#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi1 s ARG 6 N 0.00 4.36 0.64 -0.52 0.52 -1.26 -5.04 118.95 117.65 1xi1 s ARG 6 Ca 0.00 1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 56.44 1xi1 s ARG 6 Cb 0.00 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 1xi1 s ARG 6 CO 0.00 -0.41 1.04 0.15 0.02 0.00 0.00 175.30 176.10 1xi1 s LYS 7 N 2.40 3.39 -0.05 3.54 1.02 -1.26 -4.87 119.74 123.91 1xi1 s LYS 7 Ca 0.46 0.79 0.01 0.00 0.02 0.00 0.00 55.97 57.25 1xi1 s LYS 7 Cb -0.17 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1xi1 s LYS 7 CO 0.14 -0.73 -0.06 -1.64 -0.92 0.00 0.00 175.35 172.13 1xi1 s MET 8 N -5.15 1.03 0.17 1.68 -1.94 -1.26 -0.90 119.30 112.93 1xi1 s MET 8 Ca 0.56 -0.17 0.09 0.00 -1.71 0.00 0.00 55.69 54.46 1xi1 s MET 8 Cb -0.12 -0.98 -0.04 0.00 2.01 0.00 0.00 34.83 35.70 1xi1 s MET 8 CO 0.54 -0.06 -0.21 0.71 -0.01 0.00 0.00 175.02 175.99 1xi1 s TYR 9 N 0.89 1.99 -0.34 -0.03 1.51 -0.44 -1.60 117.35 119.33 1xi1 s TYR 9 Ca -0.11 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.47 1xi1 s TYR 9 Cb -0.15 -1.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1xi1 s TYR 9 CO 0.01 0.38 0.09 0.45 -1.11 0.00 0.00 175.55 175.37 1xi1 s SER 10 N -2.58 5.26 0.34 2.29 0.15 0.20 -1.12 113.70 118.24 1xi1 s SER 10 Ca 0.16 -1.17 0.08 0.00 0.70 0.00 0.00 55.95 55.72 1xi1 s SER 10 Cb -0.07 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1xi1 s SER 10 CO 0.07 -0.32 0.13 0.00 1.20 0.00 0.00 173.24 174.32 1xi1 s ALA 12 N -2.44 -1.74 0.21 0.00 0.00 -0.40 -4.25 121.76 113.14 1xi1 s ALA 12 Ca 0.37 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.46 1xi1 s ALA 12 Cb -0.02 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1xi1 s ALA 12 CO 0.22 -0.54 -0.17 -0.06 0.00 0.00 0.00 175.76 175.22 1xi1 s PHE 13 N -2.28 1.87 -0.08 0.00 2.99 -1.26 -1.63 117.98 117.59 1xi1 s PHE 13 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 56.93 56.40 1xi1 s PHE 13 Cb -0.01 -0.87 0.02 0.00 0.00 0.00 0.00 43.02 42.17 1xi1 s PHE 13 CO -0.01 0.43 -0.07 -1.21 -0.00 0.00 0.00 175.22 174.37 1xi1 s GLU 14 N -3.39 1.26 0.32 0.44 0.41 0.13 -4.96 118.70 112.92 1xi1 s GLU 14 Ca 0.22 -0.19 0.07 0.00 -0.41 0.00 0.00 54.97 54.66 1xi1 s GLU 14 Cb -0.03 -1.29 -0.06 0.00 -1.78 0.00 0.00 34.13 30.96 1xi1 s GLU 14 CO 0.09 -0.18 -0.05 0.95 -0.49 0.00 0.00 175.26 175.58 1xi1 s THR 15 N 1.39 1.83 0.73 3.63 -4.23 -1.26 0.08 115.64 117.81 1xi1 s THR 15 Ca -0.02 -2.12 -0.11 0.00 -1.18 0.00 0.00 61.69 58.26 1xi1 s THR 15 Cb -0.13 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1xi1 s THR 15 CO -0.04 -0.19 1.08 -0.89 -0.54 0.00 0.00 174.62 174.04 1xi1 s THR 16 N -2.88 3.61 -1.22 3.99 2.01 0.53 -4.87 115.64 116.82 1xi1 s THR 16 Ca 0.32 0.52 0.10 0.00 0.31 0.00 0.00 61.69 62.95 1xi1 s THR 16 Cb 0.05 -3.32 0.06 0.00 0.01 0.00 0.00 72.50 69.30 1xi1 s THR 16 CO 0.15 -0.68 0.78 0.35 -0.69 0.00 0.00 174.62 174.52 1xi1 n THR 17 N -3.21 0.00 -3.01 -0.82 -2.24 -1.26 -4.61 114.28 99.13 1xi1 n THR 17 Ca 0.07 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 1xi1 n THR 17 Cb 0.55 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.93 1xi1 n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xi1 s LYS 18 N -1.02 4.45 0.26 -0.78 1.02 -1.26 -4.77 119.74 117.64 1xi1 s LYS 18 Ca 0.11 0.96 -0.03 0.00 0.02 0.00 0.00 55.97 57.03 1xi1 s LYS 18 Cb 0.09 -3.43 0.41 0.00 -0.52 0.00 0.00 37.83 34.38 1xi1 s LYS 18 CO 0.17 0.12 1.86 0.28 -0.92 0.00 0.00 175.35 176.85 1xi1 h VAL 19 N 4.60 1.04 -0.00 3.17 2.07 -1.97 -1.60 116.25 123.55 1xi1 h VAL 19 Ca -0.42 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1xi1 h VAL 19 Cb 1.20 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xi1 h VAL 19 CO 0.74 0.20 -0.20 -0.62 0.02 0.00 0.00 177.57 177.70 1xi1 n GLU 20 N -4.57 0.51 -3.17 1.57 4.71 -1.26 -4.23 120.64 114.21 1xi1 n GLU 20 Ca 0.15 -0.22 -0.18 0.00 -0.01 0.00 0.00 57.16 56.91 1xi1 n GLU 20 Cb 0.22 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 1xi1 n GLU 20 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1xi1 n ASP 21 N -1.05 0.66 -4.62 1.62 2.03 -0.65 -5.09 116.55 109.45 1xi1 n ASP 21 Ca 0.11 -3.05 -0.41 0.00 0.52 0.00 0.00 54.79 51.97 1xi1 n ASP 21 Cb 0.31 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.16 1xi1 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xi1 s ARG 23 N 2.53 1.34 -0.26 0.00 1.70 -1.26 -4.48 118.95 118.52 1xi1 s ARG 23 Ca 0.26 -0.61 -0.25 0.00 -0.47 0.00 0.00 55.73 54.66 1xi1 s ARG 23 Cb -0.15 0.55 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1xi1 s ARG 23 CO 0.10 -0.60 0.85 0.08 -1.08 0.00 0.00 175.30 174.64 1xi1 s VAL 24 N -3.66 4.79 -1.30 4.99 1.01 -1.26 -0.34 120.40 124.63 1xi1 s VAL 24 Ca 0.05 1.50 0.18 0.00 0.00 0.00 0.00 61.98 63.71 1xi1 s VAL 24 Cb -0.02 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1xi1 s VAL 24 CO -0.05 -0.16 0.85 -2.67 0.00 0.00 0.00 175.10 173.06 1xi1 n TRP 25 N 6.14 0.00 -3.64 5.22 4.27 0.11 -4.54 117.44 125.01 1xi1 n TRP 25 Ca 0.06 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.53 1xi1 n TRP 25 Cb 0.48 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.35 1xi1 n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xi1 s ALA 26 N -2.32 -1.67 0.24 -1.67 0.00 -1.03 -4.44 121.76 110.87 1xi1 s ALA 26 Ca 0.11 1.84 0.01 0.00 0.00 0.00 0.00 51.96 53.92 1xi1 s ALA 26 Cb 0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1xi1 s ALA 26 CO 0.57 -0.32 0.12 1.52 0.00 0.00 0.00 175.76 177.64 1xi1 s TYR 27 N 0.22 1.38 -0.28 0.00 -0.85 -0.31 0.19 117.35 117.70 1xi1 s TYR 27 Ca -0.01 -1.29 -0.25 0.00 -0.52 0.00 0.00 57.07 55.00 1xi1 s TYR 27 Cb -0.04 -0.75 0.13 0.00 0.38 0.00 0.00 41.96 41.68 1xi1 s TYR 27 CO 0.02 -0.49 1.10 0.20 -1.52 0.00 0.00 175.55 174.85 1xi1 s GLY 28 N -3.25 -0.07 0.01 5.49 0.00 -0.65 -2.28 107.32 106.57 1xi1 s GLY 28 Ca 0.38 2.81 0.02 0.00 0.00 0.00 0.00 44.72 47.93 1xi1 s GLY 28 CO 0.13 1.84 -0.06 -2.52 0.00 0.00 0.00 173.10 172.50 1xi1 s TYR 29 N 0.18 0.53 0.01 1.90 -0.85 -0.80 -1.28 117.35 117.05 1xi1 s TYR 29 Ca 0.04 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 1xi1 s TYR 29 Cb -0.05 -0.34 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 1xi1 s TYR 29 CO -0.08 -0.02 -0.06 1.41 -1.52 0.00 0.00 175.55 175.27 1xi1 s MET 30 N -0.46 0.49 -0.70 -3.49 1.75 -0.83 -1.36 119.30 114.69 1xi1 s MET 30 Ca -0.01 -0.39 -0.27 0.00 -1.25 0.00 0.00 55.69 53.78 1xi1 s MET 30 Cb -0.04 -0.40 0.02 0.00 2.84 0.00 0.00 34.83 37.24 1xi1 s MET 30 CO -0.00 0.10 1.44 1.21 -0.65 0.00 0.00 175.02 177.12 1xi1 s ASN 31 N -0.61 5.92 0.39 1.11 3.04 0.02 -0.63 114.94 124.17 1xi1 s ASN 31 Ca -0.02 -0.21 0.27 0.00 0.04 0.00 0.00 52.86 52.95 1xi1 s ASN 31 Cb -0.05 -2.55 1.33 0.00 -1.54 0.00 0.00 41.25 38.44 1xi1 s ASN 31 CO 0.00 -1.98 1.42 -0.38 -3.04 0.00 0.00 177.10 173.12 1xi1 n ILE 32 N 6.63 -0.26 0.03 -5.21 5.41 -0.63 0.23 119.36 125.55 1xi1 n ILE 32 Ca 0.08 1.68 -0.17 0.00 1.00 0.00 0.00 62.75 65.34 1xi1 n ILE 32 Cb 0.50 -2.75 -0.14 0.00 -0.71 0.00 0.00 39.64 36.54 1xi1 n ILE 32 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1xi1 h GLU 33 N 0.00 0.22 -3.24 0.38 5.08 -1.89 -3.43 114.58 111.69 1xi1 h GLU 33 Ca 0.79 -0.37 -0.63 0.00 -1.00 0.00 0.00 59.36 58.15 1xi1 h GLU 33 Cb 2.46 0.14 -0.41 0.00 0.50 0.00 0.00 28.75 31.44 1xi1 h GLU 33 CO -0.48 1.04 -0.66 0.34 -1.00 0.00 0.00 179.01 178.24 1xi1 s ASP 34 N -6.85 4.10 0.00 1.42 -1.08 0.14 -4.96 116.67 109.44 1xi1 s ASP 34 Ca -0.13 -2.91 0.02 0.00 -0.52 0.00 0.00 52.55 49.00 1xi1 s ASP 34 Cb 0.07 -1.44 0.10 0.00 -1.46 0.00 0.00 42.92 40.19 1xi1 s ASP 34 CO 0.82 -0.24 0.38 1.41 0.52 0.00 0.00 175.17 178.06 1xi1 n HIS 35 N 3.22 0.00 0.25 -5.34 8.25 -1.02 -1.38 115.22 119.19 1xi1 n HIS 35 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 1xi1 n HIS 35 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1xi1 n HIS 35 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1xi1 n SER 36 N -0.62 0.66 -4.54 0.41 3.41 -1.26 -4.75 113.62 106.93 1xi1 n SER 36 Ca 0.01 0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 1xi1 n SER 36 Cb 0.01 0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 64.57 1xi1 n SER 36 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xi1 s GLU 37 N -3.32 3.53 -0.08 4.33 2.12 -0.48 -5.03 118.70 119.77 1xi1 s GLU 37 Ca 0.00 -0.39 -0.31 0.00 0.36 0.00 0.00 54.97 54.63 1xi1 s GLU 37 Cb 0.12 -3.82 0.12 0.00 0.26 0.00 0.00 34.13 30.80 1xi1 s GLU 37 CO 0.80 -0.58 1.00 1.52 -0.54 0.00 0.00 175.26 177.46 1xi1 s TYR 38 N 2.11 -0.27 -0.08 5.30 -0.85 -1.26 -0.80 117.35 121.49 1xi1 s TYR 38 Ca 0.13 0.19 -0.09 0.00 -0.52 0.00 0.00 57.07 56.79 1xi1 s TYR 38 Cb -0.16 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.72 1xi1 s TYR 38 CO 0.12 -0.42 0.24 0.21 -1.52 0.00 0.00 175.55 174.19 1xi1 s LYS 39 N -2.75 0.33 -0.15 -3.49 2.47 -0.47 -5.00 119.74 110.68 1xi1 s LYS 39 Ca 0.06 0.25 -0.01 0.00 -1.56 0.00 0.00 55.97 54.71 1xi1 s LYS 39 Cb -0.01 0.16 0.04 0.00 -1.46 0.00 0.00 37.83 36.55 1xi1 s LYS 39 CO -0.07 -0.05 -0.05 0.42 0.16 0.00 0.00 175.35 175.76 1xi1 s ILE 40 N -0.09 1.04 0.42 5.43 1.01 -1.26 -1.91 121.20 125.84 1xi1 s ILE 40 Ca -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1xi1 s ILE 40 Cb -0.02 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1xi1 s ILE 40 CO 0.01 0.18 0.13 -0.83 0.00 0.00 0.00 174.94 174.43 1xi1 s GLY 41 N 1.67 2.66 -0.17 6.18 0.00 -0.97 -4.97 107.32 111.73 1xi1 s GLY 41 Ca 0.02 -1.18 0.15 0.00 0.00 0.00 0.00 44.72 43.71 1xi1 s GLY 41 CO -0.08 -1.84 1.18 1.16 0.00 0.00 0.00 173.10 173.53 1xi1 n ASN 42 N -1.36 1.98 -3.72 1.64 6.94 -1.26 -1.16 115.26 118.32 1xi1 n ASN 42 Ca -0.06 -3.48 -0.26 0.00 -0.02 0.00 0.00 54.58 50.76 1xi1 n ASN 42 Cb 0.65 -0.48 -0.17 0.00 -2.36 0.00 0.00 39.78 37.42 1xi1 n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xi1 s SER 43 N -3.02 2.49 0.43 0.53 0.15 -1.26 -4.65 113.70 108.37 1xi1 s SER 43 Ca 0.35 -0.60 0.11 0.00 0.70 0.00 0.00 55.95 56.50 1xi1 s SER 43 Cb 0.32 -0.50 0.95 0.00 -1.71 0.00 0.00 66.02 65.08 1xi1 s SER 43 CO -0.02 -0.29 2.03 0.25 1.20 0.00 0.00 173.24 176.41 1xi1 h LEU 44 N 8.29 0.23 -1.02 3.45 5.85 -1.94 -0.34 115.31 129.83 1xi1 h LEU 44 Ca -0.17 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1xi1 h LEU 44 Cb 1.13 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1xi1 h LEU 44 CO 0.31 0.26 0.15 0.44 -0.34 0.00 0.00 178.44 179.25 1xi1 h ASP 45 N 0.25 0.80 -0.04 1.25 5.19 -1.97 0.89 116.42 122.79 1xi1 h ASP 45 Ca 0.06 -0.14 -0.17 0.00 -0.62 0.00 0.00 57.03 56.16 1xi1 h ASP 45 Cb 0.14 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1xi1 h ASP 45 CO -0.00 0.77 -0.56 -0.08 -3.12 0.00 0.00 179.24 176.25 1xi1 h GLU 46 N 0.83 0.63 -0.13 3.56 4.81 -1.51 -1.84 114.58 120.92 1xi1 h GLU 46 Ca 0.18 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1xi1 h GLU 46 Cb 0.28 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xi1 h GLU 46 CO -0.00 1.02 -0.06 0.35 -0.73 0.00 0.00 179.01 179.58 1xi1 h PHE 47 N 0.48 0.32 -0.55 0.92 3.57 -0.89 -2.84 116.94 117.95 1xi1 h PHE 47 Ca 0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1xi1 h PHE 47 Cb 1.12 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1xi1 h PHE 47 CO 0.05 0.61 0.27 0.52 -2.23 0.00 0.00 178.31 177.54 1xi1 h MET 48 N -0.07 0.76 -0.66 1.11 2.86 -0.83 0.19 114.93 118.30 1xi1 h MET 48 Ca 0.03 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xi1 h MET 48 Cb 0.53 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1xi1 h MET 48 CO 0.02 0.58 0.41 0.00 1.06 0.00 0.00 176.91 178.98 1xi1 h ALA 49 N 1.54 0.83 -0.25 6.32 0.00 -1.29 -1.15 119.26 125.25 1xi1 h ALA 49 Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xi1 h ALA 49 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xi1 h ALA 49 CO -0.03 0.30 0.06 2.35 0.00 0.00 0.00 179.25 181.93 1xi1 h TRP 50 N 0.89 0.42 -0.64 0.00 7.01 -1.03 -2.99 115.95 119.61 1xi1 h TRP 50 Ca 0.24 -0.05 0.11 0.00 2.11 0.00 0.00 58.89 61.30 1xi1 h TRP 50 Cb -0.05 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 26.81 1xi1 h TRP 50 CO -0.02 0.49 0.20 0.28 -2.79 0.00 0.00 178.44 176.60 1xi1 h VAL 51 N 0.24 0.68 0.00 2.65 2.07 -0.03 0.03 116.25 121.89 1xi1 h VAL 51 Ca 0.08 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1xi1 h VAL 51 Cb 0.28 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1xi1 h VAL 51 CO 0.00 0.06 -0.14 -0.07 0.02 0.00 0.00 177.57 177.45 1xi1 h LEU 52 N 0.35 0.00 0.04 2.57 3.38 -1.16 -3.24 115.31 117.25 1xi1 h LEU 52 Ca 0.34 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.97 1xi1 h LEU 52 Cb 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1xi1 h LEU 52 CO -0.38 0.14 -2.00 0.29 0.09 0.00 0.00 178.44 176.58 1xi1 n LYS 53 N -3.49 0.68 0.29 1.13 5.02 -0.27 -4.61 118.16 116.92 1xi1 n LYS 53 Ca -0.01 0.22 0.17 0.00 -2.02 0.00 0.00 58.31 56.68 1xi1 n LYS 53 Cb 0.29 -1.69 0.97 0.00 -0.02 0.00 0.00 35.03 34.58 1xi1 n LYS 53 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xi1 h VAL 54 N 0.02 0.36 -6.82 -0.18 2.07 -1.08 -3.47 116.25 107.15 1xi1 h VAL 54 Ca -0.41 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.55 1xi1 h VAL 54 Cb 2.04 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 1xi1 h VAL 54 CO 0.06 0.00 -0.97 0.00 0.02 0.00 0.00 177.57 176.67 1xi1 n GLN 55 N -3.61 -1.07 -1.32 1.57 6.02 -1.25 -4.92 117.38 112.81 1xi1 n GLN 55 Ca -0.02 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1xi1 n GLN 55 Cb 0.14 -3.38 0.00 0.00 1.02 0.00 0.00 30.24 28.03 1xi1 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xi1 n ALA 56 N -4.70 0.00 -3.53 -1.58 0.00 -1.23 -4.53 120.51 104.94 1xi1 n ALA 56 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 1xi1 n ALA 56 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.93 1xi1 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xi1 s ASP 57 N -0.34 4.03 0.08 0.00 1.01 -0.08 -2.05 116.67 119.32 1xi1 s ASP 57 Ca 0.00 -0.42 0.05 0.00 0.71 0.00 0.00 52.55 52.88 1xi1 s ASP 57 Cb 0.00 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 1xi1 s ASP 57 CO 0.00 0.02 -0.02 -0.76 0.21 0.00 0.00 175.17 174.62 1xi1 s LEU 58 N 1.21 3.38 -0.06 1.23 1.43 0.43 -1.32 118.68 124.98 1xi1 s LEU 58 Ca 0.02 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1xi1 s LEU 58 Cb -0.14 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.99 1xi1 s LEU 58 CO -0.03 0.19 -0.13 -0.31 0.23 0.00 0.00 176.35 176.30 1xi1 s TYR 59 N -1.25 1.47 0.09 0.29 1.51 -0.28 0.43 117.35 119.61 1xi1 s TYR 59 Ca 0.24 -0.52 0.09 0.00 -1.01 0.00 0.00 57.07 55.87 1xi1 s TYR 59 Cb -0.12 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1xi1 s TYR 59 CO 0.16 -0.26 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.06 1xi1 s PHE 60 N 0.57 2.44 -0.49 2.71 0.40 -0.65 -0.37 117.98 122.59 1xi1 s PHE 60 Ca -0.13 -0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 55.67 1xi1 s PHE 60 Cb -0.15 -1.36 0.04 0.00 0.51 0.00 0.00 43.02 42.06 1xi1 s PHE 60 CO 0.04 0.29 0.70 -1.58 0.70 0.00 0.00 175.22 175.36 1xi1 s HIS 61 N -1.00 3.00 0.00 0.36 2.46 -1.26 -0.86 115.29 117.99 1xi1 s HIS 61 Ca 0.15 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.43 1xi1 s HIS 61 Cb -0.10 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 1xi1 s HIS 61 CO 0.06 -1.04 0.00 -1.71 -2.47 0.00 0.00 174.74 169.59 1xi1 n ASN 62 N 6.46 -1.79 0.23 9.88 5.15 -1.26 -4.90 115.26 129.03 1xi1 n ASN 62 Ca -0.03 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.11 1xi1 n ASN 62 Cb 0.47 -0.80 0.83 0.00 -0.53 0.00 0.00 39.78 39.75 1xi1 n ASN 62 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xi1 h LEU 63 N 0.00 0.00 -1.98 1.20 5.85 -1.86 -2.25 115.31 116.26 1xi1 h LEU 63 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1xi1 h LEU 63 Cb 0.89 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1xi1 h LEU 63 CO 0.00 0.00 0.48 0.50 -0.34 0.00 0.00 178.44 179.08 1xi1 h LYS 64 N 0.00 0.00 0.00 1.25 3.64 -1.93 0.93 116.57 120.47 1xi1 h LYS 64 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xi1 h LYS 64 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1xi1 h LYS 64 CO -0.00 0.00 -0.51 0.34 -2.27 0.00 0.00 179.45 177.00 1xi1 n PHE 65 N -3.98 0.77 -0.18 1.91 7.35 -0.85 -4.16 117.46 118.33 1xi1 n PHE 65 Ca 0.11 0.33 0.03 0.00 -0.76 0.00 0.00 57.45 57.16 1xi1 n PHE 65 Cb 0.71 -0.70 0.31 0.00 0.35 0.00 0.00 39.48 40.14 1xi1 n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xi1 h ALA 66 N -1.08 1.58 0.00 3.13 0.00 -1.57 -2.11 119.26 119.20 1xi1 h ALA 66 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xi1 h ALA 66 Cb 0.51 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xi1 h ALA 66 CO 0.00 0.36 -0.02 0.78 0.00 0.00 0.00 179.25 180.36 1xi1 h GLY 67 N 0.87 0.00 0.80 0.00 0.00 0.69 -2.18 103.07 103.25 1xi1 h GLY 67 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1xi1 h GLY 67 CO -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.34 1xi1 h ALA 68 N 1.98 0.28 -0.23 3.60 0.00 -1.54 -0.92 119.26 122.43 1xi1 h ALA 68 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1xi1 h ALA 68 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xi1 h ALA 68 CO 0.00 0.14 -0.17 0.74 0.00 0.00 0.00 179.25 179.96 1xi1 h PHE 69 N 0.11 0.44 -0.11 0.00 -1.00 -1.51 -1.91 116.94 112.96 1xi1 h PHE 69 Ca 0.04 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.72 1xi1 h PHE 69 Cb 0.63 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 1xi1 h PHE 69 CO 0.07 0.56 -0.04 0.82 -1.61 0.00 0.00 178.31 178.11 1xi1 h ILE 70 N 0.37 1.30 -0.75 -0.55 2.04 -1.21 -2.65 117.51 116.06 1xi1 h ILE 70 Ca 0.07 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1xi1 h ILE 70 Cb 0.52 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1xi1 h ILE 70 CO 0.03 0.29 0.25 0.40 0.00 0.00 0.00 178.15 179.12 1xi1 h ILE 71 N -0.10 1.26 -0.93 -0.67 1.08 -1.10 -1.35 117.51 115.70 1xi1 h ILE 71 Ca 0.03 -0.89 0.13 0.00 -0.39 0.00 0.00 64.86 63.73 1xi1 h ILE 71 Cb 0.47 0.41 -0.08 0.00 -3.07 0.00 0.00 36.82 34.56 1xi1 h ILE 71 CO 0.01 0.35 0.60 0.78 -0.69 0.00 0.00 178.15 179.20 1xi1 h ASN 72 N 1.12 0.79 -0.01 1.72 2.35 -1.31 -0.54 115.58 119.69 1xi1 h ASN 72 Ca 0.25 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 1xi1 h ASN 72 Cb 0.29 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1xi1 h ASN 72 CO -0.01 0.42 -0.19 -0.25 -1.65 0.00 0.00 177.43 175.74 1xi1 h TRP 73 N 0.84 0.21 -0.42 1.19 7.01 -1.05 -3.19 115.95 120.54 1xi1 h TRP 73 Ca 0.46 -0.11 0.05 0.00 2.11 0.00 0.00 58.89 61.40 1xi1 h TRP 73 Cb 0.58 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 1xi1 h TRP 73 CO -0.00 0.87 0.16 -0.07 -2.79 0.00 0.00 178.44 176.62 1xi1 h LEU 74 N -0.51 0.19 -1.92 0.65 3.38 -0.78 -2.15 115.31 114.18 1xi1 h LEU 74 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xi1 h LEU 74 Cb 0.92 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1xi1 h LEU 74 CO 0.04 0.15 -0.07 -0.33 0.09 0.00 0.00 178.44 178.32 1xi1 h GLU 75 N 0.34 0.00 0.00 1.13 4.39 -1.22 -1.46 114.58 117.76 1xi1 h GLU 75 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1xi1 h GLU 75 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1xi1 h GLU 75 CO -0.18 0.07 -0.44 0.00 -1.16 0.00 0.00 179.01 177.29 1xi1 h ARG 76 N 0.00 0.00 -1.42 2.33 3.08 -1.39 -3.38 114.38 113.59 1xi1 h ARG 76 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1xi1 h ARG 76 Cb 0.12 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.79 1xi1 h ARG 76 CO 0.01 0.00 -0.28 0.09 -1.07 0.00 0.00 179.97 178.72 1xi1 n ASN 77 N -2.23 5.53 0.00 7.04 3.02 -0.63 -4.92 115.26 123.07 1xi1 n ASN 77 Ca 0.04 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 1xi1 n ASN 77 Cb 0.45 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1xi1 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi1 n GLY 78 N -0.57 0.46 3.68 7.41 0.00 -1.24 -4.98 105.19 109.96 1xi1 n GLY 78 Ca 0.45 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 1xi1 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xi1 s PHE 79 N -1.94 3.13 0.08 1.61 0.40 -0.70 -4.82 117.98 115.74 1xi1 s PHE 79 Ca 0.00 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.53 1xi1 s PHE 79 Cb 0.00 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1xi1 s PHE 79 CO 0.00 0.46 -0.11 -1.59 0.70 0.00 0.00 175.22 174.68 1xi1 s LYS 80 N -1.05 0.81 0.32 0.44 -2.85 -1.24 -3.88 119.74 112.28 1xi1 s LYS 80 Ca 0.15 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 53.77 1xi1 s LYS 80 Cb -0.11 -0.60 -0.10 0.00 -2.06 0.00 0.00 37.83 34.96 1xi1 s LYS 80 CO 0.04 0.11 1.29 -0.46 0.10 0.00 0.00 175.35 176.43 1xi1 s TRP 81 N -1.99 3.11 -0.18 1.78 -0.00 -1.26 -2.01 118.94 118.39 1xi1 s TRP 81 Ca 0.02 1.42 -0.04 0.00 -0.00 0.00 0.00 56.10 57.49 1xi1 s TRP 81 Cb -0.06 -3.64 0.09 0.00 -0.00 0.00 0.00 33.47 29.86 1xi1 s TRP 81 CO 0.01 -1.77 0.27 0.45 -0.00 0.00 0.00 176.95 175.90 1xi1 s SER 82 N -0.44 0.78 0.50 5.86 0.15 -0.64 -4.83 113.70 115.07 1xi1 s SER 82 Ca 0.49 0.17 0.37 0.00 0.70 0.00 0.00 55.95 57.69 1xi1 s SER 82 Cb -0.39 0.64 1.28 0.00 -1.71 0.00 0.00 66.02 65.84 1xi1 s SER 82 CO 0.51 -0.29 1.28 0.00 1.20 0.00 0.00 173.24 175.94 1xi1 n ALA 83 N 5.34 1.40 -3.23 5.45 0.00 -1.26 -4.06 120.51 124.15 1xi1 n ALA 83 Ca -0.05 0.48 0.04 0.00 0.00 0.00 0.00 53.44 53.91 1xi1 n ALA 83 Cb 0.50 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1xi1 n ALA 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xi1 s ASP 84 N -3.72 -0.61 0.48 0.00 1.01 -1.26 -4.93 116.67 107.65 1xi1 s ASP 84 Ca -0.04 0.51 0.00 0.00 0.71 0.00 0.00 52.55 53.74 1xi1 s ASP 84 Cb 0.20 1.56 0.00 0.00 1.01 0.00 0.00 42.92 45.69 1xi1 s ASP 84 CO 0.66 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.53 1xi1 n GLY 85 N 5.29 0.76 1.68 0.21 0.00 -1.26 -5.05 105.19 106.83 1xi1 n GLY 85 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 1xi1 n GLY 85 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xi1 n LEU 86 N 0.00 -3.68 -4.43 0.99 7.94 -1.26 -4.68 117.00 111.87 1xi1 n LEU 86 Ca 0.00 1.00 -0.39 0.00 -1.11 0.00 0.00 56.01 55.52 1xi1 n LEU 86 Cb 0.00 -1.86 0.03 0.00 0.53 0.00 0.00 43.42 42.12 1xi1 n LEU 86 CO 0.00 -1.30 -0.04 -2.65 -1.11 0.00 0.00 177.39 172.29 1xi1 n PRO 87 N 0.68 0.44 -3.10 1.96 -0.02 -1.26 -2.53 135.00 131.16 1xi1 n PRO 87 Ca -0.07 0.17 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 1xi1 n PRO 87 Cb 0.11 -1.58 0.04 0.00 -0.02 0.00 0.00 33.50 32.05 1xi1 n PRO 87 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xi1 n ASN 88 N 0.87 -6.07 -4.18 2.55 4.13 -0.94 -4.86 115.26 106.76 1xi1 n ASN 88 Ca 0.11 -0.32 -0.12 0.00 1.68 0.00 0.00 54.58 55.93 1xi1 n ASN 88 Cb 0.47 -4.89 -0.10 0.00 -1.54 0.00 0.00 39.78 33.72 1xi1 n ASN 88 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1xi1 s THR 89 N -3.19 0.00 -0.01 3.41 -4.23 -1.05 -3.61 115.64 106.97 1xi1 s THR 89 Ca 0.34 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1xi1 s THR 89 Cb -0.15 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1xi1 s THR 89 CO 0.42 -0.02 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.75 1xi1 s TYR 90 N -4.15 0.20 0.32 3.99 -0.85 -0.85 -1.07 117.35 114.95 1xi1 s TYR 90 Ca 0.37 -0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.96 1xi1 s TYR 90 Cb 0.06 -0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.23 1xi1 s TYR 90 CO 0.11 -0.02 0.38 1.21 -1.52 0.00 0.00 175.55 175.71 1xi1 s ASN 91 N 0.11 5.72 0.20 -0.18 2.47 -0.04 -1.62 114.94 121.60 1xi1 s ASN 91 Ca -0.01 -0.28 -0.08 0.00 0.42 0.00 0.00 52.86 52.91 1xi1 s ASN 91 Cb -0.03 -1.20 -0.02 0.00 -1.45 0.00 0.00 41.25 38.56 1xi1 s ASN 91 CO -0.00 -0.35 0.31 0.42 -3.72 0.00 0.00 177.10 173.76 1xi1 s THR 92 N -2.20 0.03 -0.34 -5.21 -4.23 -1.26 -1.53 115.64 100.90 1xi1 s THR 92 Ca 0.42 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1xi1 s THR 92 Cb -0.08 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.75 1xi1 s THR 92 CO 0.29 -0.12 0.21 -0.63 -0.54 0.00 0.00 174.62 173.83 1xi1 s ILE 93 N -4.04 0.04 -0.11 2.99 1.01 -0.68 -4.97 121.20 115.44 1xi1 s ILE 93 Ca 0.25 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.49 1xi1 s ILE 93 Cb 0.03 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1xi1 s ILE 93 CO 0.06 -0.89 -0.18 -0.63 0.00 0.00 0.00 174.94 173.30 1xi1 s ILE 94 N 1.34 1.67 0.88 2.92 1.01 -1.26 -0.43 121.20 127.32 1xi1 s ILE 94 Ca 0.16 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1xi1 s ILE 94 Cb -0.21 -1.50 0.12 0.00 0.01 0.00 0.00 42.46 40.88 1xi1 s ILE 94 CO -0.08 0.47 1.14 -0.94 0.00 0.00 0.00 174.94 175.54 1xi1 s SER 95 N 0.83 3.81 0.43 3.58 1.04 -0.14 -1.73 113.70 121.52 1xi1 s SER 95 Ca -0.09 0.96 0.11 0.00 0.48 0.00 0.00 55.95 57.41 1xi1 s SER 95 Cb -0.16 -1.54 0.97 0.00 0.10 0.00 0.00 66.02 65.40 1xi1 s SER 95 CO 0.00 -2.36 2.01 -0.09 0.98 0.00 0.00 173.24 173.78 1xi1 h ARG 96 N -1.36 0.44 -0.07 4.02 2.43 -1.88 -0.46 114.38 117.49 1xi1 h ARG 96 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1xi1 h ARG 96 Cb 1.33 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1xi1 h ARG 96 CO 0.63 0.29 0.00 -1.33 -1.51 0.00 0.00 179.97 178.05 1xi1 n MET 97 N -4.47 1.51 -0.44 0.20 2.81 -1.26 -4.87 117.12 110.60 1xi1 n MET 97 Ca 0.07 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1xi1 n MET 97 Cb 0.26 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1xi1 n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xi1 n GLY 98 N 1.08 0.85 3.65 3.03 0.00 -0.18 -5.07 105.19 108.54 1xi1 n GLY 98 Ca 0.18 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1xi1 n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xi1 s GLN 99 N -0.96 4.14 -0.10 1.61 -0.21 -1.26 -4.81 119.66 118.07 1xi1 s GLN 99 Ca 0.00 0.28 -0.21 0.00 0.02 0.00 0.00 55.36 55.45 1xi1 s GLN 99 Cb 0.00 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 1xi1 s GLN 99 CO 0.00 -0.17 0.60 -1.58 -2.12 0.00 0.00 175.29 172.02 1xi1 s TRP 100 N 1.73 3.54 -0.01 0.91 0.52 -1.26 -0.97 118.94 123.39 1xi1 s TRP 100 Ca 0.21 1.08 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1xi1 s TRP 100 Cb -0.15 -2.70 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 1xi1 s TRP 100 CO 0.09 0.11 0.01 0.66 0.02 0.00 0.00 176.95 177.83 1xi1 n TYR 101 N 3.80 0.00 -3.59 -1.98 4.02 0.43 -4.72 117.16 115.12 1xi1 n TYR 101 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.74 1xi1 n TYR 101 Cb 0.51 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.73 1xi1 n TYR 101 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1xi1 s MET 102 N -2.03 0.63 -0.22 -0.72 -2.45 -1.18 -3.82 119.30 109.52 1xi1 s MET 102 Ca -0.00 0.29 -0.01 0.00 -1.25 0.00 0.00 55.69 54.72 1xi1 s MET 102 Cb 0.00 0.30 0.06 0.00 1.25 0.00 0.00 34.83 36.44 1xi1 s MET 102 CO 0.04 -0.17 -0.02 0.42 1.05 0.00 0.00 175.02 176.34 1xi1 s ILE 103 N -0.75 1.15 -0.25 10.11 1.01 -0.23 -1.69 121.20 130.56 1xi1 s ILE 103 Ca -0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 1xi1 s ILE 103 Cb -0.02 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1xi1 s ILE 103 CO 0.01 -0.12 0.11 -0.62 0.00 0.00 0.00 174.94 174.31 1xi1 s ASP 104 N 1.57 5.50 -0.23 3.58 3.68 -0.58 0.05 116.67 130.24 1xi1 s ASP 104 Ca -0.04 -0.10 -0.05 0.00 2.13 0.00 0.00 52.55 54.50 1xi1 s ASP 104 Cb -0.18 -1.99 -0.01 0.00 -1.45 0.00 0.00 42.92 39.28 1xi1 s ASP 104 CO -0.07 -0.01 -0.01 -0.63 0.13 0.00 0.00 175.17 174.59 1xi1 s ILE 105 N 1.47 3.66 -0.05 4.11 1.01 -0.60 -0.86 121.20 129.94 1xi1 s ILE 105 Ca 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 1xi1 s ILE 105 Cb -0.15 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1xi1 s ILE 105 CO 0.05 0.39 0.08 0.00 0.00 0.00 0.00 174.94 175.47 1xi1 n LEU 107 N 1.56 1.50 0.00 0.00 4.77 -0.41 -2.20 117.00 122.22 1xi1 n LEU 107 Ca -0.16 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1xi1 n LEU 107 Cb 0.53 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1xi1 n LEU 107 CO 0.35 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1xi1 n GLY 108 N -0.44 -1.61 3.65 -0.72 0.00 -1.26 -4.72 105.19 100.09 1xi1 n GLY 108 Ca 0.10 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1xi1 n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xi1 s TYR 109 N 0.00 1.82 -0.29 1.61 1.51 -1.26 0.53 117.35 121.26 1xi1 s TYR 109 Ca 0.00 -1.13 0.02 0.00 -1.01 0.00 0.00 57.07 54.95 1xi1 s TYR 109 Cb 0.00 -1.39 0.19 0.00 -0.11 0.00 0.00 41.96 40.65 1xi1 s TYR 109 CO 0.00 -0.03 0.59 0.21 -1.11 0.00 0.00 175.55 175.20 1xi1 s LYS 110 N -3.79 0.56 -0.78 -0.62 2.20 0.01 -4.79 119.74 112.53 1xi1 s LYS 110 Ca 0.14 0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 56.50 1xi1 s LYS 110 Cb 0.02 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1xi1 s LYS 110 CO 0.08 -0.81 0.53 0.41 -0.36 0.00 0.00 175.35 175.21 1xi1 n GLY 111 N 5.42 0.10 2.22 5.54 0.00 -1.26 -3.22 105.19 113.99 1xi1 n GLY 111 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1xi1 n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xi1 n LYS 112 N -2.79 -0.53 -4.34 1.61 5.02 -1.26 -5.02 118.16 110.85 1xi1 n LYS 112 Ca -0.02 0.74 -0.23 0.00 -2.02 0.00 0.00 58.31 56.78 1xi1 n LYS 112 Cb 0.55 -4.54 -0.17 0.00 -0.02 0.00 0.00 35.03 30.85 1xi1 n LYS 112 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1xi1 s ARG 113 N -2.55 1.35 0.43 1.97 1.70 -1.20 -5.11 118.95 115.54 1xi1 s ARG 113 Ca 0.00 -0.27 -0.23 0.00 -0.47 0.00 0.00 55.73 54.75 1xi1 s ARG 113 Cb 0.00 -1.22 -0.08 0.00 -0.57 0.00 0.00 34.95 33.08 1xi1 s ARG 113 CO 0.00 -0.05 1.08 -1.59 -1.08 0.00 0.00 175.30 173.66 1xi1 s LYS 114 N 0.91 3.98 -0.41 3.89 -2.85 -1.26 -0.81 119.74 123.18 1xi1 s LYS 114 Ca -0.11 1.57 -0.13 0.00 -1.00 0.00 0.00 55.97 56.31 1xi1 s LYS 114 Cb -0.15 -2.43 0.04 0.00 -2.06 0.00 0.00 37.83 33.23 1xi1 s LYS 114 CO 0.01 -0.32 0.29 0.42 0.10 0.00 0.00 175.35 175.85 1xi1 s ILE 115 N -1.67 4.92 0.33 3.79 -1.09 0.19 -4.90 121.20 122.77 1xi1 s ILE 115 Ca 0.61 -0.89 -0.10 0.00 -2.23 0.00 0.00 60.65 58.05 1xi1 s ILE 115 Cb -0.23 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1xi1 s ILE 115 CO 0.29 -0.36 0.58 -1.38 -1.23 0.00 0.00 174.94 172.83 1xi1 s HIS 116 N 1.60 0.57 -0.11 3.97 -3.43 -1.26 -1.29 115.29 115.34 1xi1 s HIS 116 Ca 0.04 -0.97 -0.02 0.00 -0.80 0.00 0.00 55.06 53.30 1xi1 s HIS 116 Cb -0.21 0.28 0.04 0.00 -1.43 0.00 0.00 32.58 31.27 1xi1 s HIS 116 CO 0.07 -1.24 0.03 0.99 -2.00 0.00 0.00 174.74 172.60 1xi1 s THR 117 N -3.10 0.27 -0.13 -5.38 2.01 -0.89 -3.58 115.64 104.85 1xi1 s THR 117 Ca 0.23 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 1xi1 s THR 117 Cb -0.02 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1xi1 s THR 117 CO 0.15 0.07 0.08 -0.69 -0.69 0.00 0.00 174.62 173.53 1xi1 s VAL 118 N 2.00 4.95 -0.10 3.82 1.01 -0.87 -1.55 120.40 129.66 1xi1 s VAL 118 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xi1 s VAL 118 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1xi1 s VAL 118 CO -0.06 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.88 1xi1 s ILE 119 N -0.49 3.52 0.37 2.22 1.01 0.11 -0.43 121.20 127.51 1xi1 s ILE 119 Ca 0.10 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1xi1 s ILE 119 Cb -0.12 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1xi1 s ILE 119 CO 0.02 0.56 0.06 -0.31 0.00 0.00 0.00 174.94 175.27 1xi1 s TYR 120 N -0.26 2.00 -0.31 3.97 1.51 0.17 -1.07 117.35 123.36 1xi1 s TYR 120 Ca 0.03 -0.98 -0.09 0.00 -1.01 0.00 0.00 57.07 55.02 1xi1 s TYR 120 Cb -0.13 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.36 1xi1 s TYR 120 CO 0.03 0.03 0.14 0.34 -1.11 0.00 0.00 175.55 174.98 1xi1 s ASP 121 N -3.57 5.49 0.52 2.29 2.15 -1.25 -1.63 116.67 120.66 1xi1 s ASP 121 Ca 0.31 -0.56 0.30 0.00 0.43 0.00 0.00 52.55 53.03 1xi1 s ASP 121 Cb 0.07 -1.98 1.27 0.00 -0.30 0.00 0.00 42.92 41.98 1xi1 s ASP 121 CO 0.15 -0.20 1.96 0.77 -0.17 0.00 0.00 175.17 177.68 1xi1 h SER 122 N 8.34 0.00 0.24 -0.34 4.64 -1.33 -2.11 113.55 122.99 1xi1 h SER 122 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1xi1 h SER 122 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1xi1 h SER 122 CO 0.61 0.09 0.00 -0.11 -0.87 0.00 0.00 176.83 176.56 1xi1 n LEU 123 N -3.26 0.22 0.09 5.97 7.94 -1.26 -1.02 117.00 125.68 1xi1 n LEU 123 Ca -0.00 0.58 0.11 0.00 -1.11 0.00 0.00 56.01 55.59 1xi1 n LEU 123 Cb 0.33 -0.58 -0.02 0.00 0.53 0.00 0.00 43.42 43.68 1xi1 n LEU 123 CO 0.29 -0.54 -0.06 0.29 -1.11 0.00 0.00 177.39 176.26 1xi1 n LYS 124 N -1.77 0.61 -0.08 1.96 4.76 -0.79 -3.29 118.16 119.56 1xi1 n LYS 124 Ca 0.01 0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.44 1xi1 n LYS 124 Cb 0.09 -1.80 -0.15 0.00 -1.84 0.00 0.00 35.03 31.33 1xi1 n LYS 124 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xi1 n LYS 125 N -2.65 0.67 -3.63 1.97 5.02 -0.19 -1.70 118.16 117.66 1xi1 n LYS 125 Ca -0.01 0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 1xi1 n LYS 125 Cb 0.56 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 1xi1 n LYS 125 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xi1 s LEU 126 N -5.77 2.32 0.00 -0.35 1.43 -0.21 -4.48 118.68 111.61 1xi1 s LEU 126 Ca -0.11 -2.71 -0.02 0.00 -1.03 0.00 0.00 54.13 50.26 1xi1 s LEU 126 Cb 0.07 -0.86 -0.10 0.00 0.03 0.00 0.00 46.19 45.32 1xi1 s LEU 126 CO 0.81 -0.24 1.87 -0.81 0.23 0.00 0.00 176.35 178.20 1xi1 n PRO 127 N 3.40 0.92 -4.11 1.29 -0.04 -1.21 -4.39 135.00 130.87 1xi1 n PRO 127 Ca 0.14 -0.38 -0.10 0.00 -0.04 0.00 0.00 63.50 63.11 1xi1 n PRO 127 Cb 0.37 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 1xi1 n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xi1 s PHE 128 N 1.61 0.80 0.74 0.54 0.40 -1.26 -5.09 117.98 115.71 1xi1 s PHE 128 Ca 0.25 -1.14 -0.12 0.00 -0.60 0.00 0.00 56.93 55.33 1xi1 s PHE 128 Cb 0.12 -0.37 0.04 0.00 0.51 0.00 0.00 43.02 43.32 1xi1 s PHE 128 CO 0.00 -0.62 1.10 -2.14 0.70 0.00 0.00 175.22 174.26 1xi1 s PRO 129 N -4.06 2.42 0.16 0.24 0.02 -1.26 -4.81 135.00 127.71 1xi1 s PRO 129 Ca 0.26 1.26 -0.16 0.00 0.02 0.00 0.00 61.00 62.39 1xi1 s PRO 129 Cb 0.06 -1.91 0.07 0.00 0.02 0.00 0.00 34.50 32.74 1xi1 s PRO 129 CO 0.04 -1.53 1.75 0.28 -0.33 0.00 0.00 177.00 177.21 1xi1 h VAL 130 N -0.73 0.88 0.23 3.83 2.07 -1.99 -0.80 116.25 119.74 1xi1 h VAL 130 Ca -0.45 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1xi1 h VAL 130 Cb 1.24 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1xi1 h VAL 130 CO 0.52 0.05 -0.29 0.11 0.02 0.00 0.00 177.57 177.98 1xi1 h LYS 131 N 0.26 -0.55 -0.39 1.57 1.79 -1.99 -0.06 116.57 117.20 1xi1 h LYS 131 Ca 0.17 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.76 1xi1 h LYS 131 Cb 0.16 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 30.85 1xi1 h LYS 131 CO -0.18 -0.37 -0.18 -0.22 -1.08 0.00 0.00 179.45 177.42 1xi1 h LYS 132 N -0.58 -0.10 -0.78 3.15 3.64 -1.87 0.13 116.57 120.16 1xi1 h LYS 132 Ca 0.00 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1xi1 h LYS 132 Cb 0.55 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 1xi1 h LYS 132 CO -0.10 -0.07 0.52 0.82 -2.27 0.00 0.00 179.45 178.35 1xi1 h ILE 133 N -0.11 0.80 -0.24 2.00 2.04 -0.64 0.49 117.51 121.85 1xi1 h ILE 133 Ca 0.19 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1xi1 h ILE 133 Cb 0.40 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1xi1 h ILE 133 CO -0.45 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 177.71 1xi1 h ALA 134 N 1.63 0.34 0.41 1.87 0.00 0.11 -1.65 119.26 121.98 1xi1 h ALA 134 Ca 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xi1 h ALA 134 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xi1 h ALA 134 CO -0.14 0.15 -0.20 -0.22 0.00 0.00 0.00 179.25 178.85 1xi1 h LYS 135 N 0.21 -0.53 -0.17 0.00 3.64 -0.13 0.25 116.57 119.85 1xi1 h LYS 135 Ca 0.06 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1xi1 h LYS 135 Cb 0.55 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1xi1 h LYS 135 CO 0.03 -0.22 0.02 -0.44 -2.27 0.00 0.00 179.45 176.56 1xi1 h ASP 136 N -0.88 0.22 -0.17 4.20 3.32 -1.05 -2.44 116.42 119.63 1xi1 h ASP 136 Ca -0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xi1 h ASP 136 Cb 0.55 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1xi1 h ASP 136 CO 0.09 0.26 0.00 0.49 -1.72 0.00 0.00 179.24 178.36 1xi1 n PHE 137 N -4.41 0.20 -3.15 4.55 3.01 -0.62 -3.61 117.46 113.44 1xi1 n PHE 137 Ca -0.00 -0.10 -0.14 0.00 1.01 0.00 0.00 57.45 58.22 1xi1 n PHE 137 Cb 0.16 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.70 1xi1 n PHE 137 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xi1 n LYS 138 N 0.70 -5.32 -4.69 -1.08 4.76 -0.87 -3.97 118.16 107.69 1xi1 n LYS 138 Ca 0.17 0.67 -0.33 0.00 -2.87 0.00 0.00 58.31 55.95 1xi1 n LYS 138 Cb 0.44 -5.17 -0.13 0.00 -1.84 0.00 0.00 35.03 28.33 1xi1 n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xi1 s LEU 139 N -5.49 2.95 0.02 -0.35 1.43 0.84 -5.05 118.68 113.03 1xi1 s LEU 139 Ca 0.03 -0.17 -0.33 0.00 -1.03 0.00 0.00 54.13 52.63 1xi1 s LEU 139 Cb -0.01 -1.65 -0.12 0.00 0.03 0.00 0.00 46.19 44.43 1xi1 s LEU 139 CO 0.58 0.26 1.81 0.41 0.23 0.00 0.00 176.35 179.65 1xi1 n THR 140 N 2.88 0.43 -4.75 5.49 -1.04 -1.26 -4.59 114.28 111.44 1xi1 n THR 140 Ca -0.18 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.05 61.49 1xi1 n THR 140 Cb 0.53 -1.89 -0.17 0.00 -1.82 0.00 0.00 70.33 66.98 1xi1 n THR 140 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xi1 s VAL 141 N 3.16 1.36 0.11 12.58 0.11 -1.26 -4.88 120.40 131.59 1xi1 s VAL 141 Ca 0.87 -0.63 -0.31 0.00 -2.93 0.00 0.00 61.98 58.99 1xi1 s VAL 141 Cb -0.63 -1.21 -0.08 0.00 -1.53 0.00 0.00 36.38 32.94 1xi1 s VAL 141 CO 0.45 0.40 1.37 -0.76 -3.33 0.00 0.00 175.10 173.24 1xi1 s LEU 142 N 0.46 4.37 0.11 2.54 1.43 -1.26 -4.97 118.68 121.37 1xi1 s LEU 142 Ca -0.13 2.30 -0.31 0.00 -1.03 0.00 0.00 54.13 54.96 1xi1 s LEU 142 Cb -0.15 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 1xi1 s LEU 142 CO 0.04 -0.64 1.42 -0.54 0.23 0.00 0.00 176.35 176.87 1xi1 s LYS 143 N 1.06 4.30 0.44 1.70 3.01 -1.26 -4.80 119.74 124.20 1xi1 s LYS 143 Ca 0.64 2.11 0.00 0.00 -1.01 0.00 0.00 55.97 57.71 1xi1 s LYS 143 Cb -0.36 -3.27 0.00 0.00 -1.01 0.00 0.00 37.83 33.19 1xi1 s LYS 143 CO 0.30 -0.48 0.00 0.41 0.51 0.00 0.00 175.35 176.10 1xi1 n GLY 144 N 3.55 -2.22 3.45 -3.33 0.00 -1.26 -5.07 105.19 100.31 1xi1 n GLY 144 Ca 0.12 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1xi1 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xi1 s ASP 145 N -3.32 -0.53 0.42 1.61 -1.08 -1.26 -5.12 116.67 107.39 1xi1 s ASP 145 Ca 0.00 -0.02 -0.23 0.00 -0.52 0.00 0.00 52.55 51.78 1xi1 s ASP 145 Cb 0.00 0.58 -0.12 0.00 -1.46 0.00 0.00 42.92 41.91 1xi1 s ASP 145 CO 0.00 -0.94 0.63 -0.38 0.52 0.00 0.00 175.17 175.01 1xi1 n ILE 146 N -0.37 1.93 -2.26 4.11 5.41 -1.26 -4.77 119.36 122.15 1xi1 n ILE 146 Ca -0.15 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.76 1xi1 n ILE 146 Cb 0.64 -0.65 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 1xi1 n ILE 146 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xi1 s ASP 147 N -0.92 5.69 0.57 4.38 3.68 -1.26 -4.77 116.67 124.04 1xi1 s ASP 147 Ca 0.63 -1.81 0.41 0.00 2.13 0.00 0.00 52.55 53.92 1xi1 s ASP 147 Cb -0.60 -2.58 1.48 0.00 -1.45 0.00 0.00 42.92 39.77 1xi1 s ASP 147 CO 0.58 -2.36 1.56 1.88 0.13 0.00 0.00 175.17 176.95 1xi1 h TYR 148 N 9.20 0.00 -2.37 -5.34 0.99 -2.00 -2.23 116.97 115.22 1xi1 h TYR 148 Ca 0.28 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.39 1xi1 h TYR 148 Cb 0.93 0.00 -0.41 0.00 1.00 0.00 0.00 36.73 38.25 1xi1 h TYR 148 CO 1.28 0.00 -0.47 -2.39 -0.00 0.00 0.00 178.16 176.58 1xi1 n HIS 149 N -3.78 3.53 -4.83 4.88 1.44 -1.26 -4.82 115.22 110.38 1xi1 n HIS 149 Ca 0.34 -4.06 -0.28 0.00 -2.01 0.00 0.00 57.72 51.71 1xi1 n HIS 149 Cb 1.68 -0.64 -0.15 0.00 0.12 0.00 0.00 29.99 31.01 1xi1 n HIS 149 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1xi1 s LYS 150 N -2.37 1.62 0.04 -1.40 2.20 -0.84 -5.09 119.74 113.89 1xi1 s LYS 150 Ca 0.37 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.71 1xi1 s LYS 150 Cb 0.12 -1.72 -0.08 0.00 -1.51 0.00 0.00 37.83 34.63 1xi1 s LYS 150 CO -0.02 0.45 1.84 -1.21 -0.36 0.00 0.00 175.35 176.04 1xi1 s GLU 151 N -1.06 4.16 -0.47 4.03 2.02 -1.26 -4.96 118.70 121.15 1xi1 s GLU 151 Ca 0.09 2.48 0.03 0.00 0.02 0.00 0.00 54.97 57.60 1xi1 s GLU 151 Cb -0.09 -3.95 0.15 0.00 0.10 0.00 0.00 34.13 30.34 1xi1 s GLU 151 CO 0.01 -0.88 0.32 1.03 0.02 0.00 0.00 175.26 175.76 1xi1 s ARG 152 N 3.83 1.30 0.90 1.61 0.52 -1.26 -5.10 118.95 120.74 1xi1 s ARG 152 Ca 0.82 -2.21 -0.12 0.00 -0.52 0.00 0.00 55.73 53.70 1xi1 s ARG 152 Cb -0.41 -2.12 0.13 0.00 0.52 0.00 0.00 34.95 33.07 1xi1 s ARG 152 CO 0.37 -1.26 1.11 -1.25 0.02 0.00 0.00 175.30 174.29 1xi1 s PRO 153 N 0.01 1.23 0.29 3.54 0.04 -1.26 -4.87 135.00 133.97 1xi1 s PRO 153 Ca 0.24 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1xi1 s PRO 153 Cb -0.11 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 1xi1 s PRO 153 CO -0.09 -2.18 1.62 0.28 0.04 0.00 0.00 177.00 176.66 1xi1 n VAL 154 N -3.80 0.91 0.00 -0.36 0.31 -1.26 -1.18 118.33 112.96 1xi1 n VAL 154 Ca 0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1xi1 n VAL 154 Cb 0.57 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1xi1 n VAL 154 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xi1 n GLY 155 N 2.36 0.16 3.64 2.92 0.00 -1.26 -5.05 105.19 107.95 1xi1 n GLY 155 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 1xi1 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xi1 n TYR 156 N -1.87 1.82 -3.66 1.61 9.36 -0.32 -4.96 117.16 119.14 1xi1 n TYR 156 Ca 0.00 0.53 -0.37 0.00 3.32 0.00 0.00 57.90 61.38 1xi1 n TYR 156 Cb 0.00 -2.39 -0.11 0.00 -0.63 0.00 0.00 39.34 36.21 1xi1 n TYR 156 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1xi1 s LYS 157 N -0.46 3.90 -0.07 2.98 2.36 -1.26 -4.97 119.74 122.21 1xi1 s LYS 157 Ca 0.69 -0.35 -0.30 0.00 -2.55 0.00 0.00 55.97 53.47 1xi1 s LYS 157 Cb -0.72 -3.54 -0.06 0.00 -1.05 0.00 0.00 37.83 32.46 1xi1 s LYS 157 CO 0.51 -0.13 1.73 0.42 1.55 0.00 0.00 175.35 179.43 1xi1 s ILE 158 N 1.57 3.47 0.64 5.43 1.01 -1.26 -4.97 121.20 127.09 1xi1 s ILE 158 Ca 0.07 0.56 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 1xi1 s ILE 158 Cb -0.15 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1xi1 s ILE 158 CO 0.08 -0.08 1.08 0.42 0.00 0.00 0.00 174.94 176.43 1xi1 s THR 159 N 4.48 3.63 0.41 2.92 -4.23 -1.26 -4.79 115.64 116.80 1xi1 s THR 159 Ca 0.77 0.71 0.15 0.00 -1.18 0.00 0.00 61.69 62.14 1xi1 s THR 159 Cb -0.34 -3.26 0.36 0.00 1.34 0.00 0.00 72.50 70.61 1xi1 s THR 159 CO 0.32 -0.52 1.87 -0.65 -0.54 0.00 0.00 174.62 175.11 1xi1 h PRO 160 N 0.01 0.45 0.57 3.99 0.11 -1.98 0.86 132.00 136.00 1xi1 h PRO 160 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xi1 h PRO 160 Cb 1.23 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1xi1 h PRO 160 CO 0.56 0.30 -0.27 1.49 -0.21 0.00 0.00 178.00 179.86 1xi1 h GLU 161 N 0.46 -0.73 -1.00 1.05 4.81 -2.00 -2.67 114.58 114.50 1xi1 h GLU 161 Ca 0.44 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.86 1xi1 h GLU 161 Cb 0.99 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1xi1 h GLU 161 CO -0.17 -0.42 0.62 0.93 -0.73 0.00 0.00 179.01 179.24 1xi1 h GLU 162 N -1.01 0.90 -0.63 1.92 5.08 -1.81 -0.18 114.58 118.84 1xi1 h GLU 162 Ca -0.08 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1xi1 h GLU 162 Cb 0.65 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1xi1 h GLU 162 CO 0.13 0.59 0.42 -0.92 -1.00 0.00 0.00 179.01 178.23 1xi1 h TYR 163 N 0.92 0.52 0.00 4.33 3.20 -0.75 -1.63 116.97 123.56 1xi1 h TYR 163 Ca 0.52 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.26 1xi1 h TYR 163 Cb 0.60 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1xi1 h TYR 163 CO -0.01 0.25 -0.70 0.00 -1.64 0.00 0.00 178.16 176.06 1xi1 h ALA 164 N 1.68 0.55 -0.23 1.82 0.00 -0.68 -2.80 119.26 119.60 1xi1 h ALA 164 Ca 0.29 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1xi1 h ALA 164 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xi1 h ALA 164 CO -0.09 0.87 -0.46 1.88 0.00 0.00 0.00 179.25 181.45 1xi1 h TYR 165 N 0.00 0.72 -0.13 0.00 -1.99 -1.03 -0.27 116.97 114.27 1xi1 h TYR 165 Ca -0.01 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 60.45 1xi1 h TYR 165 Cb 1.53 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 40.11 1xi1 h TYR 165 CO 0.00 0.94 -0.07 0.82 -0.00 0.00 0.00 178.16 179.85 1xi1 h ILE 166 N 0.48 1.32 -0.70 -2.88 2.04 -1.49 -0.78 117.51 115.50 1xi1 h ILE 166 Ca 0.03 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.79 1xi1 h ILE 166 Cb 0.98 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 1xi1 h ILE 166 CO 0.09 0.33 0.45 0.50 0.00 0.00 0.00 178.15 179.51 1xi1 h LYS 167 N -0.07 0.85 0.07 2.37 3.64 -1.43 -1.91 116.57 120.10 1xi1 h LYS 167 Ca 0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xi1 h LYS 167 Cb 0.55 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xi1 h LYS 167 CO 0.02 0.56 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.76 1xi1 h ASN 168 N 0.88 -0.08 -0.47 4.20 -0.00 -0.94 -0.21 115.58 118.96 1xi1 h ASN 168 Ca 0.28 -0.13 0.07 0.00 -0.00 0.00 0.00 56.30 56.51 1xi1 h ASN 168 Cb -0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 38.32 38.28 1xi1 h ASN 168 CO -0.10 0.08 0.13 0.44 -0.00 0.00 0.00 177.43 177.99 1xi1 h ASP 169 N -0.25 0.10 1.32 1.15 3.32 -0.91 0.11 116.42 121.27 1xi1 h ASP 169 Ca -0.01 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1xi1 h ASP 169 Cb 0.21 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1xi1 h ASP 169 CO 0.02 0.08 -0.16 0.16 -1.72 0.00 0.00 179.24 177.62 1xi1 h ILE 170 N 0.29 0.34 0.05 0.35 3.07 -1.31 -3.11 117.51 117.19 1xi1 h ILE 170 Ca 0.23 -1.14 -0.27 0.00 1.55 0.00 0.00 64.86 65.23 1xi1 h ILE 170 Cb 0.26 1.88 0.02 0.00 -0.27 0.00 0.00 36.82 38.72 1xi1 h ILE 170 CO -0.26 0.16 -1.08 -0.61 -1.05 0.00 0.00 178.15 175.31 1xi1 h GLN 171 N 0.00 0.64 -0.78 0.16 4.15 0.31 -1.64 115.11 117.95 1xi1 h GLN 171 Ca -0.00 -0.76 0.08 0.00 0.77 0.00 0.00 58.65 58.74 1xi1 h GLN 171 Cb 0.87 0.23 -0.07 0.00 0.21 0.00 0.00 27.48 28.73 1xi1 h GLN 171 CO 0.02 1.33 0.45 0.82 -1.93 0.00 0.00 178.83 179.52 1xi1 h ILE 172 N 0.29 0.95 -0.22 2.39 2.04 -0.80 0.19 117.51 122.34 1xi1 h ILE 172 Ca -0.15 -0.27 -0.18 0.00 1.00 0.00 0.00 64.86 65.26 1xi1 h ILE 172 Cb 1.75 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1xi1 h ILE 172 CO 0.21 0.14 -0.59 0.40 0.00 0.00 0.00 178.15 178.32 1xi1 h ILE 173 N 0.79 1.30 -0.83 -0.67 1.08 -1.56 -2.65 117.51 114.97 1xi1 h ILE 173 Ca 0.36 -1.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.01 1xi1 h ILE 173 Cb 0.28 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.74 1xi1 h ILE 173 CO -0.22 0.58 0.48 0.00 -0.69 0.00 0.00 178.15 178.30 1xi1 h ALA 174 N 0.80 1.29 -0.19 1.87 0.00 -0.24 -0.19 119.26 122.60 1xi1 h ALA 174 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1xi1 h ALA 174 Cb 1.17 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xi1 h ALA 174 CO 0.12 0.60 -0.29 0.93 0.00 0.00 0.00 179.25 180.60 1xi1 h GLU 175 N 1.15 0.53 0.36 0.00 5.08 -0.63 -2.26 114.58 118.80 1xi1 h GLU 175 Ca 0.30 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1xi1 h GLU 175 Cb -0.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xi1 h GLU 175 CO -0.05 0.92 -0.17 0.00 -1.00 0.00 0.00 179.01 178.71 1xi1 h ALA 176 N 0.60 -0.48 -0.82 3.43 0.00 -1.22 -1.07 119.26 119.70 1xi1 h ALA 176 Ca 0.02 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1xi1 h ALA 176 Cb 0.87 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1xi1 h ALA 176 CO 0.07 -0.75 0.50 -0.07 0.00 0.00 0.00 179.25 178.99 1xi1 h LEU 177 N -0.51 0.77 0.29 0.00 3.38 -1.11 -0.39 115.31 117.73 1xi1 h LEU 177 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xi1 h LEU 177 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xi1 h LEU 177 CO 0.08 0.49 -0.18 0.25 0.09 0.00 0.00 178.44 179.16 1xi1 h LEU 178 N 0.90 -0.46 -0.77 1.67 5.85 -1.11 0.34 115.31 121.73 1xi1 h LEU 178 Ca 0.37 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.23 1xi1 h LEU 178 Cb 0.20 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1xi1 h LEU 178 CO -0.18 -0.29 0.39 0.40 -0.34 0.00 0.00 178.44 178.41 1xi1 h ILE 179 N -0.46 0.81 -0.27 4.05 2.04 -0.89 0.18 117.51 122.97 1xi1 h ILE 179 Ca -0.03 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1xi1 h ILE 179 Cb 0.38 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1xi1 h ILE 179 CO 0.02 0.11 0.14 -0.61 0.00 0.00 0.00 178.15 177.81 1xi1 h GLN 180 N 0.63 0.39 -0.02 2.37 4.15 -0.55 -2.67 115.11 119.40 1xi1 h GLN 180 Ca 0.39 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.67 1xi1 h GLN 180 Cb 0.45 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1xi1 h GLN 180 CO -0.30 0.36 -0.41 0.74 -1.93 0.00 0.00 178.83 177.29 1xi1 h PHE 181 N 0.31 0.04 0.00 3.99 -1.00 0.10 -2.28 116.94 118.10 1xi1 h PHE 181 Ca 0.09 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1xi1 h PHE 181 Cb 0.10 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1xi1 h PHE 181 CO -0.02 0.44 0.00 1.63 -1.61 0.00 0.00 178.31 178.75 1xi1 n LYS 182 N -4.05 0.18 -0.56 1.51 5.02 0.48 -2.25 118.16 118.49 1xi1 n LYS 182 Ca -0.02 0.34 0.09 0.00 -2.02 0.00 0.00 58.31 56.70 1xi1 n LYS 182 Cb 0.44 -1.80 0.34 0.00 -0.02 0.00 0.00 35.03 33.99 1xi1 n LYS 182 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xi1 n GLN 183 N -2.13 3.49 -1.00 1.97 1.13 -0.89 -4.93 117.38 115.03 1xi1 n GLN 183 Ca 0.03 -2.69 0.00 0.00 -1.94 0.00 0.00 57.00 52.40 1xi1 n GLN 183 Cb 0.28 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 28.79 1xi1 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xi1 n GLY 184 N 1.17 0.96 3.18 1.08 0.00 -0.96 -4.94 105.19 105.68 1xi1 n GLY 184 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1xi1 n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xi1 n LEU 185 N 0.00 5.87 -3.24 0.99 4.32 -1.02 -4.82 117.00 119.10 1xi1 n LEU 185 Ca 0.00 -4.38 -0.35 0.00 -0.02 0.00 0.00 56.01 51.26 1xi1 n LEU 185 Cb 0.00 -1.60 -0.00 0.00 -1.62 0.00 0.00 43.42 40.20 1xi1 n LEU 185 CO 0.00 0.89 0.91 -0.90 -1.22 0.00 0.00 177.39 177.07 1xi1 n ASP 186 N 5.63 6.20 -4.70 -1.43 3.85 -1.26 -4.12 116.55 120.72 1xi1 n ASP 186 Ca 0.42 -3.71 -0.30 0.00 -0.71 0.00 0.00 54.79 50.49 1xi1 n ASP 186 Cb 0.41 -0.90 -0.09 0.00 -1.35 0.00 0.00 41.12 39.19 1xi1 n ASP 186 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1xi1 s ARG 187 N -3.96 2.08 0.14 0.11 1.81 -1.26 -5.04 118.95 112.83 1xi1 s ARG 187 Ca 0.44 -2.24 0.08 0.00 -1.72 0.00 0.00 55.73 52.29 1xi1 s ARG 187 Cb 0.26 -1.60 -0.15 0.00 -0.45 0.00 0.00 34.95 33.01 1xi1 s ARG 187 CO -0.17 -0.21 1.31 1.98 -0.68 0.00 0.00 175.30 177.54 1xi1 h MET 188 N 1.54 0.00 -5.11 3.54 1.85 -1.94 -3.46 114.93 111.35 1xi1 h MET 188 Ca -0.44 0.00 -0.35 0.00 -0.61 0.00 0.00 59.70 58.30 1xi1 h MET 188 Cb 1.28 0.00 -0.18 0.00 0.43 0.00 0.00 31.60 33.13 1xi1 h MET 188 CO 0.77 0.95 -0.74 0.95 -0.40 0.00 0.00 176.91 178.44 1xi1 s THR 189 N -2.80 1.08 0.33 -0.77 -4.23 -1.26 -4.28 115.64 103.70 1xi1 s THR 189 Ca 0.01 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1xi1 s THR 189 Cb 0.10 -1.46 0.14 0.00 1.34 0.00 0.00 72.50 72.63 1xi1 s THR 189 CO 0.81 -0.53 1.85 0.00 -0.54 0.00 0.00 174.62 176.21 1xi1 h ALA 190 N 3.47 1.32 -0.65 3.99 0.00 -1.55 -0.82 119.26 125.03 1xi1 h ALA 190 Ca -0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1xi1 h ALA 190 Cb 1.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1xi1 h ALA 190 CO 0.53 0.46 0.35 0.78 0.00 0.00 0.00 179.25 181.37 1xi1 h GLY 191 N 0.87 0.97 2.00 0.00 0.00 -1.82 -1.90 103.07 103.19 1xi1 h GLY 191 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1xi1 h GLY 191 CO 0.02 0.43 -0.14 1.76 0.00 0.00 0.00 176.54 178.61 1xi1 h SER 192 N 0.89 0.00 -0.06 0.19 0.02 -1.75 -2.65 113.55 110.19 1xi1 h SER 192 Ca 0.23 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 1xi1 h SER 192 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1xi1 h SER 192 CO -0.03 0.14 -0.42 0.44 -1.14 0.00 0.00 176.83 175.82 1xi1 h ASP 193 N 0.00 0.63 -0.12 3.07 3.32 -0.42 -1.90 116.42 120.99 1xi1 h ASP 193 Ca -0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1xi1 h ASP 193 Cb 0.83 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1xi1 h ASP 193 CO 0.02 0.97 -0.09 0.28 -1.72 0.00 0.00 179.24 178.69 1xi1 h SER 194 N 0.48 0.29 -0.79 6.45 0.02 -1.05 -1.80 113.55 117.14 1xi1 h SER 194 Ca 0.04 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1xi1 h SER 194 Cb 0.93 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.35 1xi1 h SER 194 CO 0.08 0.68 0.52 0.25 -1.14 0.00 0.00 176.83 177.23 1xi1 h LEU 195 N -0.10 0.84 -0.13 5.07 5.85 -1.46 0.19 115.31 125.56 1xi1 h LEU 195 Ca 0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xi1 h LEU 195 Cb 0.59 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xi1 h LEU 195 CO 0.02 0.58 0.03 0.50 -0.34 0.00 0.00 178.44 179.24 1xi1 h LYS 196 N 0.98 0.21 -0.28 1.25 3.64 -1.18 0.34 116.57 121.53 1xi1 h LYS 196 Ca 0.32 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1xi1 h LYS 196 Cb 0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1xi1 h LYS 196 CO -0.09 0.37 0.07 0.78 -2.27 0.00 0.00 179.45 178.32 1xi1 h GLY 197 N 0.02 0.43 0.59 5.01 0.00 -0.69 0.26 103.07 108.70 1xi1 h GLY 197 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1xi1 h GLY 197 CO 0.00 0.20 -0.19 -2.75 0.00 0.00 0.00 176.54 173.80 1xi1 h PHE 198 N 0.40 0.30 -0.09 5.60 3.57 -0.26 -2.95 116.94 123.51 1xi1 h PHE 198 Ca 0.10 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1xi1 h PHE 198 Cb 0.15 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1xi1 h PHE 198 CO 0.00 0.81 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.57 1xi1 h LYS 199 N -0.29 0.13 0.00 1.11 3.64 0.18 -1.13 116.57 120.21 1xi1 h LYS 199 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xi1 h LYS 199 Cb 0.82 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1xi1 h LYS 199 CO 0.04 0.24 0.00 -0.44 -2.27 0.00 0.00 179.45 177.02 1xi1 h ASP 200 N 0.12 0.00 0.47 4.20 3.32 -0.44 0.30 116.42 124.40 1xi1 h ASP 200 Ca 0.03 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.78 1xi1 h ASP 200 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1xi1 h ASP 200 CO 0.02 0.00 -1.73 -0.38 -1.72 0.00 0.00 179.24 175.43 1xi1 n ILE 201 N -3.07 1.61 0.35 0.35 5.41 -0.45 -4.33 119.36 119.22 1xi1 n ILE 201 Ca 0.01 -0.80 0.05 0.00 1.00 0.00 0.00 62.75 63.01 1xi1 n ILE 201 Cb 0.30 -1.03 0.05 0.00 -0.71 0.00 0.00 39.64 38.25 1xi1 n ILE 201 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1xi1 n ILE 202 N -3.04 0.08 0.00 1.39 -5.35 -1.04 -5.06 119.36 106.34 1xi1 n ILE 202 Ca -0.17 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1xi1 n ILE 202 Cb 1.06 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 40.09 1xi1 n ILE 202 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xi1 n THR 203 N 0.52 -0.20 0.60 7.28 -1.04 0.09 -3.89 114.28 117.63 1xi1 n THR 203 Ca 0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.19 1xi1 n THR 203 Cb 0.25 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.22 1xi1 n THR 203 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xi1 n THR 204 N -0.52 0.62 -0.02 12.58 -1.04 -1.25 -1.54 114.28 123.10 1xi1 n THR 204 Ca 0.00 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.83 1xi1 n THR 204 Cb 0.00 -0.80 -0.13 0.00 -1.82 0.00 0.00 70.33 67.58 1xi1 n THR 204 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1xi1 h LYS 205 N 0.00 0.14 -0.00 -2.82 3.64 -1.92 -2.91 116.57 112.69 1xi1 h LYS 205 Ca 0.00 -0.20 -0.18 0.00 -1.27 0.00 0.00 60.65 59.00 1xi1 h LYS 205 Cb 0.53 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1xi1 h LYS 205 CO 0.00 1.04 -0.81 -0.22 -2.27 0.00 0.00 179.45 177.19 1xi1 h LYS 206 N -0.66 0.11 0.63 1.90 3.64 -1.66 -3.07 116.57 117.46 1xi1 h LYS 206 Ca -0.05 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1xi1 h LYS 206 Cb 1.17 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1xi1 h LYS 206 CO 0.06 0.85 -0.46 0.35 -2.27 0.00 0.00 179.45 177.98 1xi1 h PHE 207 N 0.06 -1.25 -0.85 1.91 3.57 -1.38 0.12 116.94 119.12 1xi1 h PHE 207 Ca -0.02 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.65 1xi1 h PHE 207 Cb 1.41 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 40.55 1xi1 h PHE 207 CO 0.01 -0.67 0.56 -0.22 -2.23 0.00 0.00 178.31 175.77 1xi1 h LYS 208 N -1.05 0.40 0.14 1.11 3.64 -1.56 0.48 116.57 119.73 1xi1 h LYS 208 Ca -0.08 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 58.98 1xi1 h LYS 208 Cb 0.88 -0.09 0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1xi1 h LYS 208 CO 0.03 0.27 -1.27 0.87 -2.27 0.00 0.00 179.45 177.08 1xi1 h LYS 209 N 0.41 0.58 0.00 1.90 1.57 -1.35 -3.24 116.57 116.45 1xi1 h LYS 209 Ca 0.43 -0.81 -0.18 0.00 -1.87 0.00 0.00 60.65 58.22 1xi1 h LYS 209 Cb 1.04 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1xi1 h LYS 209 CO -0.15 1.37 -0.86 0.28 -0.57 0.00 0.00 179.45 179.51 1xi1 h VAL 210 N 0.24 1.58 -2.17 0.50 2.07 0.38 -3.39 116.25 115.47 1xi1 h VAL 210 Ca -0.19 -2.85 -0.59 0.00 0.82 0.00 0.00 66.70 63.89 1xi1 h VAL 210 Cb 1.95 2.55 -0.42 0.00 -1.52 0.00 0.00 31.29 33.86 1xi1 h VAL 210 CO 0.24 0.82 -0.69 0.49 0.02 0.00 0.00 177.57 178.45 1xi1 n PHE 211 N -3.56 3.03 -0.85 1.57 0.99 0.16 -0.77 117.46 118.03 1xi1 n PHE 211 Ca -0.01 -4.04 -0.30 0.00 -0.00 0.00 0.00 57.45 53.10 1xi1 n PHE 211 Cb 0.81 -0.52 0.18 0.00 -1.00 0.00 0.00 39.48 38.96 1xi1 n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1xi1 s PRO 212 N -2.43 0.47 -0.24 -1.08 0.04 -1.22 -4.74 135.00 125.80 1xi1 s PRO 212 Ca 0.41 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 1xi1 s PRO 212 Cb 0.18 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.98 1xi1 s PRO 212 CO -0.04 -2.84 0.47 0.99 0.04 0.00 0.00 177.00 175.62 1xi1 s THR 213 N -2.70 5.12 0.62 1.26 2.01 -1.26 -4.83 115.64 115.85 1xi1 s THR 213 Ca 0.66 0.82 -0.08 0.00 0.31 0.00 0.00 61.69 63.40 1xi1 s THR 213 Cb -0.22 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1xi1 s THR 213 CO 0.60 0.15 0.96 -0.76 -0.69 0.00 0.00 174.62 174.88 1xi1 s LEU 214 N 1.91 3.17 0.81 4.42 1.43 -1.26 -5.05 118.68 124.12 1xi1 s LEU 214 Ca 0.21 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1xi1 s LEU 214 Cb -0.15 -3.77 0.08 0.00 0.03 0.00 0.00 46.19 42.38 1xi1 s LEU 214 CO 0.09 -1.08 1.11 -0.94 0.23 0.00 0.00 176.35 175.75 1xi1 s SER 215 N -4.29 4.04 0.24 2.29 1.04 -1.26 -4.79 113.70 110.96 1xi1 s SER 215 Ca 0.55 1.91 -0.07 0.00 0.48 0.00 0.00 55.95 58.82 1xi1 s SER 215 Cb -0.11 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.77 1xi1 s SER 215 CO 0.48 -2.35 1.87 0.25 0.98 0.00 0.00 173.24 174.47 1xi1 h LEU 216 N -1.35 0.90 -0.35 2.42 5.85 -1.99 -0.61 115.31 120.18 1xi1 h LEU 216 Ca -0.44 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.09 1xi1 h LEU 216 Cb 1.24 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1xi1 h LEU 216 CO 0.49 0.61 -0.77 1.23 -0.34 0.00 0.00 178.44 179.66 1xi1 h GLY 217 N 1.05 0.46 2.00 3.75 0.00 -2.00 -2.49 103.07 105.84 1xi1 h GLY 217 Ca 0.35 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1xi1 h GLY 217 CO -0.13 0.60 -0.43 -2.00 0.00 0.00 0.00 176.54 174.58 1xi1 h LEU 218 N 0.27 0.00 -0.07 3.11 5.85 -1.81 -2.08 115.31 120.58 1xi1 h LEU 218 Ca -0.04 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.43 1xi1 h LEU 218 Cb 1.36 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.39 1xi1 h LEU 218 CO 0.13 0.43 -1.04 -0.78 -0.34 0.00 0.00 178.44 176.84 1xi1 h ASP 219 N 0.00 0.57 -0.16 1.25 1.82 -1.08 -2.83 116.42 115.99 1xi1 h ASP 219 Ca -0.00 -0.49 -0.11 0.00 -0.39 0.00 0.00 57.03 56.04 1xi1 h ASP 219 Cb 0.79 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1xi1 h ASP 219 CO 0.06 1.31 -0.26 0.50 -1.61 0.00 0.00 179.24 179.23 1xi1 h LYS 220 N 0.21 0.62 -0.48 0.28 3.64 -1.07 -0.60 116.57 119.18 1xi1 h LYS 220 Ca -0.11 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1xi1 h LYS 220 Cb 1.70 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1xi1 h LYS 220 CO 0.18 0.82 -0.17 0.93 -2.27 0.00 0.00 179.45 178.95 1xi1 h GLU 221 N 0.54 0.96 -0.41 1.90 5.08 -1.42 -2.49 114.58 118.74 1xi1 h GLU 221 Ca 0.07 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1xi1 h GLU 221 Cb 0.73 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1xi1 h GLU 221 CO 0.06 1.06 0.18 0.28 -1.00 0.00 0.00 179.01 179.59 1xi1 h VAL 222 N 0.81 1.19 -0.38 3.13 2.07 -1.23 -2.57 116.25 119.26 1xi1 h VAL 222 Ca 0.11 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.17 1xi1 h VAL 222 Cb 0.74 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1xi1 h VAL 222 CO 0.06 0.21 0.27 0.03 0.02 0.00 0.00 177.57 178.16 1xi1 h ARG 223 N 0.53 0.05 -0.49 1.57 2.47 -0.92 0.48 114.38 118.06 1xi1 h ARG 223 Ca 0.14 -0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.94 1xi1 h ARG 223 Cb 0.16 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1xi1 h ARG 223 CO -0.01 0.03 0.33 1.88 0.56 0.00 0.00 179.97 182.76 1xi1 h TYR 224 N 0.05 0.33 -0.14 3.04 0.99 -1.01 -1.01 116.97 119.21 1xi1 h TYR 224 Ca 0.18 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1xi1 h TYR 224 Cb 0.67 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.29 1xi1 h TYR 224 CO -0.00 0.17 0.00 0.00 -0.00 0.00 0.00 178.16 178.33 1xi1 n ALA 225 N -2.53 2.53 -2.51 3.88 0.00 0.16 -4.67 120.51 117.37 1xi1 n ALA 225 Ca 0.07 -0.46 -0.39 0.00 0.00 0.00 0.00 53.44 52.67 1xi1 n ALA 225 Cb 0.33 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1xi1 n ALA 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xi1 s TYR 226 N -1.82 3.67 0.13 0.00 5.04 -0.39 -4.64 117.35 119.34 1xi1 s TYR 226 Ca 0.31 1.13 -0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1xi1 s TYR 226 Cb 0.17 -2.55 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 1xi1 s TYR 226 CO 0.25 0.37 0.03 1.03 -1.34 0.00 0.00 175.55 175.90 1xi1 s ARG 227 N -0.23 0.92 0.00 4.97 0.52 -1.26 -5.06 118.95 118.81 1xi1 s ARG 227 Ca 0.29 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1xi1 s ARG 227 Cb -0.18 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.43 1xi1 s ARG 227 CO 0.16 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1xi1 n GLY 228 N -0.10 1.55 3.74 -3.53 0.00 -1.26 -4.81 105.19 100.78 1xi1 n GLY 228 Ca -0.07 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1xi1 n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xi1 s GLY 229 N -0.58 1.90 -0.36 -0.02 0.00 -1.26 -4.92 107.32 102.08 1xi1 s GLY 229 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1xi1 s GLY 229 CO 0.00 0.89 0.70 -0.12 0.00 0.00 0.00 173.10 174.57 1xi1 s PHE 230 N -2.56 3.13 -0.28 1.90 5.36 -1.26 -4.80 117.98 119.47 1xi1 s PHE 230 Ca 0.66 0.43 0.01 0.00 -0.96 0.00 0.00 56.93 57.07 1xi1 s PHE 230 Cb -0.21 -3.27 0.08 0.00 -0.34 0.00 0.00 43.02 39.28 1xi1 s PHE 230 CO 0.51 -0.68 0.03 0.99 -1.46 0.00 0.00 175.22 174.61 1xi1 s THR 231 N 2.89 1.35 0.02 0.12 2.01 -1.26 0.99 115.64 121.76 1xi1 s THR 231 Ca 0.28 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 60.84 1xi1 s THR 231 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1xi1 s THR 231 CO 0.16 -0.43 -0.07 0.86 -0.69 0.00 0.00 174.62 174.45 1xi1 s TRP 232 N 1.42 0.58 -0.09 4.92 -0.00 -0.50 -4.85 118.94 120.41 1xi1 s TRP 232 Ca 0.04 -0.33 0.03 0.00 -0.00 0.00 0.00 56.10 55.84 1xi1 s TRP 232 Cb -0.18 -0.35 0.01 0.00 -0.00 0.00 0.00 33.47 32.94 1xi1 s TRP 232 CO -0.14 -0.05 -0.20 -1.17 -0.00 0.00 0.00 176.95 175.39 1xi1 s LEU 233 N -0.98 1.93 -0.03 5.86 2.96 -1.26 -0.82 118.68 126.34 1xi1 s LEU 233 Ca -0.05 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 1xi1 s LEU 233 Cb -0.07 -1.21 -0.07 0.00 0.50 0.00 0.00 46.19 45.34 1xi1 s LEU 233 CO 0.00 0.11 1.78 0.21 -1.32 0.00 0.00 176.35 177.13 1xi1 s ASN 234 N 0.51 6.56 0.34 3.68 3.84 -0.40 -4.85 114.94 124.62 1xi1 s ASN 234 Ca -0.16 2.38 0.07 0.00 0.21 0.00 0.00 52.86 55.36 1xi1 s ASN 234 Cb -0.17 -2.53 0.76 0.00 -0.55 0.00 0.00 41.25 38.75 1xi1 s ASN 234 CO 0.06 -1.00 1.86 0.44 -2.79 0.00 0.00 177.10 175.67 1xi1 h ASP 235 N 10.05 0.72 -0.63 -4.21 3.32 -1.97 -2.21 116.42 121.48 1xi1 h ASP 235 Ca -0.43 0.04 0.12 0.00 0.02 0.00 0.00 57.03 56.79 1xi1 h ASP 235 Cb 1.20 -0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 1xi1 h ASP 235 CO 0.95 0.36 -0.20 -0.09 -1.72 0.00 0.00 179.24 178.55 1xi1 h ARG 236 N 0.76 -0.04 -0.53 3.56 2.43 -1.96 0.22 114.38 118.82 1xi1 h ARG 236 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1xi1 h ARG 236 Cb 0.67 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1xi1 h ARG 236 CO -0.23 -0.02 0.00 1.19 -1.51 0.00 0.00 179.97 179.40 1xi1 n PHE 237 N -5.44 0.77 -1.99 2.20 3.01 -0.86 -4.88 117.46 110.27 1xi1 n PHE 237 Ca 0.07 -0.33 -0.42 0.00 1.01 0.00 0.00 57.45 57.78 1xi1 n PHE 237 Cb 0.34 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1xi1 n PHE 237 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1xi1 s LYS 238 N -1.60 4.24 0.00 -1.08 2.20 0.75 -3.65 119.74 120.60 1xi1 s LYS 238 Ca 0.30 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1xi1 s LYS 238 Cb 0.18 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1xi1 s LYS 238 CO 0.17 -0.57 0.00 0.39 -0.36 0.00 0.00 175.35 174.97 1xi1 n GLU 239 N 4.04 0.00 -2.53 4.03 1.02 0.20 -4.91 120.64 122.49 1xi1 n GLU 239 Ca 0.13 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.91 1xi1 n GLU 239 Cb 0.39 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 1xi1 n GLU 239 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xi1 s LYS 240 N 0.00 4.10 0.22 3.49 1.02 -1.24 -4.75 119.74 122.58 1xi1 s LYS 240 Ca 0.00 1.50 -0.06 0.00 0.02 0.00 0.00 55.97 57.43 1xi1 s LYS 240 Cb 0.00 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.78 1xi1 s LYS 240 CO 0.00 -0.20 0.49 -1.83 -0.92 0.00 0.00 175.35 172.89 1xi1 s GLU 241 N -2.61 3.67 0.11 1.68 -1.05 -1.26 -4.31 118.70 114.93 1xi1 s GLU 241 Ca 0.59 0.04 0.01 0.00 -0.15 0.00 0.00 54.97 55.46 1xi1 s GLU 241 Cb -0.21 -2.72 -0.00 0.00 -0.44 0.00 0.00 34.13 30.75 1xi1 s GLU 241 CO 0.27 0.33 0.05 0.44 0.95 0.00 0.00 175.26 177.30 1xi1 n ILE 242 N -0.37 0.00 -3.75 1.83 -5.35 0.06 -4.99 119.36 106.80 1xi1 n ILE 242 Ca -0.01 -0.67 -0.13 0.00 -0.27 0.00 0.00 62.75 61.67 1xi1 n ILE 242 Cb 0.53 0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.58 1xi1 n ILE 242 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1xi1 s GLY 243 N -1.69 -0.27 -0.04 3.28 0.00 -1.26 -1.45 107.32 105.89 1xi1 s GLY 243 Ca 0.07 0.98 -0.03 0.00 0.00 0.00 0.00 44.72 45.74 1xi1 s GLY 243 CO 0.05 0.83 0.06 1.18 0.00 0.00 0.00 173.10 175.21 1xi1 n GLU 244 N 2.73 -2.38 -3.93 2.90 -0.58 0.30 -4.70 120.64 114.97 1xi1 n GLU 244 Ca -0.14 2.02 -0.08 0.00 -0.42 0.00 0.00 57.16 58.54 1xi1 n GLU 244 Cb 0.57 -2.74 -0.04 0.00 -0.57 0.00 0.00 31.44 28.66 1xi1 n GLU 244 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xi1 s GLY 245 N -0.30 0.25 0.18 0.62 0.00 -0.25 -1.55 107.32 106.26 1xi1 s GLY 245 Ca -0.07 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.09 1xi1 s GLY 245 CO 0.18 -0.38 -0.10 1.06 0.00 0.00 0.00 173.10 173.86 1xi1 s MET 246 N -3.97 1.18 -0.06 2.90 1.00 0.75 -0.39 119.30 120.72 1xi1 s MET 246 Ca 0.17 -1.53 0.01 0.00 0.00 0.00 0.00 55.69 54.35 1xi1 s MET 246 Cb -0.03 -0.79 0.02 0.00 0.00 0.00 0.00 34.83 34.03 1xi1 s MET 246 CO 0.08 0.09 -0.06 0.08 0.00 0.00 0.00 175.02 175.21 1xi1 s VAL 247 N -3.22 0.71 -0.08 -6.03 1.01 -0.65 -1.23 120.40 110.91 1xi1 s VAL 247 Ca 0.20 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1xi1 s VAL 247 Cb 0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1xi1 s VAL 247 CO 0.04 0.27 -0.19 -0.36 0.00 0.00 0.00 175.10 174.85 1xi1 s PHE 248 N 0.96 2.61 -0.03 5.22 0.40 -0.47 -0.25 117.98 126.43 1xi1 s PHE 248 Ca -0.10 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1xi1 s PHE 248 Cb -0.14 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 1xi1 s PHE 248 CO 0.00 -0.16 -0.22 -0.51 0.70 0.00 0.00 175.22 175.03 1xi1 s ASP 249 N -0.07 2.63 0.18 1.36 1.11 -0.20 -0.86 116.67 120.83 1xi1 s ASP 249 Ca -0.05 -0.42 -0.30 0.00 0.18 0.00 0.00 52.55 51.96 1xi1 s ASP 249 Cb -0.14 -0.49 -0.08 0.00 1.07 0.00 0.00 42.92 43.28 1xi1 s ASP 249 CO 0.04 0.24 1.15 -0.69 1.18 0.00 0.00 175.17 177.09 1xi1 s VAL 250 N -0.32 3.73 -0.41 -1.27 1.01 -0.17 0.00 120.40 122.98 1xi1 s VAL 250 Ca 0.03 1.47 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 1xi1 s VAL 250 Cb -0.10 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1xi1 s VAL 250 CO 0.01 0.24 1.45 0.20 0.00 0.00 0.00 175.10 177.01 1xi1 s ASN 251 N 0.02 6.28 -0.64 3.32 0.01 -0.10 -3.99 114.94 119.84 1xi1 s ASN 251 Ca 0.51 0.87 -0.12 0.00 -0.71 0.00 0.00 52.86 53.41 1xi1 s ASN 251 Cb -0.31 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.83 1xi1 s ASN 251 CO 0.36 -1.47 0.64 -1.20 -1.51 0.00 0.00 177.10 173.92 1xi1 n SER 252 N 8.99 -6.47 -0.02 -1.22 7.64 -1.26 -0.70 113.62 120.58 1xi1 n SER 252 Ca 0.17 -0.23 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 1xi1 n SER 252 Cb 0.48 -3.48 -0.07 0.00 -1.01 0.00 0.00 64.21 60.13 1xi1 n SER 252 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xi1 h LEU 253 N 0.90 -1.17 0.03 -3.43 5.85 -1.97 -1.59 115.31 113.94 1xi1 h LEU 253 Ca -0.31 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1xi1 h LEU 253 Cb 1.21 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1xi1 h LEU 253 CO 0.29 -0.32 -0.02 1.88 -0.34 0.00 0.00 178.44 179.93 1xi1 h TYR 254 N -0.37 -0.04 -0.15 1.25 0.99 -1.95 -2.48 116.97 114.22 1xi1 h TYR 254 Ca 0.02 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.80 1xi1 h TYR 254 Cb 0.45 0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.18 1xi1 h TYR 254 CO -0.56 0.32 0.13 -1.35 -0.00 0.00 0.00 178.16 176.70 1xi1 h PRO 255 N -0.41 0.00 -0.40 4.88 0.11 -1.83 -1.24 132.00 133.10 1xi1 h PRO 255 Ca -0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1xi1 h PRO 255 Cb 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1xi1 h PRO 255 CO 0.01 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 177.54 1xi1 h ALA 256 N 1.88 0.57 -0.40 -0.75 0.00 -1.04 -0.51 119.26 119.01 1xi1 h ALA 256 Ca 0.07 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1xi1 h ALA 256 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xi1 h ALA 256 CO -0.00 0.58 -0.24 1.96 0.00 0.00 0.00 179.25 181.55 1xi1 h GLN 257 N 0.70 0.87 0.00 0.00 1.08 -0.81 -2.68 115.11 114.27 1xi1 h GLN 257 Ca 0.08 -0.40 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 1xi1 h GLN 257 Cb 0.83 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1xi1 h GLN 257 CO 0.07 1.04 -0.12 0.52 -0.95 0.00 0.00 178.83 179.40 1xi1 h MET 258 N 0.68 0.00 -0.04 1.46 2.86 -1.21 0.13 114.93 118.82 1xi1 h MET 258 Ca 0.08 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.47 1xi1 h MET 258 Cb 0.81 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.49 1xi1 h MET 258 CO 0.07 0.12 -0.95 -0.92 1.06 0.00 0.00 176.91 176.28 1xi1 h TYR 259 N 0.00 1.03 0.00 -0.22 5.03 -0.74 -3.38 116.97 118.70 1xi1 h TYR 259 Ca -0.00 -0.54 0.00 0.00 2.58 0.00 0.00 58.73 60.77 1xi1 h TYR 259 Cb 0.30 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1xi1 h TYR 259 CO 0.00 1.37 0.00 -1.13 -1.32 0.00 0.00 178.16 177.08 1xi1 n SER 260 N -3.90 0.05 -4.89 -2.11 3.41 -1.14 -4.63 113.62 100.40 1xi1 n SER 260 Ca -0.10 -1.02 -0.29 0.00 -0.26 0.00 0.00 58.87 57.20 1xi1 n SER 260 Cb 0.84 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1xi1 n SER 260 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xi1 s ARG 261 N -0.02 3.67 -0.46 4.33 1.81 0.02 -4.95 118.95 123.36 1xi1 s ARG 261 Ca 0.00 0.37 -0.29 0.00 -1.72 0.00 0.00 55.73 54.09 1xi1 s ARG 261 Cb 0.00 -2.37 0.01 0.00 -0.45 0.00 0.00 34.95 32.14 1xi1 s ARG 261 CO 0.00 -0.14 1.39 -1.17 -0.68 0.00 0.00 175.30 174.70 1xi1 s LEU 262 N -4.30 3.54 0.09 2.53 2.96 -1.26 -4.41 118.68 117.82 1xi1 s LEU 262 Ca 0.50 0.65 0.05 0.00 -0.22 0.00 0.00 54.13 55.12 1xi1 s LEU 262 Cb -0.10 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1xi1 s LEU 262 CO 0.38 -1.50 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.12 1xi1 s LEU 263 N 5.54 3.30 0.60 -0.68 1.43 -0.33 -4.88 118.68 123.67 1xi1 s LEU 263 Ca 0.58 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 1xi1 s LEU 263 Cb -0.12 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1xi1 s LEU 263 CO 0.31 0.18 1.03 -2.16 0.23 0.00 0.00 176.35 175.94 1xi1 s PRO 264 N -2.21 3.47 0.06 1.29 0.04 -1.26 -0.89 135.00 135.51 1xi1 s PRO 264 Ca 0.24 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 61.98 1xi1 s PRO 264 Cb -0.11 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.45 1xi1 s PRO 264 CO 0.16 -0.67 0.75 1.52 0.04 0.00 0.00 177.00 178.80 1xi1 s TYR 265 N -2.81 -0.45 0.00 0.56 -0.85 -0.90 -4.75 117.35 108.16 1xi1 s TYR 265 Ca 0.59 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 57.45 1xi1 s TYR 265 Cb -0.13 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1xi1 s TYR 265 CO 0.44 -0.68 0.00 0.41 -1.52 0.00 0.00 175.55 174.20 1xi1 n GLY 266 N -0.23 -2.53 3.71 5.49 0.00 0.05 -3.37 105.19 108.31 1xi1 n GLY 266 Ca -0.13 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1xi1 n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xi1 s GLU 267 N -0.72 4.51 0.53 1.61 2.56 -1.26 -4.78 118.70 121.15 1xi1 s GLU 267 Ca 0.00 1.54 -0.19 0.00 0.00 0.00 0.00 54.97 56.32 1xi1 s GLU 267 Cb 0.00 -3.42 -0.06 0.00 2.00 0.00 0.00 34.13 32.64 1xi1 s GLU 267 CO 0.00 -0.13 1.08 -1.25 -0.56 0.00 0.00 175.26 174.40 1xi1 s PRO 268 N 1.05 3.53 -0.18 4.30 0.04 -1.26 -4.73 135.00 137.75 1xi1 s PRO 268 Ca 0.54 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 1xi1 s PRO 268 Cb -0.24 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1xi1 s PRO 268 CO 0.28 -0.67 -0.05 0.42 0.04 0.00 0.00 177.00 177.03 1xi1 s ILE 269 N -1.99 3.57 0.15 0.56 1.01 -0.74 -4.92 121.20 118.83 1xi1 s ILE 269 Ca 0.69 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 1xi1 s ILE 269 Cb -0.19 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 1xi1 s ILE 269 CO 0.26 0.46 0.97 -0.69 0.00 0.00 0.00 174.94 175.93 1xi1 s VAL 270 N 0.90 4.34 0.15 2.92 1.01 -1.26 -1.41 120.40 127.05 1xi1 s VAL 270 Ca -0.01 2.04 0.05 0.00 0.00 0.00 0.00 61.98 64.06 1xi1 s VAL 270 Cb -0.15 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1xi1 s VAL 270 CO 0.01 0.36 -0.11 0.72 0.00 0.00 0.00 175.10 176.08 1xi1 s PHE 271 N -0.32 1.30 0.03 5.22 -0.12 -0.93 -4.98 117.98 118.19 1xi1 s PHE 271 Ca 0.46 -0.73 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1xi1 s PHE 271 Cb -0.24 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 1xi1 s PHE 271 CO 0.31 0.11 0.01 -1.21 -0.05 0.00 0.00 175.22 174.39 1xi1 s GLU 272 N -3.64 2.76 3.74 1.99 2.02 -1.26 -2.05 118.70 122.25 1xi1 s GLU 272 Ca 0.16 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1xi1 s GLU 272 Cb 0.02 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1xi1 s GLU 272 CO 0.01 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1xi1 n GLY 273 N 1.12 0.39 3.79 -1.39 0.00 0.53 -4.81 105.19 104.81 1xi1 n GLY 273 Ca -0.13 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1xi1 n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xi1 s LYS 274 N 0.00 4.33 0.34 1.61 2.20 -1.26 -3.54 119.74 123.42 1xi1 s LYS 274 Ca 0.00 0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 56.18 1xi1 s LYS 274 Cb 0.00 -3.27 -0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1xi1 s LYS 274 CO 0.00 0.54 1.48 0.98 -0.36 0.00 0.00 175.35 177.99 1xi1 n TYR 275 N 1.97 2.80 -4.79 4.03 9.36 -1.26 -5.02 117.16 124.25 1xi1 n TYR 275 Ca -0.08 0.41 -0.32 0.00 3.32 0.00 0.00 57.90 61.23 1xi1 n TYR 275 Cb 0.50 -2.53 -0.13 0.00 -0.63 0.00 0.00 39.34 36.56 1xi1 n TYR 275 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1xi1 s VAL 276 N -0.78 3.07 -0.05 2.97 1.01 -1.26 -5.06 120.40 120.30 1xi1 s VAL 276 Ca 0.57 -0.83 -0.35 0.00 0.00 0.00 0.00 61.98 61.37 1xi1 s VAL 276 Cb -0.50 -2.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.51 1xi1 s VAL 276 CO 0.59 0.51 1.78 1.87 0.00 0.00 0.00 175.10 179.86 1xi1 n TRP 277 N 2.06 2.26 -3.79 5.22 -0.00 -1.26 -4.95 117.44 116.99 1xi1 n TRP 277 Ca -0.17 0.12 -0.30 0.00 -0.00 0.00 0.00 57.50 57.16 1xi1 n TRP 277 Cb 0.52 -2.61 -0.15 0.00 -0.00 0.00 0.00 31.31 29.07 1xi1 n TRP 277 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xi1 s ASP 278 N 3.21 4.16 0.35 5.87 -1.08 -1.26 -5.01 116.67 122.91 1xi1 s ASP 278 Ca 0.90 -1.77 0.16 0.00 -0.52 0.00 0.00 52.55 51.31 1xi1 s ASP 278 Cb -0.73 -1.01 1.18 0.00 -1.46 0.00 0.00 42.92 40.89 1xi1 s ASP 278 CO 0.50 -0.40 1.59 -0.08 0.52 0.00 0.00 175.17 177.30 1xi1 h GLU 279 N 7.95 0.06 0.00 4.34 4.81 -1.97 0.46 114.58 130.23 1xi1 h GLU 279 Ca -0.11 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1xi1 h GLU 279 Cb 1.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1xi1 h GLU 279 CO 0.48 0.04 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.17 1xi1 h ASP 280 N 0.06 0.00 -2.13 1.04 3.32 -1.95 -3.34 116.42 113.42 1xi1 h ASP 280 Ca 0.77 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 57.24 1xi1 h ASP 280 Cb 1.93 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.07 1xi1 h ASP 280 CO -0.77 0.17 -0.77 -1.22 -1.72 0.00 0.00 179.24 174.93 1xi1 n TYR 281 N -3.13 2.29 0.16 4.55 4.02 0.16 -4.22 117.16 120.98 1xi1 n TYR 281 Ca 0.03 -3.95 0.06 0.00 -0.01 0.00 0.00 57.90 54.04 1xi1 n TYR 281 Cb 0.60 -0.49 0.56 0.00 -0.02 0.00 0.00 39.34 39.99 1xi1 n TYR 281 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xi1 h PRO 282 N 4.05 0.20 -6.16 -0.72 0.11 -1.29 -3.39 132.00 124.80 1xi1 h PRO 282 Ca 0.15 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.73 1xi1 h PRO 282 Cb 0.73 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1xi1 h PRO 282 CO 0.71 0.14 -0.50 -0.51 -0.21 0.00 0.00 178.00 177.63 1xi1 s LEU 283 N -9.21 4.07 0.03 2.35 1.43 -1.21 -4.94 118.68 111.20 1xi1 s LEU 283 Ca -0.06 -0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1xi1 s LEU 283 Cb 0.17 -2.63 0.10 0.00 0.03 0.00 0.00 46.19 43.86 1xi1 s LEU 283 CO 0.69 -0.00 0.82 -1.38 0.23 0.00 0.00 176.35 176.72 1xi1 s HIS 284 N -1.91 -0.39 -0.12 0.29 -3.43 -1.26 -1.27 115.29 107.19 1xi1 s HIS 284 Ca 0.33 0.25 0.02 0.00 -0.80 0.00 0.00 55.06 54.86 1xi1 s HIS 284 Cb -0.09 0.54 -0.00 0.00 -1.43 0.00 0.00 32.58 31.60 1xi1 s HIS 284 CO 0.26 -0.61 -0.20 0.42 -2.00 0.00 0.00 174.74 172.61 1xi1 s ILE 285 N -3.22 2.33 -0.09 -5.38 1.01 -0.26 -0.90 121.20 114.69 1xi1 s ILE 285 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1xi1 s ILE 285 Cb -0.01 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1xi1 s ILE 285 CO -0.10 0.54 -0.19 -1.58 0.00 0.00 0.00 174.94 173.62 1xi1 s GLN 286 N 0.54 2.95 -0.37 2.79 2.00 0.36 -0.48 119.66 127.46 1xi1 s GLN 286 Ca -0.12 -0.78 -0.19 0.00 -2.00 0.00 0.00 55.36 52.26 1xi1 s GLN 286 Cb -0.17 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.25 1xi1 s GLN 286 CO 0.04 0.32 0.55 -1.58 -0.50 0.00 0.00 175.29 174.12 1xi1 s HIS 287 N 0.03 3.16 0.25 1.67 5.65 0.14 -1.12 115.29 125.07 1xi1 s HIS 287 Ca -0.07 0.12 0.08 0.00 0.25 0.00 0.00 55.06 55.44 1xi1 s HIS 287 Cb -0.15 -3.02 -0.05 0.00 -1.18 0.00 0.00 32.58 28.18 1xi1 s HIS 287 CO 0.05 -0.62 -0.13 -1.50 -0.65 0.00 0.00 174.74 171.90 1xi1 s ILE 288 N 2.49 1.86 -0.04 0.89 2.07 0.67 -1.08 121.20 128.06 1xi1 s ILE 288 Ca 0.20 -2.22 0.01 0.00 -1.41 0.00 0.00 60.65 57.23 1xi1 s ILE 288 Cb -0.15 -2.24 0.02 0.00 0.13 0.00 0.00 42.46 40.22 1xi1 s ILE 288 CO 0.14 -0.45 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.54 1xi1 s ARG 289 N -3.64 0.83 0.10 3.50 0.52 -0.47 -1.12 118.95 118.66 1xi1 s ARG 289 Ca 0.26 -0.11 -0.13 0.00 -0.52 0.00 0.00 55.73 55.23 1xi1 s ARG 289 Cb 0.00 -0.83 0.05 0.00 0.52 0.00 0.00 34.95 34.69 1xi1 s ARG 289 CO 0.10 -0.07 0.64 0.00 0.02 0.00 0.00 175.30 175.99 1xi1 s GLU 291 N -2.03 1.10 0.10 0.00 2.02 -0.92 0.16 118.70 119.13 1xi1 s GLU 291 Ca 0.14 -1.21 -0.16 0.00 0.02 0.00 0.00 54.97 53.77 1xi1 s GLU 291 Cb -0.02 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 33.02 1xi1 s GLU 291 CO 0.03 0.27 0.38 -0.59 0.02 0.00 0.00 175.26 175.36 1xi1 s PHE 292 N -1.56 -0.18 -0.05 1.61 -0.12 -1.26 0.10 117.98 116.53 1xi1 s PHE 292 Ca 0.08 -0.07 -0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1xi1 s PHE 292 Cb -0.08 0.21 0.03 0.00 -0.63 0.00 0.00 43.02 42.55 1xi1 s PHE 292 CO 0.04 -0.64 0.06 -1.21 -0.05 0.00 0.00 175.22 173.42 1xi1 s GLU 293 N -3.42 -0.07 0.27 1.99 0.41 -0.51 -1.96 118.70 115.43 1xi1 s GLU 293 Ca 0.01 0.35 -0.30 0.00 -0.41 0.00 0.00 54.97 54.61 1xi1 s GLU 293 Cb 0.01 -0.61 -0.13 0.00 -1.78 0.00 0.00 34.13 31.62 1xi1 s GLU 293 CO -0.09 -0.35 1.25 -0.11 -0.49 0.00 0.00 175.26 175.47 1xi1 n LEU 294 N 5.30 2.75 -4.83 1.80 7.94 0.27 -0.67 117.00 129.56 1xi1 n LEU 294 Ca -0.03 1.17 -0.32 0.00 -1.11 0.00 0.00 56.01 55.71 1xi1 n LEU 294 Cb 0.50 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 1xi1 n LEU 294 CO 0.06 -0.79 0.69 -0.54 -1.11 0.00 0.00 177.39 175.71 1xi1 s LYS 295 N -1.09 3.76 0.05 1.96 1.02 0.93 -4.78 119.74 121.59 1xi1 s LYS 295 Ca 0.63 1.03 -0.31 0.00 0.02 0.00 0.00 55.97 57.34 1xi1 s LYS 295 Cb -0.66 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 34.47 1xi1 s LYS 295 CO 0.56 -0.44 1.52 -2.00 -0.92 0.00 0.00 175.35 174.08 1xi1 s GLU 296 N -4.08 4.24 0.00 1.68 2.12 -1.26 -2.64 118.70 118.76 1xi1 s GLU 296 Ca 0.60 2.16 0.00 0.00 0.36 0.00 0.00 54.97 58.10 1xi1 s GLU 296 Cb -0.12 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1xi1 s GLU 296 CO 0.33 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1xi1 n GLY 297 N 3.80 0.64 3.17 -1.50 0.00 -1.26 -5.07 105.19 104.97 1xi1 n GLY 297 Ca 0.14 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1xi1 n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xi1 s TYR 298 N -2.00 1.33 0.28 1.61 1.51 -1.08 -5.03 117.35 113.98 1xi1 s TYR 298 Ca 0.00 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.39 1xi1 s TYR 298 Cb 0.00 -0.78 -0.09 0.00 -0.11 0.00 0.00 41.96 40.98 1xi1 s TYR 298 CO 0.00 0.06 1.00 0.42 -1.11 0.00 0.00 175.55 175.91 1xi1 s ILE 299 N -0.95 3.90 0.61 2.71 1.01 -1.26 -4.81 121.20 122.41 1xi1 s ILE 299 Ca 0.02 1.80 -0.18 0.00 0.00 0.00 0.00 60.65 62.28 1xi1 s ILE 299 Cb -0.09 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1xi1 s ILE 299 CO 0.02 0.34 1.02 -2.65 0.00 0.00 0.00 174.94 173.66 1xi1 n PRO 300 N 1.05 0.92 0.00 2.79 -0.02 -1.26 -4.91 135.00 133.57 1xi1 n PRO 300 Ca -0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1xi1 n PRO 300 Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1xi1 n PRO 300 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xi1 n THR 301 N -1.79 0.00 -2.43 3.45 -1.04 -1.26 -5.01 114.28 106.20 1xi1 n THR 301 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.72 1xi1 n THR 301 Cb 0.48 -0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 1xi1 n THR 301 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xi1 s ILE 302 N -1.29 4.02 0.36 12.58 1.01 -1.26 -4.99 121.20 131.63 1xi1 s ILE 302 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 60.65 61.79 1xi1 s ILE 302 Cb 0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1xi1 s ILE 302 CO 0.00 -0.80 0.10 -1.58 0.00 0.00 0.00 174.94 172.65 1xi1 s GLN 303 N 4.71 2.20 -0.03 2.79 0.74 -1.26 -1.63 119.66 127.19 1xi1 s GLN 303 Ca 0.57 -1.72 0.00 0.00 0.05 0.00 0.00 55.36 54.26 1xi1 s GLN 303 Cb -0.12 -2.01 0.03 0.00 1.10 0.00 0.00 33.01 32.01 1xi1 s GLN 303 CO 0.31 0.05 -0.01 0.42 -0.55 0.00 0.00 175.29 175.52 1xi1 s ILE 304 N -2.52 0.24 0.00 -2.34 1.01 -0.49 -4.96 121.20 112.14 1xi1 s ILE 304 Ca 0.37 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1xi1 s ILE 304 Cb 0.01 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.16 1xi1 s ILE 304 CO 0.21 0.16 0.00 1.17 0.00 0.00 0.00 174.94 176.48 1xi1 n LYS 305 N 4.13 0.65 -1.54 2.79 4.81 -1.26 -1.24 118.16 126.50 1xi1 n LYS 305 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 1xi1 n LYS 305 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1xi1 n LYS 305 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xi1 n ARG 306 N 0.00 0.00 -0.88 1.64 1.74 -1.26 -4.90 116.66 112.99 1xi1 n ARG 306 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1xi1 n ARG 306 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 1xi1 n ARG 306 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xi1 n SER 307 N 0.75 0.11 -0.20 0.55 2.88 -1.26 -4.95 113.62 111.51 1xi1 n SER 307 Ca 0.00 -1.24 -0.05 0.00 -1.33 0.00 0.00 58.87 56.25 1xi1 n SER 307 Cb 0.00 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 1xi1 n SER 307 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xi1 n ARG 308 N -2.13 -0.21 -0.02 -1.46 5.12 -1.26 -4.24 116.66 112.46 1xi1 n ARG 308 Ca 0.07 0.91 -0.06 0.00 -1.93 0.00 0.00 57.85 56.84 1xi1 n ARG 308 Cb 0.24 -1.35 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 1xi1 n ARG 308 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1xi1 n PHE 309 N -4.19 0.00 -5.24 -1.55 3.01 -1.26 -5.05 117.46 103.18 1xi1 n PHE 309 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 1xi1 n PHE 309 Cb 0.12 -0.25 -0.16 0.00 -0.01 0.00 0.00 39.48 39.18 1xi1 n PHE 309 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1xi1 s TYR 310 N -2.31 2.37 0.00 1.38 1.51 -1.26 -5.13 117.35 113.90 1xi1 s TYR 310 Ca -0.12 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1xi1 s TYR 310 Cb 0.03 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1xi1 s TYR 310 CO 0.17 -0.19 0.00 0.36 -1.11 0.00 0.00 175.55 174.78 1xi1 n LYS 311 N 2.89 1.21 0.00 -0.62 2.85 -1.26 -4.31 118.16 118.92 1xi1 n LYS 311 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1xi1 n LYS 311 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1xi1 n LYS 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xi1 n GLY 312 N 5.00 0.06 0.00 2.58 0.00 -1.26 -4.94 105.19 106.63 1xi1 n GLY 312 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1xi1 n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xi1 n ASN 313 N 0.00 0.00 -4.32 1.61 5.03 -1.26 -4.91 115.26 111.42 1xi1 n ASN 313 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 1xi1 n ASN 313 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 1xi1 n ASN 313 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xi1 s GLU 314 N 0.00 3.37 -0.28 3.52 2.02 -0.38 -4.99 118.70 121.96 1xi1 s GLU 314 Ca 0.00 -0.64 -0.09 0.00 0.02 0.00 0.00 54.97 54.26 1xi1 s GLU 314 Cb 0.00 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 1xi1 s GLU 314 CO 0.00 -0.13 0.12 0.71 0.02 0.00 0.00 175.26 175.98 1xi1 s TYR 315 N 1.28 3.14 0.39 1.61 1.51 -1.26 -1.40 117.35 122.61 1xi1 s TYR 315 Ca 0.03 -0.42 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1xi1 s TYR 315 Cb -0.14 -2.30 -0.09 0.00 -0.11 0.00 0.00 41.96 39.32 1xi1 s TYR 315 CO -0.03 -0.37 1.17 -0.51 -1.11 0.00 0.00 175.55 174.70 1xi1 s LEU 316 N 1.63 4.23 -0.00 -1.29 1.43 -0.64 -4.94 118.68 119.10 1xi1 s LEU 316 Ca 0.06 2.34 0.09 0.00 -1.03 0.00 0.00 54.13 55.59 1xi1 s LEU 316 Cb -0.16 -3.98 -0.11 0.00 0.03 0.00 0.00 46.19 41.97 1xi1 s LEU 316 CO 0.06 -0.62 0.32 0.29 0.23 0.00 0.00 176.35 176.63 1xi1 n LYS 317 N 0.19 2.92 -3.52 1.70 5.02 -1.26 -4.57 118.16 118.65 1xi1 n LYS 317 Ca 0.04 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1xi1 n LYS 317 Cb 0.46 -1.01 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1xi1 n LYS 317 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xi1 s SER 318 N -2.20 -0.45 0.37 4.39 1.04 -1.26 0.97 113.70 116.56 1xi1 s SER 318 Ca 0.01 0.26 0.22 0.00 0.48 0.00 0.00 55.95 56.92 1xi1 s SER 318 Cb 0.06 0.42 0.24 0.00 0.10 0.00 0.00 66.02 66.84 1xi1 s SER 318 CO 0.36 -0.59 1.48 0.77 0.98 0.00 0.00 173.24 176.25 1xi1 h SER 319 N 2.36 0.00 -6.04 7.02 4.64 -1.68 -3.48 113.55 116.36 1xi1 h SER 319 Ca -0.24 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.85 1xi1 h SER 319 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1xi1 h SER 319 CO 0.33 0.08 -0.62 0.61 -0.87 0.00 0.00 176.83 176.36 1xi1 n GLY 320 N 1.14 -1.13 2.43 -0.77 0.00 -1.26 -3.31 105.19 102.28 1xi1 n GLY 320 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1xi1 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi1 n GLY 321 N -1.40 1.87 3.87 -0.02 0.00 -1.26 -5.00 105.19 103.25 1xi1 n GLY 321 Ca -0.13 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1xi1 n GLY 321 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xi1 s GLU 322 N 0.00 3.69 -0.08 1.61 2.02 -1.21 -5.06 118.70 119.68 1xi1 s GLU 322 Ca 0.00 0.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.79 1xi1 s GLU 322 Cb 0.00 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 1xi1 s GLU 322 CO 0.00 0.64 1.20 0.42 0.02 0.00 0.00 175.26 177.54 1xi1 s ILE 323 N -1.25 4.29 0.46 -1.63 1.01 -1.26 -4.74 121.20 118.07 1xi1 s ILE 323 Ca 0.27 1.60 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 1xi1 s ILE 323 Cb -0.14 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1xi1 s ILE 323 CO 0.15 -0.03 0.79 0.00 0.00 0.00 0.00 174.94 175.86 1xi1 s ALA 324 N 2.43 3.36 -0.21 9.38 0.00 0.42 -4.86 121.76 132.29 1xi1 s ALA 324 Ca 0.55 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1xi1 s ALA 324 Cb -0.24 -2.67 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1xi1 s ALA 324 CO 0.20 -0.23 -0.10 0.34 0.00 0.00 0.00 175.76 175.97 1xi1 s ASP 325 N -3.72 3.57 0.07 0.00 -1.08 -1.26 -1.71 116.67 112.54 1xi1 s ASP 325 Ca 0.49 -0.97 0.04 0.00 -0.52 0.00 0.00 52.55 51.59 1xi1 s ASP 325 Cb -0.10 -1.28 -0.03 0.00 -1.46 0.00 0.00 42.92 40.05 1xi1 s ASP 325 CO 0.40 -0.15 -0.11 -0.76 0.52 0.00 0.00 175.17 175.07 1xi1 s LEU 326 N 1.35 2.31 -0.20 -1.34 1.43 -0.28 -5.02 118.68 116.94 1xi1 s LEU 326 Ca -0.02 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1xi1 s LEU 326 Cb -0.17 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.75 1xi1 s LEU 326 CO -0.08 -0.18 -0.16 0.26 0.23 0.00 0.00 176.35 176.42 1xi1 s TRP 327 N -1.70 2.78 -0.01 0.29 0.52 -1.26 -0.24 118.94 119.32 1xi1 s TRP 327 Ca -0.02 -1.75 0.04 0.00 0.02 0.00 0.00 56.10 54.39 1xi1 s TRP 327 Cb -0.08 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1xi1 s TRP 327 CO 0.01 -0.80 -0.12 -0.51 0.02 0.00 0.00 176.95 175.55 1xi1 s LEU 328 N 1.28 1.99 0.80 2.99 1.43 -0.27 -3.95 118.68 122.95 1xi1 s LEU 328 Ca 0.01 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1xi1 s LEU 328 Cb -0.15 -0.63 0.08 0.00 0.03 0.00 0.00 46.19 45.51 1xi1 s LEU 328 CO -0.10 0.14 1.10 -0.94 0.23 0.00 0.00 176.35 176.77 1xi1 s SER 329 N -0.21 4.20 0.57 2.29 1.04 -1.26 -0.49 113.70 119.85 1xi1 s SER 329 Ca 0.03 1.82 0.33 0.00 0.48 0.00 0.00 55.95 58.60 1xi1 s SER 329 Cb -0.06 -2.48 1.72 0.00 0.10 0.00 0.00 66.02 65.30 1xi1 s SER 329 CO -0.00 -2.23 2.16 -0.55 0.98 0.00 0.00 173.24 173.60 1xi1 h ASN 330 N -1.26 0.00 -0.12 7.02 -1.07 -1.42 -0.68 115.58 118.05 1xi1 h ASN 330 Ca -0.44 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.87 1xi1 h ASN 330 Cb 1.24 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1xi1 h ASN 330 CO 0.51 0.06 -0.14 0.58 0.07 0.00 0.00 177.43 178.51 1xi1 h VAL 331 N 0.00 1.36 -0.26 6.14 2.07 -1.90 -2.12 116.25 121.54 1xi1 h VAL 331 Ca -0.00 -1.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.06 1xi1 h VAL 331 Cb 0.24 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1xi1 h VAL 331 CO 0.01 0.38 -0.41 0.44 0.02 0.00 0.00 177.57 178.01 1xi1 h ASP 332 N -0.09 0.66 -0.60 0.57 3.32 -1.75 -3.01 116.42 115.53 1xi1 h ASP 332 Ca 0.02 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 1xi1 h ASP 332 Cb 0.67 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1xi1 h ASP 332 CO 0.03 1.00 0.02 0.25 -1.72 0.00 0.00 179.24 178.82 1xi1 h LEU 333 N 0.51 1.03 -1.22 1.55 5.85 -1.17 -1.18 115.31 120.67 1xi1 h LEU 333 Ca 0.04 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1xi1 h LEU 333 Cb 0.93 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1xi1 h LEU 333 CO 0.08 1.07 0.04 -0.08 -0.34 0.00 0.00 178.44 179.22 1xi1 h GLU 334 N 0.95 0.57 -0.03 1.25 4.81 -1.32 -1.96 114.58 118.85 1xi1 h GLU 334 Ca 0.17 -0.11 -0.23 0.00 -0.13 0.00 0.00 59.36 59.06 1xi1 h GLU 334 Cb 0.54 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xi1 h GLU 334 CO 0.03 0.57 -0.92 -0.07 -0.73 0.00 0.00 179.01 177.89 1xi1 h LEU 335 N 0.56 0.70 -0.67 1.64 3.38 -1.37 -3.13 115.31 116.41 1xi1 h LEU 335 Ca 0.12 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1xi1 h LEU 335 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1xi1 h LEU 335 CO 0.01 1.32 0.37 -0.03 0.09 0.00 0.00 178.44 180.19 1xi1 h MET 336 N 0.33 0.94 -0.05 1.13 4.05 -0.88 -1.71 114.93 118.74 1xi1 h MET 336 Ca -0.08 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 1xi1 h MET 336 Cb 1.55 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1xi1 h MET 336 CO 0.17 0.70 -0.10 0.87 0.23 0.00 0.00 176.91 178.79 1xi1 h LYS 337 N 0.92 0.08 0.15 0.39 1.57 -1.38 -0.27 116.57 118.02 1xi1 h LYS 337 Ca 0.24 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.76 1xi1 h LYS 337 Cb 0.04 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1xi1 h LYS 337 CO -0.04 0.18 -1.14 1.49 -0.57 0.00 0.00 179.45 179.37 1xi1 h GLU 338 N 0.08 0.31 0.00 3.15 4.81 -1.41 -3.37 114.58 118.15 1xi1 h GLU 338 Ca 0.02 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1xi1 h GLU 338 Cb 0.23 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xi1 h GLU 338 CO 0.01 1.25 -0.03 0.45 -0.73 0.00 0.00 179.01 179.97 1xi1 h HIS 339 N -0.27 0.00 -1.98 0.92 3.86 -1.25 -3.47 115.15 112.96 1xi1 h HIS 339 Ca -0.22 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.41 1xi1 h HIS 339 Cb 1.76 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 30.10 1xi1 h HIS 339 CO 0.16 0.03 -0.59 0.71 0.86 0.00 0.00 177.93 179.10 1xi1 s TYR 340 N -3.23 2.20 -0.26 2.45 1.51 -0.12 -0.05 117.35 119.85 1xi1 s TYR 340 Ca 0.06 -0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 55.21 1xi1 s TYR 340 Cb 0.05 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1xi1 s TYR 340 CO 0.67 0.22 0.06 -0.51 -1.11 0.00 0.00 175.55 174.88 1xi1 s ASP 341 N -3.65 5.02 -0.12 2.29 1.01 0.16 -4.73 116.67 116.65 1xi1 s ASP 341 Ca 0.31 -0.40 -0.12 0.00 0.71 0.00 0.00 52.55 53.06 1xi1 s ASP 341 Cb 0.08 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 1xi1 s ASP 341 CO 0.15 -0.09 0.25 -0.76 0.21 0.00 0.00 175.17 174.94 1xi1 s LEU 342 N 1.56 4.33 -0.04 1.23 1.43 -1.26 -1.42 118.68 124.50 1xi1 s LEU 342 Ca 0.05 0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.77 1xi1 s LEU 342 Cb -0.16 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1xi1 s LEU 342 CO 0.02 0.24 -0.25 -0.31 0.23 0.00 0.00 176.35 176.28 1xi1 s TYR 343 N -0.27 2.37 -1.13 0.29 1.51 0.12 -4.80 117.35 115.43 1xi1 s TYR 343 Ca 0.16 -0.62 -0.24 0.00 -1.01 0.00 0.00 57.07 55.37 1xi1 s TYR 343 Cb -0.13 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1xi1 s TYR 343 CO 0.05 -0.15 0.74 0.09 -1.11 0.00 0.00 175.55 175.16 1xi1 n ASN 344 N 2.78 -4.94 -4.68 2.29 3.02 -1.26 -2.16 115.26 110.31 1xi1 n ASN 344 Ca -0.17 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 52.86 1xi1 n ASN 344 Cb 0.52 -2.65 -0.03 0.00 -0.61 0.00 0.00 39.78 37.01 1xi1 n ASN 344 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xi1 s VAL 345 N -3.43 4.06 -0.26 2.41 1.01 -1.26 -4.48 120.40 118.44 1xi1 s VAL 345 Ca 0.43 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1xi1 s VAL 345 Cb -0.19 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1xi1 s VAL 345 CO 0.90 -0.04 -0.10 -0.70 0.00 0.00 0.00 175.10 175.16 1xi1 s GLU 346 N 2.76 2.28 -0.27 2.72 2.12 0.45 -4.98 118.70 123.78 1xi1 s GLU 346 Ca 0.59 -1.33 -0.27 0.00 0.36 0.00 0.00 54.97 54.32 1xi1 s GLU 346 Cb -0.26 -2.92 0.01 0.00 0.26 0.00 0.00 34.13 31.21 1xi1 s GLU 346 CO 0.22 -0.57 0.95 0.71 -0.54 0.00 0.00 175.26 176.03 1xi1 s TYR 347 N 1.12 3.26 -0.17 5.30 1.51 -1.26 -1.37 117.35 125.75 1xi1 s TYR 347 Ca -0.08 1.21 -0.14 0.00 -1.01 0.00 0.00 57.07 57.05 1xi1 s TYR 347 Cb -0.20 -3.30 -0.08 0.00 -0.11 0.00 0.00 41.96 38.27 1xi1 s TYR 347 CO -0.05 -0.54 -0.11 -0.89 -1.11 0.00 0.00 175.55 172.85 1xi1 n ILE 348 N 5.47 1.46 -3.59 2.71 5.41 -0.24 -4.30 119.36 126.28 1xi1 n ILE 348 Ca 0.09 0.11 0.02 0.00 1.00 0.00 0.00 62.75 63.97 1xi1 n ILE 348 Cb 0.47 -2.27 -0.00 0.00 -0.71 0.00 0.00 39.64 37.12 1xi1 n ILE 348 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xi1 s SER 349 N -6.13 -0.04 0.00 4.38 1.04 -1.20 -0.35 113.70 111.40 1xi1 s SER 349 Ca -0.21 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1xi1 s SER 349 Cb 0.04 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1xi1 s SER 349 CO 0.35 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1xi1 n GLY 350 N -0.45 2.95 2.98 7.32 0.00 -0.87 0.29 105.19 117.41 1xi1 n GLY 350 Ca -0.08 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 1xi1 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xi1 s LEU 351 N 0.00 1.72 0.06 0.99 1.43 0.37 -2.18 118.68 121.08 1xi1 s LEU 351 Ca 0.00 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1xi1 s LEU 351 Cb 0.00 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 1xi1 s LEU 351 CO 0.00 0.04 0.07 -0.54 0.23 0.00 0.00 176.35 176.15 1xi1 s LYS 352 N 0.31 2.88 0.06 1.70 1.02 -0.50 -1.10 119.74 124.10 1xi1 s LYS 352 Ca -0.05 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.29 1xi1 s LYS 352 Cb -0.09 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1xi1 s LYS 352 CO 0.01 0.58 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.88 1xi1 s PHE 353 N -1.34 0.72 0.68 3.18 0.40 -0.39 -1.79 117.98 119.43 1xi1 s PHE 353 Ca 0.28 -0.64 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 1xi1 s PHE 353 Cb -0.12 -0.43 -0.00 0.00 0.51 0.00 0.00 43.02 42.98 1xi1 s PHE 353 CO 0.20 -0.12 1.05 0.15 0.70 0.00 0.00 175.22 177.21 1xi1 s LYS 354 N -2.32 3.06 0.08 0.44 1.02 -1.22 -3.02 119.74 117.77 1xi1 s LYS 354 Ca -0.03 0.92 -0.09 0.00 0.02 0.00 0.00 55.97 56.80 1xi1 s LYS 354 Cb -0.05 -2.01 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1xi1 s LYS 354 CO -0.02 -1.00 0.19 0.00 -0.92 0.00 0.00 175.35 173.60 1xi1 s ALA 355 N -3.06 -0.23 0.16 5.17 0.00 -1.26 -2.11 121.76 120.43 1xi1 s ALA 355 Ca 0.58 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1xi1 s ALA 355 Cb -0.14 0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1xi1 s ALA 355 CO 0.55 -0.48 0.50 -0.08 0.00 0.00 0.00 175.76 176.25 1xi1 s THR 356 N -3.64 0.03 -1.08 0.00 -1.32 -0.07 -4.94 115.64 104.64 1xi1 s THR 356 Ca 0.03 -0.53 0.09 0.00 -1.21 0.00 0.00 61.69 60.07 1xi1 s THR 356 Cb 0.04 -1.31 0.12 0.00 -1.51 0.00 0.00 72.50 69.84 1xi1 s THR 356 CO -0.10 -0.16 0.90 0.35 -2.21 0.00 0.00 174.62 173.41 1xi1 n THR 357 N -0.31 0.26 -0.55 5.08 -2.24 -1.26 -1.18 114.28 114.07 1xi1 n THR 357 Ca -0.14 -0.63 0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1xi1 n THR 357 Cb 0.63 1.02 0.15 0.00 -2.10 0.00 0.00 70.33 70.04 1xi1 n THR 357 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xi1 n GLY 358 N 0.49 3.57 0.21 3.38 0.00 -1.26 -4.52 105.19 107.05 1xi1 n GLY 358 Ca 0.07 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1xi1 n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xi1 h LEU 359 N 1.21 0.00 -0.38 0.99 3.38 -1.87 -3.35 115.31 115.29 1xi1 h LEU 359 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xi1 h LEU 359 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xi1 h LEU 359 CO 0.07 0.31 -0.22 0.49 0.09 0.00 0.00 178.44 179.18 1xi1 n PHE 360 N -3.63 0.00 -0.19 1.13 3.01 -1.26 -4.76 117.46 111.75 1xi1 n PHE 360 Ca -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 1xi1 n PHE 360 Cb 0.43 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.99 1xi1 n PHE 360 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xi1 h LYS 361 N 0.43 0.45 -0.45 -1.08 1.57 -1.81 -0.02 116.57 115.66 1xi1 h LYS 361 Ca 0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1xi1 h LYS 361 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1xi1 h LYS 361 CO 0.00 0.30 0.10 -0.44 -0.57 0.00 0.00 179.45 178.84 1xi1 h ASP 362 N 0.47 0.69 -0.72 0.86 3.32 -1.86 0.46 116.42 119.65 1xi1 h ASP 362 Ca 0.27 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1xi1 h ASP 362 Cb 0.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1xi1 h ASP 362 CO -0.24 0.75 0.31 0.15 -1.72 0.00 0.00 179.24 178.50 1xi1 h PHE 363 N 0.60 1.07 -0.00 4.55 3.57 -1.81 -1.38 116.94 123.53 1xi1 h PHE 363 Ca 0.14 -0.07 -0.22 0.00 3.53 0.00 0.00 57.97 61.35 1xi1 h PHE 363 Cb 0.34 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1xi1 h PHE 363 CO 0.02 0.81 -0.92 0.82 -2.23 0.00 0.00 178.31 176.81 1xi1 h ILE 364 N 1.02 1.41 -0.07 1.41 2.04 -0.76 -2.64 117.51 119.93 1xi1 h ILE 364 Ca 0.24 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 1xi1 h ILE 364 Cb 0.17 2.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1xi1 h ILE 364 CO -0.02 0.73 0.02 0.44 0.00 0.00 0.00 178.15 179.32 1xi1 h ASP 365 N 0.21 0.10 0.24 1.72 3.32 0.05 -0.90 116.42 121.16 1xi1 h ASP 365 Ca -0.07 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.78 1xi1 h ASP 365 Cb 1.56 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 41.05 1xi1 h ASP 365 CO 0.16 0.28 -0.37 0.50 -1.72 0.00 0.00 179.24 178.09 1xi1 h LYS 366 N -0.08 -0.65 0.00 3.56 3.64 -1.29 -1.68 116.57 120.08 1xi1 h LYS 366 Ca 0.02 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xi1 h LYS 366 Cb 0.21 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xi1 h LYS 366 CO -0.00 -0.43 0.00 -1.49 -2.27 0.00 0.00 179.45 175.25 1xi1 h TRP 367 N -0.68 0.00 0.02 1.91 4.06 -1.51 -2.45 115.95 117.30 1xi1 h TRP 367 Ca 0.00 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.73 1xi1 h TRP 367 Cb 0.65 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1xi1 h TRP 367 CO -0.27 0.00 -1.02 1.15 -3.56 0.00 0.00 178.44 174.74 1xi1 h THR 368 N 0.00 1.67 0.21 1.49 2.02 -1.02 -1.76 112.91 115.51 1xi1 h THR 368 Ca 0.00 -3.29 -0.01 0.00 0.77 0.00 0.00 66.41 63.88 1xi1 h THR 368 Cb 0.70 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1xi1 h THR 368 CO 0.00 0.94 -0.10 0.22 0.37 0.00 0.00 175.52 176.95 1xi1 h TYR 369 N 0.02 -0.26 -0.83 3.16 3.20 -1.14 -1.06 116.97 120.06 1xi1 h TYR 369 Ca -0.03 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.97 1xi1 h TYR 369 Cb 1.77 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 40.06 1xi1 h TYR 369 CO 0.01 0.11 0.54 0.82 -1.64 0.00 0.00 178.16 178.00 1xi1 h ILE 370 N -0.69 0.85 -0.32 1.81 2.04 -1.49 0.23 117.51 119.94 1xi1 h ILE 370 Ca -0.03 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1xi1 h ILE 370 Cb 0.48 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1xi1 h ILE 370 CO 0.05 0.11 -0.03 0.50 0.00 0.00 0.00 178.15 178.79 1xi1 h LYS 371 N 0.63 0.58 0.00 2.37 3.11 -1.12 -1.81 116.57 120.33 1xi1 h LYS 371 Ca 0.41 -0.20 -0.09 0.00 -2.81 0.00 0.00 60.65 57.97 1xi1 h LYS 371 Cb 0.69 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1xi1 h LYS 371 CO -0.17 0.73 -0.41 1.15 -2.81 0.00 0.00 179.45 177.94 1xi1 h THR 372 N 0.37 0.91 -0.64 1.00 2.02 0.17 -3.19 112.91 113.55 1xi1 h THR 372 Ca 0.09 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1xi1 h THR 372 Cb 0.49 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1xi1 h THR 372 CO 0.02 0.40 0.00 0.35 0.37 0.00 0.00 175.52 176.66 1xi1 n THR 373 N -3.50 1.32 -4.64 3.16 -2.24 0.68 -5.00 114.28 104.06 1xi1 n THR 373 Ca 0.00 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.40 1xi1 n THR 373 Cb 0.55 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 69.05 1xi1 n THR 373 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xi1 s SER 374 N -1.00 3.54 0.05 3.42 0.01 -0.69 -5.00 113.70 114.02 1xi1 s SER 374 Ca 0.46 -1.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.11 1xi1 s SER 374 Cb 0.26 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 1xi1 s SER 374 CO 0.27 -0.80 -0.01 -0.70 0.41 0.00 0.00 173.24 172.42 1xi1 s GLU 375 N -3.81 0.56 2.86 12.44 2.12 -1.26 -4.75 118.70 126.86 1xi1 s GLU 375 Ca 0.18 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1xi1 s GLU 375 Cb 0.04 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1xi1 s GLU 375 CO 0.10 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1xi1 n GLY 376 N 0.45 2.85 0.18 -1.50 0.00 -1.26 -3.32 105.19 102.59 1xi1 n GLY 376 Ca -0.16 0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1xi1 n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi1 h ALA 377 N -0.36 -0.64 -0.85 4.61 0.00 -1.69 -1.57 119.26 118.76 1xi1 h ALA 377 Ca 0.00 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1xi1 h ALA 377 Cb 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1xi1 h ALA 377 CO 0.00 -0.70 0.58 0.82 0.00 0.00 0.00 179.25 179.95 1xi1 h ILE 378 N -0.24 0.65 -0.15 0.00 1.08 -1.93 -1.01 117.51 115.91 1xi1 h ILE 378 Ca 0.01 -0.08 -0.21 0.00 -0.39 0.00 0.00 64.86 64.19 1xi1 h ILE 378 Cb 0.26 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1xi1 h ILE 378 CO -0.15 0.04 -0.73 0.50 -0.69 0.00 0.00 178.15 177.12 1xi1 h LYS 379 N 0.24 0.70 -0.08 2.37 3.64 -1.48 -1.90 116.57 120.06 1xi1 h LYS 379 Ca 0.43 -0.55 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1xi1 h LYS 379 Cb 1.29 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1xi1 h LYS 379 CO -0.11 1.17 -0.56 1.96 -2.27 0.00 0.00 179.45 179.64 1xi1 h GLN 380 N 0.49 0.23 -0.23 1.90 1.08 -0.23 -2.38 115.11 115.97 1xi1 h GLN 380 Ca -0.04 -0.15 -0.16 0.00 -1.45 0.00 0.00 58.65 56.85 1xi1 h GLN 380 Cb 1.34 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1xi1 h GLN 380 CO 0.15 0.73 -0.52 -0.07 -0.95 0.00 0.00 178.83 178.16 1xi1 h LEU 381 N 0.18 0.73 -0.58 1.46 3.38 -1.25 -1.74 115.31 117.49 1xi1 h LEU 381 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xi1 h LEU 381 Cb 1.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1xi1 h LEU 381 CO 0.09 1.11 0.32 0.00 0.09 0.00 0.00 178.44 180.05 1xi1 h ALA 382 N 0.90 0.74 -0.81 1.53 0.00 -1.15 -0.23 119.26 120.24 1xi1 h ALA 382 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xi1 h ALA 382 Cb 1.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1xi1 h ALA 382 CO 0.11 0.25 0.39 0.87 0.00 0.00 0.00 179.25 180.86 1xi1 h LYS 383 N 0.78 1.17 -0.57 0.00 1.57 -1.29 -1.79 116.57 116.44 1xi1 h LYS 383 Ca 0.20 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1xi1 h LYS 383 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1xi1 h LYS 383 CO -0.03 0.90 0.26 -0.07 -0.57 0.00 0.00 179.45 179.94 1xi1 h LEU 384 N 1.16 0.76 -0.57 2.94 3.38 -0.54 0.14 115.31 122.58 1xi1 h LEU 384 Ca 0.28 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1xi1 h LEU 384 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1xi1 h LEU 384 CO -0.04 0.69 0.35 0.24 0.09 0.00 0.00 178.44 179.78 1xi1 h MET 385 N 0.78 0.68 -0.11 1.13 2.86 -0.70 0.40 114.93 119.97 1xi1 h MET 385 Ca 0.19 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.63 1xi1 h MET 385 Cb 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1xi1 h MET 385 CO -0.02 0.45 -0.63 -0.07 1.06 0.00 0.00 176.91 177.70 1xi1 h LEU 386 N 0.70 0.47 0.00 1.22 3.38 -0.89 -3.31 115.31 116.87 1xi1 h LEU 386 Ca 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xi1 h LEU 386 Cb -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xi1 h LEU 386 CO -0.09 0.98 -0.86 0.78 0.09 0.00 0.00 178.44 179.34 1xi1 h ASN 387 N 0.30 0.00 0.19 -0.43 2.35 -0.49 -3.37 115.58 114.13 1xi1 h ASN 387 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1xi1 h ASN 387 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1xi1 h ASN 387 CO 0.11 0.03 -0.41 -1.20 -1.65 0.00 0.00 177.43 174.31 1xi1 n SER 388 N -2.76 1.19 -0.03 5.81 7.64 0.11 -4.39 113.62 121.20 1xi1 n SER 388 Ca 0.00 -0.96 -0.13 0.00 1.01 0.00 0.00 58.87 58.79 1xi1 n SER 388 Cb 0.56 0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.98 1xi1 n SER 388 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xi1 h LEU 389 N 1.23 0.15 -0.61 -3.43 5.85 -1.73 -3.26 115.31 113.50 1xi1 h LEU 389 Ca 0.00 -0.50 0.13 0.00 0.84 0.00 0.00 57.88 58.35 1xi1 h LEU 389 Cb 0.57 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 1xi1 h LEU 389 CO 0.00 0.62 0.01 0.22 -0.34 0.00 0.00 178.44 178.95 1xi1 h TYR 390 N -0.31 -0.02 -1.03 1.25 3.20 -1.84 -1.15 116.97 117.07 1xi1 h TYR 390 Ca 0.01 0.04 0.28 0.00 3.14 0.00 0.00 58.73 62.21 1xi1 h TYR 390 Cb 0.58 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 1xi1 h TYR 390 CO 0.10 -0.15 0.72 0.78 -1.64 0.00 0.00 178.16 177.96 1xi1 h GLY 391 N 0.13 0.36 2.00 1.82 0.00 -1.81 -1.72 103.07 103.85 1xi1 h GLY 391 Ca 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1xi1 h GLY 391 CO -0.51 -0.03 -0.08 0.50 0.00 0.00 0.00 176.54 176.42 1xi1 h LYS 392 N 0.13 0.00 0.06 4.80 1.79 -1.31 -3.12 116.57 118.92 1xi1 h LYS 392 Ca 0.51 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.65 1xi1 h LYS 392 Cb 1.80 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.41 1xi1 h LYS 392 CO -0.09 0.08 -1.91 1.19 -1.08 0.00 0.00 179.45 177.64 1xi1 n PHE 393 N -3.28 1.03 -1.46 -1.35 3.01 -0.65 -4.14 117.46 110.61 1xi1 n PHE 393 Ca -0.01 0.29 -0.28 0.00 1.01 0.00 0.00 57.45 58.46 1xi1 n PHE 393 Cb 0.29 -1.16 -0.03 0.00 -0.01 0.00 0.00 39.48 38.57 1xi1 n PHE 393 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xi1 n ALA 394 N -2.80 6.29 -2.19 4.37 0.00 -1.18 -4.03 120.51 120.98 1xi1 n ALA 394 Ca -0.26 -3.03 -0.24 0.00 0.00 0.00 0.00 53.44 49.92 1xi1 n ALA 394 Cb 1.05 -2.02 0.02 0.00 0.00 0.00 0.00 19.45 18.51 1xi1 n ALA 394 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xi1 s SER 395 N 0.06 5.63 0.51 0.00 0.15 -1.21 -4.95 113.70 113.89 1xi1 s SER 395 Ca 0.55 0.34 -0.06 0.00 0.70 0.00 0.00 55.95 57.48 1xi1 s SER 395 Cb 0.38 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1xi1 s SER 395 CO -0.21 -0.91 0.82 0.20 1.20 0.00 0.00 173.24 174.35 1xi1 s ASN 396 N -4.29 6.22 0.00 5.45 0.01 -1.26 -4.98 114.94 116.09 1xi1 s ASN 396 Ca 0.52 0.98 0.00 0.00 -0.71 0.00 0.00 52.86 53.65 1xi1 s ASN 396 Cb -0.10 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1xi1 s ASN 396 CO 0.40 -0.64 0.00 -0.81 -1.51 0.00 0.00 177.10 174.54 1xi1 n PRO 397 N -2.34 0.00 -2.31 -0.60 -0.04 -1.26 -4.84 135.00 123.60 1xi1 n PRO 397 Ca 0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 1xi1 n PRO 397 Cb 0.55 -0.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 1xi1 n PRO 397 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1xi1 s ASP 398 N -1.64 6.66 -0.28 3.54 -4.77 -1.26 -3.59 116.67 115.33 1xi1 s ASP 398 Ca 0.00 2.35 0.12 0.00 -3.30 0.00 0.00 52.55 51.72 1xi1 s ASP 398 Cb 0.00 -2.62 0.75 0.00 -1.09 0.00 0.00 42.92 39.96 1xi1 s ASP 398 CO 0.00 -0.58 1.74 0.52 0.70 0.00 0.00 175.17 177.55 1xi1 n VAL 399 N 0.28 2.81 -1.69 2.11 0.31 0.13 -4.93 118.33 117.35 1xi1 n VAL 399 Ca 0.03 -1.63 -0.44 0.00 -0.01 0.00 0.00 64.34 62.30 1xi1 n VAL 399 Cb 0.46 -0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 33.03 1xi1 n VAL 399 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1xi1 n THR 400 N 0.04 0.25 -4.07 2.52 -1.04 -1.15 -4.84 114.28 105.97 1xi1 n THR 400 Ca 0.34 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.27 1xi1 n THR 400 Cb 1.27 -1.95 -0.01 0.00 -1.82 0.00 0.00 70.33 67.82 1xi1 n THR 400 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xi1 n GLY 401 N 4.03 3.87 3.79 3.41 0.00 -1.26 -3.69 105.19 115.34 1xi1 n GLY 401 Ca 0.18 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1xi1 n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi1 s LYS 402 N -2.28 4.33 -0.17 1.61 1.02 -0.71 0.12 119.74 123.67 1xi1 s LYS 402 Ca 0.06 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.93 1xi1 s LYS 402 Cb 0.00 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1xi1 s LYS 402 CO 0.04 0.57 -0.16 0.08 -0.92 0.00 0.00 175.35 174.96 1xi1 s VAL 403 N -0.96 2.53 0.66 3.17 1.01 0.60 -4.44 120.40 122.98 1xi1 s VAL 403 Ca 0.32 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1xi1 s VAL 403 Cb -0.20 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1xi1 s VAL 403 CO 0.21 0.51 1.06 -2.16 0.00 0.00 0.00 175.10 174.73 1xi1 s PRO 404 N 0.99 3.24 0.02 2.72 0.04 -1.26 -0.99 135.00 139.75 1xi1 s PRO 404 Ca -0.02 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 1xi1 s PRO 404 Cb -0.15 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.43 1xi1 s PRO 404 CO -0.03 -0.80 0.78 1.52 0.04 0.00 0.00 177.00 178.50 1xi1 s TYR 405 N -3.27 -0.47 -0.13 0.56 -0.85 -0.69 -4.82 117.35 107.69 1xi1 s TYR 405 Ca 0.57 0.47 -0.16 0.00 -0.52 0.00 0.00 57.07 57.43 1xi1 s TYR 405 Cb -0.11 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 1xi1 s TYR 405 CO 0.53 -0.62 0.38 -1.17 -1.52 0.00 0.00 175.55 173.15 1xi1 s LEU 406 N -2.14 4.28 0.71 -3.49 2.96 -1.26 0.15 118.68 119.90 1xi1 s LEU 406 Ca -0.00 0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1xi1 s LEU 406 Cb -0.01 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.22 1xi1 s LEU 406 CO -0.05 0.08 1.02 -0.54 -1.32 0.00 0.00 176.35 175.54 1xi1 s LYS 407 N 0.36 2.10 0.44 1.98 1.02 0.48 -4.90 119.74 121.22 1xi1 s LYS 407 Ca 0.21 -0.34 0.24 0.00 0.02 0.00 0.00 55.97 56.10 1xi1 s LYS 407 Cb -0.14 -2.17 0.97 0.00 -0.52 0.00 0.00 37.83 35.96 1xi1 s LYS 407 CO 0.08 -1.29 1.85 1.49 -0.92 0.00 0.00 175.35 176.55 1xi1 h GLU 408 N -0.62 0.00 -0.05 1.68 4.81 -1.98 -2.37 114.58 116.05 1xi1 h GLU 408 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1xi1 h GLU 408 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1xi1 h GLU 408 CO 0.58 0.23 0.00 0.27 -0.73 0.00 0.00 179.01 179.36 1xi1 n ASN 409 N -3.46 0.47 0.00 1.04 2.04 -1.26 -4.89 115.26 109.20 1xi1 n ASN 409 Ca -0.00 -1.55 0.00 0.00 -0.44 0.00 0.00 54.58 52.59 1xi1 n ASN 409 Cb 0.41 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 1xi1 n ASN 409 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xi1 n GLY 410 N 0.86 2.56 3.93 4.83 0.00 -0.89 -4.54 105.19 111.94 1xi1 n GLY 410 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1xi1 n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi1 s ALA 411 N -2.31 3.51 0.42 4.61 0.00 -1.26 -3.94 121.76 122.79 1xi1 s ALA 411 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 50.98 1xi1 s ALA 411 Cb 0.00 -2.40 -0.11 0.00 0.00 0.00 0.00 23.12 20.61 1xi1 s ALA 411 CO 0.00 -0.44 0.94 -0.51 0.00 0.00 0.00 175.76 175.75 1xi1 s LEU 412 N -4.70 3.99 0.31 0.00 1.43 -1.26 -0.39 118.68 118.05 1xi1 s LEU 412 Ca 0.48 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 55.34 1xi1 s LEU 412 Cb -0.10 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 1xi1 s LEU 412 CO 0.42 -0.32 -0.00 -0.83 0.23 0.00 0.00 176.35 175.84 1xi1 s GLY 413 N -2.12 1.97 -0.02 -3.19 0.00 0.12 -4.82 107.32 99.27 1xi1 s GLY 413 Ca 0.60 -1.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 1xi1 s GLY 413 CO 0.14 -1.84 0.09 -1.36 0.00 0.00 0.00 173.10 170.13 1xi1 s PHE 414 N -3.12 -0.00 0.07 1.90 0.40 -1.26 -1.71 117.98 114.26 1xi1 s PHE 414 Ca 0.33 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.69 1xi1 s PHE 414 Cb 0.06 -0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.53 1xi1 s PHE 414 CO 0.14 -0.14 -0.06 -0.98 0.70 0.00 0.00 175.22 174.87 1xi1 s ARG 415 N -0.61 0.68 0.28 0.44 1.70 -0.16 -4.90 118.95 116.38 1xi1 s ARG 415 Ca -0.07 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 53.81 1xi1 s ARG 415 Cb -0.04 -0.18 -0.11 0.00 -0.57 0.00 0.00 34.95 34.05 1xi1 s ARG 415 CO 0.00 -0.00 1.48 -1.17 -1.08 0.00 0.00 175.30 174.53 1xi1 s LEU 416 N -2.45 4.37 0.56 -1.89 2.96 -1.26 -0.29 118.68 120.68 1xi1 s LEU 416 Ca 0.02 2.78 -0.07 0.00 -0.22 0.00 0.00 54.13 56.65 1xi1 s LEU 416 Cb -0.01 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 1xi1 s LEU 416 CO -0.03 -0.76 0.89 -0.83 -1.32 0.00 0.00 176.35 174.30 1xi1 s GLY 417 N 0.29 1.57 0.80 7.98 0.00 0.12 -4.80 107.32 113.28 1xi1 s GLY 417 Ca 0.59 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.69 1xi1 s GLY 417 CO 0.47 -0.24 0.66 1.18 0.00 0.00 0.00 173.10 175.17 1xi1 n GLU 418 N -2.51 0.14 -1.34 2.90 1.02 -1.26 -4.67 120.64 114.92 1xi1 n GLU 418 Ca 0.03 0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.91 1xi1 n GLU 418 Cb 0.56 -1.99 0.07 0.00 -0.02 0.00 0.00 31.44 30.06 1xi1 n GLU 418 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xi1 n GLU 419 N -1.56 0.42 -3.64 3.49 2.13 -1.26 -4.70 120.64 115.52 1xi1 n GLU 419 Ca 0.10 0.19 -0.05 0.00 0.66 0.00 0.00 57.16 58.06 1xi1 n GLU 419 Cb 0.51 -1.94 -0.07 0.00 0.27 0.00 0.00 31.44 30.21 1xi1 n GLU 419 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1xi1 s GLU 420 N -2.82 0.48 0.02 5.31 2.12 -1.26 -4.96 118.70 117.59 1xi1 s GLU 420 Ca 0.69 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.82 1xi1 s GLU 420 Cb -0.36 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.13 1xi1 s GLU 420 CO 0.55 -0.09 -0.07 -0.08 -0.54 0.00 0.00 175.26 175.02 1xi1 s THR 421 N 1.22 0.52 0.00 -1.70 -1.32 -1.26 0.17 115.64 113.26 1xi1 s THR 421 Ca -0.07 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1xi1 s THR 421 Cb -0.04 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1xi1 s THR 421 CO -0.14 -0.15 0.00 2.29 -2.21 0.00 0.00 174.62 174.41 1xi1 n LYS 422 N 2.11 3.84 -4.42 7.08 2.85 -1.24 -4.87 118.16 123.52 1xi1 n LYS 422 Ca -0.18 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.80 1xi1 n LYS 422 Cb 0.56 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.77 1xi1 n LYS 422 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xi1 s ASP 423 N -0.24 2.23 0.71 -5.58 1.11 -1.26 -4.98 116.67 108.65 1xi1 s ASP 423 Ca 0.00 -0.38 -0.16 0.00 0.18 0.00 0.00 52.55 52.19 1xi1 s ASP 423 Cb 0.00 -0.99 0.02 0.00 1.07 0.00 0.00 42.92 43.03 1xi1 s ASP 423 CO 0.00 0.00 1.25 -2.84 1.18 0.00 0.00 175.17 174.77 1xi1 s PRO 424 N 1.00 2.22 0.00 8.23 0.02 -1.26 -4.99 135.00 140.22 1xi1 s PRO 424 Ca -0.07 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1xi1 s PRO 424 Cb -0.15 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1xi1 s PRO 424 CO -0.01 -1.81 0.03 0.28 -0.33 0.00 0.00 177.00 175.15 1xi1 n VAL 425 N -2.44 0.00 -3.23 3.83 0.31 -1.26 -4.90 118.33 110.64 1xi1 n VAL 425 Ca 0.15 0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.44 1xi1 n VAL 425 Cb 0.49 -0.12 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 1xi1 n VAL 425 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1xi1 s TYR 426 N -0.06 -0.90 0.28 3.52 5.04 -1.26 -4.76 117.35 119.21 1xi1 s TYR 426 Ca 0.00 -0.49 0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1xi1 s TYR 426 Cb 0.00 -0.08 0.65 0.00 0.35 0.00 0.00 41.96 42.88 1xi1 s TYR 426 CO 0.00 -1.08 1.71 1.15 -1.34 0.00 0.00 175.55 175.99 1xi1 h THR 427 N 4.98 0.53 -0.75 4.34 2.02 -1.91 -1.32 112.91 120.81 1xi1 h THR 427 Ca 0.07 -0.15 0.21 0.00 0.77 0.00 0.00 66.41 67.31 1xi1 h THR 427 Cb 1.10 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1xi1 h THR 427 CO 0.15 0.08 0.53 -0.65 0.37 0.00 0.00 175.52 176.00 1xi1 h PRO 428 N 0.43 0.06 -0.16 6.66 0.11 -1.94 -0.66 132.00 136.50 1xi1 h PRO 428 Ca 0.52 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.58 1xi1 h PRO 428 Cb 0.93 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xi1 h PRO 428 CO -0.49 0.04 -0.09 1.98 -0.21 0.00 0.00 178.00 179.23 1xi1 h MET 429 N 0.06 0.34 -0.32 1.05 4.05 -1.53 -2.77 114.93 115.82 1xi1 h MET 429 Ca 0.36 -0.15 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1xi1 h MET 429 Cb 1.34 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.12 1xi1 h MET 429 CO -0.03 0.66 -0.04 0.78 0.23 0.00 0.00 176.91 178.52 1xi1 h GLY 430 N 0.01 0.54 0.89 1.39 0.00 -1.20 -1.07 103.07 103.63 1xi1 h GLY 430 Ca 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xi1 h GLY 430 CO 0.03 0.30 0.07 -2.08 0.00 0.00 0.00 176.54 174.86 1xi1 h VAL 431 N 0.47 1.14 0.00 4.60 2.07 -1.32 -2.80 116.25 120.41 1xi1 h VAL 431 Ca 0.10 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 1xi1 h VAL 431 Cb 0.37 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1xi1 h VAL 431 CO 0.01 0.13 -0.66 -0.26 0.02 0.00 0.00 177.57 176.82 1xi1 h PHE 432 N 0.12 0.00 -0.27 1.57 -1.00 -1.21 -1.15 116.94 114.99 1xi1 h PHE 432 Ca 0.05 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.72 1xi1 h PHE 432 Cb 0.15 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 1xi1 h PHE 432 CO -0.02 0.66 -0.27 0.82 -1.61 0.00 0.00 178.31 177.88 1xi1 h ILE 433 N 0.00 1.31 -0.18 -0.55 2.04 -1.21 -1.54 117.51 117.37 1xi1 h ILE 433 Ca -0.01 -1.44 -0.16 0.00 1.00 0.00 0.00 64.86 64.25 1xi1 h ILE 433 Cb 1.35 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1xi1 h ILE 433 CO 0.09 0.46 -0.56 0.71 0.00 0.00 0.00 178.15 178.84 1xi1 h THR 434 N 0.40 1.32 -0.04 -0.27 1.35 -1.51 -1.85 112.91 112.32 1xi1 h THR 434 Ca 0.04 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1xi1 h THR 434 Cb 0.84 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1xi1 h THR 434 CO 0.07 0.56 0.02 0.00 -0.25 0.00 0.00 175.52 175.93 1xi1 h ALA 435 N 0.97 0.05 -0.41 6.62 0.00 -1.12 0.14 119.26 125.50 1xi1 h ALA 435 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xi1 h ALA 435 Cb 1.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1xi1 h ALA 435 CO 0.10 -0.44 0.15 -1.49 0.00 0.00 0.00 179.25 177.57 1xi1 h TRP 436 N 0.03 0.58 -0.52 0.00 4.06 -1.26 0.34 115.95 119.19 1xi1 h TRP 436 Ca 0.01 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1xi1 h TRP 436 Cb 0.02 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1xi1 h TRP 436 CO -0.07 0.46 0.14 0.00 -3.56 0.00 0.00 178.44 175.42 1xi1 h ALA 437 N 1.60 0.68 -0.33 1.49 0.00 -0.69 0.09 119.26 122.09 1xi1 h ALA 437 Ca 0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1xi1 h ALA 437 Cb 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xi1 h ALA 437 CO -0.01 0.36 -0.38 0.00 0.00 0.00 0.00 179.25 179.22 1xi1 h ARG 438 N 0.71 0.84 -0.80 0.00 3.08 -0.08 -2.74 114.38 115.39 1xi1 h ARG 438 Ca 0.16 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.79 1xi1 h ARG 438 Cb 0.31 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1xi1 h ARG 438 CO -0.00 1.10 0.53 -0.92 -1.07 0.00 0.00 179.97 179.61 1xi1 h TYR 439 N 0.63 0.95 -0.04 3.04 3.20 -0.02 0.19 116.97 124.92 1xi1 h TYR 439 Ca 0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xi1 h TYR 439 Cb 0.97 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1xi1 h TYR 439 CO 0.07 0.55 0.01 1.15 -1.64 0.00 0.00 178.16 178.30 1xi1 h THR 440 N 0.99 1.18 -0.19 1.81 2.02 -0.80 -2.45 112.91 115.47 1xi1 h THR 440 Ca 0.32 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1xi1 h THR 440 Cb 0.04 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1xi1 h THR 440 CO -0.09 0.15 -0.14 0.74 0.37 0.00 0.00 175.52 176.54 1xi1 h THR 441 N -0.15 1.32 0.12 3.16 2.02 -1.20 -3.15 112.91 115.04 1xi1 h THR 441 Ca 0.01 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 1xi1 h THR 441 Cb 0.23 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1xi1 h THR 441 CO 0.00 0.38 -0.06 0.40 0.37 0.00 0.00 175.52 176.61 1xi1 h ILE 442 N 0.10 0.91 0.00 3.11 2.04 -0.69 -2.14 117.51 120.84 1xi1 h ILE 442 Ca 0.04 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1xi1 h ILE 442 Cb 0.66 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1xi1 h ILE 442 CO 0.04 0.03 -0.07 0.71 0.00 0.00 0.00 178.15 178.85 1xi1 h THR 443 N -0.22 0.92 -0.05 -0.27 1.35 -1.55 0.62 112.91 113.72 1xi1 h THR 443 Ca -0.02 -0.26 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 1xi1 h THR 443 Cb 0.17 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1xi1 h THR 443 CO 0.03 0.07 -0.58 0.00 -0.25 0.00 0.00 175.52 174.79 1xi1 h ALA 444 N 1.93 0.13 -0.52 6.62 0.00 -1.47 -1.99 119.26 123.96 1xi1 h ALA 444 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1xi1 h ALA 444 Cb 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xi1 h ALA 444 CO 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 1xi1 h ALA 445 N 0.39 0.71 -0.04 0.00 0.00 -1.01 -2.47 119.26 116.84 1xi1 h ALA 445 Ca -0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1xi1 h ALA 445 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xi1 h ALA 445 CO 0.12 0.63 -0.31 0.37 0.00 0.00 0.00 179.25 180.06 1xi1 h GLN 446 N 0.86 0.08 0.00 0.00 5.75 -0.92 -1.37 115.11 119.51 1xi1 h GLN 446 Ca 0.13 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1xi1 h GLN 446 Cb 0.69 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1xi1 h GLN 446 CO 0.05 0.38 0.00 0.00 -2.65 0.00 0.00 178.83 176.61 1xi1 h ALA 447 N 1.62 1.00 -0.16 3.38 0.00 -0.90 -2.24 119.26 121.96 1xi1 h ALA 447 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1xi1 h ALA 447 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1xi1 h ALA 447 CO 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.97 1xi1 h TYR 449 N 1.00 0.81 -0.77 0.00 3.20 -0.67 -1.08 116.97 119.46 1xi1 h TYR 449 Ca 0.10 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.05 1xi1 h TYR 449 Cb 1.29 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 1xi1 h TYR 449 CO 0.89 -0.13 0.51 -0.44 -1.64 0.00 0.00 178.16 177.35 1xi1 h ASP 450 N 0.35 0.80 -0.21 -2.11 3.32 -1.87 -3.11 116.42 113.59 1xi1 h ASP 450 Ca 0.67 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1xi1 h ASP 450 Cb 1.44 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1xi1 h ASP 450 CO -0.59 0.55 0.00 0.54 -1.72 0.00 0.00 179.24 178.02 1xi1 n ARG 451 N -4.46 1.84 -2.24 3.56 1.74 -0.50 -5.00 116.66 111.60 1xi1 n ARG 451 Ca 0.10 -1.72 -0.42 0.00 -0.77 0.00 0.00 57.85 55.04 1xi1 n ARG 451 Cb 0.13 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1xi1 n ARG 451 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xi1 s ILE 452 N -1.05 3.61 -0.10 0.55 1.10 -0.66 -0.39 121.20 124.26 1xi1 s ILE 452 Ca 0.21 1.11 -0.07 0.00 -0.51 0.00 0.00 60.65 61.39 1xi1 s ILE 452 Cb 0.13 -3.71 -0.05 0.00 0.15 0.00 0.00 42.46 38.98 1xi1 s ILE 452 CO 0.18 0.05 -0.17 -0.38 -2.11 0.00 0.00 174.94 172.51 1xi1 n ILE 453 N 4.22 0.90 -3.83 2.00 5.41 0.19 -4.82 119.36 123.43 1xi1 n ILE 453 Ca 0.12 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.72 1xi1 n ILE 453 Cb 0.44 -1.75 -0.08 0.00 -0.71 0.00 0.00 39.64 37.54 1xi1 n ILE 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1xi1 s TYR 454 N -2.29 0.05 0.00 1.39 5.04 -1.01 -1.27 117.35 119.27 1xi1 s TYR 454 Ca -0.17 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1xi1 s TYR 454 Cb 0.05 -0.02 -0.00 0.00 0.35 0.00 0.00 41.96 42.34 1xi1 s TYR 454 CO 0.22 -0.47 -0.01 0.00 -1.34 0.00 0.00 175.55 173.94 1xi1 s ASP 456 N -0.34 0.63 0.00 0.00 -1.08 -0.87 -1.41 116.67 113.60 1xi1 s ASP 456 Ca -0.03 -2.15 0.00 0.00 -0.52 0.00 0.00 52.55 49.85 1xi1 s ASP 456 Cb -0.02 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1xi1 s ASP 456 CO -0.00 -0.18 0.00 0.41 0.52 0.00 0.00 175.17 175.92 1xi1 n THR 457 N 3.44 0.00 -0.67 1.71 -1.04 0.28 -2.87 114.28 115.13 1xi1 n THR 457 Ca 0.19 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.27 1xi1 n THR 457 Cb 0.49 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.11 1xi1 n THR 457 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1xi1 n ASP 458 N 0.06 2.51 -4.03 8.00 3.85 -1.26 -4.69 116.55 120.99 1xi1 n ASP 458 Ca 0.00 -2.67 -0.08 0.00 -0.71 0.00 0.00 54.79 51.33 1xi1 n ASP 458 Cb 0.00 -0.30 -0.10 0.00 -1.35 0.00 0.00 41.12 39.36 1xi1 n ASP 458 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1xi1 s SER 459 N -2.04 0.36 -0.04 -1.12 1.04 -1.14 -1.00 113.70 109.77 1xi1 s SER 459 Ca 0.23 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1xi1 s SER 459 Cb 0.19 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1xi1 s SER 459 CO 0.04 -0.46 -0.12 -0.63 0.98 0.00 0.00 173.24 173.05 1xi1 s ILE 460 N -2.75 1.03 -0.25 -1.02 1.01 -0.04 -2.05 121.20 117.13 1xi1 s ILE 460 Ca -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 1xi1 s ILE 460 Cb -0.01 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1xi1 s ILE 460 CO -0.06 0.31 -0.03 -1.00 0.00 0.00 0.00 174.94 174.16 1xi1 s HIS 461 N 0.25 3.04 0.13 3.97 3.76 0.59 -1.36 115.29 125.66 1xi1 s HIS 461 Ca -0.06 -1.26 0.09 0.00 -0.15 0.00 0.00 55.06 53.68 1xi1 s HIS 461 Cb -0.11 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1xi1 s HIS 461 CO 0.02 -0.65 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.60 1xi1 s LEU 462 N 1.40 2.82 0.72 0.89 1.43 -0.36 0.55 118.68 126.14 1xi1 s LEU 462 Ca 0.02 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1xi1 s LEU 462 Cb -0.16 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1xi1 s LEU 462 CO -0.03 0.16 1.10 0.42 0.23 0.00 0.00 176.35 178.23 1xi1 s THR 463 N -1.28 3.37 0.00 5.49 -4.23 0.48 -0.18 115.64 119.29 1xi1 s THR 463 Ca 0.20 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1xi1 s THR 463 Cb -0.10 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1xi1 s THR 463 CO 0.12 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1xi1 n GLY 464 N -2.88 -1.16 0.00 3.99 0.00 -0.60 -4.64 105.19 99.91 1xi1 n GLY 464 Ca 0.07 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xi1 n GLY 464 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xi1 n THR 465 N -1.32 0.28 -3.68 2.61 -2.24 -1.26 -2.90 114.28 105.77 1xi1 n THR 465 Ca 0.00 -0.40 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 1xi1 n THR 465 Cb 0.00 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 1xi1 n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xi1 s GLU 466 N -0.28 4.00 -0.14 -0.78 0.41 -1.26 -4.98 118.70 115.68 1xi1 s GLU 466 Ca 0.00 -0.30 -0.36 0.00 -0.41 0.00 0.00 54.97 53.90 1xi1 s GLU 466 Cb 0.00 -3.53 -0.13 0.00 -1.78 0.00 0.00 34.13 28.69 1xi1 s GLU 466 CO 0.00 -0.00 1.85 -0.89 -0.49 0.00 0.00 175.26 175.73 1xi1 n ILE 467 N 4.47 0.51 -1.66 -1.63 5.41 -1.26 -4.88 119.36 120.32 1xi1 n ILE 467 Ca -0.15 -0.09 -0.39 0.00 1.00 0.00 0.00 62.75 63.12 1xi1 n ILE 467 Cb 0.52 -1.71 0.03 0.00 -0.71 0.00 0.00 39.64 37.77 1xi1 n ILE 467 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1xi1 n PRO 468 N 6.32 1.39 -0.22 0.38 -0.02 -1.26 -4.84 135.00 136.75 1xi1 n PRO 468 Ca 0.24 0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1xi1 n PRO 468 Cb 0.25 -2.28 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1xi1 n PRO 468 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1xi1 h ASP 469 N 1.27 0.75 0.32 2.55 1.82 -1.99 -2.02 116.42 119.12 1xi1 h ASP 469 Ca -0.48 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1xi1 h ASP 469 Cb 1.33 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1xi1 h ASP 469 CO 0.55 0.59 0.00 1.33 -1.61 0.00 0.00 179.24 180.10 1xi1 n VAL 470 N -4.60 1.19 0.40 2.25 0.24 -1.26 -2.42 118.33 114.12 1xi1 n VAL 470 Ca 0.05 0.43 0.07 0.00 -2.04 0.00 0.00 64.34 62.85 1xi1 n VAL 470 Cb 0.05 -1.36 -0.10 0.00 -1.47 0.00 0.00 33.84 30.97 1xi1 n VAL 470 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1xi1 n ILE 471 N -1.91 0.00 -0.21 1.34 2.08 -0.81 -4.69 119.36 115.16 1xi1 n ILE 471 Ca 0.01 -0.23 -0.02 0.00 0.56 0.00 0.00 62.75 63.07 1xi1 n ILE 471 Cb 0.11 0.65 0.05 0.00 -0.75 0.00 0.00 39.64 39.70 1xi1 n ILE 471 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1xi1 h LYS 472 N 0.00 -0.06 0.00 0.38 1.57 -1.08 -1.08 116.57 116.30 1xi1 h LYS 472 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xi1 h LYS 472 Cb 0.49 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xi1 h LYS 472 CO 0.00 -0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.59 1xi1 n ASP 473 N -5.44 0.00 -0.21 0.86 10.43 -1.26 -2.90 116.55 118.02 1xi1 n ASP 473 Ca 0.07 -0.03 0.06 0.00 2.57 0.00 0.00 54.79 57.46 1xi1 n ASP 473 Cb 0.35 -0.22 0.08 0.00 1.84 0.00 0.00 41.12 43.17 1xi1 n ASP 473 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 1xi1 n ILE 474 N -1.22 1.14 -4.12 0.53 -5.35 -0.43 -5.02 119.36 104.89 1xi1 n ILE 474 Ca 0.07 -1.36 -0.35 0.00 -0.27 0.00 0.00 62.75 60.84 1xi1 n ILE 474 Cb 0.09 0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 37.99 1xi1 n ILE 474 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xi1 s VAL 475 N -1.72 4.64 -0.28 7.28 1.01 -1.09 -0.64 120.40 129.61 1xi1 s VAL 475 Ca 0.18 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 1xi1 s VAL 475 Cb 0.16 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.58 1xi1 s VAL 475 CO 0.02 0.51 0.76 -0.62 0.00 0.00 0.00 175.10 175.77 1xi1 s ASP 476 N 0.00 -0.78 0.54 3.32 -1.08 0.16 -4.85 116.67 113.99 1xi1 s ASP 476 Ca 0.05 1.36 0.20 0.00 -0.52 0.00 0.00 52.55 53.64 1xi1 s ASP 476 Cb -0.12 1.35 1.44 0.00 -1.46 0.00 0.00 42.92 44.13 1xi1 s ASP 476 CO 0.01 -0.22 2.18 -0.65 0.52 0.00 0.00 175.17 177.01 1xi1 h PRO 477 N 5.82 0.00 0.00 4.34 0.11 -1.95 -3.20 132.00 137.12 1xi1 h PRO 477 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xi1 h PRO 477 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xi1 h PRO 477 CO 0.11 0.00 -0.03 0.36 -0.21 0.00 0.00 178.00 178.24 1xi1 n LYS 478 N -4.33 2.59 -1.89 1.05 2.85 -1.26 -4.87 118.16 112.29 1xi1 n LYS 478 Ca -0.03 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.81 1xi1 n LYS 478 Cb 0.09 -0.24 -0.02 0.00 -0.65 0.00 0.00 35.03 34.21 1xi1 n LYS 478 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1xi1 s LYS 479 N -0.10 4.19 0.16 -1.58 2.20 -1.26 -4.91 119.74 118.45 1xi1 s LYS 479 Ca 0.00 2.43 -0.33 0.00 -0.36 0.00 0.00 55.97 57.71 1xi1 s LYS 479 Cb 0.00 -3.08 -0.13 0.00 -1.51 0.00 0.00 37.83 33.11 1xi1 s LYS 479 CO 0.00 -0.55 1.66 -0.11 -0.36 0.00 0.00 175.35 175.99 1xi1 n LEU 480 N 2.67 3.47 0.00 5.43 7.94 -1.26 -1.95 117.00 133.29 1xi1 n LEU 480 Ca 0.09 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1xi1 n LEU 480 Cb 0.39 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1xi1 n LEU 480 CO 0.62 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.42 1xi1 n GLY 481 N 3.70 2.66 3.89 -3.96 0.00 0.12 -4.96 105.19 106.65 1xi1 n GLY 481 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1xi1 n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xi1 s TYR 482 N -2.46 3.56 -0.21 1.61 2.02 -0.83 -4.70 117.35 116.34 1xi1 s TYR 482 Ca 0.00 0.94 -0.24 0.00 -0.37 0.00 0.00 57.07 57.40 1xi1 s TYR 482 Cb 0.00 -2.40 -0.01 0.00 -0.40 0.00 0.00 41.96 39.15 1xi1 s TYR 482 CO 0.00 -0.32 0.81 -1.58 -1.57 0.00 0.00 175.55 172.89 1xi1 s TRP 483 N -2.76 3.36 -0.20 2.71 0.52 0.19 -0.92 118.94 121.84 1xi1 s TRP 483 Ca 0.49 1.16 -0.11 0.00 0.02 0.00 0.00 56.10 57.66 1xi1 s TRP 483 Cb -0.10 -3.01 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1xi1 s TRP 483 CO 0.44 -0.32 0.18 0.00 0.02 0.00 0.00 176.95 177.28 1xi1 s ALA 484 N 2.49 3.65 -0.32 0.98 0.00 0.10 0.40 121.76 129.06 1xi1 s ALA 484 Ca 0.36 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 1xi1 s ALA 484 Cb -0.16 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1xi1 s ALA 484 CO 0.09 0.06 1.56 -1.58 0.00 0.00 0.00 175.76 175.90 1xi1 s HIS 485 N 0.55 2.19 -0.22 0.00 2.46 -1.26 -1.03 115.29 117.97 1xi1 s HIS 485 Ca 0.10 0.65 0.22 0.00 0.47 0.00 0.00 55.06 56.50 1xi1 s HIS 485 Cb -0.12 -4.12 -0.18 0.00 -0.13 0.00 0.00 32.58 28.02 1xi1 s HIS 485 CO 0.01 -2.47 0.74 0.39 -2.47 0.00 0.00 174.74 170.93 1xi1 n GLU 486 N 7.97 0.56 0.00 2.88 1.02 0.66 -4.96 120.64 128.76 1xi1 n GLU 486 Ca 0.19 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1xi1 n GLU 486 Cb 0.47 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1xi1 n GLU 486 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xi1 n SER 487 N -2.30 0.00 -4.04 1.62 3.41 -1.20 -4.91 113.62 106.20 1xi1 n SER 487 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.40 1xi1 n SER 487 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 1xi1 n SER 487 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xi1 s THR 488 N -2.00 0.79 0.09 6.66 2.01 -1.26 -1.64 115.64 120.28 1xi1 s THR 488 Ca 0.00 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.61 1xi1 s THR 488 Cb 0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1xi1 s THR 488 CO 0.00 0.18 -0.24 0.72 -0.69 0.00 0.00 174.62 174.59 1xi1 s PHE 489 N -0.32 2.08 0.18 4.92 -0.12 0.48 -2.54 117.98 122.65 1xi1 s PHE 489 Ca 0.03 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 1xi1 s PHE 489 Cb -0.04 -1.18 0.02 0.00 -0.63 0.00 0.00 43.02 41.19 1xi1 s PHE 489 CO -0.00 0.21 1.40 -0.22 -0.05 0.00 0.00 175.22 176.56 1xi1 h LYS 490 N 4.33 0.10 -2.61 1.99 3.64 -1.28 -0.61 116.57 122.13 1xi1 h LYS 490 Ca -0.47 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1xi1 h LYS 490 Cb 1.16 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 1xi1 h LYS 490 CO 0.41 0.89 0.36 -0.98 -2.27 0.00 0.00 179.45 177.86 1xi1 s ARG 491 N -3.17 1.04 0.21 1.90 1.70 -1.26 0.11 118.95 119.48 1xi1 s ARG 491 Ca -0.02 -0.39 -0.23 0.00 -0.47 0.00 0.00 55.73 54.62 1xi1 s ARG 491 Cb 0.11 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 35.00 1xi1 s ARG 491 CO 0.81 -0.46 0.85 0.00 -1.08 0.00 0.00 175.30 175.42 1xi1 s ALA 492 N -3.41 -1.44 -0.15 7.88 0.00 -0.53 -1.94 121.76 122.16 1xi1 s ALA 492 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1xi1 s ALA 492 Cb -0.01 0.74 0.06 0.00 0.00 0.00 0.00 23.12 23.91 1xi1 s ALA 492 CO -0.10 -1.04 0.34 0.21 0.00 0.00 0.00 175.76 175.17 1xi1 s LYS 493 N -3.59 0.29 -0.27 0.00 2.20 -0.22 -0.76 119.74 117.38 1xi1 s LYS 493 Ca 0.12 0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1xi1 s LYS 493 Cb -0.04 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.33 1xi1 s LYS 493 CO 0.05 -0.20 -0.02 0.71 -0.36 0.00 0.00 175.35 175.53 1xi1 s TYR 494 N 1.81 3.11 -0.13 4.03 1.51 -1.26 -0.93 117.35 125.49 1xi1 s TYR 494 Ca -0.06 -1.45 -0.08 0.00 -1.01 0.00 0.00 57.07 54.47 1xi1 s TYR 494 Cb -0.10 -2.12 -0.26 0.00 -0.11 0.00 0.00 41.96 39.37 1xi1 s TYR 494 CO -0.11 -0.70 0.36 1.28 -1.11 0.00 0.00 175.55 175.28 1xi1 n LEU 495 N 4.71 2.56 0.00 -1.29 4.77 -0.07 0.60 117.00 128.28 1xi1 n LEU 495 Ca -0.16 0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 1xi1 n LEU 495 Cb 0.47 -1.11 0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1xi1 n LEU 495 CO 0.28 0.80 0.66 0.54 -1.33 0.00 0.00 177.39 178.33 1xi1 n ARG 496 N -3.59 0.87 -1.66 3.23 1.74 -1.15 -4.36 116.66 111.74 1xi1 n ARG 496 Ca -0.32 -1.80 -0.47 0.00 -0.77 0.00 0.00 57.85 54.50 1xi1 n ARG 496 Cb 1.01 2.33 -0.04 0.00 -1.02 0.00 0.00 32.46 34.73 1xi1 n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xi1 n GLN 497 N -0.61 2.00 -1.77 5.56 6.02 -1.26 -0.71 117.38 126.60 1xi1 n GLN 497 Ca -0.05 0.72 -0.20 0.00 -0.01 0.00 0.00 57.00 57.45 1xi1 n GLN 497 Cb 0.57 -2.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.29 1xi1 n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xi1 n LYS 498 N 3.24 -1.51 -3.56 -1.09 5.02 -1.26 -4.87 118.16 114.14 1xi1 n LYS 498 Ca 0.17 1.16 -0.28 0.00 -2.02 0.00 0.00 58.31 57.35 1xi1 n LYS 498 Cb 0.27 -5.60 -0.11 0.00 -0.02 0.00 0.00 35.03 29.57 1xi1 n LYS 498 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xi1 s THR 499 N -2.80 1.12 0.18 -0.18 2.01 0.11 -3.50 115.64 112.59 1xi1 s THR 499 Ca 0.00 -3.05 -0.05 0.00 0.31 0.00 0.00 61.69 58.91 1xi1 s THR 499 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1xi1 s THR 499 CO 0.00 -1.13 0.20 -0.72 -0.69 0.00 0.00 174.62 172.28 1xi1 s TYR 500 N -0.29 0.80 0.01 4.92 -0.85 -0.56 -0.89 117.35 120.48 1xi1 s TYR 500 Ca 0.29 -1.11 0.02 0.00 -0.52 0.00 0.00 57.07 55.75 1xi1 s TYR 500 Cb -0.02 -0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.00 1xi1 s TYR 500 CO -0.16 -0.69 -0.08 0.96 -1.52 0.00 0.00 175.55 174.06 1xi1 s ILE 501 N -4.07 0.59 0.03 -3.49 -4.36 -0.11 -1.43 121.20 108.36 1xi1 s ILE 501 Ca 0.28 -0.49 -0.01 0.00 -0.26 0.00 0.00 60.65 60.17 1xi1 s ILE 501 Cb 0.05 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.21 1xi1 s ILE 501 CO 0.07 0.05 -0.01 -1.10 0.24 0.00 0.00 174.94 174.18 1xi1 s GLN 502 N -0.50 0.42 -0.46 0.37 -0.21 -0.83 -1.06 119.66 117.40 1xi1 s GLN 502 Ca 0.00 -0.78 -0.08 0.00 0.02 0.00 0.00 55.36 54.53 1xi1 s GLN 502 Cb -0.04 0.15 0.12 0.00 1.00 0.00 0.00 33.01 34.24 1xi1 s GLN 502 CO -0.00 -0.08 0.31 -0.51 -2.12 0.00 0.00 175.29 172.90 1xi1 s ASP 503 N -1.90 5.59 -0.14 5.90 1.01 -0.82 -1.35 116.67 124.96 1xi1 s ASP 503 Ca -0.09 -1.96 -0.21 0.00 0.71 0.00 0.00 52.55 51.00 1xi1 s ASP 503 Cb -0.04 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 1xi1 s ASP 503 CO -0.04 -0.65 0.62 -0.63 0.21 0.00 0.00 175.17 174.68 1xi1 s ILE 504 N 1.28 5.06 -0.09 0.77 -1.09 0.13 -0.82 121.20 126.45 1xi1 s ILE 504 Ca 0.07 1.22 -0.29 0.00 -2.23 0.00 0.00 60.65 59.41 1xi1 s ILE 504 Cb -0.25 -3.95 -0.06 0.00 -1.58 0.00 0.00 42.46 36.62 1xi1 s ILE 504 CO -0.02 0.20 1.83 -0.31 -1.23 0.00 0.00 174.94 175.41 1xi1 s TYR 505 N 1.30 1.66 -0.43 3.97 1.51 -1.05 -1.27 117.35 123.03 1xi1 s TYR 505 Ca 0.31 0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.46 1xi1 s TYR 505 Cb -0.16 -4.04 0.11 0.00 -0.11 0.00 0.00 41.96 37.76 1xi1 s TYR 505 CO 0.13 -4.20 0.23 1.41 -1.11 0.00 0.00 175.55 172.01 1xi1 s MET 506 N 4.69 2.09 0.13 -0.62 1.75 0.52 0.59 119.30 128.44 1xi1 s MET 506 Ca 0.82 -1.85 -0.23 0.00 -1.25 0.00 0.00 55.69 53.17 1xi1 s MET 506 Cb -0.34 -3.63 -0.13 0.00 2.84 0.00 0.00 34.83 33.56 1xi1 s MET 506 CO 0.34 -1.09 0.47 1.17 -0.65 0.00 0.00 175.02 175.26 1xi1 n LYS 507 N 4.57 0.00 -1.27 4.11 4.81 0.31 -1.89 118.16 128.81 1xi1 n LYS 507 Ca -0.02 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.03 1xi1 n LYS 507 Cb 0.41 -0.83 0.02 0.00 0.02 0.00 0.00 35.03 34.65 1xi1 n LYS 507 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xi1 n GLU 508 N 0.83 0.10 -3.61 1.64 1.02 -1.26 -3.87 120.64 115.49 1xi1 n GLU 508 Ca 0.14 0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.94 1xi1 n GLU 508 Cb 0.17 -1.16 -0.11 0.00 -0.02 0.00 0.00 31.44 30.32 1xi1 n GLU 508 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xi1 s VAL 509 N -1.95 5.00 -0.36 2.62 0.11 -1.26 -4.65 120.40 119.91 1xi1 s VAL 509 Ca 0.58 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1xi1 s VAL 509 Cb -0.46 -3.47 0.54 0.00 -1.53 0.00 0.00 36.38 31.47 1xi1 s VAL 509 CO 0.65 0.15 1.72 0.47 -3.33 0.00 0.00 175.10 174.75 1xi1 n ASP 510 N 5.04 3.68 0.00 3.54 8.00 -1.26 -4.49 116.55 131.06 1xi1 n ASP 510 Ca -0.14 -3.24 0.00 0.00 0.71 0.00 0.00 54.79 52.12 1xi1 n ASP 510 Cb 0.51 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1xi1 n ASP 510 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xi1 n GLY 511 N -0.72 1.26 3.43 0.44 0.00 -1.26 -5.10 105.19 103.24 1xi1 n GLY 511 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 1xi1 n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi1 s LYS 512 N 0.00 0.48 0.15 1.61 1.02 -1.26 -5.16 119.74 116.58 1xi1 s LYS 512 Ca 0.00 1.10 -0.34 0.00 0.02 0.00 0.00 55.97 56.75 1xi1 s LYS 512 Cb 0.00 0.31 -0.14 0.00 -0.52 0.00 0.00 37.83 37.48 1xi1 s LYS 512 CO 0.00 -0.19 1.52 1.28 -0.92 0.00 0.00 175.35 177.03 1xi1 n LEU 513 N 4.88 2.83 -4.20 3.17 4.77 -1.26 -4.64 117.00 122.55 1xi1 n LEU 513 Ca -0.16 1.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1xi1 n LEU 513 Cb 0.53 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.14 1xi1 n LEU 513 CO 0.01 -0.45 -0.20 0.68 -1.33 0.00 0.00 177.39 176.10 1xi1 s VAL 514 N 0.74 0.00 0.18 4.08 -7.23 -1.25 -5.01 120.40 111.91 1xi1 s VAL 514 Ca 0.79 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 1xi1 s VAL 514 Cb -0.73 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 33.64 1xi1 s VAL 514 CO 0.40 0.00 1.35 -1.61 -0.31 0.00 0.00 175.10 174.94 1xi1 s GLU 515 N -4.08 4.35 0.43 4.82 8.01 -1.26 0.11 118.70 131.08 1xi1 s GLU 515 Ca 0.38 2.10 0.00 0.00 0.01 0.00 0.00 54.97 57.47 1xi1 s GLU 515 Cb 0.06 -3.19 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 1xi1 s GLU 515 CO 0.13 -0.33 0.04 0.41 0.01 0.00 0.00 175.26 175.52 1xi1 n GLY 516 N 2.66 3.57 3.69 -1.39 0.00 0.20 -4.24 105.19 109.68 1xi1 n GLY 516 Ca 0.08 -2.34 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 1xi1 n GLY 516 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xi1 s SER 517 N -3.39 4.77 0.38 1.61 1.04 -1.04 -4.39 113.70 112.68 1xi1 s SER 517 Ca 0.03 -0.56 0.16 0.00 0.48 0.00 0.00 55.95 56.05 1xi1 s SER 517 Cb -0.00 -0.96 0.85 0.00 0.10 0.00 0.00 66.02 66.00 1xi1 s SER 517 CO 0.02 -0.02 1.39 -0.65 0.98 0.00 0.00 173.24 174.96 1xi1 h PRO 518 N 1.78 0.00 0.00 4.02 0.11 -1.95 -2.57 132.00 133.39 1xi1 h PRO 518 Ca -0.45 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 1xi1 h PRO 518 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1xi1 h PRO 518 CO 0.61 0.00 -1.62 -0.25 -0.21 0.00 0.00 178.00 176.53 1xi1 n ASP 519 N -2.19 1.92 -4.29 -2.05 8.00 -1.26 -4.81 116.55 111.87 1xi1 n ASP 519 Ca -0.01 0.38 -0.45 0.00 0.71 0.00 0.00 54.79 55.42 1xi1 n ASP 519 Cb 0.34 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 1xi1 n ASP 519 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xi1 s ASP 520 N -6.67 6.56 0.22 -2.24 1.01 -0.97 -5.01 116.67 109.57 1xi1 s ASP 520 Ca -0.31 -2.82 -0.10 0.00 0.71 0.00 0.00 52.55 50.02 1xi1 s ASP 520 Cb 0.09 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1xi1 s ASP 520 CO 0.45 -0.51 0.39 -0.72 0.21 0.00 0.00 175.17 174.99 1xi1 s TYR 521 N -0.03 0.46 0.00 4.23 -0.85 -1.23 -2.50 117.35 117.43 1xi1 s TYR 521 Ca 0.19 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1xi1 s TYR 521 Cb -0.12 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.26 1xi1 s TYR 521 CO -0.08 -0.88 0.00 2.41 -1.52 0.00 0.00 175.55 175.48 1xi1 n THR 522 N -0.33 0.00 -4.33 -3.49 -1.04 -1.07 -4.49 114.28 99.53 1xi1 n THR 522 Ca -0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.74 1xi1 n THR 522 Cb 0.63 -0.42 -0.08 0.00 -1.82 0.00 0.00 70.33 68.63 1xi1 n THR 522 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xi1 s ASP 523 N -3.85 4.21 -0.51 8.00 1.01 -0.79 -4.95 116.67 119.78 1xi1 s ASP 523 Ca 0.00 -0.95 0.03 0.00 0.71 0.00 0.00 52.55 52.34 1xi1 s ASP 523 Cb 0.00 -0.56 0.14 0.00 1.01 0.00 0.00 42.92 43.52 1xi1 s ASP 523 CO 0.00 -0.20 0.31 -0.63 0.21 0.00 0.00 175.17 174.86 1xi1 s ILE 524 N -2.49 1.93 0.09 0.77 -1.09 -1.26 -0.36 121.20 118.79 1xi1 s ILE 524 Ca 0.34 -3.13 -0.30 0.00 -2.23 0.00 0.00 60.65 55.33 1xi1 s ILE 524 Cb -0.01 -2.33 -0.06 0.00 -1.58 0.00 0.00 42.46 38.49 1xi1 s ILE 524 CO 0.19 -0.92 1.14 -0.75 -1.23 0.00 0.00 174.94 173.37 1xi1 s LYS 525 N -0.23 4.50 -0.21 2.79 2.20 -0.40 -4.76 119.74 123.63 1xi1 s LYS 525 Ca 0.20 1.71 -0.16 0.00 -0.36 0.00 0.00 55.97 57.36 1xi1 s LYS 525 Cb -0.18 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1xi1 s LYS 525 CO -0.05 -0.13 0.41 0.12 -0.36 0.00 0.00 175.35 175.34 1xi1 s PHE 526 N 0.66 3.35 0.01 4.03 5.36 -1.26 0.23 117.98 130.36 1xi1 s PHE 526 Ca 0.55 0.61 0.04 0.00 -0.96 0.00 0.00 56.93 57.17 1xi1 s PHE 526 Cb -0.28 -2.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 1xi1 s PHE 526 CO 0.31 -0.06 -0.14 -1.54 -1.46 0.00 0.00 175.22 172.33 1xi1 s SER 527 N 1.14 1.61 -0.00 6.13 1.04 -0.46 -5.01 113.70 118.15 1xi1 s SER 527 Ca 0.19 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.36 1xi1 s SER 527 Cb -0.15 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1xi1 s SER 527 CO 0.08 0.10 -0.24 -0.69 0.98 0.00 0.00 173.24 173.48 1xi1 s VAL 528 N -0.56 1.86 -0.14 5.02 1.01 -1.26 -1.96 120.40 124.37 1xi1 s VAL 528 Ca 0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1xi1 s VAL 528 Cb -0.06 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1xi1 s VAL 528 CO 0.00 0.47 -0.10 -0.54 0.00 0.00 0.00 175.10 174.94 1xi1 s LYS 529 N -0.69 1.87 -0.09 2.72 -0.14 -0.52 -5.04 119.74 117.86 1xi1 s LYS 529 Ca 0.09 -0.47 -0.15 0.00 -1.36 0.00 0.00 55.97 54.08 1xi1 s LYS 529 Cb -0.09 -1.94 0.03 0.00 -1.68 0.00 0.00 37.83 34.15 1xi1 s LYS 529 CO -0.00 -0.30 0.36 0.00 -0.76 0.00 0.00 175.35 174.65 1xi1 n ALA 531 N 2.15 0.00 -2.07 0.00 0.00 -1.23 -3.12 120.51 116.24 1xi1 n ALA 531 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 1xi1 n ALA 531 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 1xi1 n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xi1 n GLY 532 N 0.00 5.64 3.70 0.00 0.00 -1.26 -4.97 105.19 108.30 1xi1 n GLY 532 Ca 0.00 -2.54 -0.36 0.00 0.00 0.00 0.00 46.02 43.12 1xi1 n GLY 532 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xi1 s MET 533 N -3.99 4.16 0.65 1.61 0.00 -1.18 -5.04 119.30 115.51 1xi1 s MET 533 Ca 0.51 -0.14 -0.09 0.00 0.00 0.00 0.00 55.69 55.97 1xi1 s MET 533 Cb 0.42 -3.48 0.01 0.00 0.00 0.00 0.00 34.83 31.78 1xi1 s MET 533 CO -0.36 0.16 1.01 -0.08 0.00 0.00 0.00 175.02 175.75 1xi1 s THR 534 N 0.75 3.58 0.39 10.11 -1.32 -1.26 -4.86 115.64 123.04 1xi1 s THR 534 Ca 0.11 0.27 0.36 0.00 -1.21 0.00 0.00 61.69 61.22 1xi1 s THR 534 Cb -0.13 -3.47 0.38 0.00 -1.51 0.00 0.00 72.50 67.77 1xi1 s THR 534 CO 0.03 -0.56 2.15 0.44 -2.21 0.00 0.00 174.62 174.46 1xi1 h ASP 535 N -0.44 0.00 -0.00 8.08 3.32 -1.98 0.90 116.42 126.29 1xi1 h ASP 535 Ca -0.45 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.35 1xi1 h ASP 535 Cb 1.25 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.82 1xi1 h ASP 535 CO 0.62 0.04 -0.97 0.50 -1.72 0.00 0.00 179.24 177.71 1xi1 h LYS 536 N 0.00 0.66 0.09 3.56 3.64 -1.95 -3.07 116.57 119.50 1xi1 h LYS 536 Ca -0.00 -0.71 -0.29 0.00 -1.27 0.00 0.00 60.65 58.38 1xi1 h LYS 536 Cb 0.28 0.20 0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1xi1 h LYS 536 CO 0.00 1.30 -1.20 0.82 -2.27 0.00 0.00 179.45 178.10 1xi1 h ILE 537 N 0.32 1.29 -0.87 2.00 2.04 -1.73 -3.22 117.51 117.34 1xi1 h ILE 537 Ca -0.12 -2.44 0.15 0.00 1.00 0.00 0.00 64.86 63.45 1xi1 h ILE 537 Cb 1.64 2.63 -0.07 0.00 -0.74 0.00 0.00 36.82 40.28 1xi1 h ILE 537 CO 0.19 0.74 0.57 0.11 0.00 0.00 0.00 178.15 179.76 1xi1 h LYS 538 N 0.29 0.60 -2.05 2.37 1.57 -0.94 -1.60 116.57 116.82 1xi1 h LYS 538 Ca -0.17 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1xi1 h LYS 538 Cb 1.87 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1xi1 h LYS 538 CO 0.23 0.40 -0.02 1.63 -0.57 0.00 0.00 179.45 181.12 1xi1 n LYS 539 N -4.55 0.79 0.00 3.15 5.02 -1.16 -1.15 118.16 120.27 1xi1 n LYS 539 Ca 0.17 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1xi1 n LYS 539 Cb 0.50 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1xi1 n LYS 539 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xi1 n GLU 540 N 1.83 0.00 -2.95 1.97 1.02 -0.60 -5.05 120.64 116.85 1xi1 n GLU 540 Ca 0.05 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 1xi1 n GLU 540 Cb 0.39 -0.07 -0.04 0.00 -0.02 0.00 0.00 31.44 31.70 1xi1 n GLU 540 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xi1 s VAL 541 N 0.00 4.89 0.06 2.62 1.01 -0.30 -4.96 120.40 123.72 1xi1 s VAL 541 Ca 0.00 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1xi1 s VAL 541 Cb 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1xi1 s VAL 541 CO 0.00 0.28 -0.09 0.42 0.00 0.00 0.00 175.10 175.71 1xi1 s THR 542 N 0.51 0.70 0.60 3.92 -4.23 -1.26 -4.97 115.64 110.91 1xi1 s THR 542 Ca 0.41 -1.35 0.28 0.00 -1.18 0.00 0.00 61.69 59.85 1xi1 s THR 542 Cb -0.19 -0.98 0.37 0.00 1.34 0.00 0.00 72.50 73.04 1xi1 s THR 542 CO 0.22 -0.48 1.80 -0.26 -0.54 0.00 0.00 174.62 175.36 1xi1 h PHE 543 N 4.04 0.00 -0.27 3.99 -1.00 -1.97 0.42 116.94 122.16 1xi1 h PHE 543 Ca -0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.41 1xi1 h PHE 543 Cb 1.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1xi1 h PHE 543 CO 0.63 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.72 1xi1 n GLU 544 N -3.56 2.83 -0.13 1.51 1.02 -1.26 -4.39 120.64 116.67 1xi1 n GLU 544 Ca 0.10 -1.91 -0.19 0.00 -0.02 0.00 0.00 57.16 55.14 1xi1 n GLU 544 Cb 0.78 -1.21 -0.12 0.00 -0.02 0.00 0.00 31.44 30.87 1xi1 n GLU 544 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xi1 n ASN 545 N 0.30 2.01 -4.55 1.62 2.85 0.70 -4.88 115.26 113.30 1xi1 n ASN 545 Ca 0.09 -0.11 -0.37 0.00 -0.11 0.00 0.00 54.58 54.08 1xi1 n ASN 545 Cb 0.38 -0.43 -0.03 0.00 1.24 0.00 0.00 39.78 40.94 1xi1 n ASN 545 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1xi1 s PHE 546 N -2.51 1.41 -0.02 1.20 5.36 0.11 -4.75 117.98 118.78 1xi1 s PHE 546 Ca -0.35 1.13 -0.29 0.00 -0.96 0.00 0.00 56.93 56.46 1xi1 s PHE 546 Cb 0.09 -3.87 0.10 0.00 -0.34 0.00 0.00 43.02 39.01 1xi1 s PHE 546 CO 0.58 -2.38 0.89 -1.59 -1.46 0.00 0.00 175.22 171.26 1xi1 s LYS 547 N 7.58 0.81 0.23 10.12 -2.85 -1.26 -4.98 119.74 129.40 1xi1 s LYS 547 Ca 0.80 -0.26 -0.31 0.00 -1.00 0.00 0.00 55.97 55.20 1xi1 s LYS 547 Cb -0.14 0.37 -0.14 0.00 -2.06 0.00 0.00 37.83 35.86 1xi1 s LYS 547 CO 0.22 -0.35 1.29 0.28 0.10 0.00 0.00 175.35 176.90 1xi1 n VAL 548 N -0.15 1.13 0.00 1.79 0.31 -1.26 -1.49 118.33 118.66 1xi1 n VAL 548 Ca -0.09 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1xi1 n VAL 548 Cb 0.61 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1xi1 n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xi1 n GLY 549 N 1.91 2.29 3.61 2.92 0.00 0.43 -5.00 105.19 111.34 1xi1 n GLY 549 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 1xi1 n GLY 549 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xi1 n PHE 550 N -0.44 1.61 -3.84 1.61 7.35 -0.55 -4.63 117.46 118.57 1xi1 n PHE 550 Ca 0.00 0.58 -0.10 0.00 -0.76 0.00 0.00 57.45 57.18 1xi1 n PHE 550 Cb 0.00 -2.35 -0.06 0.00 0.35 0.00 0.00 39.48 37.42 1xi1 n PHE 550 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1xi1 s SER 551 N 0.34 -0.09 -0.29 -2.13 1.04 -1.26 -0.04 113.70 111.28 1xi1 s SER 551 Ca 0.78 -0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.33 1xi1 s SER 551 Cb -0.85 0.48 0.17 0.00 0.10 0.00 0.00 66.02 65.92 1xi1 s SER 551 CO 0.48 -0.93 1.24 -0.60 0.98 0.00 0.00 173.24 174.41 1xi1 s ARG 552 N -3.91 0.23 -1.29 4.02 3.52 -0.37 -4.97 118.95 116.19 1xi1 s ARG 552 Ca 0.12 0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 1xi1 s ARG 552 Cb 0.02 0.10 0.16 0.00 -1.56 0.00 0.00 34.95 33.67 1xi1 s ARG 552 CO -0.03 -0.03 1.94 1.63 -0.81 0.00 0.00 175.30 177.99 1xi1 n LYS 553 N 2.20 3.69 0.00 5.12 5.02 -1.26 -1.17 118.16 131.75 1xi1 n LYS 553 Ca -0.13 -3.48 0.00 0.00 -2.02 0.00 0.00 58.31 52.68 1xi1 n LYS 553 Cb 0.57 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1xi1 n LYS 553 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xi1 n MET 554 N 3.72 0.45 -3.07 1.97 2.81 -1.26 -4.74 117.12 117.01 1xi1 n MET 554 Ca 0.42 -0.56 -0.44 0.00 -1.81 0.00 0.00 57.70 55.32 1xi1 n MET 554 Cb 0.35 -0.62 -0.05 0.00 -0.71 0.00 0.00 33.22 32.18 1xi1 n MET 554 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1xi1 s LYS 555 N -0.17 3.15 0.47 0.03 2.20 -1.16 -4.88 119.74 119.37 1xi1 s LYS 555 Ca 0.00 -0.84 -0.23 0.00 -0.36 0.00 0.00 55.97 54.53 1xi1 s LYS 555 Cb 0.00 -4.13 -0.07 0.00 -1.51 0.00 0.00 37.83 32.12 1xi1 s LYS 555 CO 0.00 -1.37 1.25 -2.14 -0.36 0.00 0.00 175.35 172.73 1xi1 s PRO 556 N 2.99 3.63 -0.09 4.03 0.02 -1.25 0.43 135.00 144.76 1xi1 s PRO 556 Ca 0.18 2.00 -0.06 0.00 0.02 0.00 0.00 61.00 63.14 1xi1 s PRO 556 Cb -0.19 -2.45 0.03 0.00 0.02 0.00 0.00 34.50 31.92 1xi1 s PRO 556 CO 0.12 -0.72 0.23 0.15 -0.33 0.00 0.00 177.00 176.45 1xi1 s LYS 557 N -2.65 0.23 0.67 5.54 1.02 0.28 -4.84 119.74 119.99 1xi1 s LYS 557 Ca 0.64 0.41 -0.17 0.00 0.02 0.00 0.00 55.97 56.87 1xi1 s LYS 557 Cb -0.34 -0.00 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1xi1 s LYS 557 CO 0.42 -0.10 1.27 -2.14 -0.92 0.00 0.00 175.35 173.88 1xi1 s PRO 558 N 0.69 2.42 -0.15 -1.68 0.02 -1.26 -1.39 135.00 133.65 1xi1 s PRO 558 Ca -0.05 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 62.88 1xi1 s PRO 558 Cb -0.06 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.68 1xi1 s PRO 558 CO -0.04 -1.67 0.34 0.08 -0.33 0.00 0.00 177.00 175.37 1xi1 s VAL 559 N -1.57 -0.31 -0.09 3.83 1.01 -0.27 -4.87 120.40 118.14 1xi1 s VAL 559 Ca 0.80 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1xi1 s VAL 559 Cb -0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1xi1 s VAL 559 CO 0.41 0.07 1.30 -1.10 0.00 0.00 0.00 175.10 175.78 1xi1 s GLN 560 N 1.99 4.28 0.18 2.72 -1.52 -1.26 -2.13 119.66 123.91 1xi1 s GLN 560 Ca -0.04 1.76 0.01 0.00 -1.95 0.00 0.00 55.36 55.15 1xi1 s GLN 560 Cb -0.11 -3.67 -0.05 0.00 -0.22 0.00 0.00 33.01 28.97 1xi1 s GLN 560 CO -0.11 -0.60 0.02 0.14 -0.25 0.00 0.00 175.29 174.49 1xi1 s VAL 561 N 2.87 0.61 0.32 1.09 -7.23 0.56 -4.86 120.40 113.76 1xi1 s VAL 561 Ca 0.58 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 1xi1 s VAL 561 Cb -0.25 -2.16 -0.13 0.00 0.56 0.00 0.00 36.38 34.39 1xi1 s VAL 561 CO 0.21 -0.43 1.07 -2.65 -0.31 0.00 0.00 175.10 172.99 1xi1 n PRO 562 N -0.25 1.53 0.00 4.82 -0.02 -1.26 -1.34 135.00 138.48 1xi1 n PRO 562 Ca -0.06 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1xi1 n PRO 562 Cb 0.63 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1xi1 n PRO 562 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xi1 n GLY 563 N 1.11 2.63 0.00 -1.23 0.00 -1.25 -4.50 105.19 101.94 1xi1 n GLY 563 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1xi1 n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi1 n GLY 564 N 0.00 -0.55 3.60 -0.02 0.00 -0.45 -4.37 105.19 103.40 1xi1 n GLY 564 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1xi1 n GLY 564 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xi1 s VAL 565 N -0.02 3.65 0.05 1.61 1.01 -1.26 -0.32 120.40 125.12 1xi1 s VAL 565 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1xi1 s VAL 565 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1xi1 s VAL 565 CO 0.00 0.32 -0.08 -0.69 0.00 0.00 0.00 175.10 174.65 1xi1 s VAL 566 N -1.06 0.60 -0.21 2.92 1.01 -0.91 -4.94 120.40 117.81 1xi1 s VAL 566 Ca 0.19 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1xi1 s VAL 566 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1xi1 s VAL 566 CO 0.10 -0.38 0.20 -0.76 0.00 0.00 0.00 175.10 174.25 1xi1 s LEU 567 N -1.64 4.18 0.22 3.92 1.43 -1.26 -1.11 118.68 124.41 1xi1 s LEU 567 Ca -0.09 0.27 0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1xi1 s LEU 567 Cb -0.10 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1xi1 s LEU 567 CO 0.00 0.10 -0.21 -0.69 0.23 0.00 0.00 176.35 175.78 1xi1 s VAL 568 N 0.72 2.27 -0.09 -1.59 1.01 -0.49 -4.83 120.40 117.39 1xi1 s VAL 568 Ca 0.10 -2.16 -0.25 0.00 0.00 0.00 0.00 61.98 59.67 1xi1 s VAL 568 Cb -0.13 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1xi1 s VAL 568 CO 0.02 -0.28 0.78 -1.81 0.00 0.00 0.00 175.10 173.81 1xi1 s ASP 569 N -3.02 7.03 -0.00 3.32 1.01 -1.26 0.10 116.67 123.85 1xi1 s ASP 569 Ca 0.23 1.25 0.06 0.00 0.71 0.00 0.00 52.55 54.80 1xi1 s ASP 569 Cb -0.06 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 1xi1 s ASP 569 CO 0.11 -0.22 -0.18 -0.62 0.21 0.00 0.00 175.17 174.46 1xi1 s ASP 570 N 0.95 2.11 -0.06 0.27 -1.08 0.17 -4.91 116.67 114.12 1xi1 s ASP 570 Ca 0.40 -0.35 -0.31 0.00 -0.52 0.00 0.00 52.55 51.77 1xi1 s ASP 570 Cb -0.18 -0.22 -0.09 0.00 -1.46 0.00 0.00 42.92 40.97 1xi1 s ASP 570 CO 0.18 0.20 2.02 0.41 0.52 0.00 0.00 175.17 178.50 1xi1 n THR 571 N 2.52 0.62 -3.62 1.71 -1.04 -1.26 -3.00 114.28 110.20 1xi1 n THR 571 Ca -0.15 -0.21 -0.36 0.00 -2.04 0.00 0.00 64.05 61.29 1xi1 n THR 571 Cb 0.54 -2.25 -0.07 0.00 -1.82 0.00 0.00 70.33 66.72 1xi1 n THR 571 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1xi1 s PHE 572 N 5.36 3.45 -0.02 -1.42 5.36 -0.32 -4.90 117.98 125.50 1xi1 s PHE 572 Ca 0.93 0.50 0.01 0.00 -0.96 0.00 0.00 56.93 57.41 1xi1 s PHE 572 Cb -0.49 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 39.94 1xi1 s PHE 572 CO 0.43 0.28 -0.03 0.99 -1.46 0.00 0.00 175.22 175.42 1xi1 s THR 573 N 0.37 0.32 -0.53 0.12 2.01 -1.26 -1.24 115.64 115.43 1xi1 s THR 573 Ca 0.13 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 1xi1 s THR 573 Cb -0.12 -0.32 0.04 0.00 0.01 0.00 0.00 72.50 72.10 1xi1 s THR 573 CO 0.02 0.13 0.98 -0.63 -0.69 0.00 0.00 174.62 174.43 1xi1 s ILE 574 N 0.35 4.34 -1.62 1.82 1.01 0.94 -4.96 121.20 123.08 1xi1 s ILE 574 Ca -0.04 0.52 0.13 0.00 0.00 0.00 0.00 60.65 61.26 1xi1 s ILE 574 Cb -0.07 -4.55 0.10 0.00 0.01 0.00 0.00 42.46 37.96 1xi1 s ILE 574 CO -0.01 -1.08 0.91 2.29 0.00 0.00 0.00 174.94 177.06