS 122 Ca -0.04 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.00 1xl9 h LYS 122 Cb 1.37 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 33.14 1xl9 h LYS 122 CO 0.15 0.23 -1.34 0.00 -2.27 0.00 0.00 179.45 176.22 1xl9 h ALA 123 N 1.82 -0.05 -0.08 5.00 0.00 -1.09 -1.89 119.26 122.96 1xl9 h ALA 123 Ca 0.12 -0.83 -0.20 0.00 0.00 0.00 0.00 54.91 54.01 1xl9 h ALA 123 Cb 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xl9 h ALA 123 CO -0.03 0.74 -0.77 0.82 0.00 0.00 0.00 179.25 180.01 1xl9 h ILE 124 N 0.19 1.37 -0.40 0.00 2.04 -1.32 -2.96 117.51 116.42 1xl9 h ILE 124 Ca -0.21 -2.16 -0.07 0.00 1.00 0.00 0.00 64.86 63.42 1xl9 h ILE 124 Cb 2.03 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 40.23 1xl9 h ILE 124 CO 0.25 0.65 -0.04 0.00 0.00 0.00 0.00 178.15 179.01 1xl9 h ALA 125 N 0.86 1.18 0.00 1.87 0.00 -1.30 -2.43 119.26 119.44 1xl9 h ALA 125 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xl9 h ALA 125 Cb 1.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xl9 h ALA 125 CO 0.14 0.53 0.00 1.49 0.00 0.00 0.00 179.25 181.40 1xl9 h GLU 126 N 0.62 0.00 -0.21 0.00 4.57 -1.22 -3.12 114.58 115.22 1xl9 h GLU 126 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1xl9 h GLU 126 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1xl9 h GLU 126 CO 0.02 0.00 0.00 -1.13 -1.18 0.00 0.00 179.01 176.72 1xl9 n SER 127 N -2.80 1.91 -3.67 1.04 3.41 -0.92 -4.90 113.62 107.70 1xl9 n SER 127 Ca 0.00 -1.77 -0.14 0.00 -0.26 0.00 0.00 58.87 56.70 1xl9 n SER 127 Cb 0.22 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1xl9 n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xl9 s THR 128 N -1.74 0.04 -0.27 6.66 -1.32 -1.18 -4.78 115.64 113.05 1xl9 s THR 128 Ca 0.32 -0.36 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 1xl9 s THR 128 Cb 0.18 -0.82 0.17 0.00 -1.51 0.00 0.00 72.50 70.52 1xl9 s THR 128 CO 0.26 -0.20 1.49 1.55 -2.21 0.00 0.00 174.62 175.52 1xl9 h PRO 129 N 3.38 0.00 -7.11 7.08 0.13 -1.90 -3.48 132.00 130.10 1xl9 h PRO 129 Ca -0.30 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.29 1xl9 h PRO 129 Cb 1.18 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.49 1xl9 h PRO 129 CO 0.41 0.28 0.27 1.28 -0.23 0.00 0.00 178.00 180.01 1xl9 n LEU 130 N -3.16 4.26 -4.74 1.56 4.32 -1.26 -4.93 117.00 113.06 1xl9 n LEU 130 Ca 0.03 0.63 -0.41 0.00 -0.02 0.00 0.00 56.01 56.23 1xl9 n LEU 130 Cb 0.65 -1.48 -0.02 0.00 -1.62 0.00 0.00 43.42 40.95 1xl9 n LEU 130 CO 0.38 -1.75 1.11 -2.84 -1.22 0.00 0.00 177.39 173.07 1xl9 s PRO 131 N -3.79 4.27 -0.10 3.23 0.02 -1.26 -4.81 135.00 132.56 1xl9 s PRO 131 Ca 0.74 2.29 -0.02 0.00 0.02 0.00 0.00 61.00 64.03 1xl9 s PRO 131 Cb -0.32 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 1xl9 s PRO 131 CO 0.50 -0.43 -0.02 0.08 -0.33 0.00 0.00 177.00 176.80 1xl9 s VAL 132 N 0.13 4.10 -0.23 3.83 1.01 0.50 -1.58 120.40 128.15 1xl9 s VAL 132 Ca 0.60 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1xl9 s VAL 132 Cb -0.42 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1xl9 s VAL 132 CO 0.42 0.57 -0.10 -0.32 0.00 0.00 0.00 175.10 175.67 1xl9 s MET 133 N -0.54 2.81 0.63 2.72 0.00 0.42 -1.63 119.30 123.71 1xl9 s MET 133 Ca 0.09 -0.98 -0.17 0.00 0.00 0.00 0.00 55.69 54.63 1xl9 s MET 133 Cb -0.12 -2.88 -0.02 0.00 0.00 0.00 0.00 34.83 31.82 1xl9 s MET 133 CO 0.02 -0.37 1.16 -0.51 0.00 0.00 0.00 175.02 175.32 1xl9 s LEU 134 N 1.29 3.54 -0.21 4.11 1.02 -0.24 -0.46 118.68 127.72 1xl9 s LEU 134 Ca 0.00 2.21 -0.04 0.00 0.02 0.00 0.00 54.13 56.32 1xl9 s LEU 134 Cb -0.16 -4.58 0.07 0.00 0.02 0.00 0.00 46.19 41.54 1xl9 s LEU 134 CO -0.06 -1.63 0.09 -0.47 0.02 0.00 0.00 176.35 174.29 1xl9 s TYR 135 N -1.94 0.52 -0.22 0.29 5.04 -0.93 -0.40 117.35 119.71 1xl9 s TYR 135 Ca 0.72 -0.68 -0.14 0.00 -2.44 0.00 0.00 57.07 54.54 1xl9 s TYR 135 Cb -0.25 -0.89 -0.04 0.00 0.35 0.00 0.00 41.96 41.12 1xl9 s TYR 135 CO 0.36 -0.64 0.31 1.21 -1.34 0.00 0.00 175.55 175.45 1xl9 s ASN 136 N 2.03 6.30 -0.44 4.32 2.47 -0.66 -1.18 114.94 127.78 1xl9 s ASN 136 Ca 0.04 0.34 0.08 0.00 0.42 0.00 0.00 52.86 53.73 1xl9 s ASN 136 Cb -0.16 -2.18 0.31 0.00 -1.45 0.00 0.00 41.25 37.77 1xl9 s ASN 136 CO -0.17 -0.04 0.96 0.55 -3.72 0.00 0.00 177.10 174.68 1xl9 n VAL 137 N 4.42 -0.08 -0.41 -5.21 3.14 -1.26 -0.82 118.33 118.10 1xl9 n VAL 137 Ca -0.11 -2.43 0.33 0.00 -2.96 0.00 0.00 64.34 59.17 1xl9 n VAL 137 Cb 0.51 0.85 0.61 0.00 -1.06 0.00 0.00 33.84 34.75 1xl9 n VAL 137 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1xl9 h PRO 138 N 3.18 0.16 0.00 1.45 0.13 -1.80 0.98 132.00 136.10 1xl9 h PRO 138 Ca -0.05 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1xl9 h PRO 138 Cb 1.05 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xl9 h PRO 138 CO 0.27 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.55 1xl9 n GLY 139 N -1.49 -0.67 0.00 1.56 0.00 -1.26 0.19 105.19 103.51 1xl9 n GLY 139 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1xl9 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl9 n ARG 140 N -1.21 1.75 -0.00 1.61 1.74 0.17 -4.84 116.66 115.88 1xl9 n ARG 140 Ca 0.08 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.25 1xl9 n ARG 140 Cb 0.10 -0.79 -0.12 0.00 -1.02 0.00 0.00 32.46 30.63 1xl9 n ARG 140 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xl9 n SER 141 N -1.55 0.95 0.00 0.55 7.64 -0.22 -4.72 113.62 116.27 1xl9 n SER 141 Ca 0.00 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1xl9 n SER 141 Cb 0.29 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1xl9 n SER 141 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xl9 n ILE 142 N -1.49 0.00 -1.92 0.44 5.41 0.13 -4.35 119.36 117.57 1xl9 n ILE 142 Ca 0.04 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.43 1xl9 n ILE 142 Cb 0.32 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.29 1xl9 n ILE 142 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1xl9 s VAL 143 N 0.00 2.56 0.10 1.39 -7.23 -1.26 -4.71 120.40 111.24 1xl9 s VAL 143 Ca 0.00 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1xl9 s VAL 143 Cb 0.00 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 1xl9 s VAL 143 CO 0.00 -0.09 0.25 -1.10 -0.31 0.00 0.00 175.10 173.86 1xl9 s GLN 144 N -3.42 3.46 -0.52 4.82 -1.52 -1.26 -3.69 119.66 117.53 1xl9 s GLN 144 Ca 0.77 -0.44 -0.23 0.00 -1.95 0.00 0.00 55.36 53.51 1xl9 s GLN 144 Cb -0.31 -2.99 0.04 0.00 -0.22 0.00 0.00 33.01 29.53 1xl9 s GLN 144 CO 0.35 0.56 0.86 0.42 -0.25 0.00 0.00 175.29 177.23 1xl9 s ILE 145 N -1.60 4.53 0.62 1.08 1.01 -1.26 -4.95 121.20 120.62 1xl9 s ILE 145 Ca 0.36 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.00 1xl9 s ILE 145 Cb -0.12 -4.45 -0.02 0.00 0.01 0.00 0.00 42.46 37.87 1xl9 s ILE 145 CO 0.28 -0.98 1.31 -0.94 0.00 0.00 0.00 174.94 174.62 1xl9 s SER 146 N 2.66 4.82 0.31 3.58 1.04 -1.26 -4.69 113.70 120.16 1xl9 s SER 146 Ca 0.28 2.66 0.02 0.00 0.48 0.00 0.00 55.95 59.39 1xl9 s SER 146 Cb -0.14 -2.62 0.76 0.00 0.10 0.00 0.00 66.02 64.12 1xl9 s SER 146 CO 0.19 -1.87 1.58 0.58 0.98 0.00 0.00 173.24 174.71 1xl9 h VAL 147 N 0.83 0.07 -0.51 5.02 2.07 -1.95 -1.17 116.25 120.60 1xl9 h VAL 147 Ca -0.51 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1xl9 h VAL 147 Cb 1.33 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1xl9 h VAL 147 CO 0.54 0.01 0.14 0.44 0.02 0.00 0.00 177.57 178.72 1xl9 h ASP 148 N 0.04 0.77 -0.76 0.57 3.32 -1.99 -0.61 116.42 117.75 1xl9 h ASP 148 Ca 0.60 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.38 1xl9 h ASP 148 Cb 1.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1xl9 h ASP 148 CO -0.87 0.79 0.30 0.74 -1.72 0.00 0.00 179.24 178.48 1xl9 h THR 149 N 0.71 1.26 -0.24 0.35 2.02 -1.60 -1.96 112.91 113.45 1xl9 h THR 149 Ca 0.16 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1xl9 h THR 149 Cb 0.31 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1xl9 h THR 149 CO -0.00 0.33 0.04 0.58 0.37 0.00 0.00 175.52 176.84 1xl9 h VAL 150 N 1.12 1.22 -0.97 3.16 2.07 -0.88 -2.46 116.25 119.51 1xl9 h VAL 150 Ca 0.26 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 67.09 1xl9 h VAL 150 Cb 0.22 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1xl9 h VAL 150 CO -0.02 0.24 0.63 0.58 0.02 0.00 0.00 177.57 179.01 1xl9 h VAL 151 N 0.20 1.10 -0.86 2.57 2.07 -0.91 -0.14 116.25 120.29 1xl9 h VAL 151 Ca 0.07 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1xl9 h VAL 151 Cb 0.31 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1xl9 h VAL 151 CO 0.00 0.21 0.56 0.03 0.02 0.00 0.00 177.57 178.40 1xl9 h ARG 152 N 1.16 1.13 0.04 1.57 3.08 -1.26 -3.13 114.38 116.97 1xl9 h ARG 152 Ca 0.41 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 60.15 1xl9 h ARG 152 Cb 0.13 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1xl9 h ARG 152 CO -0.16 0.76 -1.12 -0.07 -1.07 0.00 0.00 179.97 178.30 1xl9 h LEU 153 N 1.16 0.15 -1.49 3.04 3.38 -0.72 -3.09 115.31 117.74 1xl9 h LEU 153 Ca 0.31 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1xl9 h LEU 153 Cb -0.12 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1xl9 h LEU 153 CO -0.07 1.13 0.42 0.77 0.09 0.00 0.00 178.44 180.78 1xl9 h SER 154 N 0.03 0.54 0.00 -0.43 4.64 -1.05 -1.27 113.55 116.00 1xl9 h SER 154 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1xl9 h SER 154 Cb 1.85 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1xl9 h SER 154 CO 0.15 0.35 0.18 1.21 -0.87 0.00 0.00 176.83 177.84 1xl9 n GLU 155 N -4.48 0.01 -3.92 4.77 4.07 -1.17 -4.59 120.64 115.34 1xl9 n GLU 155 Ca 0.09 0.36 -0.37 0.00 -0.06 0.00 0.00 57.16 57.19 1xl9 n GLU 155 Cb 0.25 -1.71 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 1xl9 n GLU 155 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xl9 s ILE 156 N -2.75 5.39 0.18 6.31 1.01 -0.48 -5.00 121.20 125.87 1xl9 s ILE 156 Ca -0.00 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1xl9 s ILE 156 Cb 0.01 -3.35 0.10 0.00 0.01 0.00 0.00 42.46 39.23 1xl9 s ILE 156 CO 0.02 0.61 1.75 -0.08 0.00 0.00 0.00 174.94 177.23 1xl9 h GLU 157 N 5.09 0.98 -0.47 2.79 4.81 -1.86 -0.99 114.58 124.93 1xl9 h GLU 157 Ca -0.54 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1xl9 h GLU 157 Cb 1.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1xl9 h GLU 157 CO 0.59 0.81 0.00 0.27 -0.73 0.00 0.00 179.01 179.95 1xl9 n ASN 158 N -4.42 3.43 -4.41 1.04 6.94 -1.26 -4.70 115.26 111.88 1xl9 n ASN 158 Ca 0.05 -1.98 -0.44 0.00 -0.02 0.00 0.00 54.58 52.19 1xl9 n ASN 158 Cb 0.17 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.23 1xl9 n ASN 158 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xl9 s ILE 159 N -1.39 4.73 -0.09 1.53 1.01 -0.37 0.19 121.20 126.80 1xl9 s ILE 159 Ca 0.41 -0.74 0.11 0.00 0.00 0.00 0.00 60.65 60.43 1xl9 s ILE 159 Cb 0.23 -4.49 -0.16 0.00 0.01 0.00 0.00 42.46 38.05 1xl9 s ILE 159 CO 0.31 -1.12 0.11 1.33 0.00 0.00 0.00 174.94 175.57 1xl9 n VAL 160 N 5.65 0.58 -4.05 2.92 0.24 -0.64 -4.55 118.33 118.47 1xl9 n VAL 160 Ca -0.08 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.68 1xl9 n VAL 160 Cb 0.44 -0.43 -0.08 0.00 -1.47 0.00 0.00 33.84 32.30 1xl9 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xl9 s ALA 161 N -2.46 0.41 -0.03 2.33 0.00 -1.16 -1.54 121.76 119.31 1xl9 s ALA 161 Ca -0.06 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1xl9 s ALA 161 Cb 0.05 0.84 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1xl9 s ALA 161 CO 0.50 -0.56 0.03 -1.50 0.00 0.00 0.00 175.76 174.24 1xl9 s ILE 162 N -4.00 -0.03 -0.35 0.00 2.07 -0.83 -1.08 121.20 116.98 1xl9 s ILE 162 Ca 0.20 0.25 -0.27 0.00 -1.41 0.00 0.00 60.65 59.42 1xl9 s ILE 162 Cb 0.05 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.52 1xl9 s ILE 162 CO 0.00 0.13 0.98 -0.75 -1.91 0.00 0.00 174.94 173.39 1xl9 s LYS 163 N 1.37 3.94 -0.48 3.50 2.20 0.47 -0.57 119.74 130.17 1xl9 s LYS 163 Ca -0.05 0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 56.26 1xl9 s LYS 163 Cb -0.13 -3.77 0.12 0.00 -1.51 0.00 0.00 37.83 32.54 1xl9 s LYS 163 CO -0.03 -0.93 0.35 0.34 -0.36 0.00 0.00 175.35 174.72 1xl9 s ASP 164 N 1.79 5.64 -0.40 1.43 -1.08 -0.07 -1.66 116.67 122.33 1xl9 s ASP 164 Ca 0.41 -2.03 0.03 0.00 -0.52 0.00 0.00 52.55 50.44 1xl9 s ASP 164 Cb -0.12 -1.98 0.56 0.00 -1.46 0.00 0.00 42.92 39.92 1xl9 s ASP 164 CO 0.17 -0.65 1.81 0.00 0.52 0.00 0.00 175.17 177.03 1xl9 n ALA 165 N 4.73 5.25 0.49 3.66 0.00 -0.00 -0.90 120.51 133.74 1xl9 n ALA 165 Ca -0.05 -2.54 0.12 0.00 0.00 0.00 0.00 53.44 50.97 1xl9 n ALA 165 Cb 0.41 -1.41 0.46 0.00 0.00 0.00 0.00 19.45 18.90 1xl9 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl9 n GLY 166 N -0.88 -1.41 2.23 0.00 0.00 -1.25 -4.56 105.19 99.31 1xl9 n GLY 166 Ca 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.56 1xl9 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl9 n GLY 167 N 0.47 0.47 2.81 -0.02 0.00 -1.26 -4.97 105.19 102.69 1xl9 n GLY 167 Ca 0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1xl9 n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xl9 s ASP 168 N -2.21 3.93 0.32 1.61 -1.08 -1.26 -4.98 116.67 112.99 1xl9 s ASP 168 Ca 0.00 -1.49 0.26 0.00 -0.52 0.00 0.00 52.55 50.80 1xl9 s ASP 168 Cb 0.00 -0.99 1.06 0.00 -1.46 0.00 0.00 42.92 41.53 1xl9 s ASP 168 CO 0.00 -0.36 1.77 -0.37 0.52 0.00 0.00 175.17 176.74 1xl9 h VAL 169 N 6.55 0.00 0.01 1.11 -1.51 -1.97 -2.80 116.25 117.64 1xl9 h VAL 169 Ca -0.14 -0.30 -0.19 0.00 -1.23 0.00 0.00 66.70 64.84 1xl9 h VAL 169 Cb 1.04 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1xl9 h VAL 169 CO 0.45 0.00 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.84 1xl9 h LEU 170 N 0.00 0.10 -0.13 4.19 3.38 -1.99 -0.51 115.31 120.36 1xl9 h LEU 170 Ca 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1xl9 h LEU 170 Cb 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xl9 h LEU 170 CO 0.00 0.93 -0.14 0.00 0.09 0.00 0.00 178.44 179.32 1xl9 h THR 171 N 0.04 1.35 -0.27 0.22 1.03 -1.95 -2.55 112.91 110.78 1xl9 h THR 171 Ca -0.03 -1.31 0.05 0.00 -0.01 0.00 0.00 66.41 65.12 1xl9 h THR 171 Cb 1.53 1.93 -0.05 0.00 -1.07 0.00 0.00 68.15 70.49 1xl9 h THR 171 CO 0.12 0.38 -0.04 0.24 -0.01 0.00 0.00 175.52 176.21 1xl9 h MET 172 N -0.07 0.03 -0.62 0.00 2.86 -1.47 -1.85 114.93 113.81 1xl9 h MET 172 Ca 0.02 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1xl9 h MET 172 Cb 0.67 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 1xl9 h MET 172 CO 0.03 0.02 0.41 1.79 1.06 0.00 0.00 176.91 180.22 1xl9 h THR 173 N 0.03 1.01 -0.19 2.22 1.35 -1.04 -0.25 112.91 116.05 1xl9 h THR 173 Ca 0.13 -0.22 -0.13 0.00 -0.55 0.00 0.00 66.41 65.64 1xl9 h THR 173 Cb 0.19 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 1xl9 h THR 173 CO -0.25 0.12 -0.42 -0.08 -0.25 0.00 0.00 175.52 174.64 1xl9 h GLU 174 N 0.63 0.45 -0.26 4.72 4.81 -0.93 -1.51 114.58 122.50 1xl9 h GLU 174 Ca 0.27 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1xl9 h GLU 174 Cb 0.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xl9 h GLU 174 CO -0.08 0.79 -0.52 0.82 -0.73 0.00 0.00 179.01 179.29 1xl9 h ILE 175 N 0.37 1.29 0.38 2.32 2.04 -0.50 -1.85 117.51 121.56 1xl9 h ILE 175 Ca 0.03 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 1xl9 h ILE 175 Cb 0.89 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1xl9 h ILE 175 CO 0.08 0.55 -0.18 0.40 0.00 0.00 0.00 178.15 179.00 1xl9 h ILE 176 N 0.58 0.63 -0.34 -0.67 2.04 -0.84 -1.78 117.51 117.13 1xl9 h ILE 176 Ca 0.02 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1xl9 h ILE 176 Cb 1.10 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 1xl9 h ILE 176 CO 0.11 0.05 -0.32 -0.08 0.00 0.00 0.00 178.15 177.91 1xl9 h GLU 177 N -0.64 -0.27 0.00 2.37 4.81 -1.26 -2.93 114.58 116.67 1xl9 h GLU 177 Ca -0.05 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xl9 h GLU 177 Cb 0.46 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1xl9 h GLU 177 CO 0.09 -0.18 -0.26 0.87 -0.73 0.00 0.00 179.01 178.80 1xl9 h LYS 178 N -0.28 0.00 -6.23 1.92 1.79 -1.36 -3.44 116.57 108.97 1xl9 h LYS 178 Ca 0.15 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.06 1xl9 h LYS 178 Cb 0.53 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1xl9 h LYS 178 CO -0.49 0.00 -0.27 0.95 -1.08 0.00 0.00 179.45 178.55 1xl9 s THR 179 N -3.19 5.13 0.79 -0.16 -4.23 -0.67 -5.00 115.64 108.31 1xl9 s THR 179 Ca 0.07 0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1xl9 s THR 179 Cb 0.09 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.32 1xl9 s THR 179 CO 0.67 -0.01 0.79 0.00 -0.54 0.00 0.00 174.62 175.53 1xl9 n ALA 180 N -0.03 -1.06 0.28 3.99 0.00 -1.26 -4.84 120.51 117.59 1xl9 n ALA 180 Ca -0.02 -0.33 0.17 0.00 0.00 0.00 0.00 53.44 53.26 1xl9 n ALA 180 Cb 0.52 -2.01 0.76 0.00 0.00 0.00 0.00 19.45 18.72 1xl9 n ALA 180 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xl9 h ASP 181 N -0.75 0.00 -0.23 0.00 3.32 -1.96 -0.78 116.42 116.02 1xl9 h ASP 181 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xl9 h ASP 181 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1xl9 h ASP 181 CO 0.43 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.09 1xl9 n ASP 182 N -3.19 1.32 -4.49 6.45 5.75 -1.26 -4.72 116.55 116.42 1xl9 n ASP 182 Ca -0.00 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 1xl9 n ASP 182 Cb 0.27 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 1xl9 n ASP 182 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1xl9 s PHE 183 N -1.69 3.22 -0.25 2.11 5.36 -0.30 -4.82 117.98 121.60 1xl9 s PHE 183 Ca 0.19 -0.42 -0.20 0.00 -0.96 0.00 0.00 56.93 55.54 1xl9 s PHE 183 Cb 0.10 -2.64 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 1xl9 s PHE 183 CO 0.14 -0.55 0.64 0.00 -1.46 0.00 0.00 175.22 173.98 1xl9 s ALA 184 N 1.81 3.61 -0.26 11.12 0.00 -0.59 -4.90 121.76 132.56 1xl9 s ALA 184 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 1xl9 s ALA 184 Cb -0.18 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1xl9 s ALA 184 CO 0.11 -0.82 0.13 0.08 0.00 0.00 0.00 175.76 175.26 1xl9 s VAL 185 N 2.52 4.85 -0.01 0.00 1.01 -1.26 -1.97 120.40 125.54 1xl9 s VAL 185 Ca 0.26 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1xl9 s VAL 185 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1xl9 s VAL 185 CO 0.08 0.30 -0.13 -0.31 0.00 0.00 0.00 175.10 175.05 1xl9 s TYR 186 N 1.60 2.72 0.49 5.22 2.02 0.27 -0.65 117.35 129.03 1xl9 s TYR 186 Ca 0.07 -0.14 -0.21 0.00 -0.37 0.00 0.00 57.07 56.41 1xl9 s TYR 186 Cb -0.15 -1.58 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 1xl9 s TYR 186 CO 0.07 0.26 1.12 0.45 -1.57 0.00 0.00 175.55 175.88 1xl9 s SER 187 N -1.10 6.06 -0.12 2.29 0.15 -0.27 -0.89 113.70 119.81 1xl9 s SER 187 Ca 0.14 2.16 0.15 0.00 0.70 0.00 0.00 55.95 59.10 1xl9 s SER 187 Cb -0.11 -2.58 0.35 0.00 -1.71 0.00 0.00 66.02 61.96 1xl9 s SER 187 CO 0.04 -0.99 1.24 0.61 1.20 0.00 0.00 173.24 175.34 1xl9 n GLY 188 N 0.19 4.14 2.92 9.45 0.00 -0.08 -0.60 105.19 121.21 1xl9 n GLY 188 Ca 0.09 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1xl9 n GLY 188 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xl9 s ASP 189 N -2.12 3.35 0.13 1.61 1.01 -1.26 -4.68 116.67 114.71 1xl9 s ASP 189 Ca 0.31 -0.92 -0.29 0.00 0.71 0.00 0.00 52.55 52.36 1xl9 s ASP 189 Cb 0.25 -1.06 -0.06 0.00 1.01 0.00 0.00 42.92 43.07 1xl9 s ASP 189 CO 0.06 -0.21 1.58 0.44 0.21 0.00 0.00 175.17 177.25 1xl9 h ASP 190 N 8.04 -1.41 -0.07 0.27 3.32 -1.93 -1.22 116.42 123.42 1xl9 h ASP 190 Ca -0.22 0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1xl9 h ASP 190 Cb 1.09 0.58 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 1xl9 h ASP 190 CO 0.42 -0.42 0.20 1.23 -1.72 0.00 0.00 179.24 178.94 1xl9 h GLY 191 N -0.47 0.00 -0.52 2.75 0.00 -1.94 -0.58 103.07 102.31 1xl9 h GLY 191 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xl9 h GLY 191 CO -0.44 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.14 1xl9 n LEU 192 N -3.24 1.35 -0.20 3.11 4.77 -0.47 -4.45 117.00 117.88 1xl9 n LEU 192 Ca -0.01 -0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 55.32 1xl9 n LEU 192 Cb 0.28 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1xl9 n LEU 192 CO 0.20 0.28 0.55 0.74 -1.33 0.00 0.00 177.39 177.83 1xl9 h THR 193 N 1.83 0.06 0.17 -5.08 2.02 -1.07 0.13 112.91 110.97 1xl9 h THR 193 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1xl9 h THR 193 Cb 0.40 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1xl9 h THR 193 CO 0.00 0.00 -0.08 0.25 0.37 0.00 0.00 175.52 176.06 1xl9 h LEU 194 N -0.26 -0.20 -1.98 2.58 5.85 -1.82 -1.62 115.31 117.87 1xl9 h LEU 194 Ca 0.15 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1xl9 h LEU 194 Cb 0.57 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1xl9 h LEU 194 CO -0.67 0.17 -0.06 1.55 -0.34 0.00 0.00 178.44 179.09 1xl9 h PRO 195 N -0.58 0.00 0.03 5.25 0.13 -1.84 -0.35 132.00 134.65 1xl9 h PRO 195 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.86 1xl9 h PRO 195 Cb 0.44 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.58 1xl9 h PRO 195 CO 0.04 0.06 -1.03 0.00 -0.23 0.00 0.00 178.00 176.83 1xl9 h ALA 196 N 1.94 0.25 -0.35 -0.56 0.00 -0.56 -2.86 119.26 117.12 1xl9 h ALA 196 Ca -0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 54.91 54.02 1xl9 h ALA 196 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xl9 h ALA 196 CO 0.01 0.80 -0.37 0.52 0.00 0.00 0.00 179.25 180.20 1xl9 h MET 197 N 0.24 0.87 -0.98 0.00 2.86 -1.00 0.32 114.93 117.25 1xl9 h MET 197 Ca -0.11 -0.47 0.35 0.00 -2.06 0.00 0.00 59.70 57.41 1xl9 h MET 197 Cb 1.68 0.02 -0.18 0.00 0.06 0.00 0.00 31.60 33.19 1xl9 h MET 197 CO 0.18 1.11 0.30 0.00 1.06 0.00 0.00 176.91 179.57 1xl9 n ALA 198 N -2.53 0.78 1.15 6.32 0.00 -0.17 -1.41 120.51 124.65 1xl9 n ALA 198 Ca -0.03 1.02 0.12 0.00 0.00 0.00 0.00 53.44 54.55 1xl9 n ALA 198 Cb 0.53 -0.90 0.20 0.00 0.00 0.00 0.00 19.45 19.29 1xl9 n ALA 198 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xl9 n VAL 199 N -5.32 0.00 0.00 0.00 0.24 -0.87 -4.94 118.33 107.43 1xl9 n VAL 199 Ca 0.31 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1xl9 n VAL 199 Cb 1.04 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 34.37 1xl9 n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 200 N 1.34 0.38 3.77 7.63 0.00 -0.50 -4.83 105.19 112.99 1xl9 n GLY 200 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1xl9 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl9 s ALA 201 N -1.33 3.36 0.22 4.61 0.00 0.03 -4.85 121.76 123.80 1xl9 s ALA 201 Ca 0.00 1.38 0.21 0.00 0.00 0.00 0.00 51.96 53.55 1xl9 s ALA 201 Cb 0.00 -3.54 0.87 0.00 0.00 0.00 0.00 23.12 20.45 1xl9 s ALA 201 CO 0.00 -0.96 1.82 -0.22 0.00 0.00 0.00 175.76 176.41 1xl9 h LYS 202 N 2.75 0.00 0.00 0.00 3.64 -1.21 -3.39 116.57 118.35 1xl9 h LYS 202 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1xl9 h LYS 202 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1xl9 h LYS 202 CO 0.63 0.30 0.00 0.41 -2.27 0.00 0.00 179.45 178.52 1xl9 n GLY 203 N -0.02 -0.58 3.17 5.01 0.00 -1.26 -4.55 105.19 106.97 1xl9 n GLY 203 Ca -0.01 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1xl9 n GLY 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xl9 s ILE 204 N -3.45 1.53 -0.45 -0.61 1.10 -0.62 -1.12 121.20 117.58 1xl9 s ILE 204 Ca 0.00 -0.80 -0.20 0.00 -0.51 0.00 0.00 60.65 59.14 1xl9 s ILE 204 Cb 0.00 -1.29 0.03 0.00 0.15 0.00 0.00 42.46 41.35 1xl9 s ILE 204 CO 0.00 0.44 0.62 -0.69 -2.11 0.00 0.00 174.94 173.20 1xl9 s VAL 205 N -0.20 4.86 0.17 4.00 1.01 0.23 -1.64 120.40 128.83 1xl9 s VAL 205 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1xl9 s VAL 205 Cb -0.10 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1xl9 s VAL 205 CO 0.01 -0.63 0.01 -0.55 0.00 0.00 0.00 175.10 173.94 1xl9 s SER 206 N 2.13 4.86 -0.08 3.32 0.15 0.10 -4.53 113.70 119.65 1xl9 s SER 206 Ca 0.20 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.55 1xl9 s SER 206 Cb -0.15 -1.07 -0.09 0.00 -1.71 0.00 0.00 66.02 63.00 1xl9 s SER 206 CO 0.17 0.09 0.01 0.52 1.20 0.00 0.00 173.24 175.23 1xl9 n VAL 207 N -0.09 0.52 0.26 4.45 0.31 -1.26 -0.33 118.33 122.19 1xl9 n VAL 207 Ca -0.10 -0.30 0.16 0.00 -0.01 0.00 0.00 64.34 64.09 1xl9 n VAL 207 Cb 0.55 -0.81 0.54 0.00 -0.91 0.00 0.00 33.84 33.21 1xl9 n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xl9 h ALA 208 N 0.31 1.00 0.00 3.52 0.00 -1.96 -3.05 119.26 119.08 1xl9 h ALA 208 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xl9 h ALA 208 Cb 1.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1xl9 h ALA 208 CO 0.00 0.00 0.02 0.66 0.00 0.00 0.00 179.25 179.93 1xl9 h SER 209 N 0.00 0.00 -0.45 0.00 4.64 -1.85 0.20 113.55 116.09 1xl9 h SER 209 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1xl9 h SER 209 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1xl9 h SER 209 CO 0.00 0.00 0.31 0.45 -0.87 0.00 0.00 176.83 176.72 1xl9 h HIS 210 N 0.00 0.32 0.00 4.77 3.86 -1.87 -3.18 115.15 119.05 1xl9 h HIS 210 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1xl9 h HIS 210 Cb 0.03 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1xl9 h HIS 210 CO 0.00 0.17 -0.80 1.33 0.86 0.00 0.00 177.93 179.49 1xl9 n VAL 211 N -4.47 0.00 -2.73 2.45 0.24 -0.10 -4.87 118.33 108.85 1xl9 n VAL 211 Ca 0.06 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.34 62.26 1xl9 n VAL 211 Cb 0.29 0.52 0.04 0.00 -1.47 0.00 0.00 33.84 33.22 1xl9 n VAL 211 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xl9 n ILE 212 N -1.31 1.20 -0.22 1.34 -5.35 -0.30 -4.93 119.36 109.80 1xl9 n ILE 212 Ca 0.00 -3.06 -0.07 0.00 -0.27 0.00 0.00 62.75 59.35 1xl9 n ILE 212 Cb 0.00 0.89 0.03 0.00 -1.74 0.00 0.00 39.64 38.83 1xl9 n ILE 212 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1xl9 h GLY 213 N 2.78 1.01 0.86 3.28 0.00 -1.71 -2.01 103.07 107.27 1xl9 h GLY 213 Ca -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1xl9 h GLY 213 CO 0.36 0.53 -0.04 3.43 0.00 0.00 0.00 176.54 180.82 1xl9 h ASN 214 N 0.88 -0.11 -0.56 0.19 2.35 -1.88 0.07 115.58 116.51 1xl9 h ASN 214 Ca 0.21 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1xl9 h ASN 214 Cb 0.22 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1xl9 h ASN 214 CO -0.01 -0.05 0.37 -0.33 -1.65 0.00 0.00 177.43 175.76 1xl9 h GLU 215 N -0.05 0.65 -0.09 0.81 3.07 -1.90 0.17 114.58 117.23 1xl9 h GLU 215 Ca 0.03 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1xl9 h GLU 215 Cb 0.09 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1xl9 h GLU 215 CO -0.07 0.43 -0.14 0.52 -1.40 0.00 0.00 179.01 178.36 1xl9 h MET 216 N 0.67 0.26 -0.49 2.33 2.86 -0.85 0.11 114.93 119.82 1xl9 h MET 216 Ca 0.22 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1xl9 h MET 216 Cb 0.07 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1xl9 h MET 216 CO -0.06 0.72 -0.02 0.37 1.06 0.00 0.00 176.91 178.98 1xl9 h GLN 217 N -0.18 0.09 0.48 1.72 4.15 -0.49 -0.73 115.11 120.16 1xl9 h GLN 217 Ca 0.01 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1xl9 h GLN 217 Cb 0.69 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1xl9 h GLN 217 CO 0.03 0.06 -0.50 1.49 -1.93 0.00 0.00 178.83 177.98 1xl9 h GLU 218 N 0.10 -0.95 -0.63 1.69 4.81 -0.41 -1.81 114.58 117.37 1xl9 h GLU 218 Ca 0.24 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.66 1xl9 h GLU 218 Cb 0.37 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 1xl9 h GLU 218 CO -0.42 -0.63 -0.25 1.98 -0.73 0.00 0.00 179.01 178.96 1xl9 h MET 219 N -0.99 -0.08 -0.95 1.92 4.05 -0.43 -0.57 114.93 117.88 1xl9 h MET 219 Ca -0.06 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1xl9 h MET 219 Cb 0.86 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.63 1xl9 h MET 219 CO -0.07 -0.05 0.63 0.82 0.23 0.00 0.00 176.91 178.46 1xl9 h ILE 220 N -0.08 1.20 -0.35 1.77 2.04 -1.00 -1.76 117.51 119.32 1xl9 h ILE 220 Ca 0.28 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 1xl9 h ILE 220 Cb 0.52 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1xl9 h ILE 220 CO -0.68 0.23 -0.16 0.00 0.00 0.00 0.00 178.15 177.53 1xl9 h ALA 221 N 1.37 0.49 -0.24 1.87 0.00 -0.33 -1.31 119.26 121.12 1xl9 h ALA 221 Ca 0.36 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1xl9 h ALA 221 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xl9 h ALA 221 CO -0.10 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 1xl9 h ALA 222 N 0.79 1.47 0.17 0.00 0.00 -0.94 0.38 119.26 121.12 1xl9 h ALA 222 Ca 0.08 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.50 1xl9 h ALA 222 Cb 0.70 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xl9 h ALA 222 CO 0.05 0.38 -1.32 0.35 0.00 0.00 0.00 179.25 178.71 1xl9 h PHE 223 N 0.35 0.84 0.00 0.00 3.57 -1.17 0.19 116.94 120.72 1xl9 h PHE 223 Ca 0.08 -0.58 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 1xl9 h PHE 223 Cb 0.33 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1xl9 h PHE 223 CO 0.01 1.44 -0.23 1.96 -2.23 0.00 0.00 178.31 179.25 1xl9 h GLN 224 N 0.17 0.00 0.00 1.11 4.20 -1.07 -2.16 115.11 117.36 1xl9 h GLN 224 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1xl9 h GLN 224 Cb 2.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.79 1xl9 h GLN 224 CO 0.24 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1xl9 n ALA 225 N -2.36 2.35 -1.17 3.87 0.00 0.11 -4.90 120.51 118.41 1xl9 n ALA 225 Ca -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1xl9 n ALA 225 Cb 0.33 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 1xl9 n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl9 n GLY 226 N 0.88 0.78 3.41 0.00 0.00 -0.81 -4.97 105.19 104.48 1xl9 n GLY 226 Ca 0.14 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1xl9 n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xl9 s GLU 227 N -2.05 4.11 0.13 1.61 -6.30 0.67 -4.88 118.70 111.99 1xl9 s GLU 227 Ca 0.00 -2.81 -0.11 0.00 -2.50 0.00 0.00 54.97 49.54 1xl9 s GLU 227 Cb 0.00 -4.84 -0.08 0.00 0.00 0.00 0.00 34.13 29.21 1xl9 s GLU 227 CO 0.00 -1.55 1.41 0.74 0.02 0.00 0.00 175.26 175.88 1xl9 h PHE 228 N 7.02 1.09 -0.63 5.30 0.04 -1.92 -2.21 116.94 125.63 1xl9 h PHE 228 Ca 0.25 -0.39 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 1xl9 h PHE 228 Cb 0.88 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 1xl9 h PHE 228 CO 0.96 1.22 0.29 0.87 -0.60 0.00 0.00 178.31 181.05 1xl9 h LYS 229 N 0.66 0.90 0.06 1.51 6.56 -1.94 -0.10 116.57 124.22 1xl9 h LYS 229 Ca 0.01 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1xl9 h LYS 229 Cb 1.16 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 1xl9 h LYS 229 CO 0.12 0.71 -0.03 -0.22 -2.06 0.00 0.00 179.45 177.97 1xl9 h LYS 230 N 0.90 -0.08 -0.37 3.15 3.64 -1.89 -2.62 116.57 119.30 1xl9 h LYS 230 Ca 0.22 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1xl9 h LYS 230 Cb 0.12 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1xl9 h LYS 230 CO -0.03 0.22 0.22 0.00 -2.27 0.00 0.00 179.45 177.59 1xl9 h ALA 231 N 0.53 0.47 -0.74 5.00 0.00 -1.21 -2.88 119.26 120.43 1xl9 h ALA 231 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xl9 h ALA 231 Cb 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xl9 h ALA 231 CO 0.01 -0.03 0.48 1.96 0.00 0.00 0.00 179.25 181.68 1xl9 h GLN 232 N 0.48 0.98 -0.45 0.00 4.20 -1.02 0.66 115.11 119.96 1xl9 h GLN 232 Ca 0.13 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1xl9 h GLN 232 Cb 0.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1xl9 h GLN 232 CO -0.02 0.66 0.19 -0.22 -0.67 0.00 0.00 178.83 178.76 1xl9 h LYS 233 N 1.01 0.68 -0.28 1.46 3.11 -1.32 -2.05 116.57 119.18 1xl9 h LYS 233 Ca 0.27 -0.12 -0.16 0.00 -2.81 0.00 0.00 60.65 57.83 1xl9 h LYS 233 Cb -0.10 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.01 1xl9 h LYS 233 CO -0.06 0.61 -0.45 -0.07 -2.81 0.00 0.00 179.45 176.67 1xl9 h LEU 234 N 0.59 0.88 -0.83 5.20 3.38 -1.18 -2.97 115.31 120.38 1xl9 h LEU 234 Ca 0.15 -0.52 0.19 0.00 0.09 0.00 0.00 57.88 57.80 1xl9 h LEU 234 Cb 0.18 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 40.56 1xl9 h LEU 234 CO -0.01 1.23 0.29 -0.74 0.09 0.00 0.00 178.44 179.29 1xl9 h HIS 235 N 0.56 0.47 -0.00 1.13 2.76 0.40 -0.93 115.15 119.53 1xl9 h HIS 235 Ca 0.02 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 1xl9 h HIS 235 Cb 1.05 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1xl9 h HIS 235 CO 0.08 -0.07 -0.56 1.96 -1.30 0.00 0.00 177.93 178.04 1xl9 h GLN 236 N 0.34 0.01 -0.16 5.26 4.20 -1.28 -1.29 115.11 122.19 1xl9 h GLN 236 Ca 0.49 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.16 1xl9 h GLN 236 Cb 0.90 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1xl9 h GLN 236 CO -0.53 0.56 -0.07 1.25 -0.67 0.00 0.00 178.83 179.38 1xl9 h LEU 237 N 0.01 0.34 -0.48 1.46 5.85 -1.25 -2.04 115.31 119.20 1xl9 h LEU 237 Ca -0.01 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1xl9 h LEU 237 Cb 0.99 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1xl9 h LEU 237 CO 0.07 0.66 0.08 0.25 -0.34 0.00 0.00 178.44 179.16 1xl9 h LEU 238 N 0.01 -0.04 0.09 2.25 6.46 -0.94 -0.74 115.31 122.41 1xl9 h LEU 238 Ca 0.04 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1xl9 h LEU 238 Cb 0.53 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1xl9 h LEU 238 CO 0.02 0.01 -0.04 0.58 -0.62 0.00 0.00 178.44 178.39 1xl9 h VAL 239 N 0.21 1.08 -0.65 1.05 2.07 -1.23 0.11 116.25 118.88 1xl9 h VAL 239 Ca 0.24 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.27 1xl9 h VAL 239 Cb 0.33 1.48 -0.12 0.00 -1.52 0.00 0.00 31.29 31.46 1xl9 h VAL 239 CO -0.33 0.15 -0.11 0.03 0.02 0.00 0.00 177.57 177.34 1xl9 h ARG 240 N -0.41 0.03 -0.05 1.57 3.08 -1.21 -1.75 114.38 115.65 1xl9 h ARG 240 Ca -0.01 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1xl9 h ARG 240 Cb 0.34 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1xl9 h ARG 240 CO 0.02 0.02 -0.41 0.28 -1.07 0.00 0.00 179.97 178.81 1xl9 h VAL 241 N 0.03 1.43 -0.63 2.04 2.07 -0.91 -2.80 116.25 117.48 1xl9 h VAL 241 Ca 0.33 -1.85 0.13 0.00 0.82 0.00 0.00 66.70 66.12 1xl9 h VAL 241 Cb 0.52 2.42 -0.10 0.00 -1.52 0.00 0.00 31.29 32.62 1xl9 h VAL 241 CO -0.64 0.54 0.09 0.74 0.02 0.00 0.00 177.57 178.32 1xl9 h THR 242 N -0.14 0.57 -0.69 2.57 2.02 -0.74 -1.13 112.91 115.38 1xl9 h THR 242 Ca -0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1xl9 h THR 242 Cb 1.09 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1xl9 h THR 242 CO 0.08 0.04 0.42 0.44 0.37 0.00 0.00 175.52 176.88 1xl9 h ASP 243 N 0.21 0.81 0.66 4.18 3.32 -1.21 -1.75 116.42 122.64 1xl9 h ASP 243 Ca 0.33 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1xl9 h ASP 243 Cb 0.53 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xl9 h ASP 243 CO -0.46 0.62 -0.12 0.77 -1.72 0.00 0.00 179.24 178.33 1xl9 h SER 244 N 0.94 0.00 0.24 6.45 4.64 -0.96 -2.82 113.55 122.04 1xl9 h SER 244 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xl9 h SER 244 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1xl9 h SER 244 CO -0.05 0.12 -0.15 0.18 -0.87 0.00 0.00 176.83 176.06 1xl9 n LEU 245 N -3.39 0.84 -0.42 5.97 4.32 -0.66 -3.81 117.00 119.85 1xl9 n LEU 245 Ca -0.01 -0.18 0.05 0.00 -0.02 0.00 0.00 56.01 55.85 1xl9 n LEU 245 Cb 0.30 -0.12 0.07 0.00 -1.62 0.00 0.00 43.42 42.05 1xl9 n LEU 245 CO 0.30 0.15 0.37 0.49 -1.22 0.00 0.00 177.39 177.48 1xl9 n PHE 246 N -0.66 0.00 0.24 -1.77 3.72 -1.07 -4.49 117.46 113.43 1xl9 n PHE 246 Ca 0.15 -0.53 0.13 0.00 -0.05 0.00 0.00 57.45 57.14 1xl9 n PHE 246 Cb 0.31 -0.11 0.45 0.00 -0.94 0.00 0.00 39.48 39.19 1xl9 n PHE 246 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1xl9 h MET 247 N 0.15 0.00 -5.11 -1.08 2.86 -1.64 -3.44 114.93 106.66 1xl9 h MET 247 Ca -0.02 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 1xl9 h MET 247 Cb 1.26 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.77 1xl9 h MET 247 CO 0.01 0.11 -0.70 0.00 1.06 0.00 0.00 176.91 177.39 1xl9 s ALA 248 N -3.51 1.56 -0.19 6.32 0.00 -1.26 -5.09 121.76 119.60 1xl9 s ALA 248 Ca 0.02 -1.56 -0.40 0.00 0.00 0.00 0.00 51.96 50.03 1xl9 s ALA 248 Cb 0.08 0.12 -0.16 0.00 0.00 0.00 0.00 23.12 23.16 1xl9 s ALA 248 CO 0.62 -0.11 1.60 -2.30 0.00 0.00 0.00 175.76 175.56 1xl9 n PRO 249 N -0.25 1.03 -2.10 0.00 -0.02 -1.26 -4.68 135.00 127.71 1xl9 n PRO 249 Ca -0.09 0.37 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 1xl9 n PRO 249 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1xl9 n PRO 249 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xl9 s SER 250 N 2.55 6.01 -0.37 2.55 0.15 -1.26 -2.32 113.70 121.00 1xl9 s SER 250 Ca 0.95 2.49 0.04 0.00 0.70 0.00 0.00 55.95 60.13 1xl9 s SER 250 Cb -1.08 -2.62 0.58 0.00 -1.71 0.00 0.00 66.02 61.19 1xl9 s SER 250 CO 0.61 -1.04 1.76 -0.81 1.20 0.00 0.00 173.24 174.96 1xl9 n PRO 251 N -0.45 2.23 -0.12 5.44 -0.04 -1.26 -4.98 135.00 135.82 1xl9 n PRO 251 Ca 0.07 -2.56 -0.10 0.00 -0.04 0.00 0.00 63.50 60.87 1xl9 n PRO 251 Cb 0.46 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1xl9 n PRO 251 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xl9 h THR 252 N 1.04 1.25 -0.13 0.52 2.02 -1.77 -0.87 112.91 114.97 1xl9 h THR 252 Ca 0.50 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.81 1xl9 h THR 252 Cb 2.53 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 70.03 1xl9 h THR 252 CO 0.90 0.31 -0.28 -0.65 0.37 0.00 0.00 175.52 176.17 1xl9 h PRO 253 N 0.43 -0.33 0.00 6.66 0.11 -1.80 -0.66 132.00 136.41 1xl9 h PRO 253 Ca 0.10 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1xl9 h PRO 253 Cb 0.42 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1xl9 h PRO 253 CO 0.01 -0.22 -0.27 -0.24 -0.21 0.00 0.00 178.00 177.07 1xl9 h VAL 254 N -0.35 0.97 -0.28 3.15 3.04 -1.76 0.36 116.25 121.38 1xl9 h VAL 254 Ca 0.10 -1.02 -0.19 0.00 -1.01 0.00 0.00 66.70 64.58 1xl9 h VAL 254 Cb 0.50 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1xl9 h VAL 254 CO -0.33 0.27 -0.57 0.11 -1.01 0.00 0.00 177.57 176.04 1xl9 h LYS 255 N 0.00 0.88 -0.25 4.17 1.57 -1.05 -2.19 116.57 119.70 1xl9 h LYS 255 Ca -0.00 -0.57 -0.18 0.00 -1.87 0.00 0.00 60.65 58.03 1xl9 h LYS 255 Cb 0.57 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1xl9 h LYS 255 CO 0.04 1.20 -0.55 1.15 -0.57 0.00 0.00 179.45 180.72 1xl9 h THR 256 N 0.67 1.29 -0.41 -0.16 2.02 -0.62 -2.72 112.91 112.99 1xl9 h THR 256 Ca 0.01 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1xl9 h THR 256 Cb 1.18 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1xl9 h THR 256 CO 0.13 0.56 0.26 0.00 0.37 0.00 0.00 175.52 176.84 1xl9 h ALA 257 N 0.80 0.52 -0.95 6.16 0.00 -0.31 -1.48 119.26 124.00 1xl9 h ALA 257 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1xl9 h ALA 257 Cb 1.13 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1xl9 h ALA 257 CO 0.11 -0.02 0.62 -0.07 0.00 0.00 0.00 179.25 179.89 1xl9 h LEU 258 N 0.55 0.99 -0.30 0.00 3.38 -1.38 -2.63 115.31 115.91 1xl9 h LEU 258 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xl9 h LEU 258 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1xl9 h LEU 258 CO -0.03 0.65 0.14 -0.61 0.09 0.00 0.00 178.44 178.68 1xl9 h GLN 259 N 1.13 0.44 0.00 1.13 -0.00 -1.08 -1.10 115.11 115.62 1xl9 h GLN 259 Ca 0.40 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1xl9 h GLN 259 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.53 1xl9 h GLN 259 CO -0.14 0.42 0.00 -1.33 0.00 0.00 0.00 178.83 177.78 1xl9 n MET 260 N -4.77 0.02 -1.12 1.69 2.81 -0.61 -1.00 117.12 114.14 1xl9 n MET 260 Ca -0.02 0.49 -0.07 0.00 -1.81 0.00 0.00 57.70 56.29 1xl9 n MET 260 Cb 0.11 -1.56 0.14 0.00 -0.71 0.00 0.00 33.22 31.20 1xl9 n MET 260 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1xl9 n VAL 261 N -1.60 2.42 -3.11 2.03 0.24 -1.13 -4.99 118.33 112.18 1xl9 n VAL 261 Ca 0.00 -3.48 -0.18 0.00 -2.04 0.00 0.00 64.34 58.64 1xl9 n VAL 261 Cb 0.03 -0.57 0.05 0.00 -1.47 0.00 0.00 33.84 31.87 1xl9 n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 262 N -0.98 -0.23 2.44 7.63 0.00 -0.17 -4.99 105.19 108.88 1xl9 n GLY 262 Ca 0.31 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1xl9 n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xl9 s LEU 263 N -5.63 1.02 0.10 0.99 0.20 -0.43 -5.02 118.68 109.91 1xl9 s LEU 263 Ca 0.35 -2.84 -0.31 0.00 0.69 0.00 0.00 54.13 52.02 1xl9 s LEU 263 Cb -0.16 -0.15 -0.08 0.00 -0.43 0.00 0.00 46.19 45.38 1xl9 s LEU 263 CO 0.44 -0.17 1.42 -0.62 -0.29 0.00 0.00 176.35 177.13 1xl9 s ASP 264 N 0.23 6.80 -0.08 3.68 -1.08 -1.26 -3.06 116.67 121.90 1xl9 s ASP 264 Ca 0.32 2.33 0.12 0.00 -0.52 0.00 0.00 52.55 54.79 1xl9 s ASP 264 Cb 0.02 -2.58 0.21 0.00 -1.46 0.00 0.00 42.92 39.11 1xl9 s ASP 264 CO -0.17 -0.69 1.11 1.33 0.52 0.00 0.00 175.17 177.27 1xl9 n VAL 265 N 4.09 1.14 -4.09 1.11 0.24 -1.26 -4.98 118.33 114.59 1xl9 n VAL 265 Ca 0.12 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1xl9 n VAL 265 Cb 0.42 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1xl9 n VAL 265 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl9 n GLY 266 N -0.78 -1.64 0.00 7.63 0.00 -1.24 -1.49 105.19 107.67 1xl9 n GLY 266 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1xl9 n GLY 266 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xl9 n SER 267 N 0.19 0.00 -4.19 1.61 2.88 -1.26 -4.82 113.62 108.02 1xl9 n SER 267 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1xl9 n SER 267 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1xl9 n SER 267 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xl9 s VAL 268 N 3.05 0.89 0.04 2.46 -7.23 -1.26 -4.54 120.40 113.80 1xl9 s VAL 268 Ca 0.00 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.17 1xl9 s VAL 268 Cb 0.00 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 1xl9 s VAL 268 CO 0.00 -0.77 0.36 -0.13 -0.31 0.00 0.00 175.10 174.25 1xl9 s ARG 269 N -3.58 3.72 0.43 4.82 0.52 -1.26 -4.88 118.95 118.72 1xl9 s ARG 269 Ca 0.12 0.13 -0.24 0.00 -0.52 0.00 0.00 55.73 55.21 1xl9 s ARG 269 Cb 0.03 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.34 1xl9 s ARG 269 CO -0.02 0.61 1.11 1.28 0.02 0.00 0.00 175.30 178.30 1xl9 n LEU 270 N 1.11 3.24 0.00 2.53 4.77 -1.26 -1.68 117.00 125.72 1xl9 n LEU 270 Ca -0.10 1.05 0.12 0.00 -0.03 0.00 0.00 56.01 57.05 1xl9 n LEU 270 Cb 0.53 -1.41 0.72 0.00 -2.33 0.00 0.00 43.42 40.92 1xl9 n LEU 270 CO 0.41 -1.18 0.92 -0.81 -1.33 0.00 0.00 177.39 175.41 1xl9 n PRO 271 N 0.03 0.87 -2.64 3.23 -0.04 -1.26 -4.95 135.00 130.24 1xl9 n PRO 271 Ca 0.09 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 1xl9 n PRO 271 Cb 0.40 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1xl9 n PRO 271 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl9 s LEU 272 N -1.87 4.33 0.32 1.53 1.43 -0.67 -5.07 118.68 118.68 1xl9 s LEU 272 Ca 0.36 2.00 0.09 0.00 -1.03 0.00 0.00 54.13 55.55 1xl9 s LEU 272 Cb 0.17 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1xl9 s LEU 272 CO 0.28 -0.21 -0.01 -0.76 0.23 0.00 0.00 176.35 175.88 1xl9 s LEU 273 N -2.08 2.98 0.80 1.79 1.43 -1.26 -4.50 118.68 117.84 1xl9 s LEU 273 Ca 0.51 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 1xl9 s LEU 273 Cb -0.23 -1.39 0.08 0.00 0.03 0.00 0.00 46.19 44.68 1xl9 s LEU 273 CO 0.29 -0.18 1.13 -2.84 0.23 0.00 0.00 176.35 174.98 1xl9 s PRO 274 N -3.69 1.89 0.61 1.29 0.02 -1.26 -4.87 135.00 128.99 1xl9 s PRO 274 Ca 0.34 1.40 -0.19 0.00 0.02 0.00 0.00 61.00 62.57 1xl9 s PRO 274 Cb -0.02 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 1xl9 s PRO 274 CO 0.19 -1.95 1.19 1.28 -0.33 0.00 0.00 177.00 177.38 1xl9 n LEU 275 N -3.52 5.09 -4.75 -5.54 4.32 -1.26 -5.01 117.00 106.33 1xl9 n LEU 275 Ca 0.11 0.86 -0.29 0.00 -0.02 0.00 0.00 56.01 56.66 1xl9 n LEU 275 Cb 0.52 -1.50 0.14 0.00 -1.62 0.00 0.00 43.42 40.96 1xl9 n LEU 275 CO 0.51 -1.21 0.68 0.42 -1.22 0.00 0.00 177.39 176.57 1xl9 s THR 276 N -1.40 2.44 0.10 -5.08 -4.23 -1.26 -4.85 115.64 101.35 1xl9 s THR 276 Ca 0.78 0.14 -0.35 0.00 -1.18 0.00 0.00 61.69 61.08 1xl9 s THR 276 Cb -0.40 -2.76 -0.15 0.00 1.34 0.00 0.00 72.50 70.52 1xl9 s THR 276 CO 0.45 -0.19 1.55 -0.08 -0.54 0.00 0.00 174.62 175.81 1xl9 h GLU 277 N -1.51 -0.80 -0.87 3.99 4.57 -1.99 -0.94 114.58 117.02 1xl9 h GLU 277 Ca -0.50 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 57.83 1xl9 h GLU 277 Cb 1.30 0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 29.96 1xl9 h GLU 277 CO 0.58 -0.54 -0.45 -1.91 -1.18 0.00 0.00 179.01 175.52 1xl9 n GLU 278 N -5.47 -0.32 -0.34 1.92 0.00 -1.26 -0.40 120.64 114.77 1xl9 n GLU 278 Ca -0.10 1.33 0.03 0.00 0.00 0.00 0.00 57.16 58.43 1xl9 n GLU 278 Cb 0.43 -1.96 0.18 0.00 0.00 0.00 0.00 31.44 30.09 1xl9 n GLU 278 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1xl9 h GLU 279 N 0.00 0.99 -0.23 5.31 5.08 -1.88 -2.26 114.58 121.59 1xl9 h GLU 279 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xl9 h GLU 279 Cb 0.42 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xl9 h GLU 279 CO -0.84 0.65 0.14 0.00 -1.00 0.00 0.00 179.01 177.96 1xl9 h ARG 280 N 1.02 0.31 -0.61 2.33 3.08 0.69 -1.96 114.38 119.25 1xl9 h ARG 280 Ca 0.43 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1xl9 h ARG 280 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1xl9 h ARG 280 CO -0.21 0.26 0.30 0.28 -1.07 0.00 0.00 179.97 179.52 1xl9 h VAL 281 N 0.28 1.21 -0.30 2.04 2.07 -0.94 -0.70 116.25 119.91 1xl9 h VAL 281 Ca 0.08 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1xl9 h VAL 281 Cb 0.03 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1xl9 h VAL 281 CO -0.02 0.24 0.14 0.74 0.02 0.00 0.00 177.57 178.70 1xl9 h THR 282 N 0.84 1.16 -0.61 2.57 2.02 -1.26 -1.51 112.91 116.12 1xl9 h THR 282 Ca 0.21 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1xl9 h THR 282 Cb 0.11 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1xl9 h THR 282 CO -0.03 0.16 0.07 0.25 0.37 0.00 0.00 175.52 176.35 1xl9 h LEU 283 N 0.35 0.98 -0.05 2.58 5.85 -1.23 -2.93 115.31 120.86 1xl9 h LEU 283 Ca 0.10 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1xl9 h LEU 283 Cb 0.13 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1xl9 h LEU 283 CO -0.01 1.01 -0.36 -0.61 -0.34 0.00 0.00 178.44 178.13 1xl9 h GLN 284 N 0.92 -0.46 -0.73 1.25 5.75 -0.90 0.96 115.11 121.89 1xl9 h GLN 284 Ca 0.18 0.03 0.16 0.00 -0.15 0.00 0.00 58.65 58.87 1xl9 h GLN 284 Cb 0.46 0.10 -0.13 0.00 1.07 0.00 0.00 27.48 28.98 1xl9 h GLN 284 CO 0.02 -0.31 -0.06 0.77 -2.65 0.00 0.00 178.83 176.60 1xl9 h SER 285 N -0.48 -0.46 -0.62 -0.69 0.02 -1.23 -0.55 113.55 109.54 1xl9 h SER 285 Ca 0.07 0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1xl9 h SER 285 Cb 0.59 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1xl9 h SER 285 CO -0.32 -0.20 0.03 0.58 -1.14 0.00 0.00 176.83 175.78 1xl9 h VAL 286 N 0.06 1.27 -0.05 2.27 2.07 -1.11 -1.73 116.25 119.02 1xl9 h VAL 286 Ca 0.38 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1xl9 h VAL 286 Cb 0.65 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1xl9 h VAL 286 CO -0.69 0.41 -0.31 0.24 0.02 0.00 0.00 177.57 177.24 1xl9 h MET 287 N 1.00 0.09 -0.24 1.57 2.07 -0.16 -2.14 114.93 117.12 1xl9 h MET 287 Ca 0.18 -0.03 -0.14 0.00 -2.07 0.00 0.00 59.70 57.65 1xl9 h MET 287 Cb 0.53 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.24 1xl9 h MET 287 CO 0.03 0.40 -0.42 1.96 1.07 0.00 0.00 176.91 179.94 1xl9 h GLN 288 N 0.08 0.57 0.00 1.72 4.20 -0.87 -3.08 115.11 117.73 1xl9 h GLN 288 Ca 0.01 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1xl9 h GLN 288 Cb 0.60 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1xl9 h GLN 288 CO 0.04 0.88 0.00 -1.13 -0.67 0.00 0.00 178.83 177.96 1xl9 n SER 289 N -4.02 0.47 -4.67 1.46 3.41 -0.67 -4.69 113.62 104.91 1xl9 n SER 289 Ca -0.02 0.67 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1xl9 n SER 289 Cb 0.52 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1xl9 n SER 289 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xl9 s ILE 290 N -3.35 3.85 0.36 -1.33 1.01 -1.17 -4.96 121.20 115.62 1xl9 s ILE 290 Ca 0.01 1.08 -0.28 0.00 0.00 0.00 0.00 60.65 61.46 1xl9 s ILE 290 Cb 0.07 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.73 1xl9 s ILE 290 CO 0.24 -0.07 1.42 -2.84 0.00 0.00 0.00 174.94 173.70 1xl9 s PRO 291 N 3.43 4.17 0.00 2.79 0.02 -1.26 -5.09 135.00 139.07 1xl9 s PRO 291 Ca 0.65 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.12 1xl9 s PRO 291 Cb -0.29 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1xl9 s PRO 291 CO 0.24 -0.43 0.08 0.54 -0.33 0.00 0.00 177.00 177.10