#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 4.60 -0.16 3.17 2.07 -1.26 -5.07 121.20 124.55 1xl9 s ILE 2 Ca 0.00 1.32 -0.00 0.00 -1.41 0.00 0.00 60.65 60.56 1xl9 s ILE 2 Cb 0.00 -3.93 0.04 0.00 0.13 0.00 0.00 42.46 38.70 1xl9 s ILE 2 CO 0.00 0.40 -0.08 -0.62 -1.91 0.00 0.00 174.94 172.73 1xl9 s ASP 3 N -1.36 2.84 0.00 4.50 2.15 -1.26 -5.00 116.67 118.54 1xl9 s ASP 3 Ca 0.36 -0.63 0.26 0.00 0.43 0.00 0.00 52.55 52.97 1xl9 s ASP 3 Cb -0.19 -1.02 0.64 0.00 -0.30 0.00 0.00 42.92 42.05 1xl9 s ASP 3 CO 0.21 -0.15 1.51 0.49 -0.17 0.00 0.00 175.17 177.07 1xl9 n PHE 4 N 4.83 0.03 -4.30 -5.34 3.72 -1.26 -4.81 117.46 110.33 1xl9 n PHE 4 Ca -0.13 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1xl9 n PHE 4 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.26 -0.76 0.10 1.37 0.00 -1.26 -3.65 105.19 102.26 1xl9 n GLY 5 Ca 0.17 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 0.95 -3.04 2.61 1.35 -1.92 -3.43 112.91 109.42 1xl9 h THR 6 Ca 0.00 -2.72 -0.60 0.00 -0.55 0.00 0.00 66.41 62.54 1xl9 h THR 6 Cb 0.00 2.55 -0.40 0.00 -1.73 0.00 0.00 68.15 68.57 1xl9 h THR 6 CO 0.00 0.69 -0.75 -0.63 -0.25 0.00 0.00 175.52 174.58 1xl9 s ILE 7 N -2.60 1.24 -0.06 6.82 1.01 -1.26 -0.85 121.20 125.49 1xl9 s ILE 7 Ca -0.09 -2.19 -0.29 0.00 0.00 0.00 0.00 60.65 58.08 1xl9 s ILE 7 Cb 0.08 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1xl9 s ILE 7 CO 0.82 -0.83 0.97 0.00 0.00 0.00 0.00 174.94 175.90 1xl9 s ALA 8 N 0.75 3.29 -0.22 9.38 0.00 -0.72 -0.51 121.76 133.74 1xl9 s ALA 8 Ca 0.15 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 1xl9 s ALA 8 Cb -0.22 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1xl9 s ALA 8 CO -0.07 -0.40 0.12 0.99 0.00 0.00 0.00 175.76 176.40 1xl9 s THR 9 N 1.48 5.02 -1.13 0.00 2.01 0.69 0.17 115.64 123.88 1xl9 s THR 9 Ca 0.49 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.33 1xl9 s THR 9 Cb -0.19 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1xl9 s THR 9 CO 0.22 0.38 1.76 0.00 -0.69 0.00 0.00 174.62 176.29 1xl9 s ALA 10 N 0.95 2.49 0.09 7.40 0.00 -0.38 0.50 121.76 132.80 1xl9 s ALA 10 Ca 0.06 -2.32 -0.31 0.00 0.00 0.00 0.00 51.96 49.40 1xl9 s ALA 10 Cb -0.13 -4.61 -0.06 0.00 0.00 0.00 0.00 23.12 18.31 1xl9 s ALA 10 CO 0.03 -4.14 1.22 1.41 0.00 0.00 0.00 175.76 174.29 1xl9 s MET 11 N 5.47 4.43 0.87 0.00 1.75 -0.74 -4.70 119.30 126.38 1xl9 s MET 11 Ca 0.59 1.83 -0.11 0.00 -1.25 0.00 0.00 55.69 56.75 1xl9 s MET 11 Cb -0.00 -3.31 0.12 0.00 2.84 0.00 0.00 34.83 34.48 1xl9 s MET 11 CO 0.03 -0.25 1.15 0.14 -0.65 0.00 0.00 175.02 175.45 1xl9 s VAL 12 N 0.85 2.25 -0.39 10.11 -7.23 -1.26 -3.13 120.40 121.60 1xl9 s VAL 12 Ca 0.58 0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.75 1xl9 s VAL 12 Cb -0.31 -2.23 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1xl9 s VAL 12 CO 0.31 -0.10 0.21 -0.89 -0.31 0.00 0.00 175.10 174.32 1xl9 s THR 13 N -2.61 4.21 0.32 5.32 2.01 -1.26 -4.83 115.64 118.80 1xl9 s THR 13 Ca 0.67 -1.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1xl9 s THR 13 Cb -0.23 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.69 1xl9 s THR 13 CO 0.56 -0.37 1.55 -2.84 -0.69 0.00 0.00 174.62 172.83 1xl9 s PRO 14 N 1.45 4.13 0.12 4.92 0.02 -1.26 -4.96 135.00 139.41 1xl9 s PRO 14 Ca 0.02 2.55 0.10 0.00 0.02 0.00 0.00 61.00 63.69 1xl9 s PRO 14 Cb -0.21 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1xl9 s PRO 14 CO 0.03 -0.58 -0.25 -0.06 -0.33 0.00 0.00 177.00 175.81 1xl9 s PHE 15 N -0.37 2.14 0.61 6.54 2.99 -0.01 -1.25 117.98 128.62 1xl9 s PHE 15 Ca 0.59 -0.39 -0.10 0.00 0.00 0.00 0.00 56.93 57.03 1xl9 s PHE 15 Cb -0.47 -1.17 0.14 0.00 0.00 0.00 0.00 43.02 41.53 1xl9 s PHE 15 CO 0.52 0.29 0.71 -0.40 -0.00 0.00 0.00 175.22 176.34 1xl9 n ASP 16 N 1.00 -0.57 0.23 1.36 5.68 0.03 -3.57 116.55 120.72 1xl9 n ASP 16 Ca -0.18 -1.13 0.06 0.00 -0.50 0.00 0.00 54.79 53.04 1xl9 n ASP 16 Cb 0.53 -0.57 0.55 0.00 -1.14 0.00 0.00 41.12 40.48 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 -1.72 1.07 -0.37 2.12 6.09 -1.99 -2.23 117.51 120.48 1xl9 h ILE 17 Ca -0.24 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 1xl9 h ILE 17 Cb 0.69 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.23 1xl9 h ILE 17 CO 0.16 0.13 0.00 0.59 -3.07 0.00 0.00 178.15 175.97 1xl9 n ASN 18 N -4.34 2.96 -0.80 2.19 4.13 -1.26 -4.93 115.26 113.21 1xl9 n ASN 18 Ca -0.03 -2.27 -0.10 0.00 1.68 0.00 0.00 54.58 53.87 1xl9 n ASN 18 Cb 0.21 -0.45 -0.04 0.00 -1.54 0.00 0.00 39.78 37.96 1xl9 n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xl9 n GLY 19 N 0.75 1.09 3.91 7.41 0.00 -0.84 -5.02 105.19 112.48 1xl9 n GLY 19 Ca 0.15 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.87 6.43 0.14 1.61 -0.87 -1.26 -4.82 114.94 113.30 1xl9 s ASN 20 Ca 0.00 0.44 -0.32 0.00 -1.57 0.00 0.00 52.86 51.42 1xl9 s ASN 20 Cb 0.00 -2.03 -0.11 0.00 -0.02 0.00 0.00 41.25 39.08 1xl9 s ASN 20 CO 0.00 0.11 1.79 -0.38 -2.57 0.00 0.00 177.10 176.04 1xl9 n ILE 21 N 0.18 0.24 -3.29 0.60 5.41 -1.26 -0.79 119.36 120.44 1xl9 n ILE 21 Ca -0.04 -0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.22 1xl9 n ILE 21 Cb 0.51 -2.02 -0.06 0.00 -0.71 0.00 0.00 39.64 37.36 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 2.17 6.18 0.18 4.38 -1.08 -0.38 -4.78 116.67 123.34 1xl9 s ASP 22 Ca 0.80 -1.43 -0.02 0.00 -0.52 0.00 0.00 52.55 51.38 1xl9 s ASP 22 Cb -0.51 -2.22 0.08 0.00 -1.46 0.00 0.00 42.92 38.81 1xl9 s ASP 22 CO 0.36 -0.81 1.46 -0.26 0.52 0.00 0.00 175.17 176.45 1xl9 h PHE 23 N 8.89 0.61 -0.69 -5.34 -1.00 -1.91 -1.98 116.94 115.50 1xl9 h PHE 23 Ca -0.29 -0.25 0.02 0.00 2.81 0.00 0.00 57.97 60.27 1xl9 h PHE 23 Cb 1.10 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.52 1xl9 h PHE 23 CO 0.71 0.99 0.44 0.00 -1.61 0.00 0.00 178.31 178.84 1xl9 h ALA 24 N 0.95 0.90 -0.27 2.45 0.00 -2.00 -1.71 119.26 119.58 1xl9 h ALA 24 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1xl9 h ALA 24 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xl9 h ALA 24 CO 0.12 0.23 -0.46 -0.22 0.00 0.00 0.00 179.25 178.92 1xl9 h LYS 25 N 0.88 0.71 -0.46 0.00 3.64 -1.94 -2.17 116.57 117.23 1xl9 h LYS 25 Ca 0.27 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1xl9 h LYS 25 Cb -0.02 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1xl9 h LYS 25 CO -0.09 1.02 0.10 1.15 -2.27 0.00 0.00 179.45 179.36 1xl9 h THR 26 N 0.57 0.76 -0.22 1.00 2.02 -1.06 -0.03 112.91 115.94 1xl9 h THR 26 Ca 0.03 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1xl9 h THR 26 Cb 1.02 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1xl9 h THR 26 CO 0.10 0.04 -0.12 0.74 0.37 0.00 0.00 175.52 176.65 1xl9 h THR 27 N 0.23 0.64 -0.59 3.16 2.02 -1.13 0.90 112.91 118.15 1xl9 h THR 27 Ca 0.23 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.47 1xl9 h THR 27 Cb 0.29 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1xl9 h THR 27 CO -0.29 0.00 0.28 0.11 0.37 0.00 0.00 175.52 175.99 1xl9 h LYS 28 N -0.09 0.50 0.36 6.66 1.57 -0.67 -2.30 116.57 122.60 1xl9 h LYS 28 Ca 0.12 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1xl9 h LYS 28 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xl9 h LYS 28 CO -0.28 0.33 -0.17 1.25 -0.57 0.00 0.00 179.45 180.01 1xl9 h LEU 29 N 0.52 -0.41 -0.43 2.94 6.46 -0.76 -1.08 115.31 122.55 1xl9 h LEU 29 Ca 0.27 -0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 1xl9 h LEU 29 Cb 0.24 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.18 1xl9 h LEU 29 CO -0.22 -0.22 -0.21 0.58 -0.62 0.00 0.00 178.44 177.76 1xl9 h VAL 30 N -0.56 0.39 -0.37 1.05 2.07 -0.57 0.36 116.25 118.62 1xl9 h VAL 30 Ca -0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1xl9 h VAL 30 Cb 0.42 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1xl9 h VAL 30 CO 0.08 0.00 -0.18 0.78 0.02 0.00 0.00 177.57 178.27 1xl9 h ASN 31 N -0.12 0.69 -0.06 0.57 2.35 -1.38 -1.65 115.58 115.98 1xl9 h ASN 31 Ca 0.21 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xl9 h ASN 31 Cb 0.44 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1xl9 h ASN 31 CO -0.51 0.87 0.04 0.22 -1.65 0.00 0.00 177.43 176.41 1xl9 h TYR 32 N 0.61 0.08 -0.53 1.19 3.20 -0.59 -1.99 116.97 118.93 1xl9 h TYR 32 Ca 0.09 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1xl9 h TYR 32 Cb 0.65 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1xl9 h TYR 32 CO 0.03 0.06 0.34 -0.07 -1.64 0.00 0.00 178.16 176.89 1xl9 h LEU 33 N 0.07 0.59 -1.10 2.82 3.38 -0.67 -2.06 115.31 118.34 1xl9 h LEU 33 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1xl9 h LEU 33 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1xl9 h LEU 33 CO -0.00 0.42 -0.03 0.40 0.09 0.00 0.00 178.44 179.32 1xl9 h ILE 34 N 0.70 1.22 0.00 1.22 2.04 -1.29 -1.46 117.51 119.94 1xl9 h ILE 34 Ca 0.20 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1xl9 h ILE 34 Cb -0.06 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1xl9 h ILE 34 CO -0.05 0.31 0.00 -0.67 0.00 0.00 0.00 178.15 177.74 1xl9 n ASP 35 N -4.24 0.00 -2.60 1.72 2.03 -0.75 -4.15 116.55 108.56 1xl9 n ASP 35 Ca 0.02 0.02 -0.15 0.00 0.52 0.00 0.00 54.79 55.20 1xl9 n ASP 35 Cb 0.28 -0.28 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.28 2.48 0.00 1.67 3.02 -0.58 -4.99 115.26 115.58 1xl9 n ASN 36 Ca 0.09 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 1xl9 n ASN 36 Cb 0.14 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.20 0.94 3.66 7.41 0.00 -1.23 -3.62 105.19 112.14 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 -2.34 4.62 -0.72 2.61 2.01 -1.03 -4.58 115.64 116.21 1xl9 s THR 38 Ca 0.00 1.96 0.18 0.00 0.31 0.00 0.00 61.69 64.14 1xl9 s THR 38 Cb 0.00 -4.26 -0.21 0.00 0.01 0.00 0.00 72.50 68.04 1xl9 s THR 38 CO 0.00 -0.17 0.71 0.35 -0.69 0.00 0.00 174.62 174.82 1xl9 n THR 39 N 5.32 0.00 -3.49 -0.82 -2.24 0.33 -4.60 114.28 108.78 1xl9 n THR 39 Ca 0.12 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 1xl9 n THR 39 Cb 0.46 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.80 -1.73 -0.15 6.98 0.00 -1.20 -4.20 121.76 118.66 1xl9 s ALA 40 Ca 0.05 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1xl9 s ALA 40 Cb 0.13 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1xl9 s ALA 40 CO 0.75 -0.49 -0.19 0.42 0.00 0.00 0.00 175.76 176.24 1xl9 s ILE 41 N -1.97 2.24 -0.26 0.00 -1.09 -0.27 -0.22 121.20 119.63 1xl9 s ILE 41 Ca -0.07 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.29 1xl9 s ILE 41 Cb -0.00 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1xl9 s ILE 41 CO 0.03 0.54 0.38 -0.69 -1.23 0.00 0.00 174.94 173.96 1xl9 s VAL 42 N 0.93 5.17 -0.15 2.92 1.01 0.18 0.24 120.40 130.70 1xl9 s VAL 42 Ca -0.04 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1xl9 s VAL 42 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1xl9 s VAL 42 CO -0.04 0.16 0.01 -0.69 0.00 0.00 0.00 175.10 174.54 1xl9 s VAL 43 N 2.01 4.30 -1.14 2.92 1.01 0.30 -1.80 120.40 128.01 1xl9 s VAL 43 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1xl9 s VAL 43 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1xl9 s VAL 43 CO 0.10 0.51 0.45 0.61 0.00 0.00 0.00 175.10 176.77 1xl9 n GLY 44 N 3.24 -0.20 0.00 4.51 0.00 -1.26 -1.97 105.19 109.51 1xl9 n GLY 44 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.32 0.83 0.35 -0.02 0.00 -1.26 -4.30 105.19 99.46 1xl9 n GLY 45 Ca -0.08 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.24 0.11 0.00 2.61 2.02 -1.95 0.99 112.91 116.45 1xl9 h THR 46 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1xl9 h THR 46 Cb 0.00 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1xl9 h THR 46 CO 0.00 0.00 -0.17 0.74 0.37 0.00 0.00 175.52 176.46 1xl9 h THR 47 N -0.08 0.77 -0.28 3.16 2.02 -1.87 -0.64 112.91 115.99 1xl9 h THR 47 Ca 0.30 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1xl9 h THR 47 Cb 0.58 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1xl9 h THR 47 CO -0.82 0.16 0.00 0.61 0.37 0.00 0.00 175.52 175.85 1xl9 n GLY 48 N -0.70 0.37 3.30 2.16 0.00 0.27 -4.18 105.19 106.42 1xl9 n GLY 48 Ca -0.02 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 0.35 -6.56 -0.34 1.61 1.02 -0.25 -4.09 120.64 112.38 1xl9 n GLU 49 Ca 0.11 0.77 0.12 0.00 -0.02 0.00 0.00 57.16 58.14 1xl9 n GLU 49 Cb 0.26 -5.60 0.30 0.00 -0.02 0.00 0.00 31.44 26.38 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 -2.03 0.74 -0.81 1.62 4.64 -1.55 -2.08 113.55 114.07 1xl9 h SER 50 Ca -0.53 0.10 0.16 0.00 -0.47 0.00 0.00 61.79 61.04 1xl9 h SER 50 Cb 1.32 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1xl9 h SER 50 CO 0.48 0.27 0.54 -0.65 -0.87 0.00 0.00 176.83 176.60 1xl9 h PRO 51 N 0.74 0.46 -0.61 4.77 0.11 -1.88 -2.25 132.00 133.34 1xl9 h PRO 51 Ca 0.56 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1xl9 h PRO 51 Cb 0.84 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xl9 h PRO 51 CO -0.38 0.30 0.00 0.25 -0.21 0.00 0.00 178.00 177.96 1xl9 n THR 52 N -4.50 1.53 -3.89 -1.15 -2.24 -0.79 -4.93 114.28 98.31 1xl9 n THR 52 Ca 0.16 -1.16 -0.37 0.00 -2.27 0.00 0.00 64.05 60.41 1xl9 n THR 52 Cb 0.55 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.57 4.36 0.66 3.22 1.02 -0.85 -5.09 118.68 120.44 1xl9 s LEU 53 Ca 0.47 0.46 -0.12 0.00 0.02 0.00 0.00 54.13 54.95 1xl9 s LEU 53 Cb 0.28 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 1xl9 s LEU 53 CO 0.25 0.41 1.06 0.42 0.02 0.00 0.00 176.35 178.50 1xl9 s THR 54 N -1.00 4.00 0.37 5.49 -4.23 -1.26 -4.89 115.64 114.11 1xl9 s THR 54 Ca 0.15 0.74 0.09 0.00 -1.18 0.00 0.00 61.69 61.49 1xl9 s THR 54 Cb -0.12 -3.42 0.32 0.00 1.34 0.00 0.00 72.50 70.62 1xl9 s THR 54 CO 0.04 -0.75 1.92 -1.28 -0.54 0.00 0.00 174.62 174.00 1xl9 h SER 55 N -0.30 0.61 -0.07 3.99 0.87 -1.98 -1.16 113.55 115.51 1xl9 h SER 55 Ca -0.45 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 59.97 1xl9 h SER 55 Cb 1.21 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1xl9 h SER 55 CO 0.57 0.35 -0.58 -0.33 -0.53 0.00 0.00 176.83 176.31 1xl9 h GLU 56 N 0.67 0.52 -0.87 2.24 3.07 -2.00 -2.80 114.58 115.40 1xl9 h GLU 56 Ca 0.38 -0.46 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1xl9 h GLU 56 Cb 0.55 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 1xl9 h GLU 56 CO -0.15 1.10 0.57 0.93 -1.40 0.00 0.00 179.01 180.06 1xl9 h GLU 57 N 0.10 1.10 0.10 2.33 5.08 -1.80 -2.28 114.58 119.21 1xl9 h GLU 57 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xl9 h GLU 57 Cb 1.24 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1xl9 h GLU 57 CO 0.12 0.73 -0.08 0.87 -1.00 0.00 0.00 179.01 179.64 1xl9 h LYS 58 N 1.13 -0.18 -0.81 2.33 1.57 -1.24 -1.73 116.57 117.64 1xl9 h LYS 58 Ca 0.34 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1xl9 h LYS 58 Cb -0.05 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1xl9 h LYS 58 CO -0.10 -0.12 0.40 0.28 -0.57 0.00 0.00 179.45 179.34 1xl9 h VAL 59 N -0.19 1.25 -0.68 0.50 2.07 -1.39 0.14 116.25 117.95 1xl9 h VAL 59 Ca -0.00 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1xl9 h VAL 59 Cb 0.17 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1xl9 h VAL 59 CO -0.01 0.29 0.34 0.00 0.02 0.00 0.00 177.57 178.21 1xl9 h ALA 60 N 1.30 1.31 -0.01 1.67 0.00 -1.36 -1.61 119.26 120.57 1xl9 h ALA 60 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xl9 h ALA 60 Cb 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xl9 h ALA 60 CO -0.04 0.54 -0.00 1.25 0.00 0.00 0.00 179.25 181.00 1xl9 h LEU 61 N 0.96 0.01 -0.46 0.00 5.85 -0.78 -0.94 115.31 119.96 1xl9 h LEU 61 Ca 0.24 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1xl9 h LEU 61 Cb 0.08 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 1xl9 h LEU 61 CO -0.03 0.40 -0.23 1.88 -0.34 0.00 0.00 178.44 180.12 1xl9 h TYR 62 N -0.38 -0.58 -0.13 1.25 0.05 -0.63 -1.67 116.97 114.88 1xl9 h TYR 62 Ca 0.00 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1xl9 h TYR 62 Cb 0.39 0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 1xl9 h TYR 62 CO 0.06 -0.31 0.04 -0.09 -1.05 0.00 0.00 178.16 176.82 1xl9 h ARG 63 N -0.13 0.10 -0.24 4.88 2.43 -1.29 0.92 114.38 121.05 1xl9 h ARG 63 Ca 0.21 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 1xl9 h ARG 63 Cb 0.47 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1xl9 h ARG 63 CO -0.54 0.07 -0.07 1.25 -1.51 0.00 0.00 179.97 179.17 1xl9 h HIS 64 N 0.11 -0.15 -0.41 2.20 2.76 -0.80 -1.99 115.15 116.86 1xl9 h HIS 64 Ca 0.06 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 1xl9 h HIS 64 Cb 0.03 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1xl9 h HIS 64 CO -0.11 -0.12 -0.11 0.28 -1.30 0.00 0.00 177.93 176.57 1xl9 h VAL 65 N -0.01 1.28 -0.71 5.26 2.07 -1.08 0.23 116.25 123.29 1xl9 h VAL 65 Ca 0.12 -1.22 0.13 0.00 0.82 0.00 0.00 66.70 66.55 1xl9 h VAL 65 Cb 0.19 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 1xl9 h VAL 65 CO -0.26 0.41 0.26 0.58 0.02 0.00 0.00 177.57 178.58 1xl9 h VAL 66 N 0.62 0.67 -0.19 2.57 2.07 -0.66 -0.37 116.25 120.95 1xl9 h VAL 66 Ca 0.10 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1xl9 h VAL 66 Cb 0.65 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1xl9 h VAL 66 CO 0.04 0.07 -0.11 -1.28 0.02 0.00 0.00 177.57 176.32 1xl9 h SER 67 N 0.41 0.42 0.16 0.57 0.87 -0.79 -2.55 113.55 112.64 1xl9 h SER 67 Ca 0.38 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1xl9 h SER 67 Cb 0.56 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1xl9 h SER 67 CO -0.39 0.75 -0.07 0.58 -0.53 0.00 0.00 176.83 177.16 1xl9 h VAL 68 N 0.09 0.93 -0.93 2.23 2.07 -0.34 -3.20 116.25 117.10 1xl9 h VAL 68 Ca 0.04 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1xl9 h VAL 68 Cb 0.60 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 1xl9 h VAL 68 CO 0.03 0.09 0.55 0.58 0.02 0.00 0.00 177.57 178.85 1xl9 h VAL 69 N -0.40 0.87 -5.99 2.57 2.07 -1.12 -3.47 116.25 110.79 1xl9 h VAL 69 Ca -0.02 -0.30 -0.40 0.00 0.82 0.00 0.00 66.70 66.81 1xl9 h VAL 69 Cb 0.31 -0.07 0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1xl9 h VAL 69 CO 0.04 0.16 -0.82 -0.67 0.02 0.00 0.00 177.57 176.30 1xl9 n ASP 70 N -4.71 -1.34 0.00 0.57 4.64 -0.96 -1.72 116.55 113.03 1xl9 n ASP 70 Ca 0.17 -0.77 0.00 0.00 -1.38 0.00 0.00 54.79 52.81 1xl9 n ASP 70 Cb 0.36 -4.31 0.00 0.00 -1.04 0.00 0.00 41.12 36.14 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 -4.24 -1.28 0.32 -0.67 4.76 -1.26 -4.86 118.16 110.93 1xl9 n LYS 71 Ca -0.30 0.30 0.18 0.00 -2.87 0.00 0.00 58.31 55.63 1xl9 n LYS 71 Cb 0.68 -4.67 1.05 0.00 -1.84 0.00 0.00 35.03 30.25 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 -1.87 1.97 3.08 -1.71 -3.44 114.38 112.40 1xl9 h ARG 72 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xl9 h ARG 72 Cb 0.61 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.44 1xl9 h ARG 72 CO 0.00 0.00 0.25 0.54 -1.07 0.00 0.00 179.97 179.69 1xl9 s VAL 73 N -4.43 0.00 0.49 2.04 0.11 -1.26 -5.07 120.40 112.28 1xl9 s VAL 73 Ca -0.05 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.78 1xl9 s VAL 73 Cb 0.14 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.93 1xl9 s VAL 73 CO 0.49 0.00 1.19 -2.84 -3.33 0.00 0.00 175.10 170.61 1xl9 s PRO 74 N -0.04 3.57 -0.17 1.54 0.02 -1.26 -4.86 135.00 133.80 1xl9 s PRO 74 Ca -0.01 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1xl9 s PRO 74 Cb -0.04 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1xl9 s PRO 74 CO 0.01 -0.72 -0.15 0.08 -0.33 0.00 0.00 177.00 175.88 1xl9 s VAL 75 N -1.55 2.54 -0.16 3.83 1.01 -1.26 -1.11 120.40 123.70 1xl9 s VAL 75 Ca 0.67 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1xl9 s VAL 75 Cb -0.30 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1xl9 s VAL 75 CO 0.35 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 175.15 1xl9 s ILE 76 N 1.06 2.30 -0.24 2.22 1.01 0.14 -1.60 121.20 126.10 1xl9 s ILE 76 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1xl9 s ILE 76 Cb -0.14 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1xl9 s ILE 76 CO -0.05 0.53 0.14 0.00 0.00 0.00 0.00 174.94 175.56 1xl9 s ALA 77 N 0.99 3.53 -1.24 9.38 0.00 -0.70 0.11 121.76 133.82 1xl9 s ALA 77 Ca -0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1xl9 s ALA 77 Cb -0.15 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 1xl9 s ALA 77 CO -0.05 -0.21 1.90 0.41 0.00 0.00 0.00 175.76 177.81 1xl9 n GLY 78 N 4.33 2.50 0.11 0.00 0.00 -0.83 -0.61 105.19 110.69 1xl9 n GLY 78 Ca -0.15 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.68 1xl9 n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xl9 h THR 79 N 5.33 0.15 -3.55 2.61 1.35 -1.84 -3.44 112.91 113.52 1xl9 h THR 79 Ca 0.41 -1.29 -0.52 0.00 -0.55 0.00 0.00 66.41 64.46 1xl9 h THR 79 Cb 0.83 1.68 0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1xl9 h THR 79 CO 1.53 0.09 0.50 -0.83 -0.25 0.00 0.00 175.52 176.55 1xl9 s GLY 80 N -4.48 2.81 0.21 5.82 0.00 -1.17 -4.55 107.32 105.96 1xl9 s GLY 80 Ca -0.01 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.58 1xl9 s GLY 80 CO 0.79 1.70 0.04 -1.14 0.00 0.00 0.00 173.10 174.49 1xl9 n SER 81 N 2.35 1.78 0.00 1.64 3.41 -1.26 -4.38 113.62 117.16 1xl9 n SER 81 Ca 0.03 -2.04 0.09 0.00 -0.26 0.00 0.00 58.87 56.69 1xl9 n SER 81 Cb 0.46 0.35 0.53 0.00 -0.26 0.00 0.00 64.21 65.28 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 -1.51 0.00 -4.26 4.04 2.04 -1.26 -4.52 115.26 109.79 1xl9 n ASN 82 Ca -0.06 -0.31 -0.35 0.00 -0.44 0.00 0.00 54.58 53.42 1xl9 n ASN 82 Cb 0.30 -0.14 -0.14 0.00 -2.53 0.00 0.00 39.78 37.27 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 -2.27 4.41 0.01 0.53 3.84 -1.26 -4.89 114.94 115.30 1xl9 s ASN 83 Ca 0.24 -0.66 -0.25 0.00 0.21 0.00 0.00 52.86 52.39 1xl9 s ASN 83 Cb 0.13 -1.72 -0.19 0.00 -0.55 0.00 0.00 41.25 38.92 1xl9 s ASN 83 CO 0.25 -0.10 1.39 0.74 -2.79 0.00 0.00 177.10 176.60 1xl9 h THR 84 N 5.93 1.24 -0.51 -5.21 2.02 -1.97 -0.75 112.91 113.67 1xl9 h THR 84 Ca -0.36 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 1xl9 h THR 84 Cb 1.13 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1xl9 h THR 84 CO 0.59 0.20 0.13 0.45 0.37 0.00 0.00 175.52 177.27 1xl9 h HIS 85 N -0.38 0.78 -0.17 3.16 3.86 -1.98 0.24 115.15 120.67 1xl9 h HIS 85 Ca -0.00 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 1xl9 h HIS 85 Cb 0.36 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1xl9 h HIS 85 CO 0.04 0.66 -0.38 0.00 0.86 0.00 0.00 177.93 179.11 1xl9 h ALA 86 N 1.40 1.03 -0.48 2.45 0.00 -1.96 -1.27 119.26 120.43 1xl9 h ALA 86 Ca 0.17 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1xl9 h ALA 86 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xl9 h ALA 86 CO -0.00 0.60 0.01 0.77 0.00 0.00 0.00 179.25 180.62 1xl9 h SER 87 N 0.32 0.83 -0.10 0.00 0.02 -0.11 -1.14 113.55 113.36 1xl9 h SER 87 Ca 0.03 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1xl9 h SER 87 Cb 0.81 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 1xl9 h SER 87 CO 0.07 0.93 -0.27 0.40 -1.14 0.00 0.00 176.83 176.82 1xl9 h ILE 88 N 0.70 0.38 -0.17 3.27 2.04 -0.75 -1.66 117.51 121.33 1xl9 h ILE 88 Ca 0.14 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1xl9 h ILE 88 Cb 0.50 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1xl9 h ILE 88 CO 0.02 0.00 -0.06 0.44 0.00 0.00 0.00 178.15 178.56 1xl9 h ASP 89 N -0.35 -0.20 -0.79 1.72 3.45 -1.00 -1.83 116.42 117.42 1xl9 h ASP 89 Ca 0.09 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.58 1xl9 h ASP 89 Cb 0.49 0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.34 1xl9 h ASP 89 CO -0.30 -0.08 0.38 0.25 -1.57 0.00 0.00 179.24 177.92 1xl9 h LEU 90 N -0.03 1.04 -1.11 1.55 5.85 -1.21 -1.57 115.31 119.83 1xl9 h LEU 90 Ca 0.09 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1xl9 h LEU 90 Cb 0.15 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1xl9 h LEU 90 CO -0.19 0.88 0.61 0.74 -0.34 0.00 0.00 178.44 180.14 1xl9 h THR 91 N 1.12 1.11 -0.11 1.05 2.02 -0.94 -1.04 112.91 116.11 1xl9 h THR 91 Ca 0.27 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1xl9 h THR 91 Cb 0.12 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1xl9 h THR 91 CO -0.03 0.20 -0.05 0.11 0.37 0.00 0.00 175.52 176.12 1xl9 h LYS 92 N 1.11 0.24 -0.36 6.66 1.57 -0.48 -0.90 116.57 124.40 1xl9 h LYS 92 Ca 0.39 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 59.15 1xl9 h LYS 92 Cb 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1xl9 h LYS 92 CO -0.14 0.58 0.25 0.87 -0.57 0.00 0.00 179.45 180.45 1xl9 h LYS 93 N -0.11 0.12 0.20 3.15 1.57 -0.95 -0.70 116.57 119.85 1xl9 h LYS 93 Ca 0.03 -0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 1xl9 h LYS 93 Cb 0.51 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.81 1xl9 h LYS 93 CO 0.02 0.08 -1.59 0.00 -0.57 0.00 0.00 179.45 177.39 1xl9 h ALA 94 N 1.82 0.03 -0.77 3.86 0.00 -1.03 -2.99 119.26 120.18 1xl9 h ALA 94 Ca 0.17 -1.02 0.17 0.00 0.00 0.00 0.00 54.91 54.23 1xl9 h ALA 94 Cb 0.51 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1xl9 h ALA 94 CO -0.02 0.86 0.20 1.15 0.00 0.00 0.00 179.25 181.44 1xl9 h THR 95 N 0.06 0.48 0.00 0.00 2.02 -0.41 -2.29 112.91 112.78 1xl9 h THR 95 Ca -0.30 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1xl9 h THR 95 Cb 2.08 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1xl9 h THR 95 CO 0.20 0.05 -0.13 -0.33 0.37 0.00 0.00 175.52 175.68 1xl9 h GLU 96 N 0.28 0.00 -0.60 6.66 4.39 -1.13 -2.77 114.58 121.40 1xl9 h GLU 96 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1xl9 h GLU 96 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1xl9 h GLU 96 CO -0.53 0.13 0.00 1.33 -1.16 0.00 0.00 179.01 178.78 1xl9 n VAL 97 N -3.25 1.20 -0.45 3.13 0.24 -0.87 -4.95 118.33 113.39 1xl9 n VAL 97 Ca 0.01 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1xl9 n VAL 97 Cb 0.41 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.00 0.76 3.64 7.63 0.00 -1.05 -4.63 105.19 112.54 1xl9 n GLY 98 Ca 0.19 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 2.23 -0.18 1.61 -7.23 -1.20 -4.98 120.40 108.65 1xl9 s VAL 99 Ca 0.00 0.07 0.19 0.00 -1.81 0.00 0.00 61.98 60.43 1xl9 s VAL 99 Cb 0.00 -2.19 -0.26 0.00 0.56 0.00 0.00 36.38 34.48 1xl9 s VAL 99 CO 0.00 -0.10 0.12 0.47 -0.31 0.00 0.00 175.10 175.29 1xl9 n ASP 100 N -4.33 0.00 -3.85 4.85 9.92 -0.63 -4.88 116.55 117.63 1xl9 n ASP 100 Ca 0.09 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.27 1xl9 n ASP 100 Cb 0.53 1.13 -0.03 0.00 -0.64 0.00 0.00 41.12 42.11 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 -2.62 -0.91 0.04 2.24 0.00 -0.95 -4.15 121.76 115.42 1xl9 s ALA 101 Ca -0.10 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1xl9 s ALA 101 Cb 0.07 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.07 1xl9 s ALA 101 CO 0.84 -0.99 -0.18 0.14 0.00 0.00 0.00 175.76 175.57 1xl9 s VAL 102 N -3.87 1.47 -0.12 0.00 -7.23 -0.82 -1.73 120.40 108.11 1xl9 s VAL 102 Ca 0.15 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1xl9 s VAL 102 Cb -0.04 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1xl9 s VAL 102 CO 0.08 0.14 -0.00 -0.32 -0.31 0.00 0.00 175.10 174.69 1xl9 s MET 103 N -1.15 3.29 -0.22 4.82 1.75 0.22 -0.79 119.30 127.20 1xl9 s MET 103 Ca 0.05 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1xl9 s MET 103 Cb -0.08 -2.87 0.04 0.00 2.84 0.00 0.00 34.83 34.76 1xl9 s MET 103 CO 0.02 0.53 -0.14 -0.51 -0.65 0.00 0.00 175.02 174.27 1xl9 s LEU 104 N -0.39 2.80 0.19 4.11 1.43 -0.10 -2.76 118.68 123.95 1xl9 s LEU 104 Ca 0.07 -1.06 -0.28 0.00 -1.03 0.00 0.00 54.13 51.84 1xl9 s LEU 104 Cb -0.12 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 1xl9 s LEU 104 CO 0.02 -0.12 0.86 0.54 0.23 0.00 0.00 176.35 177.88 1xl9 s VAL 105 N 1.22 4.26 -0.37 -1.59 0.11 -1.26 -2.34 120.40 120.43 1xl9 s VAL 105 Ca -0.03 1.89 -0.43 0.00 -2.93 0.00 0.00 61.98 60.48 1xl9 s VAL 105 Cb -0.17 -4.23 -0.18 0.00 -1.53 0.00 0.00 36.38 30.27 1xl9 s VAL 105 CO -0.08 0.49 1.66 0.00 -3.33 0.00 0.00 175.10 173.84 1xl9 n ALA 106 N 1.67 -0.81 -1.63 1.54 0.00 -1.09 -4.68 120.51 115.52 1xl9 n ALA 106 Ca -0.03 0.44 -0.51 0.00 0.00 0.00 0.00 53.44 53.34 1xl9 n ALA 106 Cb 0.48 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 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 4.63 1.45 -2.96 0.00 -0.02 -1.26 -4.80 135.00 132.03 1xl9 n PRO 107 Ca 0.28 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 1xl9 n PRO 107 Cb 0.04 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.22 3.10 0.00 6.00 1.13 -1.26 -4.44 117.35 123.09 1xl9 s TYR 108 Ca 0.85 0.08 0.00 0.00 -1.41 0.00 0.00 57.07 56.60 1xl9 s TYR 108 Cb -0.89 -2.38 0.00 0.00 -1.10 0.00 0.00 41.96 37.59 1xl9 s TYR 108 CO 0.47 -0.44 0.00 0.98 -2.51 0.00 0.00 175.55 174.05 1xl9 n TYR 109 N -2.08 0.00 1.09 -3.49 9.36 -1.26 -4.30 117.16 116.48 1xl9 n TYR 109 Ca 0.03 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.39 1xl9 n TYR 109 Cb 0.58 0.00 0.51 0.00 -0.63 0.00 0.00 39.34 39.80 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 0.98 0.24 -3.44 2.98 0.23 -1.26 -5.01 115.26 109.97 1xl9 n ASN 110 Ca 0.00 0.06 -0.19 0.00 -0.53 0.00 0.00 54.58 53.92 1xl9 n ASN 110 Cb 0.00 -0.19 0.03 0.00 -2.08 0.00 0.00 39.78 37.54 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 -1.40 -1.48 -1.33 -3.83 5.02 -1.26 -4.99 118.16 108.89 1xl9 n LYS 111 Ca 0.08 0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 56.94 1xl9 n LYS 111 Cb 0.32 -4.63 0.11 0.00 -0.02 0.00 0.00 35.03 30.82 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 -4.70 1.73 0.77 1.97 0.04 -1.26 -5.06 135.00 128.49 1xl9 s PRO 112 Ca 0.27 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 1xl9 s PRO 112 Cb -0.08 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.76 1xl9 s PRO 112 CO 0.81 -1.92 1.05 -1.13 0.04 0.00 0.00 177.00 175.86 1xl9 n SER 113 N -3.66 0.86 -0.02 6.66 3.41 -1.26 -4.83 113.62 114.78 1xl9 n SER 113 Ca 0.07 -1.86 -0.09 0.00 -0.26 0.00 0.00 58.87 56.74 1xl9 n SER 113 Cb 0.55 -0.73 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1xl9 n SER 113 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1xl9 h GLN 114 N 0.00 0.62 -0.13 4.33 1.08 -1.97 0.15 115.11 119.18 1xl9 h GLN 114 Ca -0.34 -0.34 -0.22 0.00 -1.45 0.00 0.00 58.65 56.30 1xl9 h GLN 114 Cb 1.14 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1xl9 h GLN 114 CO 0.32 0.94 -0.78 1.49 -0.95 0.00 0.00 178.83 179.86 1xl9 h GLU 115 N 0.50 0.71 -0.53 1.46 4.57 -1.98 0.56 114.58 119.87 1xl9 h GLU 115 Ca 0.03 -0.58 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 1xl9 h GLU 115 Cb 0.98 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1xl9 h GLU 115 CO 0.09 1.19 0.24 0.78 -1.18 0.00 0.00 179.01 180.13 1xl9 h GLY 116 N 0.72 0.84 0.98 1.92 0.00 -1.92 -1.52 103.07 104.09 1xl9 h GLY 116 Ca -0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1xl9 h GLY 116 CO 0.15 0.41 0.11 -0.33 0.00 0.00 0.00 176.54 176.89 1xl9 h MET 117 N 0.72 0.83 -0.58 4.80 2.86 -0.92 -1.76 114.93 120.88 1xl9 h MET 117 Ca 0.18 -0.21 0.12 0.00 -2.06 0.00 0.00 59.70 57.73 1xl9 h MET 117 Cb 0.15 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.62 1xl9 h MET 117 CO -0.02 0.80 0.02 -0.92 1.06 0.00 0.00 176.91 177.86 1xl9 h TYR 118 N 0.72 0.01 0.00 -0.22 3.20 -0.72 -1.67 116.97 118.28 1xl9 h TYR 118 Ca 0.16 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1xl9 h TYR 118 Cb 0.35 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1xl9 h TYR 118 CO 0.02 -0.13 -0.53 1.96 -1.64 0.00 0.00 178.16 177.85 1xl9 h GLN 119 N 0.14 0.00 0.58 1.82 1.08 -1.15 -1.47 115.11 116.11 1xl9 h GLN 119 Ca 0.30 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1xl9 h GLN 119 Cb 0.47 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1xl9 h GLN 119 CO -0.47 0.53 -0.28 1.25 -0.95 0.00 0.00 178.83 178.90 1xl9 h HIS 120 N 0.00 -0.73 -0.27 2.96 -0.00 -0.90 -1.97 115.15 114.24 1xl9 h HIS 120 Ca -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1xl9 h HIS 120 Cb 1.04 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.68 1xl9 h HIS 120 CO 0.00 -0.45 0.14 0.74 -0.00 0.00 0.00 177.93 178.36 1xl9 h PHE 121 N -0.81 0.37 -0.71 5.26 0.04 -1.33 -2.46 116.94 117.30 1xl9 h PHE 121 Ca -0.08 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.84 1xl9 h PHE 121 Cb 0.60 -0.12 -0.13 0.00 2.20 0.00 0.00 35.95 38.51 1xl9 h PHE 121 CO 0.09 0.31 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.85 1xl9 h LYS 122 N 0.31 0.07 -0.12 1.51 3.64 -1.34 0.32 116.57 120.97 1xl9 h LYS 122 Ca 0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1xl9 h LYS 122 Cb 0.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xl9 h LYS 122 CO -0.01 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 1xl9 h ALA 123 N 1.68 0.16 -0.57 5.00 0.00 -0.95 0.25 119.26 124.82 1xl9 h ALA 123 Ca 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xl9 h ALA 123 Cb 0.63 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1xl9 h ALA 123 CO -0.66 -0.16 0.32 0.82 0.00 0.00 0.00 179.25 179.58 1xl9 h ILE 124 N -0.06 1.18 -0.53 0.00 2.04 -1.28 -2.51 117.51 116.35 1xl9 h ILE 124 Ca 0.03 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1xl9 h ILE 124 Cb 0.35 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1xl9 h ILE 124 CO 0.01 0.19 0.11 0.00 0.00 0.00 0.00 178.15 178.46 1xl9 h ALA 125 N 1.15 1.21 0.00 1.87 0.00 -0.51 -2.38 119.26 120.60 1xl9 h ALA 125 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xl9 h ALA 125 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xl9 h ALA 125 CO -0.03 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1xl9 n GLU 126 N -4.27 0.04 0.02 0.00 -0.58 0.84 -3.11 120.64 113.58 1xl9 n GLU 126 Ca 0.04 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 1xl9 n GLU 126 Cb 0.23 -1.57 0.22 0.00 -0.57 0.00 0.00 31.44 29.75 1xl9 n GLU 126 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xl9 n SER 127 N -1.65 0.55 -4.08 1.62 3.41 -0.90 -4.93 113.62 107.64 1xl9 n SER 127 Ca 0.05 -0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.34 1xl9 n SER 127 Cb 0.26 0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 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 -3.05 0.73 -0.89 6.66 -1.32 -1.18 -4.95 115.64 111.63 1xl9 s THR 128 Ca 0.09 -1.00 0.27 0.00 -1.21 0.00 0.00 61.69 59.84 1xl9 s THR 128 Cb 0.16 -0.73 0.17 0.00 -1.51 0.00 0.00 72.50 70.59 1xl9 s THR 128 CO 0.71 -0.23 1.68 -0.81 -2.21 0.00 0.00 174.62 173.77 1xl9 n PRO 129 N 1.69 0.10 -1.86 7.08 -0.04 -1.26 -4.93 135.00 135.77 1xl9 n PRO 129 Ca -0.20 0.06 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 1xl9 n PRO 129 Cb 0.55 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -3.50 3.87 0.43 1.53 1.02 -1.26 -4.99 118.68 115.78 1xl9 s LEU 130 Ca 0.11 2.69 -0.25 0.00 0.02 0.00 0.00 54.13 56.71 1xl9 s LEU 130 Cb 0.16 -4.27 -0.10 0.00 0.02 0.00 0.00 46.19 42.01 1xl9 s LEU 130 CO 0.61 -1.47 1.20 -2.65 0.02 0.00 0.00 176.35 174.06 1xl9 n PRO 131 N -0.95 1.74 -4.74 1.29 -0.02 -1.26 -4.89 135.00 126.17 1xl9 n PRO 131 Ca 0.10 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 1xl9 n PRO 131 Cb 0.45 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 1xl9 n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xl9 s VAL 132 N -1.22 1.99 -0.17 -1.45 1.01 0.17 -1.95 120.40 118.78 1xl9 s VAL 132 Ca 0.62 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1xl9 s VAL 132 Cb -0.52 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1xl9 s VAL 132 CO 0.57 0.54 0.03 -0.32 0.00 0.00 0.00 175.10 175.92 1xl9 s MET 133 N 0.75 3.84 0.87 2.72 1.75 0.03 -2.02 119.30 127.24 1xl9 s MET 133 Ca -0.09 -0.39 -0.12 0.00 -1.25 0.00 0.00 55.69 53.84 1xl9 s MET 133 Cb -0.16 -3.11 0.12 0.00 2.84 0.00 0.00 34.83 34.52 1xl9 s MET 133 CO -0.00 0.29 1.15 -0.51 -0.65 0.00 0.00 175.02 175.30 1xl9 s LEU 134 N 0.28 2.19 -0.31 4.11 1.02 -0.43 -0.92 118.68 124.62 1xl9 s LEU 134 Ca 0.02 0.94 0.03 0.00 0.02 0.00 0.00 54.13 55.13 1xl9 s LEU 134 Cb -0.13 -3.33 0.16 0.00 0.02 0.00 0.00 46.19 42.92 1xl9 s LEU 134 CO 0.01 -2.33 0.42 -0.47 0.02 0.00 0.00 176.35 174.01 1xl9 s TYR 135 N -3.35 -1.00 -0.24 0.29 5.04 -0.99 -1.17 117.35 115.92 1xl9 s TYR 135 Ca 0.63 0.22 -0.19 0.00 -2.44 0.00 0.00 57.07 55.29 1xl9 s TYR 135 Cb -0.14 -0.14 -0.03 0.00 0.35 0.00 0.00 41.96 42.01 1xl9 s TYR 135 CO 0.52 -1.00 0.56 1.21 -1.34 0.00 0.00 175.55 175.50 1xl9 s ASN 136 N 2.39 6.53 -0.44 4.32 2.47 0.72 -2.65 114.94 128.28 1xl9 s ASN 136 Ca 0.11 0.64 0.07 0.00 0.42 0.00 0.00 52.86 54.10 1xl9 s ASN 136 Cb -0.12 -2.30 0.27 0.00 -1.45 0.00 0.00 41.25 37.64 1xl9 s ASN 136 CO -0.26 -0.28 0.78 0.55 -3.72 0.00 0.00 177.10 174.17 1xl9 n VAL 137 N 4.98 -0.25 0.08 -5.21 3.14 -1.26 -1.05 118.33 118.76 1xl9 n VAL 137 Ca -0.03 -2.64 0.20 0.00 -2.96 0.00 0.00 64.34 58.91 1xl9 n VAL 137 Cb 0.50 0.18 0.75 0.00 -1.06 0.00 0.00 33.84 34.21 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 3.76 0.00 0.00 1.45 0.13 -1.83 0.24 132.00 135.75 1xl9 h PRO 138 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1xl9 h PRO 138 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xl9 h PRO 138 CO 0.36 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 1xl9 n GLY 139 N -1.51 -1.41 0.03 1.56 0.00 -1.26 -0.19 105.19 102.41 1xl9 n GLY 139 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.96 1.42 0.01 1.61 1.74 -0.51 -4.83 116.66 114.13 1xl9 n ARG 140 Ca 0.04 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.25 1xl9 n ARG 140 Cb 0.30 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.49 0.71 0.00 0.55 7.64 0.73 -4.80 113.62 115.95 1xl9 n SER 141 Ca -0.11 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1xl9 n SER 141 Cb 0.65 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 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 -1.70 0.00 -1.80 0.44 5.41 0.73 -4.42 119.36 118.02 1xl9 n ILE 142 Ca 0.03 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.43 1xl9 n ILE 142 Cb 0.38 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.37 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 2.58 -0.06 1.39 -7.23 -1.26 -4.68 120.40 111.14 1xl9 s VAL 143 Ca 0.00 0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 60.46 1xl9 s VAL 143 Cb 0.00 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 1xl9 s VAL 143 CO 0.00 -0.11 0.12 -1.10 -0.31 0.00 0.00 175.10 173.70 1xl9 s GLN 144 N -3.59 3.30 -0.24 4.82 -1.52 -1.26 -3.57 119.66 117.59 1xl9 s GLN 144 Ca 0.76 -0.30 -0.29 0.00 -1.95 0.00 0.00 55.36 53.58 1xl9 s GLN 144 Cb -0.29 -3.04 -0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1xl9 s GLN 144 CO 0.38 0.71 1.23 0.42 -0.25 0.00 0.00 175.29 177.78 1xl9 s ILE 145 N -1.13 4.29 0.63 1.08 1.01 -1.26 -4.94 121.20 120.88 1xl9 s ILE 145 Ca 0.20 1.52 -0.15 0.00 0.00 0.00 0.00 60.65 62.21 1xl9 s ILE 145 Cb -0.12 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1xl9 s ILE 145 CO 0.10 -0.32 1.10 -0.94 0.00 0.00 0.00 174.94 174.88 1xl9 s SER 146 N 2.19 5.34 0.25 3.58 1.04 -1.26 -4.76 113.70 120.09 1xl9 s SER 146 Ca 0.53 1.95 -0.03 0.00 0.48 0.00 0.00 55.95 58.89 1xl9 s SER 146 Cb -0.18 -2.55 0.50 0.00 0.10 0.00 0.00 66.02 63.90 1xl9 s SER 146 CO 0.17 -1.47 1.73 0.58 0.98 0.00 0.00 173.24 175.23 1xl9 h VAL 147 N 0.20 0.63 -0.26 5.02 2.07 -1.95 0.11 116.25 122.08 1xl9 h VAL 147 Ca -0.47 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 1xl9 h VAL 147 Cb 1.24 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xl9 h VAL 147 CO 0.55 0.08 -0.35 0.44 0.02 0.00 0.00 177.57 178.31 1xl9 h ASP 148 N 0.45 0.59 0.01 0.57 3.32 -1.99 0.11 116.42 119.48 1xl9 h ASP 148 Ca 0.44 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1xl9 h ASP 148 Cb 0.69 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xl9 h ASP 148 CO -0.42 0.90 -0.00 0.74 -1.72 0.00 0.00 179.24 178.73 1xl9 h THR 149 N 0.48 1.15 -0.83 0.35 2.02 -1.61 -1.20 112.91 113.27 1xl9 h THR 149 Ca 0.05 -0.49 0.16 0.00 0.77 0.00 0.00 66.41 66.91 1xl9 h THR 149 Cb 0.84 1.49 -0.10 0.00 -1.74 0.00 0.00 68.15 68.63 1xl9 h THR 149 CO 0.07 0.13 0.38 0.58 0.37 0.00 0.00 175.52 177.05 1xl9 h VAL 150 N -0.22 0.64 -0.11 3.16 2.07 -0.66 0.75 116.25 121.87 1xl9 h VAL 150 Ca -0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1xl9 h VAL 150 Cb 0.22 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1xl9 h VAL 150 CO 0.00 0.09 0.01 0.58 0.02 0.00 0.00 177.57 178.28 1xl9 h VAL 151 N 0.51 1.23 -0.09 2.57 2.07 -0.42 -0.38 116.25 121.74 1xl9 h VAL 151 Ca 0.47 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1xl9 h VAL 151 Cb 0.75 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1xl9 h VAL 151 CO -0.42 0.21 -0.14 0.03 0.02 0.00 0.00 177.57 177.27 1xl9 h ARG 152 N -0.05 -0.19 -0.88 1.57 3.08 -0.81 -1.64 114.38 115.46 1xl9 h ARG 152 Ca 0.03 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.17 1xl9 h ARG 152 Cb 0.31 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1xl9 h ARG 152 CO 0.00 -0.12 0.57 -0.07 -1.07 0.00 0.00 179.97 179.28 1xl9 h LEU 153 N -0.19 0.84 -1.73 3.04 3.38 -0.82 -2.04 115.31 117.79 1xl9 h LEU 153 Ca 0.08 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1xl9 h LEU 153 Cb 0.30 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1xl9 h LEU 153 CO -0.20 0.52 0.51 0.77 0.09 0.00 0.00 178.44 180.14 1xl9 h SER 154 N 0.95 0.24 0.20 -0.43 4.64 -0.06 -1.62 113.55 117.48 1xl9 h SER 154 Ca 0.39 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1xl9 h SER 154 Cb 0.28 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xl9 h SER 154 CO -0.15 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.30 1xl9 n GLU 155 N -4.43 0.24 -3.05 4.77 1.02 -0.76 -4.63 120.64 113.80 1xl9 n GLU 155 Ca 0.15 0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 57.01 1xl9 n GLU 155 Cb 0.64 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 1xl9 n GLU 155 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xl9 s ILE 156 N -2.45 4.99 0.27 -3.67 1.01 -0.61 -4.97 121.20 115.77 1xl9 s ILE 156 Ca 0.15 1.34 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 1xl9 s ILE 156 Cb 0.09 -4.01 0.26 0.00 0.01 0.00 0.00 42.46 38.81 1xl9 s ILE 156 CO 0.20 0.12 1.72 -0.33 0.00 0.00 0.00 174.94 176.65 1xl9 h GLU 157 N 7.27 0.44 -0.45 2.79 5.08 -1.88 -0.74 114.58 127.10 1xl9 h GLU 157 Ca -0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1xl9 h GLU 157 Cb 1.15 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1xl9 h GLU 157 CO 0.79 0.29 0.00 0.27 -1.00 0.00 0.00 179.01 179.36 1xl9 n ASN 158 N -5.00 2.91 -4.34 1.42 6.94 -1.26 -4.63 115.26 111.30 1xl9 n ASN 158 Ca 0.18 -1.95 -0.46 0.00 -0.02 0.00 0.00 54.58 52.34 1xl9 n ASN 158 Cb 0.52 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.41 5.14 -0.51 1.53 1.01 -0.28 0.45 121.20 127.13 1xl9 s ILE 159 Ca 0.37 -1.54 0.10 0.00 0.00 0.00 0.00 60.65 59.58 1xl9 s ILE 159 Cb 0.20 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1xl9 s ILE 159 CO 0.28 -1.02 0.44 1.33 0.00 0.00 0.00 174.94 175.97 1xl9 n VAL 160 N 5.10 0.00 -3.82 2.92 0.24 -0.86 -4.64 118.33 117.28 1xl9 n VAL 160 Ca -0.05 -0.29 -0.06 0.00 -2.04 0.00 0.00 64.34 61.91 1xl9 n VAL 160 Cb 0.43 1.02 -0.00 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 -1.84 -1.32 -0.08 2.33 0.00 -1.22 -1.62 121.76 118.00 1xl9 s ALA 161 Ca 0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 1xl9 s ALA 161 Cb 0.07 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1xl9 s ALA 161 CO 0.38 -1.03 0.24 -1.50 0.00 0.00 0.00 175.76 173.84 1xl9 s ILE 162 N -3.06 0.01 -0.37 0.00 2.07 -0.74 -1.32 121.20 117.79 1xl9 s ILE 162 Ca 0.14 -0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.20 1xl9 s ILE 162 Cb -0.04 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.20 1xl9 s ILE 162 CO 0.06 -0.02 0.27 -0.75 -1.91 0.00 0.00 174.94 172.59 1xl9 s LYS 163 N 0.02 3.24 -0.71 3.50 2.20 -0.32 -0.71 119.74 126.97 1xl9 s LYS 163 Ca -0.01 -0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 54.66 1xl9 s LYS 163 Cb -0.02 -3.89 0.18 0.00 -1.51 0.00 0.00 37.83 32.60 1xl9 s LYS 163 CO 0.00 -0.59 0.61 0.34 -0.36 0.00 0.00 175.35 175.35 1xl9 s ASP 164 N 1.70 6.19 -0.06 1.43 -1.08 -0.27 -0.20 116.67 124.39 1xl9 s ASP 164 Ca 0.06 -2.55 0.02 0.00 -0.52 0.00 0.00 52.55 49.55 1xl9 s ASP 164 Cb -0.18 -2.10 0.13 0.00 -1.46 0.00 0.00 42.92 39.32 1xl9 s ASP 164 CO 0.10 -0.56 0.90 0.00 0.52 0.00 0.00 175.17 176.13 1xl9 n ALA 165 N 4.09 2.87 0.29 3.66 0.00 -0.21 -1.00 120.51 130.20 1xl9 n ALA 165 Ca 0.07 -0.41 0.16 0.00 0.00 0.00 0.00 53.44 53.27 1xl9 n ALA 165 Cb 0.43 -1.05 0.63 0.00 0.00 0.00 0.00 19.45 19.47 1xl9 n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xl9 h GLY 166 N 4.28 0.00 0.00 0.00 0.00 -1.90 -3.43 103.07 102.02 1xl9 h GLY 166 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xl9 h GLY 166 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1xl9 n GLY 167 N 0.13 0.61 2.59 4.60 0.00 -1.26 -4.98 105.19 106.89 1xl9 n GLY 167 Ca 0.01 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 2.86 0.20 1.61 -1.08 -1.26 -5.01 116.67 111.72 1xl9 s ASP 168 Ca 0.00 -0.95 0.25 0.00 -0.52 0.00 0.00 52.55 51.33 1xl9 s ASP 168 Cb 0.00 -0.20 0.89 0.00 -1.46 0.00 0.00 42.92 42.15 1xl9 s ASP 168 CO 0.00 -0.40 1.75 1.33 0.52 0.00 0.00 175.17 178.38 1xl9 n VAL 169 N 5.27 0.65 0.07 1.11 0.24 -1.26 -2.58 118.33 121.83 1xl9 n VAL 169 Ca -0.06 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 1xl9 n VAL 169 Cb 0.45 -0.80 0.03 0.00 -1.47 0.00 0.00 33.84 32.05 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 0.36 -0.13 1.34 3.38 -1.98 -0.48 115.31 117.79 1xl9 h LEU 170 Ca 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1xl9 h LEU 170 Cb 0.57 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xl9 h LEU 170 CO 0.00 1.00 -0.11 0.74 0.09 0.00 0.00 178.44 180.16 1xl9 h THR 171 N 0.19 1.34 -0.37 0.22 2.02 -1.94 -2.17 112.91 112.20 1xl9 h THR 171 Ca -0.04 -1.24 0.07 0.00 0.77 0.00 0.00 66.41 65.98 1xl9 h THR 171 Cb 1.36 1.87 -0.07 0.00 -1.74 0.00 0.00 68.15 69.57 1xl9 h THR 171 CO 0.13 0.36 -0.07 0.24 0.37 0.00 0.00 175.52 176.54 1xl9 h MET 172 N -0.06 0.02 -0.46 6.66 2.86 -1.51 -0.70 114.93 121.73 1xl9 h MET 172 Ca 0.02 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1xl9 h MET 172 Cb 0.62 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1xl9 h MET 172 CO 0.03 0.01 0.31 0.00 1.06 0.00 0.00 176.91 178.32 1xl9 h THR 173 N 0.02 1.05 -0.31 2.22 1.03 -0.96 -0.34 112.91 115.62 1xl9 h THR 173 Ca 0.18 -0.18 -0.17 0.00 -0.01 0.00 0.00 66.41 66.23 1xl9 h THR 173 Cb 0.27 0.48 -0.00 0.00 -1.07 0.00 0.00 68.15 67.83 1xl9 h THR 173 CO -0.37 0.09 -0.45 -0.08 -0.01 0.00 0.00 175.52 174.71 1xl9 h GLU 174 N 0.52 0.86 -0.17 0.00 4.81 -0.66 -1.92 114.58 118.01 1xl9 h GLU 174 Ca 0.19 -0.51 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1xl9 h GLU 174 Cb 0.10 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1xl9 h GLU 174 CO -0.05 1.14 0.07 0.82 -0.73 0.00 0.00 179.01 180.27 1xl9 h ILE 175 N 0.64 0.97 0.04 2.32 2.04 -0.56 -1.36 117.51 121.60 1xl9 h ILE 175 Ca 0.03 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1xl9 h ILE 175 Cb 1.06 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1xl9 h ILE 175 CO 0.11 0.03 -0.26 0.40 0.00 0.00 0.00 178.15 178.42 1xl9 h ILE 176 N 0.16 0.41 -0.00 -0.67 2.04 -1.00 -0.50 117.51 117.95 1xl9 h ILE 176 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1xl9 h ILE 176 Cb 0.04 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1xl9 h ILE 176 CO -0.07 0.00 -0.21 -0.08 0.00 0.00 0.00 178.15 177.79 1xl9 h GLU 177 N -0.43 -0.33 0.00 2.37 4.81 -1.30 -3.18 114.58 116.53 1xl9 h GLU 177 Ca 0.05 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xl9 h GLU 177 Cb 0.49 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1xl9 h GLU 177 CO -0.20 -0.22 -0.09 0.87 -0.73 0.00 0.00 179.01 178.64 1xl9 h LYS 178 N -0.34 0.00 -6.34 1.92 1.57 -1.08 -3.44 116.57 108.85 1xl9 h LYS 178 Ca 0.06 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.30 1xl9 h LYS 178 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1xl9 h LYS 178 CO -0.20 0.00 -0.23 0.95 -0.57 0.00 0.00 179.45 179.41 1xl9 s THR 179 N -3.13 5.09 1.09 -0.16 -4.23 -0.21 -5.01 115.64 109.08 1xl9 s THR 179 Ca 0.09 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1xl9 s THR 179 Cb 0.11 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 70.49 1xl9 s THR 179 CO 0.63 -0.18 1.01 0.00 -0.54 0.00 0.00 174.62 175.53 1xl9 n ALA 180 N -0.56 -2.30 0.25 3.99 0.00 -1.26 -4.87 120.51 115.75 1xl9 n ALA 180 Ca -0.02 -0.98 0.12 0.00 0.00 0.00 0.00 53.44 52.55 1xl9 n ALA 180 Cb 0.53 -2.04 0.66 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.40 0.00 -0.26 0.00 5.19 -1.96 -2.47 116.42 114.51 1xl9 h ASP 181 Ca -0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1xl9 h ASP 181 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1xl9 h ASP 181 CO 0.46 0.15 0.00 -0.90 -3.12 0.00 0.00 179.24 175.83 1xl9 n ASP 182 N -3.63 2.03 -4.54 6.45 5.75 -1.26 -4.66 116.55 116.69 1xl9 n ASP 182 Ca -0.01 -1.83 -0.40 0.00 -0.01 0.00 0.00 54.79 52.54 1xl9 n ASP 182 Cb 0.28 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.66 3.22 -0.10 2.11 5.36 -0.93 -4.85 117.98 121.13 1xl9 s PHE 183 Ca 0.32 -0.06 -0.19 0.00 -0.96 0.00 0.00 56.93 56.04 1xl9 s PHE 183 Cb 0.17 -2.59 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1xl9 s PHE 183 CO 0.25 -0.39 0.50 0.00 -1.46 0.00 0.00 175.22 174.12 1xl9 s ALA 184 N 1.91 3.48 -0.19 11.12 0.00 -0.64 -4.91 121.76 132.54 1xl9 s ALA 184 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1xl9 s ALA 184 Cb -0.17 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1xl9 s ALA 184 CO 0.11 0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.93 1xl9 s VAL 185 N 0.47 3.42 0.05 0.00 1.01 -1.26 -1.79 120.40 122.31 1xl9 s VAL 185 Ca 0.27 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1xl9 s VAL 185 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1xl9 s VAL 185 CO 0.12 0.46 -0.07 -0.31 0.00 0.00 0.00 175.10 175.29 1xl9 s TYR 186 N 1.02 2.85 0.40 5.22 2.02 0.11 -0.50 117.35 128.46 1xl9 s TYR 186 Ca 0.00 -0.08 -0.24 0.00 -0.37 0.00 0.00 57.07 56.38 1xl9 s TYR 186 Cb -0.15 -1.54 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 1xl9 s TYR 186 CO 0.00 0.40 1.07 0.45 -1.57 0.00 0.00 175.55 175.90 1xl9 s SER 187 N -1.80 6.73 -0.04 2.29 0.15 -0.65 -1.11 113.70 119.26 1xl9 s SER 187 Ca 0.20 2.10 0.16 0.00 0.70 0.00 0.00 55.95 59.10 1xl9 s SER 187 Cb -0.11 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.10 1xl9 s SER 187 CO 0.11 -0.52 1.42 0.61 1.20 0.00 0.00 173.24 176.06 1xl9 n GLY 188 N 0.43 2.84 3.04 9.45 0.00 -0.17 -1.29 105.19 119.49 1xl9 n GLY 188 Ca 0.05 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 4.35 0.19 1.61 1.01 -1.26 -4.64 116.67 116.85 1xl9 s ASP 189 Ca 0.37 -1.42 -0.17 0.00 0.71 0.00 0.00 52.55 52.04 1xl9 s ASP 189 Cb 0.22 -1.48 0.15 0.00 1.01 0.00 0.00 42.92 42.82 1xl9 s ASP 189 CO 0.21 -0.21 1.62 0.44 0.21 0.00 0.00 175.17 177.44 1xl9 h ASP 190 N 7.80 -0.72 -1.10 0.27 3.32 -1.91 -0.56 116.42 123.52 1xl9 h ASP 190 Ca -0.18 0.18 0.31 0.00 0.02 0.00 0.00 57.03 57.36 1xl9 h ASP 190 Cb 1.04 0.41 -0.06 0.00 0.22 0.00 0.00 39.33 40.94 1xl9 h ASP 190 CO 0.46 -0.24 0.77 1.23 -1.72 0.00 0.00 179.24 179.74 1xl9 h GLY 191 N -0.09 0.31 -2.81 2.75 0.00 -1.93 -1.41 103.07 99.88 1xl9 h GLY 191 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1xl9 h GLY 191 CO -0.57 -0.04 0.00 1.04 0.00 0.00 0.00 176.54 176.97 1xl9 n LEU 192 N -4.31 4.37 -0.07 3.11 4.77 -0.22 -4.52 117.00 120.14 1xl9 n LEU 192 Ca 0.24 -2.22 -0.13 0.00 -0.03 0.00 0.00 56.01 53.87 1xl9 n LEU 192 Cb 1.11 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1xl9 n LEU 192 CO 0.36 0.54 0.57 0.74 -1.33 0.00 0.00 177.39 178.28 1xl9 h THR 193 N 2.96 1.33 0.46 -5.08 2.02 -1.31 0.86 112.91 114.15 1xl9 h THR 193 Ca 0.00 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 1xl9 h THR 193 Cb 1.53 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1xl9 h THR 193 CO 0.34 0.43 -0.22 0.25 0.37 0.00 0.00 175.52 176.68 1xl9 h LEU 194 N 0.16 -0.52 -1.50 2.58 5.85 -1.82 -1.28 115.31 118.78 1xl9 h LEU 194 Ca 0.03 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1xl9 h LEU 194 Cb 0.78 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1xl9 h LEU 194 CO 0.05 -0.21 -0.26 1.55 -0.34 0.00 0.00 178.44 179.24 1xl9 h PRO 195 N -0.85 0.00 -0.61 5.25 0.13 -1.85 -2.00 132.00 132.07 1xl9 h PRO 195 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1xl9 h PRO 195 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 1xl9 h PRO 195 CO 0.10 0.26 0.18 0.00 -0.23 0.00 0.00 178.00 178.31 1xl9 h ALA 196 N 1.74 0.81 -0.01 -0.56 0.00 -0.76 -3.12 119.26 117.36 1xl9 h ALA 196 Ca -0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1xl9 h ALA 196 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xl9 h ALA 196 CO 0.03 0.49 -0.78 0.52 0.00 0.00 0.00 179.25 179.51 1xl9 h MET 197 N 0.89 0.15 -1.00 0.00 2.86 -0.69 -1.04 114.93 116.10 1xl9 h MET 197 Ca 0.20 -0.15 0.21 0.00 -2.06 0.00 0.00 59.70 57.91 1xl9 h MET 197 Cb 0.31 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.91 1xl9 h MET 197 CO -0.00 0.86 0.62 0.00 1.06 0.00 0.00 176.91 179.44 1xl9 h ALA 198 N 1.10 1.89 -0.01 6.32 0.00 -1.32 -0.80 119.26 126.43 1xl9 h ALA 198 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xl9 h ALA 198 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xl9 h ALA 198 CO 0.11 -0.26 -0.07 1.33 0.00 0.00 0.00 179.25 180.36 1xl9 n VAL 199 N -4.71 0.00 0.00 0.00 0.24 -1.12 -4.94 118.33 107.81 1xl9 n VAL 199 Ca 0.24 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1xl9 n VAL 199 Cb 0.67 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.22 1.67 3.77 7.63 0.00 -0.31 -4.85 105.19 114.32 1xl9 n GLY 200 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 3.32 0.36 4.61 0.00 -0.42 -4.84 121.76 122.79 1xl9 s ALA 201 Ca 0.00 0.94 0.13 0.00 0.00 0.00 0.00 51.96 53.04 1xl9 s ALA 201 Cb 0.00 -3.36 0.72 0.00 0.00 0.00 0.00 23.12 20.49 1xl9 s ALA 201 CO 0.00 -0.33 1.82 -0.22 0.00 0.00 0.00 175.76 177.03 1xl9 h LYS 202 N 3.29 0.00 0.00 0.00 3.64 -1.12 -3.40 116.57 118.97 1xl9 h LYS 202 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xl9 h LYS 202 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1xl9 h LYS 202 CO 0.65 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 178.62 1xl9 n GLY 203 N -0.41 -0.81 3.00 5.01 0.00 -1.25 -4.53 105.19 106.20 1xl9 n GLY 203 Ca -0.02 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.00 0.40 -0.35 -0.61 1.10 -0.03 -1.64 121.20 116.07 1xl9 s ILE 204 Ca 0.00 -0.69 -0.09 0.00 -0.51 0.00 0.00 60.65 59.37 1xl9 s ILE 204 Cb 0.00 -0.43 0.03 0.00 0.15 0.00 0.00 42.46 42.20 1xl9 s ILE 204 CO 0.00 -0.20 0.15 -0.69 -2.11 0.00 0.00 174.94 172.09 1xl9 s VAL 205 N -0.86 4.20 0.10 4.00 1.01 -0.41 -1.75 120.40 126.69 1xl9 s VAL 205 Ca -0.06 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.11 1xl9 s VAL 205 Cb -0.07 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1xl9 s VAL 205 CO 0.00 -0.15 -0.24 -0.55 0.00 0.00 0.00 175.10 174.16 1xl9 s SER 206 N 1.49 3.48 -0.13 3.32 0.15 0.13 -4.63 113.70 117.51 1xl9 s SER 206 Ca 0.01 -0.64 -0.02 0.00 0.70 0.00 0.00 55.95 56.00 1xl9 s SER 206 Cb -0.19 -0.35 -0.07 0.00 -1.71 0.00 0.00 66.02 63.69 1xl9 s SER 206 CO 0.05 0.20 -0.14 0.52 1.20 0.00 0.00 173.24 175.07 1xl9 n VAL 207 N 1.13 0.75 0.23 4.45 0.31 -1.26 -1.25 118.33 122.68 1xl9 n VAL 207 Ca -0.17 -0.25 0.18 0.00 -0.01 0.00 0.00 64.34 64.09 1xl9 n VAL 207 Cb 0.53 -1.27 0.83 0.00 -0.91 0.00 0.00 33.84 33.02 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 -0.21 1.67 0.00 3.52 0.00 -1.96 -2.33 119.26 119.95 1xl9 h ALA 208 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xl9 h ALA 208 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xl9 h ALA 208 CO -0.12 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.39 1xl9 h SER 209 N 0.00 0.00 0.22 0.00 4.64 -1.87 -0.75 113.55 115.79 1xl9 h SER 209 Ca 0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1xl9 h SER 209 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1xl9 h SER 209 CO -0.00 0.00 -0.08 0.45 -0.87 0.00 0.00 176.83 176.33 1xl9 h HIS 210 N 0.00 0.00 0.00 4.77 3.86 -1.74 -3.07 115.15 118.97 1xl9 h HIS 210 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xl9 h HIS 210 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1xl9 h HIS 210 CO 0.00 0.08 -0.77 1.33 0.86 0.00 0.00 177.93 179.43 1xl9 n VAL 211 N -3.75 0.00 -2.18 2.45 0.24 -0.45 -4.83 118.33 109.81 1xl9 n VAL 211 Ca -0.02 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.11 1xl9 n VAL 211 Cb 0.18 -0.67 0.04 0.00 -1.47 0.00 0.00 33.84 31.92 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 -1.82 2.20 -0.21 1.34 -5.35 -0.42 -4.87 119.36 110.24 1xl9 n ILE 212 Ca 0.00 -3.84 0.00 0.00 -0.27 0.00 0.00 62.75 58.65 1xl9 n ILE 212 Cb 0.38 -0.53 0.24 0.00 -1.74 0.00 0.00 39.64 38.00 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 2.19 1.05 0.99 3.28 0.00 -1.69 -1.90 103.07 106.99 1xl9 h GLY 213 Ca 0.23 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1xl9 h GLY 213 CO 0.58 0.39 0.06 3.43 0.00 0.00 0.00 176.54 181.01 1xl9 h ASN 214 N 1.02 0.80 -0.04 0.19 2.35 -1.88 -1.55 115.58 116.46 1xl9 h ASN 214 Ca 0.27 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1xl9 h ASN 214 Cb -0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1xl9 h ASN 214 CO -0.06 0.87 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.17 1xl9 h GLU 215 N 0.70 0.31 0.06 0.81 3.07 -1.91 -2.30 114.58 115.32 1xl9 h GLU 215 Ca 0.15 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1xl9 h GLU 215 Cb 0.43 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xl9 h GLU 215 CO 0.01 0.42 -0.03 0.52 -1.40 0.00 0.00 179.01 178.53 1xl9 h MET 216 N 0.29 -0.08 -0.82 2.33 2.86 -0.94 -0.50 114.93 118.07 1xl9 h MET 216 Ca 0.06 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.90 1xl9 h MET 216 Cb 0.36 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 31.92 1xl9 h MET 216 CO 0.02 0.25 0.26 0.37 1.06 0.00 0.00 176.91 178.87 1xl9 h GLN 217 N -0.41 0.30 -0.12 1.72 4.15 -1.26 0.18 115.11 119.67 1xl9 h GLN 217 Ca -0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 1xl9 h GLN 217 Cb 0.37 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1xl9 h GLN 217 CO 0.01 0.20 -0.32 1.49 -1.93 0.00 0.00 178.83 178.28 1xl9 h GLU 218 N 0.31 0.43 -0.38 1.69 4.57 -1.35 -2.23 114.58 117.61 1xl9 h GLU 218 Ca 0.49 -0.30 0.08 0.00 -1.18 0.00 0.00 59.36 58.45 1xl9 h GLU 218 Cb 0.90 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.46 1xl9 h GLU 218 CO -0.54 0.91 -0.15 1.98 -1.18 0.00 0.00 179.01 180.03 1xl9 h MET 219 N 0.01 -0.07 -0.66 1.92 4.05 -0.58 -1.60 114.93 117.99 1xl9 h MET 219 Ca -0.01 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1xl9 h MET 219 Cb 0.93 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.70 1xl9 h MET 219 CO 0.07 -0.05 0.38 0.82 0.23 0.00 0.00 176.91 178.36 1xl9 h ILE 220 N -0.08 1.00 -0.24 1.77 2.04 -0.89 -2.27 117.51 118.84 1xl9 h ILE 220 Ca 0.19 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 1xl9 h ILE 220 Cb 0.36 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xl9 h ILE 220 CO -0.43 0.13 -0.39 0.00 0.00 0.00 0.00 178.15 177.45 1xl9 h ALA 221 N 1.33 0.87 0.10 1.87 0.00 -1.07 -1.11 119.26 121.25 1xl9 h ALA 221 Ca 0.29 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xl9 h ALA 221 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xl9 h ALA 221 CO -0.16 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1xl9 h ALA 222 N 1.12 -0.14 -0.42 0.00 0.00 -1.13 -1.82 119.26 116.87 1xl9 h ALA 222 Ca 0.04 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1xl9 h ALA 222 Cb 0.89 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1xl9 h ALA 222 CO 0.08 -0.47 -0.34 0.35 0.00 0.00 0.00 179.25 178.86 1xl9 h PHE 223 N -0.36 -0.96 0.00 0.00 3.57 -1.37 0.11 116.94 117.94 1xl9 h PHE 223 Ca -0.01 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xl9 h PHE 223 Cb 0.30 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1xl9 h PHE 223 CO -0.00 -0.39 -0.01 1.96 -2.23 0.00 0.00 178.31 177.64 1xl9 h GLN 224 N -0.26 0.00 -0.39 1.11 4.20 -1.08 0.52 115.11 119.21 1xl9 h GLN 224 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1xl9 h GLN 224 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1xl9 h GLN 224 CO -0.56 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 177.61 1xl9 n ALA 225 N -2.37 2.44 -2.13 3.87 0.00 -0.70 -4.95 120.51 116.68 1xl9 n ALA 225 Ca -0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 1xl9 n ALA 225 Cb 0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 1.36 0.06 2.96 0.00 0.00 0.17 -4.92 105.19 104.82 1xl9 n GLY 226 Ca 0.18 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1xl9 n GLY 226 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xl9 n GLU 227 N -2.38 4.35 -0.03 1.61 0.00 0.33 -4.84 120.64 119.68 1xl9 n GLU 227 Ca -0.16 -4.35 0.03 0.00 0.00 0.00 0.00 57.16 52.68 1xl9 n GLU 227 Cb 0.60 -2.59 0.38 0.00 0.00 0.00 0.00 31.44 29.83 1xl9 n GLU 227 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1xl9 h PHE 228 N 5.44 0.57 -0.21 4.31 0.04 -1.89 -1.91 116.94 123.30 1xl9 h PHE 228 Ca 0.25 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.93 1xl9 h PHE 228 Cb 0.60 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1xl9 h PHE 228 CO 1.08 0.39 -0.27 0.87 -0.60 0.00 0.00 178.31 179.78 1xl9 h LYS 229 N 0.60 0.39 -0.01 1.51 1.79 -1.96 -1.80 116.57 117.09 1xl9 h LYS 229 Ca 0.16 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1xl9 h LYS 229 Cb -0.01 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1xl9 h LYS 229 CO -0.03 0.63 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.65 1xl9 h LYS 230 N 0.35 0.10 -0.70 3.15 3.64 -1.76 -3.14 116.57 118.19 1xl9 h LYS 230 Ca 0.05 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1xl9 h LYS 230 Cb 0.65 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.43 1xl9 h LYS 230 CO 0.05 0.77 0.39 0.00 -2.27 0.00 0.00 179.45 178.39 1xl9 h ALA 231 N 0.33 0.95 -0.43 5.00 0.00 -1.42 -2.55 119.26 121.13 1xl9 h ALA 231 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xl9 h ALA 231 Cb 0.79 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xl9 h ALA 231 CO 0.02 0.06 0.29 1.96 0.00 0.00 0.00 179.25 181.58 1xl9 h GLN 232 N 0.71 0.48 0.02 0.00 4.20 -1.38 0.19 115.11 119.33 1xl9 h GLN 232 Ca 0.32 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.77 1xl9 h GLN 232 Cb 0.22 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xl9 h GLN 232 CO -0.20 0.32 -0.97 -0.22 -0.67 0.00 0.00 178.83 177.09 1xl9 h LYS 233 N 0.49 0.36 -0.01 1.46 3.64 -1.41 -1.90 116.57 119.19 1xl9 h LYS 233 Ca 0.17 -0.41 -0.15 0.00 -1.27 0.00 0.00 60.65 59.00 1xl9 h LYS 233 Cb 0.08 0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1xl9 h LYS 233 CO -0.04 1.10 -0.56 -0.07 -2.27 0.00 0.00 179.45 177.60 1xl9 h LEU 234 N 0.19 0.52 -0.77 5.20 3.38 -1.23 -2.73 115.31 119.87 1xl9 h LEU 234 Ca -0.08 -0.74 0.15 0.00 0.09 0.00 0.00 57.88 57.29 1xl9 h LEU 234 Cb 1.62 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 42.11 1xl9 h LEU 234 CO 0.16 1.19 0.31 -0.74 0.09 0.00 0.00 178.44 179.46 1xl9 h HIS 235 N -0.10 0.53 -0.96 1.13 2.76 -0.68 -0.17 115.15 117.65 1xl9 h HIS 235 Ca -0.07 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1xl9 h HIS 235 Cb 1.27 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 30.06 1xl9 h HIS 235 CO 0.14 0.06 0.63 1.96 -1.30 0.00 0.00 177.93 179.43 1xl9 h GLN 236 N 0.45 1.23 -0.03 5.26 4.20 -1.29 -1.30 115.11 123.63 1xl9 h GLN 236 Ca 0.43 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1xl9 h GLN 236 Cb 0.65 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1xl9 h GLN 236 CO -0.41 0.81 0.00 1.25 -0.67 0.00 0.00 178.83 179.81 1xl9 h LEU 237 N 1.26 0.05 -0.58 1.46 5.85 -1.04 -2.73 115.31 119.58 1xl9 h LEU 237 Ca 0.36 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1xl9 h LEU 237 Cb -0.09 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 1xl9 h LEU 237 CO -0.10 0.30 0.10 0.25 -0.34 0.00 0.00 178.44 178.65 1xl9 h LEU 238 N -0.21 -0.05 -0.87 2.25 6.46 -0.70 0.10 115.31 122.29 1xl9 h LEU 238 Ca 0.01 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1xl9 h LEU 238 Cb 0.27 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 1xl9 h LEU 238 CO 0.00 -0.01 0.45 0.58 -0.62 0.00 0.00 178.44 178.84 1xl9 h VAL 239 N 0.22 1.26 -0.11 1.05 2.07 -1.28 0.83 116.25 120.29 1xl9 h VAL 239 Ca 0.30 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1xl9 h VAL 239 Cb 0.45 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1xl9 h VAL 239 CO -0.41 0.30 -0.06 -0.09 0.02 0.00 0.00 177.57 177.33 1xl9 h ARG 240 N 1.23 0.24 -0.35 1.57 2.43 -1.03 -1.90 114.38 116.56 1xl9 h ARG 240 Ca 0.30 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1xl9 h ARG 240 Cb 0.07 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1xl9 h ARG 240 CO -0.04 0.60 0.12 0.28 -1.51 0.00 0.00 179.97 179.42 1xl9 h VAL 241 N -0.13 1.20 -0.46 0.20 2.07 -0.79 -2.75 116.25 115.59 1xl9 h VAL 241 Ca 0.02 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1xl9 h VAL 241 Cb 0.54 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1xl9 h VAL 241 CO 0.02 0.22 0.30 0.74 0.02 0.00 0.00 177.57 178.86 1xl9 h THR 242 N 0.41 1.12 -0.96 2.57 2.02 -0.85 -1.96 112.91 115.27 1xl9 h THR 242 Ca 0.11 -0.23 0.12 0.00 0.77 0.00 0.00 66.41 67.18 1xl9 h THR 242 Cb 0.22 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 1xl9 h THR 242 CO -0.01 0.12 0.61 0.44 0.37 0.00 0.00 175.52 177.05 1xl9 h ASP 243 N 0.61 0.85 0.92 4.18 5.19 -1.30 -1.91 116.42 124.96 1xl9 h ASP 243 Ca 0.17 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1xl9 h ASP 243 Cb -0.06 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1xl9 h ASP 243 CO -0.04 0.47 -0.20 0.77 -3.12 0.00 0.00 179.24 177.12 1xl9 h SER 244 N 0.92 0.00 0.37 6.45 4.64 -1.06 -2.81 113.55 122.07 1xl9 h SER 244 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1xl9 h SER 244 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1xl9 h SER 244 CO -0.23 0.20 -0.09 0.18 -0.87 0.00 0.00 176.83 176.02 1xl9 n LEU 245 N -3.37 0.41 -0.22 5.97 4.32 -0.73 -3.95 117.00 119.44 1xl9 n LEU 245 Ca 0.00 0.04 0.06 0.00 -0.02 0.00 0.00 56.01 56.09 1xl9 n LEU 245 Cb 0.41 -0.19 0.09 0.00 -1.62 0.00 0.00 43.42 42.11 1xl9 n LEU 245 CO 0.33 0.08 0.45 0.49 -1.22 0.00 0.00 177.39 177.51 1xl9 n PHE 246 N -0.99 0.00 0.23 -1.77 3.72 -1.06 -4.50 117.46 113.09 1xl9 n PHE 246 Ca 0.15 -0.62 0.10 0.00 -0.05 0.00 0.00 57.45 57.02 1xl9 n PHE 246 Cb 0.27 -0.11 0.52 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.00 -5.92 -1.08 2.86 -1.67 -3.44 114.93 105.68 1xl9 h MET 247 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 1xl9 h MET 247 Cb 1.12 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.66 1xl9 h MET 247 CO 0.00 0.22 -0.64 0.00 1.06 0.00 0.00 176.91 177.55 1xl9 s ALA 248 N -3.83 3.09 0.18 6.32 0.00 -1.26 -5.09 121.76 121.17 1xl9 s ALA 248 Ca -0.01 -2.09 -0.32 0.00 0.00 0.00 0.00 51.96 49.55 1xl9 s ALA 248 Cb 0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 23.12 22.99 1xl9 s ALA 248 CO 0.63 0.03 1.76 -2.30 0.00 0.00 0.00 175.76 175.89 1xl9 n PRO 249 N -0.89 2.79 -2.39 0.00 -0.02 -1.26 -4.73 135.00 128.50 1xl9 n PRO 249 Ca -0.05 1.01 -0.35 0.00 -2.02 0.00 0.00 63.50 62.09 1xl9 n PRO 249 Cb 0.64 -2.87 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.64 6.10 -0.13 2.55 0.15 -1.26 -2.38 113.70 120.38 1xl9 s SER 250 Ca 0.77 2.08 0.11 0.00 0.70 0.00 0.00 55.95 59.61 1xl9 s SER 250 Cb -0.50 -2.58 0.54 0.00 -1.71 0.00 0.00 66.02 61.77 1xl9 s SER 250 CO 0.34 -0.95 1.36 -0.81 1.20 0.00 0.00 173.24 174.37 1xl9 n PRO 251 N -0.97 3.34 -0.05 5.44 -0.04 -1.26 -4.94 135.00 136.52 1xl9 n PRO 251 Ca 0.10 -2.08 -0.11 0.00 -0.04 0.00 0.00 63.50 61.37 1xl9 n PRO 251 Cb 0.51 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.04 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 2.78 1.13 -0.63 0.52 2.02 -1.80 -2.24 112.91 114.68 1xl9 h THR 252 Ca 0.00 -0.38 0.11 0.00 0.77 0.00 0.00 66.41 66.92 1xl9 h THR 252 Cb 1.33 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.70 1xl9 h THR 252 CO 0.26 0.12 0.18 -0.65 0.37 0.00 0.00 175.52 175.81 1xl9 h PRO 253 N 0.16 0.31 -0.05 6.66 0.11 -1.79 -1.76 132.00 135.65 1xl9 h PRO 253 Ca 0.06 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 1xl9 h PRO 253 Cb 0.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1xl9 h PRO 253 CO -0.01 0.21 -0.44 -0.24 -0.21 0.00 0.00 178.00 177.31 1xl9 h VAL 254 N 0.32 1.32 -0.16 3.15 3.04 -1.74 -0.08 116.25 122.11 1xl9 h VAL 254 Ca 0.33 -1.55 -0.12 0.00 -1.01 0.00 0.00 66.70 64.35 1xl9 h VAL 254 Cb 0.48 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1xl9 h VAL 254 CO -0.38 0.45 -0.42 0.11 -1.01 0.00 0.00 177.57 176.32 1xl9 h LYS 255 N 0.09 0.37 -0.31 4.17 1.57 -1.10 -2.11 116.57 119.24 1xl9 h LYS 255 Ca 0.00 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 1xl9 h LYS 255 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1xl9 h LYS 255 CO 0.06 0.72 -0.45 1.15 -0.57 0.00 0.00 179.45 180.37 1xl9 h THR 256 N 0.30 1.28 -0.13 -0.16 2.02 -0.79 -3.05 112.91 112.38 1xl9 h THR 256 Ca 0.03 -1.63 -0.07 0.00 0.77 0.00 0.00 66.41 65.50 1xl9 h THR 256 Cb 0.87 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1xl9 h THR 256 CO 0.07 0.53 -0.24 0.00 0.37 0.00 0.00 175.52 176.25 1xl9 h ALA 257 N 0.84 1.35 -0.20 6.16 0.00 -0.84 -1.92 119.26 124.64 1xl9 h ALA 257 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1xl9 h ALA 257 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xl9 h ALA 257 CO 0.10 0.45 -0.06 -0.07 0.00 0.00 0.00 179.25 179.67 1xl9 h LEU 258 N 0.22 0.41 -1.63 0.00 3.38 -1.40 -2.88 115.31 113.40 1xl9 h LEU 258 Ca 0.04 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.75 1xl9 h LEU 258 Cb 0.55 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1xl9 h LEU 258 CO 0.04 0.69 0.44 -0.61 0.09 0.00 0.00 178.44 179.08 1xl9 h GLN 259 N 0.12 0.38 0.00 1.13 -0.00 -1.02 -0.67 115.11 115.05 1xl9 h GLN 259 Ca 0.05 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.60 1xl9 h GLN 259 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 1xl9 h GLN 259 CO 0.02 0.25 -0.38 0.52 0.00 0.00 0.00 178.83 179.25 1xl9 h MET 260 N 0.39 0.00 -0.41 1.69 2.86 -1.15 -2.97 114.93 115.35 1xl9 h MET 260 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1xl9 h MET 260 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1xl9 h MET 260 CO -0.09 0.38 0.00 1.33 1.06 0.00 0.00 176.91 179.59 1xl9 n VAL 261 N -3.57 2.25 0.00 -2.22 0.24 -0.66 -4.98 118.33 109.40 1xl9 n VAL 261 Ca -0.00 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 1xl9 n VAL 261 Cb 0.50 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.11 3.24 3.37 7.63 0.00 -0.90 -5.03 105.19 113.61 1xl9 n GLY 262 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1xl9 n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl9 s LEU 263 N 0.00 5.88 -0.44 0.99 1.43 -0.35 -4.92 118.68 121.27 1xl9 s LEU 263 Ca 0.00 -2.06 -0.24 0.00 -1.03 0.00 0.00 54.13 50.81 1xl9 s LEU 263 Cb 0.00 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1xl9 s LEU 263 CO 0.00 -0.89 0.83 -0.62 0.23 0.00 0.00 176.35 175.90 1xl9 s ASP 264 N 3.11 6.47 -0.08 2.29 -1.08 -1.26 -2.01 116.67 124.11 1xl9 s ASP 264 Ca 0.18 0.06 0.11 0.00 -0.52 0.00 0.00 52.55 52.38 1xl9 s ASP 264 Cb -0.15 -2.41 0.28 0.00 -1.46 0.00 0.00 42.92 39.17 1xl9 s ASP 264 CO -0.03 -0.92 1.20 1.33 0.52 0.00 0.00 175.17 177.27 1xl9 n VAL 265 N 6.16 1.54 -1.45 1.11 0.24 -1.26 -5.00 118.33 119.67 1xl9 n VAL 265 Ca 0.04 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 60.81 1xl9 n VAL 265 Cb 0.48 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.48 -1.77 0.00 7.63 0.00 -1.23 -0.83 105.19 108.50 1xl9 n GLY 266 Ca 0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.02 0.55 -4.29 1.61 2.88 -1.26 -4.76 113.62 108.37 1xl9 n SER 267 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 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 1.92 1.49 0.30 2.46 -7.23 -1.26 -4.51 120.40 113.58 1xl9 s VAL 268 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 1xl9 s VAL 268 Cb 0.00 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.05 1xl9 s VAL 268 CO 0.00 -0.55 0.60 -0.13 -0.31 0.00 0.00 175.10 174.71 1xl9 s ARG 269 N -3.30 3.71 0.37 4.82 0.52 -1.26 -4.79 118.95 119.02 1xl9 s ARG 269 Ca 0.16 0.18 -0.28 0.00 -0.52 0.00 0.00 55.73 55.27 1xl9 s ARG 269 Cb -0.02 -2.59 -0.10 0.00 0.52 0.00 0.00 34.95 32.76 1xl9 s ARG 269 CO 0.04 0.19 1.36 -0.51 0.02 0.00 0.00 175.30 176.40 1xl9 s LEU 270 N -3.41 4.33 -0.01 2.53 1.43 -1.26 -1.08 118.68 121.21 1xl9 s LEU 270 Ca 0.46 2.78 0.02 0.00 -1.03 0.00 0.00 54.13 56.37 1xl9 s LEU 270 Cb -0.11 -3.73 0.09 0.00 0.03 0.00 0.00 46.19 42.48 1xl9 s LEU 270 CO 0.28 -0.73 0.91 -0.81 0.23 0.00 0.00 176.35 176.23 1xl9 n PRO 271 N 0.50 1.33 -3.24 1.29 -0.04 -1.26 -4.92 135.00 128.66 1xl9 n PRO 271 Ca 0.01 -0.37 -0.24 0.00 -0.04 0.00 0.00 63.50 62.87 1xl9 n PRO 271 Cb 0.42 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.75 3.91 0.00 1.53 1.43 -0.24 -5.12 118.68 119.45 1xl9 s LEU 272 Ca 0.07 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1xl9 s LEU 272 Cb 0.04 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 1xl9 s LEU 272 CO 0.03 -0.40 0.06 -0.76 0.23 0.00 0.00 176.35 175.51 1xl9 s LEU 273 N -4.40 1.87 0.53 1.79 1.43 -1.26 -4.54 118.68 114.09 1xl9 s LEU 273 Ca 0.42 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.07 1xl9 s LEU 273 Cb -0.10 0.35 -0.09 0.00 0.03 0.00 0.00 46.19 46.39 1xl9 s LEU 273 CO 0.37 -0.27 0.75 -2.65 0.23 0.00 0.00 176.35 174.79 1xl9 n PRO 274 N 1.85 0.81 -1.52 1.29 -0.02 -1.26 -4.94 135.00 131.21 1xl9 n PRO 274 Ca -0.21 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 1xl9 n PRO 274 Cb 0.56 -1.88 0.06 0.00 -0.02 0.00 0.00 33.50 32.22 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 0.25 3.01 -4.86 2.45 4.32 -1.26 -5.02 117.00 115.90 1xl9 n LEU 275 Ca 0.12 0.74 -0.29 0.00 -0.02 0.00 0.00 56.01 56.56 1xl9 n LEU 275 Cb 0.45 -1.35 0.11 0.00 -1.62 0.00 0.00 43.42 41.01 1xl9 n LEU 275 CO 0.52 -2.20 0.76 0.42 -1.22 0.00 0.00 177.39 175.68 1xl9 s THR 276 N -1.64 2.00 0.18 -5.08 -4.23 -1.26 -4.86 115.64 100.75 1xl9 s THR 276 Ca 0.74 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.13 1xl9 s THR 276 Cb -0.40 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.64 1xl9 s THR 276 CO 0.49 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.28 1xl9 h GLU 277 N -1.25 0.89 -0.50 3.99 4.57 -1.99 -0.47 114.58 119.82 1xl9 h GLU 277 Ca -0.48 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1xl9 h GLU 277 Cb 1.33 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1xl9 h GLU 277 CO 0.63 0.68 0.33 1.49 -1.18 0.00 0.00 179.01 180.96 1xl9 h GLU 278 N 0.86 0.67 -0.65 1.92 4.81 -2.00 -1.35 114.58 118.84 1xl9 h GLU 278 Ca 0.22 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1xl9 h GLU 278 Cb 0.06 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1xl9 h GLU 278 CO -0.03 0.45 0.24 0.93 -0.73 0.00 0.00 179.01 179.86 1xl9 h GLU 279 N 0.68 0.97 -0.25 1.92 5.08 -1.87 -2.55 114.58 118.56 1xl9 h GLU 279 Ca 0.18 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xl9 h GLU 279 Cb -0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1xl9 h GLU 279 CO -0.04 0.81 0.05 0.00 -1.00 0.00 0.00 179.01 178.83 1xl9 h ARG 280 N 0.95 0.41 -0.21 2.33 3.08 -0.83 -2.83 114.38 117.28 1xl9 h ARG 280 Ca 0.22 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1xl9 h ARG 280 Cb 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1xl9 h ARG 280 CO -0.02 0.53 -0.15 0.28 -1.07 0.00 0.00 179.97 179.54 1xl9 h VAL 281 N 0.22 0.58 -0.83 2.04 2.07 -1.13 0.66 116.25 119.87 1xl9 h VAL 281 Ca 0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1xl9 h VAL 281 Cb 0.31 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1xl9 h VAL 281 CO 0.00 0.00 0.45 0.74 0.02 0.00 0.00 177.57 178.78 1xl9 h THR 282 N -0.15 0.83 -0.10 2.57 2.02 -1.50 -2.34 112.91 114.25 1xl9 h THR 282 Ca 0.12 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 1xl9 h THR 282 Cb 0.33 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1xl9 h THR 282 CO -0.30 0.13 -0.44 0.25 0.37 0.00 0.00 175.52 175.53 1xl9 h LEU 283 N 0.71 0.56 -0.46 2.58 5.85 -1.16 -2.99 115.31 120.39 1xl9 h LEU 283 Ca 0.42 -0.64 0.09 0.00 0.84 0.00 0.00 57.88 58.59 1xl9 h LEU 283 Cb 0.49 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 1xl9 h LEU 283 CO -0.30 1.10 -0.31 -0.61 -0.34 0.00 0.00 178.44 177.99 1xl9 h GLN 284 N 0.05 -0.20 -0.56 1.25 5.75 -0.79 -1.30 115.11 119.32 1xl9 h GLN 284 Ca -0.03 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.60 1xl9 h GLN 284 Cb 1.09 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.59 1xl9 h GLN 284 CO 0.09 -0.13 0.03 0.77 -2.65 0.00 0.00 178.83 176.94 1xl9 h SER 285 N -0.20 -0.19 -0.43 -0.69 0.02 -1.36 0.50 113.55 111.20 1xl9 h SER 285 Ca 0.20 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1xl9 h SER 285 Cb 0.53 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1xl9 h SER 285 CO -0.58 -0.07 0.08 0.58 -1.14 0.00 0.00 176.83 175.71 1xl9 h VAL 286 N 0.14 1.24 -0.45 2.27 2.07 -1.21 -2.37 116.25 117.95 1xl9 h VAL 286 Ca 0.29 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1xl9 h VAL 286 Cb 0.44 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1xl9 h VAL 286 CO -0.45 0.30 0.19 0.24 0.02 0.00 0.00 177.57 177.87 1xl9 h MET 287 N 0.57 0.63 0.00 1.57 2.07 -0.72 -1.83 114.93 117.22 1xl9 h MET 287 Ca 0.13 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1xl9 h MET 287 Cb 0.35 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1xl9 h MET 287 CO 0.01 0.51 0.00 1.04 1.07 0.00 0.00 176.91 179.53 1xl9 n GLN 288 N -4.38 0.15 -0.09 1.72 6.02 0.12 -2.38 117.38 118.54 1xl9 n GLN 288 Ca 0.03 0.16 0.12 0.00 -0.01 0.00 0.00 57.00 57.30 1xl9 n GLN 288 Cb 0.14 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.11 1xl9 n GLN 288 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xl9 n SER 289 N -1.37 2.94 -4.67 1.08 3.41 -0.69 -4.91 113.62 109.41 1xl9 n SER 289 Ca 0.07 -1.93 -0.43 0.00 -0.26 0.00 0.00 58.87 56.32 1xl9 n SER 289 Cb 0.16 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.76 4.63 0.37 -1.33 1.01 -1.00 -4.99 121.20 118.13 1xl9 s ILE 290 Ca 0.34 1.94 -0.28 0.00 0.00 0.00 0.00 60.65 62.65 1xl9 s ILE 290 Cb 0.21 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.32 1xl9 s ILE 290 CO 0.31 -0.10 1.38 -2.65 0.00 0.00 0.00 174.94 173.88 1xl9 n PRO 291 N 5.80 2.36 0.00 2.79 -0.02 -1.26 -5.09 135.00 139.58 1xl9 n PRO 291 Ca 0.11 0.83 0.14 0.00 -2.02 0.00 0.00 63.50 62.56 1xl9 n PRO 291 Cb 0.47 -2.50 0.57 0.00 -0.02 0.00 0.00 33.50 32.01 1xl9 n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02