#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxl h VAL 15 N 0.00 0.76 -3.67 1.61 3.04 -1.96 -3.44 116.25 112.59 3cxl h VAL 15 Ca 0.00 -0.24 -0.50 0.00 -1.01 0.00 0.00 66.70 64.95 3cxl h VAL 15 Cb 0.00 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 3cxl h VAL 15 CO 0.00 0.05 0.37 0.26 -1.01 0.00 0.00 177.57 177.24 3cxl s TRP 16 N -5.62 3.86 0.02 3.17 0.52 -1.26 -4.97 118.94 114.65 3cxl s TRP 16 Ca -0.15 1.83 -0.21 0.00 0.02 0.00 0.00 56.10 57.60 3cxl s TRP 16 Cb 0.04 -3.05 -0.06 0.00 -1.15 0.00 0.00 33.47 29.25 3cxl s TRP 16 CO 0.62 0.21 0.60 0.15 0.02 0.00 0.00 176.95 178.55 3cxl s LYS 17 N -0.67 4.31 0.19 4.98 1.02 -0.74 -4.97 119.74 123.85 3cxl s LYS 17 Ca 0.44 0.76 0.23 0.00 0.02 0.00 0.00 55.97 57.42 3cxl s LYS 17 Cb -0.26 -3.32 0.09 0.00 -0.52 0.00 0.00 37.83 33.83 3cxl s LYS 17 CO 0.32 0.42 1.13 0.66 -0.92 0.00 0.00 175.35 176.96 3cxl h SER 18 N 5.41 0.00 0.02 2.83 4.64 -1.91 -3.37 113.55 121.17 3cxl h SER 18 Ca -0.46 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.81 3cxl h SER 18 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3cxl h SER 18 CO 0.68 0.03 -0.47 0.22 -0.87 0.00 0.00 176.83 176.43 3cxl h TYR 19 N 0.00 -1.38 0.00 4.77 3.20 -1.93 0.53 116.97 122.15 3cxl h TYR 19 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3cxl h TYR 19 Cb 0.93 0.60 -0.00 0.00 1.54 0.00 0.00 36.73 39.80 3cxl h TYR 19 CO 0.00 -0.51 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.89 3cxl h LEU 20 N -0.61 0.00 -0.02 2.82 3.38 -1.92 -0.78 115.31 118.18 3cxl h LEU 20 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3cxl h LEU 20 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3cxl h LEU 20 CO -0.30 0.05 -0.15 0.22 0.09 0.00 0.00 178.44 178.35 3cxl h TYR 21 N 0.00 0.18 -0.82 1.13 3.20 -1.43 -2.57 116.97 116.65 3cxl h TYR 21 Ca -0.00 -0.09 0.10 0.00 3.14 0.00 0.00 58.73 61.89 3cxl h TYR 21 Cb 0.40 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.57 3cxl h TYR 21 CO 0.00 0.82 0.46 1.96 -1.64 0.00 0.00 178.16 179.76 3cxl h GLN 22 N -0.51 0.73 -0.02 1.82 1.08 -0.56 -2.40 115.11 115.26 3cxl h GLN 22 Ca -0.01 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3cxl h GLN 22 Cb 0.85 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 3cxl h GLN 22 CO 0.03 0.48 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.31 3cxl h LEU 23 N 0.75 -0.05 -0.82 1.46 3.38 -1.14 -1.43 115.31 117.46 3cxl h LEU 23 Ca 0.41 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.57 3cxl h LEU 23 Cb 0.41 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 3cxl h LEU 23 CO -0.27 -0.02 0.32 -0.61 0.09 0.00 0.00 178.44 177.95 3cxl h GLN 24 N -0.02 0.39 -0.55 1.13 4.15 -1.17 0.24 115.11 119.29 3cxl h GLN 24 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3cxl h GLN 24 Cb 0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 3cxl h GLN 24 CO -0.03 0.26 0.33 1.96 -1.93 0.00 0.00 178.83 179.42 3cxl h GLN 25 N 0.40 0.73 0.00 1.69 1.08 -0.79 -2.65 115.11 115.58 3cxl h GLN 25 Ca 0.48 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3cxl h GLN 25 Cb 0.83 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3cxl h GLN 25 CO -0.48 0.52 -0.02 0.93 -0.95 0.00 0.00 178.83 178.83 3cxl h GLU 26 N 0.75 0.00 -6.47 1.46 5.08 0.27 -3.46 114.58 112.20 3cxl h GLU 26 Ca 0.20 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.95 3cxl h GLU 26 Cb -0.03 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.33 3cxl h GLU 26 CO -0.04 0.02 0.17 0.00 -1.00 0.00 0.00 179.01 178.16 3cxl n ALA 27 N -2.10 -0.18 -1.78 3.43 0.00 -0.36 -4.94 120.51 114.57 3cxl n ALA 27 Ca 0.04 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 3cxl n ALA 27 Cb 0.52 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 3cxl n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cxl s PRO 28 N -1.43 3.84 0.42 0.00 0.04 -1.26 -5.02 135.00 131.59 3cxl s PRO 28 Ca 0.60 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 3cxl s PRO 28 Cb -0.71 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 3cxl s PRO 28 CO 0.59 -0.43 0.75 -1.01 0.04 0.00 0.00 177.00 176.95 3cxl s HIS 29 N -1.77 3.51 0.41 0.56 3.76 -1.26 -4.73 115.29 115.77 3cxl s HIS 29 Ca 0.64 0.91 -0.26 0.00 -0.15 0.00 0.00 55.06 56.20 3cxl s HIS 29 Cb -0.21 -2.35 -0.10 0.00 1.11 0.00 0.00 32.58 31.03 3cxl s HIS 29 CO 0.26 -0.15 1.38 -2.30 -0.85 0.00 0.00 174.74 173.08 3cxl n PRO 30 N -1.66 2.23 -3.72 8.40 -0.02 -1.26 -4.63 135.00 134.34 3cxl n PRO 30 Ca 0.01 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 3cxl n PRO 30 Cb 0.54 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 3cxl n PRO 30 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3cxl s ARG 31 N -2.22 0.99 -0.06 -0.52 0.52 -0.66 -4.98 118.95 112.03 3cxl s ARG 31 Ca 0.59 -1.54 -0.33 0.00 -0.52 0.00 0.00 55.73 53.92 3cxl s ARG 31 Cb -0.49 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 32.72 3cxl s ARG 31 CO 0.60 -1.08 1.92 -2.13 0.02 0.00 0.00 175.30 174.63 3cxl n ARG 32 N 4.18 2.38 -2.95 3.54 0.63 -1.26 -1.43 116.66 121.75 3cxl n ARG 32 Ca 0.04 0.87 -0.43 0.00 -0.92 0.00 0.00 57.85 57.41 3cxl n ARG 32 Cb 0.38 -2.77 -0.05 0.00 0.45 0.00 0.00 32.46 30.47 3cxl n ARG 32 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3cxl s ILE 33 N 4.31 4.63 -0.13 5.15 -1.09 -0.81 -4.90 121.20 128.35 3cxl s ILE 33 Ca 0.92 0.47 -0.29 0.00 -2.23 0.00 0.00 60.65 59.51 3cxl s ILE 33 Cb -0.61 -4.33 -0.01 0.00 -1.58 0.00 0.00 42.46 35.93 3cxl s ILE 33 CO 0.49 -0.73 1.07 0.42 -1.23 0.00 0.00 174.94 174.96 3cxl s THR 34 N 3.34 4.62 -0.48 2.92 -4.23 -1.26 -4.39 115.64 116.17 3cxl s THR 34 Ca 0.31 1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 62.48 3cxl s THR 34 Cb -0.12 -4.24 0.03 0.00 1.34 0.00 0.00 72.50 69.52 3cxl s THR 34 CO 0.23 -0.06 0.96 0.00 -0.54 0.00 0.00 174.62 175.22 3cxl n THR 36 N 6.47 3.95 -3.65 0.00 -1.04 -1.26 -4.83 114.28 113.91 3cxl n THR 36 Ca 0.07 -3.97 -0.08 0.00 -2.04 0.00 0.00 64.05 58.02 3cxl n THR 36 Cb 0.48 -2.45 -0.08 0.00 -1.82 0.00 0.00 70.33 66.47 3cxl n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cxl s GLU 38 N 1.48 4.30 -0.07 0.00 2.56 -1.26 -5.05 118.70 120.67 3cxl s GLU 38 Ca -0.09 0.82 0.04 0.00 0.00 0.00 0.00 54.97 55.74 3cxl s GLU 38 Cb -0.06 -3.54 -0.00 0.00 2.00 0.00 0.00 34.13 32.53 3cxl s GLU 38 CO -0.17 -0.18 -0.20 0.08 -0.56 0.00 0.00 175.26 174.23 3cxl s VAL 39 N 1.66 1.71 0.36 3.70 1.01 -1.26 -5.11 120.40 122.48 3cxl s VAL 39 Ca 0.34 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3cxl s VAL 39 Cb -0.17 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 3cxl s VAL 39 CO 0.13 0.48 1.26 -1.83 0.00 0.00 0.00 175.10 175.14 3cxl s GLU 40 N 0.18 4.20 -1.37 2.72 1.03 -1.26 -3.03 118.70 121.17 3cxl s GLU 40 Ca -0.10 2.08 -0.00 0.00 0.03 0.00 0.00 54.97 56.98 3cxl s GLU 40 Cb -0.15 -2.90 -0.00 0.00 -0.80 0.00 0.00 34.13 30.28 3cxl s GLU 40 CO 0.05 -0.27 0.50 0.27 -1.33 0.00 0.00 175.26 174.47 3cxl n ASN 41 N 0.47 -0.61 -4.69 0.83 0.23 -1.26 -4.95 115.26 105.28 3cxl n ASN 41 Ca 0.02 -0.96 -0.40 0.00 -0.53 0.00 0.00 54.58 52.71 3cxl n ASN 41 Cb 0.44 -3.33 -0.05 0.00 -2.08 0.00 0.00 39.78 34.76 3cxl n ASN 41 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3cxl s ARG 42 N -6.38 4.35 0.24 -3.83 3.52 -1.17 -5.03 118.95 110.65 3cxl s ARG 42 Ca 0.01 0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 56.14 3cxl s ARG 42 Cb -0.00 -3.51 -0.10 0.00 -1.56 0.00 0.00 34.95 29.78 3cxl s ARG 42 CO 0.87 -0.09 1.36 -2.14 -0.81 0.00 0.00 175.30 174.48 3cxl s PRO 43 N 1.37 4.34 0.35 5.12 0.02 -1.26 -4.85 135.00 140.09 3cxl s PRO 43 Ca 0.35 2.18 0.22 0.00 0.02 0.00 0.00 61.00 63.77 3cxl s PRO 43 Cb -0.17 -3.14 1.19 0.00 0.02 0.00 0.00 34.50 32.40 3cxl s PRO 43 CO 0.15 -0.30 1.65 1.57 -0.33 0.00 0.00 177.00 179.74 3cxl h LYS 44 N 4.84 0.00 0.00 5.54 -0.00 -2.02 -1.88 116.57 123.04 3cxl h LYS 44 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3cxl h LYS 44 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3cxl h LYS 44 CO 0.75 0.00 -0.88 2.48 -0.00 0.00 0.00 179.45 181.80 3cxl n TYR 45 N -2.29 0.51 -3.66 0.07 0.18 -1.26 -4.85 117.16 105.86 3cxl n TYR 45 Ca -0.01 0.15 -0.24 0.00 1.88 0.00 0.00 57.90 59.67 3cxl n TYR 45 Cb 0.09 -0.62 -0.02 0.00 -0.38 0.00 0.00 39.34 38.41 3cxl n TYR 45 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3cxl s TYR 46 N -3.22 3.48 0.00 -3.48 2.02 -0.71 -5.00 117.35 110.44 3cxl s TYR 46 Ca 0.04 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 3cxl s TYR 46 Cb 0.13 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 3cxl s TYR 46 CO 0.77 0.30 0.00 0.41 -1.57 0.00 0.00 175.55 175.45 3cxl n GLY 47 N -1.37 4.57 0.21 0.71 0.00 -1.26 -4.82 105.19 103.24 3cxl n GLY 47 Ca -0.06 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 44.98 3cxl n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cxl h ARG 48 N 0.00 0.00 0.00 1.61 3.08 -1.96 -0.16 114.38 116.95 3cxl h ARG 48 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cxl h ARG 48 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3cxl h ARG 48 CO 0.00 0.00 0.00 1.05 -1.07 0.00 0.00 179.97 179.95 3cxl h GLU 49 N 0.00 0.00 -6.42 0.04 9.09 -1.88 0.16 114.58 115.56 3cxl h GLU 49 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 3cxl h GLU 49 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 3cxl h GLU 49 CO 0.00 0.00 0.58 0.12 0.05 0.00 0.00 179.01 179.76 3cxl s PHE 50 N -3.28 3.39 0.00 2.06 5.36 -0.07 -2.17 117.98 123.27 3cxl s PHE 50 Ca 0.06 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3cxl s PHE 50 Cb 0.10 -3.38 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 3cxl s PHE 50 CO 0.46 -1.13 0.45 0.72 -1.46 0.00 0.00 175.22 174.26 3cxl n HIS 51 N 4.31 0.00 -4.58 10.12 8.25 -0.41 -4.70 115.22 128.21 3cxl n HIS 51 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3cxl n HIS 51 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3cxl n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cxl n GLY 52 N 0.02 0.22 3.46 -1.41 0.00 -1.26 -4.48 105.19 101.74 3cxl n GLY 52 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3cxl n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cxl s MET 53 N 0.00 3.13 0.29 1.61 1.75 -1.26 -0.59 119.30 124.22 3cxl s MET 53 Ca 0.00 -0.78 0.10 0.00 -1.25 0.00 0.00 55.69 53.77 3cxl s MET 53 Cb 0.00 -4.21 -0.05 0.00 2.84 0.00 0.00 34.83 33.41 3cxl s MET 53 CO 0.00 -1.79 -0.08 0.96 -0.65 0.00 0.00 175.02 173.45 3cxl s ILE 54 N 4.08 2.90 1.00 10.11 -4.36 -1.26 -4.98 121.20 128.69 3cxl s ILE 54 Ca 0.23 -2.13 -0.14 0.00 -0.26 0.00 0.00 60.65 58.35 3cxl s ILE 54 Cb -0.16 -2.61 0.19 0.00 1.25 0.00 0.00 42.46 41.12 3cxl s ILE 54 CO 0.11 -0.35 1.13 -0.94 0.24 0.00 0.00 174.94 175.12 3cxl s SER 55 N -3.61 2.67 0.06 4.36 1.04 -1.26 -4.86 113.70 112.09 3cxl s SER 55 Ca 0.31 0.94 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 3cxl s SER 55 Cb -0.05 -1.46 -0.29 0.00 0.10 0.00 0.00 66.02 64.32 3cxl s SER 55 CO 0.18 -3.07 1.09 0.03 0.98 0.00 0.00 173.24 172.45 3cxl h ARG 56 N -1.86 0.54 -0.87 4.02 3.08 -2.01 -0.26 114.38 117.03 3cxl h ARG 56 Ca -0.51 -0.79 0.09 0.00 0.07 0.00 0.00 59.98 58.84 3cxl h ARG 56 Cb 1.32 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 31.57 3cxl h ARG 56 CO 0.54 1.36 0.52 0.93 -1.07 0.00 0.00 179.97 182.25 3cxl h GLU 57 N 0.21 0.85 -0.06 0.04 3.07 -1.98 0.73 114.58 117.45 3cxl h GLU 57 Ca -0.19 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.63 3cxl h GLU 57 Cb 1.98 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.68 3cxl h GLU 57 CO 0.24 0.56 -0.03 0.00 -1.40 0.00 0.00 179.01 178.39 3cxl h ALA 58 N 1.46 0.02 -0.55 3.43 0.00 -1.85 -0.60 119.26 121.17 3cxl h ALA 58 Ca 0.41 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.36 3cxl h ALA 58 Cb 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3cxl h ALA 58 CO -0.23 -0.50 0.35 0.00 0.00 0.00 0.00 179.25 178.86 3cxl h ALA 59 N 1.03 0.70 -0.61 0.00 0.00 0.03 -2.66 119.26 117.76 3cxl h ALA 59 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3cxl h ALA 59 Cb 0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3cxl h ALA 59 CO -0.07 0.10 0.30 -0.44 0.00 0.00 0.00 179.25 179.14 3cxl h ASP 60 N 0.71 0.42 0.45 0.00 3.32 0.77 -0.69 116.42 121.40 3cxl h ASP 60 Ca 0.21 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3cxl h ASP 60 Cb -0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3cxl h ASP 60 CO -0.07 0.27 -0.46 -0.61 -1.72 0.00 0.00 179.24 176.65 3cxl h GLN 61 N 0.56 0.02 0.00 3.56 -0.00 -0.89 -2.00 115.11 116.37 3cxl h GLN 61 Ca 0.28 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.84 3cxl h GLN 61 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 3cxl h GLN 61 CO -0.20 0.48 -0.84 -0.07 0.00 0.00 0.00 178.83 178.19 3cxl h LEU 62 N 0.01 0.00 0.00 -2.39 3.38 -1.10 -3.35 115.31 111.86 3cxl h LEU 62 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3cxl h LEU 62 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3cxl h LEU 62 CO 0.06 0.30 -1.30 -0.07 0.09 0.00 0.00 178.44 177.52 3cxl h LEU 63 N 0.00 0.00 -1.96 1.67 3.38 -0.98 -3.39 115.31 114.04 3cxl h LEU 63 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cxl h LEU 63 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3cxl h LEU 63 CO 0.03 0.55 0.07 0.16 0.09 0.00 0.00 178.44 179.35 3cxl h ILE 64 N 0.00 0.00 -0.33 1.22 3.07 -1.50 -3.23 117.51 116.74 3cxl h ILE 64 Ca -0.14 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.26 3cxl h ILE 64 Cb 1.55 0.65 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 3cxl h ILE 64 CO 0.05 0.00 0.17 -0.37 -1.05 0.00 0.00 178.15 176.95 3cxl h VAL 65 N 0.00 1.11 -2.03 0.16 -1.51 -1.83 -3.45 116.25 108.70 3cxl h VAL 65 Ca 0.00 -0.28 0.15 0.00 -1.23 0.00 0.00 66.70 65.34 3cxl h VAL 65 Cb 0.14 0.67 -0.16 0.00 -2.13 0.00 0.00 31.29 29.81 3cxl h VAL 65 CO 0.00 0.12 0.59 0.00 -1.23 0.00 0.00 177.57 177.05 3cxl s ALA 66 N -5.32 -1.90 0.15 5.19 0.00 -1.22 -5.12 121.76 113.53 3cxl s ALA 66 Ca -0.08 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 3cxl s ALA 66 Cb 0.17 0.23 -0.08 0.00 0.00 0.00 0.00 23.12 23.44 3cxl s ALA 66 CO 0.73 -0.65 1.31 -2.00 0.00 0.00 0.00 175.76 175.15 3cxl s GLU 67 N -2.87 4.38 0.00 0.00 2.56 -1.26 -2.64 118.70 118.87 3cxl s GLU 67 Ca 0.06 2.01 0.00 0.00 0.00 0.00 0.00 54.97 57.04 3cxl s GLU 67 Cb -0.01 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.88 3cxl s GLU 67 CO -0.08 -0.30 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 3cxl n GLY 68 N 2.87 0.81 3.77 -1.50 0.00 0.21 -4.80 105.19 106.55 3cxl n GLY 68 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3cxl n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxl s SER 69 N -2.88 5.98 0.02 1.61 0.01 -1.08 -1.65 113.70 115.71 3cxl s SER 69 Ca 0.00 2.96 -0.09 0.00 1.31 0.00 0.00 55.95 60.13 3cxl s SER 69 Cb 0.00 -2.66 0.01 0.00 0.21 0.00 0.00 66.02 63.58 3cxl s SER 69 CO 0.00 -1.11 0.19 -0.72 0.41 0.00 0.00 173.24 172.01 3cxl s TYR 70 N -1.18 0.02 0.12 2.43 1.13 -0.52 -0.45 117.35 118.90 3cxl s TYR 70 Ca 0.59 -0.15 -0.09 0.00 -1.41 0.00 0.00 57.07 56.01 3cxl s TYR 70 Cb -0.45 -0.02 -0.01 0.00 -1.10 0.00 0.00 41.96 40.38 3cxl s TYR 70 CO 0.58 -0.37 0.22 -0.48 -2.51 0.00 0.00 175.55 173.00 3cxl s LEU 71 N -1.71 1.24 -0.08 -3.49 0.05 -0.66 -1.92 118.68 112.11 3cxl s LEU 71 Ca -0.10 -0.76 -0.01 0.00 0.05 0.00 0.00 54.13 53.31 3cxl s LEU 71 Cb -0.04 1.08 -0.03 0.00 -2.05 0.00 0.00 46.19 45.14 3cxl s LEU 71 CO -0.01 -0.80 -0.02 -0.63 -0.55 0.00 0.00 176.35 174.34 3cxl s ILE 72 N -3.91 4.09 0.13 1.48 1.01 -0.92 -1.25 121.20 121.83 3cxl s ILE 72 Ca 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3cxl s ILE 72 Cb 0.04 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3cxl s ILE 72 CO -0.06 0.60 0.12 0.00 0.00 0.00 0.00 174.94 175.60 3cxl s ARG 73 N -0.86 0.97 -0.03 2.79 1.70 -0.24 -1.29 118.95 121.98 3cxl s ARG 73 Ca 0.13 -1.33 -0.22 0.00 -0.47 0.00 0.00 55.73 53.85 3cxl s ARG 73 Cb -0.11 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 3cxl s ARG 73 CO 0.02 -0.30 0.64 -2.00 -1.08 0.00 0.00 175.30 172.58 3cxl s GLU 74 N -4.01 4.38 0.10 3.89 2.12 0.24 0.16 118.70 125.58 3cxl s GLU 74 Ca 0.20 0.79 -0.31 0.00 0.36 0.00 0.00 54.97 56.01 3cxl s GLU 74 Cb 0.06 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.99 3cxl s GLU 74 CO -0.00 0.24 1.38 0.45 -0.54 0.00 0.00 175.26 176.79 3cxl s SER 75 N 0.23 6.84 0.15 -1.70 0.15 0.77 -4.49 113.70 115.65 3cxl s SER 75 Ca 0.33 2.29 0.01 0.00 0.70 0.00 0.00 55.95 59.28 3cxl s SER 75 Cb -0.18 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.49 3cxl s SER 75 CO 0.17 -0.65 1.34 1.56 1.20 0.00 0.00 173.24 176.86 3cxl h GLN 76 N 6.96 0.24 -0.06 5.44 4.20 -1.91 -2.34 115.11 127.64 3cxl h GLN 76 Ca -0.42 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 57.96 3cxl h GLN 76 Cb 1.21 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3cxl h GLN 76 CO 0.87 1.01 -0.18 0.00 -0.67 0.00 0.00 178.83 179.86 3cxl h ARG 77 N 0.13 0.23 -3.17 1.46 3.08 -1.98 -3.38 114.38 110.74 3cxl h ARG 77 Ca -0.06 -0.16 -0.63 0.00 0.07 0.00 0.00 59.98 59.19 3cxl h ARG 77 Cb 1.57 0.03 -0.41 0.00 0.08 0.00 0.00 29.97 31.24 3cxl h ARG 77 CO 0.15 0.78 -0.53 -0.65 -1.07 0.00 0.00 179.97 178.65 3cxl s GLN 78 N -3.81 2.47 0.64 0.04 -0.21 -1.24 -5.11 119.66 112.44 3cxl s GLN 78 Ca -0.15 -3.20 -0.17 0.00 0.02 0.00 0.00 55.36 51.85 3cxl s GLN 78 Cb 0.03 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 3cxl s GLN 78 CO 0.74 -1.25 0.99 -2.30 -2.12 0.00 0.00 175.29 171.34 3cxl n PRO 79 N 2.23 0.79 -0.81 2.91 -0.02 -0.88 -2.72 135.00 136.50 3cxl n PRO 79 Ca 0.17 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3cxl n PRO 79 Cb 0.35 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3cxl n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cxl n GLY 80 N 1.22 0.77 3.13 -1.23 0.00 -1.26 -4.99 105.19 102.83 3cxl n GLY 80 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3cxl n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxl s THR 81 N -2.93 1.15 0.13 2.61 2.01 -1.10 -5.04 115.64 112.47 3cxl s THR 81 Ca 0.00 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.26 3cxl s THR 81 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3cxl s THR 81 CO 0.00 0.17 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.68 3cxl s TYR 82 N -0.60 2.69 -0.06 4.92 2.02 -1.26 -0.16 117.35 124.89 3cxl s TYR 82 Ca 0.04 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3cxl s TYR 82 Cb -0.07 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 3cxl s TYR 82 CO 0.00 0.45 -0.07 0.99 -1.57 0.00 0.00 175.55 175.36 3cxl s THR 83 N -1.38 0.76 -0.17 -0.71 2.01 0.12 -1.78 115.64 114.50 3cxl s THR 83 Ca 0.22 -0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 3cxl s THR 83 Cb -0.10 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 3cxl s THR 83 CO 0.14 0.29 0.85 -0.22 -0.69 0.00 0.00 174.62 174.99 3cxl s LEU 84 N 1.05 4.18 -0.18 4.42 2.96 -0.03 -1.08 118.68 129.99 3cxl s LEU 84 Ca -0.08 1.21 -0.03 0.00 -0.22 0.00 0.00 54.13 55.00 3cxl s LEU 84 Cb -0.14 -3.27 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 3cxl s LEU 84 CO -0.00 -0.41 -0.05 0.00 -1.32 0.00 0.00 176.35 174.57 3cxl s ALA 85 N 2.17 2.87 -0.03 5.97 0.00 -0.38 -0.42 121.76 131.93 3cxl s ALA 85 Ca 0.39 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.39 3cxl s ALA 85 Cb -0.17 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.37 3cxl s ALA 85 CO 0.13 -0.07 -0.09 -1.17 0.00 0.00 0.00 175.76 174.55 3cxl s LEU 86 N 0.87 1.73 -0.42 0.00 2.96 -0.16 -1.65 118.68 122.01 3cxl s LEU 86 Ca -0.01 -0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 53.48 3cxl s LEU 86 Cb -0.15 -0.59 0.02 0.00 0.50 0.00 0.00 46.19 45.97 3cxl s LEU 86 CO 0.01 0.05 0.69 -0.60 -1.32 0.00 0.00 176.35 175.19 3cxl s ARG 87 N 0.31 3.41 -0.18 1.98 6.06 0.40 -0.54 118.95 130.39 3cxl s ARG 87 Ca -0.05 -0.18 -0.12 0.00 -2.50 0.00 0.00 55.73 52.88 3cxl s ARG 87 Cb -0.10 -3.91 0.06 0.00 0.06 0.00 0.00 34.95 31.05 3cxl s ARG 87 CO 0.01 -0.99 0.45 0.12 -2.50 0.00 0.00 175.30 172.39 3cxl s PHE 88 N 2.96 -0.61 -0.35 5.12 5.36 -0.66 0.64 117.98 130.44 3cxl s PHE 88 Ca 0.26 1.34 -0.00 0.00 -0.96 0.00 0.00 56.93 57.56 3cxl s PHE 88 Cb -0.13 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 3cxl s PHE 88 CO 0.19 -0.33 0.05 0.41 -1.46 0.00 0.00 175.22 174.09 3cxl n GLY 89 N 3.83 0.29 2.65 13.12 0.00 -1.26 -3.35 105.19 120.47 3cxl n GLY 89 Ca -0.20 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 3cxl n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cxl n SER 90 N 1.05 -6.03 -3.79 1.61 7.64 -1.26 -4.97 113.62 107.88 3cxl n SER 90 Ca -0.04 -0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.63 3cxl n SER 90 Cb 0.53 -4.96 -0.03 0.00 -1.01 0.00 0.00 64.21 58.75 3cxl n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cxl s GLN 91 N -5.31 1.63 -0.24 1.43 -2.07 -1.21 -5.15 119.66 108.73 3cxl s GLN 91 Ca 0.12 -0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 52.61 3cxl s GLN 91 Cb -0.05 0.58 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 3cxl s GLN 91 CO 0.15 -0.73 0.31 0.99 -1.32 0.00 0.00 175.29 174.69 3cxl s THR 92 N -3.90 5.24 -0.16 3.63 2.01 -1.26 -1.65 115.64 119.56 3cxl s THR 92 Ca 0.10 0.48 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 3cxl s THR 92 Cb -0.04 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3cxl s THR 92 CO 0.03 0.25 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.06 3cxl s ARG 93 N 1.50 3.68 -0.13 4.92 1.81 0.30 -4.94 118.95 126.10 3cxl s ARG 93 Ca 0.14 -0.48 -0.03 0.00 -1.72 0.00 0.00 55.73 53.64 3cxl s ARG 93 Cb -0.15 -2.96 -0.03 0.00 -0.45 0.00 0.00 34.95 31.36 3cxl s ARG 93 CO 0.08 0.28 -0.02 -0.80 -0.68 0.00 0.00 175.30 174.16 3cxl s ASN 94 N 0.28 5.01 -0.03 0.23 0.01 -1.26 -0.99 114.94 118.19 3cxl s ASN 94 Ca -0.02 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 3cxl s ASN 94 Cb -0.14 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 3cxl s ASN 94 CO 0.02 0.25 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.34 3cxl s PHE 95 N -0.15 1.61 0.16 2.20 0.08 0.44 -5.00 117.98 117.33 3cxl s PHE 95 Ca 0.04 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.41 3cxl s PHE 95 Cb -0.13 -1.06 -0.08 0.00 -0.57 0.00 0.00 43.02 41.18 3cxl s PHE 95 CO 0.02 -0.08 1.34 1.03 -0.10 0.00 0.00 175.22 177.43 3cxl s ARG 96 N -0.22 4.36 0.07 0.44 0.52 -1.26 -0.85 118.95 122.00 3cxl s ARG 96 Ca 0.02 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 3cxl s ARG 96 Cb -0.09 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3cxl s ARG 96 CO 0.00 -0.33 0.22 -0.51 0.02 0.00 0.00 175.30 174.70 3cxl s LEU 97 N 0.38 4.36 0.07 2.53 1.43 -0.73 -4.49 118.68 122.23 3cxl s LEU 97 Ca 0.60 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 3cxl s LEU 97 Cb -0.37 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3cxl s LEU 97 CO 0.35 0.16 -0.07 -0.31 0.23 0.00 0.00 176.35 176.71 3cxl s TYR 98 N -1.54 0.77 -0.15 0.29 2.02 -0.48 -4.58 117.35 113.67 3cxl s TYR 98 Ca 0.35 -0.76 -0.07 0.00 -0.37 0.00 0.00 57.07 56.22 3cxl s TYR 98 Cb -0.13 -0.46 0.06 0.00 -0.40 0.00 0.00 41.96 41.04 3cxl s TYR 98 CO 0.28 -0.14 0.35 -0.47 -1.57 0.00 0.00 175.55 174.00 3cxl s TYR 99 N -2.74 -0.54 -0.18 2.71 6.14 -1.26 -2.22 117.35 119.26 3cxl s TYR 99 Ca 0.03 1.16 0.21 0.00 0.64 0.00 0.00 57.07 59.11 3cxl s TYR 99 Cb -0.01 0.18 0.47 0.00 0.42 0.00 0.00 41.96 43.02 3cxl s TYR 99 CO -0.03 -0.34 1.14 -0.40 0.64 0.00 0.00 175.55 176.56 3cxl n ASP 100 N 4.61 1.77 0.00 4.32 5.68 -1.26 -4.91 116.55 126.75 3cxl n ASP 100 Ca -0.19 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 3cxl n ASP 100 Cb 0.53 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3cxl n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cxl n GLY 101 N -0.31 1.84 3.37 6.12 0.00 -1.26 -5.05 105.19 109.90 3cxl n GLY 101 Ca 0.11 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3cxl n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxl s LYS 102 N 0.00 1.36 0.08 1.61 -0.14 -1.26 -4.96 119.74 116.43 3cxl s LYS 102 Ca 0.00 -1.39 -0.15 0.00 -1.36 0.00 0.00 55.97 53.07 3cxl s LYS 102 Cb 0.00 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.45 3cxl s LYS 102 CO 0.00 0.36 0.50 -1.01 -0.76 0.00 0.00 175.35 174.44 3cxl s HIS 103 N -1.56 3.69 -0.16 3.18 3.76 0.02 -4.32 115.29 119.90 3cxl s HIS 103 Ca 0.15 1.07 -0.28 0.00 -0.15 0.00 0.00 55.06 55.85 3cxl s HIS 103 Cb -0.08 -2.36 0.07 0.00 1.11 0.00 0.00 32.58 31.33 3cxl s HIS 103 CO 0.07 0.54 0.71 -0.59 -0.85 0.00 0.00 174.74 174.62 3cxl s PHE 104 N -1.27 -0.71 -0.16 1.40 -0.12 -0.94 -0.03 117.98 116.15 3cxl s PHE 104 Ca 0.31 1.48 0.10 0.00 -0.05 0.00 0.00 56.93 58.78 3cxl s PHE 104 Cb -0.16 0.35 -0.17 0.00 -0.63 0.00 0.00 43.02 42.40 3cxl s PHE 104 CO 0.18 -0.49 -0.00 1.33 -0.05 0.00 0.00 175.22 176.18 3cxl n VAL 105 N 1.74 1.04 0.00 -2.49 0.24 -1.26 -1.38 118.33 116.21 3cxl n VAL 105 Ca -0.16 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 3cxl n VAL 105 Cb 0.56 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 3cxl n VAL 105 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cxl n GLY 106 N 2.21 2.51 0.08 7.63 0.00 -1.26 -4.90 105.19 111.47 3cxl n GLY 106 Ca -0.27 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 3cxl n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cxl h GLU 107 N 0.00 0.12 -6.68 1.61 5.08 -2.02 -3.47 114.58 109.23 3cxl h GLU 107 Ca 0.00 -0.21 -0.50 0.00 -1.00 0.00 0.00 59.36 57.65 3cxl h GLU 107 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3cxl h GLU 107 CO 0.00 1.03 0.30 0.15 -1.00 0.00 0.00 179.01 179.49 3cxl s LYS 108 N -2.67 4.77 -0.22 2.33 1.02 -1.26 -5.05 119.74 118.67 3cxl s LYS 108 Ca -0.03 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.33 3cxl s LYS 108 Cb 0.08 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3cxl s LYS 108 CO 0.84 0.54 -0.10 1.03 -0.92 0.00 0.00 175.35 176.74 3cxl s ARG 109 N -1.17 3.03 0.21 1.68 0.52 -1.26 -4.38 118.95 117.58 3cxl s ARG 109 Ca 0.39 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 3cxl s ARG 109 Cb -0.25 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3cxl s ARG 109 CO 0.30 -0.28 0.11 -0.06 0.02 0.00 0.00 175.30 175.39 3cxl s PHE 110 N 1.35 3.01 -0.35 -0.53 0.08 0.95 -4.90 117.98 117.60 3cxl s PHE 110 Ca 0.03 -0.10 0.23 0.00 0.12 0.00 0.00 56.93 57.21 3cxl s PHE 110 Cb -0.15 -1.40 0.13 0.00 -0.57 0.00 0.00 43.02 41.03 3cxl s PHE 110 CO -0.07 0.54 1.19 0.93 -0.10 0.00 0.00 175.22 177.71 3cxl h GLU 111 N 2.03 0.00 -3.17 0.44 5.08 -1.93 0.09 114.58 117.12 3cxl h GLU 111 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 3cxl h GLU 111 Cb 1.22 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 3cxl h GLU 111 CO 0.61 0.00 -0.36 -1.12 -1.00 0.00 0.00 179.01 177.14 3cxl s SER 112 N -5.30 -0.15 0.16 1.42 0.01 -1.26 -4.83 113.70 103.76 3cxl s SER 112 Ca 0.02 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 3cxl s SER 112 Cb 0.09 0.33 0.08 0.00 0.21 0.00 0.00 66.02 66.74 3cxl s SER 112 CO 0.76 -0.36 1.76 0.40 0.41 0.00 0.00 173.24 176.20 3cxl h ILE 113 N 4.13 0.90 -0.91 1.44 2.04 -1.94 -1.64 117.51 121.53 3cxl h ILE 113 Ca -0.29 -0.11 0.24 0.00 1.00 0.00 0.00 64.86 65.70 3cxl h ILE 113 Cb 1.18 0.56 -0.13 0.00 -0.74 0.00 0.00 36.82 37.69 3cxl h ILE 113 CO 0.39 0.06 0.37 -0.74 0.00 0.00 0.00 178.15 178.23 3cxl h HIS 114 N 0.31 0.60 0.09 1.37 2.76 -1.98 0.46 115.15 118.75 3cxl h HIS 114 Ca 0.18 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3cxl h HIS 114 Cb 0.15 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3cxl h HIS 114 CO -0.14 -0.12 -0.04 -0.44 -1.30 0.00 0.00 177.93 175.89 3cxl h ASP 115 N 0.33 -0.10 -0.68 3.26 3.32 -1.87 -1.02 116.42 119.66 3cxl h ASP 115 Ca 0.59 -0.34 0.15 0.00 0.02 0.00 0.00 57.03 57.44 3cxl h ASP 115 Cb 1.18 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 3cxl h ASP 115 CO -0.58 0.30 0.08 0.25 -1.72 0.00 0.00 179.24 177.57 3cxl h LEU 116 N -0.51 -0.15 -0.55 1.55 6.46 0.05 0.68 115.31 122.85 3cxl h LEU 116 Ca -0.01 0.15 -0.16 0.00 -0.12 0.00 0.00 57.88 57.74 3cxl h LEU 116 Cb 0.43 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 3cxl h LEU 116 CO 0.02 -0.08 -0.62 0.58 -0.62 0.00 0.00 178.44 177.72 3cxl h VAL 117 N 0.19 1.36 0.23 1.05 2.07 -0.18 0.16 116.25 121.13 3cxl h VAL 117 Ca 0.37 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 3cxl h VAL 117 Cb 0.62 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3cxl h VAL 117 CO -0.53 0.59 -0.19 0.74 0.02 0.00 0.00 177.57 178.21 3cxl h THR 118 N 0.28 0.60 -0.50 2.57 2.02 0.07 -0.08 112.91 117.87 3cxl h THR 118 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3cxl h THR 118 Cb 1.15 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3cxl h THR 118 CO 0.10 0.00 0.21 -0.78 0.37 0.00 0.00 175.52 175.43 3cxl h ASP 119 N -0.43 0.64 0.06 4.18 3.58 -0.72 -2.30 116.42 121.44 3cxl h ASP 119 Ca -0.01 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.38 3cxl h ASP 119 Cb 0.38 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3cxl h ASP 119 CO -0.02 0.58 -0.09 1.23 -2.88 0.00 0.00 179.24 178.06 3cxl h GLY 120 N 0.84 -0.15 1.63 -0.78 0.00 -0.29 -1.17 103.07 103.15 3cxl h GLY 120 Ca 0.17 0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 3cxl h GLY 120 CO -0.02 -0.09 -0.45 1.41 0.00 0.00 0.00 176.54 177.39 3cxl h LEU 121 N -0.18 0.43 -0.45 3.11 3.38 -0.79 -1.13 115.31 119.68 3cxl h LEU 121 Ca 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3cxl h LEU 121 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3cxl h LEU 121 CO -0.04 0.83 0.23 0.40 0.09 0.00 0.00 178.44 179.94 3cxl h ILE 122 N 0.32 1.17 -0.14 1.22 2.04 -1.34 -1.28 117.51 119.51 3cxl h ILE 122 Ca 0.02 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3cxl h ILE 122 Cb 0.93 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3cxl h ILE 122 CO 0.08 0.18 0.07 0.74 0.00 0.00 0.00 178.15 179.23 3cxl h THR 123 N 0.58 1.10 -0.15 -0.27 2.02 -0.79 -1.46 112.91 113.94 3cxl h THR 123 Ca 0.15 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3cxl h THR 123 Cb 0.08 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3cxl h THR 123 CO -0.02 0.09 0.08 -0.07 0.37 0.00 0.00 175.52 175.97 3cxl h LEU 124 N 0.12 0.18 0.31 2.58 3.38 -1.17 0.56 115.31 121.28 3cxl h LEU 124 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3cxl h LEU 124 Cb 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3cxl h LEU 124 CO -0.01 0.21 -0.44 0.22 0.09 0.00 0.00 178.44 178.51 3cxl h TYR 125 N 0.14 -1.23 0.14 1.13 3.20 -1.18 -0.99 116.97 118.18 3cxl h TYR 125 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3cxl h TYR 125 Cb 0.07 0.50 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3cxl h TYR 125 CO -0.04 -0.58 -0.07 0.82 -1.64 0.00 0.00 178.16 176.66 3cxl h ILE 126 N -0.81 1.01 0.00 1.81 2.04 -1.20 -0.64 117.51 119.72 3cxl h ILE 126 Ca -0.02 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3cxl h ILE 126 Cb 0.75 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3cxl h ILE 126 CO -0.14 0.17 -0.04 -0.33 0.00 0.00 0.00 178.15 177.81 3cxl h GLU 127 N -0.53 0.00 0.12 2.37 5.08 -0.92 -0.29 114.58 120.41 3cxl h GLU 127 Ca -0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 3cxl h GLU 127 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3cxl h GLU 127 CO 0.03 0.04 -1.50 1.15 -1.00 0.00 0.00 179.01 177.72 3cxl h THR 128 N 0.00 0.98 0.03 1.13 2.02 -1.04 -3.23 112.91 112.79 3cxl h THR 128 Ca -0.00 -2.40 -0.23 0.00 0.77 0.00 0.00 66.41 64.55 3cxl h THR 128 Cb 0.08 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3cxl h THR 128 CO 0.00 0.73 -0.99 0.50 0.37 0.00 0.00 175.52 176.13 3cxl h LYS 129 N -0.24 0.35 -0.43 6.66 3.64 -0.92 -3.34 116.57 122.30 3cxl h LYS 129 Ca -0.32 -0.41 -0.26 0.00 -1.27 0.00 0.00 60.65 58.38 3cxl h LYS 129 Cb 1.81 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 33.59 3cxl h LYS 129 CO 0.07 1.11 -0.20 0.00 -2.27 0.00 0.00 179.45 178.15 3cxl n ALA 130 N -2.53 4.54 0.28 5.00 0.00 -0.14 -4.82 120.51 122.84 3cxl n ALA 130 Ca -0.07 -3.32 -0.18 0.00 0.00 0.00 0.00 53.44 49.87 3cxl n ALA 130 Cb 0.87 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 3cxl n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxl h ALA 131 N 1.29 -1.14 -0.24 0.00 0.00 -1.68 0.37 119.26 117.86 3cxl h ALA 131 Ca 0.25 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3cxl h ALA 131 Cb 1.49 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 19.98 3cxl h ALA 131 CO 0.50 -1.19 -0.20 0.93 0.00 0.00 0.00 179.25 179.29 3cxl h GLU 132 N -1.00 -0.20 -0.35 0.00 5.08 -1.90 0.11 114.58 116.32 3cxl h GLU 132 Ca -0.06 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3cxl h GLU 132 Cb 0.87 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 3cxl h GLU 132 CO -0.09 -0.13 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.86 3cxl h TYR 133 N -0.20 -0.04 -0.61 4.33 3.20 -1.79 0.28 116.97 122.13 3cxl h TYR 133 Ca 0.14 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3cxl h TYR 133 Cb 0.41 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3cxl h TYR 133 CO -0.36 -0.07 0.09 0.82 -1.64 0.00 0.00 178.16 176.99 3cxl h ILE 134 N 0.08 1.26 -0.90 1.81 2.04 0.01 0.43 117.51 122.24 3cxl h ILE 134 Ca 0.17 -1.01 0.12 0.00 1.00 0.00 0.00 64.86 65.14 3cxl h ILE 134 Cb 0.24 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 3cxl h ILE 134 CO -0.29 0.37 0.53 0.00 0.00 0.00 0.00 178.15 178.76 3cxl h ALA 135 N 1.14 1.34 -0.34 1.87 0.00 0.84 -2.91 119.26 121.21 3cxl h ALA 135 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3cxl h ALA 135 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3cxl h ALA 135 CO 0.01 0.11 0.00 1.63 0.00 0.00 0.00 179.25 181.00 3cxl n LYS 136 N -4.72 2.28 -0.20 0.00 5.02 -0.08 -4.54 118.16 115.92 3cxl n LYS 136 Ca 0.17 -2.08 0.30 0.00 -2.02 0.00 0.00 58.31 54.67 3cxl n LYS 136 Cb 0.34 -1.42 0.72 0.00 -0.02 0.00 0.00 35.03 34.66 3cxl n LYS 136 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3cxl h MET 137 N 3.60 0.00 -0.01 1.97 2.86 0.04 -2.64 114.93 120.75 3cxl h MET 137 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3cxl h MET 137 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3cxl h MET 137 CO 0.00 0.00 -0.31 0.25 1.06 0.00 0.00 176.91 177.91 3cxl n THR 138 N -4.02 0.00 -2.62 2.22 -2.24 -1.26 -4.86 114.28 101.49 3cxl n THR 138 Ca 0.20 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 3cxl n THR 138 Cb 1.08 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 3cxl n THR 138 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3cxl s ILE 139 N -2.47 3.92 -0.83 2.28 -5.25 -1.00 -3.99 121.20 113.86 3cxl s ILE 139 Ca 0.23 1.82 -0.02 0.00 -0.99 0.00 0.00 60.65 61.69 3cxl s ILE 139 Cb 0.19 -4.16 -0.02 0.00 2.95 0.00 0.00 42.46 41.42 3cxl s ILE 139 CO 0.53 0.39 0.76 0.59 -1.79 0.00 0.00 174.94 175.42 3cxl n ASN 140 N 1.76 -7.45 -4.85 4.36 5.03 -1.26 -5.01 115.26 107.84 3cxl n ASN 140 Ca -0.00 -0.26 -0.31 0.00 0.87 0.00 0.00 54.58 54.88 3cxl n ASN 140 Cb 0.46 -5.24 0.02 0.00 -1.02 0.00 0.00 39.78 34.00 3cxl n ASN 140 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3cxl s PRO 141 N -3.42 3.40 0.11 3.52 0.04 -1.26 -5.00 135.00 132.40 3cxl s PRO 141 Ca 0.13 0.83 0.23 0.00 0.04 0.00 0.00 61.00 62.22 3cxl s PRO 141 Cb -0.02 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3cxl s PRO 141 CO 0.75 -0.73 0.97 0.44 0.04 0.00 0.00 177.00 178.47 3cxl n ILE 142 N -2.82 0.35 -0.30 0.56 -5.35 -0.61 -4.64 119.36 106.55 3cxl n ILE 142 Ca 0.07 -0.42 0.04 0.00 -0.27 0.00 0.00 62.75 62.16 3cxl n ILE 142 Cb 0.54 -0.09 0.12 0.00 -1.74 0.00 0.00 39.64 38.47 3cxl n ILE 142 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3cxl h TYR 143 N 0.00 -0.41 -0.02 4.28 3.20 -1.70 0.75 116.97 123.08 3cxl h TYR 143 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3cxl h TYR 143 Cb 0.89 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3cxl h TYR 143 CO 0.00 -0.36 0.00 -1.91 -1.64 0.00 0.00 178.16 174.25 3cxl n GLU 144 N -5.53 1.28 -0.01 1.82 4.07 -1.26 -4.06 120.64 116.95 3cxl n GLU 144 Ca 0.13 -0.40 -0.01 0.00 -0.06 0.00 0.00 57.16 56.82 3cxl n GLU 144 Cb 0.45 -1.47 -0.00 0.00 -0.06 0.00 0.00 31.44 30.35 3cxl n GLU 144 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3cxl n HIS 145 N -0.49 0.00 -3.36 4.31 8.25 0.06 -4.49 115.22 119.50 3cxl n HIS 145 Ca 0.21 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.39 3cxl n HIS 145 Cb 0.20 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 3cxl n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3cxl s VAL 146 N -2.02 5.05 0.00 1.59 1.01 -0.04 -3.54 120.40 122.44 3cxl s VAL 146 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3cxl s VAL 146 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3cxl s VAL 146 CO 0.02 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.38 3cxl n GLY 147 N -1.05 -0.64 3.35 4.51 0.00 -1.26 -4.76 105.19 105.34 3cxl n GLY 147 Ca -0.02 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 3cxl n GLY 147 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cxl s TYR 148 N 0.00 1.65 0.11 1.61 1.51 -1.26 -3.15 117.35 117.82 3cxl s TYR 148 Ca 0.00 -0.76 -0.03 0.00 -1.01 0.00 0.00 57.07 55.27 3cxl s TYR 148 Cb 0.00 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 3cxl s TYR 148 CO 0.00 0.15 0.20 -2.37 -1.11 0.00 0.00 175.55 172.42 3cxl n THR 149 N -0.42 0.00 -4.18 -0.71 5.66 -0.67 -4.67 114.28 109.29 3cxl n THR 149 Ca -0.07 -0.35 -0.19 0.00 -3.05 0.00 0.00 64.05 60.39 3cxl n THR 149 Cb 0.62 0.29 -0.16 0.00 -1.55 0.00 0.00 70.33 69.54 3cxl n THR 149 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cxl s THR 150 N -2.68 0.51 0.00 1.09 -4.23 -1.26 -1.41 115.64 107.65 3cxl s THR 150 Ca 0.06 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 3cxl s THR 150 Cb -0.01 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.32 3cxl s THR 150 CO 0.04 0.19 0.00 0.18 -0.54 0.00 0.00 174.62 174.50 3cxl n LEU 151 N 3.67 0.00 -4.67 4.79 4.77 -1.26 -4.97 117.00 119.33 3cxl n LEU 151 Ca -0.22 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 3cxl n LEU 151 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3cxl n LEU 151 CO 0.24 0.00 0.94 -0.04 -1.33 0.00 0.00 177.39 177.21 3cxl s MET 161 N -1.61 4.32 0.48 3.23 1.00 -1.26 -5.29 119.30 120.17 3cxl s MET 161 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 55.69 57.26 3cxl s MET 161 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 34.83 31.17 3cxl s MET 161 CO 0.00 -0.53 0.01 -1.25 0.00 0.00 0.00 175.02 173.25 3cxl s PRO 162 N 2.73 2.13 -0.09 2.03 0.05 -0.50 -4.98 135.00 136.36 3cxl s PRO 162 Ca 0.51 -2.33 -0.14 0.00 0.05 0.00 0.00 61.00 59.10 3cxl s PRO 162 Cb -0.20 -1.52 -0.05 0.00 0.05 0.00 0.00 34.50 32.78 3cxl s PRO 162 CO 0.16 -0.29 0.33 0.14 0.05 0.00 0.00 177.00 177.39 3cxl s VAL 163 N -2.85 5.22 0.20 -0.36 -7.23 -1.26 -1.67 120.40 112.45 3cxl s VAL 163 Ca 0.13 0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 60.86 3cxl s VAL 163 Cb 0.04 -3.65 0.13 0.00 0.56 0.00 0.00 36.38 33.46 3cxl s VAL 163 CO 0.07 0.48 1.75 -0.07 -0.31 0.00 0.00 175.10 177.02 3cxl h LEU 164 N 5.74 0.26 -1.68 1.32 4.07 -1.81 0.22 115.31 123.43 3cxl h LEU 164 Ca -0.47 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.56 3cxl h LEU 164 Cb 1.19 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3cxl h LEU 164 CO 0.68 0.16 0.11 0.07 -1.08 0.00 0.00 178.44 178.38 3cxl h LYS 165 N 0.43 0.00 -0.01 1.13 2.10 -1.78 -1.24 116.57 117.19 3cxl h LYS 165 Ca 0.29 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.89 3cxl h LYS 165 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3cxl h LYS 165 CO -0.28 0.00 -0.20 1.05 -2.00 0.00 0.00 179.45 178.02 3cxl h GLU 166 N 0.00 0.16 0.00 0.07 9.09 -1.30 -3.52 114.58 119.08 3cxl h GLU 166 Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.25 3cxl h GLU 166 Cb 0.21 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3cxl h GLU 166 CO 0.00 0.86 0.00 2.41 0.05 0.00 0.00 179.01 182.33 3cxl n THR 167 N -4.55 0.00 -3.66 -1.06 -1.04 -0.47 -5.09 114.28 98.41 3cxl n THR 167 Ca -0.09 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.69 3cxl n THR 167 Cb 0.46 0.00 -0.18 0.00 -1.82 0.00 0.00 70.33 68.80 3cxl n THR 167 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3cxl s GLU 203 N 0.00 0.03 -0.05 -2.82 2.12 -1.26 -5.14 118.70 111.58 3cxl s GLU 203 Ca 0.00 0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.51 3cxl s GLU 203 Cb 0.00 -1.02 0.03 0.00 0.26 0.00 0.00 34.13 33.39 3cxl s GLU 203 CO 0.00 -0.45 -0.02 0.15 -0.54 0.00 0.00 175.26 174.40 3cxl s LYS 204 N 2.14 0.65 0.22 4.30 -0.14 -1.09 -4.99 119.74 120.83 3cxl s LYS 204 Ca 0.04 0.02 -0.31 0.00 -1.36 0.00 0.00 55.97 54.36 3cxl s LYS 204 Cb -0.13 -0.85 -0.10 0.00 -1.68 0.00 0.00 37.83 35.07 3cxl s LYS 204 CO -0.05 -0.19 1.49 0.42 -0.76 0.00 0.00 175.35 176.26 3cxl s ILE 205 N 1.40 2.62 1.21 2.17 1.01 -1.26 -2.08 121.20 126.28 3cxl s ILE 205 Ca -0.04 0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 3cxl s ILE 205 Cb -0.13 -3.31 0.31 0.00 0.01 0.00 0.00 42.46 39.33 3cxl s ILE 205 CO -0.03 0.06 0.88 1.41 0.00 0.00 0.00 174.94 177.27 3cxl n HIS 206 N 2.92 -3.71 -3.33 3.97 8.25 -1.26 -4.85 115.22 117.20 3cxl n HIS 206 Ca 0.09 -0.81 -0.24 0.00 -0.26 0.00 0.00 57.72 56.50 3cxl n HIS 206 Cb 0.39 -1.07 -0.09 0.00 1.12 0.00 0.00 29.99 30.34 3cxl n HIS 206 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3cxl s ASN 207 N -3.57 1.32 -0.12 0.41 2.47 -1.26 -5.09 114.94 109.09 3cxl s ASN 207 Ca 0.62 -2.63 -0.25 0.00 0.42 0.00 0.00 52.86 51.02 3cxl s ASN 207 Cb -0.08 -0.07 -0.02 0.00 -1.45 0.00 0.00 41.25 39.63 3cxl s ASN 207 CO 0.50 -0.19 0.79 -0.36 -3.72 0.00 0.00 177.10 174.12 3cxl s PHE 208 N 0.46 3.49 0.08 0.43 0.08 -1.26 -1.99 117.98 119.25 3cxl s PHE 208 Ca 0.29 1.27 0.09 0.00 0.12 0.00 0.00 56.93 58.70 3cxl s PHE 208 Cb -0.03 -2.94 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 3cxl s PHE 208 CO -0.13 -0.11 -0.24 0.15 -0.10 0.00 0.00 175.22 174.79 3cxl s LYS 209 N 1.61 1.48 0.28 0.44 1.02 -0.49 -4.93 119.74 119.15 3cxl s LYS 209 Ca 0.39 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 3cxl s LYS 209 Cb -0.17 -1.74 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 3cxl s LYS 209 CO 0.15 0.43 1.48 1.55 -0.92 0.00 0.00 175.35 178.05 3cxl n VAL 210 N 1.47 1.17 -4.03 3.17 3.14 -1.26 -0.60 118.33 121.38 3cxl n VAL 210 Ca -0.18 -0.29 -0.10 0.00 -2.96 0.00 0.00 64.34 60.82 3cxl n VAL 210 Cb 0.53 -1.73 -0.11 0.00 -1.06 0.00 0.00 33.84 31.47 3cxl n VAL 210 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3cxl s HIS 211 N -0.22 0.44 -0.21 1.45 2.46 -0.45 -4.78 115.29 113.97 3cxl s HIS 211 Ca 0.64 -0.65 -0.00 0.00 0.47 0.00 0.00 55.06 55.52 3cxl s HIS 211 Cb -0.56 -0.29 0.02 0.00 -0.13 0.00 0.00 32.58 31.61 3cxl s HIS 211 CO 0.51 -0.20 -0.13 0.99 -2.47 0.00 0.00 174.74 173.45 3cxl s THR 212 N -2.04 2.54 -0.25 0.89 2.01 -1.26 -3.46 115.64 114.07 3cxl s THR 212 Ca -0.09 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.83 3cxl s THR 212 Cb -0.06 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3cxl s THR 212 CO -0.03 0.38 0.39 -0.36 -0.69 0.00 0.00 174.62 174.32 3cxl s PHE 213 N 1.32 3.29 -0.43 4.92 0.40 -1.26 -4.97 117.98 121.25 3cxl s PHE 213 Ca 0.03 0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 56.60 3cxl s PHE 213 Cb -0.15 -2.57 0.02 0.00 0.51 0.00 0.00 43.02 40.84 3cxl s PHE 213 CO -0.08 -0.16 0.91 1.03 0.70 0.00 0.00 175.22 177.62 3cxl s ARG 214 N 1.85 3.62 0.00 0.44 1.81 -1.26 -4.78 118.95 120.64 3cxl s ARG 214 Ca 0.17 0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.44 3cxl s ARG 214 Cb -0.15 -3.89 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 3cxl s ARG 214 CO 0.09 -1.13 0.00 0.41 -0.68 0.00 0.00 175.30 173.99 3cxl n GLY 215 N 4.77 1.17 3.74 -3.53 0.00 -1.26 -4.96 105.19 105.12 3cxl n GLY 215 Ca 0.06 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3cxl n GLY 215 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cxl s PRO 216 N -3.95 4.21 0.11 1.61 0.04 -1.26 -5.01 135.00 130.75 3cxl s PRO 216 Ca 0.00 2.40 0.05 0.00 0.04 0.00 0.00 61.00 63.49 3cxl s PRO 216 Cb 0.00 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3cxl s PRO 216 CO 0.00 -0.53 -0.12 -1.01 0.04 0.00 0.00 177.00 175.37 3cxl s HIS 217 N 0.32 1.23 0.14 0.56 3.76 -1.26 -4.57 115.29 115.47 3cxl s HIS 217 Ca 0.64 -0.60 0.08 0.00 -0.15 0.00 0.00 55.06 55.03 3cxl s HIS 217 Cb -0.44 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.55 3cxl s HIS 217 CO 0.41 0.07 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.71 3cxl s TRP 218 N -2.23 2.73 0.04 1.40 0.51 -1.26 -2.40 118.94 117.73 3cxl s TRP 218 Ca 0.07 -0.17 -0.31 0.00 -2.12 0.00 0.00 56.10 53.57 3cxl s TRP 218 Cb -0.04 -1.38 -0.06 0.00 -0.81 0.00 0.00 33.47 31.18 3cxl s TRP 218 CO 0.02 0.46 1.28 0.00 -0.51 0.00 0.00 176.95 178.20 3cxl n GLU 220 N 4.40 2.21 -0.07 0.00 1.02 0.74 -0.68 120.64 128.25 3cxl n GLU 220 Ca 0.11 -1.20 -0.16 0.00 -0.02 0.00 0.00 57.16 55.89 3cxl n GLU 220 Cb 0.45 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 3cxl n GLU 220 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3cxl n TYR 221 N 0.31 0.00 0.47 -0.32 9.36 -1.26 -4.19 117.16 121.54 3cxl n TYR 221 Ca 0.11 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.38 3cxl n TYR 221 Cb 0.47 -0.53 0.04 0.00 -0.63 0.00 0.00 39.34 38.69 3cxl n TYR 221 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cxl n ALA 223 N 0.50 0.00 -2.84 0.00 0.00 0.14 -4.81 120.51 113.50 3cxl n ALA 223 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 3cxl n ALA 223 Cb 0.27 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 3cxl n ALA 223 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cxl s ASN 224 N -2.21 6.34 0.44 0.00 0.01 -1.25 -1.80 114.94 116.47 3cxl s ASN 224 Ca 0.00 0.26 -0.26 0.00 -0.71 0.00 0.00 52.86 52.16 3cxl s ASN 224 Cb 0.00 -1.95 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 3cxl s ASN 224 CO 0.00 -0.09 1.42 0.12 -1.51 0.00 0.00 177.10 177.04 3cxl s PHE 225 N -1.98 2.51 -0.51 2.20 5.36 -1.26 -0.60 117.98 123.69 3cxl s PHE 225 Ca 0.37 1.27 -0.16 0.00 -0.96 0.00 0.00 56.93 57.44 3cxl s PHE 225 Cb -0.10 -3.91 0.09 0.00 -0.34 0.00 0.00 43.02 38.76 3cxl s PHE 225 CO 0.30 -2.86 0.48 -1.64 -1.46 0.00 0.00 175.22 170.04 3cxl s MET 226 N -2.39 3.00 0.46 10.12 -1.94 -1.01 -4.78 119.30 122.77 3cxl s MET 226 Ca 0.60 -1.43 -0.03 0.00 -1.71 0.00 0.00 55.69 53.11 3cxl s MET 226 Cb -0.43 -4.20 -0.02 0.00 2.01 0.00 0.00 34.83 32.18 3cxl s MET 226 CO 0.56 -1.19 0.73 1.67 -0.01 0.00 0.00 175.02 176.79 3cxl s TRP 227 N 1.79 3.46 0.00 -0.03 -2.14 -1.26 -4.71 118.94 116.05 3cxl s TRP 227 Ca 0.05 0.61 0.00 0.00 2.66 0.00 0.00 56.10 59.42 3cxl s TRP 227 Cb -0.26 -2.28 0.00 0.00 -3.10 0.00 0.00 33.47 27.84 3cxl s TRP 227 CO 0.06 -0.28 0.00 0.41 -2.66 0.00 0.00 176.95 174.48 3cxl n GLY 228 N -2.18 2.37 0.09 3.67 0.00 -1.26 -4.50 105.19 103.38 3cxl n GLY 228 Ca 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.82 3cxl n GLY 228 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cxl n LEU 229 N 0.00 0.38 -4.08 0.99 7.94 -1.26 -4.89 117.00 116.09 3cxl n LEU 229 Ca 0.00 0.18 -0.10 0.00 -1.11 0.00 0.00 56.01 54.98 3cxl n LEU 229 Cb 0.00 0.31 -0.07 0.00 0.53 0.00 0.00 43.42 44.19 3cxl n LEU 229 CO 0.00 0.39 0.01 0.27 -1.11 0.00 0.00 177.39 176.94 3cxl s ILE 230 N -2.65 0.00 -1.00 1.96 -4.36 -1.26 -4.94 121.20 108.96 3cxl s ILE 230 Ca -0.07 -1.64 -0.13 0.00 -0.26 0.00 0.00 60.65 58.55 3cxl s ILE 230 Cb 0.07 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.50 3cxl s ILE 230 CO 0.83 -0.02 0.24 0.00 0.24 0.00 0.00 174.94 176.24 3cxl n ALA 231 N -0.33 -1.94 0.78 2.27 0.00 -1.24 -4.78 120.51 115.26 3cxl n ALA 231 Ca -0.00 -0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.20 3cxl n ALA 231 Cb 0.64 -1.20 0.47 0.00 0.00 0.00 0.00 19.45 19.36 3cxl n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxl n GLN 232 N -3.76 0.15 -0.19 0.00 0.00 -1.22 -4.91 117.38 107.45 3cxl n GLN 232 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 57.00 56.96 3cxl n GLN 232 Cb 0.45 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 29.02 3cxl n GLN 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cxl n GLY 233 N 1.39 2.55 3.32 2.61 0.00 -1.24 -4.53 105.19 109.29 3cxl n GLY 233 Ca 0.06 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 3cxl n GLY 233 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cxl s VAL 234 N -2.86 1.94 0.04 1.61 -7.23 -0.31 -1.34 120.40 112.25 3cxl s VAL 234 Ca 0.00 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 3cxl s VAL 234 Cb 0.00 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 3cxl s VAL 234 CO 0.00 0.08 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.93 3cxl s LYS 235 N -1.78 1.31 -0.08 4.82 2.20 0.23 -2.17 119.74 124.27 3cxl s LYS 235 Ca 0.10 -0.89 -0.27 0.00 -0.36 0.00 0.00 55.97 54.55 3cxl s LYS 235 Cb -0.10 -1.40 -0.02 0.00 -1.51 0.00 0.00 37.83 34.80 3cxl s LYS 235 CO 0.04 0.36 0.87 0.00 -0.36 0.00 0.00 175.35 176.26 3cxl h ALA 237 N 6.98 1.00 0.00 0.00 0.00 -1.77 -1.45 119.26 124.02 3cxl h ALA 237 Ca -0.36 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 3cxl h ALA 237 Cb 1.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3cxl h ALA 237 CO 0.79 0.11 -1.23 -0.25 0.00 0.00 0.00 179.25 178.67 3cxl n ASP 238 N -3.20 1.86 -0.01 0.00 8.00 -1.26 -4.72 116.55 117.21 3cxl n ASP 238 Ca 0.01 0.45 0.06 0.00 0.71 0.00 0.00 54.79 56.02 3cxl n ASP 238 Cb 0.38 -0.95 -0.12 0.00 -0.02 0.00 0.00 41.12 40.42 3cxl n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cxl n GLY 240 N 1.70 0.75 3.71 0.00 0.00 -0.55 -1.89 105.19 108.91 3cxl n GLY 240 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3cxl n GLY 240 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cxl n LEU 241 N 0.00 3.74 -4.40 0.99 7.94 -1.26 -4.57 117.00 119.44 3cxl n LEU 241 Ca 0.00 1.10 -0.37 0.00 -1.11 0.00 0.00 56.01 55.63 3cxl n LEU 241 Cb 0.00 -1.52 -0.12 0.00 0.53 0.00 0.00 43.42 42.30 3cxl n LEU 241 CO 0.00 -0.03 -0.26 0.20 -1.11 0.00 0.00 177.39 176.19 3cxl s ASN 242 N 0.82 5.23 0.26 1.96 0.01 -1.26 -1.73 114.94 120.23 3cxl s ASN 242 Ca 0.72 -0.48 -0.02 0.00 -0.71 0.00 0.00 52.86 52.37 3cxl s ASN 242 Cb -0.57 -1.93 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 3cxl s ASN 242 CO 0.40 -0.14 0.29 0.68 -1.51 0.00 0.00 177.10 176.82 3cxl s VAL 243 N 1.57 0.00 0.48 1.60 -7.23 -0.92 -0.19 120.40 115.71 3cxl s VAL 243 Ca 0.04 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.20 3cxl s VAL 243 Cb -0.16 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 3cxl s VAL 243 CO 0.04 0.00 0.99 -1.00 -0.31 0.00 0.00 175.10 174.82 3cxl s HIS 244 N -3.77 3.21 0.22 2.82 3.76 -1.26 -1.16 115.29 119.10 3cxl s HIS 244 Ca 0.35 1.57 -0.16 0.00 -0.15 0.00 0.00 55.06 56.67 3cxl s HIS 244 Cb 0.03 -2.92 0.23 0.00 1.11 0.00 0.00 32.58 31.03 3cxl s HIS 244 CO 0.16 -0.47 1.59 -0.22 -0.85 0.00 0.00 174.74 174.95 3cxl h LYS 245 N 1.49 -0.06 -0.18 1.40 3.64 -1.89 0.18 116.57 121.16 3cxl h LYS 245 Ca -0.49 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.71 3cxl h LYS 245 Cb 1.20 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3cxl h LYS 245 CO 0.60 -0.04 -0.64 1.96 -2.27 0.00 0.00 179.45 179.06 3cxl h GLN 246 N -0.07 0.65 0.00 1.90 4.20 -2.00 -2.55 115.11 117.25 3cxl h GLN 246 Ca 0.31 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3cxl h GLN 246 Cb 0.56 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3cxl h GLN 246 CO -0.76 1.08 -0.04 0.00 -0.67 0.00 0.00 178.83 178.43 3cxl h SER 248 N 0.00 0.84 0.70 0.00 4.64 -0.23 -0.64 113.55 118.86 3cxl h SER 248 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3cxl h SER 248 Cb 0.10 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3cxl h SER 248 CO 0.01 0.50 0.00 0.29 -0.87 0.00 0.00 176.83 176.76 3cxl n LYS 249 N -4.53 0.03 -0.01 4.77 5.02 -1.11 -3.19 118.16 119.14 3cxl n LYS 249 Ca 0.15 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.68 3cxl n LYS 249 Cb 0.29 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.65 3cxl n LYS 249 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3cxl n MET 250 N -1.48 0.46 -2.35 1.97 2.81 -0.27 -4.95 117.12 113.32 3cxl n MET 250 Ca 0.06 -0.13 -0.42 0.00 -1.81 0.00 0.00 57.70 55.40 3cxl n MET 250 Cb 0.24 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 3cxl n MET 250 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3cxl s VAL 251 N -3.30 3.90 0.78 2.03 1.01 -1.11 -5.00 120.40 118.70 3cxl s VAL 251 Ca -0.02 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 3cxl s VAL 251 Cb 0.14 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3cxl s VAL 251 CO 0.88 0.06 0.74 -2.65 0.00 0.00 0.00 175.10 174.13 3cxl n PRO 252 N 4.48 0.22 -1.67 2.72 -0.02 -1.26 -4.88 135.00 134.59 3cxl n PRO 252 Ca 0.11 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 3cxl n PRO 252 Cb 0.45 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3cxl n PRO 252 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cxl n ASN 253 N -1.38 3.63 -1.55 2.55 3.02 -1.26 -4.52 115.26 115.75 3cxl n ASN 253 Ca 0.11 -2.81 -0.04 0.00 -0.03 0.00 0.00 54.58 51.81 3cxl n ASN 253 Cb 0.50 -1.55 0.09 0.00 -0.61 0.00 0.00 39.78 38.22 3cxl n ASN 253 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3cxl n ASP 254 N 6.74 2.47 -4.69 6.41 5.68 -1.19 -2.66 116.55 129.30 3cxl n ASP 254 Ca 0.51 -3.18 -0.42 0.00 -0.50 0.00 0.00 54.79 51.20 3cxl n ASP 254 Cb 0.40 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 3cxl n ASP 254 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cxl s LYS 256 N 3.03 1.91 0.61 0.00 -0.14 -1.26 -4.49 119.74 119.40 3cxl s LYS 256 Ca 0.82 -2.54 0.30 0.00 -1.36 0.00 0.00 55.97 53.18 3cxl s LYS 256 Cb -0.45 -3.28 1.63 0.00 -1.68 0.00 0.00 37.83 34.06 3cxl s LYS 256 CO 0.37 -1.10 2.01 -1.35 -0.76 0.00 0.00 175.35 174.52 3cxl h PRO 257 N 6.60 0.00 0.00 -1.68 0.11 -1.93 -1.11 132.00 133.99 3cxl h PRO 257 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3cxl h PRO 257 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3cxl h PRO 257 CO 0.67 0.00 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.98 3cxl h ASP 258 N 0.00 0.00 -0.05 -2.05 5.19 -1.93 -2.65 116.42 114.93 3cxl h ASP 258 Ca 0.11 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3cxl h ASP 258 Cb 0.73 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 3cxl h ASP 258 CO -0.00 0.04 0.07 -0.07 -3.12 0.00 0.00 179.24 176.16 3cxl h LEU 259 N 0.00 0.00 -0.09 1.55 4.07 -1.42 -2.04 115.31 117.37 3cxl h LEU 259 Ca -0.00 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.99 3cxl h LEU 259 Cb 0.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3cxl h LEU 259 CO 0.00 0.00 -0.10 0.07 -1.08 0.00 0.00 178.44 177.34 3cxl h LYS 260 N 0.00 -0.12 -1.05 1.13 2.10 -0.99 -2.80 116.57 114.84 3cxl h LYS 260 Ca 0.02 0.01 0.29 0.00 -2.00 0.00 0.00 60.65 58.97 3cxl h LYS 260 Cb 0.17 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 31.46 3cxl h LYS 260 CO -0.00 -0.08 0.73 0.45 -2.00 0.00 0.00 179.45 178.55 3cxl h HIS 261 N -0.12 0.21 -2.52 0.07 3.86 -1.58 -3.37 115.15 111.70 3cxl h HIS 261 Ca 0.07 0.01 -0.64 0.00 -1.16 0.00 0.00 60.37 58.64 3cxl h HIS 261 Cb 0.22 -0.06 -0.15 0.00 1.06 0.00 0.00 27.41 28.48 3cxl h HIS 261 CO -0.21 0.02 0.67 0.54 0.86 0.00 0.00 177.93 179.81 3cxl s VAL 262 N -5.13 4.42 -0.26 2.45 0.11 -1.06 -5.01 120.40 115.91 3cxl s VAL 262 Ca -0.06 -0.71 -0.29 0.00 -2.93 0.00 0.00 61.98 57.98 3cxl s VAL 262 Cb 0.23 -4.73 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 3cxl s VAL 262 CO 0.79 -1.49 1.19 -0.54 -3.33 0.00 0.00 175.10 171.72 3cxl s LYS 263 N 3.73 4.08 0.53 1.54 -0.14 -1.26 -5.00 119.74 123.22 3cxl s LYS 263 Ca 0.26 1.31 -0.19 0.00 -1.36 0.00 0.00 55.97 55.99 3cxl s LYS 263 Cb -0.13 -3.78 -0.07 0.00 -1.68 0.00 0.00 37.83 32.18 3cxl s LYS 263 CO 0.04 -0.89 1.08 0.15 -0.76 0.00 0.00 175.35 174.96 3cxl s LYS 264 N 3.73 3.54 -0.04 1.68 1.02 -1.26 -4.72 119.74 123.69 3cxl s LYS 264 Ca 0.51 1.43 -0.05 0.00 0.02 0.00 0.00 55.97 57.88 3cxl s LYS 264 Cb -0.16 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3cxl s LYS 264 CO 0.17 -0.66 -0.11 0.28 -0.92 0.00 0.00 175.35 174.10 3cxl n VAL 265 N -1.28 0.87 -1.85 3.17 0.31 -1.26 -4.91 118.33 113.38 3cxl n VAL 265 Ca 0.10 0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 64.13 3cxl n VAL 265 Cb 0.52 -1.72 0.04 0.00 -0.91 0.00 0.00 33.84 31.77 3cxl n VAL 265 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3cxl s TYR 266 N -2.22 2.31 0.00 3.52 2.02 -1.26 -3.02 117.35 118.70 3cxl s TYR 266 Ca -0.11 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 3cxl s TYR 266 Cb 0.03 -3.71 0.00 0.00 -0.40 0.00 0.00 41.96 37.88 3cxl s TYR 266 CO 0.15 -2.70 0.00 0.43 -1.57 0.00 0.00 175.55 171.85 3cxl n SER 267 N -1.21 -2.47 -4.82 2.29 7.64 -1.25 -4.99 113.62 108.81 3cxl n SER 267 Ca 0.11 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.62 3cxl n SER 267 Cb 0.46 -1.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.01 3cxl n SER 267 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cxl n ASP 269 N 2.13 2.12 -0.04 0.00 2.03 -1.26 -4.64 116.55 116.88 3cxl n ASP 269 Ca -0.14 1.10 -0.14 0.00 0.52 0.00 0.00 54.79 56.13 3cxl n ASP 269 Cb 0.53 -1.24 -0.09 0.00 -0.72 0.00 0.00 41.12 39.59 3cxl n ASP 269 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3cxl h LEU 270 N 5.41 -1.70 -0.59 -2.67 5.85 -1.96 -0.11 115.31 119.55 3cxl h LEU 270 Ca -0.47 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3cxl h LEU 270 Cb 1.31 0.68 -0.04 0.00 0.37 0.00 0.00 40.66 42.98 3cxl h LEU 270 CO 0.83 -0.46 0.36 0.74 -0.34 0.00 0.00 178.44 179.58 3cxl h THR 271 N -0.52 1.08 -0.66 1.05 2.02 -1.94 -1.84 112.91 112.10 3cxl h THR 271 Ca 0.05 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 67.03 3cxl h THR 271 Cb 0.66 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3cxl h THR 271 CO -0.48 0.13 0.39 0.74 0.37 0.00 0.00 175.52 176.67 3cxl h THR 272 N 0.72 1.02 -0.18 3.16 2.02 -1.79 -2.25 112.91 115.62 3cxl h THR 272 Ca 0.23 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3cxl h THR 272 Cb 0.00 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3cxl h THR 272 CO -0.09 0.13 -0.06 0.25 0.37 0.00 0.00 175.52 176.13 3cxl h LEU 273 N 0.74 0.36 -0.66 2.58 5.85 -0.61 -1.85 115.31 121.72 3cxl h LEU 273 Ca 0.28 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 58.73 3cxl h LEU 273 Cb 0.11 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3cxl h LEU 273 CO -0.14 0.66 0.21 0.58 -0.34 0.00 0.00 178.44 179.41 3cxl h VAL 274 N 0.06 0.68 -0.15 1.05 2.07 -1.18 -2.28 116.25 116.51 3cxl h VAL 274 Ca 0.04 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 3cxl h VAL 274 Cb 0.51 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3cxl h VAL 274 CO 0.02 0.07 -0.55 0.11 0.02 0.00 0.00 177.57 177.24 3cxl h LYS 275 N 0.37 0.43 -0.58 1.57 1.57 -1.27 0.10 116.57 118.76 3cxl h LYS 275 Ca 0.35 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3cxl h LYS 275 Cb 0.49 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3cxl h LYS 275 CO -0.38 0.86 0.08 0.00 -0.57 0.00 0.00 179.45 179.45 3cxl h ALA 276 N 1.08 0.77 0.00 3.86 0.00 -1.01 -3.15 119.26 120.81 3cxl h ALA 276 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cxl h ALA 276 Cb 1.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3cxl h ALA 276 CO 0.10 0.53 -0.94 0.45 0.00 0.00 0.00 179.25 179.38 3cxl h HIS 277 N 0.86 0.00 -1.42 0.00 3.86 -1.41 -3.49 115.15 113.55 3cxl h HIS 277 Ca 0.17 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.10 3cxl h HIS 277 Cb 0.43 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 3cxl h HIS 277 CO 0.03 0.00 -0.32 -2.37 0.86 0.00 0.00 177.93 176.13 3cxl n THR 278 N -2.66 -0.37 -4.10 2.45 5.66 0.36 -5.03 114.28 110.58 3cxl n THR 278 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.73 3cxl n THR 278 Cb 0.54 -1.88 -0.06 0.00 -1.55 0.00 0.00 70.33 67.38 3cxl n THR 278 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3cxl s THR 279 N -2.63 4.31 0.14 1.09 -1.32 -1.18 -5.04 115.64 111.01 3cxl s THR 279 Ca 0.00 -1.06 -0.22 0.00 -1.21 0.00 0.00 61.69 59.20 3cxl s THR 279 Cb 0.00 -3.15 -0.00 0.00 -1.51 0.00 0.00 72.50 67.84 3cxl s THR 279 CO 0.00 -0.03 1.66 0.07 -2.21 0.00 0.00 174.62 174.11 3cxl h LYS 280 N 2.77 -0.19 -5.24 7.08 2.10 -1.96 -3.45 116.57 117.69 3cxl h LYS 280 Ca -0.47 0.01 -0.44 0.00 -2.00 0.00 0.00 60.65 57.75 3cxl h LYS 280 Cb 1.19 0.04 -0.14 0.00 -0.90 0.00 0.00 32.23 32.42 3cxl h LYS 280 CO 0.62 -0.13 -0.65 1.03 -2.00 0.00 0.00 179.45 178.33 3cxl s ARG 281 N -6.13 1.48 0.28 0.07 0.52 -1.26 -4.85 118.95 109.07 3cxl s ARG 281 Ca -0.14 -1.77 -0.30 0.00 -0.52 0.00 0.00 55.73 52.99 3cxl s ARG 281 Cb 0.11 -0.83 -0.11 0.00 0.52 0.00 0.00 34.95 34.64 3cxl s ARG 281 CO 0.68 -0.09 1.62 -2.14 0.02 0.00 0.00 175.30 175.39 3cxl s PRO 282 N -3.84 4.12 0.52 3.54 0.02 -1.26 -4.89 135.00 133.21 3cxl s PRO 282 Ca 0.31 2.59 0.28 0.00 0.02 0.00 0.00 61.00 64.20 3cxl s PRO 282 Cb 0.06 -3.03 1.41 0.00 0.02 0.00 0.00 34.50 32.96 3cxl s PRO 282 CO 0.12 -0.66 1.93 0.00 -0.33 0.00 0.00 177.00 178.05 3cxl h MET 283 N 5.11 0.05 -0.42 5.54 -0.00 -1.98 0.82 114.93 124.04 3cxl h MET 283 Ca -0.46 -0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.13 3cxl h MET 283 Cb 1.22 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.79 3cxl h MET 283 CO 0.82 0.03 -0.16 0.28 -0.00 0.00 0.00 176.91 177.88 3cxl h VAL 284 N 0.05 1.26 -0.11 -0.10 2.07 -1.96 -2.08 116.25 115.39 3cxl h VAL 284 Ca 0.37 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3cxl h VAL 284 Cb 1.39 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3cxl h VAL 284 CO -0.02 0.42 -0.11 0.58 0.02 0.00 0.00 177.57 178.46 3cxl h VAL 285 N 0.71 1.36 -0.24 2.57 2.07 -1.23 -2.27 116.25 119.22 3cxl h VAL 285 Ca 0.11 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3cxl h VAL 285 Cb 0.66 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3cxl h VAL 285 CO 0.05 0.36 0.08 0.44 0.02 0.00 0.00 177.57 178.52 3cxl h ASP 286 N -0.14 0.34 -0.13 0.57 3.32 -1.37 -2.19 116.42 116.81 3cxl h ASP 286 Ca 0.02 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3cxl h ASP 286 Cb 0.63 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3cxl h ASP 286 CO 0.03 0.43 -0.05 0.24 -1.72 0.00 0.00 179.24 178.17 3cxl h MET 287 N 0.22 0.27 -0.08 3.56 2.86 -1.41 0.70 114.93 121.04 3cxl h MET 287 Ca 0.08 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3cxl h MET 287 Cb 0.21 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 3cxl h MET 287 CO -0.00 0.59 0.05 0.00 1.06 0.00 0.00 176.91 178.60 3cxl h ILE 289 N 0.06 0.81 -0.45 0.00 1.08 -1.36 0.31 117.51 117.96 3cxl h ILE 289 Ca 0.03 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3cxl h ILE 289 Cb 0.06 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3cxl h ILE 289 CO -0.01 0.02 0.28 -0.09 -0.69 0.00 0.00 178.15 177.67 3cxl h ARG 290 N 0.11 0.56 -0.09 2.37 2.43 -0.65 -1.84 114.38 117.27 3cxl h ARG 290 Ca 0.14 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3cxl h ARG 290 Cb 0.17 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3cxl h ARG 290 CO -0.22 0.37 0.06 1.49 -1.51 0.00 0.00 179.97 180.16 3cxl h GLU 291 N 0.57 0.12 0.47 0.20 4.57 -0.04 -0.86 114.58 119.61 3cxl h GLU 291 Ca 0.17 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3cxl h GLU 291 Cb -0.03 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3cxl h GLU 291 CO -0.06 0.09 -0.41 0.82 -1.18 0.00 0.00 179.01 178.27 3cxl h ILE 292 N 0.11 0.18 0.00 2.32 1.08 -0.13 -2.51 117.51 118.55 3cxl h ILE 292 Ca 0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 3cxl h ILE 292 Cb 0.00 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 33.92 3cxl h ILE 292 CO -0.01 0.00 -0.13 -0.33 -0.69 0.00 0.00 178.15 176.99 3cxl h GLU 293 N -0.87 0.00 0.94 2.37 5.08 -1.36 -2.31 114.58 118.42 3cxl h GLU 293 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3cxl h GLU 293 Cb 0.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3cxl h GLU 293 CO -0.03 0.13 -0.47 1.03 -1.00 0.00 0.00 179.01 178.68 3cxl h SER 294 N 0.00 -1.11 1.35 1.42 0.87 -0.73 -3.21 113.55 112.14 3cxl h SER 294 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3cxl h SER 294 Cb 0.24 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3cxl h SER 294 CO 0.02 -0.78 0.00 -2.11 -0.53 0.00 0.00 176.83 173.43 3cxl n ARG 295 N -5.48 0.23 0.00 2.24 1.85 -1.03 -4.96 116.66 109.50 3cxl n ARG 295 Ca -0.16 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3cxl n ARG 295 Cb 0.51 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 3cxl n ARG 295 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cxl n GLY 296 N 1.21 4.30 1.61 2.89 0.00 -0.87 -4.92 105.19 109.40 3cxl n GLY 296 Ca 0.05 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.87 3cxl n GLY 296 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cxl n LEU 297 N 0.00 4.85 -0.11 0.99 4.77 -1.26 -4.26 117.00 121.98 3cxl n LEU 297 Ca 0.00 -2.49 0.12 0.00 -0.03 0.00 0.00 56.01 53.61 3cxl n LEU 297 Cb 0.00 -0.59 0.30 0.00 -2.33 0.00 0.00 43.42 40.81 3cxl n LEU 297 CO 0.00 0.80 0.54 0.59 -1.33 0.00 0.00 177.39 177.99 3cxl n ASN 298 N 1.08 0.74 -4.72 -1.43 3.02 -1.26 -4.59 115.26 108.09 3cxl n ASN 298 Ca 0.26 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 3cxl n ASN 298 Cb 0.92 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 40.27 3cxl n ASN 298 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3cxl s SER 299 N -2.78 6.75 0.24 6.41 0.15 -1.26 -3.41 113.70 119.81 3cxl s SER 299 Ca 0.17 2.46 -0.30 0.00 0.70 0.00 0.00 55.95 58.99 3cxl s SER 299 Cb 0.18 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.80 3cxl s SER 299 CO 0.62 -0.68 1.27 -0.70 1.20 0.00 0.00 173.24 174.95 3cxl s GLU 300 N 0.70 4.42 -1.00 5.44 2.12 -1.26 -2.97 118.70 126.16 3cxl s GLU 300 Ca 0.64 2.05 -0.01 0.00 0.36 0.00 0.00 54.97 58.02 3cxl s GLU 300 Cb -0.39 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3cxl s GLU 300 CO 0.34 -0.16 0.07 0.41 -0.54 0.00 0.00 175.26 175.38 3cxl n GLY 301 N 1.77 -0.10 3.68 -1.50 0.00 -1.06 -4.86 105.19 103.12 3cxl n GLY 301 Ca 0.03 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3cxl n GLY 301 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cxl s LEU 302 N -3.56 4.40 0.00 0.99 2.96 -1.16 0.37 118.68 122.69 3cxl s LEU 302 Ca 0.04 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 3cxl s LEU 302 Cb -0.02 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3cxl s LEU 302 CO 0.04 -1.01 0.00 -1.22 -1.32 0.00 0.00 176.35 172.85 3cxl n TYR 303 N 6.19 0.00 -0.10 5.38 4.01 -1.26 -4.71 117.16 126.67 3cxl n TYR 303 Ca 0.18 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.78 3cxl n TYR 303 Cb 0.39 -0.03 -0.14 0.00 -0.31 0.00 0.00 39.34 39.25 3cxl n TYR 303 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3cxl n ARG 304 N -1.98 0.67 -2.88 -0.72 0.63 -0.84 -4.91 116.66 106.63 3cxl n ARG 304 Ca 0.00 0.09 -0.37 0.00 -0.92 0.00 0.00 57.85 56.66 3cxl n ARG 304 Cb 0.00 -1.55 -0.06 0.00 0.45 0.00 0.00 32.46 31.29 3cxl n ARG 304 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3cxl s VAL 305 N -2.51 4.32 -0.02 5.15 1.01 0.16 -5.07 120.40 123.43 3cxl s VAL 305 Ca -0.20 1.67 0.07 0.00 0.00 0.00 0.00 61.98 63.52 3cxl s VAL 305 Cb 0.07 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3cxl s VAL 305 CO 0.73 0.17 -0.24 -0.94 0.00 0.00 0.00 175.10 174.83 3cxl s SER 306 N -1.61 2.81 0.98 3.32 1.04 -1.26 -4.85 113.70 114.12 3cxl s SER 306 Ca 0.48 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 3cxl s SER 306 Cb -0.18 -0.32 0.06 0.00 0.10 0.00 0.00 66.02 65.67 3cxl s SER 306 CO 0.23 0.29 0.34 0.61 0.98 0.00 0.00 173.24 175.69 3cxl n GLY 307 N 2.50 -1.13 3.69 7.32 0.00 -1.17 -4.94 105.19 111.45 3cxl n GLY 307 Ca -0.16 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3cxl n GLY 307 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cxl s PHE 308 N -1.69 2.39 0.18 1.61 0.08 -1.26 -4.91 117.98 114.38 3cxl s PHE 308 Ca 0.19 0.27 -0.21 0.00 0.12 0.00 0.00 56.93 57.29 3cxl s PHE 308 Cb -0.01 -4.00 0.11 0.00 -0.57 0.00 0.00 43.02 38.55 3cxl s PHE 308 CO 0.13 -4.04 1.58 0.77 -0.10 0.00 0.00 175.22 173.57 3cxl h SER 309 N 8.33 -1.21 -0.71 1.36 0.02 -2.00 -1.75 113.55 117.60 3cxl h SER 309 Ca -0.43 0.23 0.15 0.00 -0.84 0.00 0.00 61.79 60.90 3cxl h SER 309 Cb 1.20 0.59 -0.13 0.00 0.14 0.00 0.00 62.40 64.21 3cxl h SER 309 CO 0.93 -0.31 -0.09 -0.78 -1.14 0.00 0.00 176.83 175.44 3cxl h ASP 310 N -0.17 -0.50 0.89 3.07 3.58 -2.00 -1.73 116.42 119.57 3cxl h ASP 310 Ca 0.22 0.20 -0.16 0.00 0.42 0.00 0.00 57.03 57.72 3cxl h ASP 310 Cb 0.55 0.38 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 3cxl h ASP 310 CO -0.68 -0.20 -0.75 -0.07 -2.88 0.00 0.00 179.24 174.66 3cxl h LEU 311 N 0.05 0.00 -0.70 2.28 3.38 -1.79 -2.33 115.31 116.19 3cxl h LEU 311 Ca 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 3cxl h LEU 311 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3cxl h LEU 311 CO -0.68 0.75 0.30 0.40 0.09 0.00 0.00 178.44 179.30 3cxl h ILE 312 N 0.00 1.24 -0.26 1.22 2.04 -0.66 -1.14 117.51 119.95 3cxl h ILE 312 Ca -0.01 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3cxl h ILE 312 Cb 1.40 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3cxl h ILE 312 CO 0.10 0.30 -0.24 -0.33 0.00 0.00 0.00 178.15 177.98 3cxl h GLU 313 N 0.99 0.50 -0.50 2.37 4.39 -1.24 -1.33 114.58 119.76 3cxl h GLU 313 Ca 0.24 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3cxl h GLU 313 Cb 0.18 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3cxl h GLU 313 CO -0.02 0.71 0.09 -0.44 -1.16 0.00 0.00 179.01 178.18 3cxl h ASP 314 N 0.44 0.73 -0.38 1.42 5.19 -1.04 0.37 116.42 123.16 3cxl h ASP 314 Ca 0.07 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 3cxl h ASP 314 Cb 0.66 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 3cxl h ASP 314 CO 0.05 0.74 0.12 0.58 -3.12 0.00 0.00 179.24 177.60 3cxl h VAL 315 N 0.74 1.21 -0.42 -1.35 2.07 -0.82 0.55 116.25 118.24 3cxl h VAL 315 Ca 0.16 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3cxl h VAL 315 Cb 0.32 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3cxl h VAL 315 CO 0.00 0.24 0.23 0.50 0.02 0.00 0.00 177.57 178.57 3cxl h LYS 316 N 0.46 0.46 -0.69 1.57 3.64 -0.84 -0.31 116.57 120.85 3cxl h LYS 316 Ca 0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3cxl h LYS 316 Cb 0.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3cxl h LYS 316 CO -0.00 0.30 0.36 1.98 -2.27 0.00 0.00 179.45 179.82 3cxl h MET 317 N 0.47 0.97 -0.62 1.90 4.05 -0.05 -1.58 114.93 120.07 3cxl h MET 317 Ca 0.17 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 3cxl h MET 317 Cb 0.03 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.60 3cxl h MET 317 CO -0.09 0.73 0.36 0.00 0.23 0.00 0.00 176.91 178.13 3cxl h ALA 318 N 1.43 0.82 -0.58 0.39 0.00 0.11 -1.76 119.26 119.66 3cxl h ALA 318 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3cxl h ALA 318 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3cxl h ALA 318 CO -0.04 0.06 -0.05 0.74 0.00 0.00 0.00 179.25 179.97 3cxl h PHE 319 N 0.69 1.17 0.00 0.00 0.04 -0.50 -1.59 116.94 116.74 3cxl h PHE 319 Ca 0.26 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 3cxl h PHE 319 Cb 0.10 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3cxl h PHE 319 CO -0.07 1.05 -0.28 -0.44 -0.60 0.00 0.00 178.31 177.97 3cxl h ASP 320 N 0.96 0.00 0.05 2.17 3.32 -0.96 -1.99 116.42 119.97 3cxl h ASP 320 Ca 0.16 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.86 3cxl h ASP 320 Cb 0.62 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 3cxl h ASP 320 CO 0.04 0.28 -1.98 0.54 -1.72 0.00 0.00 179.24 176.40 3cxl n ARG 321 N -3.44 0.66 -0.05 3.56 3.00 -0.69 -4.12 116.66 115.58 3cxl n ARG 321 Ca 0.00 0.33 -0.02 0.00 -0.01 0.00 0.00 57.85 58.15 3cxl n ARG 321 Cb 0.47 -1.65 -0.13 0.00 0.00 0.00 0.00 32.46 31.15 3cxl n ARG 321 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3cxl n ASP 322 N -3.81 1.03 0.00 0.55 8.00 -0.60 -4.88 116.55 116.83 3cxl n ASP 322 Ca -0.38 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3cxl n ASP 322 Cb 0.91 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 43.22 3cxl n ASP 322 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cxl n GLY 323 N 1.84 3.28 0.32 0.44 0.00 -0.75 -2.61 105.19 107.71 3cxl n GLY 323 Ca -0.18 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 45.89 3cxl n GLY 323 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cxl h GLU 324 N 0.00 0.00 -0.58 1.61 4.22 -1.95 -1.46 114.58 116.42 3cxl h GLU 324 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3cxl h GLU 324 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cxl h GLU 324 CO 0.00 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.46 3cxl n LYS 325 N -3.45 2.38 -1.90 1.92 5.02 -1.07 -4.95 118.16 116.10 3cxl n LYS 325 Ca -0.03 -2.14 -0.41 0.00 -2.02 0.00 0.00 58.31 53.71 3cxl n LYS 325 Cb 0.10 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3cxl n LYS 325 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cxl s ALA 326 N -1.23 3.59 -0.50 7.82 0.00 -0.55 -4.97 121.76 125.92 3cxl s ALA 326 Ca 0.40 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.68 3cxl s ALA 326 Cb 0.21 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.85 3cxl s ALA 326 CO 0.28 -0.91 0.43 0.34 0.00 0.00 0.00 175.76 175.90 3cxl s ASP 327 N -0.05 6.13 -0.28 0.00 -1.08 -1.26 -4.89 116.67 115.24 3cxl s ASP 327 Ca 0.54 -1.55 0.09 0.00 -0.52 0.00 0.00 52.55 51.11 3cxl s ASP 327 Cb -0.45 -2.18 0.49 0.00 -1.46 0.00 0.00 42.92 39.33 3cxl s ASP 327 CO 0.56 -0.74 1.43 2.30 0.52 0.00 0.00 175.17 179.24 3cxl n ILE 328 N 5.20 2.50 -1.20 4.11 -5.35 -1.26 -4.82 119.36 118.54 3cxl n ILE 328 Ca -0.13 -2.82 -0.29 0.00 -0.27 0.00 0.00 62.75 59.24 3cxl n ILE 328 Cb 0.42 -0.31 0.15 0.00 -1.74 0.00 0.00 39.64 38.16 3cxl n ILE 328 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3cxl s SER 329 N -2.64 3.20 0.27 7.28 1.04 -1.26 -4.72 113.70 116.85 3cxl s SER 329 Ca 0.44 1.37 -0.02 0.00 0.48 0.00 0.00 55.95 58.22 3cxl s SER 329 Cb 0.40 -2.05 0.46 0.00 0.10 0.00 0.00 66.02 64.93 3cxl s SER 329 CO -0.01 -2.80 1.85 1.62 0.98 0.00 0.00 173.24 174.87 3cxl h VAL 330 N -1.66 0.98 -0.51 5.02 3.04 -1.95 -1.21 116.25 119.95 3cxl h VAL 330 Ca -0.51 -0.35 0.09 0.00 -1.01 0.00 0.00 66.70 64.92 3cxl h VAL 330 Cb 1.30 -0.12 -0.07 0.00 -2.01 0.00 0.00 31.29 30.39 3cxl h VAL 330 CO 0.56 0.18 0.09 -1.13 -1.01 0.00 0.00 177.57 176.26 3cxl h ASN 331 N 1.01 -0.04 0.14 3.17 -1.24 -1.96 -3.07 115.58 113.58 3cxl h ASN 331 Ca 0.45 0.10 -0.24 0.00 0.71 0.00 0.00 56.30 57.32 3cxl h ASN 331 Cb 0.34 0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.54 3cxl h ASN 331 CO -0.23 0.01 -1.14 -0.03 -1.29 0.00 0.00 177.43 174.75 3cxl h MET 332 N 0.22 0.29 -4.27 6.67 4.05 -1.69 -3.41 114.93 116.79 3cxl h MET 332 Ca 0.26 -0.50 -0.62 0.00 -0.28 0.00 0.00 59.70 58.55 3cxl h MET 332 Cb 0.36 0.19 -0.39 0.00 -0.80 0.00 0.00 31.60 30.95 3cxl h MET 332 CO -0.35 1.24 -0.75 0.71 0.23 0.00 0.00 176.91 177.99 3cxl s TYR 333 N -2.46 2.78 0.44 1.39 2.02 -0.54 -5.01 117.35 115.97 3cxl s TYR 333 Ca -0.16 -2.27 0.21 0.00 -0.37 0.00 0.00 57.07 54.48 3cxl s TYR 333 Cb 0.03 -2.17 1.24 0.00 -0.40 0.00 0.00 41.96 40.66 3cxl s TYR 333 CO 0.81 -0.88 2.04 0.93 -1.57 0.00 0.00 175.55 176.88 3cxl h GLU 334 N 7.85 0.00 -4.75 -0.62 5.08 -1.78 -3.39 114.58 116.97 3cxl h GLU 334 Ca -0.11 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.56 3cxl h GLU 334 Cb 1.03 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.09 3cxl h GLU 334 CO 0.47 0.15 -0.36 0.34 -1.00 0.00 0.00 179.01 178.61 3cxl s ASP 335 N -6.57 6.13 0.57 1.42 2.15 -1.26 -4.94 116.67 114.16 3cxl s ASP 335 Ca -0.03 -0.55 0.27 0.00 0.43 0.00 0.00 52.55 52.67 3cxl s ASP 335 Cb 0.14 -2.18 1.52 0.00 -0.30 0.00 0.00 42.92 42.11 3cxl s ASP 335 CO 0.64 -0.39 2.03 0.16 -0.17 0.00 0.00 175.17 177.44 3cxl h ILE 336 N 5.59 0.55 0.00 4.11 -0.00 -2.00 -0.19 117.51 125.57 3cxl h ILE 336 Ca -0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.56 3cxl h ILE 336 Cb 1.13 0.77 -0.00 0.00 -0.00 0.00 0.00 36.82 38.72 3cxl h ILE 336 CO 0.71 0.00 -0.04 0.78 -0.00 0.00 0.00 178.15 179.59 3cxl h ASN 337 N 0.00 0.00 -0.64 2.16 2.35 -1.92 -0.57 115.58 116.96 3cxl h ASN 337 Ca 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3cxl h ASN 337 Cb 0.78 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3cxl h ASN 337 CO -0.00 0.04 0.06 0.40 -1.65 0.00 0.00 177.43 176.28 3cxl h ILE 338 N 0.00 1.26 -0.04 2.81 2.04 -1.38 -2.04 117.51 120.17 3cxl h ILE 338 Ca -0.00 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 3cxl h ILE 338 Cb 0.13 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3cxl h ILE 338 CO 0.01 0.40 -0.46 0.40 0.00 0.00 0.00 178.15 178.49 3cxl h ILE 339 N 1.00 1.43 -0.70 -0.67 1.08 -1.26 -1.30 117.51 117.08 3cxl h ILE 339 Ca 0.19 -1.93 0.07 0.00 -0.39 0.00 0.00 64.86 62.79 3cxl h ILE 339 Cb 0.49 2.49 -0.04 0.00 -3.07 0.00 0.00 36.82 36.69 3cxl h ILE 339 CO 0.02 0.56 0.46 0.71 -0.69 0.00 0.00 178.15 179.21 3cxl h THR 340 N -0.14 1.01 -0.10 -0.27 1.35 -1.29 0.19 112.91 113.67 3cxl h THR 340 Ca -0.05 -0.24 -0.19 0.00 -0.55 0.00 0.00 66.41 65.38 3cxl h THR 340 Cb 1.16 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3cxl h THR 340 CO 0.09 0.13 -0.73 1.23 -0.25 0.00 0.00 175.52 175.99 3cxl h GLY 341 N 0.71 0.53 1.24 5.82 0.00 -1.23 -1.00 103.07 109.15 3cxl h GLY 341 Ca 0.30 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3cxl h GLY 341 CO -0.10 0.67 -0.31 0.00 0.00 0.00 0.00 176.54 176.80 3cxl h ALA 342 N 0.87 0.72 -0.27 3.60 0.00 -0.53 0.26 119.26 123.91 3cxl h ALA 342 Ca -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3cxl h ALA 342 Cb 1.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3cxl h ALA 342 CO 0.13 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.32 3cxl h LEU 343 N 0.71 0.44 -0.07 0.00 5.85 -0.94 -0.00 115.31 121.30 3cxl h LEU 343 Ca 0.08 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3cxl h LEU 343 Cb 0.87 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3cxl h LEU 343 CO 0.08 0.61 -0.04 0.11 -0.34 0.00 0.00 178.44 178.85 3cxl h LYS 344 N 0.26 -0.05 -0.37 1.25 1.57 -1.11 -2.90 116.57 115.23 3cxl h LYS 344 Ca 0.08 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3cxl h LYS 344 Cb 0.37 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3cxl h LYS 344 CO 0.01 -0.03 -0.00 1.25 -0.57 0.00 0.00 179.45 180.11 3cxl h LEU 345 N -0.05 -0.15 -0.61 2.94 5.85 -0.36 -2.51 115.31 120.42 3cxl h LEU 345 Ca 0.04 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3cxl h LEU 345 Cb 0.11 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 3cxl h LEU 345 CO -0.10 -0.04 -0.40 0.22 -0.34 0.00 0.00 178.44 177.78 3cxl h TYR 346 N 0.10 -1.15 -0.68 1.25 3.20 -0.79 0.23 116.97 119.12 3cxl h TYR 346 Ca 0.18 0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3cxl h TYR 346 Cb 0.25 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3cxl h TYR 346 CO -0.25 -0.41 0.45 0.74 -1.64 0.00 0.00 178.16 177.05 3cxl h PHE 347 N -0.19 0.76 0.00 -3.82 0.04 -1.38 -1.76 116.94 110.60 3cxl h PHE 347 Ca 0.21 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3cxl h PHE 347 Cb 0.56 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3cxl h PHE 347 CO -0.70 0.43 0.00 -2.13 -0.60 0.00 0.00 178.31 175.32 3cxl n ARG 348 N -4.47 0.18 0.00 1.51 0.63 0.68 -2.47 116.66 112.73 3cxl n ARG 348 Ca 0.09 0.29 0.11 0.00 -0.92 0.00 0.00 57.85 57.42 3cxl n ARG 348 Cb 0.16 -1.78 0.05 0.00 0.45 0.00 0.00 32.46 31.35 3cxl n ARG 348 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cxl n ASP 349 N -2.11 0.72 -4.68 6.15 8.00 -0.51 -4.48 116.55 119.65 3cxl n ASP 349 Ca 0.04 -0.56 -0.45 0.00 0.71 0.00 0.00 54.79 54.53 3cxl n ASP 349 Cb 0.31 0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 42.04 3cxl n ASP 349 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3cxl n LEU 350 N -1.58 3.62 0.02 0.64 4.77 -1.03 -3.76 117.00 119.68 3cxl n LEU 350 Ca 0.04 1.02 -0.10 0.00 -0.03 0.00 0.00 56.01 56.94 3cxl n LEU 350 Cb 0.35 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 3cxl n LEU 350 CO 0.39 -0.02 0.79 -0.65 -1.33 0.00 0.00 177.39 176.57 3cxl h PRO 351 N 7.84 -0.15 -5.13 3.23 0.11 -1.82 -3.37 132.00 132.71 3cxl h PRO 351 Ca -0.46 0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.04 3cxl h PRO 351 Cb 1.24 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.24 3cxl h PRO 351 CO 0.93 -0.10 -0.52 0.42 -0.21 0.00 0.00 178.00 178.53 3cxl s ILE 352 N -6.16 5.25 0.76 4.15 -1.09 -1.26 -4.91 121.20 117.94 3cxl s ILE 352 Ca -0.14 0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.31 3cxl s ILE 352 Cb 0.09 -3.43 0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3cxl s ILE 352 CO 0.67 0.37 1.09 -2.16 -1.23 0.00 0.00 174.94 173.68 3cxl s PRO 353 N 0.90 2.35 0.25 2.79 0.04 -1.26 -4.76 135.00 135.30 3cxl s PRO 353 Ca 0.07 1.13 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 3cxl s PRO 353 Cb -0.13 -1.91 0.47 0.00 0.04 0.00 0.00 34.50 32.97 3cxl s PRO 353 CO 0.03 -1.57 1.67 1.25 0.04 0.00 0.00 177.00 178.42 3cxl h LEU 354 N -1.07 -0.05 -8.49 -3.56 5.85 -1.86 -3.04 115.31 103.09 3cxl h LEU 354 Ca -0.44 0.16 -0.67 0.00 0.84 0.00 0.00 57.88 57.78 3cxl h LEU 354 Cb 1.23 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 42.32 3cxl h LEU 354 CO 0.52 -0.07 0.11 -0.63 -0.34 0.00 0.00 178.44 178.02 3cxl s ILE 355 N -6.05 4.83 0.87 4.05 1.01 -0.88 -4.79 121.20 120.23 3cxl s ILE 355 Ca -0.13 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 3cxl s ILE 355 Cb 0.22 -4.26 0.12 0.00 0.01 0.00 0.00 42.46 38.54 3cxl s ILE 355 CO 0.76 -0.72 1.15 0.42 0.00 0.00 0.00 174.94 176.55 3cxl s THR 356 N 2.79 2.26 0.34 2.92 -4.23 -1.15 -4.59 115.64 113.98 3cxl s THR 356 Ca 0.19 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.81 3cxl s THR 356 Cb -0.16 -2.26 0.23 0.00 1.34 0.00 0.00 72.50 71.64 3cxl s THR 356 CO 0.16 -0.10 1.96 1.88 -0.54 0.00 0.00 174.62 177.97 3cxl h TYR 357 N -1.53 0.75 0.00 3.99 0.05 -1.86 -1.61 116.97 116.76 3cxl h TYR 357 Ca -0.44 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.33 3cxl h TYR 357 Cb 1.27 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 3cxl h TYR 357 CO 0.51 0.54 -0.01 -0.44 -1.05 0.00 0.00 178.16 177.71 3cxl h ASP 358 N 0.77 0.00 0.35 3.88 3.45 -1.96 -3.12 116.42 119.80 3cxl h ASP 358 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3cxl h ASP 358 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3cxl h ASP 358 CO -0.03 0.01 -1.32 0.00 -1.57 0.00 0.00 179.24 176.33 3cxl n ALA 359 N -2.10 3.20 -0.06 3.45 0.00 -0.69 -4.69 120.51 119.64 3cxl n ALA 359 Ca 0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 3cxl n ALA 359 Cb 0.32 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3cxl n ALA 359 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3cxl h TYR 360 N 0.00 -0.44 -0.22 0.00 3.20 -1.28 -2.67 116.97 115.57 3cxl h TYR 360 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.95 3cxl h TYR 360 Cb 0.84 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 3cxl h TYR 360 CO 0.00 -0.25 -0.06 -1.35 -1.64 0.00 0.00 178.16 174.87 3cxl h PRO 361 N -0.15 -0.00 -0.55 1.82 0.11 -1.83 -1.56 132.00 129.83 3cxl h PRO 361 Ca 0.14 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.31 3cxl h PRO 361 Cb 0.37 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 3cxl h PRO 361 CO -0.36 -0.00 0.28 0.87 -0.21 0.00 0.00 178.00 178.58 3cxl h LYS 362 N -0.00 0.51 -0.47 1.05 6.56 -1.83 0.31 116.57 122.70 3cxl h LYS 362 Ca 0.10 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.69 3cxl h LYS 362 Cb 0.16 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 3cxl h LYS 362 CO -0.22 0.34 0.28 0.74 -2.06 0.00 0.00 179.45 178.52 3cxl h PHE 363 N 0.52 0.52 -0.21 -1.35 0.04 -1.18 -1.89 116.94 113.40 3cxl h PHE 363 Ca 0.25 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.96 3cxl h PHE 363 Cb 0.18 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3cxl h PHE 363 CO -0.11 0.30 -0.19 0.82 -0.60 0.00 0.00 178.31 178.53 3cxl h ILE 364 N 0.55 1.23 -0.54 -0.55 5.03 -0.28 -2.59 117.51 120.37 3cxl h ILE 364 Ca 0.19 -1.08 -0.01 0.00 -0.12 0.00 0.00 64.86 63.85 3cxl h ILE 364 Cb 0.02 1.29 -0.03 0.00 -3.03 0.00 0.00 36.82 35.07 3cxl h ILE 364 CO -0.09 0.34 0.31 -0.33 -0.68 0.00 0.00 178.15 177.71 3cxl h GLU 365 N 0.34 0.74 -0.95 2.37 5.08 -0.07 -2.90 114.58 119.19 3cxl h GLU 365 Ca 0.06 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3cxl h GLU 365 Cb 0.54 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3cxl h GLU 365 CO 0.04 0.55 0.63 0.66 -1.00 0.00 0.00 179.01 179.89 3cxl h SER 366 N 0.73 1.10 1.02 1.42 4.64 -0.96 -2.06 113.55 119.43 3cxl h SER 366 Ca 0.19 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3cxl h SER 366 Cb 0.01 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3cxl h SER 366 CO -0.03 0.80 0.00 0.00 -0.87 0.00 0.00 176.83 176.72 3cxl n ALA 367 N -2.39 1.93 0.09 5.18 0.00 -1.12 -2.37 120.51 121.82 3cxl n ALA 367 Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.59 3cxl n ALA 367 Cb 0.02 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 3cxl n ALA 367 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cxl h LYS 368 N 0.00 0.00 -6.84 0.00 1.57 -1.18 -3.48 116.57 106.64 3cxl h LYS 368 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3cxl h LYS 368 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.84 3cxl h LYS 368 CO 0.00 0.44 0.49 0.42 -0.57 0.00 0.00 179.45 180.23 3cxl s ILE 369 N -2.93 3.39 -0.09 1.86 1.01 -1.00 -4.97 121.20 118.47 3cxl s ILE 369 Ca 0.01 1.36 -0.20 0.00 0.00 0.00 0.00 60.65 61.81 3cxl s ILE 369 Cb 0.08 -3.85 -0.28 0.00 0.01 0.00 0.00 42.46 38.42 3cxl s ILE 369 CO 0.78 0.29 0.72 0.24 0.00 0.00 0.00 174.94 176.97 3cxl h MET 370 N 3.58 0.23 -6.22 2.79 2.86 -1.91 -3.46 114.93 112.79 3cxl h MET 370 Ca -0.47 -0.39 -0.57 0.00 -2.06 0.00 0.00 59.70 56.21 3cxl h MET 370 Cb 1.21 0.14 0.01 0.00 0.06 0.00 0.00 31.60 33.03 3cxl h MET 370 CO 0.66 1.19 1.30 -3.47 1.06 0.00 0.00 176.91 177.64 3cxl n ASP 371 N -4.13 3.72 0.12 1.22 2.03 -1.26 -4.88 116.55 113.36 3cxl n ASP 371 Ca -0.19 0.69 0.13 0.00 0.52 0.00 0.00 54.79 55.95 3cxl n ASP 371 Cb 0.80 -1.50 0.64 0.00 -0.72 0.00 0.00 41.12 40.35 3cxl n ASP 371 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3cxl h PRO 372 N 11.73 0.05 0.25 -0.67 0.11 -1.99 -0.98 132.00 140.50 3cxl h PRO 372 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3cxl h PRO 372 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3cxl h PRO 372 CO 0.95 0.03 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.21 3cxl h ASP 373 N 0.05 -0.29 -0.36 -2.05 3.32 -1.98 -2.22 116.42 112.89 3cxl h ASP 373 Ca 0.13 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 3cxl h ASP 373 Cb 0.47 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3cxl h ASP 373 CO -0.01 0.21 0.06 -0.33 -1.72 0.00 0.00 179.24 177.46 3cxl h GLU 374 N -0.97 0.69 -0.05 3.56 4.39 -1.96 0.35 114.58 120.59 3cxl h GLU 374 Ca -0.03 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.56 3cxl h GLU 374 Cb 0.47 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 3cxl h GLU 374 CO 0.06 0.66 -0.28 0.37 -1.16 0.00 0.00 179.01 178.66 3cxl h GLN 375 N 0.66 -0.38 0.00 2.33 4.15 -1.27 1.03 115.11 121.63 3cxl h GLN 375 Ca 0.14 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 3cxl h GLN 375 Cb 0.32 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3cxl h GLN 375 CO 0.00 -0.25 -0.23 -0.07 -1.93 0.00 0.00 178.83 176.35 3cxl h LEU 376 N -0.39 0.00 -0.02 -2.39 3.38 -0.73 0.22 115.31 115.38 3cxl h LEU 376 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3cxl h LEU 376 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3cxl h LEU 376 CO -0.27 0.23 -0.11 -0.08 0.09 0.00 0.00 178.44 178.29 3cxl h GLU 377 N 0.00 0.12 -0.86 1.13 4.81 0.45 -2.16 114.58 118.07 3cxl h GLU 377 Ca -0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3cxl h GLU 377 Cb 0.42 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3cxl h GLU 377 CO 0.03 0.75 0.43 1.15 -0.73 0.00 0.00 179.01 180.64 3cxl h THR 378 N -0.49 1.26 -0.50 0.32 2.02 0.13 -1.62 112.91 114.03 3cxl h THR 378 Ca -0.01 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 3cxl h THR 378 Cb 0.78 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3cxl h THR 378 CO 0.02 0.31 0.11 0.25 0.37 0.00 0.00 175.52 176.58 3cxl h LEU 379 N 1.22 0.77 -0.87 2.58 5.85 -0.62 -1.39 115.31 122.84 3cxl h LEU 379 Ca 0.30 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3cxl h LEU 379 Cb 0.09 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3cxl h LEU 379 CO -0.04 0.81 0.54 -0.74 -0.34 0.00 0.00 178.44 178.68 3cxl h HIS 380 N 0.70 1.01 0.00 1.25 2.76 -1.15 -1.88 115.15 117.83 3cxl h HIS 380 Ca 0.16 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 3cxl h HIS 380 Cb 0.35 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3cxl h HIS 380 CO 0.02 0.52 -0.21 0.93 -1.30 0.00 0.00 177.93 177.89 3cxl h GLU 381 N 1.00 0.00 -0.32 5.26 4.39 -0.71 -2.48 114.58 121.72 3cxl h GLU 381 Ca 0.38 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.93 3cxl h GLU 381 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3cxl h GLU 381 CO -0.17 0.21 -0.37 0.00 -1.16 0.00 0.00 179.01 177.52 3cxl h ALA 382 N 1.79 0.73 0.00 3.43 0.00 -0.46 -3.04 119.26 121.72 3cxl h ALA 382 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3cxl h ALA 382 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cxl h ALA 382 CO 0.03 0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 179.80 3cxl h LEU 383 N 0.62 0.00 -0.73 0.00 3.38 -1.07 -1.24 115.31 116.26 3cxl h LEU 383 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3cxl h LEU 383 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3cxl h LEU 383 CO 0.08 0.07 -0.56 0.11 0.09 0.00 0.00 178.44 178.24 3cxl h LYS 384 N 0.00 0.22 0.00 1.13 1.57 -1.52 -3.04 116.57 114.93 3cxl h LYS 384 Ca -0.00 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3cxl h LYS 384 Cb 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3cxl h LYS 384 CO 0.01 0.72 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.52 3cxl h LEU 385 N 0.17 0.00-10.16 2.94 3.38 -1.24 -3.44 115.31 106.96 3cxl h LEU 385 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3cxl h LEU 385 Cb 1.03 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.84 3cxl h LEU 385 CO 0.09 0.01 0.38 -0.76 0.09 0.00 0.00 178.44 178.25 3cxl s LEU 386 N -6.31 3.59 0.70 1.67 1.43 -1.15 -4.77 118.68 113.84 3cxl s LEU 386 Ca -0.02 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 3cxl s LEU 386 Cb 0.11 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.81 3cxl s LEU 386 CO 0.48 -1.07 1.08 -2.84 0.23 0.00 0.00 176.35 174.23 3cxl s PRO 387 N -3.86 2.74 0.42 1.29 0.02 -1.26 -4.88 135.00 129.47 3cxl s PRO 387 Ca 0.65 1.13 0.15 0.00 0.02 0.00 0.00 61.00 62.94 3cxl s PRO 387 Cb -0.16 -1.96 1.03 0.00 0.02 0.00 0.00 34.50 33.43 3cxl s PRO 387 CO 0.33 -1.27 1.94 -1.35 -0.33 0.00 0.00 177.00 176.32 3cxl h PRO 388 N -0.59 0.42 0.04 5.54 0.11 -1.97 -1.38 132.00 134.18 3cxl h PRO 388 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3cxl h PRO 388 Cb 1.22 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3cxl h PRO 388 CO 0.55 0.28 -0.55 0.00 -0.21 0.00 0.00 178.00 178.06 3cxl h ALA 389 N 1.66 0.01 -0.77 -0.75 0.00 -1.93 -2.48 119.26 114.99 3cxl h ALA 389 Ca 0.34 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3cxl h ALA 389 Cb 0.73 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3cxl h ALA 389 CO -0.11 0.28 0.44 0.45 0.00 0.00 0.00 179.25 180.32 3cxl h HIS 390 N -0.33 1.03 -0.04 0.00 3.86 -1.83 -1.90 115.15 115.94 3cxl h HIS 390 Ca -0.08 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3cxl h HIS 390 Cb 1.33 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 3cxl h HIS 390 CO 0.18 0.70 -0.03 0.00 0.86 0.00 0.00 177.93 179.64 3cxl h GLU 392 N -0.32 0.00 -0.15 0.00 4.57 -1.44 0.50 114.58 117.73 3cxl h GLU 392 Ca 0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3cxl h GLU 392 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3cxl h GLU 392 CO 0.01 0.36 0.00 1.15 -1.18 0.00 0.00 179.01 179.35 3cxl h THR 393 N 0.00 1.25 -0.09 0.32 2.02 -1.25 -2.67 112.91 112.50 3cxl h THR 393 Ca -0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3cxl h THR 393 Cb 0.86 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 3cxl h THR 393 CO 0.05 0.25 0.05 0.25 0.37 0.00 0.00 175.52 176.48 3cxl h LEU 394 N 0.02 0.08 -0.38 2.58 5.85 -0.75 -2.08 115.31 120.63 3cxl h LEU 394 Ca 0.04 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3cxl h LEU 394 Cb 0.37 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 3cxl h LEU 394 CO 0.01 0.06 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.87 3cxl h ARG 395 N 0.11 -0.14 -0.52 1.25 2.43 -0.91 -0.29 114.38 116.31 3cxl h ARG 395 Ca 0.04 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3cxl h ARG 395 Cb -0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3cxl h ARG 395 CO -0.02 -0.09 0.33 -0.92 -1.51 0.00 0.00 179.97 177.76 3cxl h TYR 396 N -0.14 0.63 0.04 2.20 3.20 -1.38 -1.46 116.97 120.06 3cxl h TYR 396 Ca 0.19 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3cxl h TYR 396 Cb 0.43 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3cxl h TYR 396 CO -0.43 0.38 -0.02 1.25 -1.64 0.00 0.00 178.16 177.70 3cxl h LEU 397 N 0.67 -0.05 -1.30 2.82 5.85 -0.61 -1.09 115.31 121.60 3cxl h LEU 397 Ca 0.20 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3cxl h LEU 397 Cb -0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3cxl h LEU 397 CO -0.06 -0.01 0.07 0.24 -0.34 0.00 0.00 178.44 178.34 3cxl h MET 398 N -0.08 0.54 -0.56 1.25 2.86 -0.94 0.88 114.93 118.88 3cxl h MET 398 Ca -0.01 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 3cxl h MET 398 Cb 0.07 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3cxl h MET 398 CO 0.01 0.52 0.01 0.00 1.06 0.00 0.00 176.91 178.50 3cxl h ALA 399 N 1.55 0.94 -0.12 6.32 0.00 -0.98 0.14 119.26 127.12 3cxl h ALA 399 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3cxl h ALA 399 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3cxl h ALA 399 CO -0.00 0.64 0.02 1.25 0.00 0.00 0.00 179.25 181.16 3cxl h HIS 400 N 0.89 0.21 0.00 0.00 6.17 -0.48 -2.63 115.15 119.31 3cxl h HIS 400 Ca 0.16 -0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.19 3cxl h HIS 400 Cb 0.51 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.38 3cxl h HIS 400 CO 0.03 0.39 -0.13 -0.07 0.71 0.00 0.00 177.93 178.86 3cxl h LEU 401 N -0.03 0.00 -0.21 0.26 3.38 -0.74 -1.71 115.31 116.26 3cxl h LEU 401 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3cxl h LEU 401 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3cxl h LEU 401 CO 0.00 0.13 0.01 0.50 0.09 0.00 0.00 178.44 179.17 3cxl h LYS 402 N 0.00 0.36 -0.77 1.13 1.63 -0.83 -2.54 116.57 115.55 3cxl h LYS 402 Ca -0.00 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3cxl h LYS 402 Cb 0.25 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 3cxl h LYS 402 CO 0.02 0.54 0.51 -0.09 -3.45 0.00 0.00 179.45 176.98 3cxl h ARG 403 N 0.14 1.00 -0.27 1.90 2.43 -1.05 -2.50 114.38 116.04 3cxl h ARG 403 Ca 0.06 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3cxl h ARG 403 Cb 0.37 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3cxl h ARG 403 CO 0.01 0.66 -0.30 -0.39 -1.51 0.00 0.00 179.97 178.44 3cxl h VAL 404 N 1.03 1.28 0.00 0.20 -1.51 -1.21 -2.85 116.25 113.20 3cxl h VAL 404 Ca 0.28 -1.39 -0.08 0.00 -1.23 0.00 0.00 66.70 64.28 3cxl h VAL 404 Cb -0.11 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 3cxl h VAL 404 CO -0.06 0.44 -0.38 0.71 -1.23 0.00 0.00 177.57 177.06 3cxl h THR 405 N 0.48 1.17 -0.08 7.19 1.35 -1.03 -2.50 112.91 119.49 3cxl h THR 405 Ca 0.06 -1.33 0.02 0.00 -0.55 0.00 0.00 66.41 64.62 3cxl h THR 405 Cb 0.77 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3cxl h THR 405 CO 0.06 0.37 0.07 -0.07 -0.25 0.00 0.00 175.52 175.70 3cxl h LEU 406 N 0.00 0.00 -3.67 3.87 3.38 -1.23 -1.41 115.31 116.25 3cxl h LEU 406 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3cxl h LEU 406 Cb 0.71 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.21 3cxl h LEU 406 CO 0.05 0.00 0.59 1.41 0.09 0.00 0.00 178.44 180.58 3cxl n HIS 407 N -4.22 2.51 -0.07 1.13 8.25 -0.94 -4.64 115.22 117.24 3cxl n HIS 407 Ca -0.01 -1.92 0.12 0.00 -0.26 0.00 0.00 57.72 55.65 3cxl n HIS 407 Cb 0.18 -0.96 0.51 0.00 1.12 0.00 0.00 29.99 30.84 3cxl n HIS 407 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3cxl h GLU 408 N 1.12 0.37 0.00 -0.41 4.81 -1.38 -1.93 114.58 117.17 3cxl h GLU 408 Ca 0.51 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 3cxl h GLU 408 Cb 1.97 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.27 3cxl h GLU 408 CO 1.02 0.25 -0.06 0.87 -0.73 0.00 0.00 179.01 180.35 3cxl h LYS 409 N 0.39 0.00 0.00 1.92 1.79 -1.86 0.36 116.57 119.16 3cxl h LYS 409 Ca 0.27 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.36 3cxl h LYS 409 Cb 0.55 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 3cxl h LYS 409 CO -0.07 0.06 -2.25 0.39 -1.08 0.00 0.00 179.45 176.50 3cxl n GLU 410 N -4.28 0.47 0.00 3.15 -0.58 -1.03 -4.66 120.64 113.71 3cxl n GLU 410 Ca -0.03 0.21 0.14 0.00 -0.42 0.00 0.00 57.16 57.06 3cxl n GLU 410 Cb 0.14 -1.30 0.55 0.00 -0.57 0.00 0.00 31.44 30.26 3cxl n GLU 410 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3cxl n ASN 411 N -4.00 0.11 -1.95 1.62 0.23 -0.76 -4.42 115.26 106.09 3cxl n ASN 411 Ca -0.44 0.33 -0.16 0.00 -0.53 0.00 0.00 54.58 53.78 3cxl n ASN 411 Cb 0.81 -0.34 -0.04 0.00 -2.08 0.00 0.00 39.78 38.14 3cxl n ASN 411 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cxl n LEU 412 N -1.49 -1.33 -4.11 -4.53 -0.00 0.13 -2.56 117.00 103.10 3cxl n LEU 412 Ca 0.07 0.25 -0.37 0.00 -0.00 0.00 0.00 56.01 55.96 3cxl n LEU 412 Cb 0.34 -2.40 -0.09 0.00 -0.00 0.00 0.00 43.42 41.27 3cxl n LEU 412 CO 0.29 -0.50 0.07 -0.04 -0.00 0.00 0.00 177.39 177.20 3cxl s MET 413 N -4.21 2.64 1.00 1.47 -1.94 -1.26 -4.95 119.30 112.05 3cxl s MET 413 Ca 0.00 -2.52 -0.16 0.00 -1.71 0.00 0.00 55.69 51.30 3cxl s MET 413 Cb 0.00 -3.78 0.20 0.00 2.01 0.00 0.00 34.83 33.26 3cxl s MET 413 CO 0.00 -1.18 1.25 0.54 -0.01 0.00 0.00 175.02 175.61 3cxl s ASN 414 N 0.80 2.80 0.24 3.03 2.20 -1.26 -4.15 114.94 118.60 3cxl s ASN 414 Ca 0.17 0.46 -0.07 0.00 -0.94 0.00 0.00 52.86 52.48 3cxl s ASN 414 Cb -0.20 -0.64 0.26 0.00 -2.00 0.00 0.00 41.25 38.68 3cxl s ASN 414 CO -0.04 -2.94 1.89 0.00 -2.94 0.00 0.00 177.10 173.07 3cxl h ALA 415 N -1.78 1.15 0.89 3.54 0.00 -1.93 -1.51 119.26 119.62 3cxl h ALA 415 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3cxl h ALA 415 Cb 1.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3cxl h ALA 415 CO 0.42 0.44 -0.49 1.49 0.00 0.00 0.00 179.25 181.11 3cxl h GLU 416 N 1.12 -1.23 -0.11 0.00 4.81 -1.93 0.62 114.58 117.86 3cxl h GLU 416 Ca 0.35 0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.56 3cxl h GLU 416 Cb -0.02 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3cxl h GLU 416 CO -0.11 -0.82 -0.38 -2.95 -0.73 0.00 0.00 179.01 174.02 3cxl h ASN 417 N -1.27 0.24 -0.69 1.04 7.08 -1.93 0.42 115.58 120.47 3cxl h ASN 417 Ca -0.12 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.01 3cxl h ASN 417 Cb 1.00 -0.07 -0.03 0.00 -2.08 0.00 0.00 38.32 37.14 3cxl h ASN 417 CO 0.16 0.61 0.43 -0.07 -2.08 0.00 0.00 177.43 176.48 3cxl h LEU 418 N 0.20 0.82 -2.15 6.14 3.38 -1.27 -2.15 115.31 120.28 3cxl h LEU 418 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3cxl h LEU 418 Cb 0.77 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3cxl h LEU 418 CO 0.06 0.62 -0.06 1.23 0.09 0.00 0.00 178.44 180.38 3cxl h GLY 419 N 0.94 0.00 0.86 0.83 0.00 0.25 -1.61 103.07 104.34 3cxl h GLY 419 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 3cxl h GLY 419 CO -0.05 0.00 0.05 -2.22 0.00 0.00 0.00 176.54 174.32 3cxl h ILE 420 N 0.00 1.22 -0.23 2.60 1.08 0.39 -2.92 117.51 119.64 3cxl h ILE 420 Ca -0.00 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 3cxl h ILE 420 Cb 0.25 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 3cxl h ILE 420 CO 0.01 0.22 -0.14 0.58 -0.69 0.00 0.00 178.15 178.14 3cxl h VAL 421 N 0.19 1.31 0.02 1.67 2.07 -1.14 -3.39 116.25 116.97 3cxl h VAL 421 Ca 0.07 -1.23 -0.30 0.00 0.82 0.00 0.00 66.70 66.06 3cxl h VAL 421 Cb 0.29 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3cxl h VAL 421 CO 0.00 0.38 -1.69 -0.26 0.02 0.00 0.00 177.57 176.02 3cxl h PHE 422 N 0.22 0.07 -0.32 1.57 0.04 -1.40 -3.38 116.94 113.75 3cxl h PHE 422 Ca 0.05 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3cxl h PHE 422 Cb 0.65 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 3cxl h PHE 422 CO 0.07 1.10 -0.19 0.41 -0.60 0.00 0.00 178.31 179.10 3cxl n GLY 423 N 1.60 -2.81 0.26 -1.45 0.00 -1.10 -0.28 105.19 101.40 3cxl n GLY 423 Ca -0.18 0.75 0.09 0.00 0.00 0.00 0.00 46.02 46.69 3cxl n GLY 423 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cxl h PRO 424 N 0.00 0.00 -0.01 1.61 0.11 -1.80 -1.60 132.00 130.31 3cxl h PRO 424 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3cxl h PRO 424 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3cxl h PRO 424 CO -0.30 0.07 -0.05 1.15 -0.21 0.00 0.00 178.00 178.67 3cxl h THR 425 N 0.00 1.53 -0.00 -1.15 2.02 -1.37 -3.32 112.91 110.63 3cxl h THR 425 Ca -0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3cxl h THR 425 Cb 0.14 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3cxl h THR 425 CO 0.01 0.43 -0.02 0.18 0.37 0.00 0.00 175.52 176.49 3cxl n LEU 426 N -4.72 0.14 -3.83 2.58 4.77 0.61 -4.63 117.00 111.93 3cxl n LEU 426 Ca -0.09 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3cxl n LEU 426 Cb 0.36 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.16 3cxl n LEU 426 CO 0.35 0.03 -0.34 -0.04 -1.33 0.00 0.00 177.39 176.05 3cxl s MET 427 N -2.30 0.00 -0.02 3.23 -1.94 -0.63 -2.07 119.30 115.58 3cxl s MET 427 Ca 0.37 0.09 0.03 0.00 -1.71 0.00 0.00 55.69 54.46 3cxl s MET 427 Cb 0.21 -0.08 -0.00 0.00 2.01 0.00 0.00 34.83 36.97 3cxl s MET 427 CO 0.42 -0.06 -0.09 1.03 -0.01 0.00 0.00 175.02 176.31 3cxl s ARG 428 N 0.38 0.87 0.33 2.03 0.52 -1.26 -4.54 118.95 117.28 3cxl s ARG 428 Ca -0.03 -0.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.59 3cxl s ARG 428 Cb -0.04 -0.82 -0.09 0.00 0.52 0.00 0.00 34.95 34.51 3cxl s ARG 428 CO -0.01 0.15 1.14 -1.54 0.02 0.00 0.00 175.30 175.06 3cxl s SER 429 N 0.03 6.93 -0.01 0.23 1.04 -1.26 -4.76 113.70 115.90 3cxl s SER 429 Ca -0.00 2.32 0.05 0.00 0.48 0.00 0.00 55.95 58.80 3cxl s SER 429 Cb -0.07 -2.62 0.15 0.00 0.10 0.00 0.00 66.02 63.59 3cxl s SER 429 CO 0.00 -0.39 1.08 -0.81 0.98 0.00 0.00 173.24 174.11 3cxl n PRO 430 N 0.67 1.45 -2.69 4.02 -0.05 -1.26 -4.92 135.00 132.22 3cxl n PRO 430 Ca 0.01 -0.62 -0.39 0.00 -0.05 0.00 0.00 63.50 62.45 3cxl n PRO 430 Cb 0.45 -1.19 -0.06 0.00 -0.05 0.00 0.00 33.50 32.65 3cxl n PRO 430 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3cxl s GLU 431 N -1.73 4.70 0.16 0.54 0.41 -1.26 -4.97 118.70 116.55 3cxl s GLU 431 Ca 0.11 1.51 -0.16 0.00 -0.41 0.00 0.00 54.97 56.02 3cxl s GLU 431 Cb 0.06 -3.09 0.07 0.00 -1.78 0.00 0.00 34.13 29.40 3cxl s GLU 431 CO 0.07 0.36 1.75 1.37 -0.49 0.00 0.00 175.26 178.31 3cxl h LEU 432 N 3.72 0.11 -8.51 1.80 -0.00 -2.04 -3.38 115.31 107.01 3cxl h LEU 432 Ca -0.46 0.04 -0.54 0.00 -0.00 0.00 0.00 57.88 56.92 3cxl h LEU 432 Cb 1.20 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.83 3cxl h LEU 432 CO 0.67 0.10 1.08 -0.62 -0.00 0.00 0.00 178.44 179.67 3cxl s ASP 433 N -5.35 6.13 0.17 0.17 -1.08 -1.26 -4.88 116.67 110.57 3cxl s ASP 433 Ca -0.13 0.02 -0.09 0.00 -0.52 0.00 0.00 52.55 51.82 3cxl s ASP 433 Cb 0.12 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 39.06 3cxl s ASP 433 CO 0.71 -1.76 1.56 0.00 0.52 0.00 0.00 175.17 176.20 3cxl h ALA 434 N 10.75 0.71 -0.65 3.66 0.00 -1.98 0.28 119.26 132.03 3cxl h ALA 434 Ca -0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 3cxl h ALA 434 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3cxl h ALA 434 CO 1.22 0.67 0.16 0.52 0.00 0.00 0.00 179.25 181.82 3cxl h MET 435 N 0.85 1.03 -0.40 0.00 2.86 -1.96 -2.38 114.93 114.92 3cxl h MET 435 Ca 0.11 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3cxl h MET 435 Cb 0.79 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3cxl h MET 435 CO 0.07 0.93 0.19 0.00 1.06 0.00 0.00 176.91 179.15 3cxl h ALA 436 N 1.06 0.52 0.00 6.32 0.00 -1.94 -2.64 119.26 122.59 3cxl h ALA 436 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cxl h ALA 436 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3cxl h ALA 436 CO 0.00 0.09 0.07 0.00 0.00 0.00 0.00 179.25 179.41 3cxl n ALA 437 N -2.28 0.87 0.11 0.00 0.00 0.07 -1.89 120.51 117.40 3cxl n ALA 437 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3cxl n ALA 437 Cb 0.12 -0.90 0.22 0.00 0.00 0.00 0.00 19.45 18.88 3cxl n ALA 437 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cxl h LEU 438 N 0.00 0.18 -2.37 0.00 7.12 -1.11 -2.68 115.31 116.45 3cxl h LEU 438 Ca 0.00 -0.08 0.03 0.00 0.13 0.00 0.00 57.88 57.95 3cxl h LEU 438 Cb 0.14 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 3cxl h LEU 438 CO 0.00 0.63 0.18 0.78 -0.13 0.00 0.00 178.44 179.90 3cxl h ASN 439 N 0.14 0.00 1.52 1.25 2.35 -1.57 -1.98 115.58 117.28 3cxl h ASN 439 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3cxl h ASN 439 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3cxl h ASN 439 CO 0.07 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.29 3cxl h ASP 440 N 0.00 0.00 -0.80 5.81 5.19 -1.70 -3.38 116.42 121.54 3cxl h ASP 440 Ca 0.04 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.64 3cxl h ASP 440 Cb 0.41 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.79 3cxl h ASP 440 CO -0.00 0.00 0.18 0.40 -3.12 0.00 0.00 179.24 176.70 3cxl h ILE 441 N 0.00 0.41 -0.83 0.35 1.08 -1.53 0.28 117.51 117.28 3cxl h ILE 441 Ca 0.00 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.53 3cxl h ILE 441 Cb 0.76 0.16 -0.09 0.00 -3.07 0.00 0.00 36.82 34.58 3cxl h ILE 441 CO 0.00 0.04 0.42 0.03 -0.69 0.00 0.00 178.15 177.95 3cxl h ARG 442 N 0.23 0.60 0.01 2.37 2.47 -1.82 0.92 114.38 119.16 3cxl h ARG 442 Ca 0.47 -0.04 -0.22 0.00 -1.26 0.00 0.00 59.98 58.93 3cxl h ARG 442 Cb 0.87 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.03 3cxl h ARG 442 CO -0.59 0.40 -1.08 1.88 0.56 0.00 0.00 179.97 181.14 3cxl h TYR 443 N 0.62 0.04 -0.48 3.04 0.05 -0.79 -0.94 116.97 118.52 3cxl h TYR 443 Ca 0.44 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.16 3cxl h TYR 443 Cb 0.60 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 3cxl h TYR 443 CO -0.10 1.03 0.18 1.96 -1.05 0.00 0.00 178.16 180.18 3cxl h GLN 444 N 0.01 0.73 -0.38 4.88 4.20 -0.82 -1.35 115.11 122.36 3cxl h GLN 444 Ca -0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3cxl h GLN 444 Cb 1.81 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 3cxl h GLN 444 CO 0.13 0.66 0.21 0.00 -0.67 0.00 0.00 178.83 179.16 3cxl h ARG 445 N 0.64 0.54 -0.01 1.46 2.47 -0.69 -3.02 114.38 115.76 3cxl h ARG 445 Ca 0.16 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.69 3cxl h ARG 445 Cb 0.22 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 3cxl h ARG 445 CO -0.01 0.44 -0.57 1.25 0.56 0.00 0.00 179.97 181.64 3cxl h LEU 446 N 0.49 0.04 0.52 3.04 5.85 -1.12 -2.66 115.31 121.46 3cxl h LEU 446 Ca 0.14 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3cxl h LEU 446 Cb 0.06 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.09 3cxl h LEU 446 CO -0.02 0.60 -0.25 0.58 -0.34 0.00 0.00 178.44 179.01 3cxl h VAL 447 N 0.02 0.48 -0.75 1.05 2.07 -1.15 0.62 116.25 118.59 3cxl h VAL 447 Ca -0.01 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3cxl h VAL 447 Cb 1.02 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3cxl h VAL 447 CO 0.08 0.01 0.48 0.58 0.02 0.00 0.00 177.57 178.74 3cxl h VAL 448 N -0.73 1.13 -0.48 2.57 2.07 -1.57 0.13 116.25 119.37 3cxl h VAL 448 Ca -0.07 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.21 3cxl h VAL 448 Cb 0.55 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 3cxl h VAL 448 CO 0.12 0.17 -0.02 -0.08 0.02 0.00 0.00 177.57 177.79 3cxl h GLU 449 N 0.95 0.10 -0.57 1.57 4.81 -1.24 0.22 114.58 120.43 3cxl h GLU 449 Ca 0.30 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 3cxl h GLU 449 Cb -0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3cxl h GLU 449 CO -0.10 0.06 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.14 3cxl h LEU 450 N 0.10 1.00 -1.14 1.64 3.38 0.09 -2.36 115.31 118.01 3cxl h LEU 450 Ca 0.24 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3cxl h LEU 450 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3cxl h LEU 450 CO -0.41 1.07 0.36 -0.07 0.09 0.00 0.00 178.44 179.48 3cxl h LEU 451 N 0.92 0.86 0.50 1.67 3.38 0.29 -2.55 115.31 120.38 3cxl h LEU 451 Ca 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3cxl h LEU 451 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3cxl h LEU 451 CO 0.03 0.70 -0.24 0.40 0.09 0.00 0.00 178.44 179.43 3cxl h ILE 452 N 0.96 0.35 0.06 1.22 2.04 -0.35 -2.11 117.51 119.68 3cxl h ILE 452 Ca 0.24 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3cxl h ILE 452 Cb 0.05 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3cxl h ILE 452 CO -0.04 0.05 -0.17 0.11 0.00 0.00 0.00 178.15 178.10 3cxl h LYS 453 N -0.99 -0.30 -0.55 2.37 1.57 -1.40 -2.92 116.57 114.34 3cxl h LYS 453 Ca -0.07 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3cxl h LYS 453 Cb 0.61 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3cxl h LYS 453 CO 0.11 -0.20 0.04 0.09 -0.57 0.00 0.00 179.45 178.92 3cxl n ASN 454 N -5.30 5.31 -0.32 0.86 3.02 -0.97 -4.41 115.26 113.46 3cxl n ASN 454 Ca -0.06 -3.00 0.16 0.00 -0.03 0.00 0.00 54.58 51.65 3cxl n ASN 454 Cb 0.22 -0.68 0.35 0.00 -0.61 0.00 0.00 39.78 39.06 3cxl n ASN 454 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3cxl h GLU 455 N 3.44 0.35 -0.31 3.52 4.22 -1.17 -1.97 114.58 122.66 3cxl h GLU 455 Ca 0.04 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.51 3cxl h GLU 455 Cb 1.96 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 3cxl h GLU 455 CO 0.49 0.23 0.21 0.38 -2.18 0.00 0.00 179.01 178.14 3cxl h ASP 456 N 0.36 0.17 0.01 1.04 3.04 -1.83 -2.39 116.42 116.82 3cxl h ASP 456 Ca 0.61 -0.00 -0.38 0.00 -3.24 0.00 0.00 57.03 54.02 3cxl h ASP 456 Cb 1.24 -0.04 -0.07 0.00 -1.04 0.00 0.00 39.33 39.42 3cxl h ASP 456 CO -0.57 0.11 -2.42 2.30 -2.04 0.00 0.00 179.24 176.62 3cxl n ILE 457 N -4.48 1.46 0.24 4.15 -5.35 -0.91 -4.49 119.36 109.98 3cxl n ILE 457 Ca 0.03 -0.68 0.12 0.00 -0.27 0.00 0.00 62.75 61.95 3cxl n ILE 457 Cb 0.25 -1.08 0.52 0.00 -1.74 0.00 0.00 39.64 37.59 3cxl n ILE 457 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3cxl h LEU 458 N 0.00 0.00 -1.24 7.28 3.38 -1.30 -3.53 115.31 119.90 3cxl h LEU 458 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3cxl h LEU 458 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3cxl h LEU 458 CO -0.04 0.17 0.00 0.49 0.09 0.00 0.00 178.44 179.15