#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxl s ILE 2 N 0.00 2.61 -0.08 1.12 1.01 -1.26 -4.27 121.20 120.32 1jxl s ILE 2 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1jxl s ILE 2 Cb 0.00 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1jxl s ILE 2 CO 0.00 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1jxl s VAL 3 N 1.08 3.31 -0.26 2.92 1.01 0.31 -1.66 120.40 127.12 1jxl s VAL 3 Ca -0.00 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1jxl s VAL 3 Cb -0.14 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.93 1jxl s VAL 3 CO -0.05 0.57 -0.09 -0.22 0.00 0.00 0.00 175.10 175.31 1jxl s LEU 4 N -0.39 3.33 -0.17 3.92 0.20 -0.09 -2.20 118.68 123.30 1jxl s LEU 4 Ca 0.05 -1.19 -0.08 0.00 0.69 0.00 0.00 54.13 53.60 1jxl s LEU 4 Cb -0.12 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1jxl s LEU 4 CO 0.02 -0.17 0.10 0.12 -0.29 0.00 0.00 176.35 176.13 1jxl s PHE 5 N 1.19 3.38 -0.13 5.38 5.36 0.29 0.08 117.98 133.53 1jxl s PHE 5 Ca -0.05 0.28 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1jxl s PHE 5 Cb -0.19 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1jxl s PHE 5 CO -0.05 0.37 -0.22 0.08 -1.46 0.00 0.00 175.22 173.94 1jxl s VAL 6 N -0.07 2.12 -0.20 3.12 1.01 -0.07 -1.12 120.40 125.19 1jxl s VAL 6 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1jxl s VAL 6 Cb -0.12 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1jxl s VAL 6 CO 0.00 0.55 -0.06 -0.62 0.00 0.00 0.00 175.10 174.97 1jxl s ASP 7 N 0.71 3.33 0.16 3.32 -1.08 -0.82 -1.33 116.67 120.95 1jxl s ASP 7 Ca -0.10 -0.91 -0.31 0.00 -0.52 0.00 0.00 52.55 50.72 1jxl s ASP 7 Cb -0.16 -1.07 -0.08 0.00 -1.46 0.00 0.00 42.92 40.15 1jxl s ASP 7 CO 0.01 -0.20 1.37 -0.36 0.52 0.00 0.00 175.17 176.50 1jxl s PHE 8 N 1.51 3.23 0.22 -5.34 0.08 -0.11 -1.42 117.98 116.15 1jxl s PHE 8 Ca -0.02 1.05 -0.30 0.00 0.12 0.00 0.00 56.93 57.78 1jxl s PHE 8 Cb -0.17 -3.67 -0.10 0.00 -0.57 0.00 0.00 43.02 38.51 1jxl s PHE 8 CO -0.07 -2.24 1.46 -0.51 -0.10 0.00 0.00 175.22 173.76 1jxl s ASP 9 N 0.75 6.65 -0.63 1.36 1.01 -0.87 -3.57 116.67 121.37 1jxl s ASP 9 Ca 0.61 2.64 -0.03 0.00 0.71 0.00 0.00 52.55 56.48 1jxl s ASP 9 Cb -0.37 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 40.97 1jxl s ASP 9 CO 0.34 -0.72 0.08 0.00 0.21 0.00 0.00 175.17 175.08 1jxl n TYR 10 N 2.76 -0.47 -0.15 4.23 0.18 -1.26 -4.55 117.16 117.90 1jxl n TYR 10 Ca 0.08 0.24 -0.04 0.00 1.88 0.00 0.00 57.90 60.07 1jxl n TYR 10 Cb 0.40 -0.94 -0.04 0.00 -0.38 0.00 0.00 39.34 38.39 1jxl n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1jxl n PHE 11 N -2.18 -0.16 -0.14 -3.48 7.35 -1.23 -0.75 117.46 116.86 1jxl n PHE 11 Ca -0.06 0.44 -0.08 0.00 -0.76 0.00 0.00 57.45 56.99 1jxl n PHE 11 Cb 0.23 -0.46 0.01 0.00 0.35 0.00 0.00 39.48 39.60 1jxl n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1jxl h TYR 12 N 0.00 0.55 -0.45 -5.13 0.05 -1.94 0.62 116.97 110.67 1jxl h TYR 12 Ca 0.06 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 1jxl h TYR 12 Cb 0.15 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1jxl h TYR 12 CO -0.47 0.36 -0.02 0.00 -1.05 0.00 0.00 178.16 176.98 1jxl h ALA 13 N 1.14 0.60 -0.54 3.88 0.00 -1.65 -2.79 119.26 119.91 1jxl h ALA 13 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jxl h ALA 13 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1jxl h ALA 13 CO -0.03 0.41 0.29 0.37 0.00 0.00 0.00 179.25 180.29 1jxl h GLN 14 N 0.64 0.76 -0.80 0.00 4.15 -0.66 -1.63 115.11 117.56 1jxl h GLN 14 Ca 0.12 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1jxl h GLN 14 Cb 0.52 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 1jxl h GLN 14 CO 0.03 0.59 0.53 0.28 -1.93 0.00 0.00 178.83 178.32 1jxl h VAL 15 N 0.72 1.20 -0.21 2.39 2.07 -0.77 0.09 116.25 121.73 1jxl h VAL 15 Ca 0.19 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1jxl h VAL 15 Cb 0.06 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1jxl h VAL 15 CO -0.03 0.20 -0.17 -0.33 0.02 0.00 0.00 177.57 177.26 1jxl h GLU 16 N 1.07 0.36 -0.01 1.57 4.39 -1.17 -0.41 114.58 120.39 1jxl h GLU 16 Ca 0.29 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1jxl h GLU 16 Cb -0.11 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1jxl h GLU 16 CO -0.07 0.53 0.00 0.93 -1.16 0.00 0.00 179.01 179.25 1jxl h GLU 17 N 0.34 0.01 -0.27 2.33 5.08 -0.22 -0.61 114.58 121.24 1jxl h GLU 17 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1jxl h GLU 17 Cb 0.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1jxl h GLU 17 CO 0.03 0.24 0.15 0.28 -1.00 0.00 0.00 179.01 178.72 1jxl h VAL 18 N -0.22 1.08 0.00 3.13 2.07 -0.62 -1.26 116.25 120.42 1jxl h VAL 18 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1jxl h VAL 18 Cb 0.24 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jxl h VAL 18 CO 0.00 0.09 -0.23 -0.07 0.02 0.00 0.00 177.57 177.38 1jxl h LEU 19 N 0.36 0.00 -6.27 2.57 4.07 -0.75 -3.39 115.31 111.90 1jxl h LEU 19 Ca 0.10 -0.02 -0.53 0.00 0.08 0.00 0.00 57.88 57.51 1jxl h LEU 19 Cb -0.00 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 41.38 1jxl h LEU 19 CO -0.02 0.01 -0.89 0.21 -1.08 0.00 0.00 178.44 176.67 1jxl s ASN 20 N -5.61 1.39 0.48 -0.43 2.47 -0.27 -5.02 114.94 107.95 1jxl s ASN 20 Ca 0.06 -2.67 0.30 0.00 0.42 0.00 0.00 52.86 50.97 1jxl s ASN 20 Cb 0.08 -0.13 1.61 0.00 -1.45 0.00 0.00 41.25 41.36 1jxl s ASN 20 CO 0.68 -0.19 1.90 -0.65 -3.72 0.00 0.00 177.10 175.12 1jxl h PRO 21 N 5.93 0.00 0.00 0.43 0.11 -1.48 -1.42 132.00 135.57 1jxl h PRO 21 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1jxl h PRO 21 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1jxl h PRO 21 CO 0.30 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.96 1jxl n SER 22 N -2.59 0.69 0.26 -2.05 3.41 -1.26 -1.89 113.62 110.19 1jxl n SER 22 Ca -0.02 0.69 0.16 0.00 -0.26 0.00 0.00 58.87 59.45 1jxl n SER 22 Cb 0.12 -0.83 0.59 0.00 -0.26 0.00 0.00 64.21 63.83 1jxl n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jxl h LEU 23 N 0.00 0.00 -9.39 1.04 3.38 -1.56 -3.46 115.31 105.32 1jxl h LEU 23 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1jxl h LEU 23 Cb 0.30 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.11 1jxl h LEU 23 CO 0.00 0.00 0.67 0.29 0.09 0.00 0.00 178.44 179.49 1jxl n LYS 24 N -3.07 1.71 0.00 1.13 5.02 -0.79 -1.45 118.16 120.71 1jxl n LYS 24 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1jxl n LYS 24 Cb 0.34 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1jxl n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxl n GLY 25 N 3.10 3.16 3.84 0.72 0.00 -1.26 -5.03 105.19 109.72 1jxl n GLY 25 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1jxl n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxl s LYS 26 N -0.43 4.03 -0.01 1.61 1.02 -0.53 -4.94 119.74 120.50 1jxl s LYS 26 Ca 0.00 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 56.27 1jxl s LYS 26 Cb 0.00 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1jxl s LYS 26 CO 0.00 0.43 1.59 -1.25 -0.92 0.00 0.00 175.35 175.20 1jxl s PRO 27 N -2.06 4.21 -0.11 -1.68 0.04 -1.26 -4.80 135.00 129.33 1jxl s PRO 27 Ca 0.40 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.64 1jxl s PRO 27 Cb -0.15 -3.77 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 1jxl s PRO 27 CO 0.20 -0.75 -0.21 0.08 0.04 0.00 0.00 177.00 176.35 1jxl s VAL 28 N 3.23 2.27 -0.21 -0.36 1.01 -1.26 -1.54 120.40 123.54 1jxl s VAL 28 Ca 0.71 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1jxl s VAL 28 Cb -0.35 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1jxl s VAL 28 CO 0.29 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 175.13 1jxl s VAL 29 N 0.39 1.83 -0.20 2.92 1.01 0.13 -1.15 120.40 125.32 1jxl s VAL 29 Ca -0.16 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1jxl s VAL 29 Cb -0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1jxl s VAL 29 CO 0.07 0.21 0.48 -0.69 0.00 0.00 0.00 175.10 175.18 1jxl s VAL 30 N 1.32 5.13 0.22 2.92 1.01 0.19 -0.80 120.40 130.39 1jxl s VAL 30 Ca -0.01 0.88 0.11 0.00 0.00 0.00 0.00 61.98 62.95 1jxl s VAL 30 Cb -0.16 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1jxl s VAL 30 CO -0.09 0.19 -0.18 0.00 0.00 0.00 0.00 175.10 175.02 1jxl s VAL 32 N -2.00 3.60 -0.21 0.00 1.01 0.60 -0.86 120.40 122.54 1jxl s VAL 32 Ca 0.25 -2.02 -0.24 0.00 0.00 0.00 0.00 61.98 59.98 1jxl s VAL 32 Cb -0.07 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1jxl s VAL 32 CO 0.13 -0.73 0.78 -0.36 0.00 0.00 0.00 175.10 174.92 1jxl s PHE 33 N 1.15 3.36 0.03 5.22 0.08 -1.26 -1.16 117.98 125.40 1jxl s PHE 33 Ca 0.08 1.12 0.10 0.00 0.12 0.00 0.00 56.93 58.34 1jxl s PHE 33 Cb -0.24 -2.97 -0.17 0.00 -0.57 0.00 0.00 43.02 39.07 1jxl s PHE 33 CO -0.03 -0.29 1.16 0.66 -0.10 0.00 0.00 175.22 176.62 1jxl h SER 34 N 7.53 0.00 0.00 1.36 4.64 -1.85 -3.49 113.55 121.74 1jxl h SER 34 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1jxl h SER 34 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1jxl h SER 34 CO 0.83 0.90 0.00 0.61 -0.87 0.00 0.00 176.83 178.31 1jxl n GLY 35 N 1.37 0.98 0.02 -0.77 0.00 -1.26 -4.77 105.19 100.76 1jxl n GLY 35 Ca -0.03 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1jxl n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxl n ARG 36 N -2.04 0.66 -3.61 1.61 1.74 -1.26 -4.83 116.66 108.93 1jxl n ARG 36 Ca 0.00 -0.18 -0.01 0.00 -0.77 0.00 0.00 57.85 56.88 1jxl n ARG 36 Cb 0.00 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 1jxl n ARG 36 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1jxl s PHE 37 N -3.46 -0.08 -0.20 -1.55 -0.12 -1.26 -4.99 117.98 106.32 1jxl s PHE 37 Ca -0.08 0.01 -0.35 0.00 -0.05 0.00 0.00 56.93 56.46 1jxl s PHE 37 Cb 0.13 0.53 -0.12 0.00 -0.63 0.00 0.00 43.02 42.93 1jxl s PHE 37 CO 0.90 -0.21 1.96 -1.91 -0.05 0.00 0.00 175.22 175.91 1jxl n GLU 38 N -0.26 1.72 -2.96 1.99 2.13 -1.26 -0.92 120.64 121.08 1jxl n GLU 38 Ca -0.03 0.59 -0.19 0.00 0.66 0.00 0.00 57.16 58.19 1jxl n GLU 38 Cb 0.60 -2.55 0.04 0.00 0.27 0.00 0.00 31.44 29.79 1jxl n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1jxl n ASP 39 N 7.62 -5.37 -4.78 4.31 8.00 -1.26 -4.96 116.55 120.12 1jxl n ASP 39 Ca 0.28 -0.27 -0.38 0.00 0.71 0.00 0.00 54.79 55.14 1jxl n ASP 39 Cb 0.26 -4.17 -0.06 0.00 -0.02 0.00 0.00 41.12 37.13 1jxl n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jxl s SER 40 N -2.84 7.38 0.00 -2.24 1.04 -0.10 -3.74 113.70 113.21 1jxl s SER 40 Ca 0.28 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1jxl s SER 40 Cb -0.13 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1jxl s SER 40 CO 0.35 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.25 1jxl n GLY 41 N 1.05 1.44 3.38 7.32 0.00 -1.26 -2.38 105.19 114.75 1jxl n GLY 41 Ca -0.01 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 1jxl n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxl s ALA 42 N -1.19 2.19 -0.22 4.61 0.00 -0.31 -1.76 121.76 125.09 1jxl s ALA 42 Ca 0.00 -1.73 -0.27 0.00 0.00 0.00 0.00 51.96 49.96 1jxl s ALA 42 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1jxl s ALA 42 CO 0.00 0.09 0.95 0.08 0.00 0.00 0.00 175.76 176.88 1jxl s VAL 43 N -2.89 4.76 -0.11 0.00 1.01 -0.33 -0.30 120.40 122.54 1jxl s VAL 43 Ca 0.25 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.78 1jxl s VAL 43 Cb -0.01 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.89 1jxl s VAL 43 CO 0.09 -0.11 0.87 0.00 0.00 0.00 0.00 175.10 175.95 1jxl h ALA 44 N 7.48 -0.00 -2.85 5.51 0.00 -1.39 0.11 119.26 128.12 1jxl h ALA 44 Ca -0.22 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1jxl h ALA 44 Cb 1.09 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1jxl h ALA 44 CO 0.92 -0.05 0.27 -0.08 0.00 0.00 0.00 179.25 180.31 1jxl s THR 45 N -2.65 0.00 0.04 0.00 -1.32 -1.09 -4.46 115.64 106.16 1jxl s THR 45 Ca -0.18 -0.32 -0.02 0.00 -1.21 0.00 0.00 61.69 59.95 1jxl s THR 45 Cb -0.02 -1.35 -0.03 0.00 -1.51 0.00 0.00 72.50 69.60 1jxl s THR 45 CO 0.68 0.00 0.02 0.00 -2.21 0.00 0.00 174.62 173.11 1jxl s ALA 46 N -3.68 0.24 1.00 11.08 0.00 -1.26 -0.64 121.76 128.50 1jxl s ALA 46 Ca 0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 1jxl s ALA 46 Cb -0.02 0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.52 1jxl s ALA 46 CO -0.06 -0.33 0.97 0.27 0.00 0.00 0.00 175.76 176.61 1jxl n ASN 47 N 0.55 0.02 -0.25 0.00 0.23 -0.30 -4.76 115.26 110.76 1jxl n ASN 47 Ca -0.17 -1.34 -0.05 0.00 -0.53 0.00 0.00 54.58 52.48 1jxl n ASN 47 Cb 0.59 -0.74 0.05 0.00 -2.08 0.00 0.00 39.78 37.60 1jxl n ASN 47 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1jxl h TYR 48 N -1.59 0.89 -0.68 -2.53 -1.99 -1.95 0.34 116.97 109.47 1jxl h TYR 48 Ca -0.31 0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.54 1jxl h TYR 48 Cb 0.87 -0.30 -0.08 0.00 2.00 0.00 0.00 36.73 39.22 1jxl h TYR 48 CO 0.00 0.58 0.28 0.93 -0.00 0.00 0.00 178.16 179.95 1jxl h GLU 49 N 0.95 0.45 -0.22 4.88 4.39 -1.92 0.16 114.58 123.26 1jxl h GLU 49 Ca 0.25 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.76 1jxl h GLU 49 Cb -0.08 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1jxl h GLU 49 CO -0.05 0.30 -0.50 0.00 -1.16 0.00 0.00 179.01 177.60 1jxl h ALA 50 N 1.47 0.36 -0.24 3.43 0.00 -1.73 -3.24 119.26 119.31 1jxl h ALA 50 Ca 0.36 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1jxl h ALA 50 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jxl h ALA 50 CO -0.34 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.36 1jxl h ARG 51 N 0.45 0.39 -1.08 0.00 3.08 -0.44 -2.11 114.38 114.67 1jxl h ARG 51 Ca 0.00 -0.09 0.30 0.00 0.07 0.00 0.00 59.98 60.26 1jxl h ARG 51 Cb 1.11 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 1jxl h ARG 51 CO 0.11 0.49 0.76 0.87 -1.07 0.00 0.00 179.97 181.13 1jxl h LYS 52 N 0.37 0.10 -0.44 0.04 1.57 -0.72 -0.95 116.57 116.53 1jxl h LYS 52 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jxl h LYS 52 Cb 0.40 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1jxl h LYS 52 CO 0.02 0.06 0.00 1.19 -0.57 0.00 0.00 179.45 180.15 1jxl n PHE 53 N -4.31 0.58 0.00 -1.35 3.72 -0.83 -4.95 117.46 110.32 1jxl n PHE 53 Ca 0.24 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1jxl n PHE 53 Cb 1.09 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 1jxl n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jxl n GLY 54 N 1.30 0.59 3.59 1.37 0.00 -0.36 -5.00 105.19 106.67 1jxl n GLY 54 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1jxl n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxl s VAL 55 N -2.00 4.76 0.17 1.61 1.01 -0.97 -4.99 120.40 120.00 1jxl s VAL 55 Ca 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 1jxl s VAL 55 Cb 0.00 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1jxl s VAL 55 CO 0.00 -0.37 0.30 -1.59 0.00 0.00 0.00 175.10 173.44 1jxl s LYS 56 N 3.03 1.20 0.22 2.72 -2.85 -1.26 -2.83 119.74 119.96 1jxl s LYS 56 Ca 0.31 -1.20 -0.31 0.00 -1.00 0.00 0.00 55.97 53.77 1jxl s LYS 56 Cb -0.14 0.38 -0.15 0.00 -2.06 0.00 0.00 37.83 35.87 1jxl s LYS 56 CO 0.15 -0.44 1.16 0.00 0.10 0.00 0.00 175.35 176.32 1jxl n ALA 57 N -0.23 -0.31 0.00 0.59 0.00 -1.26 -2.87 120.51 116.43 1jxl n ALA 57 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1jxl n ALA 57 Cb 0.63 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1jxl n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxl n GLY 58 N 1.81 2.63 3.85 0.00 0.00 0.37 -4.98 105.19 108.87 1jxl n GLY 58 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1jxl n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jxl s ILE 59 N -2.69 4.57 0.52 -0.61 -4.36 -1.14 -4.72 121.20 112.77 1jxl s ILE 59 Ca 0.00 1.13 -0.21 0.00 -0.26 0.00 0.00 60.65 61.31 1jxl s ILE 59 Cb 0.00 -3.71 -0.06 0.00 1.25 0.00 0.00 42.46 39.94 1jxl s ILE 59 CO 0.00 -0.62 1.21 -2.84 0.24 0.00 0.00 174.94 172.92 1jxl s PRO 60 N -3.94 3.41 0.24 0.37 0.02 -1.26 -1.19 135.00 132.66 1jxl s PRO 60 Ca 0.58 1.85 -0.05 0.00 0.02 0.00 0.00 61.00 63.40 1jxl s PRO 60 Cb -0.10 -2.21 0.38 0.00 0.02 0.00 0.00 34.50 32.59 1jxl s PRO 60 CO 0.30 -0.86 1.82 0.82 -0.33 0.00 0.00 177.00 178.75 1jxl h ILE 61 N 1.48 0.95 -0.99 2.83 2.04 -1.56 -1.52 117.51 120.73 1jxl h ILE 61 Ca -0.50 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.17 1jxl h ILE 61 Cb 1.27 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 1jxl h ILE 61 CO 0.58 0.15 0.62 0.58 0.00 0.00 0.00 178.15 180.09 1jxl h VAL 62 N 0.84 0.98 -0.18 1.67 2.07 -1.83 -0.68 116.25 119.12 1jxl h VAL 62 Ca 0.39 -0.36 -0.19 0.00 0.82 0.00 0.00 66.70 67.36 1jxl h VAL 62 Cb 0.31 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1jxl h VAL 62 CO -0.23 0.19 -0.65 -0.33 0.02 0.00 0.00 177.57 176.57 1jxl h GLU 63 N 1.04 0.69 -0.59 1.57 4.39 -1.67 -2.88 114.58 117.12 1jxl h GLU 63 Ca 0.47 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1jxl h GLU 63 Cb 0.37 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1jxl h GLU 63 CO -0.23 1.11 0.39 0.00 -1.16 0.00 0.00 179.01 179.13 1jxl h ALA 64 N 0.76 1.58 0.00 3.43 0.00 -0.73 -2.16 119.26 122.14 1jxl h ALA 64 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1jxl h ALA 64 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1jxl h ALA 64 CO 0.13 0.39 -0.49 0.87 0.00 0.00 0.00 179.25 180.15 1jxl h LYS 65 N 0.81 0.00 -0.05 0.00 1.57 -1.01 -0.08 116.57 117.80 1jxl h LYS 65 Ca 0.22 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1jxl h LYS 65 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1jxl h LYS 65 CO -0.05 0.49 -0.48 0.87 -0.57 0.00 0.00 179.45 179.71 1jxl h LYS 66 N 0.00 0.13 0.11 3.15 1.57 -1.19 -2.08 116.57 118.25 1jxl h LYS 66 Ca -0.00 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 1jxl h LYS 66 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1jxl h LYS 66 CO 0.06 0.59 -1.11 0.82 -0.57 0.00 0.00 179.45 179.24 1jxl h ILE 67 N 0.10 1.24 -2.42 1.86 2.04 -1.06 -3.42 117.51 115.85 1jxl h ILE 67 Ca 0.00 -2.43 -0.59 0.00 1.00 0.00 0.00 64.86 62.84 1jxl h ILE 67 Cb 0.90 2.90 -0.40 0.00 -0.74 0.00 0.00 36.82 39.48 1jxl h ILE 67 CO 0.07 0.68 -0.85 0.18 0.00 0.00 0.00 178.15 178.23 1jxl n LEU 68 N -4.07 1.20 0.32 1.44 4.77 -0.09 -4.98 117.00 115.59 1jxl n LEU 68 Ca -0.20 -4.82 0.21 0.00 -0.03 0.00 0.00 56.01 51.16 1jxl n LEU 68 Cb 0.84 0.06 1.08 0.00 -2.33 0.00 0.00 43.42 43.07 1jxl n LEU 68 CO 0.42 1.92 1.14 1.55 -1.33 0.00 0.00 177.39 181.09 1jxl h PRO 69 N 4.95 0.00 -0.53 3.23 0.13 -1.58 -2.52 132.00 135.68 1jxl h PRO 69 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1jxl h PRO 69 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1jxl h PRO 69 CO 0.55 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 1jxl n ASN 70 N -3.21 4.27 -4.81 1.44 3.02 -1.26 -4.98 115.26 109.73 1jxl n ASN 70 Ca -0.02 -2.45 -0.30 0.00 -0.03 0.00 0.00 54.58 51.77 1jxl n ASN 70 Cb 0.12 -0.51 0.08 0.00 -0.61 0.00 0.00 39.78 38.86 1jxl n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jxl s ALA 71 N -1.84 2.33 -0.26 5.41 0.00 -0.95 -4.96 121.76 121.48 1jxl s ALA 71 Ca 0.44 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 1jxl s ALA 71 Cb 0.29 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1jxl s ALA 71 CO 0.20 -1.65 0.74 0.08 0.00 0.00 0.00 175.76 175.14 1jxl s VAL 72 N -3.16 4.88 -0.32 0.00 1.01 -0.59 -4.98 120.40 117.25 1jxl s VAL 72 Ca 0.60 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 1jxl s VAL 72 Cb -0.14 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1jxl s VAL 72 CO 0.54 -0.08 0.19 -0.31 0.00 0.00 0.00 175.10 175.44 1jxl s TYR 73 N 2.74 3.20 0.03 5.22 2.02 -1.26 -0.70 117.35 128.60 1jxl s TYR 73 Ca 0.31 -0.43 0.09 0.00 -0.37 0.00 0.00 57.07 56.66 1jxl s TYR 73 Cb -0.15 -2.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 1jxl s TYR 73 CO 0.09 -0.42 -0.25 -0.51 -1.57 0.00 0.00 175.55 172.90 1jxl s LEU 74 N 1.66 2.24 0.35 -1.29 1.43 0.02 -4.98 118.68 118.10 1jxl s LEU 74 Ca 0.05 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1jxl s LEU 74 Cb -0.17 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.61 1jxl s LEU 74 CO 0.08 0.27 0.98 -2.16 0.23 0.00 0.00 176.35 175.75 1jxl s PRO 75 N -1.14 4.44 0.24 1.29 0.04 -1.26 0.99 135.00 139.59 1jxl s PRO 75 Ca 0.12 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.21 1jxl s PRO 75 Cb -0.10 -2.68 -0.13 0.00 0.04 0.00 0.00 34.50 31.63 1jxl s PRO 75 CO 0.02 0.14 1.49 -1.33 0.04 0.00 0.00 177.00 177.35 1jxl n MET 76 N 0.28 2.23 -3.25 4.56 2.81 -0.04 -4.74 117.12 118.96 1jxl n MET 76 Ca 0.03 0.79 -0.25 0.00 -1.81 0.00 0.00 57.70 56.46 1jxl n MET 76 Cb 0.50 -2.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.44 1jxl n MET 76 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jxl n ARG 77 N 2.35 1.94 -0.30 0.03 1.74 -1.26 -4.97 116.66 116.19 1jxl n ARG 77 Ca 0.12 -4.14 0.09 0.00 -0.77 0.00 0.00 57.85 53.14 1jxl n ARG 77 Cb 0.32 -1.89 0.25 0.00 -1.02 0.00 0.00 32.46 30.12 1jxl n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1jxl h LYS 78 N 3.82 0.60 -0.90 5.56 1.63 -1.99 -1.19 116.57 124.09 1jxl h LYS 78 Ca 0.14 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1jxl h LYS 78 Cb 0.73 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.17 1jxl h LYS 78 CO 0.69 0.39 0.58 0.93 -3.45 0.00 0.00 179.45 178.60 1jxl h GLU 79 N 0.61 1.09 -0.35 1.90 3.07 -1.98 0.28 114.58 119.20 1jxl h GLU 79 Ca 0.49 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.22 1jxl h GLU 79 Cb 0.73 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1jxl h GLU 79 CO -0.39 0.72 -0.04 0.28 -1.40 0.00 0.00 179.01 178.19 1jxl h VAL 80 N 1.12 1.27 -0.31 3.13 2.07 -1.67 -1.12 116.25 120.75 1jxl h VAL 80 Ca 0.36 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1jxl h VAL 80 Cb 0.02 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1jxl h VAL 80 CO -0.12 0.35 -0.12 1.88 0.02 0.00 0.00 177.57 179.57 1jxl h TYR 81 N 0.44 0.58 -0.66 1.57 0.05 -0.98 -1.83 116.97 116.14 1jxl h TYR 81 Ca 0.09 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1jxl h TYR 81 Cb 0.52 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1jxl h TYR 81 CO 0.04 0.64 0.13 0.37 -1.05 0.00 0.00 178.16 178.29 1jxl h GLN 82 N 0.49 1.07 -0.34 4.88 5.75 -0.15 0.10 115.11 126.92 1jxl h GLN 82 Ca 0.09 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1jxl h GLN 82 Cb 0.51 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1jxl h GLN 82 CO 0.03 0.98 0.00 1.96 -2.65 0.00 0.00 178.83 179.15 1jxl h GLN 83 N 0.99 0.60 -0.82 1.69 4.20 -0.72 -0.68 115.11 120.37 1jxl h GLN 83 Ca 0.20 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1jxl h GLN 83 Cb 0.41 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 1jxl h GLN 83 CO 0.01 0.72 0.38 0.28 -0.67 0.00 0.00 178.83 179.54 1jxl h VAL 84 N 0.41 1.26 -0.39 -0.54 2.07 -1.19 -2.51 116.25 115.36 1jxl h VAL 84 Ca 0.10 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1jxl h VAL 84 Cb 0.44 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1jxl h VAL 84 CO 0.02 0.32 0.24 -1.28 0.02 0.00 0.00 177.57 176.88 1jxl h SER 85 N 1.18 0.47 -0.40 0.57 0.87 -0.51 -2.14 113.55 113.59 1jxl h SER 85 Ca 0.28 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1jxl h SER 85 Cb 0.15 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1jxl h SER 85 CO -0.03 0.38 0.27 0.28 -0.53 0.00 0.00 176.83 177.20 1jxl h SER 86 N 0.51 0.31 0.12 6.23 0.02 -0.86 0.14 113.55 120.02 1jxl h SER 86 Ca 0.14 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 1jxl h SER 86 Cb 0.00 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jxl h SER 86 CO -0.03 0.21 -0.69 0.03 -1.14 0.00 0.00 176.83 175.21 1jxl h ARG 87 N 0.36 0.52 -0.22 3.45 3.08 -1.00 -1.62 114.38 118.96 1jxl h ARG 87 Ca 0.17 -0.40 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 1jxl h ARG 87 Cb 0.23 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1jxl h ARG 87 CO -0.04 1.03 -0.42 0.82 -1.07 0.00 0.00 179.97 180.29 1jxl h ILE 88 N 0.37 1.30 -0.61 2.04 2.04 -0.61 -2.41 117.51 119.63 1jxl h ILE 88 Ca -0.03 -1.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.18 1jxl h ILE 88 Cb 1.27 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1jxl h ILE 88 CO 0.13 0.50 0.12 0.24 0.00 0.00 0.00 178.15 179.14 1jxl h MET 89 N 0.43 0.98 -0.30 2.37 2.86 -0.88 -1.41 114.93 118.97 1jxl h MET 89 Ca 0.03 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1jxl h MET 89 Cb 0.92 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1jxl h MET 89 CO 0.08 0.89 0.19 -0.91 1.06 0.00 0.00 176.91 178.22 1jxl h ASN 90 N 0.93 0.35 0.08 1.22 2.35 -1.00 -0.85 115.58 118.66 1jxl h ASN 90 Ca 0.19 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 1jxl h ASN 90 Cb 0.37 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1jxl h ASN 90 CO 0.01 0.26 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.58 1jxl h LEU 91 N 0.41 0.44 -1.09 1.61 3.38 -0.80 -3.06 115.31 116.21 1jxl h LEU 91 Ca 0.11 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1jxl h LEU 91 Cb -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jxl h LEU 91 CO -0.02 0.80 -0.26 -0.07 0.09 0.00 0.00 178.44 178.98 1jxl h LEU 92 N 0.35 0.00 -2.30 1.67 3.38 -0.36 -2.91 115.31 115.13 1jxl h LEU 92 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jxl h LEU 92 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jxl h LEU 92 CO 0.07 0.26 0.00 0.03 0.09 0.00 0.00 178.44 178.89 1jxl h ARG 93 N 0.00 0.00 0.00 1.13 3.08 -1.32 -1.81 114.38 115.46 1jxl h ARG 93 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jxl h ARG 93 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1jxl h ARG 93 CO 0.03 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 179.85 1jxl h GLU 94 N 0.00 0.00 0.00 0.04 4.39 -1.65 -2.86 114.58 114.50 1jxl h GLU 94 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jxl h GLU 94 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1jxl h GLU 94 CO 0.00 0.01 -0.87 0.66 -1.16 0.00 0.00 179.01 177.66 1jxl n TYR 95 N -3.11 0.01 -3.64 4.33 4.01 -0.68 -4.96 117.16 113.11 1jxl n TYR 95 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1jxl n TYR 95 Cb 0.35 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1jxl n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jxl s SER 96 N -3.05 -0.28 0.32 7.72 0.15 -1.08 -4.94 113.70 112.55 1jxl s SER 96 Ca 0.09 0.51 0.25 0.00 0.70 0.00 0.00 55.95 57.49 1jxl s SER 96 Cb 0.16 0.65 0.62 0.00 -1.71 0.00 0.00 66.02 65.74 1jxl s SER 96 CO 0.82 -0.09 1.71 -0.33 1.20 0.00 0.00 173.24 176.55 1jxl h GLU 97 N 4.13 0.00 -4.18 5.44 3.07 -1.91 -3.40 114.58 117.74 1jxl h GLU 97 Ca -0.28 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 57.83 1jxl h GLU 97 Cb 1.18 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.86 1jxl h GLU 97 CO 0.16 0.00 -0.08 0.15 -1.40 0.00 0.00 179.01 177.84 1jxl s LYS 98 N -3.16 3.11 -0.02 2.33 1.02 -1.26 -5.02 119.74 116.74 1jxl s LYS 98 Ca 0.09 -1.76 0.01 0.00 0.02 0.00 0.00 55.97 54.32 1jxl s LYS 98 Cb 0.09 -4.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.09 1jxl s LYS 98 CO 0.62 -1.37 -0.02 -1.50 -0.92 0.00 0.00 175.35 172.16 1jxl s ILE 99 N 1.59 0.31 -0.30 2.17 2.07 -1.26 -2.17 121.20 123.61 1jxl s ILE 99 Ca 0.08 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1jxl s ILE 99 Cb -0.25 -0.34 0.05 0.00 0.13 0.00 0.00 42.46 42.05 1jxl s ILE 99 CO 0.01 0.15 0.01 -0.70 -1.91 0.00 0.00 174.94 172.50 1jxl s GLU 100 N 0.65 2.41 -0.56 3.50 2.12 0.98 -4.14 118.70 123.65 1jxl s GLU 100 Ca -0.07 -1.29 -0.21 0.00 0.36 0.00 0.00 54.97 53.76 1jxl s GLU 100 Cb -0.10 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 31.15 1jxl s GLU 100 CO -0.01 -0.64 0.81 0.42 -0.54 0.00 0.00 175.26 175.31 1jxl s ILE 101 N 1.25 4.59 -0.06 -3.70 1.01 -1.26 -0.01 121.20 123.02 1jxl s ILE 101 Ca -0.05 -0.26 0.13 0.00 0.00 0.00 0.00 60.65 60.47 1jxl s ILE 101 Cb -0.20 -4.48 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 1jxl s ILE 101 CO -0.01 -1.08 1.28 0.00 0.00 0.00 0.00 174.94 175.12 1jxl h ALA 102 N 9.24 0.57 -2.30 9.38 0.00 -1.41 -3.44 119.26 131.31 1jxl h ALA 102 Ca -0.28 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 53.98 1jxl h ALA 102 Cb 1.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jxl h ALA 102 CO 1.07 0.91 0.26 -1.13 0.00 0.00 0.00 179.25 180.35 1jxl n SER 103 N -3.22 -1.09 0.28 0.00 3.41 -1.12 -4.95 113.62 106.93 1jxl n SER 103 Ca -0.01 -1.66 0.14 0.00 -0.26 0.00 0.00 58.87 57.08 1jxl n SER 103 Cb 0.83 1.79 0.81 0.00 -0.26 0.00 0.00 64.21 67.38 1jxl n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1jxl h ILE 104 N 1.55 0.55 0.00 -1.33 2.10 -2.00 -3.09 117.51 115.28 1jxl h ILE 104 Ca -0.17 -0.31 -0.03 0.00 1.08 0.00 0.00 64.86 65.44 1jxl h ILE 104 Cb 0.67 1.20 -0.06 0.00 -1.09 0.00 0.00 36.82 37.54 1jxl h ILE 104 CO 0.22 0.07 -0.40 -0.90 -1.08 0.00 0.00 178.15 176.05 1jxl n ASP 105 N -3.73 1.48 -3.83 2.19 5.75 -1.26 -4.80 116.55 112.35 1jxl n ASP 105 Ca -0.02 -2.92 -0.12 0.00 -0.01 0.00 0.00 54.79 51.72 1jxl n ASP 105 Cb 0.17 -0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 39.74 1jxl n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jxl s GLU 106 N -1.93 0.11 -0.13 0.11 2.02 -1.17 -0.93 118.70 116.78 1jxl s GLU 106 Ca 0.27 0.16 -0.14 0.00 0.02 0.00 0.00 54.97 55.28 1jxl s GLU 106 Cb 0.26 0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.56 1jxl s GLU 106 CO -0.03 -0.03 0.39 0.00 0.02 0.00 0.00 175.26 175.61 1jxl s ALA 107 N 0.19 -0.97 -0.05 5.21 0.00 -0.44 -0.92 121.76 124.77 1jxl s ALA 107 Ca -0.01 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1jxl s ALA 107 Cb -0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1jxl s ALA 107 CO -0.01 -0.20 -0.04 0.71 0.00 0.00 0.00 175.76 176.22 1jxl s TYR 108 N -0.05 3.00 -0.10 0.00 2.02 0.99 -0.89 117.35 122.31 1jxl s TYR 108 Ca -0.02 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1jxl s TYR 108 Cb -0.03 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1jxl s TYR 108 CO 0.01 0.39 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.66 1jxl s LEU 109 N -1.06 2.00 -0.51 -1.29 1.02 0.11 -0.01 118.68 118.93 1jxl s LEU 109 Ca 0.15 -0.52 -0.24 0.00 0.02 0.00 0.00 54.13 53.54 1jxl s LEU 109 Cb -0.11 -1.30 0.04 0.00 0.02 0.00 0.00 46.19 44.83 1jxl s LEU 109 CO 0.04 0.12 0.91 -0.62 0.02 0.00 0.00 176.35 176.82 1jxl s ASP 110 N 0.51 6.39 -0.28 2.29 -1.08 -0.92 -0.91 116.67 122.67 1jxl s ASP 110 Ca -0.16 -0.21 0.11 0.00 -0.52 0.00 0.00 52.55 51.77 1jxl s ASP 110 Cb -0.17 -2.43 0.55 0.00 -1.46 0.00 0.00 42.92 39.41 1jxl s ASP 110 CO 0.06 -1.13 1.53 2.30 0.52 0.00 0.00 175.17 178.45 1jxl n ILE 111 N 6.24 2.58 -0.33 4.11 -5.35 -0.66 -4.69 119.36 121.25 1jxl n ILE 111 Ca 0.03 -2.31 0.06 0.00 -0.27 0.00 0.00 62.75 60.25 1jxl n ILE 111 Cb 0.48 -0.32 0.24 0.00 -1.74 0.00 0.00 39.64 38.30 1jxl n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1jxl h SER 112 N 1.37 0.92 -0.08 7.28 0.02 -1.84 -1.06 113.55 120.16 1jxl h SER 112 Ca 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1jxl h SER 112 Cb 1.79 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1jxl h SER 112 CO 0.45 0.55 0.00 0.47 -1.14 0.00 0.00 176.83 177.16 1jxl n ASP 113 N -4.54 1.08 -0.02 3.07 8.00 -1.26 -3.88 116.55 119.00 1jxl n ASP 113 Ca 0.16 -1.53 0.01 0.00 0.71 0.00 0.00 54.79 54.14 1jxl n ASP 113 Cb 0.27 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 1jxl n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jxl n LYS 114 N -0.10 1.16 -4.16 -1.24 4.76 -0.47 -5.04 118.16 113.08 1jxl n LYS 114 Ca 0.17 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1jxl n LYS 114 Cb 0.25 -1.23 -0.10 0.00 -1.84 0.00 0.00 35.03 32.11 1jxl n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jxl s VAL 115 N -2.49 0.77 -0.19 -0.18 -7.23 -0.81 -5.06 120.40 105.21 1jxl s VAL 115 Ca -0.04 -1.73 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 1jxl s VAL 115 Cb 0.05 -1.43 -0.22 0.00 0.56 0.00 0.00 36.38 35.34 1jxl s VAL 115 CO 0.38 -0.70 0.09 0.54 -0.31 0.00 0.00 175.10 175.10 1jxl n ARG 116 N 0.35 0.70 -3.67 4.82 1.74 -1.26 -4.72 116.66 114.62 1jxl n ARG 116 Ca -0.15 0.24 -0.15 0.00 -0.77 0.00 0.00 57.85 57.01 1jxl n ARG 116 Cb 0.59 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1jxl n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1jxl n ASP 117 N -3.49 -0.03 0.24 0.55 5.68 -1.26 -5.05 116.55 113.19 1jxl n ASP 117 Ca -0.39 -2.60 0.11 0.00 -0.50 0.00 0.00 54.79 51.42 1jxl n ASP 117 Cb 1.00 1.09 0.54 0.00 -1.14 0.00 0.00 41.12 42.60 1jxl n ASP 117 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1jxl h TYR 118 N 1.70 0.00 -0.27 2.11 0.05 -1.98 -1.50 116.97 117.09 1jxl h TYR 118 Ca -0.19 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.43 1jxl h TYR 118 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1jxl h TYR 118 CO 0.00 0.18 -0.47 -0.09 -1.05 0.00 0.00 178.16 176.73 1jxl h ARG 119 N 0.00 0.71 0.00 4.88 2.43 -1.99 0.17 114.38 120.58 1jxl h ARG 119 Ca -0.00 -0.40 -0.17 0.00 -0.81 0.00 0.00 59.98 58.60 1jxl h ARG 119 Cb 0.64 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1jxl h ARG 119 CO 0.02 1.02 -0.80 0.93 -1.51 0.00 0.00 179.97 179.64 1jxl h GLU 120 N 0.56 0.00 -0.16 0.20 5.08 -1.94 -2.87 114.58 115.45 1jxl h GLU 120 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1jxl h GLU 120 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1jxl h GLU 120 CO 0.10 0.80 -0.49 0.00 -1.00 0.00 0.00 179.01 178.41 1jxl h ALA 121 N 1.20 0.27 -0.38 3.43 0.00 -0.95 -1.75 119.26 121.08 1jxl h ALA 121 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jxl h ALA 121 Cb 1.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1jxl h ALA 121 CO 0.10 0.44 0.24 -0.92 0.00 0.00 0.00 179.25 179.12 1jxl h TYR 122 N 0.27 0.49 -0.07 0.00 3.20 -0.69 -0.78 116.97 119.39 1jxl h TYR 122 Ca -0.02 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.62 1jxl h TYR 122 Cb 1.12 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 39.24 1jxl h TYR 122 CO 0.10 0.32 -0.91 -0.91 -1.64 0.00 0.00 178.16 175.12 1jxl h ASN 123 N 0.52 0.88 -0.26 -2.11 2.35 -1.34 -2.66 115.58 112.97 1jxl h ASN 123 Ca 0.14 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 1jxl h ASN 123 Cb -0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1jxl h ASN 123 CO -0.03 1.44 0.14 0.25 -1.65 0.00 0.00 177.43 177.58 1jxl h LEU 124 N 0.44 0.35 -0.42 1.61 5.85 -0.64 -1.48 115.31 121.03 1jxl h LEU 124 Ca -0.09 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1jxl h LEU 124 Cb 1.55 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1jxl h LEU 124 CO 0.18 0.30 0.07 1.23 -0.34 0.00 0.00 178.44 179.89 1jxl h GLY 125 N 0.50 0.75 1.16 3.75 0.00 -0.99 -1.19 103.07 107.05 1jxl h GLY 125 Ca 0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1jxl h GLY 125 CO -0.02 0.46 0.31 1.41 0.00 0.00 0.00 176.54 178.70 1jxl h LEU 126 N 0.55 0.99 -0.96 3.11 3.38 -1.05 -0.84 115.31 120.49 1jxl h LEU 126 Ca 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1jxl h LEU 126 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jxl h LEU 126 CO 0.01 0.87 0.08 -0.08 0.09 0.00 0.00 178.44 179.40 1jxl h GLU 127 N 1.06 0.84 -0.19 1.13 4.81 -0.97 0.11 114.58 121.37 1jxl h GLU 127 Ca 0.25 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1jxl h GLU 127 Cb 0.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1jxl h GLU 127 CO -0.02 0.79 -0.51 0.82 -0.73 0.00 0.00 179.01 179.35 1jxl h ILE 128 N 0.80 1.31 -0.42 2.32 2.04 -0.86 -0.56 117.51 122.14 1jxl h ILE 128 Ca 0.17 -1.74 0.05 0.00 1.00 0.00 0.00 64.86 64.33 1jxl h ILE 128 Cb 0.37 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1jxl h ILE 128 CO 0.01 0.55 0.16 0.50 0.00 0.00 0.00 178.15 179.37 1jxl h LYS 129 N 0.38 0.33 -0.30 2.37 1.63 -0.77 -0.65 116.57 119.56 1jxl h LYS 129 Ca -0.01 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 1jxl h LYS 129 Cb 1.13 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1jxl h LYS 129 CO 0.11 0.22 -0.15 -0.91 -3.45 0.00 0.00 179.45 175.27 1jxl h ASN 130 N 0.34 0.66 -0.72 4.20 2.35 -0.75 -1.85 115.58 119.80 1jxl h ASN 130 Ca 0.19 -0.41 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1jxl h ASN 130 Cb 0.16 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1jxl h ASN 130 CO -0.18 0.92 0.47 0.50 -1.65 0.00 0.00 177.43 177.49 1jxl h LYS 131 N 0.39 0.91 -0.20 0.81 1.63 -0.73 0.82 116.57 120.20 1jxl h LYS 131 Ca 0.07 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.66 1jxl h LYS 131 Cb 0.67 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1jxl h LYS 131 CO 0.04 0.60 -0.49 0.82 -3.45 0.00 0.00 179.45 176.98 1jxl h ILE 132 N 0.94 1.31 -0.45 2.00 2.04 -1.03 -1.21 117.51 121.11 1jxl h ILE 132 Ca 0.27 -1.71 -0.10 0.00 1.00 0.00 0.00 64.86 64.32 1jxl h ILE 132 Cb -0.06 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1jxl h ILE 132 CO -0.08 0.53 -0.13 0.25 0.00 0.00 0.00 178.15 178.72 1jxl h LEU 133 N 0.43 0.83 0.10 1.44 5.85 -1.03 -0.25 115.31 122.68 1jxl h LEU 133 Ca 0.02 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1jxl h LEU 133 Cb 1.01 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1jxl h LEU 133 CO 0.09 0.97 -0.05 -0.08 -0.34 0.00 0.00 178.44 179.04 1jxl h GLU 134 N 0.75 -0.13 0.07 1.25 4.81 -0.70 -0.26 114.58 120.37 1jxl h GLU 134 Ca 0.12 0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.11 1jxl h GLU 134 Cb 0.64 0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.07 1jxl h GLU 134 CO 0.04 0.20 -1.00 0.87 -0.73 0.00 0.00 179.01 178.39 1jxl h LYS 135 N -0.46 0.56 -0.00 1.92 1.79 -1.20 -3.39 116.57 115.78 1jxl h LYS 135 Ca -0.01 -0.69 0.00 0.00 -2.18 0.00 0.00 60.65 57.77 1jxl h LYS 135 Cb 0.38 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1jxl h LYS 135 CO 0.02 1.29 -0.01 0.39 -1.08 0.00 0.00 179.45 180.07 1jxl n GLU 136 N -3.95 2.50 -2.70 3.15 -0.58 -0.14 -5.02 120.64 113.91 1jxl n GLU 136 Ca -0.12 -0.29 -0.18 0.00 -0.42 0.00 0.00 57.16 56.14 1jxl n GLU 136 Cb 0.87 -0.79 0.02 0.00 -0.57 0.00 0.00 31.44 30.97 1jxl n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1jxl n LYS 137 N -0.43 -3.17 -4.52 3.49 4.76 -0.11 -4.99 118.16 113.20 1jxl n LYS 137 Ca 0.00 0.79 -0.33 0.00 -2.87 0.00 0.00 58.31 55.90 1jxl n LYS 137 Cb 0.01 -5.32 -0.14 0.00 -1.84 0.00 0.00 35.03 27.74 1jxl n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1jxl s ILE 138 N -3.00 3.18 0.23 -0.18 -1.09 -1.24 -4.93 121.20 114.18 1jxl s ILE 138 Ca 0.17 -0.60 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 1jxl s ILE 138 Cb -0.07 -2.37 -0.08 0.00 -1.58 0.00 0.00 42.46 38.35 1jxl s ILE 138 CO 0.20 0.50 0.77 0.42 -1.23 0.00 0.00 174.94 175.61 1jxl s THR 139 N 0.62 4.47 0.13 2.92 -4.23 -1.26 -3.80 115.64 114.49 1jxl s THR 139 Ca -0.06 1.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.91 1jxl s THR 139 Cb -0.15 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 1jxl s THR 139 CO 0.03 0.25 -0.03 0.68 -0.54 0.00 0.00 174.62 175.01 1jxl s VAL 140 N -1.48 0.60 -0.11 2.29 -7.23 -1.26 -2.05 120.40 111.15 1jxl s VAL 140 Ca 0.43 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1jxl s VAL 140 Cb -0.18 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1jxl s VAL 140 CO 0.22 -0.69 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.33 1jxl s THR 141 N -3.70 3.35 -0.14 5.32 2.01 -0.51 -4.15 115.64 117.83 1jxl s THR 141 Ca 0.17 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1jxl s THR 141 Cb 0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1jxl s THR 141 CO -0.01 0.54 0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 1jxl s VAL 142 N -0.04 4.34 -0.07 3.82 1.01 -0.56 -1.95 120.40 126.94 1jxl s VAL 142 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1jxl s VAL 142 Cb -0.14 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1jxl s VAL 142 CO 0.03 0.53 -0.17 -0.83 0.00 0.00 0.00 175.10 174.66 1jxl s GLY 143 N -0.14 1.02 -0.02 4.51 0.00 -0.27 -1.71 107.32 110.71 1jxl s GLY 143 Ca 0.05 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1jxl s GLY 143 CO 0.02 -0.13 -0.15 -0.42 0.00 0.00 0.00 173.10 172.42 1jxl s ILE 144 N 0.44 1.21 0.00 0.90 1.01 -0.11 -0.55 121.20 124.11 1jxl s ILE 144 Ca -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1jxl s ILE 144 Cb -0.16 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.29 1jxl s ILE 144 CO 0.05 0.35 0.00 -0.24 0.00 0.00 0.00 174.94 175.10 1jxl n SER 145 N 2.86 0.00 0.06 3.58 2.88 -0.93 -1.13 113.62 120.95 1jxl n SER 145 Ca -0.16 -0.58 0.12 0.00 -1.33 0.00 0.00 58.87 56.92 1jxl n SER 145 Cb 0.54 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.24 1jxl n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1jxl n LYS 146 N 0.00 0.25 -4.04 -1.46 2.85 -1.26 -0.53 118.16 113.98 1jxl n LYS 146 Ca 0.00 0.10 -0.10 0.00 -1.05 0.00 0.00 58.31 57.26 1jxl n LYS 146 Cb 0.00 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 32.62 1jxl n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jxl s ASN 147 N -4.14 0.01 0.25 -5.58 2.20 -1.26 -4.53 114.94 101.88 1jxl s ASN 147 Ca 0.08 -1.03 -0.06 0.00 -0.94 0.00 0.00 52.86 50.91 1jxl s ASN 147 Cb 0.14 0.48 0.30 0.00 -2.00 0.00 0.00 41.25 40.17 1jxl s ASN 147 CO 0.69 -0.98 1.89 0.11 -2.94 0.00 0.00 177.10 175.87 1jxl h LYS 148 N 2.44 1.12 -0.52 3.55 1.57 -1.92 -1.94 116.57 120.88 1jxl h LYS 148 Ca -0.30 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1jxl h LYS 148 Cb 1.24 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1jxl h LYS 148 CO 0.44 0.74 0.27 0.28 -0.57 0.00 0.00 179.45 180.61 1jxl h VAL 149 N 1.15 1.19 0.00 0.50 2.07 -1.97 -2.03 116.25 117.16 1jxl h VAL 149 Ca 0.37 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1jxl h VAL 149 Cb 0.03 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1jxl h VAL 149 CO -0.13 0.20 -0.50 -0.26 0.02 0.00 0.00 177.57 176.90 1jxl h PHE 150 N 0.69 0.00 -0.69 1.57 0.04 -1.95 -2.16 116.94 114.44 1jxl h PHE 150 Ca 0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 1jxl h PHE 150 Cb 0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1jxl h PHE 150 CO -0.01 0.50 0.16 0.00 -0.60 0.00 0.00 178.31 178.37 1jxl h ALA 151 N 1.50 0.92 -0.27 2.45 0.00 -1.14 -0.83 119.26 121.89 1jxl h ALA 151 Ca -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1jxl h ALA 151 Cb 1.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jxl h ALA 151 CO 0.07 0.65 -0.34 -0.22 0.00 0.00 0.00 179.25 179.40 1jxl h LYS 152 N 1.05 0.71 -0.84 0.00 3.64 -1.25 -2.61 116.57 117.27 1jxl h LYS 152 Ca 0.22 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1jxl h LYS 152 Cb 0.38 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1jxl h LYS 152 CO 0.00 1.02 0.55 0.82 -2.27 0.00 0.00 179.45 179.58 1jxl h ILE 153 N 0.44 1.17 -0.65 2.00 2.04 -1.09 0.56 117.51 121.98 1jxl h ILE 153 Ca 0.03 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1jxl h ILE 153 Cb 0.92 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1jxl h ILE 153 CO 0.08 0.20 0.38 0.00 0.00 0.00 0.00 178.15 178.80 1jxl h ALA 154 N 1.49 0.84 -0.24 1.87 0.00 -0.99 -1.40 119.26 120.83 1jxl h ALA 154 Ca 0.32 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1jxl h ALA 154 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1jxl h ALA 154 CO -0.08 0.33 -0.29 0.00 0.00 0.00 0.00 179.25 179.21 1jxl h ALA 155 N 1.19 1.07 -0.20 0.00 0.00 -0.95 -0.64 119.26 119.72 1jxl h ALA 155 Ca 0.23 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1jxl h ALA 155 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jxl h ALA 155 CO -0.04 0.57 -0.33 -0.44 0.00 0.00 0.00 179.25 179.01 1jxl h ASP 156 N 0.41 0.43 -0.12 0.00 3.32 -0.41 -1.61 116.42 118.43 1jxl h ASP 156 Ca 0.06 -0.16 -0.22 0.00 0.02 0.00 0.00 57.03 56.73 1jxl h ASP 156 Cb 0.71 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1jxl h ASP 156 CO 0.05 0.73 -0.75 0.24 -1.72 0.00 0.00 179.24 177.79 1jxl h MET 157 N 0.36 0.77 0.00 3.56 2.86 -0.90 -3.32 114.93 118.26 1jxl h MET 157 Ca 0.04 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 1jxl h MET 157 Cb 0.75 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1jxl h MET 157 CO 0.06 1.23 -0.40 0.00 1.06 0.00 0.00 176.91 178.86 1jxl n ALA 158 N -2.59 3.19 -1.74 6.32 0.00 -0.28 -4.94 120.51 120.46 1jxl n ALA 158 Ca -0.07 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.74 1jxl n ALA 158 Cb 0.73 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.99 1jxl n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jxl s LYS 159 N -3.02 3.19 0.58 0.00 -2.85 -0.61 -3.41 119.74 113.62 1jxl s LYS 159 Ca 0.11 1.66 -0.03 0.00 -1.00 0.00 0.00 55.97 56.71 1jxl s LYS 159 Cb 0.17 -1.98 0.03 0.00 -2.06 0.00 0.00 37.83 33.99 1jxl s LYS 159 CO 0.66 -0.99 0.85 -1.25 0.10 0.00 0.00 175.35 174.73 1jxl s PRO 160 N -3.36 2.68 -0.70 1.78 0.04 -1.26 -4.92 135.00 129.25 1jxl s PRO 160 Ca 0.74 -0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.39 1jxl s PRO 160 Cb -0.26 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 31.96 1jxl s PRO 160 CO 0.30 -0.75 0.12 -1.71 0.04 0.00 0.00 177.00 175.00 1jxl n ASN 161 N -2.51 -2.49 -4.03 6.66 2.85 -1.26 -4.93 115.26 109.54 1jxl n ASN 161 Ca 0.06 0.13 -0.18 0.00 -0.11 0.00 0.00 54.58 54.48 1jxl n ASN 161 Cb 0.59 -2.17 0.01 0.00 1.24 0.00 0.00 39.78 39.45 1jxl n ASN 161 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jxl n GLY 162 N -0.75 2.64 3.51 8.20 0.00 -1.22 -4.95 105.19 112.61 1jxl n GLY 162 Ca -0.04 -2.25 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 1jxl n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jxl s ILE 163 N -1.86 -0.86 0.01 -0.61 2.07 -1.25 -1.50 121.20 117.20 1jxl s ILE 163 Ca 0.27 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.58 1jxl s ILE 163 Cb -0.02 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 1jxl s ILE 163 CO 0.17 0.03 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.43 1jxl s LYS 164 N 2.78 0.33 -0.08 3.50 2.47 -0.69 -4.99 119.74 123.07 1jxl s LYS 164 Ca -0.04 -0.37 0.03 0.00 -1.56 0.00 0.00 55.97 54.03 1jxl s LYS 164 Cb -0.12 -0.19 -0.02 0.00 -1.46 0.00 0.00 37.83 36.04 1jxl s LYS 164 CO -0.17 0.04 -0.19 0.08 0.16 0.00 0.00 175.35 175.28 1jxl s VAL 165 N -0.66 2.61 -0.36 4.02 1.01 -1.26 -0.93 120.40 124.83 1jxl s VAL 165 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1jxl s VAL 165 Cb -0.05 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.41 1jxl s VAL 165 CO -0.00 0.56 0.10 -0.63 0.00 0.00 0.00 175.10 175.13 1jxl s ILE 166 N -0.14 2.77 1.04 2.22 1.01 -0.28 -4.97 121.20 122.86 1jxl s ILE 166 Ca -0.03 -2.10 -0.17 0.00 0.00 0.00 0.00 60.65 58.36 1jxl s ILE 166 Cb -0.14 -2.91 0.23 0.00 0.01 0.00 0.00 42.46 39.64 1jxl s ILE 166 CO 0.04 -0.56 1.24 1.51 0.00 0.00 0.00 174.94 177.17 1jxl s ASP 167 N 1.34 2.38 0.25 3.58 1.47 -1.26 -4.45 116.67 119.99 1jxl s ASP 167 Ca 0.07 0.41 -0.03 0.00 1.18 0.00 0.00 52.55 54.19 1jxl s ASP 167 Cb -0.21 -0.54 0.47 0.00 -0.34 0.00 0.00 42.92 42.30 1jxl s ASP 167 CO -0.06 -3.20 1.79 0.44 0.68 0.00 0.00 175.17 174.82 1jxl h ASP 168 N -1.96 0.62 -0.44 2.11 5.19 -1.99 0.22 116.42 120.17 1jxl h ASP 168 Ca -0.45 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 55.97 1jxl h ASP 168 Cb 1.26 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1jxl h ASP 168 CO 0.37 0.31 0.05 -0.08 -3.12 0.00 0.00 179.24 176.78 1jxl h GLU 169 N 0.72 0.74 -0.13 3.56 4.81 -2.00 -1.93 114.58 120.35 1jxl h GLU 169 Ca 0.43 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1jxl h GLU 169 Cb 0.50 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1jxl h GLU 169 CO -0.30 0.78 -0.38 1.49 -0.73 0.00 0.00 179.01 179.88 1jxl h GLU 170 N 0.59 0.27 -0.14 1.92 4.81 -1.57 -1.64 114.58 118.82 1jxl h GLU 170 Ca 0.13 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1jxl h GLU 170 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1jxl h GLU 170 CO 0.01 0.61 0.09 0.28 -0.73 0.00 0.00 179.01 179.27 1jxl h VAL 171 N 0.23 1.07 -0.91 0.32 2.07 -0.40 0.14 116.25 118.77 1jxl h VAL 171 Ca 0.02 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1jxl h VAL 171 Cb 0.77 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1jxl h VAL 171 CO 0.06 0.07 0.60 0.11 0.02 0.00 0.00 177.57 178.42 1jxl h LYS 172 N 0.16 1.17 -0.08 1.57 1.57 -1.00 -1.14 116.57 118.82 1jxl h LYS 172 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jxl h LYS 172 Cb 0.03 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1jxl h LYS 172 CO -0.01 0.77 0.02 -0.09 -0.57 0.00 0.00 179.45 179.57 1jxl h ARG 173 N 1.20 0.12 -0.35 3.15 2.43 -0.80 -3.03 114.38 117.11 1jxl h ARG 173 Ca 0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1jxl h ARG 173 Cb -0.10 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1jxl h ARG 173 CO -0.08 0.31 0.22 -0.07 -1.51 0.00 0.00 179.97 178.83 1jxl h LEU 174 N -0.08 0.41 -2.00 3.80 3.38 -0.27 0.64 115.31 121.19 1jxl h LEU 174 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1jxl h LEU 174 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jxl h LEU 174 CO 0.00 0.32 0.10 0.40 0.09 0.00 0.00 178.44 179.34 1jxl h ILE 175 N 0.48 0.93 0.06 1.22 2.04 -1.10 0.24 117.51 121.39 1jxl h ILE 175 Ca 0.13 -0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.64 1jxl h ILE 175 Cb -0.03 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1jxl h ILE 175 CO -0.03 0.00 -1.97 0.54 0.00 0.00 0.00 178.15 176.70 1jxl n ARG 176 N -4.50 0.67 -0.03 2.37 1.74 0.10 -0.74 116.66 116.27 1jxl n ARG 176 Ca 0.00 0.32 -0.09 0.00 -0.77 0.00 0.00 57.85 57.32 1jxl n ARG 176 Cb 0.22 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 29.86 1jxl n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jxl n GLU 177 N -3.77 0.64 -2.11 5.56 1.02 0.20 -4.77 120.64 117.41 1jxl n GLU 177 Ca -0.37 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 1jxl n GLU 177 Cb 0.93 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 1jxl n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jxl s LEU 178 N -6.03 4.36 0.03 -4.62 2.96 0.82 -4.92 118.68 111.28 1jxl s LEU 178 Ca -0.05 2.37 -0.32 0.00 -0.22 0.00 0.00 54.13 55.90 1jxl s LEU 178 Cb 0.08 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 1jxl s LEU 178 CO 0.83 -0.71 1.86 -0.67 -1.32 0.00 0.00 176.35 176.33 1jxl n ASP 179 N 4.27 3.76 0.20 3.68 -0.08 -1.26 -4.21 116.55 122.90 1jxl n ASP 179 Ca 0.12 0.97 0.14 0.00 -1.51 0.00 0.00 54.79 54.51 1jxl n ASP 179 Cb 0.42 -1.47 0.73 0.00 2.34 0.00 0.00 41.12 43.14 1jxl n ASP 179 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1jxl h ILE 180 N 5.07 0.00 0.00 5.18 2.10 -1.66 -0.72 117.51 127.47 1jxl h ILE 180 Ca -0.48 -0.02 -0.02 0.00 1.08 0.00 0.00 64.86 65.42 1jxl h ILE 180 Cb 1.25 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1jxl h ILE 180 CO 0.94 0.00 -0.10 0.00 -1.08 0.00 0.00 178.15 177.91 1jxl h ALA 181 N 2.01 1.01 -0.16 0.18 0.00 -1.87 -2.58 119.26 117.85 1jxl h ALA 181 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jxl h ALA 181 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jxl h ALA 181 CO 0.00 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1jxl n ASP 182 N -3.22 1.26 -4.71 0.00 8.00 -0.28 -4.71 116.55 112.89 1jxl n ASP 182 Ca 0.01 -1.75 -0.40 0.00 0.71 0.00 0.00 54.79 53.36 1jxl n ASP 182 Cb 0.38 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1jxl n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jxl s VAL 183 N -1.79 5.04 0.17 2.53 1.01 -0.97 -4.97 120.40 121.42 1jxl s VAL 183 Ca 0.27 1.44 -0.32 0.00 0.00 0.00 0.00 61.98 63.36 1jxl s VAL 183 Cb 0.14 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 1jxl s VAL 183 CO 0.21 0.24 1.07 -2.65 0.00 0.00 0.00 175.10 173.96 1jxl n PRO 184 N 3.90 0.96 -0.40 2.72 -0.02 -1.26 -1.22 135.00 139.68 1jxl n PRO 184 Ca -0.01 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1jxl n PRO 184 Cb 0.51 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1jxl n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jxl n GLY 185 N 1.89 0.90 3.19 -1.23 0.00 -1.26 -5.00 105.19 103.68 1jxl n GLY 185 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1jxl n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jxl s ILE 186 N -2.90 3.97 0.01 -0.61 -1.09 -0.35 -4.98 121.20 115.25 1jxl s ILE 186 Ca 0.00 -1.81 0.00 0.00 -2.23 0.00 0.00 60.65 56.61 1jxl s ILE 186 Cb 0.00 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1jxl s ILE 186 CO 0.00 -0.72 0.02 0.61 -1.23 0.00 0.00 174.94 173.61 1jxl n GLY 187 N 4.83 1.34 0.22 6.18 0.00 -1.26 -4.74 105.19 111.76 1jxl n GLY 187 Ca -0.07 -2.04 -0.00 0.00 0.00 0.00 0.00 46.02 43.91 1jxl n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jxl h ASN 188 N -0.00 -0.06 -0.61 1.61 4.21 -1.97 0.13 115.58 118.89 1jxl h ASN 188 Ca -0.01 0.11 -0.09 0.00 1.21 0.00 0.00 56.30 57.53 1jxl h ASN 188 Cb 0.02 0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1jxl h ASN 188 CO 0.01 -0.02 0.04 0.40 -1.29 0.00 0.00 177.43 176.57 1jxl h ILE 189 N 0.21 1.26 0.00 2.81 2.04 -2.00 -1.80 117.51 120.04 1jxl h ILE 189 Ca 0.29 -1.09 -0.26 0.00 1.00 0.00 0.00 64.86 64.80 1jxl h ILE 189 Cb 0.44 0.74 0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1jxl h ILE 189 CO -0.41 0.40 -1.03 0.74 0.00 0.00 0.00 178.15 177.86 1jxl h THR 190 N 0.98 1.31 -0.77 -0.27 2.02 -1.81 -2.43 112.91 111.93 1jxl h THR 190 Ca 0.18 -2.30 0.09 0.00 0.77 0.00 0.00 66.41 65.15 1jxl h THR 190 Cb 0.50 2.40 -0.07 0.00 -1.74 0.00 0.00 68.15 69.24 1jxl h THR 190 CO 0.02 0.71 0.43 0.00 0.37 0.00 0.00 175.52 177.05 1jxl h ALA 191 N 0.48 1.08 -0.45 6.16 0.00 -0.68 -0.97 119.26 124.88 1jxl h ALA 191 Ca -0.12 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1jxl h ALA 191 Cb 1.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1jxl h ALA 191 CO 0.20 0.06 -0.28 1.49 0.00 0.00 0.00 179.25 180.72 1jxl h GLU 192 N 0.73 0.98 0.00 0.00 4.57 -1.32 -0.39 114.58 119.15 1jxl h GLU 192 Ca 0.37 -0.45 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1jxl h GLU 192 Cb 0.32 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1jxl h GLU 192 CO -0.24 1.12 -0.24 0.87 -1.18 0.00 0.00 179.01 179.35 1jxl h LYS 193 N 0.83 0.00 0.00 1.92 1.57 -0.98 -2.42 116.57 117.49 1jxl h LYS 193 Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1jxl h LYS 193 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1jxl h LYS 193 CO 0.08 0.24 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.55 1jxl h LEU 194 N 0.00 0.00 -0.54 2.94 3.38 -0.72 -2.97 115.31 117.40 1jxl h LEU 194 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jxl h LEU 194 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1jxl h LEU 194 CO 0.03 0.28 -0.52 0.50 0.09 0.00 0.00 178.44 178.82 1jxl h LYS 195 N 0.00 0.00 0.00 1.13 3.64 -0.64 -0.85 116.57 119.85 1jxl h LYS 195 Ca -0.03 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1jxl h LYS 195 Cb 1.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1jxl h LYS 195 CO 0.03 0.52 -0.84 0.87 -2.27 0.00 0.00 179.45 177.76 1jxl h LYS 196 N 0.00 0.00 -0.01 1.90 1.57 -1.43 -2.91 116.57 115.69 1jxl h LYS 196 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jxl h LYS 196 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1jxl h LYS 196 CO 0.07 0.84 -0.04 1.28 -0.57 0.00 0.00 179.45 181.03 1jxl n LEU 197 N -3.49 1.08 0.00 2.94 4.77 -1.12 -4.91 117.00 116.26 1jxl n LEU 197 Ca -0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1jxl n LEU 197 Cb 0.82 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1jxl n LEU 197 CO 0.45 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1jxl n GLY 198 N 1.17 3.09 3.67 -0.72 0.00 -1.10 -5.04 105.19 106.27 1jxl n GLY 198 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1jxl n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jxl s ILE 199 N -2.87 3.08 0.00 -0.61 1.01 -0.34 -4.82 121.20 116.65 1jxl s ILE 199 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1jxl s ILE 199 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1jxl s ILE 199 CO 0.00 -0.02 0.00 0.59 0.00 0.00 0.00 174.94 175.51 1jxl n ASN 200 N 6.49 0.05 -3.99 3.58 3.02 -1.26 -3.63 115.26 119.51 1jxl n ASN 200 Ca 0.18 -0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.41 1jxl n ASN 200 Cb 0.41 0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.94 1jxl n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jxl s LYS 201 N -0.48 0.48 0.22 3.52 -0.14 -1.26 -1.68 119.74 120.40 1jxl s LYS 201 Ca 0.00 -0.83 -0.08 0.00 -1.36 0.00 0.00 55.97 53.70 1jxl s LYS 201 Cb 0.00 0.18 0.32 0.00 -1.68 0.00 0.00 37.83 36.65 1jxl s LYS 201 CO 0.00 -0.10 1.73 -0.07 -0.76 0.00 0.00 175.35 176.15 1jxl h LEU 202 N 3.91 0.18 -2.01 3.17 3.38 -1.71 -1.45 115.31 120.78 1jxl h LEU 202 Ca -0.33 0.09 0.15 0.00 0.09 0.00 0.00 57.88 57.89 1jxl h LEU 202 Cb 1.18 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1jxl h LEU 202 CO 0.51 0.10 0.40 1.62 0.09 0.00 0.00 178.44 181.16 1jxl h VAL 203 N 0.38 0.64 0.00 1.22 3.04 -1.26 -1.12 116.25 119.15 1jxl h VAL 203 Ca 0.33 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1jxl h VAL 203 Cb 0.46 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1jxl h VAL 203 CO -0.35 0.00 -0.01 0.44 -1.01 0.00 0.00 177.57 176.64 1jxl h ASP 204 N 0.00 0.00 1.24 3.17 3.32 -1.55 -2.11 116.42 120.48 1jxl h ASP 204 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1jxl h ASP 204 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1jxl h ASP 204 CO -0.00 0.01 0.00 0.71 -1.72 0.00 0.00 179.24 178.24 1jxl h THR 205 N 0.00 0.00 0.00 0.35 1.35 -1.34 -3.09 112.91 110.18 1jxl h THR 205 Ca -0.00 -0.61 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 1jxl h THR 205 Cb 0.20 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1jxl h THR 205 CO 0.00 0.00 -0.40 -0.07 -0.25 0.00 0.00 175.52 174.80 1jxl h LEU 206 N 0.00 0.00 0.00 3.87 3.38 -1.55 -3.31 115.31 117.70 1jxl h LEU 206 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jxl h LEU 206 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jxl h LEU 206 CO 0.00 0.40 -1.33 -1.54 0.09 0.00 0.00 178.44 176.06 1jxl n SER 207 N -3.49 0.50 -4.83 -0.43 3.41 -1.17 -4.95 113.62 102.67 1jxl n SER 207 Ca 0.00 -0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.06 1jxl n SER 207 Cb 0.54 1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 65.61 1jxl n SER 207 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1jxl s ILE 208 N -3.28 4.43 0.30 -1.33 2.07 -1.23 -5.00 121.20 117.16 1jxl s ILE 208 Ca 0.00 1.41 -0.30 0.00 -1.41 0.00 0.00 60.65 60.36 1jxl s ILE 208 Cb 0.14 -3.63 -0.11 0.00 0.13 0.00 0.00 42.46 38.99 1jxl s ILE 208 CO 0.85 -0.40 1.54 -0.70 -1.91 0.00 0.00 174.94 174.32 1jxl s GLU 209 N -3.37 4.15 0.20 3.50 2.12 -1.26 -4.90 118.70 119.13 1jxl s GLU 209 Ca 0.61 2.53 -0.09 0.00 0.36 0.00 0.00 54.97 58.38 1jxl s GLU 209 Cb -0.09 -3.03 0.12 0.00 0.26 0.00 0.00 34.13 31.39 1jxl s GLU 209 CO 0.17 -0.57 1.73 0.35 -0.54 0.00 0.00 175.26 176.40 1jxl h PHE 210 N 4.49 1.17 0.00 5.30 3.57 -1.94 -2.50 116.94 127.03 1jxl h PHE 210 Ca -0.48 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 60.89 1jxl h PHE 210 Cb 1.22 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1jxl h PHE 210 CO 0.58 0.93 -0.06 -0.44 -2.23 0.00 0.00 178.31 177.09 1jxl h ASP 211 N 1.06 0.00 -0.08 0.41 3.32 -1.98 0.22 116.42 119.37 1jxl h ASP 211 Ca 0.23 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 1jxl h ASP 211 Cb 0.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jxl h ASP 211 CO -0.00 0.06 -0.73 0.11 -1.72 0.00 0.00 179.24 176.95 1jxl h LYS 212 N 0.00 0.64 0.13 3.56 1.57 -1.84 -0.66 116.57 119.98 1jxl h LYS 212 Ca -0.00 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 1jxl h LYS 212 Cb 0.48 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1jxl h LYS 212 CO 0.01 1.19 -0.06 1.25 -0.57 0.00 0.00 179.45 181.27 1jxl h LEU 213 N 0.29 -0.15 -0.88 2.94 5.85 -1.03 -2.93 115.31 119.40 1jxl h LEU 213 Ca -0.07 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.48 1jxl h LEU 213 Cb 1.38 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 1jxl h LEU 213 CO 0.15 0.19 0.53 0.50 -0.34 0.00 0.00 178.44 179.48 1jxl h LYS 214 N -0.52 0.88 0.00 1.25 3.64 -0.63 -1.32 116.57 119.87 1jxl h LYS 214 Ca -0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1jxl h LYS 214 Cb 0.41 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1jxl h LYS 214 CO 0.03 0.58 -0.17 0.78 -2.27 0.00 0.00 179.45 178.40 1jxl h GLY 215 N 0.91 0.00 0.68 5.01 0.00 -1.08 0.16 103.07 108.75 1jxl h GLY 215 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.41 1jxl h GLY 215 CO -0.23 0.00 -1.93 -0.13 0.00 0.00 0.00 176.54 174.25 1jxl n MET 216 N -3.74 0.68 0.00 4.80 0.00 -0.59 -4.62 117.12 113.64 1jxl n MET 216 Ca -0.02 0.24 0.00 0.00 -0.00 0.00 0.00 57.70 57.93 1jxl n MET 216 Cb 0.28 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.78 1jxl n MET 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1jxl n ILE 217 N -3.18 0.03 0.00 1.12 -5.35 -0.65 -5.03 119.36 106.29 1jxl n ILE 217 Ca -0.26 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1jxl n ILE 217 Cb 1.06 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 40.11 1jxl n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jxl n GLY 218 N -0.01 0.09 0.20 3.28 0.00 0.56 -4.47 105.19 104.84 1jxl n GLY 218 Ca 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 1jxl n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jxl h GLU 219 N 0.00 0.17 -0.24 1.61 4.81 -1.91 -1.49 114.58 117.53 1jxl h GLU 219 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1jxl h GLU 219 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1jxl h GLU 219 CO 0.00 0.11 -0.02 0.00 -0.73 0.00 0.00 179.01 178.37 1jxl h ALA 220 N 1.41 0.33 -0.06 2.92 0.00 -1.96 -0.35 119.26 121.55 1jxl h ALA 220 Ca 0.25 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1jxl h ALA 220 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jxl h ALA 220 CO -0.37 0.08 -0.44 -0.22 0.00 0.00 0.00 179.25 178.30 1jxl h LYS 221 N 0.20 0.14 -0.13 0.00 3.64 -1.77 -0.49 116.57 118.15 1jxl h LYS 221 Ca 0.07 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1jxl h LYS 221 Cb 0.45 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1jxl h LYS 221 CO 0.02 0.56 -0.07 0.00 -2.27 0.00 0.00 179.45 177.68 1jxl h ALA 222 N 1.43 0.19 -0.89 5.00 0.00 -1.13 -1.56 119.26 122.30 1jxl h ALA 222 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jxl h ALA 222 Cb 0.83 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1jxl h ALA 222 CO 0.06 -0.01 0.59 0.87 0.00 0.00 0.00 179.25 180.76 1jxl h LYS 223 N -0.06 1.12 0.50 0.00 1.57 -0.89 -0.53 116.57 118.28 1jxl h LYS 223 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1jxl h LYS 223 Cb 0.55 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jxl h LYS 223 CO 0.02 0.74 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.48 1jxl h TYR 224 N 1.16 -0.62 -0.44 -1.35 3.20 -0.98 0.19 116.97 118.13 1jxl h TYR 224 Ca 0.34 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.20 1jxl h TYR 224 Cb -0.05 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1jxl h TYR 224 CO -0.00 -0.35 0.29 -0.07 -1.64 0.00 0.00 178.16 176.39 1jxl h LEU 225 N -0.75 0.49 -0.66 2.82 3.38 -1.08 -0.97 115.31 118.54 1jxl h LEU 225 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jxl h LEU 225 Cb 0.55 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1jxl h LEU 225 CO 0.11 0.36 0.36 0.40 0.09 0.00 0.00 178.44 179.76 1jxl h ILE 226 N 0.59 1.21 -0.86 1.22 2.04 -0.98 0.56 117.51 121.28 1jxl h ILE 226 Ca 0.16 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1jxl h ILE 226 Cb -0.06 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1jxl h ILE 226 CO -0.04 0.23 0.48 0.77 0.00 0.00 0.00 178.15 179.59 1jxl h SER 227 N 0.90 1.05 -0.55 1.72 4.64 -0.25 0.16 113.55 121.23 1jxl h SER 227 Ca 0.23 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 1jxl h SER 227 Cb 0.04 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1jxl h SER 227 CO -0.04 0.83 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.59 1jxl h LEU 228 N 1.19 1.03 -0.95 5.97 3.38 -0.64 0.46 115.31 125.74 1jxl h LEU 228 Ca 0.30 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1jxl h LEU 228 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jxl h LEU 228 CO -0.05 1.13 -0.25 0.00 0.09 0.00 0.00 178.44 179.36 1jxl h ALA 229 N 0.93 1.12 0.00 1.53 0.00 0.67 -1.37 119.26 122.13 1jxl h ALA 229 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jxl h ALA 229 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jxl h ALA 229 CO 0.05 0.55 0.00 0.54 0.00 0.00 0.00 179.25 180.39 1jxl n ARG 230 N -4.13 0.85 -2.94 0.00 1.74 0.41 -4.85 116.66 107.75 1jxl n ARG 230 Ca -0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 1jxl n ARG 230 Cb 0.40 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1jxl n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jxl n ASP 231 N -0.98 -5.60 -0.19 0.55 -0.08 -0.52 -4.89 116.55 104.84 1jxl n ASP 231 Ca 0.19 -0.23 0.07 0.00 -1.51 0.00 0.00 54.79 53.32 1jxl n ASP 231 Cb 0.09 -4.57 0.13 0.00 2.34 0.00 0.00 41.12 39.11 1jxl n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jxl n GLU 232 N -3.76 1.97 -1.91 -0.67 1.02 0.12 -5.04 120.64 112.36 1jxl n GLU 232 Ca -0.12 -2.35 -0.42 0.00 -0.02 0.00 0.00 57.16 54.24 1jxl n GLU 232 Cb 0.62 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 1jxl n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1jxl s TYR 233 N -2.36 1.75 -0.30 -0.32 5.04 -1.00 -4.88 117.35 115.28 1jxl s TYR 233 Ca 0.26 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1jxl s TYR 233 Cb 0.22 -4.01 0.09 0.00 0.35 0.00 0.00 41.96 38.61 1jxl s TYR 233 CO 0.04 -4.01 0.07 1.21 -1.34 0.00 0.00 175.55 171.52 1jxl s ASN 234 N 4.46 4.08 -0.15 4.32 3.84 -1.26 -4.91 114.94 125.32 1jxl s ASN 234 Ca 0.80 -1.64 -0.04 0.00 0.21 0.00 0.00 52.86 52.19 1jxl s ASN 234 Cb -0.33 -1.02 0.05 0.00 -0.55 0.00 0.00 41.25 39.40 1jxl s ASN 234 CO 0.33 -0.38 0.06 -1.61 -2.79 0.00 0.00 177.10 172.71 1jxl s GLU 235 N 1.47 0.26 0.60 0.43 0.41 -1.26 -5.15 118.70 115.47 1jxl s GLU 235 Ca 0.08 -0.10 -0.18 0.00 -0.41 0.00 0.00 54.97 54.36 1jxl s GLU 235 Cb -0.18 -1.66 -0.03 0.00 -1.78 0.00 0.00 34.13 30.48 1jxl s GLU 235 CO -0.19 -0.58 1.16 -1.25 -0.49 0.00 0.00 175.26 173.91 1jxl s PRO 236 N 2.05 2.97 -0.11 0.39 0.04 -1.26 -4.71 135.00 134.37 1jxl s PRO 236 Ca 0.02 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1jxl s PRO 236 Cb -0.15 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1jxl s PRO 236 CO -0.08 -1.17 1.32 0.42 0.04 0.00 0.00 177.00 177.53 1jxl s ILE 237 N -1.84 4.11 0.02 0.56 1.09 -1.26 -4.99 121.20 118.89 1jxl s ILE 237 Ca 0.74 1.39 0.08 0.00 -1.10 0.00 0.00 60.65 61.75 1jxl s ILE 237 Cb -0.26 -3.90 -0.02 0.00 -1.06 0.00 0.00 42.46 37.22 1jxl s ILE 237 CO 0.34 -0.08 -0.23 0.00 -0.10 0.00 0.00 174.94 174.87 1jxl s ARG 238 N 3.16 1.67 0.09 2.79 1.70 -1.26 -4.82 118.95 122.28 1jxl s ARG 238 Ca 0.58 -0.93 -0.31 0.00 -0.47 0.00 0.00 55.73 54.61 1jxl s ARG 238 Cb -0.25 -1.73 -0.10 0.00 -0.57 0.00 0.00 34.95 32.30 1jxl s ARG 238 CO 0.20 0.46 1.86 0.99 -1.08 0.00 0.00 175.30 177.73 1jxl s THR 239 N -0.69 2.71 -0.15 4.99 2.01 -1.26 -4.32 115.64 118.93 1jxl s THR 239 Ca 0.09 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 1jxl s THR 239 Cb -0.09 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1jxl s THR 239 CO 0.01 -0.00 0.10 -0.13 -0.69 0.00 0.00 174.62 173.91 1jxl s ARG 240 N 3.28 3.74 -0.11 4.92 0.52 -1.26 -5.04 118.95 124.99 1jxl s ARG 240 Ca 0.83 -0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1jxl s ARG 240 Cb -0.45 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 1jxl s ARG 240 CO 0.38 0.51 -0.09 0.08 0.02 0.00 0.00 175.30 176.19 1jxl s VAL 241 N -0.26 3.44 0.15 3.52 1.01 -1.26 -4.86 120.40 122.14 1jxl s VAL 241 Ca 0.10 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1jxl s VAL 241 Cb -0.12 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.72 1jxl s VAL 241 CO 0.01 0.55 1.80 -0.60 0.00 0.00 0.00 175.10 176.86 1jxl s ARG 242 N -0.14 4.13 -0.04 2.72 3.52 -1.26 -4.86 118.95 123.02 1jxl s ARG 242 Ca 0.01 2.61 0.21 0.00 -0.13 0.00 0.00 55.73 58.43 1jxl s ARG 242 Cb -0.13 -3.42 -0.32 0.00 -1.56 0.00 0.00 34.95 29.52 1jxl s ARG 242 CO 0.03 -0.82 0.43 1.63 -0.81 0.00 0.00 175.30 175.76 1jxl n LYS 243 N 5.12 0.64 -3.73 5.12 5.02 -1.26 -5.00 118.16 124.07 1jxl n LYS 243 Ca 0.17 -0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1jxl n LYS 243 Cb 0.37 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1jxl n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1jxl s SER 244 N -4.45 -0.24 -0.01 4.39 1.04 -1.26 -3.95 113.70 109.22 1jxl s SER 244 Ca -0.08 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1jxl s SER 244 Cb 0.13 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1jxl s SER 244 CO 0.86 -0.50 -0.00 -0.63 0.98 0.00 0.00 173.24 173.94 1jxl s ILE 245 N -1.56 0.09 0.28 -1.02 1.01 -0.61 -4.98 121.20 114.41 1jxl s ILE 245 Ca -0.12 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1jxl s ILE 245 Cb -0.04 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.37 1jxl s ILE 245 CO 0.03 0.06 0.94 -0.83 0.00 0.00 0.00 174.94 175.14 1jxl s GLY 246 N 0.35 0.27 -0.19 6.18 0.00 -1.26 -0.63 107.32 112.04 1jxl s GLY 246 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 1jxl s GLY 246 CO -0.01 1.42 0.47 -1.60 0.00 0.00 0.00 173.10 173.38 1jxl s ARG 247 N -2.08 0.47 -0.06 2.90 6.06 -0.60 -4.88 118.95 120.76 1jxl s ARG 247 Ca 0.20 0.84 0.03 0.00 -2.50 0.00 0.00 55.73 54.30 1jxl s ARG 247 Cb -0.04 0.05 0.01 0.00 0.06 0.00 0.00 34.95 35.03 1jxl s ARG 247 CO 0.08 -0.14 -0.14 0.42 -2.50 0.00 0.00 175.30 173.02 1jxl s ILE 248 N 1.25 1.23 0.21 4.11 1.01 -1.26 -1.22 121.20 126.53 1jxl s ILE 248 Ca -0.08 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.12 1jxl s ILE 248 Cb -0.07 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1jxl s ILE 248 CO -0.12 0.37 -0.20 0.68 0.00 0.00 0.00 174.94 175.67 1jxl s VAL 249 N 0.42 2.56 0.00 2.92 -7.23 -0.44 -4.93 120.40 113.70 1jxl s VAL 249 Ca -0.11 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 57.87 1jxl s VAL 249 Cb -0.14 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 1jxl s VAL 249 CO 0.03 -0.18 0.42 -0.89 -0.31 0.00 0.00 175.10 174.17 1jxl s THR 250 N -1.87 5.02 0.52 5.32 2.01 -1.26 -1.15 115.64 124.22 1jxl s THR 250 Ca 0.24 0.87 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 1jxl s THR 250 Cb -0.07 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1jxl s THR 250 CO 0.12 0.57 0.82 -0.04 -0.69 0.00 0.00 174.62 175.40 1jxl s MET 251 N -1.02 3.24 0.33 4.92 -1.94 -0.60 -4.97 119.30 119.26 1jxl s MET 251 Ca 0.24 0.04 0.02 0.00 -1.71 0.00 0.00 55.69 54.28 1jxl s MET 251 Cb -0.17 -2.36 0.56 0.00 2.01 0.00 0.00 34.83 34.87 1jxl s MET 251 CO 0.14 -0.41 1.91 -0.22 -0.01 0.00 0.00 175.02 176.43 1jxl h LYS 252 N 0.09 0.74 -3.51 2.03 1.63 -1.89 -3.44 116.57 112.20 1jxl h LYS 252 Ca -0.46 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.12 1jxl h LYS 252 Cb 1.23 -0.13 -0.18 0.00 -0.60 0.00 0.00 32.23 32.55 1jxl h LYS 252 CO 0.61 0.61 -0.40 -0.98 -3.45 0.00 0.00 179.45 175.84 1jxl s ARG 253 N -5.34 0.66 0.51 1.90 1.70 -1.26 -4.84 118.95 112.29 1jxl s ARG 253 Ca -0.09 -0.57 -0.22 0.00 -0.47 0.00 0.00 55.73 54.38 1jxl s ARG 253 Cb 0.16 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 1jxl s ARG 253 CO 0.78 -0.19 1.28 -0.80 -1.08 0.00 0.00 175.30 175.29 1jxl s ASN 254 N -1.94 5.61 0.23 -2.89 0.01 -1.26 -4.92 114.94 109.77 1jxl s ASN 254 Ca -0.07 2.59 -0.18 0.00 -0.71 0.00 0.00 52.86 54.49 1jxl s ASN 254 Cb -0.02 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1jxl s ASN 254 CO -0.03 -1.33 0.58 -0.55 -1.51 0.00 0.00 177.10 174.27 1jxl s SER 255 N -1.11 -0.26 0.00 -1.22 0.15 -0.43 -4.93 113.70 105.90 1jxl s SER 255 Ca 0.69 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1jxl s SER 255 Cb -0.36 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1jxl s SER 255 CO 0.43 -1.15 0.04 0.54 1.20 0.00 0.00 173.24 174.29 1jxl n ARG 256 N -0.39 -0.02 -2.63 5.44 1.74 -1.26 -1.01 116.66 118.53 1jxl n ARG 256 Ca -0.07 -0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 1jxl n ARG 256 Cb 0.61 -0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.52 1jxl n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jxl s ASN 257 N -0.00 6.90 0.14 0.55 3.84 -1.26 -4.94 114.94 120.17 1jxl s ASN 257 Ca 0.00 1.02 -0.20 0.00 0.21 0.00 0.00 52.86 53.90 1jxl s ASN 257 Cb 0.00 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1jxl s ASN 257 CO 0.00 -0.91 1.68 0.25 -2.79 0.00 0.00 177.10 175.33 1jxl h LEU 258 N 10.19 -0.34 -1.90 3.21 5.85 -1.99 -0.86 115.31 129.46 1jxl h LEU 258 Ca -0.21 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1jxl h LEU 258 Cb 1.06 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1jxl h LEU 258 CO 1.04 -0.13 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.57 1jxl h GLU 259 N -0.05 0.00 0.17 1.25 4.39 -2.01 -1.00 114.58 117.33 1jxl h GLU 259 Ca 0.13 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.52 1jxl h GLU 259 Cb 0.25 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1jxl h GLU 259 CO -0.29 0.11 -1.32 1.49 -1.16 0.00 0.00 179.01 177.84 1jxl h GLU 260 N 0.00 0.53 -0.01 2.33 4.81 -1.75 -3.30 114.58 117.19 1jxl h GLU 260 Ca -0.00 -0.79 -0.15 0.00 -0.13 0.00 0.00 59.36 58.28 1jxl h GLU 260 Cb 0.35 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1jxl h GLU 260 CO 0.01 1.37 -0.71 0.82 -0.73 0.00 0.00 179.01 179.77 1jxl h ILE 261 N 0.20 1.50 -0.72 2.32 2.04 -0.77 -3.37 117.51 118.71 1jxl h ILE 261 Ca -0.20 -2.41 0.15 0.00 1.00 0.00 0.00 64.86 63.40 1jxl h ILE 261 Cb 2.00 2.30 -0.13 0.00 -0.74 0.00 0.00 36.82 40.25 1jxl h ILE 261 CO 0.24 0.69 -0.14 0.11 0.00 0.00 0.00 178.15 179.06 1jxl h LYS 262 N 0.02 0.02 0.00 2.37 1.57 -1.27 -1.10 116.57 118.18 1jxl h LYS 262 Ca -0.01 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1jxl h LYS 262 Cb 1.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1jxl h LYS 262 CO 0.10 0.01 -0.10 -1.35 -0.57 0.00 0.00 179.45 177.54 1jxl h PRO 263 N 0.02 0.00 -0.17 3.15 0.11 -1.77 0.30 132.00 133.64 1jxl h PRO 263 Ca 0.36 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.32 1jxl h PRO 263 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1jxl h PRO 263 CO -0.71 0.10 -0.46 1.88 -0.21 0.00 0.00 178.00 178.60 1jxl h TYR 264 N 0.00 0.78 -0.73 0.65 0.05 -1.46 -1.06 116.97 115.20 1jxl h TYR 264 Ca -0.00 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.47 1jxl h TYR 264 Cb 0.20 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1jxl h TYR 264 CO 0.00 1.08 0.43 1.25 -1.05 0.00 0.00 178.16 179.87 1jxl h LEU 265 N 0.27 0.89 -0.59 3.88 5.85 -0.93 -0.59 115.31 124.10 1jxl h LEU 265 Ca -0.01 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 1jxl h LEU 265 Cb 1.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1jxl h LEU 265 CO 0.10 0.70 -0.27 -0.26 -0.34 0.00 0.00 178.44 178.36 1jxl h PHE 266 N 1.00 0.96 -0.63 1.25 0.04 -0.91 -1.32 116.94 117.34 1jxl h PHE 266 Ca 0.26 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1jxl h PHE 266 Cb -0.02 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1jxl h PHE 266 CO -0.01 1.01 0.19 -0.09 -0.60 0.00 0.00 178.31 178.81 1jxl h ARG 267 N 0.71 0.98 -0.60 1.51 2.43 -0.79 0.24 114.38 118.86 1jxl h ARG 267 Ca 0.08 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1jxl h ARG 267 Cb 0.82 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1jxl h ARG 267 CO 0.07 0.87 0.38 0.00 -1.51 0.00 0.00 179.97 179.78 1jxl h ALA 268 N 1.07 1.54 -0.15 2.80 0.00 -0.67 0.25 119.26 124.10 1jxl h ALA 268 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1jxl h ALA 268 Cb 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jxl h ALA 268 CO -0.00 0.41 -0.14 0.82 0.00 0.00 0.00 179.25 180.34 1jxl h ILE 269 N 0.82 1.34 0.09 0.00 2.04 -0.51 0.99 117.51 122.29 1jxl h ILE 269 Ca 0.22 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1jxl h ILE 269 Cb -0.07 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1jxl h ILE 269 CO -0.04 0.38 -0.20 -0.33 0.00 0.00 0.00 178.15 177.96 1jxl h GLU 270 N -0.00 -0.35 -0.82 2.37 4.39 0.66 0.12 114.58 120.95 1jxl h GLU 270 Ca 0.02 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1jxl h GLU 270 Cb 0.67 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1jxl h GLU 270 CO 0.04 -0.24 0.52 0.93 -1.16 0.00 0.00 179.01 179.10 1jxl h GLU 271 N -0.37 0.98 -0.93 2.33 5.08 -0.51 -2.08 114.58 119.08 1jxl h GLU 271 Ca 0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1jxl h GLU 271 Cb 0.40 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1jxl h GLU 271 CO -0.12 0.65 0.61 0.77 -1.00 0.00 0.00 179.01 179.92 1jxl h SER 272 N 1.01 1.07 0.04 1.42 0.02 -0.19 -1.73 113.55 115.19 1jxl h SER 272 Ca 0.33 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1jxl h SER 272 Cb 0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1jxl h SER 272 CO -0.12 0.78 -0.38 1.88 -1.14 0.00 0.00 176.83 177.85 1jxl h TYR 273 N 1.26 0.54 -0.54 3.45 0.05 -0.15 -1.15 116.97 120.42 1jxl h TYR 273 Ca 0.34 -0.15 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 1jxl h TYR 273 Cb -0.14 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1jxl h TYR 273 CO -0.01 0.78 0.20 -0.92 -1.05 0.00 0.00 178.16 177.16 1jxl h TYR 274 N 0.38 0.85 -0.05 4.88 3.20 -1.12 -2.90 116.97 122.21 1jxl h TYR 274 Ca 0.04 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 1jxl h TYR 274 Cb 0.85 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1jxl h TYR 274 CO 0.03 0.71 -0.40 0.87 -1.64 0.00 0.00 178.16 177.73 1jxl h LYS 275 N 0.75 0.11 0.00 1.82 1.57 -0.96 -3.08 116.57 116.78 1jxl h LYS 275 Ca 0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1jxl h LYS 275 Cb 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jxl h LYS 275 CO -0.01 0.49 0.00 1.28 -0.57 0.00 0.00 179.45 180.64 1jxl n LEU 276 N -4.05 0.00 0.00 2.94 4.77 -0.47 -4.86 117.00 115.34 1jxl n LEU 276 Ca -0.02 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1jxl n LEU 276 Cb 0.45 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1jxl n LEU 276 CO 0.40 -0.27 0.00 -0.67 -1.33 0.00 0.00 177.39 175.52 1jxl n ASP 277 N -1.29 0.00 0.00 -1.43 -0.08 -1.17 0.10 116.55 112.69 1jxl n ASP 277 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1jxl n ASP 277 Cb 0.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1jxl n ASP 277 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1jxl n LYS 278 N 0.00 0.00 -2.52 -0.67 4.76 -1.26 -5.05 118.16 113.42 1jxl n LYS 278 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1jxl n LYS 278 Cb 0.00 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.50 1jxl n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jxl s ARG 279 N 0.00 4.56 -0.26 1.97 0.52 0.12 -5.02 118.95 120.83 1jxl s ARG 279 Ca 0.00 1.70 -0.05 0.00 -0.52 0.00 0.00 55.73 56.85 1jxl s ARG 279 Cb 0.00 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 1jxl s ARG 279 CO 0.00 0.00 0.02 0.42 0.02 0.00 0.00 175.30 175.76 1jxl s ILE 280 N 0.14 3.71 0.43 1.52 -1.09 -1.26 -4.89 121.20 119.76 1jxl s ILE 280 Ca 0.51 -0.59 -0.17 0.00 -2.23 0.00 0.00 60.65 58.18 1jxl s ILE 280 Cb -0.29 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.69 1jxl s ILE 280 CO 0.33 0.24 0.89 -2.16 -1.23 0.00 0.00 174.94 173.01 1jxl s PRO 281 N 1.49 4.02 -0.00 2.79 0.04 -1.26 -0.99 135.00 141.09 1jxl s PRO 281 Ca 0.04 0.87 0.14 0.00 0.04 0.00 0.00 61.00 62.09 1jxl s PRO 281 Cb -0.16 -2.25 -0.16 0.00 0.04 0.00 0.00 34.50 31.98 1jxl s PRO 281 CO 0.00 -0.07 0.57 1.63 0.04 0.00 0.00 177.00 179.17 1jxl n LYS 282 N -1.00 2.28 -4.61 4.56 5.02 -0.69 0.21 118.16 123.93 1jxl n LYS 282 Ca 0.05 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 1jxl n LYS 282 Cb 0.54 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 34.24 1jxl n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jxl s ALA 283 N -2.36 1.35 0.00 7.82 0.00 -0.89 0.14 121.76 127.83 1jxl s ALA 283 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1jxl s ALA 283 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1jxl s ALA 283 CO 0.57 0.31 -0.09 -1.50 0.00 0.00 0.00 175.76 175.05 1jxl s ILE 284 N -0.58 0.72 -0.04 0.00 2.07 -0.63 -1.10 121.20 121.63 1jxl s ILE 284 Ca 0.05 -0.49 0.02 0.00 -1.41 0.00 0.00 60.65 58.82 1jxl s ILE 284 Cb -0.07 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.91 1jxl s ILE 284 CO 0.00 0.13 -0.10 -1.00 -1.91 0.00 0.00 174.94 172.06 1jxl s HIS 285 N -0.37 1.15 -0.15 3.50 3.76 0.20 -1.11 115.29 122.27 1jxl s HIS 285 Ca 0.02 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1jxl s HIS 285 Cb -0.04 -0.84 -0.05 0.00 1.11 0.00 0.00 32.58 32.76 1jxl s HIS 285 CO -0.00 -0.16 0.32 0.08 -0.85 0.00 0.00 174.74 174.13 1jxl s VAL 286 N 0.38 5.28 -0.12 -0.90 1.01 0.13 -0.75 120.40 125.43 1jxl s VAL 286 Ca -0.07 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1jxl s VAL 286 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1jxl s VAL 286 CO 0.01 0.39 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 1jxl s VAL 287 N 0.41 2.03 0.03 2.92 1.01 0.33 -1.63 120.40 125.50 1jxl s VAL 287 Ca 0.18 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1jxl s VAL 287 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1jxl s VAL 287 CO 0.05 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.49 1jxl s ALA 288 N 0.64 2.48 -0.20 5.51 0.00 -0.04 -0.05 121.76 130.10 1jxl s ALA 288 Ca -0.12 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1jxl s ALA 288 Cb -0.16 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1jxl s ALA 288 CO 0.02 0.56 -0.12 0.08 0.00 0.00 0.00 175.76 176.30 1jxl s VAL 289 N -0.86 2.67 0.82 0.00 1.01 0.24 -0.50 120.40 123.79 1jxl s VAL 289 Ca 0.13 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1jxl s VAL 289 Cb -0.10 -2.19 0.09 0.00 0.00 0.00 0.00 36.38 34.18 1jxl s VAL 289 CO 0.04 0.47 1.12 0.42 0.00 0.00 0.00 175.10 177.15 1jxl s THR 290 N 1.37 2.64 0.39 3.92 -4.23 -0.22 -0.57 115.64 118.94 1jxl s THR 290 Ca 0.05 0.21 0.15 0.00 -1.18 0.00 0.00 61.69 60.92 1jxl s THR 290 Cb -0.14 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.05 1jxl s THR 290 CO -0.08 -0.27 1.84 1.05 -0.54 0.00 0.00 174.62 176.61 1jxl h GLU 291 N -1.16 0.48 -1.03 3.99 4.11 -1.31 -0.20 114.58 119.47 1jxl h GLU 291 Ca -0.48 -0.03 -0.32 0.00 0.07 0.00 0.00 59.36 58.61 1jxl h GLU 291 Cb 1.29 -0.11 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 1jxl h GLU 291 CO 0.62 0.32 0.40 -0.40 0.07 0.00 0.00 179.01 180.02 1jxl n ASP 292 N -4.56 3.68 -1.57 3.06 5.75 -1.26 -4.89 116.55 116.76 1jxl n ASP 292 Ca 0.20 -2.98 -0.17 0.00 -0.01 0.00 0.00 54.79 51.83 1jxl n ASP 292 Cb 0.67 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 1jxl n ASP 292 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jxl n LEU 293 N -0.45 -1.27 -4.87 -2.12 4.77 -0.08 -5.02 117.00 107.96 1jxl n LEU 293 Ca 0.36 0.40 -0.31 0.00 -0.03 0.00 0.00 56.01 56.43 1jxl n LEU 293 Cb 1.16 -2.45 -0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1jxl n LEU 293 CO 0.37 -0.84 0.68 -1.81 -1.33 0.00 0.00 177.39 174.46 1jxl s ASP 294 N -2.41 6.32 -0.20 -1.43 1.11 -1.26 -4.79 116.67 114.00 1jxl s ASP 294 Ca 0.00 1.39 -0.02 0.00 0.18 0.00 0.00 52.55 54.10 1jxl s ASP 294 Cb 0.00 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1jxl s ASP 294 CO 0.00 -0.77 -0.10 -0.63 1.18 0.00 0.00 175.17 174.85 1jxl s ILE 295 N -3.01 2.90 -0.05 0.77 1.01 -1.26 -1.05 121.20 120.50 1jxl s ILE 295 Ca 0.55 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.58 1jxl s ILE 295 Cb -0.11 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1jxl s ILE 295 CO 0.48 0.47 -0.14 -0.69 0.00 0.00 0.00 174.94 175.05 1jxl s VAL 296 N 1.39 3.04 -0.10 2.92 1.01 0.35 -4.99 120.40 124.01 1jxl s VAL 296 Ca 0.05 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1jxl s VAL 296 Cb -0.14 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1jxl s VAL 296 CO -0.07 0.59 0.34 -0.94 0.00 0.00 0.00 175.10 175.02 1jxl s SER 297 N -0.69 -0.32 -0.02 3.32 1.04 -1.26 -0.86 113.70 114.90 1jxl s SER 297 Ca 0.11 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.12 1jxl s SER 297 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1jxl s SER 297 CO 0.01 -0.19 -0.09 -0.13 0.98 0.00 0.00 173.24 173.82 1jxl s ARG 298 N -0.15 0.87 0.32 4.02 1.81 -0.65 -4.98 118.95 120.20 1jxl s ARG 298 Ca -0.03 -0.29 0.04 0.00 -1.72 0.00 0.00 55.73 53.73 1jxl s ARG 298 Cb -0.03 -0.83 -0.03 0.00 -0.45 0.00 0.00 34.95 33.61 1jxl s ARG 298 CO 0.01 0.12 0.18 0.20 -0.68 0.00 0.00 175.30 175.14 1jxl s GLY 299 N 0.13 2.20 -0.15 -3.53 0.00 -1.26 0.22 107.32 104.93 1jxl s GLY 299 Ca -0.02 -1.74 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1jxl s GLY 299 CO 0.00 -1.59 0.39 -1.60 0.00 0.00 0.00 173.10 170.30 1jxl s ARG 300 N -3.72 0.45 -0.12 2.90 3.52 -0.27 -4.98 118.95 116.73 1jxl s ARG 300 Ca 0.35 0.56 0.01 0.00 -0.13 0.00 0.00 55.73 56.52 1jxl s ARG 300 Cb 0.04 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1jxl s ARG 300 CO 0.19 -0.06 -0.14 0.99 -0.81 0.00 0.00 175.30 175.47 1jxl s THR 301 N 0.31 3.00 0.20 4.11 2.01 -1.26 -1.61 115.64 122.40 1jxl s THR 301 Ca -0.01 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.37 1jxl s THR 301 Cb -0.03 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1jxl s THR 301 CO -0.01 0.54 0.10 -0.36 -0.69 0.00 0.00 174.62 174.20 1jxl s PHE 302 N 0.19 3.01 -2.00 4.92 0.40 0.12 -4.99 117.98 119.63 1jxl s PHE 302 Ca -0.08 -0.09 0.23 0.00 -0.60 0.00 0.00 56.93 56.39 1jxl s PHE 302 Cb -0.15 -1.41 1.37 0.00 0.51 0.00 0.00 43.02 43.34 1jxl s PHE 302 CO 0.05 0.53 1.78 -0.35 0.70 0.00 0.00 175.22 177.94 1jxl n PRO 303 N -0.55 0.82 -4.32 0.24 -0.04 -1.26 -4.80 135.00 125.10 1jxl n PRO 303 Ca -0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.19 1jxl n PRO 303 Cb 0.56 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 1jxl n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jxl s HIS 304 N -2.00 1.60 0.53 0.54 -3.43 -1.26 -5.13 115.29 106.14 1jxl s HIS 304 Ca 0.34 -1.44 -0.20 0.00 -0.80 0.00 0.00 55.06 52.97 1jxl s HIS 304 Cb 0.16 -0.81 -0.06 0.00 -1.43 0.00 0.00 32.58 30.44 1jxl s HIS 304 CO 0.27 -0.61 1.13 0.20 -2.00 0.00 0.00 174.74 173.73 1jxl s GLY 305 N -3.37 2.65 -0.24 -1.38 0.00 -1.26 -4.47 107.32 99.25 1jxl s GLY 305 Ca 0.36 0.84 -0.15 0.00 0.00 0.00 0.00 44.72 45.76 1jxl s GLY 305 CO 0.19 1.20 0.39 -0.42 0.00 0.00 0.00 173.10 174.47 1jxl s ILE 306 N -1.74 5.18 0.53 0.90 1.01 0.13 -4.96 121.20 122.25 1jxl s ILE 306 Ca 0.71 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.94 1jxl s ILE 306 Cb -0.24 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1jxl s ILE 306 CO 0.28 0.20 0.87 -0.94 0.00 0.00 0.00 174.94 175.35 1jxl s SER 307 N 1.35 6.24 0.35 3.58 1.04 -1.26 -4.70 113.70 120.30 1jxl s SER 307 Ca 0.17 1.10 0.08 0.00 0.48 0.00 0.00 55.95 57.78 1jxl s SER 307 Cb -0.15 -2.32 0.79 0.00 0.10 0.00 0.00 66.02 64.43 1jxl s SER 307 CO 0.09 -0.68 1.87 0.50 0.98 0.00 0.00 173.24 176.00 1jxl h LYS 308 N 0.03 0.71 -0.57 4.02 3.64 -1.98 0.40 116.57 122.81 1jxl h LYS 308 Ca -0.46 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1jxl h LYS 308 Cb 1.20 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1jxl h LYS 308 CO 0.62 0.47 0.00 0.93 -2.27 0.00 0.00 179.45 179.20 1jxl h GLU 309 N 0.73 1.00 -0.21 1.90 3.07 -2.00 0.99 114.58 120.07 1jxl h GLU 309 Ca 0.44 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 1jxl h GLU 309 Cb 0.66 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1jxl h GLU 309 CO -0.20 1.00 -0.35 1.15 -1.40 0.00 0.00 179.01 179.20 1jxl h THR 310 N 0.89 1.29 -0.81 1.13 2.02 -1.39 -1.73 112.91 114.31 1jxl h THR 310 Ca 0.16 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1jxl h THR 310 Cb 0.54 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1jxl h THR 310 CO 0.03 0.45 0.46 0.00 0.37 0.00 0.00 175.52 176.83 1jxl h ALA 311 N 1.25 1.04 -0.04 6.16 0.00 0.78 0.92 119.26 129.36 1jxl h ALA 311 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jxl h ALA 311 Cb 0.80 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jxl h ALA 311 CO 0.06 0.53 0.02 1.88 0.00 0.00 0.00 179.25 181.74 1jxl h TYR 312 N 1.12 0.07 -0.16 0.00 0.05 -0.39 -1.07 116.97 116.59 1jxl h TYR 312 Ca 0.29 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.84 1jxl h TYR 312 Cb 0.00 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.73 1jxl h TYR 312 CO 0.00 0.19 -0.76 0.66 -1.05 0.00 0.00 178.16 177.20 1jxl h SER 313 N -0.07 0.95 0.17 3.88 4.64 -1.27 -3.06 113.55 118.79 1jxl h SER 313 Ca 0.01 -0.62 -0.07 0.00 -0.47 0.00 0.00 61.79 60.64 1jxl h SER 313 Cb 0.15 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1jxl h SER 313 CO -0.00 1.42 -0.28 -0.08 -0.87 0.00 0.00 176.83 177.02 1jxl h GLU 314 N 0.54 0.18 -0.30 4.77 4.57 -0.80 -2.68 114.58 120.86 1jxl h GLU 314 Ca -0.05 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 1jxl h GLU 314 Cb 1.39 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 1jxl h GLU 314 CO 0.16 0.44 -0.16 0.66 -1.18 0.00 0.00 179.01 178.93 1jxl h SER 315 N 0.16 0.52 -0.33 1.04 4.64 -1.18 -0.31 113.55 118.09 1jxl h SER 315 Ca 0.02 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1jxl h SER 315 Cb 0.58 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1jxl h SER 315 CO 0.04 0.70 0.01 0.58 -0.87 0.00 0.00 176.83 177.29 1jxl h VAL 316 N 0.48 1.25 -0.98 0.95 2.07 -1.39 0.40 116.25 119.03 1jxl h VAL 316 Ca 0.08 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1jxl h VAL 316 Cb 0.56 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1jxl h VAL 316 CO 0.04 0.31 0.64 0.11 0.02 0.00 0.00 177.57 178.69 1jxl h LYS 317 N 0.38 1.30 -0.19 1.57 1.57 -1.09 0.93 116.57 121.03 1jxl h LYS 317 Ca 0.09 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1jxl h LYS 317 Cb 0.43 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jxl h LYS 317 CO 0.02 0.86 -0.54 -0.07 -0.57 0.00 0.00 179.45 179.15 1jxl h LEU 318 N 1.33 0.63 -0.36 2.94 3.38 -0.59 -1.82 115.31 120.83 1jxl h LEU 318 Ca 0.36 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1jxl h LEU 318 Cb -0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1jxl h LEU 318 CO -0.08 1.04 0.05 0.25 0.09 0.00 0.00 178.44 179.80 1jxl h LEU 319 N 0.44 0.58 -0.80 1.67 5.85 0.29 -1.20 115.31 122.14 1jxl h LEU 319 Ca 0.01 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.56 1jxl h LEU 319 Cb 1.08 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1jxl h LEU 319 CO 0.10 0.70 0.44 1.56 -0.34 0.00 0.00 178.44 180.90 1jxl h GLN 320 N 0.43 0.71 -0.68 1.25 4.20 -0.73 0.75 115.11 121.05 1jxl h GLN 320 Ca 0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1jxl h GLN 320 Cb 0.37 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1jxl h GLN 320 CO 0.01 0.47 0.32 -0.22 -0.67 0.00 0.00 178.83 178.75 1jxl h LYS 321 N 0.74 0.96 -0.10 1.46 3.64 -0.92 0.74 116.57 123.09 1jxl h LYS 321 Ca 0.39 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1jxl h LYS 321 Cb 0.38 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1jxl h LYS 321 CO -0.26 0.74 0.01 0.82 -2.27 0.00 0.00 179.45 178.49 1jxl h ILE 322 N 0.96 1.23 -0.61 2.00 2.04 0.31 -1.09 117.51 122.35 1jxl h ILE 322 Ca 0.24 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1jxl h ILE 322 Cb 0.10 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1jxl h ILE 322 CO -0.03 0.21 0.31 -0.07 0.00 0.00 0.00 178.15 178.56 1jxl h LEU 323 N -0.08 0.42 -0.12 1.44 -0.00 -0.67 -0.97 115.31 115.34 1jxl h LEU 323 Ca 0.03 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1jxl h LEU 323 Cb 0.32 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1jxl h LEU 323 CO 0.00 0.27 0.08 -0.33 -0.00 0.00 0.00 178.44 178.46 1jxl h GLU 324 N 0.56 0.16 -0.01 1.13 5.08 -0.74 -3.21 114.58 117.56 1jxl h GLU 324 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1jxl h GLU 324 Cb 0.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jxl h GLU 324 CO -0.20 0.13 -0.11 0.39 -1.00 0.00 0.00 179.01 178.21 1jxl n GLU 325 N -4.99 1.01 -3.75 2.33 1.02 -0.42 -4.79 120.64 111.05 1jxl n GLU 325 Ca -0.05 -0.47 -0.15 0.00 -0.02 0.00 0.00 57.16 56.47 1jxl n GLU 325 Cb 0.04 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 29.81 1jxl n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jxl s ASP 326 N -2.32 0.20 0.18 1.62 -1.08 -0.39 -5.05 116.67 109.82 1jxl s ASP 326 Ca 0.32 0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.71 1jxl s ASP 326 Cb 0.20 -0.00 0.39 0.00 -1.46 0.00 0.00 42.92 42.05 1jxl s ASP 326 CO 0.44 -0.16 1.40 1.05 0.52 0.00 0.00 175.17 178.42 1jxl h GLU 327 N 7.49 0.00 -7.20 4.34 4.11 -1.86 -3.41 114.58 118.05 1jxl h GLU 327 Ca -0.39 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.51 1jxl h GLU 327 Cb 1.12 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.52 1jxl h GLU 327 CO 0.41 0.00 0.37 1.03 0.07 0.00 0.00 179.01 180.88 1jxl s ARG 328 N -3.19 2.23 0.42 1.06 0.52 -1.26 -5.00 118.95 113.73 1jxl s ARG 328 Ca 0.06 1.59 -0.23 0.00 -0.52 0.00 0.00 55.73 56.64 1jxl s ARG 328 Cb 0.12 -1.86 -0.09 0.00 0.52 0.00 0.00 34.95 33.63 1jxl s ARG 328 CO 0.70 -1.73 1.01 0.15 0.02 0.00 0.00 175.30 175.45 1jxl s LYS 329 N -4.10 4.13 -0.09 3.54 1.02 -1.26 -4.93 119.74 118.04 1jxl s LYS 329 Ca 0.70 1.37 -0.11 0.00 0.02 0.00 0.00 55.97 57.95 1jxl s LYS 329 Cb -0.25 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1jxl s LYS 329 CO 0.46 -0.14 0.26 0.42 -0.92 0.00 0.00 175.35 175.43 1jxl s ILE 330 N -1.85 5.30 -0.21 2.17 1.01 -0.18 -0.85 121.20 126.59 1jxl s ILE 330 Ca 0.60 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.69 1jxl s ILE 330 Cb -0.17 -3.56 -0.11 0.00 0.01 0.00 0.00 42.46 38.63 1jxl s ILE 330 CO 0.22 0.55 -0.24 -1.14 0.00 0.00 0.00 174.94 174.33 1jxl n ARG 331 N 2.37 0.48 -5.02 2.79 0.63 0.26 -1.32 116.66 116.84 1jxl n ARG 331 Ca -0.16 0.16 -0.29 0.00 -0.92 0.00 0.00 57.85 56.65 1jxl n ARG 331 Cb 0.53 -1.32 -0.15 0.00 0.45 0.00 0.00 32.46 31.97 1jxl n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1jxl s ARG 332 N -2.40 1.81 0.01 -0.14 0.52 -0.70 -1.55 118.95 116.50 1jxl s ARG 332 Ca -0.29 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 53.99 1jxl s ARG 332 Cb 0.10 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1jxl s ARG 332 CO 0.42 0.49 -0.04 -1.50 0.02 0.00 0.00 175.30 174.69 1jxl s ILE 333 N -0.66 0.28 0.00 1.52 1.10 -0.30 -0.59 121.20 122.54 1jxl s ILE 333 Ca 0.10 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 59.78 1jxl s ILE 333 Cb -0.09 -0.30 0.00 0.00 0.15 0.00 0.00 42.46 42.22 1jxl s ILE 333 CO 0.00 -0.12 0.00 0.61 -2.11 0.00 0.00 174.94 173.32 1jxl n GLY 334 N 2.45 1.55 3.09 1.50 0.00 0.93 -1.33 105.19 113.38 1jxl n GLY 334 Ca -0.17 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1jxl n GLY 334 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jxl s VAL 335 N -2.58 0.20 -0.01 1.61 -7.23 -0.36 -0.51 120.40 111.52 1jxl s VAL 335 Ca 0.00 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1jxl s VAL 335 Cb 0.00 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1jxl s VAL 335 CO 0.00 -0.90 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.28 1jxl s ARG 336 N -3.57 0.22 0.01 4.82 6.06 0.07 -1.55 118.95 125.01 1jxl s ARG 336 Ca 0.04 -0.02 0.07 0.00 -2.50 0.00 0.00 55.73 53.32 1jxl s ARG 336 Cb 0.05 -0.30 -0.03 0.00 0.06 0.00 0.00 34.95 34.74 1jxl s ARG 336 CO -0.09 -0.02 -0.20 -0.06 -2.50 0.00 0.00 175.30 172.43 1jxl s PHE 337 N 0.38 2.51 0.00 5.12 0.08 0.20 -0.63 117.98 125.64 1jxl s PHE 337 Ca -0.04 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.72 1jxl s PHE 337 Cb -0.06 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1jxl s PHE 337 CO -0.01 0.17 0.00 -1.13 -0.10 0.00 0.00 175.22 174.15 1jxl n SER 338 N 1.90 0.00 -3.71 1.36 3.41 -0.26 -1.57 113.62 114.75 1jxl n SER 338 Ca -0.16 -0.51 -0.25 0.00 -0.26 0.00 0.00 58.87 57.68 1jxl n SER 338 Cb 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1jxl n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jxl n LYS 339 N 0.00 -3.05 -1.41 4.33 5.02 -1.25 -1.96 118.16 119.83 1jxl n LYS 339 Ca 0.00 0.53 -0.35 0.00 -2.02 0.00 0.00 58.31 56.47 1jxl n LYS 339 Cb 0.00 -4.71 0.10 0.00 -0.02 0.00 0.00 35.03 30.39 1jxl n LYS 339 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jxl n PHE 340 N -4.19 1.54 1.92 2.13 3.72 -1.26 -1.71 117.46 119.61 1jxl n PHE 340 Ca -0.21 0.41 0.15 0.00 -0.05 0.00 0.00 57.45 57.75 1jxl n PHE 340 Cb 0.65 -2.18 0.91 0.00 -0.94 0.00 0.00 39.48 37.92 1jxl n PHE 340 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82