#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 0.47 -0.19 3.17 2.07 -1.26 -5.14 121.20 120.32 1xl9 s ILE 2 Ca 0.00 -0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 58.97 1xl9 s ILE 2 Cb 0.00 -0.40 0.06 0.00 0.13 0.00 0.00 42.46 42.25 1xl9 s ILE 2 CO 0.00 0.13 0.00 -0.62 -1.91 0.00 0.00 174.94 172.55 1xl9 s ASP 3 N -0.14 3.01 0.00 4.50 2.15 -1.26 -4.97 116.67 119.96 1xl9 s ASP 3 Ca 0.02 -0.83 0.27 0.00 0.43 0.00 0.00 52.55 52.45 1xl9 s ASP 3 Cb -0.02 -0.75 0.86 0.00 -0.30 0.00 0.00 42.92 42.70 1xl9 s ASP 3 CO -0.00 -0.27 1.63 0.49 -0.17 0.00 0.00 175.17 176.85 1xl9 n PHE 4 N 4.95 0.00 -4.30 -5.34 3.72 -1.26 -4.84 117.46 110.39 1xl9 n PHE 4 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1xl9 n PHE 4 Cb 0.47 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.34 -0.79 0.15 1.37 0.00 -1.26 -3.77 105.19 102.23 1xl9 n GLY 5 Ca 0.12 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 1xl9 n GLY 5 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xl9 h THR 6 N 0.00 1.33 -3.05 2.61 1.35 -1.92 -3.42 112.91 109.81 1xl9 h THR 6 Ca 0.00 -2.63 -0.62 0.00 -0.55 0.00 0.00 66.41 62.62 1xl9 h THR 6 Cb 0.00 2.80 -0.40 0.00 -1.73 0.00 0.00 68.15 68.82 1xl9 h THR 6 CO 0.00 0.79 -0.72 -0.63 -0.25 0.00 0.00 175.52 174.71 1xl9 s ILE 7 N -2.86 1.67 0.04 6.82 1.01 -1.26 -0.53 121.20 126.09 1xl9 s ILE 7 Ca -0.08 -2.80 -0.30 0.00 0.00 0.00 0.00 60.65 57.47 1xl9 s ILE 7 Cb 0.06 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1xl9 s ILE 7 CO 0.92 -0.89 1.21 0.00 0.00 0.00 0.00 174.94 176.17 1xl9 s ALA 8 N 0.12 3.41 -0.23 9.38 0.00 -0.63 -1.37 121.76 132.44 1xl9 s ALA 8 Ca 0.18 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1xl9 s ALA 8 Cb -0.22 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1xl9 s ALA 8 CO -0.01 -0.51 0.18 0.99 0.00 0.00 0.00 175.76 176.40 1xl9 s THR 9 N 1.31 5.35 -0.88 0.00 2.01 -0.07 -0.43 115.64 122.93 1xl9 s THR 9 Ca 0.58 0.22 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1xl9 s THR 9 Cb -0.29 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1xl9 s THR 9 CO 0.28 0.35 1.66 0.00 -0.69 0.00 0.00 174.62 176.21 1xl9 s ALA 10 N 1.01 2.27 0.05 7.40 0.00 -0.00 -1.18 121.76 131.31 1xl9 s ALA 10 Ca 0.08 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1xl9 s ALA 10 Cb -0.13 -4.47 -0.05 0.00 0.00 0.00 0.00 23.12 18.47 1xl9 s ALA 10 CO 0.04 -4.03 0.91 1.41 0.00 0.00 0.00 175.76 174.09 1xl9 s MET 11 N 6.08 4.60 0.84 0.00 1.75 0.14 -4.73 119.30 127.97 1xl9 s MET 11 Ca 0.56 1.33 -0.11 0.00 -1.25 0.00 0.00 55.69 56.22 1xl9 s MET 11 Cb -0.05 -3.41 0.10 0.00 2.84 0.00 0.00 34.83 34.31 1xl9 s MET 11 CO 0.01 0.12 1.10 0.14 -0.65 0.00 0.00 175.02 175.75 1xl9 s VAL 12 N 0.41 2.84 -0.35 10.11 -7.23 -1.26 -2.45 120.40 122.47 1xl9 s VAL 12 Ca 0.46 0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 60.85 1xl9 s VAL 12 Cb -0.22 -2.62 0.06 0.00 0.56 0.00 0.00 36.38 34.16 1xl9 s VAL 12 CO 0.27 -0.36 0.12 -0.89 -0.31 0.00 0.00 175.10 173.94 1xl9 s THR 13 N -2.82 3.68 0.20 5.32 2.01 -1.26 -4.83 115.64 117.93 1xl9 s THR 13 Ca 0.63 -1.32 -0.32 0.00 0.31 0.00 0.00 61.69 61.00 1xl9 s THR 13 Cb -0.19 -3.16 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 1xl9 s THR 13 CO 0.57 -0.28 1.67 -2.84 -0.69 0.00 0.00 174.62 173.05 1xl9 s PRO 14 N 1.35 4.16 0.07 4.92 0.02 -1.26 -4.98 135.00 139.27 1xl9 s PRO 14 Ca -0.00 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.60 1xl9 s PRO 14 Cb -0.20 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1xl9 s PRO 14 CO 0.01 -0.70 -0.13 -0.06 -0.33 0.00 0.00 177.00 175.79 1xl9 s PHE 15 N 1.13 2.68 0.58 6.54 2.99 -0.32 -1.04 117.98 130.54 1xl9 s PHE 15 Ca 0.73 -0.18 -0.08 0.00 0.00 0.00 0.00 56.93 57.39 1xl9 s PHE 15 Cb -0.48 -1.46 0.13 0.00 0.00 0.00 0.00 43.02 41.22 1xl9 s PHE 15 CO 0.32 0.36 0.79 -0.40 -0.00 0.00 0.00 175.22 176.29 1xl9 n ASP 16 N 1.12 0.25 -0.11 1.36 5.68 0.63 -3.49 116.55 121.99 1xl9 n ASP 16 Ca -0.15 -1.40 0.26 0.00 -0.50 0.00 0.00 54.79 53.00 1xl9 n ASP 16 Cb 0.52 -0.59 0.72 0.00 -1.14 0.00 0.00 41.12 40.63 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 -1.26 0.52 -0.02 2.12 6.09 -1.99 -0.39 117.51 122.57 1xl9 h ILE 17 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1xl9 h ILE 17 Cb 0.75 0.57 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1xl9 h ILE 17 CO 0.20 0.00 -0.08 0.59 -3.07 0.00 0.00 178.15 175.79 1xl9 n ASN 18 N -4.14 2.16 0.00 2.19 5.03 -1.26 -4.96 115.26 114.29 1xl9 n ASN 18 Ca 0.16 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.95 1xl9 n ASN 18 Cb 0.88 0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.72 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 1.30 0.74 3.85 7.41 0.00 -0.16 -5.06 105.19 113.27 1xl9 n GLY 19 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.36 6.71 0.26 1.61 0.02 -1.26 -4.74 114.94 115.17 1xl9 s ASN 20 Ca 0.00 1.27 -0.30 0.00 -1.02 0.00 0.00 52.86 52.81 1xl9 s ASN 20 Cb 0.00 -2.37 -0.14 0.00 0.02 0.00 0.00 41.25 38.76 1xl9 s ASN 20 CO 0.00 -0.28 1.24 -0.38 0.02 0.00 0.00 177.10 177.70 1xl9 n ILE 21 N -0.67 1.38 -3.71 0.60 5.41 -1.26 -0.26 119.36 120.84 1xl9 n ILE 21 Ca 0.03 -0.34 -0.38 0.00 1.00 0.00 0.00 62.75 63.06 1xl9 n ILE 21 Cb 0.53 -1.25 -0.11 0.00 -0.71 0.00 0.00 39.64 38.10 1xl9 n ILE 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xl9 s ASP 22 N -0.08 5.38 0.29 4.38 -1.08 -0.21 -4.68 116.67 120.67 1xl9 s ASP 22 Ca 0.65 -1.73 0.12 0.00 -0.52 0.00 0.00 52.55 51.07 1xl9 s ASP 22 Cb -0.69 -1.89 0.39 0.00 -1.46 0.00 0.00 42.92 39.27 1xl9 s ASP 22 CO 0.55 -0.52 1.61 -0.26 0.52 0.00 0.00 175.17 177.07 1xl9 h PHE 23 N 8.21 0.00 -0.30 -5.34 -1.00 -1.93 -0.90 116.94 115.68 1xl9 h PHE 23 Ca -0.18 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.47 1xl9 h PHE 23 Cb 1.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 1xl9 h PHE 23 CO 0.59 0.58 -0.31 0.00 -1.61 0.00 0.00 178.31 177.56 1xl9 h ALA 24 N 1.42 0.44 0.00 2.45 0.00 -1.98 -1.19 119.26 120.40 1xl9 h ALA 24 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1xl9 h ALA 24 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1xl9 h ALA 24 CO 0.08 0.48 -0.17 0.87 0.00 0.00 0.00 179.25 180.50 1xl9 h LYS 25 N 0.49 0.00 -0.12 0.00 1.57 -1.89 -2.18 116.57 114.44 1xl9 h LYS 25 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1xl9 h LYS 25 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 1xl9 h LYS 25 CO 0.08 0.17 -0.16 1.15 -0.57 0.00 0.00 179.45 180.12 1xl9 h THR 26 N 0.00 1.37 0.02 -0.16 2.02 -0.75 -2.51 112.91 112.90 1xl9 h THR 26 Ca -0.00 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 65.81 1xl9 h THR 26 Cb 0.78 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1xl9 h THR 26 CO 0.02 0.40 -0.06 0.74 0.37 0.00 0.00 175.52 177.00 1xl9 h THR 27 N -0.09 0.86 -0.56 3.16 2.02 -1.20 -0.58 112.91 116.52 1xl9 h THR 27 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.31 1xl9 h THR 27 Cb 0.72 0.86 -0.10 0.00 -1.74 0.00 0.00 68.15 67.88 1xl9 h THR 27 CO 0.04 0.00 -0.09 0.11 0.37 0.00 0.00 175.52 175.95 1xl9 h LYS 28 N -0.11 0.04 -0.17 6.66 1.57 -1.47 -2.65 116.57 120.44 1xl9 h LYS 28 Ca 0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1xl9 h LYS 28 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1xl9 h LYS 28 CO -0.05 0.03 0.05 1.25 -0.57 0.00 0.00 179.45 180.16 1xl9 h LEU 29 N 0.04 0.25 -1.01 2.94 6.46 -1.17 -0.91 115.31 121.92 1xl9 h LEU 29 Ca 0.28 -0.20 0.13 0.00 -0.12 0.00 0.00 57.88 57.96 1xl9 h LEU 29 Cb 0.43 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.21 1xl9 h LEU 29 CO -0.54 0.39 0.63 0.58 -0.62 0.00 0.00 178.44 178.88 1xl9 h VAL 30 N 0.10 0.90 0.05 1.05 2.07 -0.91 -0.62 116.25 118.90 1xl9 h VAL 30 Ca 0.06 -0.34 -0.27 0.00 0.82 0.00 0.00 66.70 66.97 1xl9 h VAL 30 Cb 0.22 -0.16 0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1xl9 h VAL 30 CO -0.00 0.18 -1.10 0.78 0.02 0.00 0.00 177.57 177.44 1xl9 h ASN 31 N 0.98 0.81 0.19 0.57 2.35 -1.35 -2.00 115.58 117.13 1xl9 h ASN 31 Ca 0.51 -0.69 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1xl9 h ASN 31 Cb 0.52 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1xl9 h ASN 31 CO -0.28 1.50 -0.10 0.22 -1.65 0.00 0.00 177.43 177.12 1xl9 h TYR 32 N 0.31 -0.27 -0.40 1.19 3.20 -0.80 -2.03 116.97 118.18 1xl9 h TYR 32 Ca -0.14 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.81 1xl9 h TYR 32 Cb 1.76 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 40.05 1xl9 h TYR 32 CO 0.10 -0.16 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.27 1xl9 h LEU 33 N -0.28 -0.42 -1.45 2.82 3.38 -1.11 -0.81 115.31 117.45 1xl9 h LEU 33 Ca -0.02 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xl9 h LEU 33 Cb 0.22 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1xl9 h LEU 33 CO 0.03 -0.15 -0.27 0.40 0.09 0.00 0.00 178.44 178.54 1xl9 h ILE 34 N -0.02 0.94 0.00 1.22 2.04 -1.26 -0.89 117.51 119.54 1xl9 h ILE 34 Ca 0.19 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1xl9 h ILE 34 Cb 0.32 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1xl9 h ILE 34 CO -0.42 0.26 -0.32 0.47 0.00 0.00 0.00 178.15 178.14 1xl9 n ASP 35 N -3.85 0.43 -2.09 1.72 10.43 -0.77 -4.19 116.55 118.22 1xl9 n ASP 35 Ca -0.02 0.14 -0.24 0.00 2.57 0.00 0.00 54.79 57.24 1xl9 n ASP 35 Cb 0.35 -0.11 0.02 0.00 1.84 0.00 0.00 41.12 43.22 1xl9 n ASP 35 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xl9 n ASN 36 N -1.71 4.89 0.00 -2.24 3.02 -0.38 -4.96 115.26 113.89 1xl9 n ASN 36 Ca 0.05 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 1xl9 n ASN 36 Cb 0.37 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.68 0.64 3.67 7.41 0.00 -1.14 -3.34 105.19 111.75 1xl9 n GLY 37 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.43 4.78 -2.03 2.61 2.01 -0.93 -4.64 115.64 115.01 1xl9 s THR 38 Ca 0.00 1.92 0.23 0.00 0.31 0.00 0.00 61.69 64.15 1xl9 s THR 38 Cb 0.00 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1xl9 s THR 38 CO 0.00 -0.05 1.10 0.35 -0.69 0.00 0.00 174.62 175.33 1xl9 n THR 39 N 4.85 0.00 -3.44 -0.82 -2.24 -0.47 -4.60 114.28 107.56 1xl9 n THR 39 Ca 0.09 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1xl9 n THR 39 Cb 0.48 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 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 -2.48 -1.65 -0.13 6.98 0.00 -1.22 -4.24 121.76 119.01 1xl9 s ALA 40 Ca 0.19 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1xl9 s ALA 40 Cb 0.18 0.72 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1xl9 s ALA 40 CO 0.57 -0.72 -0.19 0.42 0.00 0.00 0.00 175.76 175.84 1xl9 s ILE 41 N -3.42 1.86 -0.30 0.00 1.01 -0.26 -0.89 121.20 119.21 1xl9 s ILE 41 Ca 0.01 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1xl9 s ILE 41 Cb -0.01 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1xl9 s ILE 41 CO -0.10 0.51 0.38 -0.69 0.00 0.00 0.00 174.94 175.04 1xl9 s VAL 42 N 0.94 5.16 -0.17 2.92 1.01 -0.32 0.96 120.40 130.90 1xl9 s VAL 42 Ca -0.05 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1xl9 s VAL 42 Cb -0.15 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1xl9 s VAL 42 CO -0.03 0.06 -0.04 -0.69 0.00 0.00 0.00 175.10 174.40 1xl9 s VAL 43 N 2.09 3.76 -0.98 2.92 1.01 0.11 -0.69 120.40 128.62 1xl9 s VAL 43 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1xl9 s VAL 43 Cb -0.16 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1xl9 s VAL 43 CO 0.11 0.47 0.09 0.61 0.00 0.00 0.00 175.10 176.38 1xl9 n GLY 44 N 3.87 -0.09 0.00 4.51 0.00 -1.26 -1.52 105.19 110.70 1xl9 n GLY 44 Ca -0.17 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.06 0.03 0.34 -0.02 0.00 -1.26 -4.36 105.19 98.86 1xl9 n GLY 45 Ca -0.12 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.40 0.14 0.00 2.61 2.02 -1.95 -1.24 112.91 114.09 1xl9 h THR 46 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1xl9 h THR 46 Cb 0.00 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1xl9 h THR 46 CO 0.00 0.00 -0.35 0.74 0.37 0.00 0.00 175.52 176.28 1xl9 h THR 47 N -0.07 0.87 -0.10 3.16 2.02 -1.87 -1.63 112.91 115.29 1xl9 h THR 47 Ca 0.31 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1xl9 h THR 47 Cb 0.57 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1xl9 h THR 47 CO -0.80 0.35 0.00 0.61 0.37 0.00 0.00 175.52 176.05 1xl9 n GLY 48 N 0.13 -0.49 2.86 2.16 0.00 -0.52 -4.12 105.19 105.21 1xl9 n GLY 48 Ca -0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.20 -5.19 -0.15 1.61 1.02 -0.61 -4.25 120.64 112.87 1xl9 n GLU 49 Ca 0.03 0.54 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1xl9 n GLU 49 Cb 0.09 -4.71 0.46 0.00 -0.02 0.00 0.00 31.44 27.26 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 -1.75 0.47 -0.46 1.62 4.64 -1.60 -2.16 113.55 114.31 1xl9 h SER 50 Ca -0.37 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.02 1xl9 h SER 50 Cb 1.24 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1xl9 h SER 50 CO 0.36 0.27 0.31 -0.65 -0.87 0.00 0.00 176.83 176.26 1xl9 h PRO 51 N 0.52 0.37 -0.43 4.77 0.11 -1.90 -2.42 132.00 133.02 1xl9 h PRO 51 Ca 0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1xl9 h PRO 51 Cb 0.60 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1xl9 h PRO 51 CO -0.11 0.24 0.00 0.25 -0.21 0.00 0.00 178.00 178.17 1xl9 n THR 52 N -4.47 0.68 -3.12 -1.15 -2.24 -0.83 -4.89 114.28 98.25 1xl9 n THR 52 Ca 0.06 -0.84 -0.39 0.00 -2.27 0.00 0.00 64.05 60.61 1xl9 n THR 52 Cb 0.25 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.21 4.55 0.74 3.22 1.02 -0.91 -5.09 118.68 121.00 1xl9 s LEU 53 Ca 0.35 1.44 -0.11 0.00 0.02 0.00 0.00 54.13 55.83 1xl9 s LEU 53 Cb 0.20 -3.10 0.04 0.00 0.02 0.00 0.00 46.19 43.35 1xl9 s LEU 53 CO 0.27 0.22 1.08 0.42 0.02 0.00 0.00 176.35 178.36 1xl9 s THR 54 N -1.01 3.57 0.23 5.49 -4.23 -1.26 -4.91 115.64 113.52 1xl9 s THR 54 Ca 0.33 0.51 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1xl9 s THR 54 Cb -0.21 -3.24 0.22 0.00 1.34 0.00 0.00 72.50 70.61 1xl9 s THR 54 CO 0.22 -0.67 1.89 -1.28 -0.54 0.00 0.00 174.62 174.25 1xl9 h SER 55 N -0.90 1.09 -0.47 3.99 0.87 -1.98 -1.27 113.55 114.87 1xl9 h SER 55 Ca -0.45 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 59.93 1xl9 h SER 55 Cb 1.24 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1xl9 h SER 55 CO 0.58 0.82 -0.15 -0.33 -0.53 0.00 0.00 176.83 177.21 1xl9 h GLU 56 N 1.26 0.96 -0.82 2.24 3.07 -2.00 -2.60 114.58 116.69 1xl9 h GLU 56 Ca 0.33 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1xl9 h GLU 56 Cb -0.08 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 1xl9 h GLU 56 CO -0.07 1.04 0.42 0.93 -1.40 0.00 0.00 179.01 179.93 1xl9 h GLU 57 N 0.85 1.16 0.43 2.33 5.08 -1.86 -1.46 114.58 121.12 1xl9 h GLU 57 Ca 0.13 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xl9 h GLU 57 Cb 0.71 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1xl9 h GLU 57 CO 0.05 0.88 -0.28 0.87 -1.00 0.00 0.00 179.01 179.53 1xl9 h LYS 58 N 1.15 -0.66 -0.62 2.33 1.57 -1.08 0.11 116.57 119.38 1xl9 h LYS 58 Ca 0.28 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1xl9 h LYS 58 Cb 0.08 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1xl9 h LYS 58 CO -0.04 -0.44 0.24 0.28 -0.57 0.00 0.00 179.45 178.92 1xl9 h VAL 59 N -0.69 1.23 -0.67 0.50 2.07 -1.46 0.13 116.25 117.36 1xl9 h VAL 59 Ca -0.05 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 66.88 1xl9 h VAL 59 Cb 0.57 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 1xl9 h VAL 59 CO 0.03 0.29 0.13 0.00 0.02 0.00 0.00 177.57 178.04 1xl9 h ALA 60 N 1.09 0.82 -0.32 1.67 0.00 -1.08 -0.52 119.26 120.93 1xl9 h ALA 60 Ca 0.21 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 1xl9 h ALA 60 Cb 0.21 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xl9 h ALA 60 CO -0.02 -0.33 -0.39 1.25 0.00 0.00 0.00 179.25 179.76 1xl9 h LEU 61 N 0.24 0.81 0.08 0.00 5.85 -0.02 -1.25 115.31 121.03 1xl9 h LEU 61 Ca 0.37 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1xl9 h LEU 61 Cb 0.60 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1xl9 h LEU 61 CO -0.48 1.10 -0.21 1.88 -0.34 0.00 0.00 178.44 180.39 1xl9 h TYR 62 N 0.63 -0.56 -0.13 1.25 0.05 -0.26 -1.90 116.97 116.04 1xl9 h TYR 62 Ca 0.05 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.89 1xl9 h TYR 62 Cb 0.94 0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.85 1xl9 h TYR 62 CO 0.05 -0.30 -0.41 0.00 -1.05 0.00 0.00 178.16 176.45 1xl9 h ARG 63 N -0.38 -0.46 -0.29 4.88 3.08 -0.90 -1.04 114.38 119.26 1xl9 h ARG 63 Ca 0.03 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1xl9 h ARG 63 Cb 0.42 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1xl9 h ARG 63 CO -0.14 -0.31 -0.07 1.25 -1.07 0.00 0.00 179.97 179.64 1xl9 h HIS 64 N -0.48 -0.15 -0.35 3.04 2.76 -1.17 -2.24 115.15 116.56 1xl9 h HIS 64 Ca 0.08 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1xl9 h HIS 64 Cb 0.62 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1xl9 h HIS 64 CO -0.48 -0.12 0.14 0.28 -1.30 0.00 0.00 177.93 176.45 1xl9 h VAL 65 N 0.00 1.19 -0.74 5.26 2.07 -1.18 -1.37 116.25 121.49 1xl9 h VAL 65 Ca 0.14 -0.58 0.16 0.00 0.82 0.00 0.00 66.70 67.24 1xl9 h VAL 65 Cb 0.21 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 1xl9 h VAL 65 CO -0.29 0.21 0.16 0.58 0.02 0.00 0.00 177.57 178.24 1xl9 h VAL 66 N 0.43 0.49 0.06 2.57 2.07 -1.02 -0.75 116.25 120.09 1xl9 h VAL 66 Ca 0.12 -0.08 -0.24 0.00 0.82 0.00 0.00 66.70 67.32 1xl9 h VAL 66 Cb 0.19 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1xl9 h VAL 66 CO -0.01 0.04 -1.07 0.77 0.02 0.00 0.00 177.57 177.32 1xl9 h SER 67 N 0.24 0.31 -0.30 0.57 4.64 -0.79 -2.38 113.55 115.84 1xl9 h SER 67 Ca 0.42 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1xl9 h SER 67 Cb 0.72 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1xl9 h SER 67 CO -0.53 1.19 -0.01 0.58 -0.87 0.00 0.00 176.83 177.18 1xl9 h VAL 68 N 0.08 1.26 -0.51 0.95 2.07 -0.88 -3.16 116.25 116.06 1xl9 h VAL 68 Ca -0.08 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1xl9 h VAL 68 Cb 1.77 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1xl9 h VAL 68 CO 0.17 0.31 0.01 0.58 0.02 0.00 0.00 177.57 178.66 1xl9 h VAL 69 N 0.33 1.25 -6.05 2.57 2.07 -1.19 -3.47 116.25 111.76 1xl9 h VAL 69 Ca 0.08 -1.03 -0.41 0.00 0.82 0.00 0.00 66.70 66.17 1xl9 h VAL 69 Cb 0.46 0.85 0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1xl9 h VAL 69 CO 0.02 0.37 -0.84 -0.67 0.02 0.00 0.00 177.57 176.46 1xl9 n ASP 70 N -4.21 -1.78 0.00 0.57 4.64 -0.90 -1.45 116.55 113.42 1xl9 n ASP 70 Ca 0.03 -0.82 0.00 0.00 -1.38 0.00 0.00 54.79 52.61 1xl9 n ASP 70 Cb 0.31 -4.10 0.00 0.00 -1.04 0.00 0.00 41.12 36.29 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 -4.20 -1.37 0.25 -0.67 4.76 -1.26 -4.88 118.16 110.79 1xl9 n LYS 71 Ca -0.27 0.34 0.16 0.00 -2.87 0.00 0.00 58.31 55.67 1xl9 n LYS 71 Cb 0.67 -4.39 0.54 0.00 -1.84 0.00 0.00 35.03 30.01 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 0.31 0.00 -1.73 1.97 3.08 -1.63 -3.45 114.38 112.94 1xl9 h ARG 72 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1xl9 h ARG 72 Cb 0.68 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.49 1xl9 h ARG 72 CO 0.00 0.00 0.35 0.08 -1.07 0.00 0.00 179.97 179.33 1xl9 s VAL 73 N -3.52 0.00 0.50 2.04 1.01 -1.26 -5.07 120.40 114.10 1xl9 s VAL 73 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 1xl9 s VAL 73 Cb 0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1xl9 s VAL 73 CO 0.57 0.00 1.39 -2.65 0.00 0.00 0.00 175.10 174.40 1xl9 n PRO 74 N 2.32 1.93 -3.94 2.72 -0.02 -1.26 -4.86 135.00 131.89 1xl9 n PRO 74 Ca -0.13 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1xl9 n PRO 74 Cb 0.56 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 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 -1.25 3.17 -0.23 -1.45 1.01 -1.26 -1.10 120.40 119.29 1xl9 s VAL 75 Ca 0.67 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1xl9 s VAL 75 Cb -0.43 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1xl9 s VAL 75 CO 0.53 0.41 -0.06 -0.63 0.00 0.00 0.00 175.10 175.35 1xl9 s ILE 76 N 1.44 3.04 -0.08 2.22 1.01 0.27 -0.80 121.20 128.30 1xl9 s ILE 76 Ca 0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 1xl9 s ILE 76 Cb -0.14 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1xl9 s ILE 76 CO -0.05 0.31 0.38 0.00 0.00 0.00 0.00 174.94 175.58 1xl9 s ALA 77 N 1.39 3.62 -1.21 9.38 0.00 -0.56 0.08 121.76 134.45 1xl9 s ALA 77 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 1xl9 s ALA 77 Cb -0.15 -2.43 0.18 0.00 0.00 0.00 0.00 23.12 20.72 1xl9 s ALA 77 CO -0.05 0.26 1.44 0.41 0.00 0.00 0.00 175.76 177.83 1xl9 n GLY 78 N 2.64 3.59 0.04 0.00 0.00 -0.58 -0.82 105.19 110.07 1xl9 n GLY 78 Ca -0.12 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 4.27 0.20 -2.56 2.61 -2.24 -1.15 -4.70 114.28 110.71 1xl9 n THR 79 Ca 0.36 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 1xl9 n THR 79 Cb 0.42 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.49 2.66 0.00 3.38 0.00 -1.14 -4.54 107.32 104.19 1xl9 s GLY 80 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1xl9 s GLY 80 CO 0.75 1.86 0.00 -1.14 0.00 0.00 0.00 173.10 174.57 1xl9 n SER 81 N 3.88 1.84 -0.84 1.64 3.41 -1.26 -4.40 113.62 117.90 1xl9 n SER 81 Ca 0.07 -0.69 0.05 0.00 -0.26 0.00 0.00 58.87 58.04 1xl9 n SER 81 Cb 0.49 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.80 2.38 -4.01 4.04 2.04 -1.26 -4.44 115.26 113.21 1xl9 n ASN 82 Ca 0.00 -2.16 -0.31 0.00 -0.44 0.00 0.00 54.58 51.67 1xl9 n ASN 82 Cb 0.00 -0.37 -0.16 0.00 -2.53 0.00 0.00 39.78 36.73 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 -0.76 3.65 0.06 0.53 3.84 -1.26 -4.90 114.94 116.09 1xl9 s ASN 83 Ca 0.24 -1.01 -0.24 0.00 0.21 0.00 0.00 52.86 52.06 1xl9 s ASN 83 Cb 0.15 -1.30 -0.16 0.00 -0.55 0.00 0.00 41.25 39.39 1xl9 s ASN 83 CO 0.13 -0.16 1.59 0.74 -2.79 0.00 0.00 177.10 176.61 1xl9 h THR 84 N 6.47 1.13 -0.39 -5.21 2.02 -1.95 -1.45 112.91 113.53 1xl9 h THR 84 Ca -0.26 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 1xl9 h THR 84 Cb 1.09 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1xl9 h THR 84 CO 0.48 0.10 -0.27 0.45 0.37 0.00 0.00 175.52 176.64 1xl9 h HIS 85 N -0.12 0.96 -0.72 3.16 3.86 -1.97 -1.01 115.15 119.31 1xl9 h HIS 85 Ca 0.01 -0.24 0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1xl9 h HIS 85 Cb 0.16 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.34 1xl9 h HIS 85 CO -0.02 1.01 0.36 0.00 0.86 0.00 0.00 177.93 180.14 1xl9 h ALA 86 N 0.98 0.99 -0.31 2.45 0.00 -1.97 -1.08 119.26 120.31 1xl9 h ALA 86 Ca 0.09 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1xl9 h ALA 86 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xl9 h ALA 86 CO 0.07 -0.03 -0.09 0.77 0.00 0.00 0.00 179.25 179.97 1xl9 h SER 87 N 0.62 0.50 -0.10 0.00 0.02 -0.52 -0.64 113.55 113.43 1xl9 h SER 87 Ca 0.35 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1xl9 h SER 87 Cb 0.36 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1xl9 h SER 87 CO -0.26 0.63 0.02 0.40 -1.14 0.00 0.00 176.83 176.48 1xl9 h ILE 88 N 0.49 1.21 -0.30 3.27 2.04 -0.94 -1.96 117.51 121.32 1xl9 h ILE 88 Ca 0.09 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1xl9 h ILE 88 Cb 0.45 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1xl9 h ILE 88 CO 0.02 0.18 0.17 0.44 0.00 0.00 0.00 178.15 178.97 1xl9 h ASP 89 N -0.07 0.28 0.04 1.72 3.45 -0.62 -1.53 116.42 119.70 1xl9 h ASP 89 Ca 0.03 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 1xl9 h ASP 89 Cb 0.27 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1xl9 h ASP 89 CO 0.00 0.21 -0.24 0.25 -1.57 0.00 0.00 179.24 177.89 1xl9 h LEU 90 N 0.36 0.34 -0.72 1.55 5.85 -1.17 -1.94 115.31 119.57 1xl9 h LEU 90 Ca 0.12 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1xl9 h LEU 90 Cb -0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1xl9 h LEU 90 CO -0.05 0.58 -0.45 0.74 -0.34 0.00 0.00 178.44 178.92 1xl9 h THR 91 N 0.31 1.32 -0.28 1.05 2.02 -1.10 -0.48 112.91 115.73 1xl9 h THR 91 Ca 0.05 -1.63 -0.18 0.00 0.77 0.00 0.00 66.41 65.41 1xl9 h THR 91 Cb 0.59 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1xl9 h THR 91 CO 0.04 0.50 -0.53 0.50 0.37 0.00 0.00 175.52 176.40 1xl9 h LYS 92 N 0.36 0.86 -0.27 6.66 3.11 -0.72 -1.75 116.57 124.82 1xl9 h LYS 92 Ca 0.02 -0.55 -0.05 0.00 -2.81 0.00 0.00 60.65 57.27 1xl9 h LYS 92 Cb 0.93 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1xl9 h LYS 92 CO 0.08 1.18 -0.02 0.87 -2.81 0.00 0.00 179.45 178.75 1xl9 h LYS 93 N 0.64 0.49 -0.98 1.90 1.57 -1.22 -2.31 116.57 116.66 1xl9 h LYS 93 Ca 0.01 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1xl9 h LYS 93 Cb 1.14 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 1xl9 h LYS 93 CO 0.12 0.67 0.64 0.00 -0.57 0.00 0.00 179.45 180.30 1xl9 h ALA 94 N 0.81 1.40 -0.05 3.86 0.00 -1.07 -2.59 119.26 121.62 1xl9 h ALA 94 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xl9 h ALA 94 Cb 0.46 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xl9 h ALA 94 CO 0.02 0.47 0.02 1.15 0.00 0.00 0.00 179.25 180.91 1xl9 h THR 95 N 1.18 1.10 -0.21 0.00 2.02 -1.28 -2.88 112.91 112.84 1xl9 h THR 95 Ca 0.41 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 67.34 1xl9 h THR 95 Cb 0.10 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1xl9 h THR 95 CO -0.15 0.09 0.16 -0.33 0.37 0.00 0.00 175.52 175.66 1xl9 h GLU 96 N -0.04 0.00 -0.00 6.66 4.39 -1.09 -1.62 114.58 122.87 1xl9 h GLU 96 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xl9 h GLU 96 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1xl9 h GLU 96 CO -0.00 0.00 -0.17 1.33 -1.16 0.00 0.00 179.01 179.01 1xl9 n VAL 97 N -4.44 0.00 -0.49 3.13 0.24 -1.00 -4.96 118.33 110.81 1xl9 n VAL 97 Ca 0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1xl9 n VAL 97 Cb 0.30 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.35 1.52 3.78 7.63 0.00 -0.61 -4.82 105.19 114.04 1xl9 n GLY 98 Ca 0.12 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 2.94 -0.19 1.61 -7.23 -1.16 -4.98 120.40 109.40 1xl9 s VAL 99 Ca 0.00 0.31 0.22 0.00 -1.81 0.00 0.00 61.98 60.70 1xl9 s VAL 99 Cb 0.00 -2.99 -0.12 0.00 0.56 0.00 0.00 36.38 33.83 1xl9 s VAL 99 CO 0.00 -0.40 0.85 0.47 -0.31 0.00 0.00 175.10 175.71 1xl9 n ASP 100 N -3.55 0.55 -3.62 4.85 9.92 0.02 -4.88 116.55 119.83 1xl9 n ASP 100 Ca 0.07 0.19 -0.05 0.00 -0.53 0.00 0.00 54.79 54.47 1xl9 n ASP 100 Cb 0.56 1.00 -0.02 0.00 -0.64 0.00 0.00 41.12 42.02 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 -3.41 -1.84 0.03 2.24 0.00 -0.91 -4.15 121.76 113.73 1xl9 s ALA 101 Ca -0.03 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1xl9 s ALA 101 Cb 0.11 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1xl9 s ALA 101 CO 0.83 -0.86 -0.21 0.14 0.00 0.00 0.00 175.76 175.67 1xl9 s VAL 102 N -3.03 1.65 -0.07 0.00 -7.23 -0.62 -1.50 120.40 109.60 1xl9 s VAL 102 Ca 0.09 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1xl9 s VAL 102 Cb -0.00 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1xl9 s VAL 102 CO -0.04 0.27 0.12 -0.32 -0.31 0.00 0.00 175.10 174.83 1xl9 s MET 103 N -1.00 3.32 -0.20 4.82 1.75 0.00 -0.61 119.30 127.39 1xl9 s MET 103 Ca 0.08 -0.26 -0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1xl9 s MET 103 Cb -0.09 -3.07 0.06 0.00 2.84 0.00 0.00 34.83 34.58 1xl9 s MET 103 CO 0.01 0.73 0.03 -0.51 -0.65 0.00 0.00 175.02 174.62 1xl9 s LEU 104 N -1.32 1.33 0.41 4.11 1.43 -0.38 -2.89 118.68 121.36 1xl9 s LEU 104 Ca 0.19 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.21 1xl9 s LEU 104 Cb -0.12 -0.66 -0.10 0.00 0.03 0.00 0.00 46.19 45.34 1xl9 s LEU 104 CO 0.09 -0.30 0.97 0.54 0.23 0.00 0.00 176.35 177.88 1xl9 s VAL 105 N 1.81 4.17 0.13 -1.59 0.11 -1.26 -1.19 120.40 122.57 1xl9 s VAL 105 Ca -0.01 1.50 -0.32 0.00 -2.93 0.00 0.00 61.98 60.21 1xl9 s VAL 105 Cb -0.17 -3.70 -0.12 0.00 -1.53 0.00 0.00 36.38 30.87 1xl9 s VAL 105 CO -0.08 -0.14 1.77 0.00 -3.33 0.00 0.00 175.10 173.32 1xl9 n ALA 106 N -0.30 2.08 -1.55 1.54 0.00 -0.68 -4.74 120.51 116.86 1xl9 n ALA 106 Ca 0.06 0.35 -0.54 0.00 0.00 0.00 0.00 53.44 53.31 1xl9 n ALA 106 Cb 0.52 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 1xl9 n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xl9 n PRO 107 N 4.98 0.71 -3.85 0.00 -0.02 -1.26 -4.79 135.00 130.77 1xl9 n PRO 107 Ca 0.18 0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 61.66 1xl9 n PRO 107 Cb 0.35 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.16 3.48 0.00 6.00 1.13 -1.26 -4.52 117.35 122.34 1xl9 s TYR 108 Ca 0.84 0.17 0.00 0.00 -1.41 0.00 0.00 57.07 56.67 1xl9 s TYR 108 Cb -1.05 -1.71 0.00 0.00 -1.10 0.00 0.00 41.96 38.10 1xl9 s TYR 108 CO 0.51 0.44 0.00 0.98 -2.51 0.00 0.00 175.55 174.98 1xl9 n TYR 109 N -0.79 0.00 1.51 -3.49 9.36 -1.26 -4.49 117.16 118.00 1xl9 n TYR 109 Ca -0.07 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.28 1xl9 n TYR 109 Cb 0.55 0.00 0.53 0.00 -0.63 0.00 0.00 39.34 39.79 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 2.19 1.29 -3.73 2.98 0.23 -1.26 -4.98 115.26 111.98 1xl9 n ASN 110 Ca 0.00 -1.50 -0.30 0.00 -0.53 0.00 0.00 54.58 52.25 1xl9 n ASN 110 Cb 0.00 -0.03 0.02 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.02 -1.08 -1.87 -3.83 5.02 -1.26 -4.96 118.16 110.20 1xl9 n LYS 111 Ca 0.18 0.55 -0.31 0.00 -2.02 0.00 0.00 58.31 56.72 1xl9 n LYS 111 Cb 0.30 -3.53 0.03 0.00 -0.02 0.00 0.00 35.03 31.81 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 -5.76 3.29 0.71 1.97 0.04 -1.26 -5.07 135.00 128.92 1xl9 s PRO 112 Ca 0.33 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 1xl9 s PRO 112 Cb -0.14 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1xl9 s PRO 112 CO 0.88 -0.77 1.05 -1.54 0.04 0.00 0.00 177.00 176.67 1xl9 s SER 113 N -4.25 5.03 0.27 6.66 1.04 -1.26 -4.84 113.70 116.36 1xl9 s SER 113 Ca 0.56 0.74 -0.00 0.00 0.48 0.00 0.00 55.95 57.73 1xl9 s SER 113 Cb -0.11 -1.45 0.49 0.00 0.10 0.00 0.00 66.02 65.05 1xl9 s SER 113 CO 0.53 -1.51 1.85 1.56 0.98 0.00 0.00 173.24 176.65 1xl9 h GLN 114 N -0.64 1.02 0.00 4.02 1.08 -1.97 -0.53 115.11 118.08 1xl9 h GLN 114 Ca -0.45 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 56.53 1xl9 h GLN 114 Cb 1.29 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 1xl9 h GLN 114 CO 0.63 0.67 -0.76 1.49 -0.95 0.00 0.00 178.83 179.91 1xl9 h GLU 115 N 1.05 0.00 -0.27 1.46 4.57 -1.99 0.08 114.58 119.48 1xl9 h GLU 115 Ca 0.47 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.53 1xl9 h GLU 115 Cb 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1xl9 h GLU 115 CO -0.23 0.76 -0.31 0.78 -1.18 0.00 0.00 179.01 178.83 1xl9 h GLY 116 N 2.33 0.75 1.00 1.92 0.00 -1.81 -2.20 103.07 105.04 1xl9 h GLY 116 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1xl9 h GLY 116 CO 0.10 0.71 0.37 -0.33 0.00 0.00 0.00 176.54 177.39 1xl9 h MET 117 N 0.42 0.84 -0.58 4.80 2.86 -1.12 -0.33 114.93 121.82 1xl9 h MET 117 Ca 0.04 -0.08 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1xl9 h MET 117 Cb 0.88 -0.18 -0.09 0.00 0.06 0.00 0.00 31.60 32.27 1xl9 h MET 117 CO 0.07 0.60 0.04 -0.92 1.06 0.00 0.00 176.91 177.77 1xl9 h TYR 118 N 0.84 0.04 -0.00 -0.22 3.20 -0.89 -0.68 116.97 119.27 1xl9 h TYR 118 Ca 0.22 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.96 1xl9 h TYR 118 Cb -0.02 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1xl9 h TYR 118 CO -0.02 -0.11 -0.78 1.96 -1.64 0.00 0.00 178.16 177.57 1xl9 h GLN 119 N 0.16 0.08 0.16 1.82 1.08 -1.14 -1.73 115.11 115.55 1xl9 h GLN 119 Ca 0.30 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1xl9 h GLN 119 Cb 0.47 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1xl9 h GLN 119 CO -0.46 0.82 -0.08 1.25 -0.95 0.00 0.00 178.83 179.41 1xl9 h HIS 120 N 0.05 -0.20 -0.20 2.96 -0.00 -0.85 -2.29 115.15 114.62 1xl9 h HIS 120 Ca -0.02 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.24 1xl9 h HIS 120 Cb 1.37 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.84 1xl9 h HIS 120 CO 0.01 0.06 -0.35 0.74 -0.00 0.00 0.00 177.93 178.39 1xl9 h PHE 121 N -0.45 0.49 -0.04 5.26 0.04 -1.12 -2.98 116.94 118.14 1xl9 h PHE 121 Ca -0.02 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 1xl9 h PHE 121 Cb 0.35 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1xl9 h PHE 121 CO 0.00 0.73 0.01 -0.22 -0.60 0.00 0.00 178.31 178.23 1xl9 h LYS 122 N 0.36 0.06 -0.82 1.51 3.64 -1.32 -1.59 116.57 118.41 1xl9 h LYS 122 Ca 0.04 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1xl9 h LYS 122 Cb 0.79 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 1xl9 h LYS 122 CO 0.06 0.24 0.54 0.00 -2.27 0.00 0.00 179.45 178.03 1xl9 h ALA 123 N 0.81 1.55 -0.02 5.00 0.00 -1.44 0.12 119.26 125.28 1xl9 h ALA 123 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1xl9 h ALA 123 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xl9 h ALA 123 CO -0.00 0.34 -0.23 0.82 0.00 0.00 0.00 179.25 180.19 1xl9 h ILE 124 N 0.96 1.51 -0.44 0.00 2.04 -1.44 -2.63 117.51 117.51 1xl9 h ILE 124 Ca 0.34 -1.81 0.06 0.00 1.00 0.00 0.00 64.86 64.45 1xl9 h ILE 124 Cb 0.14 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1xl9 h ILE 124 CO -0.11 0.50 0.14 0.00 0.00 0.00 0.00 178.15 178.67 1xl9 h ALA 125 N 0.32 0.51 -0.27 1.87 0.00 -1.17 -2.34 119.26 118.19 1xl9 h ALA 125 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xl9 h ALA 125 Cb 0.93 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xl9 h ALA 125 CO 0.05 -0.26 0.19 0.93 0.00 0.00 0.00 179.25 180.16 1xl9 h GLU 126 N 0.30 0.06 0.00 0.00 5.08 -0.79 -2.79 114.58 116.44 1xl9 h GLU 126 Ca 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1xl9 h GLU 126 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xl9 h GLU 126 CO -0.23 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 176.70 1xl9 n SER 127 N -4.47 0.00 -4.03 1.42 3.41 -0.88 -4.84 113.62 104.23 1xl9 n SER 127 Ca 0.03 0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.86 1xl9 n SER 127 Cb 0.30 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.84 0.30 -1.32 6.66 -1.32 -1.05 -4.89 115.64 111.18 1xl9 s THR 128 Ca 0.12 -1.17 0.27 0.00 -1.21 0.00 0.00 61.69 59.71 1xl9 s THR 128 Cb 0.12 -0.65 0.24 0.00 -1.51 0.00 0.00 72.50 70.70 1xl9 s THR 128 CO 0.32 -0.57 1.69 -0.81 -2.21 0.00 0.00 174.62 173.05 1xl9 n PRO 129 N 1.22 0.34 -1.94 7.08 -0.04 -1.26 -4.94 135.00 135.46 1xl9 n PRO 129 Ca -0.21 -0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 62.77 1xl9 n PRO 129 Cb 0.56 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1xl9 n PRO 129 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl9 s LEU 130 N -2.76 3.53 0.55 1.53 1.02 -1.26 -5.00 118.68 116.29 1xl9 s LEU 130 Ca 0.19 2.11 -0.22 0.00 0.02 0.00 0.00 54.13 56.24 1xl9 s LEU 130 Cb 0.19 -4.57 -0.05 0.00 0.02 0.00 0.00 46.19 41.78 1xl9 s LEU 130 CO 0.56 -1.52 1.37 -2.84 0.02 0.00 0.00 176.35 173.95 1xl9 s PRO 131 N -3.74 3.11 -0.10 1.29 0.02 -1.26 -4.88 135.00 129.44 1xl9 s PRO 131 Ca 0.70 2.27 0.02 0.00 0.02 0.00 0.00 61.00 64.01 1xl9 s PRO 131 Cb -0.23 -2.25 0.01 0.00 0.02 0.00 0.00 34.50 32.05 1xl9 s PRO 131 CO 0.36 -1.23 -0.14 0.08 -0.33 0.00 0.00 177.00 175.74 1xl9 s VAL 132 N -1.29 1.40 -0.29 3.83 1.01 0.12 -1.59 120.40 123.60 1xl9 s VAL 132 Ca 0.72 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1xl9 s VAL 132 Cb -0.41 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1xl9 s VAL 132 CO 0.49 0.42 0.05 -0.32 0.00 0.00 0.00 175.10 175.73 1xl9 s MET 133 N 0.96 2.89 0.77 2.72 0.00 0.22 -2.01 119.30 124.85 1xl9 s MET 133 Ca -0.08 -0.98 -0.13 0.00 0.00 0.00 0.00 55.69 54.51 1xl9 s MET 133 Cb -0.15 -3.28 0.06 0.00 0.00 0.00 0.00 34.83 31.46 1xl9 s MET 133 CO -0.01 -0.49 1.14 -0.51 0.00 0.00 0.00 175.02 175.15 1xl9 s LEU 134 N 1.42 3.14 -0.23 4.11 1.02 -0.38 -1.25 118.68 126.51 1xl9 s LEU 134 Ca 0.01 2.10 -0.04 0.00 0.02 0.00 0.00 54.13 56.21 1xl9 s LEU 134 Cb -0.18 -4.56 0.09 0.00 0.02 0.00 0.00 46.19 41.56 1xl9 s LEU 134 CO 0.01 -2.29 0.16 -0.47 0.02 0.00 0.00 176.35 173.78 1xl9 s TYR 135 N -2.48 0.04 -0.23 0.29 5.04 -0.34 -0.04 117.35 119.64 1xl9 s TYR 135 Ca 0.67 -0.34 -0.17 0.00 -2.44 0.00 0.00 57.07 54.79 1xl9 s TYR 135 Cb -0.22 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.40 1xl9 s TYR 135 CO 0.51 -0.68 0.47 1.21 -1.34 0.00 0.00 175.55 175.71 1xl9 s ASN 136 N 2.20 6.44 -0.44 4.32 2.47 -0.41 -1.69 114.94 127.83 1xl9 s ASN 136 Ca 0.06 0.53 0.07 0.00 0.42 0.00 0.00 52.86 53.94 1xl9 s ASN 136 Cb -0.16 -2.26 0.26 0.00 -1.45 0.00 0.00 41.25 37.64 1xl9 s ASN 136 CO -0.21 -0.19 0.75 0.55 -3.72 0.00 0.00 177.10 174.28 1xl9 n VAL 137 N 4.78 -0.30 0.25 -5.21 3.14 -1.26 0.44 118.33 120.17 1xl9 n VAL 137 Ca -0.06 -2.77 0.11 0.00 -2.96 0.00 0.00 64.34 58.66 1xl9 n VAL 137 Cb 0.50 -0.05 0.72 0.00 -1.06 0.00 0.00 33.84 33.95 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 3.84 0.00 0.00 1.45 0.13 -1.81 0.11 132.00 135.72 1xl9 h PRO 138 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1xl9 h PRO 138 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1xl9 h PRO 138 CO 0.38 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 1xl9 n GLY 139 N -1.49 -0.50 0.00 1.56 0.00 -1.26 -0.48 105.19 103.03 1xl9 n GLY 139 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.04 2.26 0.00 1.61 1.74 -0.46 -4.88 116.66 115.89 1xl9 n ARG 140 Ca 0.10 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.30 1xl9 n ARG 140 Cb 0.06 -0.76 0.04 0.00 -1.02 0.00 0.00 32.46 30.77 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 -1.19 2.23 0.00 0.55 7.64 0.25 -4.68 113.62 118.42 1xl9 n SER 141 Ca 0.00 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1xl9 n SER 141 Cb 0.21 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.29 0.00 -1.22 0.44 5.41 0.37 -4.41 119.36 120.23 1xl9 n ILE 142 Ca 0.11 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.53 1xl9 n ILE 142 Cb 0.50 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.53 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 2.61 0.03 1.39 -7.23 -1.26 -4.76 120.40 111.18 1xl9 s VAL 143 Ca 0.00 0.24 0.05 0.00 -1.81 0.00 0.00 61.98 60.46 1xl9 s VAL 143 Cb 0.00 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1xl9 s VAL 143 CO 0.00 -0.22 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.36 1xl9 s GLN 144 N -4.39 2.35 -0.45 4.82 -1.52 -1.26 -3.80 119.66 115.41 1xl9 s GLN 144 Ca 0.68 -0.84 -0.26 0.00 -1.95 0.00 0.00 55.36 52.99 1xl9 s GLN 144 Cb -0.23 -2.38 0.03 0.00 -0.22 0.00 0.00 33.01 30.21 1xl9 s GLN 144 CO 0.51 0.57 0.94 0.42 -0.25 0.00 0.00 175.29 177.48 1xl9 s ILE 145 N -1.00 4.48 0.71 1.08 1.01 -1.26 -4.91 121.20 121.31 1xl9 s ILE 145 Ca 0.17 0.85 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 1xl9 s ILE 145 Cb -0.11 -4.43 0.03 0.00 0.01 0.00 0.00 42.46 37.96 1xl9 s ILE 145 CO 0.07 -0.79 1.20 -0.94 0.00 0.00 0.00 174.94 174.48 1xl9 s SER 146 N 2.21 4.39 0.23 3.58 1.04 -1.26 -4.77 113.70 119.12 1xl9 s SER 146 Ca 0.38 2.32 -0.06 0.00 0.48 0.00 0.00 55.95 59.07 1xl9 s SER 146 Cb -0.10 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.80 1xl9 s SER 146 CO 0.25 -2.13 1.78 0.58 0.98 0.00 0.00 173.24 174.70 1xl9 h VAL 147 N -0.15 0.82 -0.39 5.02 2.07 -1.95 -0.07 116.25 121.61 1xl9 h VAL 147 Ca -0.48 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1xl9 h VAL 147 Cb 1.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1xl9 h VAL 147 CO 0.51 0.11 0.03 0.44 0.02 0.00 0.00 177.57 178.68 1xl9 h ASP 148 N 0.61 0.56 -0.17 0.57 5.19 -1.99 -1.98 116.42 119.20 1xl9 h ASP 148 Ca 0.37 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 1xl9 h ASP 148 Cb 0.42 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1xl9 h ASP 148 CO -0.29 0.61 -0.09 0.74 -3.12 0.00 0.00 179.24 177.09 1xl9 h THR 149 N 0.58 1.32 -0.93 0.35 2.02 -1.41 -1.97 112.91 112.86 1xl9 h THR 149 Ca 0.13 -1.16 0.10 0.00 0.77 0.00 0.00 66.41 66.25 1xl9 h THR 149 Cb 0.31 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 1xl9 h THR 149 CO 0.01 0.34 0.60 0.58 0.37 0.00 0.00 175.52 177.42 1xl9 h VAL 150 N 0.04 0.96 -0.37 3.16 2.07 -1.02 -1.00 116.25 120.10 1xl9 h VAL 150 Ca 0.04 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 1xl9 h VAL 150 Cb 0.58 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1xl9 h VAL 150 CO 0.03 0.17 -0.30 0.58 0.02 0.00 0.00 177.57 178.07 1xl9 h VAL 151 N 0.94 1.28 -0.56 2.57 2.07 -1.09 -0.82 116.25 120.63 1xl9 h VAL 151 Ca 0.44 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1xl9 h VAL 151 Cb 0.42 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1xl9 h VAL 151 CO -0.20 0.48 0.36 0.03 0.02 0.00 0.00 177.57 178.26 1xl9 h ARG 152 N 0.64 0.70 -0.13 1.57 3.08 -1.01 -2.91 114.38 116.31 1xl9 h ARG 152 Ca 0.07 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1xl9 h ARG 152 Cb 0.88 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1xl9 h ARG 152 CO 0.08 0.46 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.03 1xl9 h LEU 153 N 0.72 0.27 -1.62 3.04 3.38 -1.03 -2.71 115.31 117.36 1xl9 h LEU 153 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xl9 h LEU 153 Cb -0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xl9 h LEU 153 CO -0.07 0.60 -0.04 0.77 0.09 0.00 0.00 178.44 179.79 1xl9 h SER 154 N 0.23 0.00 0.80 -0.43 4.64 -0.95 -1.42 113.55 116.41 1xl9 h SER 154 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1xl9 h SER 154 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1xl9 h SER 154 CO 0.05 0.04 0.00 -0.33 -0.87 0.00 0.00 176.83 175.72 1xl9 h GLU 155 N 0.00 0.00 -6.69 4.77 5.08 -1.39 -3.43 114.58 112.92 1xl9 h GLU 155 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1xl9 h GLU 155 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1xl9 h GLU 155 CO 0.00 0.00 0.50 0.42 -1.00 0.00 0.00 179.01 178.93 1xl9 s ILE 156 N -3.62 3.70 0.21 3.13 1.01 -0.54 -4.95 121.20 120.15 1xl9 s ILE 156 Ca 0.01 1.51 -0.06 0.00 0.00 0.00 0.00 60.65 62.11 1xl9 s ILE 156 Cb 0.09 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.67 1xl9 s ILE 156 CO 0.47 0.28 1.67 1.05 0.00 0.00 0.00 174.94 178.41 1xl9 h GLU 157 N 4.88 0.94 -0.50 2.79 4.11 -1.87 -2.47 114.58 122.46 1xl9 h GLU 157 Ca -0.45 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 58.67 1xl9 h GLU 157 Cb 1.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xl9 h GLU 157 CO 0.72 0.96 0.00 0.27 0.07 0.00 0.00 179.01 181.03 1xl9 n ASN 158 N -4.17 2.65 -4.31 3.06 6.94 -1.26 -4.68 115.26 113.49 1xl9 n ASN 158 Ca 0.02 -2.06 -0.44 0.00 -0.02 0.00 0.00 54.58 52.09 1xl9 n ASN 158 Cb 0.36 -0.34 -0.07 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.44 4.89 -0.15 1.53 1.01 -0.93 0.14 121.20 126.24 1xl9 s ILE 159 Ca 0.32 -1.43 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1xl9 s ILE 159 Cb 0.17 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 1xl9 s ILE 159 CO 0.20 -0.73 0.17 1.33 0.00 0.00 0.00 174.94 175.91 1xl9 n VAL 160 N 5.13 0.00 -3.82 2.92 0.24 -0.85 -4.59 118.33 117.35 1xl9 n VAL 160 Ca -0.12 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.65 1xl9 n VAL 160 Cb 0.41 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.11 -0.88 -0.12 2.33 0.00 -1.21 -1.45 121.76 119.31 1xl9 s ALA 161 Ca 0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1xl9 s ALA 161 Cb 0.02 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.89 1xl9 s ALA 161 CO 0.09 -1.00 0.32 -1.50 0.00 0.00 0.00 175.76 173.67 1xl9 s ILE 162 N -2.62 -0.01 -0.37 0.00 2.07 -0.73 -1.25 121.20 118.28 1xl9 s ILE 162 Ca 0.15 0.03 -0.15 0.00 -1.41 0.00 0.00 60.65 59.27 1xl9 s ILE 162 Cb -0.05 -0.46 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 1xl9 s ILE 162 CO 0.10 0.01 0.33 -0.75 -1.91 0.00 0.00 174.94 172.72 1xl9 s LYS 163 N 0.49 3.33 -0.41 3.50 2.20 0.94 -1.10 119.74 128.69 1xl9 s LYS 163 Ca -0.03 -0.68 -0.09 0.00 -0.36 0.00 0.00 55.97 54.81 1xl9 s LYS 163 Cb -0.04 -3.87 0.07 0.00 -1.51 0.00 0.00 37.83 32.47 1xl9 s LYS 163 CO -0.03 -0.61 0.24 0.34 -0.36 0.00 0.00 175.35 174.93 1xl9 s ASP 164 N 1.73 5.63 -0.40 1.43 -1.08 -0.56 -1.29 116.67 122.12 1xl9 s ASP 164 Ca 0.09 -1.40 0.06 0.00 -0.52 0.00 0.00 52.55 50.78 1xl9 s ASP 164 Cb -0.17 -1.98 0.65 0.00 -1.46 0.00 0.00 42.92 39.96 1xl9 s ASP 164 CO 0.11 -0.50 1.83 0.00 0.52 0.00 0.00 175.17 177.13 1xl9 n ALA 165 N 4.92 5.23 0.93 3.66 0.00 0.17 -0.55 120.51 134.87 1xl9 n ALA 165 Ca -0.10 -2.86 0.12 0.00 0.00 0.00 0.00 53.44 50.60 1xl9 n ALA 165 Cb 0.43 -1.30 0.56 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.00 -1.32 2.32 0.00 0.00 -1.25 -4.56 105.19 99.38 1xl9 n GLY 166 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 1.05 0.62 2.70 -0.02 0.00 -1.26 -4.97 105.19 103.31 1xl9 n GLY 167 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.27 3.64 0.01 1.61 -1.08 -1.26 -4.99 116.67 112.32 1xl9 s ASP 168 Ca 0.00 -1.35 0.24 0.00 -0.52 0.00 0.00 52.55 50.92 1xl9 s ASP 168 Cb 0.00 -0.71 1.03 0.00 -1.46 0.00 0.00 42.92 41.78 1xl9 s ASP 168 CO 0.00 -0.39 1.77 1.33 0.52 0.00 0.00 175.17 178.41 1xl9 n VAL 169 N 4.97 0.35 0.03 1.11 0.24 -1.26 -2.42 118.33 121.34 1xl9 n VAL 169 Ca -0.05 0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 1xl9 n VAL 169 Cb 0.43 -0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 32.00 1xl9 n VAL 169 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xl9 h LEU 170 N 0.00 0.12 -0.55 1.34 3.38 -1.98 0.44 115.31 118.07 1xl9 h LEU 170 Ca 0.00 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1xl9 h LEU 170 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xl9 h LEU 170 CO 0.00 1.16 -0.40 0.00 0.09 0.00 0.00 178.44 179.29 1xl9 h THR 171 N 0.02 1.29 -0.08 0.22 1.03 -1.95 -2.43 112.91 111.02 1xl9 h THR 171 Ca -0.20 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.63 1xl9 h THR 171 Cb 1.94 1.48 -0.00 0.00 -1.07 0.00 0.00 68.15 70.50 1xl9 h THR 171 CO 0.12 0.51 0.05 0.24 -0.01 0.00 0.00 175.52 176.43 1xl9 h MET 172 N 0.59 0.10 -0.95 0.00 2.86 -1.50 -1.85 114.93 114.18 1xl9 h MET 172 Ca 0.05 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1xl9 h MET 172 Cb 0.94 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.51 1xl9 h MET 172 CO 0.09 0.07 0.61 0.00 1.06 0.00 0.00 176.91 178.74 1xl9 h THR 173 N 0.10 1.01 -0.34 2.22 1.03 -0.84 -1.53 112.91 114.55 1xl9 h THR 173 Ca 0.03 -0.35 -0.10 0.00 -0.01 0.00 0.00 66.41 65.98 1xl9 h THR 173 Cb -0.01 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 66.96 1xl9 h THR 173 CO -0.01 0.19 -0.19 -0.08 -0.01 0.00 0.00 175.52 175.42 1xl9 h GLU 174 N 1.01 0.63 -0.20 0.00 4.81 -1.16 -1.88 114.58 117.79 1xl9 h GLU 174 Ca 0.43 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1xl9 h GLU 174 Cb 0.32 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1xl9 h GLU 174 CO -0.19 0.78 -0.07 0.82 -0.73 0.00 0.00 179.01 179.63 1xl9 h ILE 175 N 0.57 1.30 -0.78 2.32 2.04 -0.82 -1.66 117.51 120.47 1xl9 h ILE 175 Ca 0.09 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1xl9 h ILE 175 Cb 0.64 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1xl9 h ILE 175 CO 0.05 0.33 0.48 0.40 0.00 0.00 0.00 178.15 179.40 1xl9 h ILE 176 N 0.11 1.05 0.23 -0.67 2.04 -1.16 -1.12 117.51 117.99 1xl9 h ILE 176 Ca 0.05 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1xl9 h ILE 176 Cb 0.53 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1xl9 h ILE 176 CO 0.02 0.16 -0.11 -0.08 0.00 0.00 0.00 178.15 178.14 1xl9 h GLU 177 N 0.89 -0.30 0.00 2.37 4.81 -1.28 -3.33 114.58 117.74 1xl9 h GLU 177 Ca 0.33 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1xl9 h GLU 177 Cb 0.12 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xl9 h GLU 177 CO -0.15 -0.02 -0.10 0.87 -0.73 0.00 0.00 179.01 178.89 1xl9 h LYS 178 N -0.58 0.00 -6.67 1.92 1.57 -1.15 -3.44 116.57 108.21 1xl9 h LYS 178 Ca -0.03 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.30 1xl9 h LYS 178 Cb 0.43 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.77 1xl9 h LYS 178 CO 0.05 0.10 -0.12 0.95 -0.57 0.00 0.00 179.45 179.85 1xl9 s THR 179 N -3.47 3.46 0.88 -0.16 -4.23 -0.44 -5.02 115.64 106.67 1xl9 s THR 179 Ca 0.03 -0.67 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 1xl9 s THR 179 Cb 0.08 -3.26 0.12 0.00 1.34 0.00 0.00 72.50 70.78 1xl9 s THR 179 CO 0.62 -0.16 1.17 0.00 -0.54 0.00 0.00 174.62 175.71 1xl9 s ALA 180 N -2.55 2.16 0.38 3.99 0.00 -1.26 -4.89 121.76 119.59 1xl9 s ALA 180 Ca 0.52 -0.66 0.17 0.00 0.00 0.00 0.00 51.96 51.99 1xl9 s ALA 180 Cb -0.10 -2.97 0.96 0.00 0.00 0.00 0.00 23.12 21.00 1xl9 s ALA 180 CO 0.37 -2.08 1.92 -0.44 0.00 0.00 0.00 175.76 175.53 1xl9 h ASP 181 N -1.35 0.00 -0.21 0.00 3.32 -1.96 -2.41 116.42 113.81 1xl9 h ASP 181 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 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 0.61 0.27 0.00 -0.90 -1.72 0.00 0.00 179.24 177.49 1xl9 n ASP 182 N -4.00 1.20 -4.49 6.45 5.75 -1.26 -4.65 116.55 115.55 1xl9 n ASP 182 Ca -0.02 -1.94 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 1xl9 n ASP 182 Cb 0.33 -0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.72 3.19 -0.08 2.11 5.36 -0.91 -4.86 117.98 121.07 1xl9 s PHE 183 Ca 0.18 -0.32 -0.17 0.00 -0.96 0.00 0.00 56.93 55.66 1xl9 s PHE 183 Cb 0.09 -2.39 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 1xl9 s PHE 183 CO 0.13 -0.36 0.44 0.00 -1.46 0.00 0.00 175.22 173.96 1xl9 s ALA 184 N 1.67 3.56 -0.26 11.12 0.00 -0.53 -4.86 121.76 132.46 1xl9 s ALA 184 Ca 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1xl9 s ALA 184 Cb -0.17 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1xl9 s ALA 184 CO 0.08 0.17 -0.00 0.08 0.00 0.00 0.00 175.76 176.08 1xl9 s VAL 185 N 0.05 3.40 0.06 0.00 1.01 -1.26 -1.78 120.40 121.88 1xl9 s VAL 185 Ca 0.24 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1xl9 s VAL 185 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1xl9 s VAL 185 CO 0.11 0.21 0.14 -0.31 0.00 0.00 0.00 175.10 175.24 1xl9 s TYR 186 N 1.43 3.35 0.39 5.22 2.02 -0.26 -0.51 117.35 128.98 1xl9 s TYR 186 Ca 0.02 0.18 -0.26 0.00 -0.37 0.00 0.00 57.07 56.64 1xl9 s TYR 186 Cb -0.16 -1.70 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1xl9 s TYR 186 CO -0.02 0.56 1.21 0.45 -1.57 0.00 0.00 175.55 176.19 1xl9 s SER 187 N -2.32 6.54 -0.11 2.29 0.15 -0.47 -1.50 113.70 118.28 1xl9 s SER 187 Ca 0.30 2.45 0.17 0.00 0.70 0.00 0.00 55.95 59.58 1xl9 s SER 187 Cb -0.12 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.20 1xl9 s SER 187 CO 0.23 -0.67 1.55 0.61 1.20 0.00 0.00 173.24 176.15 1xl9 n GLY 188 N 0.70 2.98 2.95 9.45 0.00 0.29 -0.91 105.19 120.64 1xl9 n GLY 188 Ca 0.03 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.09 3.44 0.13 1.61 1.01 -1.26 -4.68 116.67 115.83 1xl9 s ASP 189 Ca 0.46 -0.95 -0.22 0.00 0.71 0.00 0.00 52.55 52.55 1xl9 s ASP 189 Cb 0.30 -1.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 1xl9 s ASP 189 CO 0.20 -0.19 1.68 0.44 0.21 0.00 0.00 175.17 177.52 1xl9 h ASP 190 N 8.00 -0.38 -0.91 0.27 3.32 -1.92 -1.96 116.42 122.84 1xl9 h ASP 190 Ca -0.23 0.07 0.17 0.00 0.02 0.00 0.00 57.03 57.06 1xl9 h ASP 190 Cb 1.09 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 1xl9 h ASP 190 CO 0.43 -0.17 0.59 1.23 -1.72 0.00 0.00 179.24 179.61 1xl9 h GLY 191 N -0.15 1.15 0.07 2.75 0.00 -1.92 -0.10 103.07 104.87 1xl9 h GLY 191 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1xl9 h GLY 191 CO -0.20 0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.41 1xl9 n LEU 192 N -4.57 0.00 0.12 3.11 4.77 -0.74 -4.43 117.00 115.27 1xl9 n LEU 192 Ca 0.19 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 1xl9 n LEU 192 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1xl9 n LEU 192 CO 0.29 0.00 0.78 0.74 -1.33 0.00 0.00 177.39 177.87 1xl9 h THR 193 N 0.00 0.85 0.48 -5.08 2.02 -1.00 -1.53 112.91 108.65 1xl9 h THR 193 Ca 0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1xl9 h THR 193 Cb 0.00 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1xl9 h THR 193 CO 0.00 0.03 -0.35 0.25 0.37 0.00 0.00 175.52 175.82 1xl9 h LEU 194 N -0.30 -0.90 -1.60 2.58 5.85 -1.82 -1.84 115.31 117.27 1xl9 h LEU 194 Ca -0.03 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1xl9 h LEU 194 Cb 0.23 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1xl9 h LEU 194 CO 0.04 -0.53 -0.19 1.55 -0.34 0.00 0.00 178.44 178.97 1xl9 h PRO 195 N -0.81 0.00 -0.26 5.25 0.13 -1.86 -1.64 132.00 132.79 1xl9 h PRO 195 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 1xl9 h PRO 195 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1xl9 h PRO 195 CO 0.02 0.19 -0.45 0.00 -0.23 0.00 0.00 178.00 177.53 1xl9 h ALA 196 N 1.81 0.41 -0.22 -0.56 0.00 -1.17 -3.11 119.26 116.43 1xl9 h ALA 196 Ca -0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1xl9 h ALA 196 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xl9 h ALA 196 CO 0.03 0.55 -0.42 0.52 0.00 0.00 0.00 179.25 179.93 1xl9 h MET 197 N 0.52 0.51 -0.86 0.00 2.86 -1.15 -0.91 114.93 115.90 1xl9 h MET 197 Ca 0.02 -0.26 0.22 0.00 -2.06 0.00 0.00 59.70 57.61 1xl9 h MET 197 Cb 1.05 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.59 1xl9 h MET 197 CO 0.10 0.84 0.29 0.00 1.06 0.00 0.00 176.91 179.21 1xl9 h ALA 198 N 1.13 1.29 -0.01 6.32 0.00 -1.32 -1.34 119.26 125.32 1xl9 h ALA 198 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xl9 h ALA 198 Cb 0.91 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xl9 h ALA 198 CO 0.08 -0.39 -0.01 1.33 0.00 0.00 0.00 179.25 180.25 1xl9 n VAL 199 N -5.14 0.00 0.00 0.00 0.24 -1.01 -4.92 118.33 107.50 1xl9 n VAL 199 Ca 0.21 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1xl9 n VAL 199 Cb 0.64 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 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 1.17 1.31 3.77 7.63 0.00 -0.51 -4.83 105.19 113.74 1xl9 n GLY 200 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.09 0.24 4.61 0.00 -0.38 -4.89 121.76 122.44 1xl9 s ALA 201 Ca 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 1xl9 s ALA 201 Cb 0.00 -3.40 0.28 0.00 0.00 0.00 0.00 23.12 20.00 1xl9 s ALA 201 CO 0.00 -0.64 1.73 -0.22 0.00 0.00 0.00 175.76 176.63 1xl9 h LYS 202 N 2.39 0.85 0.00 0.00 3.11 -1.14 -3.40 116.57 118.38 1xl9 h LYS 202 Ca -0.49 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.11 1xl9 h LYS 202 Cb 1.24 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1xl9 h LYS 202 CO 0.61 0.85 0.00 0.41 -2.81 0.00 0.00 179.45 178.52 1xl9 n GLY 203 N -0.59 -0.79 3.04 5.01 0.00 -1.25 -4.58 105.19 106.03 1xl9 n GLY 203 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.24 0.86 -0.29 -0.61 1.10 0.31 -1.36 121.20 117.97 1xl9 s ILE 204 Ca 0.00 -0.45 -0.13 0.00 -0.51 0.00 0.00 60.65 59.57 1xl9 s ILE 204 Cb 0.00 -0.73 -0.04 0.00 0.15 0.00 0.00 42.46 41.83 1xl9 s ILE 204 CO 0.00 0.25 0.26 -0.69 -2.11 0.00 0.00 174.94 172.65 1xl9 s VAL 205 N -0.12 5.26 0.13 4.00 1.01 -0.09 -1.61 120.40 128.98 1xl9 s VAL 205 Ca 0.02 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1xl9 s VAL 205 Cb -0.06 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1xl9 s VAL 205 CO -0.00 0.17 -0.18 -0.55 0.00 0.00 0.00 175.10 174.54 1xl9 s SER 206 N 1.72 2.49 -0.11 3.32 0.15 0.42 -4.51 113.70 117.18 1xl9 s SER 206 Ca 0.09 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 56.00 1xl9 s SER 206 Cb -0.16 -0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 63.92 1xl9 s SER 206 CO 0.11 -0.02 -0.06 0.52 1.20 0.00 0.00 173.24 174.99 1xl9 n VAL 207 N 0.65 0.70 0.31 4.45 0.31 -1.26 -0.82 118.33 122.67 1xl9 n VAL 207 Ca -0.16 -0.33 0.19 0.00 -0.01 0.00 0.00 64.34 64.03 1xl9 n VAL 207 Cb 0.56 -0.87 1.03 0.00 -0.91 0.00 0.00 33.84 33.65 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 0.18 1.21 0.00 3.52 0.00 -1.96 -2.73 119.26 119.49 1xl9 h ALA 208 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xl9 h ALA 208 Cb 1.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1xl9 h ALA 208 CO -0.02 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1xl9 n SER 209 N -3.41 0.05 0.13 0.00 3.41 -1.26 -0.67 113.62 111.87 1xl9 n SER 209 Ca -0.03 0.52 -0.02 0.00 -0.26 0.00 0.00 58.87 59.08 1xl9 n SER 209 Cb 0.11 -0.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.70 1xl9 n SER 209 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xl9 h HIS 210 N 0.00 0.02 0.00 7.33 3.86 -1.81 -3.18 115.15 121.37 1xl9 h HIS 210 Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1xl9 h HIS 210 Cb 0.16 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1xl9 h HIS 210 CO 0.00 0.63 -1.04 1.33 0.86 0.00 0.00 177.93 179.71 1xl9 n VAL 211 N -3.81 0.03 -2.38 2.45 0.24 0.15 -4.82 118.33 110.20 1xl9 n VAL 211 Ca -0.01 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 1xl9 n VAL 211 Cb 0.62 -0.56 0.06 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.88 1.52 0.21 1.34 -5.35 -0.18 -4.89 119.36 110.13 1xl9 n ILE 212 Ca -0.01 -2.98 0.05 0.00 -0.27 0.00 0.00 62.75 59.54 1xl9 n ILE 212 Cb 0.38 0.35 0.45 0.00 -1.74 0.00 0.00 39.64 39.08 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 1.98 0.00 0.97 3.28 0.00 -1.68 -2.10 103.07 105.53 1xl9 h GLY 213 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1xl9 h GLY 213 CO 0.31 0.00 0.22 3.43 0.00 0.00 0.00 176.54 180.50 1xl9 h ASN 214 N 0.00 0.62 -0.46 0.19 2.35 -1.86 -2.62 115.58 113.78 1xl9 h ASN 214 Ca -0.00 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 1xl9 h ASN 214 Cb 0.52 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1xl9 h ASN 214 CO 0.04 0.57 -0.10 -0.33 -1.65 0.00 0.00 177.43 175.96 1xl9 h GLU 215 N 0.61 0.93 -0.86 0.81 3.07 -1.86 -1.02 114.58 116.26 1xl9 h GLU 215 Ca 0.16 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1xl9 h GLU 215 Cb 0.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1xl9 h GLU 215 CO -0.02 0.98 0.44 0.52 -1.40 0.00 0.00 179.01 179.54 1xl9 h MET 216 N 0.84 1.22 -0.30 2.33 2.86 -1.40 0.13 114.93 120.60 1xl9 h MET 216 Ca 0.14 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1xl9 h MET 216 Cb 0.63 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1xl9 h MET 216 CO 0.04 0.91 -0.49 0.37 1.06 0.00 0.00 176.91 178.80 1xl9 h GLN 217 N 1.21 0.83 0.21 1.72 5.75 -1.23 -0.60 115.11 123.00 1xl9 h GLN 217 Ca 0.30 -0.49 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1xl9 h GLN 217 Cb 0.07 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1xl9 h GLN 217 CO -0.04 1.13 -0.28 1.49 -2.65 0.00 0.00 178.83 178.47 1xl9 h GLU 218 N 0.65 -0.54 -0.48 1.69 4.81 -0.88 -1.72 114.58 118.11 1xl9 h GLU 218 Ca 0.03 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1xl9 h GLU 218 Cb 1.08 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 1xl9 h GLU 218 CO 0.11 -0.36 0.11 1.98 -0.73 0.00 0.00 179.01 180.12 1xl9 h MET 219 N -0.56 0.24 -0.52 1.92 4.05 -0.67 -1.39 114.93 118.00 1xl9 h MET 219 Ca 0.01 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1xl9 h MET 219 Cb 0.54 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1xl9 h MET 219 CO -0.11 0.16 0.19 0.82 0.23 0.00 0.00 176.91 178.21 1xl9 h ILE 220 N 0.24 1.22 -0.69 1.77 2.04 -0.97 -1.40 117.51 119.73 1xl9 h ILE 220 Ca 0.24 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1xl9 h ILE 220 Cb 0.31 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1xl9 h ILE 220 CO -0.31 0.27 0.41 0.00 0.00 0.00 0.00 178.15 178.52 1xl9 h ALA 221 N 1.05 0.88 -0.62 1.87 0.00 -1.08 -1.67 119.26 119.68 1xl9 h ALA 221 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xl9 h ALA 221 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xl9 h ALA 221 CO -0.01 0.35 0.38 0.00 0.00 0.00 0.00 179.25 179.97 1xl9 h ALA 222 N 1.21 0.80 0.65 0.00 0.00 -0.99 0.05 119.26 120.97 1xl9 h ALA 222 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xl9 h ALA 222 Cb -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xl9 h ALA 222 CO -0.05 0.27 -0.31 0.35 0.00 0.00 0.00 179.25 179.52 1xl9 h PHE 223 N 0.85 -0.80 -0.86 0.00 3.57 -1.02 0.20 116.94 118.87 1xl9 h PHE 223 Ca 0.22 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.93 1xl9 h PHE 223 Cb -0.02 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1xl9 h PHE 223 CO -0.02 -0.46 0.60 1.96 -2.23 0.00 0.00 178.31 178.16 1xl9 h GLN 224 N -1.01 0.17 -0.00 1.11 4.20 -1.16 0.29 115.11 118.71 1xl9 h GLN 224 Ca -0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xl9 h GLN 224 Cb 0.70 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1xl9 h GLN 224 CO 0.15 0.11 -0.00 0.00 -0.67 0.00 0.00 178.83 178.42 1xl9 n ALA 225 N -2.62 2.47 -1.00 3.87 0.00 -0.01 -4.93 120.51 118.29 1xl9 n ALA 225 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xl9 n ALA 225 Cb 0.81 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.31 0.38 3.07 0.00 0.00 0.10 -4.97 105.19 105.09 1xl9 n GLY 226 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1xl9 n GLY 226 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xl9 n GLU 227 N -2.04 3.25 0.16 1.61 0.28 0.65 -4.81 120.64 119.75 1xl9 n GLU 227 Ca 0.00 -3.25 0.01 0.00 -0.16 0.00 0.00 57.16 53.76 1xl9 n GLU 227 Cb 0.12 -3.17 0.30 0.00 1.43 0.00 0.00 31.44 30.12 1xl9 n GLU 227 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1xl9 h PHE 228 N 6.43 0.05 0.00 -1.84 0.04 -1.89 -1.79 116.94 117.94 1xl9 h PHE 228 Ca 0.45 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 61.06 1xl9 h PHE 228 Cb 0.72 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 1xl9 h PHE 228 CO 1.32 0.46 -0.70 -0.22 -0.60 0.00 0.00 178.31 178.57 1xl9 h LYS 229 N 0.04 0.00 -0.14 1.51 3.64 -1.95 -2.05 116.57 117.62 1xl9 h LYS 229 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1xl9 h LYS 229 Cb 0.76 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1xl9 h LYS 229 CO 0.06 0.70 -0.63 -0.22 -2.27 0.00 0.00 179.45 177.09 1xl9 h LYS 230 N 0.00 0.67 -0.71 1.90 3.64 -1.87 -2.82 116.57 117.38 1xl9 h LYS 230 Ca -0.01 -0.54 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1xl9 h LYS 230 Cb 1.52 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.41 1xl9 h LYS 230 CO 0.09 1.15 0.36 0.00 -2.27 0.00 0.00 179.45 178.79 1xl9 h ALA 231 N 0.52 1.30 -0.25 5.00 0.00 -1.37 -2.99 119.26 121.47 1xl9 h ALA 231 Ca -0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1xl9 h ALA 231 Cb 1.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xl9 h ALA 231 CO 0.13 0.55 -0.34 1.96 0.00 0.00 0.00 179.25 181.55 1xl9 h GLN 232 N 1.00 0.54 -0.30 0.00 4.20 -1.36 0.22 115.11 119.40 1xl9 h GLN 232 Ca 0.25 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1xl9 h GLN 232 Cb 0.06 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1xl9 h GLN 232 CO -0.04 0.82 -0.19 0.87 -0.67 0.00 0.00 178.83 179.62 1xl9 h LYS 233 N 0.46 0.56 0.05 1.46 1.79 -1.46 -2.23 116.57 117.19 1xl9 h LYS 233 Ca 0.05 -0.19 -0.25 0.00 -2.18 0.00 0.00 60.65 58.08 1xl9 h LYS 233 Cb 0.82 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1xl9 h LYS 233 CO 0.07 0.72 -0.99 -0.07 -1.08 0.00 0.00 179.45 178.09 1xl9 h LEU 234 N 0.50 0.79 -0.69 2.94 3.38 -1.31 -2.84 115.31 118.08 1xl9 h LEU 234 Ca 0.08 -0.78 0.14 0.00 0.09 0.00 0.00 57.88 57.41 1xl9 h LEU 234 Cb 0.61 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 1xl9 h LEU 234 CO 0.04 1.48 0.19 -0.74 0.09 0.00 0.00 178.44 179.51 1xl9 h HIS 235 N 0.20 0.32 0.04 1.13 2.76 -0.56 0.15 115.15 119.18 1xl9 h HIS 235 Ca -0.14 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1xl9 h HIS 235 Cb 1.68 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.60 1xl9 h HIS 235 CO 0.12 -0.02 -0.02 1.96 -1.30 0.00 0.00 177.93 178.67 1xl9 h GLN 236 N 0.32 -0.06 -0.81 5.26 4.20 -1.38 0.54 115.11 123.18 1xl9 h GLN 236 Ca 0.38 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.24 1xl9 h GLN 236 Cb 0.60 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.30 1xl9 h GLN 236 CO -0.44 -0.02 0.39 1.25 -0.67 0.00 0.00 178.83 179.33 1xl9 h LEU 237 N -0.08 0.43 0.45 1.46 5.85 -1.21 -1.55 115.31 120.66 1xl9 h LEU 237 Ca -0.01 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xl9 h LEU 237 Cb 0.06 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1xl9 h LEU 237 CO 0.01 0.17 -0.23 0.25 -0.34 0.00 0.00 178.44 178.30 1xl9 h LEU 238 N 0.55 -0.55 -0.39 2.25 6.46 0.37 -1.01 115.31 122.99 1xl9 h LEU 238 Ca 0.45 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.24 1xl9 h LEU 238 Cb 0.65 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1xl9 h LEU 238 CO -0.38 -0.38 0.25 0.58 -0.62 0.00 0.00 178.44 177.89 1xl9 h VAL 239 N -0.62 1.08 0.26 1.05 2.07 -0.82 0.18 116.25 119.45 1xl9 h VAL 239 Ca -0.06 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xl9 h VAL 239 Cb 0.49 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xl9 h VAL 239 CO 0.09 0.09 -0.13 -0.09 0.02 0.00 0.00 177.57 177.56 1xl9 h ARG 240 N 0.51 -0.34 -0.74 1.57 2.43 -1.20 -1.21 114.38 115.41 1xl9 h ARG 240 Ca 0.15 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1xl9 h ARG 240 Cb -0.04 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 1xl9 h ARG 240 CO -0.04 -0.13 0.40 0.28 -1.51 0.00 0.00 179.97 178.96 1xl9 h VAL 241 N -0.48 0.91 -0.73 0.20 2.07 -1.09 -2.96 116.25 114.17 1xl9 h VAL 241 Ca -0.04 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xl9 h VAL 241 Cb 0.36 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1xl9 h VAL 241 CO 0.06 0.13 0.46 0.74 0.02 0.00 0.00 177.57 178.97 1xl9 h THR 242 N 0.70 1.20 -0.72 2.57 2.02 -0.35 -2.61 112.91 115.71 1xl9 h THR 242 Ca 0.35 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1xl9 h THR 242 Cb 0.30 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1xl9 h THR 242 CO -0.23 0.21 0.36 0.44 0.37 0.00 0.00 175.52 176.66 1xl9 h ASP 243 N 1.00 0.92 0.34 4.18 3.32 -1.07 -1.45 116.42 123.67 1xl9 h ASP 243 Ca 0.27 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1xl9 h ASP 243 Cb -0.06 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1xl9 h ASP 243 CO -0.05 0.77 0.00 0.77 -1.72 0.00 0.00 179.24 179.01 1xl9 h SER 244 N 1.02 0.00 0.32 6.45 4.64 -1.35 -2.72 113.55 121.91 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 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xl9 h SER 244 CO -0.03 0.00 -0.54 0.18 -0.87 0.00 0.00 176.83 175.57 1xl9 n LEU 245 N -2.60 0.81 -0.17 5.97 4.32 -0.55 -3.92 117.00 120.84 1xl9 n LEU 245 Ca -0.01 -0.20 0.05 0.00 -0.02 0.00 0.00 56.01 55.84 1xl9 n LEU 245 Cb 0.13 -0.16 0.07 0.00 -1.62 0.00 0.00 43.42 41.85 1xl9 n LEU 245 CO 0.18 0.18 0.45 0.49 -1.22 0.00 0.00 177.39 177.47 1xl9 n PHE 246 N -1.22 0.00 0.01 -1.77 3.72 -1.03 -4.50 117.46 112.67 1xl9 n PHE 246 Ca 0.07 -0.60 -0.10 0.00 -0.05 0.00 0.00 57.45 56.77 1xl9 n PHE 246 Cb 0.35 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.00 0.56 -6.07 -1.08 2.86 -1.67 -3.44 114.93 106.09 1xl9 h MET 247 Ca 0.00 -0.38 -0.56 0.00 -2.06 0.00 0.00 59.70 56.70 1xl9 h MET 247 Cb 1.05 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 1xl9 h MET 247 CO 0.00 1.00 -0.56 0.00 1.06 0.00 0.00 176.91 178.41 1xl9 s ALA 248 N -3.90 3.41 -0.06 6.32 0.00 -1.26 -5.07 121.76 121.20 1xl9 s ALA 248 Ca -0.07 -1.86 -0.35 0.00 0.00 0.00 0.00 51.96 49.68 1xl9 s ALA 248 Cb 0.11 -0.64 -0.13 0.00 0.00 0.00 0.00 23.12 22.46 1xl9 s ALA 248 CO 0.85 0.05 1.77 -2.30 0.00 0.00 0.00 175.76 176.13 1xl9 n PRO 249 N -1.09 1.96 -2.04 0.00 -0.02 -1.26 -4.76 135.00 127.78 1xl9 n PRO 249 Ca -0.03 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 1xl9 n PRO 249 Cb 0.61 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.18 5.81 -0.15 2.55 0.15 -1.26 -2.06 113.70 121.91 1xl9 s SER 250 Ca 0.90 2.53 0.12 0.00 0.70 0.00 0.00 55.95 60.20 1xl9 s SER 250 Cb -0.76 -2.62 0.60 0.00 -1.71 0.00 0.00 66.02 61.53 1xl9 s SER 250 CO 0.51 -1.18 1.44 -0.81 1.20 0.00 0.00 173.24 174.40 1xl9 n PRO 251 N -0.65 3.70 -0.20 5.44 -0.04 -1.26 -4.98 135.00 137.00 1xl9 n PRO 251 Ca 0.08 -2.33 -0.03 0.00 -0.04 0.00 0.00 63.50 61.18 1xl9 n PRO 251 Cb 0.46 -1.98 0.08 0.00 -0.04 0.00 0.00 33.50 32.02 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 3.08 0.96 -0.91 0.52 2.02 -1.75 -1.88 112.91 114.96 1xl9 h THR 252 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1xl9 h THR 252 Cb 1.48 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1xl9 h THR 252 CO 0.31 0.11 0.58 -0.65 0.37 0.00 0.00 175.52 176.24 1xl9 h PRO 253 N 0.60 1.21 0.00 6.66 0.11 -1.80 -0.62 132.00 138.16 1xl9 h PRO 253 Ca 0.27 -0.09 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 1xl9 h PRO 253 Cb 0.16 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1xl9 h PRO 253 CO -0.17 0.82 -0.61 -0.24 -0.21 0.00 0.00 178.00 177.59 1xl9 h VAL 254 N 1.24 1.25 -0.30 3.15 3.04 -1.72 -0.08 116.25 122.84 1xl9 h VAL 254 Ca 0.33 -2.24 -0.12 0.00 -1.01 0.00 0.00 66.70 63.66 1xl9 h VAL 254 Cb -0.11 2.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1xl9 h VAL 254 CO -0.07 0.60 -0.28 0.11 -1.01 0.00 0.00 177.57 176.92 1xl9 h LYS 255 N 0.00 0.72 -0.15 4.17 1.57 -1.14 -2.05 116.57 119.68 1xl9 h LYS 255 Ca -0.01 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1xl9 h LYS 255 Cb 1.23 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1xl9 h LYS 255 CO 0.08 0.99 -0.11 1.15 -0.57 0.00 0.00 179.45 180.99 1xl9 h THR 256 N 0.46 0.67 -0.74 -0.16 2.02 -0.91 -2.70 112.91 111.55 1xl9 h THR 256 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1xl9 h THR 256 Cb 0.85 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1xl9 h THR 256 CO 0.07 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.45 1xl9 h ALA 257 N 0.99 1.50 -0.24 6.16 0.00 -0.96 -2.24 119.26 124.47 1xl9 h ALA 257 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xl9 h ALA 257 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xl9 h ALA 257 CO -0.23 0.45 0.12 -0.07 0.00 0.00 0.00 179.25 179.52 1xl9 h LEU 258 N 0.97 0.31 -0.63 0.00 3.38 -1.14 -1.98 115.31 116.22 1xl9 h LEU 258 Ca 0.28 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1xl9 h LEU 258 Cb -0.06 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1xl9 h LEU 258 CO -0.07 0.33 0.31 -0.61 0.09 0.00 0.00 178.44 178.49 1xl9 h GLN 259 N 0.27 0.54 -0.95 1.13 -0.00 -1.02 0.20 115.11 115.27 1xl9 h GLN 259 Ca 0.08 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.78 1xl9 h GLN 259 Cb 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.39 1xl9 h GLN 259 CO -0.01 0.36 0.60 0.52 0.00 0.00 0.00 178.83 180.30 1xl9 h MET 260 N 0.55 1.03 -0.88 1.69 2.86 -0.92 -1.23 114.93 118.04 1xl9 h MET 260 Ca 0.30 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1xl9 h MET 260 Cb 0.27 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1xl9 h MET 260 CO -0.23 0.68 0.04 1.33 1.06 0.00 0.00 176.91 179.80 1xl9 n VAL 261 N -4.57 1.14 -0.63 -2.22 0.24 -0.79 -4.91 118.33 106.59 1xl9 n VAL 261 Ca 0.15 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1xl9 n VAL 261 Cb 0.22 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 0.17 0.78 3.01 7.63 0.00 -0.46 -5.02 105.19 111.30 1xl9 n GLY 262 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 4.92 0.12 0.99 0.20 0.67 -4.95 118.68 120.63 1xl9 s LEU 263 Ca 0.00 -3.28 -0.31 0.00 0.69 0.00 0.00 54.13 51.23 1xl9 s LEU 263 Cb 0.00 -1.75 -0.09 0.00 -0.43 0.00 0.00 46.19 43.92 1xl9 s LEU 263 CO 0.00 -0.23 1.50 -0.62 -0.29 0.00 0.00 176.35 176.71 1xl9 s ASP 264 N -0.23 6.70 -0.07 3.68 -1.08 -1.26 -2.13 116.67 122.29 1xl9 s ASP 264 Ca 0.20 2.44 0.10 0.00 -0.52 0.00 0.00 52.55 54.78 1xl9 s ASP 264 Cb -0.16 -2.58 0.16 0.00 -1.46 0.00 0.00 42.92 38.87 1xl9 s ASP 264 CO -0.07 -0.76 1.06 1.33 0.52 0.00 0.00 175.17 177.25 1xl9 n VAL 265 N 4.14 1.10 -4.36 1.11 0.24 -1.26 -4.94 118.33 114.36 1xl9 n VAL 265 Ca 0.13 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 1xl9 n VAL 265 Cb 0.41 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.82 -0.73 0.00 7.63 0.00 -1.23 -1.18 105.19 108.87 1xl9 n GLY 266 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.01 0.20 -4.47 1.61 2.88 -1.26 -4.77 113.62 106.80 1xl9 n SER 267 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 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 2.36 1.65 0.06 2.46 -7.23 -1.26 -4.50 120.40 113.94 1xl9 s VAL 268 Ca 0.00 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.05 1xl9 s VAL 268 Cb 0.00 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1xl9 s VAL 268 CO 0.00 -0.19 0.25 -0.13 -0.31 0.00 0.00 175.10 174.72 1xl9 s ARG 269 N -3.75 3.50 0.39 4.82 0.52 -1.26 -4.85 118.95 118.33 1xl9 s ARG 269 Ca 0.32 -0.28 -0.27 0.00 -0.52 0.00 0.00 55.73 54.98 1xl9 s ARG 269 Cb 0.05 -3.01 -0.11 0.00 0.52 0.00 0.00 34.95 32.41 1xl9 s ARG 269 CO 0.14 0.59 1.36 1.28 0.02 0.00 0.00 175.30 178.69 1xl9 n LEU 270 N 0.46 4.27 -0.31 2.53 4.77 -1.26 -1.24 117.00 126.23 1xl9 n LEU 270 Ca -0.06 1.17 0.01 0.00 -0.03 0.00 0.00 56.01 57.10 1xl9 n LEU 270 Cb 0.52 -1.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1xl9 n LEU 270 CO 0.48 -0.31 0.48 -0.81 -1.33 0.00 0.00 177.39 175.90 1xl9 n PRO 271 N 0.25 1.29 -3.49 3.23 -0.04 -1.26 -4.93 135.00 130.05 1xl9 n PRO 271 Ca 0.04 -0.35 -0.27 0.00 -0.04 0.00 0.00 63.50 62.88 1xl9 n PRO 271 Cb 0.39 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.82 4.12 0.09 1.53 1.43 -0.37 -5.12 118.68 119.54 1xl9 s LEU 272 Ca 0.06 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1xl9 s LEU 272 Cb 0.04 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1xl9 s LEU 272 CO 0.04 -0.15 -0.11 -0.76 0.23 0.00 0.00 176.35 175.60 1xl9 s LEU 273 N -3.55 2.38 0.46 1.79 1.43 -1.26 -4.39 118.68 115.54 1xl9 s LEU 273 Ca 0.41 -0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1xl9 s LEU 273 Cb -0.11 -0.34 -0.10 0.00 0.03 0.00 0.00 46.19 45.67 1xl9 s LEU 273 CO 0.30 -0.23 0.80 -2.65 0.23 0.00 0.00 176.35 174.80 1xl9 n PRO 274 N 0.67 0.94 -1.56 1.29 -0.02 -1.26 -4.90 135.00 130.16 1xl9 n PRO 274 Ca -0.17 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 1xl9 n PRO 274 Cb 0.57 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1xl9 n PRO 274 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xl9 n LEU 275 N 0.60 2.26 -4.80 2.45 4.32 -1.26 -5.01 117.00 115.57 1xl9 n LEU 275 Ca 0.11 0.87 -0.30 0.00 -0.02 0.00 0.00 56.01 56.67 1xl9 n LEU 275 Cb 0.41 -1.30 0.18 0.00 -1.62 0.00 0.00 43.42 41.09 1xl9 n LEU 275 CO 0.54 -2.15 0.76 0.42 -1.22 0.00 0.00 177.39 175.74 1xl9 s THR 276 N -1.49 1.89 0.06 -5.08 -4.23 -1.26 -4.84 115.64 100.68 1xl9 s THR 276 Ca 0.69 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.97 1xl9 s THR 276 Cb -0.48 -2.79 -0.14 0.00 1.34 0.00 0.00 72.50 70.43 1xl9 s THR 276 CO 0.53 0.00 1.55 -0.08 -0.54 0.00 0.00 174.62 176.08 1xl9 h GLU 277 N -1.82 0.12 -0.85 3.99 4.57 -1.99 -1.71 114.58 116.89 1xl9 h GLU 277 Ca -0.46 -0.03 0.10 0.00 -1.18 0.00 0.00 59.36 57.79 1xl9 h GLU 277 Cb 1.28 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.74 1xl9 h GLU 277 CO 0.46 0.30 -0.43 0.39 -1.18 0.00 0.00 179.01 178.55 1xl9 n GLU 278 N -4.91 -0.30 0.10 1.92 -0.58 -1.26 -1.44 120.64 114.18 1xl9 n GLU 278 Ca -0.06 1.30 -0.03 0.00 -0.42 0.00 0.00 57.16 57.95 1xl9 n GLU 278 Cb 0.14 -1.91 0.20 0.00 -0.57 0.00 0.00 31.44 29.30 1xl9 n GLU 278 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xl9 h GLU 279 N 0.00 0.21 -0.05 3.49 5.08 -1.87 -2.42 114.58 119.02 1xl9 h GLU 279 Ca 0.21 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xl9 h GLU 279 Cb 0.42 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1xl9 h GLU 279 CO -0.82 0.65 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.73 1xl9 h ARG 280 N 0.17 0.10 -0.53 2.33 2.43 -0.97 -1.91 114.38 116.00 1xl9 h ARG 280 Ca 0.01 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1xl9 h ARG 280 Cb 0.91 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.39 1xl9 h ARG 280 CO 0.07 0.46 0.18 0.28 -1.51 0.00 0.00 179.97 179.44 1xl9 h VAL 281 N -0.27 0.79 -0.54 0.20 2.07 -1.13 0.51 116.25 117.88 1xl9 h VAL 281 Ca 0.01 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1xl9 h VAL 281 Cb 0.42 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1xl9 h VAL 281 CO 0.01 0.06 -0.03 0.74 0.02 0.00 0.00 177.57 178.37 1xl9 h THR 282 N 0.34 1.27 -0.42 2.57 2.02 -1.44 -2.72 112.91 114.53 1xl9 h THR 282 Ca 0.26 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1xl9 h THR 282 Cb 0.31 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1xl9 h THR 282 CO -0.28 0.41 -0.09 0.25 0.37 0.00 0.00 175.52 176.17 1xl9 h LEU 283 N 0.84 0.81 -0.42 2.58 5.85 -0.89 -3.14 115.31 120.93 1xl9 h LEU 283 Ca 0.15 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1xl9 h LEU 283 Cb 0.57 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1xl9 h LEU 283 CO 0.03 0.98 -0.06 -0.61 -0.34 0.00 0.00 178.44 178.44 1xl9 h GLN 284 N 0.63 0.04 -0.36 1.25 5.75 -0.84 -2.10 115.11 119.48 1xl9 h GLN 284 Ca 0.11 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1xl9 h GLN 284 Cb 0.62 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 1xl9 h GLN 284 CO 0.04 0.03 0.18 0.77 -2.65 0.00 0.00 178.83 177.20 1xl9 h SER 285 N 0.05 0.43 -0.33 -0.69 0.02 -1.44 0.50 113.55 112.08 1xl9 h SER 285 Ca 0.20 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.99 1xl9 h SER 285 Cb 0.30 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1xl9 h SER 285 CO -0.39 0.37 -0.28 0.58 -1.14 0.00 0.00 176.83 175.97 1xl9 h VAL 286 N 0.50 1.27 -0.25 2.27 2.07 -1.43 -2.76 116.25 117.92 1xl9 h VAL 286 Ca 0.13 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 1xl9 h VAL 286 Cb 0.05 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1xl9 h VAL 286 CO -0.02 0.48 -0.21 0.24 0.02 0.00 0.00 177.57 178.08 1xl9 h MET 287 N 0.72 0.46 0.00 1.57 2.07 -0.56 -2.73 114.93 116.46 1xl9 h MET 287 Ca 0.09 -0.16 -0.07 0.00 -2.07 0.00 0.00 59.70 57.48 1xl9 h MET 287 Cb 0.82 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.50 1xl9 h MET 287 CO 0.07 0.65 -0.36 1.96 1.07 0.00 0.00 176.91 180.31 1xl9 h GLN 288 N 0.42 0.00 0.00 1.72 7.50 -0.86 -3.01 115.11 120.88 1xl9 h GLN 288 Ca 0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1xl9 h GLN 288 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.13 1xl9 h GLN 288 CO 0.04 0.36 0.00 -1.13 -1.50 0.00 0.00 178.83 176.60 1xl9 n SER 289 N -3.85 0.00 -4.75 1.46 3.41 -1.03 -4.76 113.62 104.10 1xl9 n SER 289 Ca -0.01 -0.91 -0.40 0.00 -0.26 0.00 0.00 58.87 57.28 1xl9 n SER 289 Cb 0.43 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.03 3.93 -0.08 -1.33 1.01 -1.14 -5.00 121.20 116.56 1xl9 s ILE 290 Ca 0.45 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.66 1xl9 s ILE 290 Cb 0.21 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1xl9 s ILE 290 CO 0.36 0.41 1.52 -2.84 0.00 0.00 0.00 174.94 174.39 1xl9 s PRO 291 N -1.00 4.20 0.00 2.79 0.02 -1.26 -5.08 135.00 134.67 1xl9 s PRO 291 Ca 0.44 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1xl9 s PRO 291 Cb -0.28 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.34 1xl9 s PRO 291 CO 0.35 -0.79 0.20 0.54 -0.33 0.00 0.00 177.00 176.96