#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxl s THR 3 N 0.00 2.71 -0.16 3.15 -4.23 -1.26 -1.76 115.64 114.10 3kxl s THR 3 Ca 0.00 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 3kxl s THR 3 Cb 0.00 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.94 3kxl s THR 3 CO 0.00 -0.30 0.70 0.00 -0.54 0.00 0.00 174.62 174.47 3kxl s ALA 4 N -3.18 -1.77 -0.16 3.99 0.00 -0.99 -3.04 121.76 116.60 3kxl s ALA 4 Ca 0.62 1.66 -0.05 0.00 0.00 0.00 0.00 51.96 54.18 3kxl s ALA 4 Cb -0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3kxl s ALA 4 CO 0.54 -0.35 0.01 0.00 0.00 0.00 0.00 175.76 175.95 3kxl s ALA 5 N -0.44 3.20 -0.12 0.00 0.00 -0.27 -1.73 121.76 122.41 3kxl s ALA 5 Ca -0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3kxl s ALA 5 Cb -0.02 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 3kxl s ALA 5 CO 0.06 0.22 -0.09 -1.17 0.00 0.00 0.00 175.76 174.78 3kxl s LEU 6 N 0.29 2.96 -0.27 0.00 2.96 0.36 -0.28 118.68 124.71 3kxl s LEU 6 Ca -0.00 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3kxl s LEU 6 Cb -0.13 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 44.93 3kxl s LEU 6 CO 0.02 0.23 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.86 3kxl s PHE 7 N -0.01 3.19 -0.05 5.38 0.08 -0.35 -0.56 117.98 125.67 3kxl s PHE 7 Ca -0.02 -1.88 -0.19 0.00 0.12 0.00 0.00 56.93 54.96 3kxl s PHE 7 Cb -0.14 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3kxl s PHE 7 CO 0.03 -0.80 0.44 0.54 -0.10 0.00 0.00 175.22 175.33 3kxl s VAL 8 N 1.24 0.03 1.08 -0.44 0.11 -1.04 -0.87 120.40 120.51 3kxl s VAL 8 Ca -0.04 -0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 58.61 3kxl s VAL 8 Cb -0.19 -0.72 0.24 0.00 -1.53 0.00 0.00 36.38 34.17 3kxl s VAL 8 CO -0.03 -0.15 1.06 -0.94 -3.33 0.00 0.00 175.10 171.71 3kxl s SER 9 N -1.03 1.82 0.27 3.54 1.04 -1.26 -3.34 113.70 114.73 3kxl s SER 9 Ca -0.11 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 57.65 3kxl s SER 9 Cb -0.03 -2.07 0.36 0.00 0.10 0.00 0.00 66.02 64.38 3kxl s SER 9 CO 0.05 -3.66 1.83 0.11 0.98 0.00 0.00 173.24 172.56 3kxl h LYS 10 N -2.25 0.92 -0.01 4.02 1.57 -1.96 -1.86 116.57 116.99 3kxl h LYS 10 Ca -0.58 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 57.78 3kxl h LYS 10 Cb 1.33 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 33.51 3kxl h LYS 10 CO 0.54 0.79 -1.00 1.05 -0.57 0.00 0.00 179.45 180.26 3kxl h GLU 11 N 0.90 0.63 -0.02 3.15 4.11 -2.05 -3.25 114.58 118.05 3kxl h GLU 11 Ca 0.20 -0.66 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3kxl h GLU 11 Cb 0.24 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3kxl h GLU 11 CO -0.01 1.26 -0.07 1.19 0.07 0.00 0.00 179.01 181.45 3kxl n PHE 12 N -3.83 0.00 -0.27 2.06 3.72 -1.21 -4.27 117.46 113.67 3kxl n PHE 12 Ca -0.10 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.25 3kxl n PHE 12 Cb 0.86 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 39.44 3kxl n PHE 12 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kxl h GLU 13 N 2.67 0.98 -0.27 -1.08 4.81 -1.37 0.15 114.58 120.48 3kxl h GLU 13 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3kxl h GLU 13 Cb 0.62 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3kxl h GLU 13 CO 0.00 0.68 0.18 1.49 -0.73 0.00 0.00 179.01 180.63 3kxl h GLU 14 N 1.00 0.35 -0.36 1.92 4.81 -1.78 -1.72 114.58 118.79 3kxl h GLU 14 Ca 0.26 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3kxl h GLU 14 Cb -0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3kxl h GLU 14 CO -0.05 0.23 -0.03 1.49 -0.73 0.00 0.00 179.01 179.92 3kxl h GLU 15 N 0.36 0.66 -0.26 1.92 4.57 -1.74 -3.24 114.58 116.86 3kxl h GLU 15 Ca 0.10 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3kxl h GLU 15 Cb -0.04 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3kxl h GLU 15 CO -0.03 0.79 0.14 0.00 -1.18 0.00 0.00 179.01 178.74 3kxl h ALA 16 N 0.85 0.33 -0.77 2.92 0.00 -0.53 -2.60 119.26 119.46 3kxl h ALA 16 Ca 0.10 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3kxl h ALA 16 Cb 0.51 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3kxl h ALA 16 CO 0.03 -0.15 0.41 0.82 0.00 0.00 0.00 179.25 180.36 3kxl h ILE 17 N 0.30 0.87 -0.74 0.00 2.04 -1.37 0.83 117.51 119.44 3kxl h ILE 17 Ca 0.09 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3kxl h ILE 17 Cb 0.06 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 3kxl h ILE 17 CO -0.01 0.13 0.22 0.00 0.00 0.00 0.00 178.15 178.48 3kxl h ALA 18 N 1.44 0.97 -0.16 1.87 0.00 -1.55 -1.52 119.26 120.32 3kxl h ALA 18 Ca 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kxl h ALA 18 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kxl h ALA 18 CO -0.26 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 3kxl h LEU 19 N 1.11 0.28 -0.05 0.00 3.38 -0.86 0.16 115.31 119.33 3kxl h LEU 19 Ca 0.24 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3kxl h LEU 19 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kxl h LEU 19 CO -0.01 0.52 -0.02 0.58 0.09 0.00 0.00 178.44 179.60 3kxl h VAL 20 N 0.03 0.93 -0.24 1.22 2.07 -0.79 -0.80 116.25 118.68 3kxl h VAL 20 Ca 0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 3kxl h VAL 20 Cb 0.37 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3kxl h VAL 20 CO 0.01 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 177.25 3kxl h GLU 21 N -0.02 0.47 0.00 1.57 4.81 -1.28 -1.94 114.58 118.19 3kxl h GLU 21 Ca 0.03 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3kxl h GLU 21 Cb 0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3kxl h GLU 21 CO -0.06 0.70 0.00 0.78 -0.73 0.00 0.00 179.01 179.70 3kxl h GLY 22 N 1.03 0.00 -2.49 1.92 0.00 -0.27 -1.68 103.07 101.59 3kxl h GLY 22 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kxl h GLY 22 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 3kxl n ALA 23 N -2.09 3.27 -3.19 3.60 0.00 -0.34 -4.90 120.51 116.87 3kxl n ALA 23 Ca -0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 53.44 52.14 3kxl n ALA 23 Cb 0.24 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 18.69 3kxl n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kxl n ASN 24 N 0.43 -3.29 -4.24 0.00 3.02 -0.63 -5.01 115.26 105.53 3kxl n ASN 24 Ca 0.17 -0.45 -0.29 0.00 -0.03 0.00 0.00 54.58 53.98 3kxl n ASN 24 Cb 0.79 -4.01 -0.16 0.00 -0.61 0.00 0.00 39.78 35.79 3kxl n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kxl s TYR 25 N -3.26 2.05 -0.66 3.10 2.02 -1.04 -4.74 117.35 114.82 3kxl s TYR 25 Ca 0.17 -0.46 -0.21 0.00 -0.37 0.00 0.00 57.07 56.20 3kxl s TYR 25 Cb -0.08 -1.34 0.09 0.00 -0.40 0.00 0.00 41.96 40.24 3kxl s TYR 25 CO 0.56 -0.09 0.86 0.15 -1.57 0.00 0.00 175.55 175.47 3kxl s LYS 26 N -0.38 3.13 -0.30 -0.62 1.02 -0.72 -3.99 119.74 117.88 3kxl s LYS 26 Ca 0.05 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 3kxl s LYS 26 Cb -0.10 -4.31 -0.05 0.00 -0.52 0.00 0.00 37.83 32.85 3kxl s LYS 26 CO 0.00 -1.69 2.17 0.08 -0.92 0.00 0.00 175.35 174.99 3kxl s VAL 27 N 3.29 3.10 -0.24 3.17 1.01 -1.26 -2.35 120.40 127.12 3kxl s VAL 27 Ca 0.18 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3kxl s VAL 27 Cb -0.19 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 3kxl s VAL 27 CO 0.06 -0.11 -0.27 0.35 0.00 0.00 0.00 175.10 175.13 3kxl n THR 28 N 7.73 1.52 -4.56 3.92 -2.24 -0.71 -4.95 114.28 114.99 3kxl n THR 28 Ca 0.30 -0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.58 3kxl n THR 28 Cb 0.47 -2.04 -0.12 0.00 -2.10 0.00 0.00 70.33 66.55 3kxl n THR 28 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kxl s SER 29 N -6.96 4.17 -0.04 3.42 0.01 -1.21 -5.05 113.70 108.04 3kxl s SER 29 Ca -0.34 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 3kxl s SER 29 Cb 0.11 -0.82 0.03 0.00 0.21 0.00 0.00 66.02 65.55 3kxl s SER 29 CO 0.47 0.26 0.02 -0.63 0.41 0.00 0.00 173.24 173.78 3kxl s ILE 30 N -0.96 0.08 0.28 1.44 1.01 -1.26 -0.48 121.20 121.30 3kxl s ILE 30 Ca 0.16 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.12 3kxl s ILE 30 Cb -0.11 -0.25 -0.06 0.00 0.01 0.00 0.00 42.46 42.06 3kxl s ILE 30 CO 0.07 0.17 -0.11 -0.31 0.00 0.00 0.00 174.94 174.76 3kxl s TYR 31 N 1.57 2.04 0.56 3.97 2.02 0.28 -4.98 117.35 122.81 3kxl s TYR 31 Ca -0.02 -0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 55.94 3kxl s TYR 31 Cb -0.13 -1.08 -0.06 0.00 -0.40 0.00 0.00 41.96 40.30 3kxl s TYR 31 CO -0.03 0.43 1.03 0.21 -1.57 0.00 0.00 175.55 175.62 3kxl s LYS 32 N -3.65 3.58 -0.20 -0.62 2.20 -1.26 -2.50 119.74 117.29 3kxl s LYS 32 Ca 0.29 1.14 -0.22 0.00 -0.36 0.00 0.00 55.97 56.82 3kxl s LYS 32 Cb 0.01 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.24 3kxl s LYS 32 CO 0.12 -0.59 0.68 -1.17 -0.36 0.00 0.00 175.35 174.03 3kxl s LEU 33 N -4.24 4.14 -0.15 5.43 2.96 -1.21 -4.61 118.68 120.99 3kxl s LEU 33 Ca 0.62 0.91 -0.34 0.00 -0.22 0.00 0.00 54.13 55.10 3kxl s LEU 33 Cb -0.14 -2.98 -0.11 0.00 0.50 0.00 0.00 46.19 43.46 3kxl s LEU 33 CO 0.33 -0.32 1.96 -2.65 -1.32 0.00 0.00 176.35 174.35 3kxl n PRO 34 N 5.17 1.95 0.27 0.98 -0.02 -1.26 -4.85 135.00 137.25 3kxl n PRO 34 Ca 0.00 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 3kxl n PRO 34 Cb 0.49 -2.65 0.77 0.00 -0.02 0.00 0.00 33.50 32.09 3kxl n PRO 34 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kxl h LYS 35 N 10.17 0.00 -2.99 -0.52 6.56 -1.97 -3.24 116.57 124.58 3kxl h LYS 35 Ca -0.45 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.52 3kxl h LYS 35 Cb 1.28 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 32.52 3kxl h LYS 35 CO 0.96 0.08 -0.54 0.45 -2.06 0.00 0.00 179.45 178.34 3kxl n SER 36 N -3.79 3.21 -4.58 0.86 2.88 -1.26 -5.09 113.62 105.85 3kxl n SER 36 Ca -0.02 -3.24 -0.46 0.00 -1.33 0.00 0.00 58.87 53.81 3kxl n SER 36 Cb 0.18 -0.77 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 3kxl n SER 36 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kxl n PRO 37 N 1.83 1.23 -2.26 -1.46 -0.02 -1.23 -4.92 135.00 128.18 3kxl n PRO 37 Ca 0.21 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3kxl n PRO 37 Cb 0.36 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3kxl n PRO 37 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kxl s ASN 38 N -0.35 6.96 0.31 2.55 3.84 0.14 -4.86 114.94 123.53 3kxl s ASN 38 Ca 0.65 2.48 -0.00 0.00 0.21 0.00 0.00 52.86 56.19 3kxl s ASN 38 Cb -0.77 -2.63 0.50 0.00 -0.55 0.00 0.00 41.25 37.80 3kxl s ASN 38 CO 0.57 -0.41 1.95 0.58 -2.79 0.00 0.00 177.10 176.99 3kxl h VAL 39 N 3.24 1.20 0.04 -5.21 2.07 -1.91 0.64 116.25 116.32 3kxl h VAL 39 Ca -0.47 -0.46 -0.33 0.00 0.82 0.00 0.00 66.70 66.26 3kxl h VAL 39 Cb 1.22 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3kxl h VAL 39 CO 0.69 0.21 -1.86 0.29 0.02 0.00 0.00 177.57 176.92 3kxl n LYS 40 N -4.39 0.63 0.00 1.57 5.02 -1.26 -4.62 118.16 115.11 3kxl n LYS 40 Ca 0.07 0.38 0.04 0.00 -2.02 0.00 0.00 58.31 56.78 3kxl n LYS 40 Cb 0.08 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 3kxl n LYS 40 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3kxl n PHE 41 N -4.00 0.00 0.00 2.13 3.72 -1.25 -4.06 117.46 114.00 3kxl n PHE 41 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3kxl n PHE 41 Cb 0.86 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 3kxl n PHE 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3kxl n TYR 42 N -0.19 0.00 -3.74 1.38 9.36 0.22 -4.85 117.16 119.33 3kxl n TYR 42 Ca 0.03 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.96 3kxl n TYR 42 Cb 0.16 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.83 3kxl n TYR 42 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 3kxl s ILE 43 N 0.00 5.23 0.33 2.97 -4.36 -1.26 0.25 121.20 124.36 3kxl s ILE 43 Ca 0.00 -0.23 -0.29 0.00 -0.26 0.00 0.00 60.65 59.87 3kxl s ILE 43 Cb 0.00 -3.67 -0.12 0.00 1.25 0.00 0.00 42.46 39.92 3kxl s ILE 43 CO 0.00 -0.03 1.39 0.00 0.24 0.00 0.00 174.94 176.55 3kxl n GLN 44 N -0.18 2.32 -0.05 0.37 3.00 -1.26 -4.65 117.38 116.93 3kxl n GLN 44 Ca -0.04 0.82 0.10 0.00 -0.01 0.00 0.00 57.00 57.87 3kxl n GLN 44 Cb 0.52 -2.47 0.49 0.00 0.00 0.00 0.00 30.24 28.78 3kxl n GLN 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 3kxl h TYR 45 N 3.17 0.44 0.09 1.08 5.03 -1.97 -2.22 116.97 122.59 3kxl h TYR 45 Ca -0.47 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 60.85 3kxl h TYR 45 Cb 1.26 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.40 3kxl h TYR 45 CO 0.53 0.23 -0.04 0.38 -1.32 0.00 0.00 178.16 177.93 3kxl h ASP 46 N 0.43 -0.11 -0.18 -2.11 2.03 -2.00 -1.78 116.42 112.71 3kxl h ASP 46 Ca 0.24 -0.06 -0.06 0.00 -0.73 0.00 0.00 57.03 56.41 3kxl h ASP 46 Cb 0.38 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 3kxl h ASP 46 CO -0.06 -0.01 -0.08 0.11 -1.03 0.00 0.00 179.24 178.17 3kxl h LYS 47 N -0.20 0.52 -0.72 4.15 1.57 -1.83 -1.10 116.57 118.97 3kxl h LYS 47 Ca -0.01 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3kxl h LYS 47 Cb 0.16 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3kxl h LYS 47 CO 0.02 0.61 0.44 1.25 -0.57 0.00 0.00 179.45 181.19 3kxl h LEU 48 N 0.49 0.69 -0.70 2.94 5.85 -1.17 -0.44 115.31 122.97 3kxl h LEU 48 Ca 0.10 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3kxl h LEU 48 Cb 0.44 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3kxl h LEU 48 CO 0.02 0.47 -0.32 1.56 -0.34 0.00 0.00 178.44 179.83 3kxl h GLN 49 N 0.83 0.65 -0.99 1.25 1.08 -0.69 -1.83 115.11 115.41 3kxl h GLN 49 Ca 0.30 -0.29 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3kxl h GLN 49 Cb 0.09 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 3kxl h GLN 49 CO -0.14 0.88 0.64 1.96 -0.95 0.00 0.00 178.83 181.22 3kxl h GLN 50 N 0.55 1.32 -0.51 1.46 4.20 -0.52 0.30 115.11 121.91 3kxl h GLN 50 Ca 0.06 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3kxl h GLN 50 Cb 0.82 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3kxl h GLN 50 CO 0.07 0.89 0.05 0.82 -0.67 0.00 0.00 178.83 179.98 3kxl h ILE 51 N 1.35 1.26 -0.60 2.54 1.08 -0.85 -3.00 117.51 119.29 3kxl h ILE 51 Ca 0.36 -1.01 -0.08 0.00 -0.39 0.00 0.00 64.86 63.74 3kxl h ILE 51 Cb -0.13 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3kxl h ILE 51 CO -0.08 0.36 0.05 0.50 -0.69 0.00 0.00 178.15 178.30 3kxl h LYS 52 N 0.75 1.01 -1.86 2.37 3.64 -0.65 -3.13 116.57 118.70 3kxl h LYS 52 Ca 0.15 -0.28 -0.30 0.00 -1.27 0.00 0.00 60.65 58.95 3kxl h LYS 52 Cb 0.46 -0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.05 3kxl h LYS 52 CO 0.02 0.96 0.15 0.09 -2.27 0.00 0.00 179.45 178.40 3kxl n ASN 53 N -4.20 6.00 -3.37 4.20 3.02 1.00 -4.71 115.26 117.20 3kxl n ASN 53 Ca 0.04 -2.87 -0.13 0.00 -0.03 0.00 0.00 54.58 51.59 3kxl n ASN 53 Cb 0.31 -1.21 -0.09 0.00 -0.61 0.00 0.00 39.78 38.18 3kxl n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kxl s ASP 54 N 0.96 0.93 0.00 6.41 -1.08 -1.18 -4.95 116.67 117.75 3kxl s ASP 54 Ca 0.43 -0.34 0.17 0.00 -0.52 0.00 0.00 52.55 52.30 3kxl s ASP 54 Cb 0.27 0.81 0.98 0.00 -1.46 0.00 0.00 42.92 43.52 3kxl s ASP 54 CO -0.07 -0.35 1.45 -0.62 0.52 0.00 0.00 175.17 176.09 3kxl n GLU 55 N 5.34 0.46 -0.34 4.34 1.02 -1.26 -2.08 120.64 128.12 3kxl n GLU 55 Ca -0.02 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 3kxl n GLU 55 Cb 0.48 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.69 3kxl n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kxl n GLU 56 N -1.07 2.56 -4.30 3.49 1.02 -1.26 -4.84 120.64 116.24 3kxl n GLU 56 Ca 0.12 -2.28 -0.29 0.00 -0.02 0.00 0.00 57.16 54.68 3kxl n GLU 56 Cb 0.08 -1.53 -0.17 0.00 -0.02 0.00 0.00 31.44 29.81 3kxl n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kxl s ILE 57 N -1.24 1.53 -0.29 -3.67 -1.09 -0.88 -4.71 121.20 110.85 3kxl s ILE 57 Ca 0.42 -0.64 0.06 0.00 -2.23 0.00 0.00 60.65 58.27 3kxl s ILE 57 Cb 0.23 -1.41 -0.07 0.00 -1.58 0.00 0.00 42.46 39.62 3kxl s ILE 57 CO 0.28 0.45 0.27 -1.54 -1.23 0.00 0.00 174.94 173.17 3kxl n SER 58 N 4.41 0.48 -3.68 3.58 3.41 -1.24 -4.97 113.62 115.61 3kxl n SER 58 Ca -0.18 -0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 57.71 3kxl n SER 58 Cb 0.51 1.02 -0.10 0.00 -0.26 0.00 0.00 64.21 65.37 3kxl n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kxl s THR 59 N -1.66 -0.21 -0.28 6.66 2.01 -1.17 -2.23 115.64 118.77 3kxl s THR 59 Ca 0.02 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 3kxl s THR 59 Cb 0.05 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 3kxl s THR 59 CO 0.27 0.05 0.19 -0.22 -0.69 0.00 0.00 174.62 174.22 3kxl s LEU 60 N 1.77 4.03 -0.21 4.42 2.96 0.11 -1.11 118.68 130.65 3kxl s LEU 60 Ca -0.07 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3kxl s LEU 60 Cb -0.09 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.50 3kxl s LEU 60 CO -0.13 -0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.08 3kxl s ILE 61 N 1.69 2.27 -0.30 6.68 1.01 0.62 -0.04 121.20 133.12 3kxl s ILE 61 Ca 0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 3kxl s ILE 61 Cb -0.16 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3kxl s ILE 61 CO 0.10 0.33 0.09 -0.63 0.00 0.00 0.00 174.94 174.83 3kxl s ILE 62 N 1.25 4.02 -1.10 2.92 1.01 -0.20 -1.21 121.20 127.89 3kxl s ILE 62 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 3kxl s ILE 62 Cb -0.16 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 3kxl s ILE 62 CO -0.09 0.08 2.02 0.33 0.00 0.00 0.00 174.94 177.28 3kxl n PHE 63 N 4.88 2.78 -3.83 3.97 7.35 -0.05 -2.88 117.46 129.66 3kxl n PHE 63 Ca -0.14 -2.28 -0.06 0.00 -0.76 0.00 0.00 57.45 54.21 3kxl n PHE 63 Cb 0.48 -2.17 0.01 0.00 0.35 0.00 0.00 39.48 38.15 3kxl n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3kxl s GLU 64 N 4.42 1.66 -0.45 -4.13 0.41 -1.26 -4.83 118.70 114.52 3kxl s GLU 64 Ca 0.54 -1.03 -0.16 0.00 -0.41 0.00 0.00 54.97 53.91 3kxl s GLU 64 Cb 0.12 0.49 0.05 0.00 -1.78 0.00 0.00 34.13 33.01 3kxl s GLU 64 CO 0.04 -0.77 0.41 -1.14 -0.49 0.00 0.00 175.26 173.31 3kxl s GLN 65 N -2.61 3.01 0.14 1.61 0.74 -1.26 -1.00 119.66 120.29 3kxl s GLN 65 Ca 0.17 -1.10 -0.14 0.00 0.05 0.00 0.00 55.36 54.33 3kxl s GLN 65 Cb -0.04 -4.06 -0.07 0.00 1.10 0.00 0.00 33.01 29.95 3kxl s GLN 65 CO 0.07 -0.95 0.54 -0.51 -0.55 0.00 0.00 175.29 173.89 3kxl s LEU 66 N 1.86 4.34 0.55 3.68 1.43 -1.26 -5.07 118.68 124.21 3kxl s LEU 66 Ca 0.07 1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 3kxl s LEU 66 Cb -0.21 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 3kxl s LEU 66 CO 0.09 0.10 1.00 -0.54 0.23 0.00 0.00 176.35 177.24 3kxl s LYS 67 N -1.97 3.79 0.34 1.70 -0.14 -1.26 -4.92 119.74 117.28 3kxl s LYS 67 Ca 0.38 0.91 0.11 0.00 -1.36 0.00 0.00 55.97 56.00 3kxl s LYS 67 Cb -0.15 -2.11 0.89 0.00 -1.68 0.00 0.00 37.83 34.78 3kxl s LYS 67 CO 0.19 -0.40 1.76 -1.35 -0.76 0.00 0.00 175.35 174.79 3kxl h PRO 68 N 0.51 0.58 0.00 -1.68 0.11 -1.95 0.73 132.00 130.31 3kxl h PRO 68 Ca -0.46 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3kxl h PRO 68 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3kxl h PRO 68 CO 0.61 0.38 -0.23 0.07 -0.21 0.00 0.00 178.00 178.63 3kxl h ARG 69 N 0.60 0.00 0.00 1.05 0.11 -1.91 -1.77 114.38 112.46 3kxl h ARG 69 Ca 0.60 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.68 3kxl h ARG 69 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3kxl h ARG 69 CO -0.38 0.23 -0.00 0.45 0.10 0.00 0.00 179.97 180.36 3kxl h HIS 70 N 0.00 -0.00 -0.57 4.08 3.86 -0.99 -2.01 115.15 119.51 3kxl h HIS 70 Ca -0.00 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 3kxl h HIS 70 Cb 0.41 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 3kxl h HIS 70 CO 0.00 0.36 0.26 0.74 0.86 0.00 0.00 177.93 180.15 3kxl h PHE 71 N -0.37 0.46 -0.01 2.45 0.04 -1.30 0.08 116.94 118.29 3kxl h PHE 71 Ca -0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3kxl h PHE 71 Cb 0.37 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3kxl h PHE 71 CO 0.05 0.18 -0.03 0.82 -0.60 0.00 0.00 178.31 178.74 3kxl h ILE 72 N 0.48 0.92 -0.56 -0.55 2.04 -1.29 0.11 117.51 118.66 3kxl h ILE 72 Ca 0.27 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.02 3kxl h ILE 72 Cb 0.25 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3kxl h ILE 72 CO -0.23 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.63 3kxl h ASN 73 N -0.05 1.03 -0.17 1.72 -0.26 -1.09 -1.23 115.58 115.53 3kxl h ASN 73 Ca 0.01 -0.33 -0.07 0.00 -0.56 0.00 0.00 56.30 55.36 3kxl h ASN 73 Cb 0.07 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.05 3kxl h ASN 73 CO -0.03 1.12 -0.15 0.40 -1.06 0.00 0.00 177.43 177.70 3kxl h ILE 74 N 0.92 1.34 0.00 2.81 2.04 -0.85 -2.37 117.51 121.40 3kxl h ILE 74 Ca 0.15 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 3kxl h ILE 74 Cb 0.64 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3kxl h ILE 74 CO 0.04 0.39 -0.09 0.03 0.00 0.00 0.00 178.15 178.52 3kxl h ARG 75 N 0.04 0.00 -0.18 2.37 3.08 -0.77 0.22 114.38 119.14 3kxl h ARG 75 Ca 0.03 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 3kxl h ARG 75 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3kxl h ARG 75 CO 0.04 0.09 -0.71 -0.09 -1.07 0.00 0.00 179.97 178.23 3kxl h ARG 76 N 0.00 0.77 0.07 0.04 9.65 -1.00 -3.31 114.38 120.59 3kxl h ARG 76 Ca -0.00 -0.58 -0.00 0.00 -1.10 0.00 0.00 59.98 58.29 3kxl h ARG 76 Cb 0.38 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3kxl h ARG 76 CO 0.01 1.20 -0.03 0.93 2.80 0.00 0.00 179.97 184.88 3kxl h GLU 77 N 0.54 -0.09 -4.42 0.20 4.39 -0.88 -3.36 114.58 110.96 3kxl h GLU 77 Ca -0.03 0.01 -0.66 0.00 0.34 0.00 0.00 59.36 59.01 3kxl h GLU 77 Cb 1.33 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3kxl h GLU 77 CO 0.15 0.17 2.57 1.28 -1.16 0.00 0.00 179.01 182.02 3kxl n LEU 78 N -4.81 5.23 -0.21 1.33 4.77 0.72 -4.74 117.00 119.29 3kxl n LEU 78 Ca -0.04 -3.48 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 3kxl n LEU 78 Cb 0.15 -1.41 0.24 0.00 -2.33 0.00 0.00 43.42 40.07 3kxl n LEU 78 CO 0.11 0.19 1.23 0.11 -1.33 0.00 0.00 177.39 177.71 3kxl h LYS 79 N 7.19 0.99 0.00 3.23 1.57 -1.72 -3.14 116.57 124.69 3kxl h LYS 79 Ca 0.47 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 3kxl h LYS 79 Cb 0.68 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kxl h LYS 79 CO 1.86 0.66 -1.96 0.41 -0.57 0.00 0.00 179.45 179.85 3kxl n GLY 80 N -1.40 -0.94 3.98 3.86 0.00 -1.26 -5.01 105.19 104.41 3kxl n GLY 80 Ca 0.08 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 3kxl n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxl s LYS 81 N -3.40 3.01 0.17 1.61 1.02 -1.19 -5.10 119.74 115.86 3kxl s LYS 81 Ca -0.08 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 3kxl s LYS 81 Cb 0.13 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 3kxl s LYS 81 CO 0.86 -0.18 0.36 -2.00 -0.92 0.00 0.00 175.35 173.47 3kxl s GLU 82 N -4.39 3.52 -0.01 1.68 2.56 -0.94 -4.92 118.70 116.19 3kxl s GLU 82 Ca 0.48 -0.32 0.02 0.00 0.00 0.00 0.00 54.97 55.15 3kxl s GLU 82 Cb -0.10 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.16 3kxl s GLU 82 CO 0.35 0.45 -0.06 0.54 -0.56 0.00 0.00 175.26 175.98 3kxl s VAL 83 N -1.76 0.50 0.03 3.70 0.11 -1.26 0.05 120.40 121.76 3kxl s VAL 83 Ca 0.38 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 3kxl s VAL 83 Cb -0.12 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3kxl s VAL 83 CO 0.28 0.16 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.41 3kxl s LEU 84 N 0.11 2.27 0.00 2.54 1.43 0.94 -4.94 118.68 121.02 3kxl s LEU 84 Ca -0.01 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3kxl s LEU 84 Cb -0.05 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.23 3kxl s LEU 84 CO -0.00 -0.32 0.00 -0.90 0.23 0.00 0.00 176.35 175.36 3kxl n ASP 85 N 1.40 1.77 -0.10 2.29 5.75 -1.26 -1.04 116.55 125.36 3kxl n ASP 85 Ca -0.23 -1.04 -0.05 0.00 -0.01 0.00 0.00 54.79 53.46 3kxl n ASP 85 Cb 0.56 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.67 3kxl n ASP 85 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3kxl h LYS 86 N 0.00 0.13 -0.15 0.11 3.64 -0.93 -0.27 116.57 119.09 3kxl h LYS 86 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3kxl h LYS 86 Cb 0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kxl h LYS 86 CO 0.01 0.08 0.04 0.82 -2.27 0.00 0.00 179.45 178.14 3kxl h ILE 87 N 0.13 1.20 -0.32 2.00 2.04 -1.92 -0.87 117.51 119.76 3kxl h ILE 87 Ca 0.17 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 3kxl h ILE 87 Cb 0.23 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3kxl h ILE 87 CO -0.27 0.19 -0.09 -0.07 0.00 0.00 0.00 178.15 177.90 3kxl h LEU 88 N 0.06 0.51 0.11 1.44 3.38 -1.92 -1.87 115.31 117.02 3kxl h LEU 88 Ca 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kxl h LEU 88 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kxl h LEU 88 CO -0.00 0.65 -0.05 0.25 0.09 0.00 0.00 178.44 179.37 3kxl h LEU 89 N 0.49 -0.13 -0.63 1.67 5.85 -0.83 -2.06 115.31 119.68 3kxl h LEU 89 Ca 0.09 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kxl h LEU 89 Cb 0.47 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3kxl h LEU 89 CO 0.03 0.19 0.37 -0.07 -0.34 0.00 0.00 178.44 178.62 3kxl h LEU 90 N -0.46 0.58 -1.34 2.25 3.38 -1.08 -0.72 115.31 117.92 3kxl h LEU 90 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kxl h LEU 90 Cb 0.38 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kxl h LEU 90 CO 0.03 0.39 0.17 -0.07 0.09 0.00 0.00 178.44 179.05 3kxl h LEU 91 N 0.71 0.57 -0.73 1.67 3.38 -1.33 0.21 115.31 119.79 3kxl h LEU 91 Ca 0.27 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3kxl h LEU 91 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3kxl h LEU 91 CO -0.13 0.52 -0.51 -0.08 0.09 0.00 0.00 178.44 178.32 3kxl h GLU 92 N 0.62 0.32 -0.19 1.13 4.81 -0.59 -2.30 114.58 118.38 3kxl h GLU 92 Ca 0.15 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 3kxl h GLU 92 Cb 0.13 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3kxl h GLU 92 CO -0.01 0.76 -0.64 0.82 -0.73 0.00 0.00 179.01 179.20 3kxl h ILE 93 N 0.25 1.30 -0.88 2.32 2.04 -0.18 -3.08 117.51 119.28 3kxl h ILE 93 Ca 0.01 -1.88 0.02 0.00 1.00 0.00 0.00 64.86 64.01 3kxl h ILE 93 Cb 0.99 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 3kxl h ILE 93 CO 0.08 0.59 0.58 -0.26 0.00 0.00 0.00 178.15 179.15 3kxl h PHE 94 N 0.52 1.09 0.00 1.37 0.04 -0.45 -1.72 116.94 117.79 3kxl h PHE 94 Ca -0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3kxl h PHE 94 Cb 1.24 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 3kxl h PHE 94 CO 0.07 0.66 -0.10 0.00 -0.60 0.00 0.00 178.31 178.33 3kxl h ALA 95 N 1.35 1.21 0.05 2.45 0.00 -1.36 0.91 119.26 123.87 3kxl h ALA 95 Ca 0.34 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 3kxl h ALA 95 Cb -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kxl h ALA 95 CO -0.10 0.13 -1.12 -0.07 0.00 0.00 0.00 179.25 178.09 3kxl h LEU 96 N 0.00 0.82 -0.16 0.00 3.38 -1.24 -3.21 115.31 114.91 3kxl h LEU 96 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3kxl h LEU 96 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kxl h LEU 96 CO 0.01 1.51 -0.27 1.41 0.09 0.00 0.00 178.44 181.19 3kxl n HIS 97 N -3.80 0.00 -1.73 1.13 8.25 -0.97 -4.87 115.22 113.23 3kxl n HIS 97 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 3kxl n HIS 97 Cb 0.92 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.75 3kxl n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kxl s ALA 98 N -2.77 3.75 -0.16 -1.41 0.00 0.28 -4.80 121.76 116.64 3kxl s ALA 98 Ca 0.18 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 3kxl s ALA 98 Cb 0.19 -3.76 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 3kxl s ALA 98 CO 0.58 -1.24 -0.19 0.41 0.00 0.00 0.00 175.76 175.32 3kxl n GLY 99 N 4.24 -0.25 3.88 0.00 0.00 -1.26 -4.97 105.19 106.83 3kxl n GLY 99 Ca 0.18 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3kxl n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxl s SER 100 N -6.26 6.47 0.31 1.61 1.04 -1.26 -4.98 113.70 110.62 3kxl s SER 100 Ca -0.22 1.10 0.03 0.00 0.48 0.00 0.00 55.95 57.34 3kxl s SER 100 Cb 0.08 -2.31 0.51 0.00 0.10 0.00 0.00 66.02 64.40 3kxl s SER 100 CO 0.29 -0.44 1.82 0.50 0.98 0.00 0.00 173.24 176.39 3kxl h LYS 101 N 1.04 0.56 -0.82 4.02 3.64 -1.99 -2.29 116.57 120.72 3kxl h LYS 101 Ca -0.47 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 3kxl h LYS 101 Cb 1.19 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 3kxl h LYS 101 CO 0.63 0.63 0.48 1.49 -2.27 0.00 0.00 179.45 180.42 3kxl h GLU 102 N 0.53 1.12 -0.39 1.90 4.81 -1.99 -0.89 114.58 119.69 3kxl h GLU 102 Ca 0.11 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3kxl h GLU 102 Cb 0.42 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3kxl h GLU 102 CO 0.02 0.80 0.07 0.00 -0.73 0.00 0.00 179.01 179.17 3kxl h ALA 103 N 1.39 0.51 -0.43 2.92 0.00 -1.73 -0.57 119.26 121.35 3kxl h ALA 103 Ca 0.29 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3kxl h ALA 103 Cb -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3kxl h ALA 103 CO -0.05 0.21 0.05 0.87 0.00 0.00 0.00 179.25 180.32 3kxl h LYS 104 N 0.48 0.16 -0.11 0.00 1.79 -0.88 -1.27 116.57 116.74 3kxl h LYS 104 Ca 0.12 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 3kxl h LYS 104 Cb 0.34 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3kxl h LYS 104 CO 0.01 0.11 0.01 0.52 -1.08 0.00 0.00 179.45 179.01 3kxl h MET 105 N 0.17 0.19 -0.60 3.15 2.86 -0.97 -1.61 114.93 118.11 3kxl h MET 105 Ca 0.21 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 3kxl h MET 105 Cb 0.29 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3kxl h MET 105 CO -0.31 0.41 0.27 1.96 1.06 0.00 0.00 176.91 180.30 3kxl h GLN 106 N -0.06 0.48 -0.32 1.72 1.08 -0.91 0.26 115.11 117.35 3kxl h GLN 106 Ca 0.03 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3kxl h GLN 106 Cb 0.32 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3kxl h GLN 106 CO 0.00 0.32 0.12 0.82 -0.95 0.00 0.00 178.83 179.15 3kxl h ILE 107 N 0.49 1.18 -0.47 2.54 2.04 -1.14 -1.98 117.51 120.18 3kxl h ILE 107 Ca 0.29 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3kxl h ILE 107 Cb 0.29 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3kxl h ILE 107 CO -0.25 0.20 -0.02 -0.08 0.00 0.00 0.00 178.15 178.00 3kxl h GLU 108 N 0.37 0.80 0.10 2.37 4.57 -0.79 -1.61 114.58 120.39 3kxl h GLU 108 Ca 0.11 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3kxl h GLU 108 Cb 0.19 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3kxl h GLU 108 CO -0.01 0.82 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.46 3kxl h LEU 109 N 0.74 -0.28 -1.30 1.64 3.38 -0.26 -0.14 115.31 119.08 3kxl h LEU 109 Ca 0.14 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kxl h LEU 109 Cb 0.48 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3kxl h LEU 109 CO 0.02 -0.16 0.40 0.00 0.09 0.00 0.00 178.44 178.79 3kxl h ALA 110 N 0.65 1.48 -0.56 1.53 0.00 -1.20 -0.95 119.26 120.21 3kxl h ALA 110 Ca 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3kxl h ALA 110 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kxl h ALA 110 CO -0.04 0.46 -0.00 -0.09 0.00 0.00 0.00 179.25 179.58 3kxl h ARG 111 N 0.89 1.00 -0.10 0.00 2.43 -0.84 -2.26 114.38 115.49 3kxl h ARG 111 Ca 0.24 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3kxl h ARG 111 Cb -0.05 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3kxl h ARG 111 CO -0.05 1.00 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.26 3kxl h LEU 112 N 0.88 0.25 -2.54 3.80 3.38 -0.58 -0.90 115.31 119.61 3kxl h LEU 112 Ca 0.16 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3kxl h LEU 112 Cb 0.55 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kxl h LEU 112 CO 0.03 0.66 0.07 0.11 0.09 0.00 0.00 178.44 179.40 3kxl h LYS 113 N -0.15 0.00 0.00 1.13 1.57 -1.17 0.19 116.57 118.15 3kxl h LYS 113 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3kxl h LYS 113 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3kxl h LYS 113 CO 0.02 0.00 -1.42 0.98 -0.57 0.00 0.00 179.45 178.46 3kxl n TYR 114 N -3.55 0.59 -0.06 -1.35 9.36 -0.85 -4.31 117.16 116.99 3kxl n TYR 114 Ca -0.02 0.17 -0.09 0.00 3.32 0.00 0.00 57.90 61.28 3kxl n TYR 114 Cb 0.15 -0.80 -0.15 0.00 -0.63 0.00 0.00 39.34 37.92 3kxl n TYR 114 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3kxl n GLU 115 N -2.53 0.66 0.06 2.98 4.07 -0.29 -4.35 120.64 121.24 3kxl n GLU 115 Ca -0.03 0.14 -0.11 0.00 -0.06 0.00 0.00 57.16 57.10 3kxl n GLU 115 Cb 0.58 -1.65 -0.05 0.00 -0.06 0.00 0.00 31.44 30.26 3kxl n GLU 115 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3kxl h LEU 116 N 0.00 -0.50 -2.49 4.31 -0.00 -0.88 -2.02 115.31 113.73 3kxl h LEU 116 Ca -0.42 0.07 0.02 0.00 -0.00 0.00 0.00 57.88 57.54 3kxl h LEU 116 Cb 2.14 0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 43.00 3kxl h LEU 116 CO 0.05 -0.24 0.11 -0.65 -0.00 0.00 0.00 178.44 177.71 3kxl h PRO 117 N -0.29 0.00 -0.01 1.13 0.11 -1.77 0.71 132.00 131.89 3kxl h PRO 117 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3kxl h PRO 117 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3kxl h PRO 117 CO -0.15 0.00 -0.02 0.82 -0.21 0.00 0.00 178.00 178.44 3kxl h ILE 118 N 0.00 1.45 0.00 4.15 2.04 -1.57 -3.27 117.51 120.32 3kxl h ILE 118 Ca 0.03 -1.35 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 3kxl h ILE 118 Cb 0.24 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3kxl h ILE 118 CO -0.00 0.36 -0.59 -0.29 0.00 0.00 0.00 178.15 177.62 3kxl h ILE 119 N -0.52 1.17 -0.90 -0.67 2.10 -1.20 -3.27 117.51 114.22 3kxl h ILE 119 Ca 0.00 -2.24 0.20 0.00 1.08 0.00 0.00 64.86 63.90 3kxl h ILE 119 Cb 0.59 2.30 -0.11 0.00 -1.09 0.00 0.00 36.82 38.51 3kxl h ILE 119 CO 0.00 0.58 0.45 0.11 -1.08 0.00 0.00 178.15 178.22 3kxl h LYS 120 N 0.00 0.51 -4.05 2.19 6.56 -0.92 -3.29 116.57 117.57 3kxl h LYS 120 Ca -0.01 -0.03 -0.77 0.00 -1.06 0.00 0.00 60.65 58.78 3kxl h LYS 120 Cb 1.25 -0.11 -0.23 0.00 -0.57 0.00 0.00 32.23 32.57 3kxl h LYS 120 CO 0.08 0.34 0.95 0.39 -2.06 0.00 0.00 179.45 179.15 3kxl n GLU 121 N -4.95 3.52 0.00 3.15 1.02 -1.23 -5.10 120.64 117.05 3kxl n GLU 121 Ca 0.21 -4.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.20 3kxl n GLU 121 Cb 0.59 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 3kxl n GLU 121 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kxl n THR 122 N 3.49 0.00 0.00 2.62 -1.04 -1.24 -5.01 114.28 113.10 3kxl n THR 122 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 3kxl n THR 122 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 3kxl n THR 122 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3kxl n ASN 178 N -1.51 -0.98 -4.68 8.00 2.85 -1.26 -5.22 115.26 112.46 3kxl n ASN 178 Ca 0.00 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.03 3kxl n ASN 178 Cb 0.00 0.60 -0.04 0.00 1.24 0.00 0.00 39.78 41.58 3kxl n ASN 178 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3kxl n ILE 179 N 0.66 0.49 -2.19 -1.44 5.41 -1.26 -4.95 119.36 116.08 3kxl n ILE 179 Ca 0.00 -0.09 -0.36 0.00 1.00 0.00 0.00 62.75 63.31 3kxl n ILE 179 Cb 0.00 -2.03 0.01 0.00 -0.71 0.00 0.00 39.64 36.91 3kxl n ILE 179 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3kxl s PRO 180 N 3.34 3.29 -0.21 0.38 0.02 -1.26 -4.84 135.00 135.71 3kxl s PRO 180 Ca 0.86 1.69 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 3kxl s PRO 180 Cb -0.56 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 31.96 3kxl s PRO 180 CO 0.43 -0.92 -0.12 -1.12 -0.33 0.00 0.00 177.00 174.94 3kxl s SER 181 N -1.67 3.80 -0.23 2.53 0.01 -1.26 -1.48 113.70 115.39 3kxl s SER 181 Ca 0.73 -0.69 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 3kxl s SER 181 Cb -0.26 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 3kxl s SER 181 CO 0.29 -0.05 0.05 -0.63 0.41 0.00 0.00 173.24 173.31 3kxl s ILE 182 N 1.33 4.21 -0.23 1.44 -1.09 0.34 -1.02 121.20 126.19 3kxl s ILE 182 Ca 0.03 -0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.13 3kxl s ILE 182 Cb -0.15 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 3kxl s ILE 182 CO -0.08 0.37 0.21 -0.83 -1.23 0.00 0.00 174.94 173.38 3kxl s GLY 183 N 1.39 2.00 -0.33 6.18 0.00 -0.21 -0.57 107.32 115.78 3kxl s GLY 183 Ca 0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 3kxl s GLY 183 CO 0.03 0.49 0.62 -0.42 0.00 0.00 0.00 173.10 173.81 3kxl s ILE 184 N 1.13 4.92 0.28 0.90 1.01 0.47 -0.67 121.20 129.25 3kxl s ILE 184 Ca 0.10 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.52 3kxl s ILE 184 Cb -0.14 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3kxl s ILE 184 CO 0.05 -0.23 -0.13 0.68 0.00 0.00 0.00 174.94 175.32 3kxl s VAL 185 N 2.63 2.04 0.00 2.92 -7.23 -0.45 -2.61 120.40 117.71 3kxl s VAL 185 Ca 0.24 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3kxl s VAL 185 Cb -0.15 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.42 3kxl s VAL 185 CO 0.13 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 3kxl n GLY 186 N -0.60 3.51 3.74 2.32 0.00 -1.26 -1.56 105.19 111.34 3kxl n GLY 186 Ca -0.06 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3kxl n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxl s TYR 187 N -2.00 2.29 0.61 1.61 1.51 -1.26 -1.25 117.35 118.86 3kxl s TYR 187 Ca 0.00 1.62 -0.18 0.00 -1.01 0.00 0.00 57.07 57.49 3kxl s TYR 187 Cb 0.00 -3.20 -0.03 0.00 -0.11 0.00 0.00 41.96 38.63 3kxl s TYR 187 CO 0.00 -2.12 1.23 0.99 -1.11 0.00 0.00 175.55 174.54 3kxl s THR 188 N -2.61 2.48 -1.32 -0.71 2.01 -1.22 -2.71 115.64 111.56 3kxl s THR 188 Ca 0.65 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.95 3kxl s THR 188 Cb -0.21 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3kxl s THR 188 CO 0.52 -0.07 0.00 0.59 -0.69 0.00 0.00 174.62 174.97 3kxl n ASN 189 N -1.71 -4.46 0.01 3.53 5.03 -1.26 -4.84 115.26 111.56 3kxl n ASN 189 Ca 0.14 0.27 0.12 0.00 0.87 0.00 0.00 54.58 55.97 3kxl n ASN 189 Cb 0.49 -3.17 0.14 0.00 -1.02 0.00 0.00 39.78 36.23 3kxl n ASN 189 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3kxl n SER 190 N -0.12 0.62 0.00 6.41 3.41 -1.10 -4.81 113.62 118.04 3kxl n SER 190 Ca -0.13 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 3kxl n SER 190 Cb 0.45 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3kxl n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kxl n GLY 191 N 1.47 0.89 0.10 5.00 0.00 -1.26 -4.41 105.19 106.98 3kxl n GLY 191 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 3kxl n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxl h LYS 192 N 4.06 -0.07 -0.77 1.61 1.57 -1.92 0.52 116.57 121.57 3kxl h LYS 192 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3kxl h LYS 192 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 3kxl h LYS 192 CO 0.00 -0.05 0.46 1.15 -0.57 0.00 0.00 179.45 180.45 3kxl h THR 193 N -0.07 1.02 -0.61 -0.16 2.02 -1.96 0.21 112.91 113.36 3kxl h THR 193 Ca 0.02 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.94 3kxl h THR 193 Cb 0.12 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 3kxl h THR 193 CO -0.14 0.16 0.36 0.28 0.37 0.00 0.00 175.52 176.55 3kxl h SER 194 N 0.85 0.57 -0.09 4.18 0.02 -1.85 0.29 113.55 117.53 3kxl h SER 194 Ca 0.34 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3kxl h SER 194 Cb 0.16 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3kxl h SER 194 CO -0.17 0.40 0.05 0.25 -1.14 0.00 0.00 176.83 176.22 3kxl h LEU 195 N 0.70 0.11 -0.41 5.07 6.46 0.13 -0.42 115.31 126.95 3kxl h LEU 195 Ca 0.25 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 3kxl h LEU 195 Cb 0.06 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 3kxl h LEU 195 CO -0.12 0.14 0.12 0.15 -0.62 0.00 0.00 178.44 178.12 3kxl h PHE 196 N 0.06 0.21 -0.59 1.25 3.57 -0.05 -0.93 116.94 120.47 3kxl h PHE 196 Ca 0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3kxl h PHE 196 Cb 0.06 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3kxl h PHE 196 CO -0.05 0.07 0.10 -0.91 -2.23 0.00 0.00 178.31 175.29 3kxl h ASN 197 N 0.27 0.89 -0.52 0.41 2.35 -0.27 -0.54 115.58 118.16 3kxl h ASN 197 Ca 0.19 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3kxl h ASN 197 Cb 0.20 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3kxl h ASN 197 CO -0.21 0.89 -0.02 0.28 -1.65 0.00 0.00 177.43 176.71 3kxl h SER 198 N 0.89 0.92 -0.16 5.81 0.02 -0.58 0.27 113.55 120.71 3kxl h SER 198 Ca 0.18 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 3kxl h SER 198 Cb 0.38 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3kxl h SER 198 CO 0.01 1.02 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.28 3kxl h LEU 199 N 0.81 0.60 -0.44 5.07 3.38 -1.01 -3.23 115.31 120.48 3kxl h LEU 199 Ca 0.14 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 3kxl h LEU 199 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kxl h LEU 199 CO 0.03 1.06 -0.52 0.71 0.09 0.00 0.00 178.44 179.81 3kxl h THR 200 N 0.17 1.02 0.00 0.22 1.35 -1.10 -3.48 112.91 111.09 3kxl h THR 200 Ca 0.00 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 3kxl h THR 200 Cb 0.97 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 3kxl h THR 200 CO 0.08 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 3kxl n GLY 201 N 0.77 0.76 3.92 5.82 0.00 0.78 -5.03 105.19 112.21 3kxl n GLY 201 Ca 0.01 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 3kxl n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxl s LEU 202 N 0.00 4.03 0.00 0.99 1.43 -0.25 -5.01 118.68 119.87 3kxl s LEU 202 Ca 0.00 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3kxl s LEU 202 Cb 0.00 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3kxl s LEU 202 CO 0.00 -0.24 0.61 1.07 0.23 0.00 0.00 176.35 178.02 3kxl n THR 203 N -1.28 0.27 -2.74 5.49 5.66 -1.26 -4.56 114.28 115.86 3kxl n THR 203 Ca -0.03 -0.27 -0.07 0.00 -3.05 0.00 0.00 64.05 60.63 3kxl n THR 203 Cb 0.55 0.91 0.04 0.00 -1.55 0.00 0.00 70.33 70.28 3kxl n THR 203 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3kxl n SER 215 N -0.13 -2.87 0.26 1.09 7.64 -1.26 -5.16 113.62 113.18 3kxl n SER 215 Ca 0.00 -3.09 0.13 0.00 1.01 0.00 0.00 58.87 56.92 3kxl n SER 215 Cb 0.42 1.73 0.67 0.00 -1.01 0.00 0.00 64.21 66.02 3kxl n SER 215 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kxl h PRO 216 N 4.13 0.00 0.00 1.43 0.11 -2.03 -3.46 132.00 132.18 3kxl h PRO 216 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3kxl h PRO 216 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kxl h PRO 216 CO 0.23 0.14 0.00 1.63 -0.21 0.00 0.00 178.00 179.78 3kxl n LYS 217 N -3.53 0.00 -3.39 1.05 4.01 -1.26 -4.85 118.16 110.19 3kxl n LYS 217 Ca -0.01 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.73 3kxl n LYS 217 Cb 0.28 -3.49 -0.07 0.00 -0.51 0.00 0.00 35.03 31.25 3kxl n LYS 217 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3kxl s ARG 218 N -0.32 0.40 -0.05 1.97 1.70 -1.26 -0.52 118.95 120.87 3kxl s ARG 218 Ca 0.00 0.77 -0.02 0.00 -0.47 0.00 0.00 55.73 56.01 3kxl s ARG 218 Cb 0.00 -0.06 0.03 0.00 -0.57 0.00 0.00 34.95 34.36 3kxl s ARG 218 CO 0.00 -0.54 0.10 -0.47 -1.08 0.00 0.00 175.30 173.31 3kxl s TYR 219 N 2.64 -0.08 -0.15 5.89 5.04 -0.54 -4.97 117.35 125.17 3kxl s TYR 219 Ca 0.11 0.33 -0.25 0.00 -2.44 0.00 0.00 57.07 54.82 3kxl s TYR 219 Cb -0.15 -0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.00 3kxl s TYR 219 CO -0.16 -0.13 0.81 0.00 -1.34 0.00 0.00 175.55 174.72 3kxl s ALA 220 N 1.13 3.49 0.02 3.97 0.00 -1.26 -2.17 121.76 126.94 3kxl s ALA 220 Ca -0.09 0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3kxl s ALA 220 Cb -0.12 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3kxl s ALA 220 CO -0.05 -0.57 -0.18 0.96 0.00 0.00 0.00 175.76 175.92 3kxl s ILE 221 N 1.95 2.80 -0.25 0.00 -4.36 0.52 -4.87 121.20 116.99 3kxl s ILE 221 Ca 0.38 -1.07 -0.27 0.00 -0.26 0.00 0.00 60.65 59.43 3kxl s ILE 221 Cb -0.17 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.40 3kxl s ILE 221 CO 0.13 0.41 0.96 -2.84 0.24 0.00 0.00 174.94 173.84 3kxl s PRO 222 N -1.21 4.19 -0.27 0.37 0.02 -1.26 -1.17 135.00 135.66 3kxl s PRO 222 Ca 0.14 1.13 -0.04 0.00 0.02 0.00 0.00 61.00 62.25 3kxl s PRO 222 Cb -0.10 -3.66 0.02 0.00 0.02 0.00 0.00 34.50 30.78 3kxl s PRO 222 CO 0.04 -0.63 0.01 0.42 -0.33 0.00 0.00 177.00 176.50 3kxl s ILE 223 N 3.12 3.35 0.00 2.83 1.01 0.99 -4.94 121.20 127.56 3kxl s ILE 223 Ca 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3kxl s ILE 223 Cb -0.15 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3kxl s ILE 223 CO 0.08 0.12 0.00 0.59 0.00 0.00 0.00 174.94 175.73 3kxl n ASN 224 N 4.75 0.00 -0.47 3.58 5.03 -1.26 -1.12 115.26 125.76 3kxl n ASN 224 Ca -0.15 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.36 3kxl n ASN 224 Cb 0.47 0.00 0.13 0.00 -1.02 0.00 0.00 39.78 39.36 3kxl n ASN 224 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3kxl n ASN 225 N 8.68 1.64 -4.13 6.41 4.05 -1.26 -5.03 115.26 125.61 3kxl n ASN 225 Ca 0.00 -3.08 -0.26 0.00 0.45 0.00 0.00 54.58 51.70 3kxl n ASN 225 Cb 0.00 -0.41 -0.16 0.00 1.23 0.00 0.00 39.78 40.44 3kxl n ASN 225 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3kxl s ARG 226 N -2.25 1.73 -0.21 1.20 0.52 -0.28 -5.12 118.95 114.55 3kxl s ARG 226 Ca 0.30 -0.60 -0.18 0.00 -0.52 0.00 0.00 55.73 54.72 3kxl s ARG 226 Cb 0.28 -1.52 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 3kxl s ARG 226 CO -0.03 0.25 0.49 0.21 0.02 0.00 0.00 175.30 176.24 3kxl s LYS 227 N 0.00 4.17 -0.08 3.54 2.20 -1.26 -0.01 119.74 128.30 3kxl s LYS 227 Ca -0.03 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 3kxl s LYS 227 Cb -0.11 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 3kxl s LYS 227 CO 0.02 -0.14 -0.16 0.42 -0.36 0.00 0.00 175.35 175.13 3kxl s ILE 228 N 1.63 1.43 -0.29 5.43 1.01 -0.32 -4.36 121.20 125.72 3kxl s ILE 228 Ca 0.22 -0.64 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 3kxl s ILE 228 Cb -0.15 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3kxl s ILE 228 CO 0.09 0.42 0.83 -0.32 0.00 0.00 0.00 174.94 175.96 3kxl s MET 229 N 0.60 4.02 -0.16 2.79 -2.45 -0.55 -0.36 119.30 123.19 3kxl s MET 229 Ca -0.15 0.72 -0.11 0.00 -1.25 0.00 0.00 55.69 54.90 3kxl s MET 229 Cb -0.16 -3.71 -0.05 0.00 1.25 0.00 0.00 34.83 32.16 3kxl s MET 229 CO 0.05 -0.67 0.19 -0.51 1.05 0.00 0.00 175.02 175.13 3kxl s LEU 230 N 3.02 4.28 -0.22 4.11 1.43 -0.92 -0.50 118.68 129.88 3kxl s LEU 230 Ca 0.34 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3kxl s LEU 230 Cb -0.14 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 43.94 3kxl s LEU 230 CO 0.12 0.22 -0.08 -0.69 0.23 0.00 0.00 176.35 176.15 3kxl s VAL 231 N -0.03 1.62 -0.91 -1.59 1.01 0.27 -1.46 120.40 119.31 3kxl s VAL 231 Ca 0.13 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 3kxl s VAL 231 Cb -0.12 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.54 3kxl s VAL 231 CO 0.02 0.05 1.31 -0.62 0.00 0.00 0.00 175.10 175.86 3kxl s ASP 232 N 1.38 6.42 0.98 3.32 2.15 0.32 -0.39 116.67 130.84 3kxl s ASP 232 Ca -0.04 -1.29 -0.12 0.00 0.43 0.00 0.00 52.55 51.53 3kxl s ASP 232 Cb -0.18 -2.52 0.18 0.00 -0.30 0.00 0.00 42.92 40.10 3kxl s ASP 232 CO -0.07 -1.50 1.09 0.42 -0.17 0.00 0.00 175.17 174.94 3kxl s THR 233 N 4.68 2.25 0.13 1.71 -4.23 -1.07 -4.88 115.64 114.22 3kxl s THR 233 Ca 0.39 0.08 -0.31 0.00 -1.18 0.00 0.00 61.69 60.67 3kxl s THR 233 Cb -0.04 -2.53 -0.10 0.00 1.34 0.00 0.00 72.50 71.17 3kxl s THR 233 CO -0.03 -0.11 1.63 0.54 -0.54 0.00 0.00 174.62 176.12 3kxl s VAL 234 N -2.92 2.74 0.71 2.29 0.11 -1.26 -4.91 120.40 117.16 3kxl s VAL 234 Ca 0.65 0.40 -0.16 0.00 -2.93 0.00 0.00 61.98 59.95 3kxl s VAL 234 Cb -0.19 -3.26 0.03 0.00 -1.53 0.00 0.00 36.38 31.43 3kxl s VAL 234 CO 0.58 0.02 1.22 -0.44 -3.33 0.00 0.00 175.10 173.14 3kxl s SER 235 N 1.75 4.30 0.57 3.54 0.01 -1.26 -4.83 113.70 117.78 3kxl s SER 235 Ca 0.73 2.39 -0.20 0.00 1.31 0.00 0.00 55.95 60.18 3kxl s SER 235 Cb -0.43 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.17 3kxl s SER 235 CO 0.32 -2.20 1.22 -0.36 0.41 0.00 0.00 173.24 172.64 3kxl s PHE 236 N -1.90 2.45 -0.06 2.43 0.08 -0.38 -4.84 117.98 115.76 3kxl s PHE 236 Ca 0.75 1.50 0.02 0.00 0.12 0.00 0.00 56.93 59.33 3kxl s PHE 236 Cb -0.30 -3.51 0.01 0.00 -0.57 0.00 0.00 43.02 38.66 3kxl s PHE 236 CO 0.44 -2.20 -0.11 0.42 -0.10 0.00 0.00 175.22 173.68 3kxl s ILE 237 N -1.55 0.99 -0.10 0.64 1.01 -1.26 -3.45 121.20 117.48 3kxl s ILE 237 Ca 0.75 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.76 3kxl s ILE 237 Cb -0.31 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 3kxl s ILE 237 CO 0.35 0.32 0.72 -0.13 0.00 0.00 0.00 174.94 176.20 3kxl s ARG 238 N 0.64 4.39 -0.84 2.79 0.52 -1.26 -4.25 118.95 120.94 3kxl s ARG 238 Ca -0.13 0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 55.93 3kxl s ARG 238 Cb -0.15 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 3kxl s ARG 238 CO 0.03 -0.04 0.76 0.41 0.02 0.00 0.00 175.30 176.47 3kxl n GLY 239 N 3.24 -1.01 3.71 -3.53 0.00 -1.26 -4.95 105.19 101.39 3kxl n GLY 239 Ca -0.00 0.46 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 3kxl n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kxl s ILE 240 N -3.23 3.98 0.18 -0.61 1.01 -1.26 -4.97 121.20 116.30 3kxl s ILE 240 Ca 0.27 1.41 -0.33 0.00 0.00 0.00 0.00 60.65 62.00 3kxl s ILE 240 Cb -0.04 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 3kxl s ILE 240 CO 0.66 0.09 1.53 -2.65 0.00 0.00 0.00 174.94 174.57 3kxl n PRO 241 N 4.14 2.09 -0.20 2.79 -0.02 -1.26 -4.86 135.00 137.67 3kxl n PRO 241 Ca 0.10 0.75 0.20 0.00 -2.02 0.00 0.00 63.50 62.53 3kxl n PRO 241 Cb 0.46 -2.49 0.56 0.00 -0.02 0.00 0.00 33.50 32.01 3kxl n PRO 241 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kxl h PRO 242 N 5.42 0.30 -0.61 0.52 0.11 -2.01 -1.48 132.00 134.25 3kxl h PRO 242 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kxl h PRO 242 Cb 1.26 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3kxl h PRO 242 CO 0.85 0.20 0.40 1.96 -0.21 0.00 0.00 178.00 181.20 3kxl h GLN 243 N 0.31 0.81 -0.47 1.05 7.50 -2.00 -2.98 115.11 119.33 3kxl h GLN 243 Ca 0.43 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.52 3kxl h GLN 243 Cb 1.19 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.54 3kxl h GLN 243 CO -0.13 0.54 0.00 0.44 -1.50 0.00 0.00 178.83 178.19 3kxl n ILE 244 N -4.44 1.41 0.01 2.54 -5.35 -0.57 -4.60 119.36 108.36 3kxl n ILE 244 Ca 0.06 -1.19 -0.11 0.00 -0.27 0.00 0.00 62.75 61.24 3kxl n ILE 244 Cb 0.05 0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.19 3kxl n ILE 244 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kxl h VAL 245 N 2.83 0.99 -0.30 7.28 2.07 -1.40 -1.43 116.25 126.30 3kxl h VAL 245 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kxl h VAL 245 Cb 1.06 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3kxl h VAL 245 CO 0.09 0.02 0.16 0.44 0.02 0.00 0.00 177.57 178.29 3kxl h ASP 246 N 0.08 0.37 -0.65 0.57 5.19 -1.82 -2.42 116.42 117.75 3kxl h ASP 246 Ca 0.03 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3kxl h ASP 246 Cb 0.01 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 3kxl h ASP 246 CO -0.03 0.36 0.43 0.00 -3.12 0.00 0.00 179.24 176.88 3kxl h ALA 247 N 1.03 1.61 0.69 3.45 0.00 -1.79 -2.35 119.26 121.89 3kxl h ALA 247 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kxl h ALA 247 Cb 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kxl h ALA 247 CO -0.02 0.34 -0.33 0.35 0.00 0.00 0.00 179.25 179.59 3kxl h PHE 248 N 0.81 -0.85 -0.68 0.00 3.57 -0.88 -2.61 116.94 116.29 3kxl h PHE 248 Ca 0.25 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3kxl h PHE 248 Cb 0.01 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3kxl h PHE 248 CO -0.00 -0.51 0.41 0.74 -2.23 0.00 0.00 178.31 176.72 3kxl h PHE 249 N -1.19 0.89 -0.33 0.41 0.04 -1.37 0.14 116.94 115.53 3kxl h PHE 249 Ca -0.09 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 3kxl h PHE 249 Cb 0.73 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3kxl h PHE 249 CO 0.00 0.59 -0.05 0.28 -0.60 0.00 0.00 178.31 178.54 3kxl h VAL 250 N 0.94 1.21 -0.06 -0.55 2.07 -1.49 0.36 116.25 118.73 3kxl h VAL 250 Ca 0.25 -0.88 -0.21 0.00 0.82 0.00 0.00 66.70 66.68 3kxl h VAL 250 Cb -0.04 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3kxl h VAL 250 CO -0.05 0.29 -0.85 0.74 0.02 0.00 0.00 177.57 177.73 3kxl h THR 251 N 0.49 1.36 0.00 2.57 2.02 -0.75 -3.27 112.91 115.32 3kxl h THR 251 Ca 0.10 -2.23 -0.18 0.00 0.77 0.00 0.00 66.41 64.87 3kxl h THR 251 Cb 0.39 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 3kxl h THR 251 CO 0.02 0.68 -0.86 0.25 0.37 0.00 0.00 175.52 175.97 3kxl h LEU 252 N 0.32 0.00 -1.65 2.58 5.85 -0.43 -3.25 115.31 118.74 3kxl h LEU 252 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kxl h LEU 252 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3kxl h LEU 252 CO 0.15 0.86 0.11 0.28 -0.34 0.00 0.00 178.44 179.51 3kxl h SER 253 N 0.00 0.00 0.22 1.25 0.02 -0.33 0.92 113.55 115.63 3kxl h SER 253 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3kxl h SER 253 Cb 1.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 3kxl h SER 253 CO 0.11 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.18 3kxl n GLU 254 N -2.43 0.15 0.24 3.45 1.02 -1.23 -1.21 120.64 120.63 3kxl n GLU 254 Ca -0.02 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.82 3kxl n GLU 254 Cb 0.15 -1.91 0.49 0.00 -0.02 0.00 0.00 31.44 30.15 3kxl n GLU 254 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kxl h ALA 255 N 2.08 1.00 -0.60 0.62 0.00 -1.08 -2.99 119.26 118.28 3kxl h ALA 255 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3kxl h ALA 255 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kxl h ALA 255 CO 0.00 0.17 0.00 0.87 0.00 0.00 0.00 179.25 180.29 3kxl h LYS 256 N 0.00 1.06 0.00 0.00 1.57 -1.37 -2.76 116.57 115.06 3kxl h LYS 256 Ca -0.00 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 3kxl h LYS 256 Cb 0.71 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3kxl h LYS 256 CO 0.02 1.03 -0.21 1.88 -0.57 0.00 0.00 179.45 181.59 3kxl h TYR 257 N 0.97 0.00 -3.08 -1.35 0.05 -1.67 -3.44 116.97 108.45 3kxl h TYR 257 Ca 0.17 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.40 3kxl h TYR 257 Cb 0.55 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.38 3kxl h TYR 257 CO 0.04 0.21 0.79 0.43 -1.05 0.00 0.00 178.16 178.59 3kxl n SER 258 N -4.17 3.50 0.20 3.88 7.64 -1.04 -4.89 113.62 118.74 3kxl n SER 258 Ca -0.02 1.14 0.05 0.00 1.01 0.00 0.00 58.87 61.05 3kxl n SER 258 Cb 0.28 -1.54 0.43 0.00 -1.01 0.00 0.00 64.21 62.37 3kxl n SER 258 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3kxl h ASP 259 N 4.61 0.00 -5.07 6.43 3.32 -1.37 -3.46 116.42 120.89 3kxl h ASP 259 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3kxl h ASP 259 Cb 1.24 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.67 3kxl h ASP 259 CO 0.78 0.31 0.01 0.00 -1.72 0.00 0.00 179.24 178.62 3kxl s ALA 260 N -4.16 -1.05 0.14 3.45 0.00 -1.09 -4.49 121.76 114.56 3kxl s ALA 260 Ca -0.03 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.02 3kxl s ALA 260 Cb 0.14 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3kxl s ALA 260 CO 0.69 -0.71 -0.18 -0.51 0.00 0.00 0.00 175.76 175.06 3kxl s LEU 261 N -2.81 2.40 -0.27 0.00 1.43 -0.88 -1.05 118.68 117.51 3kxl s LEU 261 Ca 0.04 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3kxl s LEU 261 Cb 0.01 -0.78 0.06 0.00 0.03 0.00 0.00 46.19 45.50 3kxl s LEU 261 CO -0.10 -0.04 -0.10 -0.63 0.23 0.00 0.00 176.35 175.72 3kxl s ILE 262 N -1.89 2.22 -0.50 -0.59 1.01 0.16 -1.09 121.20 120.52 3kxl s ILE 262 Ca 0.13 -1.65 -0.23 0.00 0.00 0.00 0.00 60.65 58.89 3kxl s ILE 262 Cb -0.06 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.12 3kxl s ILE 262 CO 0.05 -0.06 0.84 -0.22 0.00 0.00 0.00 174.94 175.56 3kxl s LEU 263 N 1.10 4.26 -0.15 2.97 2.96 -0.20 -1.34 118.68 128.29 3kxl s LEU 263 Ca -0.08 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.36 3kxl s LEU 263 Cb -0.20 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 3kxl s LEU 263 CO -0.05 -1.04 0.53 -0.69 -1.32 0.00 0.00 176.35 173.78 3kxl s VAL 264 N 3.50 5.13 -0.04 1.68 1.01 -0.60 -0.75 120.40 130.33 3kxl s VAL 264 Ca 0.29 1.04 0.05 0.00 0.00 0.00 0.00 61.98 63.35 3kxl s VAL 264 Cb -0.13 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3kxl s VAL 264 CO 0.20 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.75 3kxl s ILE 265 N 1.14 1.41 -0.19 2.22 -1.09 -0.67 -4.44 121.20 119.57 3kxl s ILE 265 Ca 0.27 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.68 3kxl s ILE 265 Cb -0.16 -1.20 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 3kxl s ILE 265 CO 0.11 0.40 1.35 -0.62 -1.23 0.00 0.00 174.94 174.95 3kxl s ASP 266 N -0.07 6.79 0.00 3.58 2.15 -1.26 -1.23 116.67 126.63 3kxl s ASP 266 Ca -0.01 1.62 0.29 0.00 0.43 0.00 0.00 52.55 54.88 3kxl s ASP 266 Cb -0.10 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.27 3kxl s ASP 266 CO 0.01 -0.91 1.95 -1.54 -0.17 0.00 0.00 175.17 174.52 3kxl n SER 267 N 7.11 0.00 0.22 -0.34 3.41 -0.81 -3.49 113.62 119.72 3kxl n SER 267 Ca 0.15 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 3kxl n SER 267 Cb 0.45 -0.45 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 3kxl n SER 267 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3kxl h THR 268 N 0.00 0.00 -4.20 6.66 1.35 -1.81 -3.46 112.91 111.46 3kxl h THR 268 Ca 0.00 -0.64 -0.53 0.00 -0.55 0.00 0.00 66.41 64.68 3kxl h THR 268 Cb 0.46 1.61 0.16 0.00 -1.73 0.00 0.00 68.15 68.65 3kxl h THR 268 CO 0.00 0.00 0.36 -0.36 -0.25 0.00 0.00 175.52 175.27 3kxl s PHE 269 N -3.40 2.00 1.01 4.73 0.08 -1.23 -5.03 117.98 116.14 3kxl s PHE 269 Ca 0.05 1.63 -0.16 0.00 0.12 0.00 0.00 56.93 58.57 3kxl s PHE 269 Cb 0.08 -3.43 0.21 0.00 -0.57 0.00 0.00 43.02 39.31 3kxl s PHE 269 CO 0.58 -2.61 1.25 -1.54 -0.10 0.00 0.00 175.22 172.79 3kxl s SER 270 N -2.21 2.66 0.11 1.36 1.04 -1.26 -4.72 113.70 110.68 3kxl s SER 270 Ca 0.72 0.43 -0.22 0.00 0.48 0.00 0.00 55.95 57.37 3kxl s SER 270 Cb -0.27 -0.58 -0.08 0.00 0.10 0.00 0.00 66.02 65.18 3kxl s SER 270 CO 0.48 -3.03 1.71 -0.33 0.98 0.00 0.00 173.24 173.05 3kxl h GLU 271 N -1.84 -0.06 -0.72 4.02 5.08 -1.98 0.20 114.58 119.27 3kxl h GLU 271 Ca -0.45 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3kxl h GLU 271 Cb 1.26 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 3kxl h GLU 271 CO 0.40 -0.04 0.37 -0.91 -1.00 0.00 0.00 179.01 177.83 3kxl h ASN 272 N -0.06 0.50 0.21 1.42 -0.26 -1.99 -0.67 115.58 114.73 3kxl h ASN 272 Ca 0.05 0.05 -0.21 0.00 -0.56 0.00 0.00 56.30 55.64 3kxl h ASN 272 Cb 0.14 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3kxl h ASN 272 CO -0.12 0.29 -0.83 -0.07 -1.06 0.00 0.00 177.43 175.64 3kxl h LEU 273 N 0.64 0.59 -0.08 1.61 3.38 -1.84 -2.10 115.31 117.51 3kxl h LEU 273 Ca 0.35 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kxl h LEU 273 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kxl h LEU 273 CO -0.25 1.20 0.04 -0.07 0.09 0.00 0.00 178.44 179.45 3kxl h LEU 274 N 0.31 0.11 -0.87 1.67 3.38 -0.15 0.29 115.31 120.04 3kxl h LEU 274 Ca -0.06 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kxl h LEU 274 Cb 1.44 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 3kxl h LEU 274 CO 0.15 0.18 0.57 0.40 0.09 0.00 0.00 178.44 179.83 3kxl h ILE 275 N 0.03 1.19 -0.12 1.22 2.04 -1.16 -0.92 117.51 119.77 3kxl h ILE 275 Ca 0.03 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3kxl h ILE 275 Cb 0.10 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3kxl h ILE 275 CO -0.00 0.21 0.03 -0.08 0.00 0.00 0.00 178.15 178.31 3kxl h GLU 276 N 1.14 0.19 -0.63 2.37 4.81 -1.05 -1.62 114.58 119.79 3kxl h GLU 276 Ca 0.33 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 3kxl h GLU 276 Cb -0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3kxl h GLU 276 CO -0.09 0.34 0.37 1.15 -0.73 0.00 0.00 179.01 180.05 3kxl h THR 277 N 0.01 1.19 -0.00 0.32 2.02 -0.16 0.14 112.91 116.42 3kxl h THR 277 Ca 0.04 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3kxl h THR 277 Cb 0.23 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3kxl h THR 277 CO -0.00 0.20 0.00 -0.07 0.37 0.00 0.00 175.52 176.02 3kxl h LEU 278 N 0.85 0.00 -1.14 2.58 3.38 -1.13 0.31 115.31 120.16 3kxl h LEU 278 Ca 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kxl h LEU 278 Cb -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3kxl h LEU 278 CO -0.04 0.06 0.51 1.56 0.09 0.00 0.00 178.44 180.61 3kxl h GLN 279 N -0.05 1.09 -0.19 1.13 4.20 -1.01 -1.25 115.11 119.02 3kxl h GLN 279 Ca 0.00 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 3kxl h GLN 279 Cb 0.06 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3kxl h GLN 279 CO -0.00 0.75 -0.30 0.77 -0.67 0.00 0.00 178.83 179.37 3kxl h SER 280 N 1.11 0.60 -0.11 1.46 0.02 -0.44 -1.36 113.55 114.83 3kxl h SER 280 Ca 0.29 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3kxl h SER 280 Cb -0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3kxl h SER 280 CO -0.06 1.01 0.06 0.28 -1.14 0.00 0.00 176.83 176.99 3kxl h SER 281 N 0.21 0.13 -0.16 3.07 0.02 -0.10 -1.70 113.55 115.03 3kxl h SER 281 Ca 0.02 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3kxl h SER 281 Cb 0.89 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3kxl h SER 281 CO 0.07 0.15 -0.30 -0.26 -1.14 0.00 0.00 176.83 175.34 3kxl h PHE 282 N 0.10 0.74 -0.76 3.45 0.04 -1.31 -2.42 116.94 116.79 3kxl h PHE 282 Ca 0.04 -0.19 0.07 0.00 2.80 0.00 0.00 57.97 60.69 3kxl h PHE 282 Cb 0.04 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 37.96 3kxl h PHE 282 CO -0.05 0.87 0.44 1.49 -0.60 0.00 0.00 178.31 180.46 3kxl h GLU 283 N 0.55 0.77 -0.45 1.51 4.81 -0.98 -0.61 114.58 120.18 3kxl h GLU 283 Ca 0.07 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3kxl h GLU 283 Cb 0.80 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3kxl h GLU 283 CO 0.07 0.51 -0.10 0.82 -0.73 0.00 0.00 179.01 179.58 3kxl h ILE 284 N 0.79 1.26 -0.51 2.32 2.04 -1.11 -1.20 117.51 121.10 3kxl h ILE 284 Ca 0.34 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 3kxl h ILE 284 Cb 0.22 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3kxl h ILE 284 CO -0.19 0.40 0.10 -0.07 0.00 0.00 0.00 178.15 178.39 3kxl h LEU 285 N 0.73 0.73 -0.40 1.44 3.38 -0.77 -1.62 115.31 118.80 3kxl h LEU 285 Ca 0.12 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3kxl h LEU 285 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kxl h LEU 285 CO 0.04 0.74 -0.18 0.03 0.09 0.00 0.00 178.44 179.16 3kxl h ARG 286 N 0.75 0.83 -0.05 1.13 3.08 -0.93 0.49 114.38 119.67 3kxl h ARG 286 Ca 0.16 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3kxl h ARG 286 Cb 0.31 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kxl h ARG 286 CO 0.00 0.99 0.05 1.49 -1.07 0.00 0.00 179.97 181.43 3kxl h GLU 287 N 0.64 0.00 -0.01 0.04 4.81 -0.32 0.33 114.58 120.07 3kxl h GLU 287 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kxl h GLU 287 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3kxl h GLU 287 CO 0.06 0.00 -0.72 0.44 -0.73 0.00 0.00 179.01 178.06 3kxl n ILE 288 N -4.07 0.00 -1.16 2.32 -5.35 -0.74 -4.99 119.36 105.37 3kxl n ILE 288 Ca -0.02 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3kxl n ILE 288 Cb 0.15 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 3kxl n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxl n GLY 289 N 1.46 0.79 3.59 3.28 0.00 0.10 -4.95 105.19 109.47 3kxl n GLY 289 Ca 0.07 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3kxl n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kxl s VAL 290 N -2.32 5.06 -0.19 1.61 1.01 0.12 -4.98 120.40 120.72 3kxl s VAL 290 Ca 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 3kxl s VAL 290 Cb 0.00 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.58 3kxl s VAL 290 CO 0.00 -0.02 0.45 -0.55 0.00 0.00 0.00 175.10 174.98 3kxl s SER 291 N 1.64 -0.54 0.00 3.32 0.15 -1.26 -4.60 113.70 112.41 3kxl s SER 291 Ca 0.20 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.83 3kxl s SER 291 Cb -0.16 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 3kxl s SER 291 CO 0.11 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3kxl n GLY 292 N 4.41 1.05 3.74 9.45 0.00 -1.26 -5.03 105.19 117.56 3kxl n GLY 292 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3kxl n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxl s LYS 293 N -0.37 4.25 0.17 1.61 1.02 -1.26 -4.70 119.74 120.46 3kxl s LYS 293 Ca 0.00 0.35 -0.33 0.00 0.02 0.00 0.00 55.97 56.02 3kxl s LYS 293 Cb 0.00 -3.40 -0.12 0.00 -0.52 0.00 0.00 37.83 33.79 3kxl s LYS 293 CO 0.00 0.27 1.70 -2.30 -0.92 0.00 0.00 175.35 174.10 3kxl n PRO 294 N 3.34 2.58 -4.12 -1.68 -0.02 -1.26 -4.32 135.00 129.52 3kxl n PRO 294 Ca -0.09 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 3kxl n PRO 294 Cb 0.52 -2.76 -0.16 0.00 -0.02 0.00 0.00 33.50 31.07 3kxl n PRO 294 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kxl s ILE 295 N 1.41 2.08 -0.39 4.25 1.01 -0.92 -2.07 121.20 126.56 3kxl s ILE 295 Ca 0.78 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 3kxl s ILE 295 Cb -0.56 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.04 3kxl s ILE 295 CO 0.35 0.52 0.41 -0.22 0.00 0.00 0.00 174.94 176.00 3kxl s LEU 296 N 1.29 4.71 -0.14 2.97 2.96 -0.25 -1.88 118.68 128.34 3kxl s LEU 296 Ca 0.05 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.23 3kxl s LEU 296 Cb -0.13 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3kxl s LEU 296 CO -0.13 -0.50 0.66 -0.69 -1.32 0.00 0.00 176.35 174.38 3kxl s VAL 297 N 2.10 5.03 -0.21 1.68 1.01 -0.43 -1.03 120.40 128.56 3kxl s VAL 297 Ca 0.12 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 3kxl s VAL 297 Cb -0.17 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3kxl s VAL 297 CO 0.13 0.18 -0.12 0.42 0.00 0.00 0.00 175.10 175.71 3kxl s THR 298 N 1.37 2.63 -0.79 3.92 -4.23 0.07 -1.91 115.64 116.70 3kxl s THR 298 Ca 0.33 -0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 3kxl s THR 298 Cb -0.16 -2.20 0.06 0.00 1.34 0.00 0.00 72.50 71.54 3kxl s THR 298 CO 0.13 0.42 1.19 -0.22 -0.54 0.00 0.00 174.62 175.60 3kxl s LEU 299 N 1.35 3.88 0.56 4.79 2.96 -0.46 -1.67 118.68 130.10 3kxl s LEU 299 Ca 0.04 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 3kxl s LEU 299 Cb -0.14 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.09 3kxl s LEU 299 CO -0.08 -1.54 0.80 0.21 -1.32 0.00 0.00 176.35 174.41 3kxl s ASN 300 N 3.94 5.25 -1.22 3.68 2.47 -0.37 -0.80 114.94 127.90 3kxl s ASN 300 Ca 0.32 0.07 -0.05 0.00 0.42 0.00 0.00 52.86 53.62 3kxl s ASN 300 Cb -0.09 -0.95 0.01 0.00 -1.45 0.00 0.00 41.25 38.77 3kxl s ASN 300 CO 0.05 -1.17 0.72 0.29 -3.72 0.00 0.00 177.10 173.27 3kxl n LYS 301 N -2.40 -5.20 0.11 0.43 5.02 -1.16 -1.92 118.16 113.03 3kxl n LYS 301 Ca 0.08 0.73 0.12 0.00 -2.02 0.00 0.00 58.31 57.22 3kxl n LYS 301 Cb 0.60 -5.30 0.45 0.00 -0.02 0.00 0.00 35.03 30.76 3kxl n LYS 301 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kxl n ILE 302 N -4.43 0.69 0.82 -0.18 -5.35 -1.17 -2.62 119.36 107.12 3kxl n ILE 302 Ca -0.05 -0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.52 3kxl n ILE 302 Cb 0.58 -0.87 0.45 0.00 -1.74 0.00 0.00 39.64 38.06 3kxl n ILE 302 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3kxl n ASP 303 N -2.18 0.00 -0.67 7.28 5.75 -1.26 -1.89 116.55 123.58 3kxl n ASP 303 Ca 0.04 0.14 0.06 0.00 -0.01 0.00 0.00 54.79 55.02 3kxl n ASP 303 Cb 0.32 -0.34 0.18 0.00 -1.03 0.00 0.00 41.12 40.24 3kxl n ASP 303 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kxl n LYS 304 N -1.34 2.87 -4.39 0.11 5.02 -1.08 -4.94 118.16 114.42 3kxl n LYS 304 Ca 0.08 -2.26 -0.34 0.00 -2.02 0.00 0.00 58.31 53.77 3kxl n LYS 304 Cb 0.17 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 3kxl n LYS 304 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kxl s ILE 305 N -1.56 3.65 -0.12 -0.18 -1.09 -0.79 -4.97 121.20 116.14 3kxl s ILE 305 Ca 0.28 -0.44 -0.16 0.00 -2.23 0.00 0.00 60.65 58.10 3kxl s ILE 305 Cb 0.18 -2.60 -0.14 0.00 -1.58 0.00 0.00 42.46 38.32 3kxl s ILE 305 CO 0.13 0.48 0.45 0.78 -1.23 0.00 0.00 174.94 175.55 3kxl h ASN 306 N 6.97 -0.02 0.00 3.58 -0.26 -1.92 -3.48 115.58 120.45 3kxl h ASN 306 Ca -0.32 -0.52 0.00 0.00 -0.56 0.00 0.00 56.30 54.90 3kxl h ASN 306 Cb 1.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 3kxl h ASN 306 CO 0.61 0.74 0.00 0.61 -1.06 0.00 0.00 177.43 178.32 3kxl n GLY 307 N 1.60 0.12 3.83 2.83 0.00 -1.26 -5.04 105.19 107.27 3kxl n GLY 307 Ca -0.06 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 3kxl n GLY 307 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxl s ASP 308 N -1.16 5.15 -0.01 1.61 1.01 -1.26 -4.99 116.67 117.03 3kxl s ASP 308 Ca 0.00 1.43 0.12 0.00 0.71 0.00 0.00 52.55 54.81 3kxl s ASP 308 Cb 0.00 -2.26 -0.16 0.00 1.01 0.00 0.00 42.92 41.51 3kxl s ASP 308 CO 0.00 -1.56 0.42 0.18 0.21 0.00 0.00 175.17 174.42 3kxl n LEU 309 N -3.19 0.36 -0.02 1.23 4.32 -1.26 -4.68 117.00 113.77 3kxl n LEU 309 Ca 0.07 -0.31 -0.11 0.00 -0.02 0.00 0.00 56.01 55.64 3kxl n LEU 309 Cb 0.55 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.30 3kxl n LEU 309 CO 0.56 0.09 0.90 1.88 -1.22 0.00 0.00 177.39 179.60 3kxl h TYR 310 N 0.00 0.17 -0.94 -1.77 0.05 -1.97 0.46 116.97 112.97 3kxl h TYR 310 Ca 0.00 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.89 3kxl h TYR 310 Cb 0.39 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.00 3kxl h TYR 310 CO 0.00 0.15 0.57 0.87 -1.05 0.00 0.00 178.16 178.70 3kxl h LYS 311 N 0.14 0.88 0.02 4.88 1.57 -2.00 0.46 116.57 122.53 3kxl h LYS 311 Ca 0.05 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3kxl h LYS 311 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3kxl h LYS 311 CO -0.01 0.58 -1.08 0.87 -0.57 0.00 0.00 179.45 179.24 3kxl h LYS 312 N 0.91 0.05 -0.39 3.15 1.57 -1.79 -2.68 116.57 117.39 3kxl h LYS 312 Ca 0.47 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 59.08 3kxl h LYS 312 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3kxl h LYS 312 CO -0.27 1.02 -0.08 1.25 -0.57 0.00 0.00 179.45 180.80 3kxl h LEU 313 N 0.01 0.74 -0.43 2.94 5.85 0.14 0.20 115.31 124.76 3kxl h LEU 313 Ca -0.05 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.21 3kxl h LEU 313 Cb 1.82 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 3kxl h LEU 313 CO 0.14 0.92 -0.14 0.44 -0.34 0.00 0.00 178.44 179.46 3kxl h ASP 314 N 0.55 0.87 -0.02 1.25 3.32 -0.24 -1.02 116.42 121.12 3kxl h ASP 314 Ca 0.10 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3kxl h ASP 314 Cb 0.59 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kxl h ASP 314 CO 0.04 1.05 0.01 0.25 -1.72 0.00 0.00 179.24 178.86 3kxl h LEU 315 N 0.68 0.01 -0.16 1.55 7.12 -1.34 0.10 115.31 123.27 3kxl h LEU 315 Ca 0.10 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 3kxl h LEU 315 Cb 0.69 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 3kxl h LEU 315 CO 0.05 0.01 0.08 0.58 -0.13 0.00 0.00 178.44 179.03 3kxl h VAL 316 N 0.02 1.12 -0.55 1.05 2.07 -0.93 -0.99 116.25 118.04 3kxl h VAL 316 Ca 0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3kxl h VAL 316 Cb 0.01 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3kxl h VAL 316 CO -0.01 0.11 0.27 -0.08 0.02 0.00 0.00 177.57 177.88 3kxl h GLU 317 N 0.13 0.78 0.24 1.57 4.81 -1.06 0.62 114.58 121.66 3kxl h GLU 317 Ca 0.05 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3kxl h GLU 317 Cb 0.11 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kxl h GLU 317 CO -0.01 0.63 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.57 3kxl h LYS 318 N 0.73 -0.31 -0.57 1.92 3.64 -0.71 -2.65 116.57 118.63 3kxl h LYS 318 Ca 0.19 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3kxl h LYS 318 Cb 0.10 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3kxl h LYS 318 CO -0.03 -0.07 0.15 1.25 -2.27 0.00 0.00 179.45 178.48 3kxl h LEU 319 N -0.50 0.86 -0.78 5.20 5.85 -1.12 -2.66 115.31 122.17 3kxl h LEU 319 Ca -0.03 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3kxl h LEU 319 Cb 0.38 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3kxl h LEU 319 CO 0.05 0.86 0.51 0.28 -0.34 0.00 0.00 178.44 179.81 3kxl h SER 320 N 0.81 0.89 1.25 1.25 0.02 -0.89 -1.22 113.55 115.67 3kxl h SER 320 Ca 0.18 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3kxl h SER 320 Cb 0.34 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3kxl h SER 320 CO 0.00 0.65 0.00 0.11 -1.14 0.00 0.00 176.83 176.45 3kxl h LYS 321 N 1.05 0.00 0.00 3.45 1.57 -1.37 0.16 116.57 121.43 3kxl h LYS 321 Ca 0.28 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 3kxl h LYS 321 Cb -0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3kxl h LYS 321 CO -0.06 0.00 -0.93 0.93 -0.57 0.00 0.00 179.45 178.82 3kxl h GLU 322 N 0.00 0.00 0.00 3.15 5.08 -0.96 -3.36 114.58 118.48 3kxl h GLU 322 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3kxl h GLU 322 Cb 0.63 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3kxl h GLU 322 CO 0.00 0.66 -2.03 1.28 -1.00 0.00 0.00 179.01 177.91 3kxl n LEU 323 N -3.21 0.28 -3.81 1.33 4.77 -0.55 -5.02 117.00 110.79 3kxl n LEU 323 Ca -0.02 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3kxl n LEU 323 Cb 0.86 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 42.15 3kxl n LEU 323 CO 0.44 0.32 -0.05 -0.47 -1.33 0.00 0.00 177.39 176.29 3kxl s TYR 324 N -2.79 0.02 -0.12 -1.77 5.04 0.52 -5.07 117.35 113.19 3kxl s TYR 324 Ca -0.08 -0.27 -0.19 0.00 -2.44 0.00 0.00 57.07 54.10 3kxl s TYR 324 Cb 0.08 0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.45 3kxl s TYR 324 CO 0.84 -0.49 0.47 0.45 -1.34 0.00 0.00 175.55 175.49 3kxl s SER 325 N -2.29 -0.45 0.09 4.32 0.15 -1.26 -4.22 113.70 110.04 3kxl s SER 325 Ca -0.02 0.72 -0.21 0.00 0.70 0.00 0.00 55.95 57.14 3kxl s SER 325 Cb 0.01 0.76 -0.07 0.00 -1.71 0.00 0.00 66.02 65.00 3kxl s SER 325 CO -0.06 -0.31 0.62 -2.84 1.20 0.00 0.00 173.24 171.85 3kxl s PRO 326 N -0.36 4.29 -0.44 5.44 0.02 -1.26 -4.01 135.00 138.68 3kxl s PRO 326 Ca -0.05 0.83 -0.18 0.00 0.02 0.00 0.00 61.00 61.62 3kxl s PRO 326 Cb -0.03 -3.25 0.03 0.00 0.02 0.00 0.00 34.50 31.27 3kxl s PRO 326 CO 0.03 0.61 0.52 0.42 -0.33 0.00 0.00 177.00 178.25 3kxl s ILE 327 N -1.07 5.00 0.08 2.83 -1.09 -1.26 -2.17 121.20 123.51 3kxl s ILE 327 Ca 0.31 -0.31 -0.22 0.00 -2.23 0.00 0.00 60.65 58.20 3kxl s ILE 327 Cb -0.20 -4.13 -0.12 0.00 -1.58 0.00 0.00 42.46 36.43 3kxl s ILE 327 CO 0.21 -0.54 1.63 0.15 -1.23 0.00 0.00 174.94 175.15 3kxl h PHE 328 N 8.81 0.17 -1.74 3.97 3.57 -1.72 -3.47 116.94 126.54 3kxl h PHE 328 Ca -0.26 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.48 3kxl h PHE 328 Cb 1.10 -0.05 -0.13 0.00 2.79 0.00 0.00 35.95 39.66 3kxl h PHE 328 CO 0.67 0.25 0.71 0.34 -2.23 0.00 0.00 178.31 178.06 3kxl s ASP 329 N -5.48 -0.13 -0.23 0.41 2.15 -1.26 -5.03 116.67 107.10 3kxl s ASP 329 Ca -0.14 -0.15 -0.03 0.00 0.43 0.00 0.00 52.55 52.66 3kxl s ASP 329 Cb 0.06 0.25 0.08 0.00 -0.30 0.00 0.00 42.92 43.01 3kxl s ASP 329 CO 0.69 -0.45 0.08 -0.69 -0.17 0.00 0.00 175.17 174.63 3kxl s VAL 330 N -2.68 0.31 -0.01 1.11 1.01 -1.26 -1.31 120.40 117.56 3kxl s VAL 330 Ca 0.12 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3kxl s VAL 330 Cb 0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3kxl s VAL 330 CO -0.03 -0.43 -0.21 0.27 0.00 0.00 0.00 175.10 174.70 3kxl s ILE 331 N 1.94 1.65 0.18 2.22 -4.36 -0.80 -4.99 121.20 117.04 3kxl s ILE 331 Ca 0.04 -0.93 -0.30 0.00 -0.26 0.00 0.00 60.65 59.20 3kxl s ILE 331 Cb -0.17 -1.38 -0.08 0.00 1.25 0.00 0.00 42.46 42.09 3kxl s ILE 331 CO -0.18 0.43 0.99 -2.84 0.24 0.00 0.00 174.94 173.59 3kxl s PRO 332 N -0.58 4.73 0.29 0.37 0.02 -1.26 -1.35 135.00 137.22 3kxl s PRO 332 Ca 0.08 1.55 -0.02 0.00 0.02 0.00 0.00 61.00 62.63 3kxl s PRO 332 Cb -0.08 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 3kxl s PRO 332 CO -0.00 0.29 0.36 0.96 -0.33 0.00 0.00 177.00 178.28 3kxl s ILE 333 N -0.54 0.00 -0.27 2.83 -4.36 0.02 -4.72 121.20 114.16 3kxl s ILE 333 Ca 0.45 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 59.09 3kxl s ILE 333 Cb -0.26 -2.51 0.12 0.00 1.25 0.00 0.00 42.46 41.06 3kxl s ILE 333 CO 0.32 0.00 0.23 -0.55 0.24 0.00 0.00 174.94 175.19 3kxl s SER 334 N -3.21 2.14 0.30 4.36 0.15 -0.78 -2.99 113.70 113.68 3kxl s SER 334 Ca 0.33 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 56.22 3kxl s SER 334 Cb 0.02 0.24 0.67 0.00 -1.71 0.00 0.00 66.02 65.23 3kxl s SER 334 CO 0.18 -0.39 1.82 0.00 1.20 0.00 0.00 173.24 176.05 3kxl h ALA 335 N 8.31 1.63 0.29 5.45 0.00 -1.91 0.24 119.26 133.28 3kxl h ALA 335 Ca -0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kxl h ALA 335 Cb 1.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kxl h ALA 335 CO 0.35 0.07 -0.14 -0.07 0.00 0.00 0.00 179.25 179.47 3kxl h LEU 336 N 0.86 -0.33 0.00 0.00 4.07 -1.96 -3.31 115.31 114.64 3kxl h LEU 336 Ca 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.43 3kxl h LEU 336 Cb 0.68 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.51 3kxl h LEU 336 CO -0.30 0.13 0.00 0.29 -1.08 0.00 0.00 178.44 177.49 3kxl n LYS 337 N -5.04 0.56 -1.22 1.13 4.76 -1.14 -4.86 118.16 112.35 3kxl n LYS 337 Ca -0.06 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 3kxl n LYS 337 Cb 0.19 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 3kxl n LYS 337 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kxl n ARG 338 N -1.15 -1.20 -1.89 1.97 1.74 0.81 -4.93 116.66 112.02 3kxl n ARG 338 Ca 0.15 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.50 3kxl n ARG 338 Cb 0.14 -4.78 -0.03 0.00 -1.02 0.00 0.00 32.46 26.78 3kxl n ARG 338 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kxl s THR 339 N -1.95 3.11 0.00 0.55 2.01 -1.07 -2.43 115.64 115.87 3kxl s THR 339 Ca 0.00 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3kxl s THR 339 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3kxl s THR 339 CO 0.00 -0.02 0.00 0.59 -0.69 0.00 0.00 174.62 174.50 3kxl n ASN 340 N 6.25 -3.73 0.05 3.53 5.03 -1.26 -1.86 115.26 123.27 3kxl n ASN 340 Ca 0.17 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.67 3kxl n ASN 340 Cb 0.41 -1.96 0.47 0.00 -1.02 0.00 0.00 39.78 37.68 3kxl n ASN 340 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3kxl h LEU 341 N 0.00 0.37 -0.65 3.41 3.38 -1.82 0.19 115.31 120.20 3kxl h LEU 341 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3kxl h LEU 341 Cb 0.43 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kxl h LEU 341 CO 0.00 0.27 -0.34 -0.33 0.09 0.00 0.00 178.44 178.13 3kxl h GLU 342 N 0.44 0.68 -0.64 1.13 4.39 -1.89 0.68 114.58 119.36 3kxl h GLU 342 Ca 0.12 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 3kxl h GLU 342 Cb -0.05 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3kxl h GLU 342 CO -0.03 0.92 0.16 1.25 -1.16 0.00 0.00 179.01 180.16 3kxl h LEU 343 N 0.57 0.97 -0.10 1.33 5.85 -1.62 -1.86 115.31 120.45 3kxl h LEU 343 Ca 0.06 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3kxl h LEU 343 Cb 0.85 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3kxl h LEU 343 CO 0.07 0.95 0.04 0.25 -0.34 0.00 0.00 178.44 179.41 3kxl h LEU 344 N 0.95 0.13 -0.98 2.25 5.85 -0.74 -0.85 115.31 121.92 3kxl h LEU 344 Ca 0.20 -0.15 0.16 0.00 0.84 0.00 0.00 57.88 58.93 3kxl h LEU 344 Cb 0.35 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 3kxl h LEU 344 CO 0.00 0.24 0.59 0.03 -0.34 0.00 0.00 178.44 178.96 3kxl h ARG 345 N 0.01 0.80 -0.36 1.25 3.08 -0.74 0.10 114.38 118.52 3kxl h ARG 345 Ca 0.03 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3kxl h ARG 345 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3kxl h ARG 345 CO -0.00 0.53 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.81 3kxl h ASP 346 N 0.82 0.79 0.22 7.04 3.32 -0.98 -2.30 116.42 125.33 3kxl h ASP 346 Ca 0.53 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3kxl h ASP 346 Cb 0.71 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3kxl h ASP 346 CO -0.34 1.02 -0.26 0.11 -1.72 0.00 0.00 179.24 178.05 3kxl h LYS 347 N 0.56 0.07 -0.28 3.56 1.79 0.01 -0.78 116.57 121.50 3kxl h LYS 347 Ca 0.08 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 3kxl h LYS 347 Cb 0.72 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 3kxl h LYS 347 CO 0.05 0.33 -0.36 0.82 -1.08 0.00 0.00 179.45 179.21 3kxl h ILE 348 N 0.06 1.29 -0.11 1.86 1.08 -0.67 -1.86 117.51 119.17 3kxl h ILE 348 Ca 0.01 -1.51 -0.04 0.00 -0.39 0.00 0.00 64.86 62.93 3kxl h ILE 348 Cb 0.50 1.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 3kxl h ILE 348 CO 0.04 0.48 -0.07 0.22 -0.69 0.00 0.00 178.15 178.13 3kxl h TYR 349 N 0.52 0.29 -0.61 1.37 3.20 -0.80 -0.20 116.97 120.73 3kxl h TYR 349 Ca 0.05 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3kxl h TYR 349 Cb 0.87 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3kxl h TYR 349 CO 0.04 0.61 0.40 1.96 -1.64 0.00 0.00 178.16 179.53 3kxl h GLN 350 N -0.12 0.54 -0.11 1.82 4.20 -1.15 0.28 115.11 120.57 3kxl h GLN 350 Ca 0.02 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 3kxl h GLN 350 Cb 0.54 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3kxl h GLN 350 CO 0.02 0.36 -0.74 1.25 -0.67 0.00 0.00 178.83 179.04 3kxl h LEU 351 N 0.56 0.66 -0.91 1.46 5.85 -1.14 -2.41 115.31 119.38 3kxl h LEU 351 Ca 0.27 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3kxl h LEU 351 Cb 0.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3kxl h LEU 351 CO -0.08 1.19 -0.40 0.00 -0.34 0.00 0.00 178.44 178.81 3kxl h ALA 352 N 0.79 1.08 -0.04 1.25 0.00 0.28 -2.58 119.26 120.05 3kxl h ALA 352 Ca -0.04 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 3kxl h ALA 352 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kxl h ALA 352 CO 0.14 0.59 -0.82 1.15 0.00 0.00 0.00 179.25 180.32 3kxl h THR 353 N 0.24 1.41 0.00 0.00 2.02 -0.97 -3.02 112.91 112.59 3kxl h THR 353 Ca 0.02 -2.33 -0.03 0.00 0.77 0.00 0.00 66.41 64.84 3kxl h THR 353 Cb 0.82 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 3kxl h THR 353 CO 0.06 0.69 -0.16 -0.61 0.37 0.00 0.00 175.52 175.88 3kxl h GLN 354 N 0.22 0.00 0.00 6.66 4.15 -1.26 -3.02 115.11 121.86 3kxl h GLN 354 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3kxl h GLN 354 Cb 1.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.11 3kxl h GLN 354 CO 0.14 0.16 -0.80 -0.07 -1.93 0.00 0.00 178.83 176.33 3kxl h LEU 355 N 0.00 0.00 -0.47 -2.39 4.07 -1.41 -3.25 115.31 111.86 3kxl h LEU 355 Ca -0.00 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.80 3kxl h LEU 355 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3kxl h LEU 355 CO 0.02 0.08 0.00 -1.54 -1.08 0.00 0.00 178.44 175.92 3kxl n SER 356 N -2.31 0.67 0.00 -0.43 3.41 -1.14 -4.15 113.62 109.68 3kxl n SER 356 Ca 0.02 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3kxl n SER 356 Cb 0.48 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3kxl n SER 356 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kxl n LEU 357 N -0.15 0.23 0.00 1.04 -0.00 -1.25 -5.11 117.00 111.76 3kxl n LEU 357 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.16 3kxl n LEU 357 Cb 0.11 0.00 0.65 0.00 -0.00 0.00 0.00 43.42 44.18 3kxl n LEU 357 CO 0.03 -0.18 0.84 -0.62 -0.00 0.00 0.00 177.39 177.46