#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxl h HIS -2 N 0.00 0.00 -0.11 4.41 3.86 -2.05 -2.96 115.15 118.29 1xxl h HIS -2 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1xxl h HIS -2 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xxl h HIS -2 CO 0.00 0.44 0.02 1.25 0.86 0.00 0.00 177.93 180.50 1xxl h HIS -1 N 0.00 0.19 -0.73 2.45 -0.00 -2.05 -1.09 115.15 113.92 1xxl h HIS -1 Ca -0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 1xxl h HIS -1 Cb 0.99 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.32 1xxl h HIS -1 CO 0.00 0.38 0.21 0.66 -0.00 0.00 0.00 177.93 179.18 1xxl h SER 0 N -0.05 1.08 -0.13 3.26 4.64 -1.98 -0.46 113.55 119.91 1xxl h SER 0 Ca 0.03 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1xxl h SER 0 Cb 0.29 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1xxl h SER 0 CO 0.00 1.02 0.04 0.25 -0.87 0.00 0.00 176.83 177.27 1xxl h LEU 1 N 1.10 0.19 -0.91 5.97 5.85 -1.51 -2.99 115.31 123.01 1xxl h LEU 1 Ca 0.23 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1xxl h LEU 1 Cb 0.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1xxl h LEU 1 CO -0.00 0.35 0.19 1.23 -0.34 0.00 0.00 178.44 179.87 1xxl h GLY 2 N 0.02 1.06 -1.39 3.75 0.00 -0.95 -1.64 103.07 103.92 1xxl h GLY 2 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1xxl h GLY 2 CO -0.00 0.57 0.00 -0.10 0.00 0.00 0.00 176.54 177.01 1xxl n LEU 3 N -4.27 0.16 0.00 3.11 0.00 -0.20 -1.20 117.00 114.60 1xxl n LEU 3 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 56.01 55.98 1xxl n LEU 3 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.60 1xxl n LEU 3 CO 0.41 0.03 0.00 -0.38 0.00 0.00 0.00 177.39 177.45 1xxl n ILE 5 N 0.65 0.00 0.04 1.96 5.41 -0.62 -0.98 119.36 125.83 1xxl n ILE 5 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1xxl n ILE 5 Cb 0.03 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.89 1xxl n ILE 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1xxl h LYS 6 N 0.00 -0.01 -0.20 0.38 3.64 -1.42 -2.92 116.57 116.04 1xxl h LYS 6 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1xxl h LYS 6 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1xxl h LYS 6 CO 0.00 -0.00 -0.10 1.15 -2.27 0.00 0.00 179.45 178.23 1xxl h THR 7 N -0.01 1.18 0.00 1.00 2.02 -1.31 -3.05 112.91 112.74 1xxl h THR 7 Ca -0.00 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1xxl h THR 7 Cb 0.01 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1xxl h THR 7 CO 0.00 0.25 -0.06 0.00 0.37 0.00 0.00 175.52 176.08 1xxl h ALA 8 N 1.61 1.29 -6.83 6.16 0.00 -1.76 -3.46 119.26 116.27 1xxl h ALA 8 Ca 0.06 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.35 1xxl h ALA 8 Cb 0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1xxl h ALA 8 CO 0.02 0.07 -0.95 0.39 0.00 0.00 0.00 179.25 178.78 1xxl n GLU 9 N -3.58 -1.46 -1.73 0.00 1.02 -1.16 -4.80 120.64 108.93 1xxl n GLU 9 Ca -0.02 0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1xxl n GLU 9 Cb 0.17 -3.66 -0.01 0.00 -0.02 0.00 0.00 31.44 27.92 1xxl n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xxl s ARG 11 N -1.71 3.01 0.58 0.00 0.52 -1.26 -5.02 118.95 115.07 1xxl s ARG 11 Ca 0.56 -0.69 0.30 0.00 -0.52 0.00 0.00 55.73 55.38 1xxl s ARG 11 Cb -0.53 -2.77 1.79 0.00 0.52 0.00 0.00 34.95 33.96 1xxl s ARG 11 CO 0.61 0.55 2.24 0.00 0.02 0.00 0.00 175.30 178.71 1xxl h ALA 12 N 2.97 1.48 -0.01 2.13 0.00 -1.95 -1.69 119.26 122.19 1xxl h ALA 12 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xxl h ALA 12 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xxl h ALA 12 CO 0.67 0.02 -0.05 0.39 0.00 0.00 0.00 179.25 180.29 1xxl n GLU 13 N -3.80 1.33 -2.58 0.00 4.71 -1.26 -1.62 120.64 117.43 1xxl n GLU 13 Ca -0.03 -0.65 -0.36 0.00 -0.01 0.00 0.00 57.16 56.11 1xxl n GLU 13 Cb 0.10 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.00 1xxl n GLU 13 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1xxl s HIS 14 N -2.12 3.26 -0.12 -0.32 3.76 -0.64 -4.68 115.29 114.43 1xxl s HIS 14 Ca 0.37 1.64 0.01 0.00 -0.15 0.00 0.00 55.06 56.93 1xxl s HIS 14 Cb 0.21 -3.09 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 1xxl s HIS 14 CO 0.38 -0.57 -0.14 1.03 -0.85 0.00 0.00 174.74 174.58 1xxl s ARG 15 N -2.62 3.25 0.06 1.40 0.52 -1.26 -0.86 118.95 119.45 1xxl s ARG 15 Ca 0.59 -0.71 0.09 0.00 -0.52 0.00 0.00 55.73 55.18 1xxl s ARG 15 Cb -0.20 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1xxl s ARG 15 CO 0.25 0.26 -0.24 0.54 0.02 0.00 0.00 175.30 176.13 1xxl s VAL 16 N 0.22 1.98 -0.14 3.52 0.11 -0.38 -1.60 120.40 124.11 1xxl s VAL 16 Ca -0.09 -1.41 -0.01 0.00 -2.93 0.00 0.00 61.98 57.54 1xxl s VAL 16 Cb -0.15 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1xxl s VAL 16 CO 0.05 0.23 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.72 1xxl s LEU 17 N -1.43 2.80 -0.27 2.54 2.96 -0.38 -1.06 118.68 123.83 1xxl s LEU 17 Ca 0.10 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1xxl s LEU 17 Cb -0.10 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1xxl s LEU 17 CO 0.03 0.15 0.03 -0.62 -1.32 0.00 0.00 176.35 174.61 1xxl s ASP 18 N 0.46 4.82 -0.19 3.68 2.15 0.29 0.27 116.67 128.15 1xxl s ASP 18 Ca -0.08 -0.70 -0.15 0.00 0.43 0.00 0.00 52.55 52.04 1xxl s ASP 18 Cb -0.15 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 1xxl s ASP 18 CO 0.04 -0.15 0.37 -0.63 -0.17 0.00 0.00 175.17 174.63 1xxl s ILE 19 N 1.45 5.23 -0.35 4.11 -1.09 0.15 -1.23 121.20 129.48 1xxl s ILE 19 Ca 0.02 0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 1xxl s ILE 19 Cb -0.17 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1xxl s ILE 19 CO 0.00 0.29 0.30 0.61 -1.23 0.00 0.00 174.94 174.90 1xxl n GLY 20 N 3.80 0.24 0.27 6.18 0.00 -0.09 -4.36 105.19 111.23 1xxl n GLY 20 Ca -0.09 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 45.95 1xxl n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxl h ALA 21 N 0.12 1.00 -0.78 4.61 0.00 -1.38 -3.45 119.26 119.38 1xxl h ALA 21 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xxl h ALA 21 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xxl h ALA 21 CO 0.14 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1xxl n GLY 22 N 0.04 3.53 0.16 0.00 0.00 -1.26 -1.44 105.19 106.21 1xxl n GLY 22 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.18 1xxl n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxl n ALA 23 N 11.29 2.65 -0.11 4.61 0.00 -1.26 -4.43 120.51 133.26 1xxl n ALA 23 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1xxl n ALA 23 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1xxl n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxl n GLY 24 N 1.05 0.83 0.30 0.00 0.00 -0.52 -4.17 105.19 102.67 1xxl n GLY 24 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 1xxl n GLY 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xxl h HIS 25 N 0.00 1.04 -0.10 1.61 3.86 -1.91 -1.35 115.15 118.30 1xxl h HIS 25 Ca 0.00 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1xxl h HIS 25 Cb 0.00 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 1xxl h HIS 25 CO 0.00 0.80 0.04 1.15 0.86 0.00 0.00 177.93 180.78 1xxl h THR 26 N 0.98 1.12 -0.65 2.45 2.02 -1.94 -1.79 112.91 115.10 1xxl h THR 26 Ca 0.23 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xxl h THR 26 Cb 0.18 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1xxl h THR 26 CO -0.02 0.11 0.42 0.00 0.37 0.00 0.00 175.52 176.40 1xxl h ALA 27 N 0.91 0.83 -0.34 6.16 0.00 -1.85 -2.31 119.26 122.65 1xxl h ALA 27 Ca 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xxl h ALA 27 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xxl h ALA 27 CO -0.00 0.26 -0.10 -0.07 0.00 0.00 0.00 179.25 179.35 1xxl h LEU 28 N 0.88 0.55 -0.93 0.00 3.38 -1.13 -2.27 115.31 115.80 1xxl h LEU 28 Ca 0.24 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1xxl h LEU 28 Cb -0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xxl h LEU 28 CO -0.05 0.69 -0.23 0.00 0.09 0.00 0.00 178.44 178.94 1xxl h ALA 29 N 1.37 1.10 0.00 1.53 0.00 -0.97 -2.96 119.26 119.33 1xxl h ALA 29 Ca 0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1xxl h ALA 29 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xxl h ALA 29 CO 0.03 0.56 -0.42 0.74 0.00 0.00 0.00 179.25 180.16 1xxl h PHE 30 N 0.46 0.00 -0.74 0.00 -1.00 -1.14 -3.39 116.94 111.13 1xxl h PHE 30 Ca 0.07 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.93 1xxl h PHE 30 Cb 0.65 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.16 1xxl h PHE 30 CO 0.02 0.42 0.48 0.66 -1.61 0.00 0.00 178.31 178.29 1xxl h SER 31 N 0.00 0.62 0.49 2.17 4.64 -1.23 0.22 113.55 120.46 1xxl h SER 31 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xxl h SER 31 Cb 1.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1xxl h SER 31 CO 0.05 0.38 0.00 -2.65 -0.87 0.00 0.00 176.83 173.75 1xxl n PRO 32 N -4.49 0.17 -0.00 4.77 -0.02 -1.26 -3.59 135.00 130.58 1xxl n PRO 32 Ca 0.12 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1xxl n PRO 32 Cb 0.29 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 1xxl n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xxl n TYR 33 N -2.22 0.00 -4.34 6.00 4.01 0.06 -5.02 117.16 115.66 1xxl n TYR 33 Ca 0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.58 1xxl n TYR 33 Cb 0.16 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 38.86 1xxl n TYR 33 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1xxl s VAL 34 N -3.02 0.66 0.05 -0.72 -7.23 -1.20 -3.82 120.40 105.12 1xxl s VAL 34 Ca -0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 1xxl s VAL 34 Cb 0.13 -2.66 -0.13 0.00 0.56 0.00 0.00 36.38 34.29 1xxl s VAL 34 CO 0.76 -0.01 1.40 -0.61 -0.31 0.00 0.00 175.10 176.34 1xxl h GLN 35 N 2.35 0.37 -2.50 4.82 4.15 -0.02 -3.47 115.11 120.81 1xxl h GLN 35 Ca -0.39 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 58.78 1xxl h GLN 35 Cb 1.25 -0.01 -0.21 0.00 0.21 0.00 0.00 27.48 28.72 1xxl h GLN 35 CO 0.62 0.69 -0.07 -2.00 -1.93 0.00 0.00 178.83 176.14 1xxl s GLU 36 N -4.54 0.75 -0.07 1.69 2.12 -1.19 -4.85 118.70 112.61 1xxl s GLU 36 Ca -0.14 0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.57 1xxl s GLU 36 Cb 0.06 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.81 1xxl s GLU 36 CO 0.75 -0.17 -0.16 0.00 -0.54 0.00 0.00 175.26 175.13 1xxl s ILE 38 N 0.39 2.50 -0.01 0.00 1.01 -0.23 -1.44 121.20 123.43 1xxl s ILE 38 Ca -0.12 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1xxl s ILE 38 Cb -0.15 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1xxl s ILE 38 CO 0.04 0.55 -0.10 -0.83 0.00 0.00 0.00 174.94 174.60 1xxl s GLY 39 N 0.19 1.67 -0.06 6.18 0.00 -0.23 -0.55 107.32 114.51 1xxl s GLY 39 Ca -0.11 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 43.63 1xxl s GLY 39 CO 0.06 -0.88 -0.24 -1.34 0.00 0.00 0.00 173.10 170.70 1xxl s VAL 40 N -0.91 2.12 0.02 1.40 -7.23 -0.36 -1.13 120.40 114.31 1xxl s VAL 40 Ca 0.15 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 1xxl s VAL 40 Cb -0.11 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1xxl s VAL 40 CO 0.05 0.57 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.71 1xxl s ASP 41 N -0.11 0.95 0.52 4.85 2.15 -0.74 -0.91 116.67 123.37 1xxl s ASP 41 Ca -0.05 -0.35 0.29 0.00 0.43 0.00 0.00 52.55 52.87 1xxl s ASP 41 Cb -0.14 -0.04 1.38 0.00 -0.30 0.00 0.00 42.92 43.82 1xxl s ASP 41 CO 0.04 -0.05 2.01 0.00 -0.17 0.00 0.00 175.17 177.01 1xxl h ALA 42 N 5.18 1.12 -3.26 3.66 0.00 -1.81 -0.84 119.26 123.32 1xxl h ALA 42 Ca -0.33 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 53.83 1xxl h ALA 42 Cb 1.19 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 1xxl h ALA 42 CO 0.45 0.14 -0.68 0.95 0.00 0.00 0.00 179.25 180.11 1xxl s THR 43 N -3.93 3.79 0.25 0.00 -4.23 -1.26 -4.72 115.64 105.54 1xxl s THR 43 Ca -0.01 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.08 1xxl s THR 43 Cb 0.11 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 71.52 1xxl s THR 43 CO 0.57 0.48 1.72 0.50 -0.54 0.00 0.00 174.62 177.36 1xxl h LYS 44 N 6.90 0.42 0.00 3.99 3.64 -1.99 -2.26 116.57 127.26 1xxl h LYS 44 Ca -0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1xxl h LYS 44 Cb 1.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1xxl h LYS 44 CO 0.62 0.27 0.00 -0.85 -2.27 0.00 0.00 179.45 177.22 1xxl n GLU 45 N -5.02 0.00 0.00 1.90 0.00 -1.26 -1.44 120.64 114.82 1xxl n GLU 45 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1xxl n GLU 45 Cb 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 31.44 30.99 1xxl n GLU 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1xxl n VAL 47 N 0.34 0.00 -0.11 3.84 0.31 -0.85 -1.32 118.33 120.53 1xxl n VAL 47 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1xxl n VAL 47 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1xxl n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1xxl h GLU 48 N 0.00 0.60 -0.12 5.55 4.39 -1.53 -1.76 114.58 121.71 1xxl h GLU 48 Ca 0.00 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.50 1xxl h GLU 48 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1xxl h GLU 48 CO 0.00 0.74 0.06 0.28 -1.16 0.00 0.00 179.01 178.93 1xxl h VAL 49 N 0.40 1.00 -0.63 3.13 2.07 -1.47 -1.83 116.25 118.92 1xxl h VAL 49 Ca 0.09 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xxl h VAL 49 Cb 0.49 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1xxl h VAL 49 CO 0.02 0.02 0.29 0.00 0.02 0.00 0.00 177.57 177.92 1xxl h ALA 50 N 1.06 0.81 -0.68 1.67 0.00 -1.71 -0.61 119.26 119.80 1xxl h ALA 50 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xxl h ALA 50 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1xxl h ALA 50 CO -0.03 0.39 0.43 0.77 0.00 0.00 0.00 179.25 180.81 1xxl h SER 51 N 0.87 0.72 -0.04 0.00 0.02 -1.08 -1.15 113.55 112.89 1xxl h SER 51 Ca 0.21 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.97 1xxl h SER 51 Cb 0.14 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1xxl h SER 51 CO -0.02 0.50 -0.64 0.77 -1.14 0.00 0.00 176.83 176.30 1xxl h SER 52 N 0.85 0.75 -0.61 3.07 4.64 -1.13 -2.49 113.55 118.64 1xxl h SER 52 Ca 0.27 -0.44 0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1xxl h SER 52 Cb -0.01 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 61.77 1xxl h SER 52 CO -0.09 1.20 0.15 0.15 -0.87 0.00 0.00 176.83 177.37 1xxl h PHE 53 N 0.48 0.24 -0.80 4.77 3.57 -0.83 -0.12 116.94 124.25 1xxl h PHE 53 Ca -0.01 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1xxl h PHE 53 Cb 1.23 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 1xxl h PHE 53 CO 0.06 -0.01 0.31 0.00 -2.23 0.00 0.00 178.31 176.44 1xxl h ALA 54 N 1.47 1.04 0.86 2.41 0.00 -1.05 -2.17 119.26 121.83 1xxl h ALA 54 Ca 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xxl h ALA 54 Cb 0.47 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xxl h ALA 54 CO -0.39 0.67 -0.43 1.96 0.00 0.00 0.00 179.25 181.06 1xxl h GLN 55 N 1.16 -1.14 -1.12 0.00 4.20 -0.92 -1.95 115.11 115.35 1xxl h GLN 55 Ca 0.26 0.08 0.35 0.00 0.06 0.00 0.00 58.65 59.40 1xxl h GLN 55 Cb 0.23 0.26 -0.13 0.00 0.30 0.00 0.00 27.48 28.14 1xxl h GLN 55 CO -0.02 -0.76 0.69 1.49 -0.67 0.00 0.00 178.83 179.56 1xxl h GLU 56 N -1.18 0.25 -0.01 1.46 4.81 -1.03 0.18 114.58 119.06 1xxl h GLU 56 Ca -0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xxl h GLU 56 Cb 0.91 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1xxl h GLU 56 CO 0.18 0.17 -0.18 1.63 -0.73 0.00 0.00 179.01 180.08 1xxl n LYS 57 N -4.83 1.05 -1.08 1.92 4.76 -0.82 -4.96 118.16 114.20 1xxl n LYS 57 Ca 0.32 -0.60 -0.03 0.00 -2.87 0.00 0.00 58.31 55.13 1xxl n LYS 57 Cb 1.11 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.80 1xxl n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxl n GLY 58 N 1.29 0.54 3.71 0.72 0.00 0.62 -5.00 105.19 107.07 1xxl n GLY 58 Ca 0.14 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1xxl n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xxl s VAL 59 N -1.81 4.91 -1.29 1.61 -7.23 -0.84 -4.94 120.40 110.79 1xxl s VAL 59 Ca 0.00 1.93 0.16 0.00 -1.81 0.00 0.00 61.98 62.26 1xxl s VAL 59 Cb 0.00 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 1xxl s VAL 59 CO 0.00 0.18 0.81 -0.62 -0.31 0.00 0.00 175.10 175.16 1xxl n GLU 60 N 3.87 1.75 -0.66 4.82 -0.58 -1.26 -4.54 120.64 124.03 1xxl n GLU 60 Ca 0.04 -0.62 0.01 0.00 -0.42 0.00 0.00 57.16 56.17 1xxl n GLU 60 Cb 0.51 -1.26 0.23 0.00 -0.57 0.00 0.00 31.44 30.35 1xxl n GLU 60 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1xxl n ASN 61 N -0.41 3.26 -3.96 1.62 6.94 -1.26 -4.94 115.26 116.50 1xxl n ASN 61 Ca 0.06 -3.40 -0.19 0.00 -0.02 0.00 0.00 54.58 51.03 1xxl n ASN 61 Cb 0.31 -0.61 -0.16 0.00 -2.36 0.00 0.00 39.78 36.97 1xxl n ASN 61 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xxl s VAL 62 N -3.05 0.66 0.00 3.53 1.01 -1.26 -1.14 120.40 120.15 1xxl s VAL 62 Ca 0.44 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1xxl s VAL 62 Cb 0.38 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1xxl s VAL 62 CO 0.05 0.22 0.05 -0.13 0.00 0.00 0.00 175.10 175.28 1xxl s ARG 63 N 0.33 0.30 0.05 2.72 0.52 -0.52 -4.99 118.95 117.36 1xxl s ARG 63 Ca -0.05 -0.36 0.09 0.00 -0.52 0.00 0.00 55.73 54.90 1xxl s ARG 63 Cb -0.09 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 1xxl s ARG 63 CO 0.00 -0.06 -0.26 -0.06 0.02 0.00 0.00 175.30 174.94 1xxl s PHE 64 N -1.03 2.30 0.07 -0.53 0.40 -1.26 -1.06 117.98 116.86 1xxl s PHE 64 Ca -0.11 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1xxl s PHE 64 Cb -0.07 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1xxl s PHE 64 CO 0.00 0.14 0.12 1.14 0.70 0.00 0.00 175.22 177.32 1xxl s GLN 65 N -1.31 0.75 0.10 0.44 -2.07 -0.28 -4.95 119.66 112.33 1xxl s GLN 65 Ca 0.12 -1.00 -0.29 0.00 -1.82 0.00 0.00 55.36 52.36 1xxl s GLN 65 Cb -0.10 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 1xxl s GLN 65 CO 0.02 -0.21 0.94 -1.14 -1.32 0.00 0.00 175.29 173.59 1xxl s GLN 66 N -3.72 4.67 0.00 9.60 0.74 -1.26 -1.80 119.66 127.89 1xxl s GLN 66 Ca 0.04 1.41 0.00 0.00 0.05 0.00 0.00 55.36 56.86 1xxl s GLN 66 Cb 0.05 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1xxl s GLN 66 CO -0.10 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.26 1xxl n GLY 67 N 2.30 0.18 3.60 2.59 0.00 -0.32 -4.84 105.19 108.70 1xxl n GLY 67 Ca 0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1xxl n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xxl s THR 68 N -2.00 3.45 0.49 2.61 -4.23 -1.26 -2.47 115.64 112.23 1xxl s THR 68 Ca 0.00 -1.35 0.21 0.00 -1.18 0.00 0.00 61.69 59.37 1xxl s THR 68 Cb 0.00 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1xxl s THR 68 CO 0.00 0.03 2.10 0.00 -0.54 0.00 0.00 174.62 176.21 1xxl h ALA 69 N 3.29 1.64 0.00 3.99 0.00 -1.96 -2.59 119.26 123.64 1xxl h ALA 69 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xxl h ALA 69 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xxl h ALA 69 CO 0.54 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.83 1xxl h GLU 70 N 0.00 0.00 -2.01 0.00 3.07 -1.88 -3.39 114.58 110.37 1xxl h GLU 70 Ca -0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.48 1xxl h GLU 70 Cb 0.18 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 27.77 1xxl h GLU 70 CO 0.01 0.00 -0.69 0.45 -1.40 0.00 0.00 179.01 177.38 1xxl s SER 71 N -5.13 1.33 -0.03 1.42 0.15 -0.98 -4.76 113.70 105.70 1xxl s SER 71 Ca 0.04 -1.56 -0.21 0.00 0.70 0.00 0.00 55.95 54.92 1xxl s SER 71 Cb 0.09 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1xxl s SER 71 CO 0.51 -0.27 0.60 -0.76 1.20 0.00 0.00 173.24 174.52 1xxl s LEU 72 N 1.48 4.38 0.00 3.45 1.43 -1.25 -4.31 118.68 123.86 1xxl s LEU 72 Ca 0.16 1.12 0.31 0.00 -1.03 0.00 0.00 54.13 54.69 1xxl s LEU 72 Cb -0.16 -2.92 1.72 0.00 0.03 0.00 0.00 46.19 44.86 1xxl s LEU 72 CO -0.05 0.04 2.13 -0.81 0.23 0.00 0.00 176.35 177.89 1xxl n PRO 73 N 3.07 0.94 -2.27 1.29 -0.04 -1.26 -4.92 135.00 131.81 1xxl n PRO 73 Ca -0.06 -0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1xxl n PRO 73 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1xxl n PRO 73 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xxl s PHE 74 N -2.13 3.51 0.78 0.54 0.08 -1.26 -5.02 117.98 114.48 1xxl s PHE 74 Ca 0.42 1.37 -0.13 0.00 0.12 0.00 0.00 56.93 58.71 1xxl s PHE 74 Cb 0.21 -2.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.00 1xxl s PHE 74 CO 0.39 -0.45 1.18 -2.14 -0.10 0.00 0.00 175.22 174.10 1xxl s PRO 75 N -4.41 1.87 0.42 0.24 0.02 -1.26 -4.91 135.00 126.97 1xxl s PRO 75 Ca 0.57 1.63 -0.24 0.00 0.02 0.00 0.00 61.00 62.98 1xxl s PRO 75 Cb -0.10 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 1xxl s PRO 75 CO 0.39 -2.01 0.99 -0.25 -0.33 0.00 0.00 177.00 175.79 1xxl n ASP 76 N -3.20 1.18 -3.70 2.53 9.92 -1.26 -3.54 116.55 118.48 1xxl n ASP 76 Ca 0.12 1.03 -0.21 0.00 -0.53 0.00 0.00 54.79 55.20 1xxl n ASP 76 Cb 0.51 -1.34 0.03 0.00 -0.64 0.00 0.00 41.12 39.68 1xxl n ASP 76 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xxl n ASP 77 N 0.53 -1.33 -0.01 -2.24 8.00 0.12 -4.91 116.55 116.71 1xxl n ASP 77 Ca 0.10 -0.81 0.04 0.00 0.71 0.00 0.00 54.79 54.82 1xxl n ASP 77 Cb 0.39 -4.09 -0.04 0.00 -0.02 0.00 0.00 41.12 37.35 1xxl n ASP 77 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xxl n SER 78 N -3.05 0.42 -4.22 -2.24 3.41 0.17 -4.54 113.62 103.57 1xxl n SER 78 Ca -0.29 -0.71 -0.28 0.00 -0.26 0.00 0.00 58.87 57.34 1xxl n SER 78 Cb 0.67 0.96 -0.16 0.00 -0.26 0.00 0.00 64.21 65.43 1xxl n SER 78 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xxl s PHE 79 N -1.71 1.91 0.12 7.33 0.08 -0.67 -4.91 117.98 120.14 1xxl s PHE 79 Ca 0.03 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1xxl s PHE 79 Cb 0.06 -1.24 -0.12 0.00 -0.57 0.00 0.00 43.02 41.15 1xxl s PHE 79 CO 0.32 -0.06 1.28 -0.44 -0.10 0.00 0.00 175.22 176.21 1xxl h ASP 80 N 5.73 0.50 -3.65 1.36 5.19 -1.64 0.44 116.42 124.35 1xxl h ASP 80 Ca -0.38 -0.42 -0.27 0.00 -0.62 0.00 0.00 57.03 55.34 1xxl h ASP 80 Cb 1.14 -0.15 -0.31 0.00 0.18 0.00 0.00 39.33 40.20 1xxl h ASP 80 CO 0.48 1.24 -0.73 -0.63 -3.12 0.00 0.00 179.24 176.48 1xxl s ILE 81 N -3.15 0.02 -0.07 0.35 1.01 -1.14 -1.88 121.20 116.33 1xxl s ILE 81 Ca -0.05 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1xxl s ILE 81 Cb 0.09 -0.07 0.01 0.00 0.01 0.00 0.00 42.46 42.49 1xxl s ILE 81 CO 0.87 0.05 -0.17 -0.63 0.00 0.00 0.00 174.94 175.06 1xxl s ILE 82 N 0.44 1.46 0.06 2.92 1.01 -0.48 -1.25 121.20 125.35 1xxl s ILE 82 Ca -0.04 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1xxl s ILE 82 Cb -0.06 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1xxl s ILE 82 CO -0.01 0.43 -0.22 0.42 0.00 0.00 0.00 174.94 175.55 1xxl s THR 83 N 0.47 2.51 -0.24 2.92 -4.23 0.14 -0.32 115.64 116.89 1xxl s THR 83 Ca -0.14 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1xxl s THR 83 Cb -0.16 -2.04 0.12 0.00 1.34 0.00 0.00 72.50 71.76 1xxl s THR 83 CO 0.05 0.31 0.32 0.00 -0.54 0.00 0.00 174.62 174.75 1xxl s ARG 85 N 2.45 2.34 -1.51 0.00 3.52 -1.26 -0.88 118.95 123.61 1xxl s ARG 85 Ca 0.10 -1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 54.27 1xxl s ARG 85 Cb -0.15 -3.05 0.08 0.00 -1.56 0.00 0.00 34.95 30.27 1xxl s ARG 85 CO -0.17 -0.60 0.90 0.66 -0.81 0.00 0.00 175.30 175.27 1xxl n TYR 86 N 4.53 -2.21 0.00 5.12 4.01 0.13 -4.84 117.16 123.91 1xxl n TYR 86 Ca -0.13 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 1xxl n TYR 86 Cb 0.43 -3.85 0.00 0.00 -0.31 0.00 0.00 39.34 35.61 1xxl n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xxl n ALA 87 N -4.46 1.93 0.09 -0.72 0.00 -1.26 -4.78 120.51 111.31 1xxl n ALA 87 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1xxl n ALA 87 Cb 0.53 0.15 0.44 0.00 0.00 0.00 0.00 19.45 20.57 1xxl n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxl h ALA 88 N 0.00 1.64 0.00 0.00 0.00 -1.88 -1.29 119.26 117.74 1xxl h ALA 88 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xxl h ALA 88 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xxl h ALA 88 CO 0.00 0.27 0.00 -2.39 0.00 0.00 0.00 179.25 177.13 1xxl n HIS 89 N -4.39 0.00 0.72 0.00 1.44 -1.26 -1.47 115.22 110.26 1xxl n HIS 89 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 1xxl n HIS 89 Cb 0.17 -0.39 0.10 0.00 0.12 0.00 0.00 29.99 29.98 1xxl n HIS 89 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xxl n HIS 90 N -1.39 0.09 -2.27 -1.40 8.25 -0.49 -1.22 115.22 116.79 1xxl n HIS 90 Ca 0.04 -0.05 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1xxl n HIS 90 Cb 0.10 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1xxl n HIS 90 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xxl s PHE 91 N -1.60 3.31 0.32 4.41 0.08 -0.54 -4.76 117.98 119.19 1xxl s PHE 91 Ca 0.25 1.31 0.08 0.00 0.12 0.00 0.00 56.93 58.69 1xxl s PHE 91 Cb 0.17 -3.54 0.53 0.00 -0.57 0.00 0.00 43.02 39.61 1xxl s PHE 91 CO 0.25 -1.62 1.74 0.66 -0.10 0.00 0.00 175.22 176.15 1xxl h SER 92 N 5.17 0.19 -2.19 1.36 4.64 -1.94 -3.40 113.55 117.39 1xxl h SER 92 Ca -0.45 -0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.33 1xxl h SER 92 Cb 1.21 -0.05 -0.34 0.00 -0.31 0.00 0.00 62.40 62.91 1xxl h SER 92 CO 0.75 0.57 -0.78 -0.62 -0.87 0.00 0.00 176.83 175.88 1xxl s ASP 93 N -6.89 1.73 0.36 4.97 -1.08 -1.26 -5.01 116.67 109.50 1xxl s ASP 93 Ca -0.04 -2.01 0.07 0.00 -0.52 0.00 0.00 52.55 50.06 1xxl s ASP 93 Cb 0.14 0.14 0.68 0.00 -1.46 0.00 0.00 42.92 42.43 1xxl s ASP 93 CO 0.76 -0.26 1.88 0.58 0.52 0.00 0.00 175.17 178.65 1xxl h VAL 94 N 4.97 1.20 -0.67 1.11 2.07 -1.91 -1.58 116.25 121.43 1xxl h VAL 94 Ca 0.08 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1xxl h VAL 94 Cb 1.01 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1xxl h VAL 94 CO 0.23 0.27 0.39 0.03 0.02 0.00 0.00 177.57 178.52 1xxl h ARG 95 N 0.32 0.91 -0.46 1.57 3.08 -1.98 0.15 114.38 117.98 1xxl h ARG 95 Ca 0.06 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1xxl h ARG 95 Cb 0.40 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1xxl h ARG 95 CO 0.02 0.66 -0.24 -0.22 -1.07 0.00 0.00 179.97 179.13 1xxl h LYS 96 N 0.91 0.96 -0.56 0.04 1.63 -1.83 -2.22 116.57 115.50 1xxl h LYS 96 Ca 0.24 -0.42 0.03 0.00 -0.85 0.00 0.00 60.65 59.65 1xxl h LYS 96 Cb -0.01 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1xxl h LYS 96 CO -0.04 1.08 0.34 0.00 -3.45 0.00 0.00 179.45 177.38 1xxl h ALA 97 N 0.90 0.72 -0.73 5.00 0.00 -0.69 -1.45 119.26 123.02 1xxl h ALA 97 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1xxl h ALA 97 Cb 0.81 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1xxl h ALA 97 CO 0.07 0.05 0.20 0.28 0.00 0.00 0.00 179.25 179.85 1xxl h VAL 98 N 0.66 1.26 -0.42 0.00 2.07 -0.85 -0.59 116.25 118.39 1xxl h VAL 98 Ca 0.23 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1xxl h VAL 98 Cb 0.03 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1xxl h VAL 98 CO -0.10 0.37 0.27 -0.09 0.02 0.00 0.00 177.57 178.04 1xxl h ARG 99 N 1.10 0.54 -0.53 1.57 2.43 -0.97 -0.97 114.38 117.55 1xxl h ARG 99 Ca 0.23 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1xxl h ARG 99 Cb 0.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1xxl h ARG 99 CO -0.00 0.36 0.11 0.93 -1.51 0.00 0.00 179.97 179.85 1xxl h GLU 100 N 0.55 0.87 -0.31 0.20 4.39 -1.00 -2.17 114.58 117.11 1xxl h GLU 100 Ca 0.16 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1xxl h GLU 100 Cb -0.05 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1xxl h GLU 100 CO -0.04 0.84 0.09 0.28 -1.16 0.00 0.00 179.01 179.01 1xxl h VAL 101 N 0.76 0.88 -0.98 3.13 2.07 -0.92 -2.31 116.25 118.88 1xxl h VAL 101 Ca 0.16 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1xxl h VAL 101 Cb 0.38 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1xxl h VAL 101 CO 0.01 0.04 0.63 0.00 0.02 0.00 0.00 177.57 178.26 1xxl h ALA 102 N 1.21 1.35 -0.18 1.67 0.00 -0.98 -1.51 119.26 120.82 1xxl h ALA 102 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xxl h ALA 102 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xxl h ALA 102 CO -0.17 0.42 0.05 -0.09 0.00 0.00 0.00 179.25 179.46 1xxl h ARG 103 N 1.15 0.29 0.00 0.00 2.43 -1.00 -3.21 114.38 114.04 1xxl h ARG 103 Ca 0.42 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1xxl h ARG 103 Cb 0.16 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1xxl h ARG 103 CO -0.17 0.41 -0.23 -0.39 -1.51 0.00 0.00 179.97 178.08 1xxl h VAL 104 N 0.11 0.00 -3.54 0.20 -1.51 -1.29 0.38 116.25 110.60 1xxl h VAL 104 Ca 0.06 -0.55 -0.52 0.00 -1.23 0.00 0.00 66.70 64.46 1xxl h VAL 104 Cb 0.25 1.39 0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1xxl h VAL 104 CO -0.00 0.00 0.52 -0.22 -1.23 0.00 0.00 177.57 176.63 1xxl s LEU 105 N -4.61 4.47 0.61 4.19 2.96 -0.58 0.41 118.68 126.13 1xxl s LEU 105 Ca 0.09 2.17 -0.18 0.00 -0.22 0.00 0.00 54.13 55.98 1xxl s LEU 105 Cb 0.12 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 1xxl s LEU 105 CO 0.65 -0.29 1.20 -0.54 -1.32 0.00 0.00 176.35 176.05 1xxl s LYS 106 N -0.37 2.87 0.13 1.98 1.02 0.14 -3.89 119.74 121.63 1xxl s LYS 106 Ca 0.51 1.80 -0.35 0.00 0.02 0.00 0.00 55.97 57.94 1xxl s LYS 106 Cb -0.31 -1.92 -0.15 0.00 -0.52 0.00 0.00 37.83 34.93 1xxl s LYS 106 CO 0.36 -1.28 1.40 1.04 -0.92 0.00 0.00 175.35 175.96 1xxl n GLN 107 N -1.75 1.53 -1.15 1.68 1.13 -1.26 -0.27 117.38 117.29 1xxl n GLN 107 Ca 0.13 0.55 -0.05 0.00 -1.94 0.00 0.00 57.00 55.70 1xxl n GLN 107 Cb 0.50 -2.22 -0.02 0.00 0.11 0.00 0.00 30.24 28.60 1xxl n GLN 107 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xxl n ASP 108 N 2.73 -5.01 -4.78 1.08 8.00 0.53 -4.98 116.55 114.12 1xxl n ASP 108 Ca 0.17 0.13 -0.29 0.00 0.71 0.00 0.00 54.79 55.50 1xxl n ASP 108 Cb 0.24 -2.95 0.12 0.00 -0.02 0.00 0.00 41.12 38.50 1xxl n ASP 108 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xxl s GLY 109 N -2.29 1.60 -0.13 0.44 0.00 0.62 -4.74 107.32 102.83 1xxl s GLY 109 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.40 1xxl s GLY 109 CO 0.00 0.18 -0.10 0.50 0.00 0.00 0.00 173.10 173.68 1xxl s ARG 110 N -5.16 3.43 -0.25 2.90 0.52 -0.79 -2.24 118.95 117.36 1xxl s ARG 110 Ca 0.62 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 55.13 1xxl s ARG 110 Cb -0.15 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1xxl s ARG 110 CO 0.54 0.26 0.09 0.12 0.02 0.00 0.00 175.30 176.33 1xxl s PHE 111 N 0.27 3.12 -0.29 -0.53 5.36 0.57 -1.38 117.98 125.10 1xxl s PHE 111 Ca -0.07 -0.28 -0.07 0.00 -0.96 0.00 0.00 56.93 55.55 1xxl s PHE 111 Cb -0.15 -2.24 0.00 0.00 -0.34 0.00 0.00 43.02 40.29 1xxl s PHE 111 CO 0.05 -0.27 0.09 -0.51 -1.46 0.00 0.00 175.22 173.12 1xxl s LEU 112 N 1.50 3.84 -0.22 6.12 1.43 0.56 -0.23 118.68 131.68 1xxl s LEU 112 Ca 0.06 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1xxl s LEU 112 Cb -0.15 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1xxl s LEU 112 CO 0.05 -0.17 -0.12 -0.22 0.23 0.00 0.00 176.35 176.11 1xxl s LEU 113 N 1.53 2.81 -0.16 1.79 2.96 -0.03 -1.02 118.68 126.56 1xxl s LEU 113 Ca 0.03 -0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1xxl s LEU 113 Cb -0.17 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1xxl s LEU 113 CO 0.03 -0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.21 1xxl s VAL 114 N 1.28 3.33 0.26 1.68 1.01 -0.06 -0.03 120.40 127.87 1xxl s VAL 114 Ca 0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1xxl s VAL 114 Cb -0.16 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1xxl s VAL 114 CO -0.08 0.49 0.69 -0.62 0.00 0.00 0.00 175.10 175.58 1xxl s ASP 115 N 0.70 -0.29 0.48 3.32 3.68 -1.08 0.18 116.67 123.65 1xxl s ASP 115 Ca -0.04 -0.54 -0.09 0.00 2.13 0.00 0.00 52.55 54.01 1xxl s ASP 115 Cb -0.15 0.70 -0.05 0.00 -1.45 0.00 0.00 42.92 41.97 1xxl s ASP 115 CO 0.02 -1.28 0.84 -1.38 0.13 0.00 0.00 175.17 173.50 1xxl s HIS 116 N -3.90 3.53 0.04 -5.34 0.00 -1.26 -1.95 115.29 106.42 1xxl s HIS 116 Ca 0.10 1.04 -0.01 0.00 -3.00 0.00 0.00 55.06 53.18 1xxl s HIS 116 Cb -0.05 -2.47 -0.03 0.00 -4.00 0.00 0.00 32.58 26.03 1xxl s HIS 116 CO 0.04 -0.29 -0.01 1.52 -1.00 0.00 0.00 174.74 175.00 1xxl s TYR 117 N -2.66 0.43 0.03 0.38 1.13 -0.02 -4.69 117.35 111.96 1xxl s TYR 117 Ca 0.51 -0.90 -0.27 0.00 -1.41 0.00 0.00 57.07 55.00 1xxl s TYR 117 Cb -0.10 -0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 40.39 1xxl s TYR 117 CO 0.40 -0.35 0.84 0.00 -2.51 0.00 0.00 175.55 173.94 1xxl s ALA 118 N -3.33 3.29 1.00 9.51 0.00 -0.52 -4.52 121.76 127.19 1xxl s ALA 118 Ca 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 1xxl s ALA 118 Cb 0.04 -3.12 0.16 0.00 0.00 0.00 0.00 23.12 20.20 1xxl s ALA 118 CO -0.08 -0.04 0.92 -2.30 0.00 0.00 0.00 175.76 174.26 1xxl n PRO 119 N 3.16 -1.02 -0.11 0.00 -0.02 -1.26 -4.08 135.00 131.68 1xxl n PRO 119 Ca 0.01 -0.25 -0.10 0.00 -2.02 0.00 0.00 63.50 61.14 1xxl n PRO 119 Cb 0.50 -2.20 0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1xxl n PRO 119 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xxl h GLU 120 N -2.06 0.87 -6.22 -0.52 4.39 -1.98 -3.37 114.58 105.69 1xxl h GLU 120 Ca -0.48 -0.38 -0.55 0.00 0.34 0.00 0.00 59.36 58.28 1xxl h GLU 120 Cb 1.29 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1xxl h GLU 120 CO 0.42 1.02 1.31 0.34 -1.16 0.00 0.00 179.01 180.94 1xxl s ASP 121 N -6.76 6.11 0.54 1.42 3.68 -1.26 -4.88 116.67 115.51 1xxl s ASP 121 Ca -0.10 2.31 0.22 0.00 2.13 0.00 0.00 52.55 57.10 1xxl s ASP 121 Cb 0.12 -2.52 1.40 0.00 -1.45 0.00 0.00 42.92 40.47 1xxl s ASP 121 CO 0.86 -1.38 2.10 1.55 0.13 0.00 0.00 175.17 178.43 1xxl h PRO 122 N 12.10 0.00 -0.40 4.34 0.13 -1.99 -0.62 132.00 145.56 1xxl h PRO 122 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1xxl h PRO 122 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1xxl h PRO 122 CO 0.95 0.00 -0.25 0.28 -0.23 0.00 0.00 178.00 178.75 1xxl h VAL 123 N 0.00 1.27 -0.04 1.56 2.07 -1.94 -0.22 116.25 118.95 1xxl h VAL 123 Ca 0.09 -1.39 -0.24 0.00 0.82 0.00 0.00 66.70 65.99 1xxl h VAL 123 Cb 0.40 1.23 0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1xxl h VAL 123 CO -0.00 0.46 -0.91 -0.07 0.02 0.00 0.00 177.57 177.07 1xxl h LEU 124 N 0.71 0.87 -0.22 2.57 3.38 -1.55 -1.18 115.31 119.89 1xxl h LEU 124 Ca 0.09 -0.71 0.05 0.00 0.09 0.00 0.00 57.88 57.40 1xxl h LEU 124 Cb 0.78 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1xxl h LEU 124 CO 0.06 1.46 -0.40 -0.78 0.09 0.00 0.00 178.44 178.87 1xxl h ASP 125 N 0.36 -1.29 -0.72 -0.43 -0.00 -1.16 -1.39 116.42 111.79 1xxl h ASP 125 Ca -0.10 0.18 0.04 0.00 -0.00 0.00 0.00 57.03 57.15 1xxl h ASP 125 Cb 1.57 0.54 -0.05 0.00 -0.00 0.00 0.00 39.33 41.39 1xxl h ASP 125 CO 0.18 -0.40 0.44 -0.08 -0.00 0.00 0.00 179.24 179.39 1xxl h GLU 126 N -0.42 0.82 -0.09 0.28 4.81 -1.03 -1.69 114.58 117.26 1xxl h GLU 126 Ca 0.10 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1xxl h GLU 126 Cb 0.60 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1xxl h GLU 126 CO -0.45 0.55 -0.14 0.35 -0.73 0.00 0.00 179.01 178.59 1xxl h PHE 127 N 0.85 -0.35 -0.07 0.92 3.04 -0.77 -0.89 116.94 119.66 1xxl h PHE 127 Ca 0.30 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 62.06 1xxl h PHE 127 Cb 0.07 0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1xxl h PHE 127 CO -0.05 -0.20 -0.80 -0.24 -2.02 0.00 0.00 178.31 175.00 1xxl h VAL 128 N -0.19 1.36 -0.58 1.41 3.04 -1.11 -1.98 116.25 118.20 1xxl h VAL 128 Ca 0.08 -2.18 -0.01 0.00 -1.01 0.00 0.00 66.70 63.58 1xxl h VAL 128 Cb 0.30 2.16 -0.03 0.00 -2.01 0.00 0.00 31.29 31.71 1xxl h VAL 128 CO -0.20 0.66 0.31 0.78 -1.01 0.00 0.00 177.57 178.11 1xxl h ASN 129 N 0.32 0.73 -0.49 3.17 2.35 -1.26 -1.96 115.58 118.45 1xxl h ASN 129 Ca -0.05 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1xxl h ASN 129 Cb 1.40 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 1xxl h ASN 129 CO 0.14 0.62 0.20 -0.74 -1.65 0.00 0.00 177.43 176.00 1xxl h HIS 130 N 0.78 0.74 -0.03 1.19 2.76 -1.12 -1.61 115.15 117.86 1xxl h HIS 130 Ca 0.20 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1xxl h HIS 130 Cb 0.06 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 1xxl h HIS 130 CO -0.01 0.61 -0.22 1.25 -1.30 0.00 0.00 177.93 178.26 1xxl h LEU 131 N 0.65 -0.66 -0.89 0.26 5.85 -1.20 -1.02 115.31 118.29 1xxl h LEU 131 Ca 0.16 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1xxl h LEU 131 Cb 0.18 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1xxl h LEU 131 CO -0.01 -0.29 -0.29 0.78 -0.34 0.00 0.00 178.44 178.29 1xxl h ASN 132 N -0.33 0.49 -0.30 1.25 2.35 -1.30 -2.82 115.58 114.90 1xxl h ASN 132 Ca 0.07 -0.18 -0.17 0.00 -0.55 0.00 0.00 56.30 55.47 1xxl h ASN 132 Cb 0.43 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1xxl h ASN 132 CO -0.23 0.76 -0.49 -0.09 -1.65 0.00 0.00 177.43 175.73 1xxl h ARG 133 N 0.42 0.87 -1.00 0.81 2.43 -1.06 -0.05 114.38 116.80 1xxl h ARG 133 Ca 0.06 -0.53 0.16 0.00 -0.81 0.00 0.00 59.98 58.86 1xxl h ARG 133 Cb 0.72 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.23 1xxl h ARG 133 CO 0.06 1.17 0.61 -0.07 -1.51 0.00 0.00 179.97 180.22 1xxl h LEU 134 N 0.66 0.83 0.01 3.80 3.38 -1.11 -2.75 115.31 120.12 1xxl h LEU 134 Ca 0.02 0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 1xxl h LEU 134 Cb 1.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1xxl h LEU 134 CO 0.11 0.35 -1.13 -0.09 0.09 0.00 0.00 178.44 177.78 1xxl h ARG 135 N 0.84 0.31 -2.80 1.13 1.12 -1.24 -3.44 114.38 110.31 1xxl h ARG 135 Ca 0.54 -0.45 -0.51 0.00 -1.11 0.00 0.00 59.98 58.46 1xxl h ARG 135 Cb 0.73 0.15 -0.40 0.00 -0.01 0.00 0.00 29.97 30.45 1xxl h ARG 135 CO -0.34 1.17 -0.77 0.34 -3.11 0.00 0.00 179.97 177.26 1xxl s ASP 136 N -7.12 3.30 0.32 -3.80 2.15 -0.05 -4.58 116.67 106.89 1xxl s ASP 136 Ca -0.04 -1.17 0.23 0.00 0.43 0.00 0.00 52.55 51.99 1xxl s ASP 136 Cb 0.08 -0.30 1.17 0.00 -0.30 0.00 0.00 42.92 43.56 1xxl s ASP 136 CO 0.88 -0.43 1.70 1.55 -0.17 0.00 0.00 175.17 178.70 1xxl h PRO 137 N 8.41 0.00 0.00 4.34 0.13 -1.82 -0.14 132.00 142.92 1xxl h PRO 137 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1xxl h PRO 137 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xxl h PRO 137 CO 0.42 0.00 0.00 1.03 -0.23 0.00 0.00 178.00 179.22 1xxl h SER 138 N 0.00 0.00 -2.71 1.44 0.87 -1.93 -3.45 113.55 107.77 1xxl h SER 138 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1xxl h SER 138 Cb 0.11 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1xxl h SER 138 CO 0.00 0.00 0.98 -2.28 -0.53 0.00 0.00 176.83 175.00 1xxl s HIS 139 N -3.64 2.48 -0.01 2.24 5.04 -0.07 -4.69 115.29 116.65 1xxl s HIS 139 Ca 0.01 0.38 -0.00 0.00 -1.54 0.00 0.00 55.06 53.91 1xxl s HIS 139 Cb 0.09 -3.93 -0.00 0.00 0.04 0.00 0.00 32.58 28.78 1xxl s HIS 139 CO 0.49 -3.70 -0.01 0.28 -2.34 0.00 0.00 174.74 169.46 1xxl n VAL 140 N 4.71 0.05 -3.64 0.89 0.31 -0.35 -4.87 118.33 115.42 1xxl n VAL 140 Ca 0.15 0.49 -0.08 0.00 -0.01 0.00 0.00 64.34 64.90 1xxl n VAL 140 Cb 0.41 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 1xxl n VAL 140 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1xxl s ARG 141 N -1.05 0.53 -0.28 5.55 3.52 -0.84 -5.05 118.95 121.33 1xxl s ARG 141 Ca -0.01 0.73 -0.17 0.00 -0.13 0.00 0.00 55.73 56.15 1xxl s ARG 141 Cb 0.00 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1xxl s ARG 141 CO 0.01 -0.08 0.49 -1.83 -0.81 0.00 0.00 175.30 173.08 1xxl s GLU 142 N 0.72 3.95 0.66 5.12 -1.05 -1.26 -4.26 118.70 122.58 1xxl s GLU 142 Ca -0.02 0.16 -0.13 0.00 -0.15 0.00 0.00 54.97 54.82 1xxl s GLU 142 Cb -0.05 -3.69 -0.01 0.00 -0.44 0.00 0.00 34.13 29.95 1xxl s GLU 142 CO -0.09 -0.41 1.07 -1.12 0.95 0.00 0.00 175.26 175.65 1xxl s SER 143 N 1.62 5.42 0.68 0.83 0.01 -1.26 -3.87 113.70 117.13 1xxl s SER 143 Ca 0.19 1.78 -0.10 0.00 1.31 0.00 0.00 55.95 59.13 1xxl s SER 143 Cb -0.16 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1xxl s SER 143 CO 0.10 -1.42 1.06 -0.94 0.41 0.00 0.00 173.24 172.45 1xxl s SER 144 N -3.16 5.54 0.28 2.44 1.04 -1.26 -1.43 113.70 117.15 1xxl s SER 144 Ca 0.62 1.09 0.01 0.00 0.48 0.00 0.00 55.95 58.14 1xxl s SER 144 Cb -0.16 -1.94 0.39 0.00 0.10 0.00 0.00 66.02 64.41 1xxl s SER 144 CO 0.46 -1.25 1.75 -0.07 0.98 0.00 0.00 173.24 175.10 1xxl h LEU 145 N -0.54 0.61 -0.19 2.42 3.38 -1.92 -2.12 115.31 116.95 1xxl h LEU 145 Ca -0.45 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.40 1xxl h LEU 145 Cb 1.25 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1xxl h LEU 145 CO 0.63 0.76 -0.19 0.28 0.09 0.00 0.00 178.44 180.01 1xxl h SER 146 N 0.57 -0.61 -0.96 -0.43 0.02 -1.94 -0.55 113.55 109.65 1xxl h SER 146 Ca 0.10 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1xxl h SER 146 Cb 0.55 0.29 -0.07 0.00 0.14 0.00 0.00 62.40 63.31 1xxl h SER 146 CO 0.03 -0.24 0.61 -0.33 -1.14 0.00 0.00 176.83 175.77 1xxl h GLU 147 N -0.22 1.06 -0.40 3.45 5.08 -1.87 -1.53 114.58 120.15 1xxl h GLU 147 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1xxl h GLU 147 Cb 0.39 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1xxl h GLU 147 CO -0.31 0.70 0.06 -1.49 -1.00 0.00 0.00 179.01 176.97 1xxl h TRP 148 N 1.10 0.71 -0.69 4.33 4.06 -1.02 -2.92 115.95 121.52 1xxl h TRP 148 Ca 0.42 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 61.30 1xxl h TRP 148 Cb 0.20 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.13 1xxl h TRP 148 CO -0.01 0.70 0.44 1.96 -3.56 0.00 0.00 178.44 177.97 1xxl h GLN 149 N 0.51 0.84 -1.13 0.49 4.20 -0.78 -1.10 115.11 118.15 1xxl h GLN 149 Ca 0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xxl h GLN 149 Cb 0.38 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1xxl h GLN 149 CO 0.01 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 1xxl n ALA 150 N -2.30 1.63 0.00 3.87 0.00 -0.60 -1.23 120.51 121.88 1xxl n ALA 150 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xxl n ALA 150 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1xxl n ALA 150 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xxl n PHE 152 N 0.66 0.00 -0.28 0.00 3.01 -0.42 -0.88 117.46 119.55 1xxl n PHE 152 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1xxl n PHE 152 Cb 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.69 1xxl n PHE 152 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1xxl h SER 153 N 0.00 1.05 0.08 4.37 0.87 -1.27 -0.38 113.55 118.26 1xxl h SER 153 Ca 0.00 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1xxl h SER 153 Cb 0.00 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1xxl h SER 153 CO 0.00 0.90 -0.01 0.00 -0.53 0.00 0.00 176.83 177.19 1xxl h ALA 154 N 1.26 1.16 -0.04 6.23 0.00 -1.26 -3.02 119.26 123.59 1xxl h ALA 154 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xxl h ALA 154 Cb 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xxl h ALA 154 CO -0.03 0.01 -0.02 0.09 0.00 0.00 0.00 179.25 179.30 1xxl n ASN 155 N -3.32 2.54 -3.35 0.00 3.02 -0.54 -4.98 115.26 108.63 1xxl n ASN 155 Ca -0.03 -3.12 -0.24 0.00 -0.03 0.00 0.00 54.58 51.16 1xxl n ASN 155 Cb 0.10 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1xxl n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxl n GLN 156 N -1.30 -5.14 -3.82 3.52 3.00 -0.85 -4.91 117.38 107.88 1xxl n GLN 156 Ca 0.17 0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 57.54 1xxl n GLN 156 Cb 0.68 -5.61 -0.11 0.00 0.00 0.00 0.00 30.24 25.21 1xxl n GLN 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1xxl s LEU 157 N -6.84 3.77 0.26 1.08 1.43 -0.27 -0.86 118.68 117.24 1xxl s LEU 157 Ca 0.43 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1xxl s LEU 157 Cb -0.21 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 1xxl s LEU 157 CO 0.54 0.06 1.22 0.00 0.23 0.00 0.00 176.35 178.40 1xxl s ALA 158 N 1.06 3.47 -0.12 4.21 0.00 0.34 -3.87 121.76 126.86 1xxl s ALA 158 Ca 0.05 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 1xxl s ALA 158 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1xxl s ALA 158 CO 0.04 -0.42 -0.05 -0.47 0.00 0.00 0.00 175.76 174.86 1xxl s TYR 159 N -0.66 2.99 -0.04 0.00 6.14 -1.26 -1.36 117.35 123.17 1xxl s TYR 159 Ca 0.50 -0.18 -0.01 0.00 0.64 0.00 0.00 57.07 58.02 1xxl s TYR 159 Cb -0.35 -1.85 0.03 0.00 0.42 0.00 0.00 41.96 40.21 1xxl s TYR 159 CO 0.43 0.12 0.07 -1.14 0.64 0.00 0.00 175.55 175.67 1xxl s GLN 160 N -0.13 -0.00 -0.44 4.97 0.74 -0.34 -5.01 119.66 119.45 1xxl s GLN 160 Ca 0.02 0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.42 1xxl s GLN 160 Cb -0.13 -0.26 0.02 0.00 1.10 0.00 0.00 33.01 33.74 1xxl s GLN 160 CO 0.03 -0.19 1.20 0.34 -0.55 0.00 0.00 175.29 176.11 1xxl s ASP 161 N 1.28 6.61 -0.10 6.67 -1.08 -1.26 -0.56 116.67 128.22 1xxl s ASP 161 Ca -0.07 0.64 -0.22 0.00 -0.52 0.00 0.00 52.55 52.38 1xxl s ASP 161 Cb -0.12 -2.55 -0.28 0.00 -1.46 0.00 0.00 42.92 38.51 1xxl s ASP 161 CO -0.04 -1.24 0.70 0.40 0.52 0.00 0.00 175.17 175.50 1xxl h ILE 162 N 6.21 1.39 -1.90 4.11 1.08 -1.41 -3.48 117.51 123.51 1xxl h ILE 162 Ca -0.24 -2.41 -0.02 0.00 -0.39 0.00 0.00 64.86 61.80 1xxl h ILE 162 Cb 1.07 3.01 -0.21 0.00 -3.07 0.00 0.00 36.82 37.62 1xxl h ILE 162 CO 1.11 0.64 0.23 -1.58 -0.69 0.00 0.00 178.15 177.86 1xxl s GLN 163 N -2.38 0.83 -0.02 2.37 2.00 -1.18 -5.00 119.66 116.28 1xxl s GLN 163 Ca -0.18 0.64 0.06 0.00 -2.00 0.00 0.00 55.36 53.87 1xxl s GLN 163 Cb 0.01 0.40 -0.03 0.00 0.80 0.00 0.00 33.01 34.20 1xxl s GLN 163 CO 0.75 -0.17 -0.18 0.15 -0.50 0.00 0.00 175.29 175.34 1xxl s LYS 164 N -0.25 2.31 0.09 1.67 1.02 -1.26 -0.95 119.74 122.36 1xxl s LYS 164 Ca -0.03 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 1xxl s LYS 164 Cb -0.03 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1xxl s LYS 164 CO 0.03 0.59 0.32 1.67 -0.92 0.00 0.00 175.35 177.03 1xxl s TRP 165 N -0.73 -0.08 -0.14 3.18 -2.14 -0.19 -4.99 118.94 113.85 1xxl s TRP 165 Ca 0.12 -0.20 -0.28 0.00 2.66 0.00 0.00 56.10 58.40 1xxl s TRP 165 Cb -0.10 0.12 -0.01 0.00 -3.10 0.00 0.00 33.47 30.38 1xxl s TRP 165 CO 0.01 -0.59 0.97 -0.80 -2.66 0.00 0.00 176.95 173.87 1xxl s ASN 166 N -2.56 7.15 -0.42 -2.66 0.01 -1.26 -0.77 114.94 114.43 1xxl s ASN 166 Ca 0.01 1.41 -0.19 0.00 -0.71 0.00 0.00 52.86 53.38 1xxl s ASN 166 Cb 0.02 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1xxl s ASN 166 CO -0.09 -0.47 0.57 -0.22 -1.51 0.00 0.00 177.10 175.39 1xxl s LEU 167 N 2.22 4.57 0.09 0.60 2.96 0.52 -4.92 118.68 124.71 1xxl s LEU 167 Ca 0.45 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 1xxl s LEU 167 Cb -0.17 -2.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.84 1xxl s LEU 167 CO 0.15 -0.68 1.18 -2.16 -1.32 0.00 0.00 176.35 173.51 1xxl s PRO 168 N 2.57 4.47 -0.14 0.98 0.04 -1.26 -1.20 135.00 140.46 1xxl s PRO 168 Ca 0.19 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1xxl s PRO 168 Cb -0.15 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1xxl s PRO 168 CO 0.17 -0.18 -0.20 0.42 0.04 0.00 0.00 177.00 177.24 1xxl s ILE 169 N 0.76 1.94 -0.33 0.56 1.01 0.48 -4.97 121.20 120.65 1xxl s ILE 169 Ca 0.57 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1xxl s ILE 169 Cb -0.29 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1xxl s ILE 169 CO 0.31 0.53 0.54 -1.10 0.00 0.00 0.00 174.94 175.22 1xxl s GLN 170 N 0.87 3.73 0.11 2.79 -1.52 -1.26 -2.20 119.66 122.19 1xxl s GLN 170 Ca -0.06 -0.01 -0.25 0.00 -1.95 0.00 0.00 55.36 53.09 1xxl s GLN 170 Cb -0.15 -3.78 -0.08 0.00 -0.22 0.00 0.00 33.01 28.78 1xxl s GLN 170 CO -0.02 -0.60 1.67 -0.92 -0.25 0.00 0.00 175.29 175.17 1xxl h TYR 171 N 8.37 -0.41 -0.63 0.91 5.03 -1.63 -1.58 116.97 127.02 1xxl h TYR 171 Ca -0.28 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.05 1xxl h TYR 171 Cb 1.12 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 39.55 1xxl h TYR 171 CO 0.74 -0.24 0.41 -0.44 -1.32 0.00 0.00 178.16 177.31 1xxl h ASP 172 N -0.28 0.74 -0.50 -2.11 3.32 -1.87 0.06 116.42 115.78 1xxl h ASP 172 Ca 0.04 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1xxl h ASP 172 Cb 0.33 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1xxl h ASP 172 CO -0.13 0.54 0.22 -1.28 -1.72 0.00 0.00 179.24 176.87 1xxl h SER 173 N 0.86 0.67 -0.35 6.45 0.87 -1.93 -2.15 113.55 117.96 1xxl h SER 173 Ca 0.23 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1xxl h SER 173 Cb -0.08 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1xxl h SER 173 CO -0.05 0.63 0.20 -0.25 -0.53 0.00 0.00 176.83 176.83 1xxl h TRP 174 N 0.66 0.47 0.00 2.24 7.01 -0.37 -0.71 115.95 125.25 1xxl h TRP 174 Ca 0.17 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1xxl h TRP 174 Cb 0.16 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1xxl h TRP 174 CO -0.00 0.36 -0.06 0.82 -2.79 0.00 0.00 178.44 176.76 1xxl h ILE 175 N 0.44 0.83 0.08 2.65 1.08 -0.94 -1.25 117.51 120.40 1xxl h ILE 175 Ca 0.12 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.61 1xxl h ILE 175 Cb 0.04 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 1xxl h ILE 175 CO -0.02 0.00 -0.51 0.11 -0.69 0.00 0.00 178.15 177.04 1xxl h LYS 176 N -0.12 -0.69 -0.24 2.37 1.57 -1.22 -1.67 116.57 116.57 1xxl h LYS 176 Ca 0.02 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1xxl h LYS 176 Cb 0.15 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1xxl h LYS 176 CO -0.06 -0.46 0.20 0.00 -0.57 0.00 0.00 179.45 178.56 1xxl h ARG 177 N -0.71 0.00 0.00 3.15 3.08 -1.12 -1.45 114.38 117.33 1xxl h ARG 177 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xxl h ARG 177 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1xxl h ARG 177 CO -0.31 0.00 -0.15 0.78 -1.07 0.00 0.00 179.97 179.22 1xxl h GLY 178 N 0.00 0.00 -1.75 0.04 0.00 -0.28 -3.47 103.07 97.62 1xxl h GLY 178 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.13 1xxl h GLY 178 CO -0.00 0.00 -0.36 0.61 0.00 0.00 0.00 176.54 176.79 1xxl n GLY 179 N 0.26 0.32 3.68 4.60 0.00 -0.55 -4.90 105.19 108.60 1xxl n GLY 179 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1xxl n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxl s THR 180 N -2.71 3.66 0.82 2.61 2.01 -1.14 -4.98 115.64 115.90 1xxl s THR 180 Ca 0.00 1.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.91 1xxl s THR 180 Cb 0.00 -3.66 0.09 0.00 0.01 0.00 0.00 72.50 68.94 1xxl s THR 180 CO 0.00 -0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 172.88 1xxl s PRO 181 N 2.62 1.80 0.30 4.92 0.04 -1.26 -4.76 135.00 138.65 1xxl s PRO 181 Ca 0.65 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1xxl s PRO 181 Cb -0.32 -1.83 0.44 0.00 0.04 0.00 0.00 34.50 32.83 1xxl s PRO 181 CO 0.27 -2.02 1.94 0.00 0.04 0.00 0.00 177.00 177.23 1xxl h ALA 182 N -1.26 1.38 -0.61 8.56 0.00 -1.98 -0.47 119.26 124.88 1xxl h ALA 182 Ca -0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1xxl h ALA 182 Cb 1.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1xxl h ALA 182 CO 0.48 0.54 0.27 0.38 0.00 0.00 0.00 179.25 180.92 1xxl h ASP 183 N 1.06 0.82 -0.12 0.00 3.04 -2.00 -1.00 116.42 118.21 1xxl h ASP 183 Ca 0.28 -0.15 -0.16 0.00 -3.24 0.00 0.00 57.03 53.76 1xxl h ASP 183 Cb -0.05 -0.21 -0.01 0.00 -1.04 0.00 0.00 39.33 38.02 1xxl h ASP 183 CO -0.05 0.74 -0.49 0.03 -2.04 0.00 0.00 179.24 177.43 1xxl h ARG 184 N 0.84 0.69 -0.84 4.15 2.47 -1.83 -3.02 114.38 116.84 1xxl h ARG 184 Ca 0.21 -0.41 0.01 0.00 -1.26 0.00 0.00 59.98 58.53 1xxl h ARG 184 Cb 0.16 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 1xxl h ARG 184 CO -0.02 1.02 0.55 1.49 0.56 0.00 0.00 179.97 183.58 1xxl h GLU 185 N 0.55 1.11 -0.87 0.04 4.81 -0.86 -0.93 114.58 118.42 1xxl h GLU 185 Ca 0.03 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xxl h GLU 185 Cb 1.05 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 1xxl h GLU 185 CO 0.10 0.74 0.57 0.87 -0.73 0.00 0.00 179.01 180.56 1xxl h LYS 186 N 1.15 1.10 -0.61 1.92 1.79 -1.11 -0.48 116.57 120.32 1xxl h LYS 186 Ca 0.31 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.62 1xxl h LYS 186 Cb -0.13 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.25 1xxl h LYS 186 CO -0.07 0.73 0.03 1.96 -1.08 0.00 0.00 179.45 181.02 1xxl h GLN 187 N 1.13 1.04 -0.42 3.15 4.20 -1.31 -1.43 115.11 121.47 1xxl h GLN 187 Ca 0.33 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1xxl h GLN 187 Cb -0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1xxl h GLN 187 CO -0.10 0.99 0.24 0.82 -0.67 0.00 0.00 178.83 180.12 1xxl h ILE 188 N 0.96 1.14 -0.09 2.54 2.04 -0.72 -0.32 117.51 123.06 1xxl h ILE 188 Ca 0.18 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1xxl h ILE 188 Cb 0.51 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xxl h ILE 188 CO 0.02 0.15 -0.01 0.40 0.00 0.00 0.00 178.15 178.71 1xxl h ILE 189 N 0.54 0.93 -0.89 -0.67 2.04 -0.88 -0.74 117.51 117.83 1xxl h ILE 189 Ca 0.15 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1xxl h ILE 189 Cb 0.03 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1xxl h ILE 189 CO -0.03 0.00 0.58 0.74 0.00 0.00 0.00 178.15 179.45 1xxl h THR 190 N 0.02 1.15 -0.26 -0.27 2.02 -1.15 -0.93 112.91 113.50 1xxl h THR 190 Ca 0.04 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1xxl h THR 190 Cb 0.06 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1xxl h THR 190 CO -0.08 0.21 0.16 -0.74 0.37 0.00 0.00 175.52 175.43 1xxl h HIS 191 N 1.13 0.35 -0.48 3.16 6.17 -0.37 -1.40 115.15 123.71 1xxl h HIS 191 Ca 0.35 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.32 1xxl h HIS 191 Cb -0.01 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 1xxl h HIS 191 CO -0.02 0.27 -0.14 -0.07 0.71 0.00 0.00 177.93 178.69 1xxl h LEU 192 N 0.33 0.90 -0.84 0.26 3.38 -0.98 -2.79 115.31 115.57 1xxl h LEU 192 Ca 0.09 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1xxl h LEU 192 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xxl h LEU 192 CO -0.02 1.04 -0.49 0.78 0.09 0.00 0.00 178.44 179.85 1xxl h ASN 193 N 0.80 0.00 -0.67 -0.43 2.35 -1.05 -3.04 115.58 113.53 1xxl h ASN 193 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1xxl h ASN 193 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1xxl h ASN 193 CO 0.05 0.49 0.00 1.41 -1.65 0.00 0.00 177.43 177.73 1xxl n HIS 194 N -3.65 1.41 -1.79 1.19 8.25 -0.54 -5.00 115.22 115.09 1xxl n HIS 194 Ca -0.01 -0.59 -0.41 0.00 -0.26 0.00 0.00 57.72 56.45 1xxl n HIS 194 Cb 0.56 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1xxl n HIS 194 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxl s ALA 195 N -1.69 3.53 1.07 -1.41 0.00 -1.06 -4.99 121.76 117.21 1xxl s ALA 195 Ca 0.51 1.58 -0.14 0.00 0.00 0.00 0.00 51.96 53.91 1xxl s ALA 195 Cb 0.32 -3.61 0.17 0.00 0.00 0.00 0.00 23.12 19.99 1xxl s ALA 195 CO 0.27 -1.10 0.68 -1.13 0.00 0.00 0.00 175.76 174.47 1xxl n SER 196 N 0.35 -1.52 -0.24 0.00 3.41 -1.26 -4.74 113.62 109.61 1xxl n SER 196 Ca 0.02 0.07 -0.03 0.00 -0.26 0.00 0.00 58.87 58.66 1xxl n SER 196 Cb 0.39 -1.22 0.14 0.00 -0.26 0.00 0.00 64.21 63.27 1xxl n SER 196 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xxl h ASP 197 N -2.16 0.97 -0.48 4.04 5.19 -1.99 -1.28 116.42 120.71 1xxl h ASP 197 Ca -0.52 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 55.74 1xxl h ASP 197 Cb 1.32 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 1xxl h ASP 197 CO 0.42 0.83 0.17 -0.33 -3.12 0.00 0.00 179.24 177.21 1xxl h GLU 198 N 1.06 0.74 -0.53 3.56 3.07 -1.99 -1.54 114.58 118.95 1xxl h GLU 198 Ca 0.26 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1xxl h GLU 198 Cb 0.12 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1xxl h GLU 198 CO -0.03 0.68 0.09 0.00 -1.40 0.00 0.00 179.01 178.35 1xxl h ALA 199 N 1.02 0.70 -0.73 3.43 0.00 -1.84 0.17 119.26 122.02 1xxl h ALA 199 Ca 0.16 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xxl h ALA 199 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1xxl h ALA 199 CO -0.01 0.43 0.46 0.00 0.00 0.00 0.00 179.25 180.13 1xxl h ARG 200 N 0.76 0.87 0.31 0.00 3.08 -1.14 0.15 114.38 118.41 1xxl h ARG 200 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1xxl h ARG 200 Cb 0.39 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1xxl h ARG 200 CO 0.01 0.58 -0.15 0.22 -1.07 0.00 0.00 179.97 179.56 1xxl h ASP 201 N 0.90 -0.35 -0.95 7.04 3.58 -1.16 -1.96 116.42 123.53 1xxl h ASP 201 Ca 0.29 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1xxl h ASP 201 Cb 0.01 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 1xxl h ASP 201 CO -0.11 0.04 0.63 0.74 -2.88 0.00 0.00 179.24 177.66 1xxl h THR 202 N -0.80 1.22 -0.48 2.25 2.02 -0.82 -2.81 112.91 113.49 1xxl h THR 202 Ca -0.04 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1xxl h THR 202 Cb 0.51 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1xxl h THR 202 CO 0.07 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.68 1xxl n PHE 203 N -4.44 1.31 -4.06 3.16 3.72 0.51 -4.89 117.46 112.77 1xxl n PHE 203 Ca 0.11 -0.70 -0.30 0.00 -0.05 0.00 0.00 57.45 56.51 1xxl n PHE 203 Cb 0.03 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 1xxl n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xxl s ILE 205 N -4.00 4.33 -0.13 0.00 1.01 -0.80 -4.01 121.20 117.60 1xxl s ILE 205 Ca 0.11 1.63 0.01 0.00 0.00 0.00 0.00 60.65 62.40 1xxl s ILE 205 Cb -0.05 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 1xxl s ILE 205 CO 0.93 -0.07 -0.17 -0.89 0.00 0.00 0.00 174.94 174.74 1xxl s THR 206 N 2.79 2.58 0.11 2.92 2.01 -0.04 -4.98 115.64 121.02 1xxl s THR 206 Ca 0.54 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.80 1xxl s THR 206 Cb -0.22 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1xxl s THR 206 CO 0.18 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.69 1xxl s LEU 207 N 0.57 2.33 1.06 4.42 1.43 -1.26 -0.52 118.68 126.71 1xxl s LEU 207 Ca -0.10 -0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 1xxl s LEU 207 Cb -0.16 -0.78 0.22 0.00 0.03 0.00 0.00 46.19 45.50 1xxl s LEU 207 CO 0.04 -0.00 1.08 0.20 0.23 0.00 0.00 176.35 177.89 1xxl s ASN 208 N -2.09 2.09 0.30 2.29 0.01 0.34 -4.88 114.94 113.00 1xxl s ASN 208 Ca 0.07 1.19 -0.01 0.00 -0.71 0.00 0.00 52.86 53.40 1xxl s ASN 208 Cb -0.09 -1.86 0.46 0.00 0.41 0.00 0.00 41.25 40.18 1xxl s ASN 208 CO 0.04 -3.47 1.96 1.56 -1.51 0.00 0.00 177.10 175.69 1xxl h GLN 209 N -2.12 1.07 -0.08 -0.60 7.50 -2.02 -2.30 115.11 116.56 1xxl h GLN 209 Ca -0.56 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 58.52 1xxl h GLN 209 Cb 1.33 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1xxl h GLN 209 CO 0.55 0.71 0.00 0.27 -1.50 0.00 0.00 178.83 178.86 1xxl n ASN 210 N -4.42 0.42 0.00 1.46 2.04 -1.26 -4.89 115.26 108.60 1xxl n ASN 210 Ca 0.10 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.24 1xxl n ASN 210 Cb 0.06 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.26 1xxl n ASN 210 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xxl n GLY 211 N 0.63 0.75 3.67 4.83 0.00 -0.86 -5.03 105.19 109.18 1xxl n GLY 211 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1xxl n GLY 211 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xxl s GLN 212 N -0.19 4.33 0.44 1.61 2.00 -1.26 -4.79 119.66 121.79 1xxl s GLN 212 Ca 0.00 1.47 -0.24 0.00 -2.00 0.00 0.00 55.36 54.59 1xxl s GLN 212 Cb 0.00 -3.61 -0.08 0.00 0.80 0.00 0.00 33.01 30.12 1xxl s GLN 212 CO 0.00 -0.50 1.27 -2.14 -0.50 0.00 0.00 175.29 173.42 1xxl s PRO 213 N 2.67 3.79 -0.13 1.67 0.02 -1.26 -0.50 135.00 141.26 1xxl s PRO 213 Ca 0.49 2.05 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 1xxl s PRO 213 Cb -0.19 -2.58 -0.06 0.00 0.02 0.00 0.00 34.50 31.69 1xxl s PRO 213 CO 0.14 -0.61 -0.18 -0.89 -0.33 0.00 0.00 177.00 175.14 1xxl n ILE 214 N -0.21 0.84 -3.49 2.83 5.41 0.32 -4.79 119.36 120.27 1xxl n ILE 214 Ca 0.06 -0.13 -0.11 0.00 1.00 0.00 0.00 62.75 63.56 1xxl n ILE 214 Cb 0.45 -1.72 -0.02 0.00 -0.71 0.00 0.00 39.64 37.63 1xxl n ILE 214 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xxl s SER 215 N -6.20 -0.49 0.28 4.38 1.04 -1.03 -1.63 113.70 110.04 1xxl s SER 215 Ca -0.19 -0.10 -0.16 0.00 0.48 0.00 0.00 55.95 55.99 1xxl s SER 215 Cb 0.07 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1xxl s SER 215 CO 0.24 -0.97 0.62 0.72 0.98 0.00 0.00 173.24 174.82 1xxl s PHE 216 N -3.77 0.14 -0.02 5.02 -0.12 -0.93 -0.86 117.98 117.43 1xxl s PHE 216 Ca 0.02 -0.58 0.07 0.00 -0.05 0.00 0.00 56.93 56.40 1xxl s PHE 216 Cb -0.01 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 1xxl s PHE 216 CO -0.11 -1.17 -0.25 0.00 -0.05 0.00 0.00 175.22 173.64 1xxl s LEU 218 N -0.61 4.12 -0.26 0.00 1.02 -0.34 -4.50 118.68 118.11 1xxl s LEU 218 Ca 0.10 0.40 -0.15 0.00 0.02 0.00 0.00 54.13 54.49 1xxl s LEU 218 Cb -0.10 -3.22 -0.04 0.00 0.02 0.00 0.00 46.19 42.85 1xxl s LEU 218 CO -0.01 -0.18 0.39 -0.54 0.02 0.00 0.00 176.35 176.03 1xxl s LYS 219 N -3.93 4.03 0.23 1.70 -0.14 -1.26 -0.35 119.74 120.01 1xxl s LYS 219 Ca 0.39 0.09 0.12 0.00 -1.36 0.00 0.00 55.97 55.21 1xxl s LYS 219 Cb -0.10 -3.65 -0.05 0.00 -1.68 0.00 0.00 37.83 32.36 1xxl s LYS 219 CO 0.33 -0.27 -0.22 0.00 -0.76 0.00 0.00 175.35 174.42 1xxl s ALA 220 N 2.05 2.61 -0.02 5.17 0.00 0.05 -0.84 121.76 130.78 1xxl s ALA 220 Ca 0.16 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 1xxl s ALA 220 Cb -0.16 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1xxl s ALA 220 CO 0.10 0.36 0.43 -1.50 0.00 0.00 0.00 175.76 175.14 1xxl s ILE 221 N -2.06 0.04 -0.25 0.00 2.07 -0.82 -1.02 121.20 119.16 1xxl s ILE 221 Ca 0.25 -0.33 -0.05 0.00 -1.41 0.00 0.00 60.65 59.11 1xxl s ILE 221 Cb -0.07 -0.76 -0.00 0.00 0.13 0.00 0.00 42.46 41.77 1xxl s ILE 221 CO 0.12 -0.18 -0.00 -0.22 -1.91 0.00 0.00 174.94 172.74 1xxl s LEU 222 N -1.35 3.22 -0.13 8.50 2.96 -0.12 -2.63 118.68 129.14 1xxl s LEU 222 Ca -0.12 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 1xxl s LEU 222 Cb -0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1xxl s LEU 222 CO 0.05 -0.08 0.05 -0.63 -1.32 0.00 0.00 176.35 174.42 1xxl s ILE 223 N 1.48 4.70 -0.16 6.68 1.01 0.95 -0.95 121.20 134.90 1xxl s ILE 223 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1xxl s ILE 223 Cb -0.15 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 1xxl s ILE 223 CO -0.01 0.56 -0.05 -1.58 0.00 0.00 0.00 174.94 173.85 1xxl s GLN 224 N -0.46 3.58 -0.10 2.79 0.74 0.27 -0.85 119.66 125.64 1xxl s GLN 224 Ca 0.09 -0.56 -0.03 0.00 0.05 0.00 0.00 55.36 54.92 1xxl s GLN 224 Cb -0.12 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 1xxl s GLN 224 CO 0.02 0.17 0.01 0.20 -0.55 0.00 0.00 175.29 175.14 1xxl s GLY 225 N 0.54 1.87 -0.12 2.59 0.00 0.68 -1.19 107.32 111.69 1xxl s GLY 225 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1xxl s GLY 225 CO 0.03 -0.51 -0.19 -0.42 0.00 0.00 0.00 173.10 172.01 1xxl s ILE 226 N -0.79 1.80 -0.29 0.90 1.01 -0.46 -0.31 121.20 123.05 1xxl s ILE 226 Ca 0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1xxl s ILE 226 Cb -0.12 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1xxl s ILE 226 CO 0.02 0.50 1.51 -0.75 0.00 0.00 0.00 174.94 176.22 1xxl s LYS 227 N 0.84 3.75 0.00 2.79 2.20 -0.95 -0.50 119.74 127.87 1xxl s LYS 227 Ca -0.08 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1xxl s LYS 227 Cb -0.15 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1xxl s LYS 227 CO -0.01 -1.35 0.00 0.54 -0.36 0.00 0.00 175.35 174.18 1xxl n ARG 228 N 7.71 0.66 -1.86 4.03 5.12 -0.04 -0.35 116.66 131.94 1xxl n ARG 228 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1xxl n ARG 228 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1xxl n ARG 228 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1xxl n GLU 229 N 0.00 0.00 0.00 5.56 1.02 -1.26 -4.89 120.64 121.07 1xxl n GLU 229 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xxl n GLU 229 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1xxl n GLU 229 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72