#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 0.01 -0.07 4.41 -0.00 -2.05 -2.88 115.15 114.57 1xxl h HIS -2 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1xxl h HIS -2 Cb 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 1xxl h HIS -2 CO 0.00 0.41 0.02 1.25 -0.00 0.00 0.00 177.93 179.61 1xxl h HIS -1 N 0.01 0.12 -0.65 2.45 6.17 -2.05 -0.27 115.15 120.92 1xxl h HIS -1 Ca -0.00 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 60.98 1xxl h HIS -1 Cb 0.72 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.59 1xxl h HIS -1 CO 0.00 0.28 0.06 0.66 0.71 0.00 0.00 177.93 179.64 1xxl h SER 0 N -0.08 1.07 -0.05 3.26 4.64 -1.98 -0.29 113.55 120.13 1xxl h SER 0 Ca 0.02 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1xxl h SER 0 Cb 0.22 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xxl h SER 0 CO -0.00 1.08 0.01 0.25 -0.87 0.00 0.00 176.83 177.30 1xxl h LEU 1 N 1.02 0.07 -0.93 5.97 5.85 -1.50 -2.86 115.31 122.94 1xxl h LEU 1 Ca 0.19 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xxl h LEU 1 Cb 0.50 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1xxl h LEU 1 CO 0.02 0.30 0.61 1.23 -0.34 0.00 0.00 178.44 180.26 1xxl h GLY 2 N -0.15 1.34 -1.21 3.75 0.00 -0.94 -1.23 103.07 104.62 1xxl h GLY 2 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1xxl h GLY 2 CO 0.00 0.43 0.00 1.04 0.00 0.00 0.00 176.54 178.01 1xxl n LEU 3 N -4.47 0.07 0.00 3.11 4.77 -0.13 -0.95 117.00 119.41 1xxl n LEU 3 Ca 0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1xxl n LEU 3 Cb 0.06 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1xxl n LEU 3 CO 0.35 0.02 0.00 -0.38 -1.33 0.00 0.00 177.39 176.05 1xxl n ILE 5 N 0.58 0.00 -0.19 -0.08 5.41 -0.47 -1.01 119.36 123.60 1xxl n ILE 5 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.75 1xxl n ILE 5 Cb 0.02 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.04 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 0.31 0.00 0.38 3.64 -1.30 -2.85 116.57 116.75 1xxl h LYS 6 Ca 0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1xxl h LYS 6 Cb 0.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1xxl h LYS 6 CO 0.00 0.21 -0.57 1.15 -2.27 0.00 0.00 179.45 177.96 1xxl h THR 7 N 0.32 1.21 0.00 1.00 2.02 -1.33 -3.28 112.91 112.86 1xxl h THR 7 Ca 0.29 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.34 1xxl h THR 7 Cb 0.39 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1xxl h THR 7 CO -0.33 0.56 -0.10 0.00 0.37 0.00 0.00 175.52 176.02 1xxl h ALA 8 N 1.43 1.15 -6.12 6.16 0.00 -1.75 -3.47 119.26 116.66 1xxl h ALA 8 Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.39 1xxl h ALA 8 Cb 1.16 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.98 1xxl h ALA 8 CO 0.07 0.13 -0.84 0.39 0.00 0.00 0.00 179.25 179.00 1xxl n GLU 9 N -3.42 -4.68 -1.68 0.00 -0.58 -1.24 -4.85 120.64 104.19 1xxl n GLU 9 Ca -0.01 0.60 -0.43 0.00 -0.42 0.00 0.00 57.16 56.90 1xxl n GLU 9 Cb 0.26 -5.11 -0.01 0.00 -0.57 0.00 0.00 31.44 26.01 1xxl n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xxl s ARG 11 N -1.60 1.29 0.56 0.00 0.52 -1.26 -5.00 118.95 113.46 1xxl s ARG 11 Ca 0.58 -1.33 0.25 0.00 -0.52 0.00 0.00 55.73 54.71 1xxl s ARG 11 Cb -0.60 -1.54 1.50 0.00 0.52 0.00 0.00 34.95 34.83 1xxl s ARG 11 CO 0.60 0.34 2.07 0.00 0.02 0.00 0.00 175.30 178.34 1xxl h ALA 12 N 3.64 2.07 -0.22 2.13 0.00 -1.92 -1.23 119.26 123.73 1xxl h ALA 12 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xxl h ALA 12 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xxl h ALA 12 CO 0.44 -0.36 0.00 -0.85 0.00 0.00 0.00 179.25 178.48 1xxl n GLU 13 N -4.12 1.87 -2.56 0.00 0.00 -1.26 -1.24 120.64 113.33 1xxl n GLU 13 Ca 0.03 -1.31 -0.37 0.00 0.00 0.00 0.00 57.16 55.51 1xxl n GLU 13 Cb 0.38 -1.41 -0.04 0.00 0.00 0.00 0.00 31.44 30.37 1xxl n GLU 13 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1xxl s HIS 14 N -1.72 3.41 -0.16 -1.84 3.76 -0.47 -4.69 115.29 113.58 1xxl s HIS 14 Ca 0.33 1.68 -0.03 0.00 -0.15 0.00 0.00 55.06 56.88 1xxl s HIS 14 Cb 0.18 -3.13 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1xxl s HIS 14 CO 0.26 -0.48 -0.05 1.03 -0.85 0.00 0.00 174.74 174.66 1xxl s ARG 15 N -2.17 3.61 -0.03 1.40 0.52 -1.26 -1.44 118.95 119.57 1xxl s ARG 15 Ca 0.53 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 55.27 1xxl s ARG 15 Cb -0.24 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 1xxl s ARG 15 CO 0.30 0.19 -0.25 0.08 0.02 0.00 0.00 175.30 175.64 1xxl s VAL 16 N 0.50 1.97 -0.12 3.52 1.01 0.07 -1.15 120.40 126.21 1xxl s VAL 16 Ca -0.04 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1xxl s VAL 16 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1xxl s VAL 16 CO 0.03 0.55 -0.15 -0.22 0.00 0.00 0.00 175.10 175.31 1xxl s LEU 17 N -0.44 2.60 -0.26 3.92 2.96 -0.41 -0.24 118.68 126.81 1xxl s LEU 17 Ca 0.05 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1xxl s LEU 17 Cb -0.11 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1xxl s LEU 17 CO 0.00 0.18 0.01 -0.62 -1.32 0.00 0.00 176.35 174.61 1xxl s ASP 18 N 0.23 4.69 -0.20 3.68 2.15 0.59 -0.31 116.67 127.49 1xxl s ASP 18 Ca -0.10 -0.71 -0.17 0.00 0.43 0.00 0.00 52.55 52.00 1xxl s ASP 18 Cb -0.16 -1.78 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 1xxl s ASP 18 CO 0.06 -0.14 0.44 -0.63 -0.17 0.00 0.00 175.17 174.73 1xxl s ILE 19 N 1.43 5.17 -0.28 4.11 1.01 -0.17 -0.81 121.20 131.66 1xxl s ILE 19 Ca 0.02 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 1xxl s ILE 19 Cb -0.16 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1xxl s ILE 19 CO -0.01 0.22 0.24 0.61 0.00 0.00 0.00 174.94 176.00 1xxl n GLY 20 N 3.94 0.31 0.20 6.18 0.00 0.16 -4.33 105.19 111.65 1xxl n GLY 20 Ca -0.07 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.11 1.00 -0.86 4.61 0.00 -1.29 -3.46 119.26 119.37 1xxl h ALA 21 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xxl h ALA 21 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xxl h ALA 21 CO 0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1xxl n GLY 22 N -0.18 3.33 0.05 0.00 0.00 -1.26 -1.49 105.19 105.65 1xxl n GLY 22 Ca 0.01 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 10.71 2.65 0.00 4.61 0.00 -1.26 -4.45 120.51 132.77 1xxl n ALA 23 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xxl n ALA 23 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.09 0.96 0.30 0.00 0.00 -0.55 -4.05 105.19 102.95 1xxl n GLY 24 Ca 0.21 0.00 -0.05 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 1.03 -0.22 1.61 3.86 -1.91 -1.36 115.15 118.16 1xxl h HIS 25 Ca 0.00 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1xxl h HIS 25 Cb 0.00 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1xxl h HIS 25 CO 0.00 0.74 0.07 1.15 0.86 0.00 0.00 177.93 180.75 1xxl h THR 26 N 1.03 1.18 -0.48 2.45 2.02 -1.95 -1.45 112.91 115.71 1xxl h THR 26 Ca 0.26 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1xxl h THR 26 Cb 0.06 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1xxl h THR 26 CO -0.04 0.19 0.17 0.00 0.37 0.00 0.00 175.52 176.21 1xxl h ALA 27 N 0.90 0.63 -0.74 6.16 0.00 -1.84 -2.46 119.26 121.91 1xxl h ALA 27 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xxl h ALA 27 Cb 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xxl h ALA 27 CO -0.00 0.26 0.38 -0.07 0.00 0.00 0.00 179.25 179.82 1xxl h LEU 28 N 0.64 0.94 -1.24 0.00 3.38 -1.17 -2.40 115.31 115.47 1xxl h LEU 28 Ca 0.16 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1xxl h LEU 28 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xxl h LEU 28 CO -0.01 0.78 -0.20 0.00 0.09 0.00 0.00 178.44 179.11 1xxl h ALA 29 N 1.37 1.36 0.00 1.53 0.00 -0.91 -2.71 119.26 119.91 1xxl h ALA 29 Ca 0.26 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1xxl h ALA 29 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xxl h ALA 29 CO -0.04 0.44 -0.43 0.74 0.00 0.00 0.00 179.25 179.96 1xxl h PHE 30 N 0.26 0.00 -0.75 0.00 -1.00 -1.15 -3.39 116.94 110.90 1xxl h PHE 30 Ca 0.05 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.90 1xxl h PHE 30 Cb 0.50 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 1xxl h PHE 30 CO 0.01 0.43 0.49 0.66 -1.61 0.00 0.00 178.31 178.30 1xxl h SER 31 N 0.00 0.68 0.28 2.17 4.64 -1.09 -1.40 113.55 118.83 1xxl h SER 31 Ca -0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1xxl h SER 31 Cb 1.22 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1xxl h SER 31 CO 0.06 0.43 -0.03 -0.65 -0.87 0.00 0.00 176.83 175.77 1xxl h PRO 32 N 0.77 0.00 0.00 4.77 0.11 -1.76 -3.27 132.00 132.62 1xxl h PRO 32 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1xxl h PRO 32 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1xxl h PRO 32 CO -0.11 0.03 -1.18 0.66 -0.21 0.00 0.00 178.00 177.19 1xxl n TYR 33 N -3.33 0.00 -4.39 0.65 4.01 -0.53 -5.02 117.16 108.55 1xxl n TYR 33 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1xxl n TYR 33 Cb 0.16 -0.14 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.89 0.83 0.14 -0.72 -7.23 -1.19 -3.45 120.40 105.90 1xxl s VAL 34 Ca 0.02 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1xxl s VAL 34 Cb 0.13 -2.69 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 1xxl s VAL 34 CO 0.75 0.00 1.46 -0.61 -0.31 0.00 0.00 175.10 176.38 1xxl h GLN 35 N 2.22 0.93 -1.87 4.82 4.15 0.01 -3.47 115.11 121.90 1xxl h GLN 35 Ca -0.39 -0.52 0.02 0.00 0.77 0.00 0.00 58.65 58.53 1xxl h GLN 35 Cb 1.25 0.03 -0.23 0.00 0.21 0.00 0.00 27.48 28.74 1xxl h GLN 35 CO 0.64 1.17 0.18 -2.00 -1.93 0.00 0.00 178.83 176.89 1xxl s GLU 36 N -4.33 0.68 -0.09 1.69 2.12 -1.15 -4.85 118.70 112.78 1xxl s GLU 36 Ca -0.11 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.23 1xxl s GLU 36 Cb 0.11 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1xxl s GLU 36 CO 0.89 -0.11 -0.22 0.00 -0.54 0.00 0.00 175.26 175.27 1xxl s ILE 38 N 0.15 2.57 -0.09 0.00 1.01 0.67 -1.19 121.20 124.32 1xxl s ILE 38 Ca -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1xxl s ILE 38 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1xxl s ILE 38 CO 0.07 0.53 -0.04 -0.83 0.00 0.00 0.00 174.94 174.67 1xxl s GLY 39 N 0.50 1.74 -0.07 6.18 0.00 0.39 -0.30 107.32 115.75 1xxl s GLY 39 Ca -0.12 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.79 1xxl s GLY 39 CO 0.05 -0.52 -0.20 -1.34 0.00 0.00 0.00 173.10 171.09 1xxl s VAL 40 N -0.59 2.50 0.04 1.40 -7.23 0.01 -0.96 120.40 115.57 1xxl s VAL 40 Ca 0.09 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1xxl s VAL 40 Cb -0.12 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1xxl s VAL 40 CO 0.02 0.57 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.68 1xxl s ASP 41 N -0.24 0.88 0.47 4.85 2.15 -0.76 -0.67 116.67 123.35 1xxl s ASP 41 Ca -0.00 -0.53 0.27 0.00 0.43 0.00 0.00 52.55 52.71 1xxl s ASP 41 Cb -0.13 0.03 0.96 0.00 -0.30 0.00 0.00 42.92 43.47 1xxl s ASP 41 CO 0.03 -0.19 1.83 0.00 -0.17 0.00 0.00 175.17 176.68 1xxl h ALA 42 N 4.55 0.99 -3.52 3.66 0.00 -1.86 -0.35 119.26 122.74 1xxl h ALA 42 Ca -0.36 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 53.77 1xxl h ALA 42 Cb 1.20 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 1xxl h ALA 42 CO 0.41 0.16 -0.69 0.95 0.00 0.00 0.00 179.25 180.08 1xxl s THR 43 N -3.56 3.70 0.27 0.00 -4.23 -1.26 -4.71 115.64 105.86 1xxl s THR 43 Ca 0.02 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1xxl s THR 43 Cb 0.09 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.66 1xxl s THR 43 CO 0.61 0.56 1.87 0.50 -0.54 0.00 0.00 174.62 177.63 1xxl h LYS 44 N 5.80 1.08 -0.74 3.99 3.64 -1.99 -2.71 116.57 125.65 1xxl h LYS 44 Ca -0.41 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xxl h LYS 44 Cb 1.18 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1xxl h LYS 44 CO 0.56 0.72 0.00 -0.85 -2.27 0.00 0.00 179.45 177.60 1xxl n GLU 45 N -4.53 0.06 0.00 1.90 0.00 -1.26 -1.66 120.64 115.15 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 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 30.48 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 0.65 0.00 -0.12 3.84 0.31 -1.02 -1.54 118.33 120.44 1xxl n VAL 47 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1xxl n VAL 47 Cb 0.02 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.75 -0.10 5.55 4.39 -1.62 -2.10 114.58 121.46 1xxl h GLU 48 Ca 0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1xxl h GLU 48 Cb 0.00 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1xxl h GLU 48 CO 0.00 0.93 0.06 0.28 -1.16 0.00 0.00 179.01 179.13 1xxl h VAL 49 N 0.55 1.03 -0.65 3.13 2.07 -1.55 -1.90 116.25 118.94 1xxl h VAL 49 Ca 0.08 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xxl h VAL 49 Cb 0.70 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1xxl h VAL 49 CO 0.05 0.03 0.31 0.00 0.02 0.00 0.00 177.57 177.99 1xxl h ALA 50 N 1.02 0.83 -0.66 1.67 0.00 -1.69 -1.46 119.26 118.97 1xxl h ALA 50 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1xxl h ALA 50 Cb -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1xxl h ALA 50 CO -0.01 0.39 0.12 0.77 0.00 0.00 0.00 179.25 180.53 1xxl h SER 51 N 0.89 1.03 0.41 0.00 0.02 -1.23 -1.30 113.55 113.38 1xxl h SER 51 Ca 0.22 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 1xxl h SER 51 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1xxl h SER 51 CO -0.03 1.01 -0.65 0.77 -1.14 0.00 0.00 176.83 176.80 1xxl h SER 52 N 1.02 0.25 -0.66 3.07 4.64 -1.16 -2.25 113.55 118.46 1xxl h SER 52 Ca 0.20 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1xxl h SER 52 Cb 0.41 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1xxl h SER 52 CO 0.01 0.83 0.13 0.15 -0.87 0.00 0.00 176.83 177.08 1xxl h PHE 53 N 0.16 1.14 -0.31 4.77 3.57 -0.94 0.40 116.94 125.74 1xxl h PHE 53 Ca -0.01 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1xxl h PHE 53 Cb 1.17 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1xxl h PHE 53 CO 0.02 0.95 0.17 0.00 -2.23 0.00 0.00 178.31 177.22 1xxl h ALA 54 N 1.11 0.40 -0.13 2.41 0.00 -1.14 -1.76 119.26 120.14 1xxl h ALA 54 Ca 0.21 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xxl h ALA 54 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1xxl h ALA 54 CO 0.01 -0.07 -0.04 0.37 0.00 0.00 0.00 179.25 179.52 1xxl h GLN 55 N 0.38 -0.01 -0.45 0.00 4.15 -1.20 0.14 115.11 118.13 1xxl h GLN 55 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.61 1xxl h GLN 55 Cb 0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1xxl h GLN 55 CO -0.02 -0.01 0.30 1.49 -1.93 0.00 0.00 178.83 178.67 1xxl h GLU 56 N -0.01 0.27 -0.01 1.69 4.81 -0.83 -0.70 114.58 119.79 1xxl h GLU 56 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1xxl h GLU 56 Cb 0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1xxl h GLU 56 CO -0.14 0.18 -0.23 1.63 -0.73 0.00 0.00 179.01 179.72 1xxl n LYS 57 N -4.47 1.23 -1.21 1.92 4.76 -0.67 -4.98 118.16 114.75 1xxl n LYS 57 Ca 0.06 -0.84 -0.07 0.00 -2.87 0.00 0.00 58.31 54.59 1xxl n LYS 57 Cb 0.32 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 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 1.32 0.93 3.72 0.72 0.00 0.39 -5.01 105.19 107.27 1xxl n GLY 58 Ca 0.13 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.24 4.93 -1.29 1.61 -7.23 -0.52 -4.95 120.40 110.72 1xxl s VAL 59 Ca 0.00 1.64 0.15 0.00 -1.81 0.00 0.00 61.98 61.95 1xxl s VAL 59 Cb 0.00 -4.13 -0.02 0.00 0.56 0.00 0.00 36.38 32.80 1xxl s VAL 59 CO 0.00 0.26 0.79 -0.62 -0.31 0.00 0.00 175.10 175.21 1xxl n GLU 60 N 3.57 1.82 -0.46 4.82 -0.58 -1.26 -4.57 120.64 123.98 1xxl n GLU 60 Ca 0.00 -0.69 0.06 0.00 -0.42 0.00 0.00 57.16 56.12 1xxl n GLU 60 Cb 0.51 -1.23 0.23 0.00 -0.57 0.00 0.00 31.44 30.38 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 -0.27 3.37 -4.16 1.62 6.94 -1.26 -4.94 115.26 116.56 1xxl n ASN 61 Ca 0.06 -3.18 -0.27 0.00 -0.02 0.00 0.00 54.58 51.17 1xxl n ASN 61 Cb 0.30 -0.55 -0.16 0.00 -2.36 0.00 0.00 39.78 37.02 1xxl n ASN 61 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1xxl s VAL 62 N -2.92 1.52 0.06 3.53 -7.23 -1.26 -1.18 120.40 112.91 1xxl s VAL 62 Ca 0.41 -0.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1xxl s VAL 62 Cb 0.35 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 1xxl s VAL 62 CO 0.06 0.43 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.05 1xxl s ARG 63 N -0.04 0.66 0.03 4.82 0.52 -0.34 -4.98 118.95 119.63 1xxl s ARG 63 Ca -0.03 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 1xxl s ARG 63 Cb -0.11 -0.54 -0.02 0.00 0.52 0.00 0.00 34.95 34.79 1xxl s ARG 63 CO 0.02 0.11 -0.22 -0.06 0.02 0.00 0.00 175.30 175.17 1xxl s PHE 64 N -1.32 1.97 0.10 -0.53 0.40 -1.26 -0.46 117.98 116.88 1xxl s PHE 64 Ca -0.06 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 1xxl s PHE 64 Cb -0.10 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 1xxl s PHE 64 CO 0.01 0.08 0.15 1.14 0.70 0.00 0.00 175.22 177.30 1xxl s GLN 65 N -1.08 0.88 0.12 0.44 -2.07 -0.13 -4.94 119.66 112.88 1xxl s GLN 65 Ca 0.09 -1.12 -0.28 0.00 -1.82 0.00 0.00 55.36 52.23 1xxl s GLN 65 Cb -0.09 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 32.08 1xxl s GLN 65 CO 0.01 -0.27 0.87 -1.14 -1.32 0.00 0.00 175.29 173.44 1xxl s GLN 66 N -3.92 4.64 0.00 9.60 0.74 -1.26 -1.83 119.66 127.63 1xxl s GLN 66 Ca 0.11 1.29 0.00 0.00 0.05 0.00 0.00 55.36 56.81 1xxl s GLN 66 Cb 0.05 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1xxl s GLN 66 CO -0.07 0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 1xxl n GLY 67 N 2.05 0.19 3.37 2.59 0.00 -0.14 -4.84 105.19 108.41 1xxl n GLY 67 Ca -0.01 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 2.11 0.50 2.61 -4.23 -1.26 -2.95 115.64 110.42 1xxl s THR 68 Ca 0.00 -1.79 0.17 0.00 -1.18 0.00 0.00 61.69 58.90 1xxl s THR 68 Cb 0.00 -1.91 0.26 0.00 1.34 0.00 0.00 72.50 72.19 1xxl s THR 68 CO 0.00 -0.03 2.11 0.00 -0.54 0.00 0.00 174.62 176.16 1xxl h ALA 69 N 3.70 1.84 0.00 3.99 0.00 -1.95 -2.48 119.26 124.35 1xxl h ALA 69 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xxl h ALA 69 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xxl h ALA 69 CO 0.42 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.67 1xxl h GLU 70 N 0.00 0.00 -1.86 0.00 3.07 -1.88 -3.36 114.58 110.55 1xxl h GLU 70 Ca -0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.45 1xxl h GLU 70 Cb 0.10 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 27.71 1xxl h GLU 70 CO 0.01 0.00 -0.77 0.45 -1.40 0.00 0.00 179.01 177.30 1xxl s SER 71 N -4.69 0.50 0.06 1.42 0.15 -0.94 -4.78 113.70 105.42 1xxl s SER 71 Ca 0.04 -2.34 -0.29 0.00 0.70 0.00 0.00 55.95 54.05 1xxl s SER 71 Cb 0.09 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1xxl s SER 71 CO 0.45 -0.15 0.92 -0.76 1.20 0.00 0.00 173.24 174.89 1xxl s LEU 72 N 0.60 4.44 0.00 3.45 1.43 -1.23 -4.37 118.68 123.01 1xxl s LEU 72 Ca 0.28 1.66 0.31 0.00 -1.03 0.00 0.00 54.13 55.36 1xxl s LEU 72 Cb -0.02 -3.50 1.78 0.00 0.03 0.00 0.00 46.19 44.49 1xxl s LEU 72 CO -0.11 -0.11 2.16 -0.81 0.23 0.00 0.00 176.35 177.70 1xxl n PRO 73 N 3.17 0.85 -2.62 1.29 -0.04 -1.26 -4.93 135.00 131.47 1xxl n PRO 73 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1xxl n PRO 73 Cb 0.50 -1.50 -0.01 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 3.53 0.82 0.54 0.08 -1.26 -5.04 117.98 114.53 1xxl s PHE 74 Ca 0.43 0.98 -0.11 0.00 0.12 0.00 0.00 56.93 58.35 1xxl s PHE 74 Cb 0.21 -2.42 0.09 0.00 -0.57 0.00 0.00 43.02 40.33 1xxl s PHE 74 CO 0.38 -0.26 1.12 -2.14 -0.10 0.00 0.00 175.22 174.22 1xxl s PRO 75 N -4.43 1.78 0.59 0.24 0.02 -1.26 -4.91 135.00 127.03 1xxl s PRO 75 Ca 0.50 1.35 -0.19 0.00 0.02 0.00 0.00 61.00 62.69 1xxl s PRO 75 Cb -0.10 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1xxl s PRO 75 CO 0.40 -2.03 0.92 -0.25 -0.33 0.00 0.00 177.00 175.71 1xxl n ASP 76 N -3.73 0.58 -3.85 2.53 8.00 -1.26 -3.69 116.55 115.13 1xxl n ASP 76 Ca 0.10 0.80 -0.26 0.00 0.71 0.00 0.00 54.79 56.15 1xxl n ASP 76 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1xxl n ASP 76 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xxl n ASP 77 N -0.60 -1.47 -0.00 -2.24 8.00 -0.23 -4.90 116.55 115.11 1xxl n ASP 77 Ca 0.13 -0.98 0.03 0.00 0.71 0.00 0.00 54.79 54.69 1xxl n ASP 77 Cb 0.47 -3.30 -0.04 0.00 -0.02 0.00 0.00 41.12 38.24 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 -2.93 1.04 -4.33 -2.24 3.41 0.64 -4.55 113.62 104.66 1xxl n SER 78 Ca -0.27 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.56 1xxl n SER 78 Cb 0.67 1.06 -0.15 0.00 -0.26 0.00 0.00 64.21 65.53 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 -1.74 2.24 0.02 7.33 0.08 -0.63 -4.88 117.98 120.40 1xxl s PHE 79 Ca 0.01 -0.41 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 1xxl s PHE 79 Cb 0.04 -1.36 -0.30 0.00 -0.57 0.00 0.00 43.02 40.83 1xxl s PHE 79 CO 0.24 0.10 0.93 -0.44 -0.10 0.00 0.00 175.22 175.95 1xxl h ASP 80 N 4.90 0.55 -3.78 1.36 5.19 -1.47 0.63 116.42 123.80 1xxl h ASP 80 Ca -0.45 -0.68 -0.31 0.00 -0.62 0.00 0.00 57.03 54.97 1xxl h ASP 80 Cb 1.14 -0.18 -0.29 0.00 0.18 0.00 0.00 39.33 40.18 1xxl h ASP 80 CO 0.44 1.55 -0.75 -0.63 -3.12 0.00 0.00 179.24 176.73 1xxl s ILE 81 N -2.62 0.28 -0.07 0.35 1.01 -1.12 -1.37 121.20 117.67 1xxl s ILE 81 Ca -0.09 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1xxl s ILE 81 Cb 0.06 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.28 1xxl s ILE 81 CO 0.88 0.10 -0.12 -0.63 0.00 0.00 0.00 174.94 175.17 1xxl s ILE 82 N 0.14 1.11 0.11 2.92 1.01 0.14 -1.28 121.20 125.35 1xxl s ILE 82 Ca -0.01 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.28 1xxl s ILE 82 Cb -0.04 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1xxl s ILE 82 CO -0.00 0.35 -0.25 0.42 0.00 0.00 0.00 174.94 175.46 1xxl s THR 83 N 0.69 2.36 -0.27 2.92 -4.23 0.57 -0.29 115.64 117.40 1xxl s THR 83 Ca -0.14 -1.63 -0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1xxl s THR 83 Cb -0.16 -2.03 0.15 0.00 1.34 0.00 0.00 72.50 71.80 1xxl s THR 83 CO 0.03 0.15 0.41 0.00 -0.54 0.00 0.00 174.62 174.68 1xxl s ARG 85 N 2.57 2.84 -1.70 0.00 3.52 -1.26 -0.90 118.95 124.02 1xxl s ARG 85 Ca 0.12 -0.97 -0.18 0.00 -0.13 0.00 0.00 55.73 54.57 1xxl s ARG 85 Cb -0.14 -2.95 0.16 0.00 -1.56 0.00 0.00 34.95 30.46 1xxl s ARG 85 CO -0.23 -0.39 0.76 0.66 -0.81 0.00 0.00 175.30 175.29 1xxl n TYR 86 N 4.66 -1.70 -0.01 5.12 4.01 0.95 -4.84 117.16 125.35 1xxl n TYR 86 Ca -0.17 0.79 -0.01 0.00 -0.16 0.00 0.00 57.90 58.35 1xxl n TYR 86 Cb 0.47 -2.92 -0.02 0.00 -0.31 0.00 0.00 39.34 36.56 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 -4.37 1.95 -0.09 -0.72 0.00 -1.26 -4.79 120.51 111.22 1xxl n ALA 87 Ca 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1xxl n ALA 87 Cb 0.50 0.22 0.46 0.00 0.00 0.00 0.00 19.45 20.63 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 0.10 1.90 0.00 0.00 0.00 -1.88 -1.00 119.26 118.37 1xxl h ALA 88 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xxl h ALA 88 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xxl h ALA 88 CO 0.00 -0.01 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 1xxl n HIS 89 N -4.48 0.47 1.06 0.00 1.44 -1.26 -1.32 115.22 111.14 1xxl n HIS 89 Ca 0.09 0.22 0.11 0.00 -2.01 0.00 0.00 57.72 56.14 1xxl n HIS 89 Cb 0.29 -0.86 0.08 0.00 0.12 0.00 0.00 29.99 29.62 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 -1.97 0.00 -2.06 -1.40 8.25 -0.38 -1.06 115.22 116.61 1xxl n HIS 90 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1xxl n HIS 90 Cb 0.08 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.59 3.04 0.08 4.41 0.08 -0.43 -4.74 117.98 117.83 1xxl s PHE 91 Ca 0.18 1.14 0.19 0.00 0.12 0.00 0.00 56.93 58.57 1xxl s PHE 91 Cb 0.18 -3.77 0.61 0.00 -0.57 0.00 0.00 43.02 39.47 1xxl s PHE 91 CO 0.61 -2.39 1.69 0.66 -0.10 0.00 0.00 175.22 175.69 1xxl h SER 92 N 4.65 0.00 -1.81 1.36 4.64 -1.93 -3.39 113.55 117.07 1xxl h SER 92 Ca -0.47 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.49 1xxl h SER 92 Cb 1.22 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.02 1xxl h SER 92 CO 0.75 0.36 -0.71 -0.62 -0.87 0.00 0.00 176.83 175.74 1xxl s ASP 93 N -6.37 0.56 0.34 4.97 -1.08 -1.26 -5.02 116.67 108.80 1xxl s ASP 93 Ca 0.01 -1.94 0.02 0.00 -0.52 0.00 0.00 52.55 50.13 1xxl s ASP 93 Cb 0.10 0.66 0.61 0.00 -1.46 0.00 0.00 42.92 42.83 1xxl s ASP 93 CO 0.68 -0.19 1.95 1.62 0.52 0.00 0.00 175.17 179.76 1xxl h VAL 94 N 4.92 1.18 -0.54 1.11 3.04 -1.91 -1.18 116.25 122.87 1xxl h VAL 94 Ca 0.11 -0.47 0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1xxl h VAL 94 Cb 1.04 0.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 1xxl h VAL 94 CO 0.20 0.20 0.35 0.03 -1.01 0.00 0.00 177.57 177.33 1xxl h ARG 95 N 0.75 0.68 -0.33 4.17 2.47 -1.97 -1.10 114.38 119.05 1xxl h ARG 95 Ca 0.19 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.76 1xxl h ARG 95 Cb 0.06 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1xxl h ARG 95 CO -0.03 0.45 -0.25 -0.22 0.56 0.00 0.00 179.97 180.48 1xxl h LYS 96 N 0.70 0.67 -0.17 0.04 1.63 -1.84 -2.77 116.57 114.83 1xxl h LYS 96 Ca 0.20 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1xxl h LYS 96 Cb -0.05 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 1xxl h LYS 96 CO -0.06 0.86 -0.05 0.00 -3.45 0.00 0.00 179.45 176.75 1xxl h ALA 97 N 1.14 0.10 -0.47 5.00 0.00 -0.59 -1.47 119.26 122.97 1xxl h ALA 97 Ca 0.08 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xxl h ALA 97 Cb 0.74 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1xxl h ALA 97 CO 0.06 -0.49 0.07 0.28 0.00 0.00 0.00 179.25 179.17 1xxl h VAL 98 N -0.01 1.22 -0.66 0.00 2.07 -1.23 0.10 116.25 117.74 1xxl h VAL 98 Ca 0.08 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1xxl h VAL 98 Cb 0.14 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1xxl h VAL 98 CO -0.18 0.31 0.30 -0.09 0.02 0.00 0.00 177.57 177.93 1xxl h ARG 99 N 0.71 0.96 -0.32 1.57 2.43 -1.21 -0.34 114.38 118.17 1xxl h ARG 99 Ca 0.15 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1xxl h ARG 99 Cb 0.34 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1xxl h ARG 99 CO 0.01 0.78 -0.14 0.93 -1.51 0.00 0.00 179.97 180.04 1xxl h GLU 100 N 0.92 0.67 -0.18 0.20 4.39 -0.58 -1.58 114.58 118.40 1xxl h GLU 100 Ca 0.22 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1xxl h GLU 100 Cb 0.15 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1xxl h GLU 100 CO -0.03 0.87 -0.10 0.28 -1.16 0.00 0.00 179.01 178.88 1xxl h VAL 101 N 0.44 0.70 -0.87 3.13 2.07 -0.68 -1.81 116.25 119.23 1xxl h VAL 101 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1xxl h VAL 101 Cb 0.66 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1xxl h VAL 101 CO 0.04 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.14 1xxl h ALA 102 N 1.08 1.26 -0.10 1.67 0.00 -0.98 -1.71 119.26 120.48 1xxl h ALA 102 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xxl h ALA 102 Cb 0.23 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xxl h ALA 102 CO -0.24 0.62 0.06 -0.09 0.00 0.00 0.00 179.25 179.61 1xxl h ARG 103 N 1.20 0.14 0.00 0.00 2.43 -0.79 -3.11 114.38 114.24 1xxl h ARG 103 Ca 0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1xxl h ARG 103 Cb -0.03 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1xxl h ARG 103 CO -0.06 0.14 -0.12 1.33 -1.51 0.00 0.00 179.97 179.76 1xxl n VAL 104 N -4.99 0.31 -2.43 0.20 0.24 -0.73 -1.07 118.33 109.86 1xxl n VAL 104 Ca -0.05 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 1xxl n VAL 104 Cb 0.05 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 1xxl n VAL 104 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xxl s LEU 105 N -3.84 4.47 0.62 1.34 2.96 -0.65 -0.26 118.68 123.31 1xxl s LEU 105 Ca 0.11 2.18 -0.17 0.00 -0.22 0.00 0.00 54.13 56.03 1xxl s LEU 105 Cb 0.15 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 1xxl s LEU 105 CO 0.60 -0.30 1.15 -0.54 -1.32 0.00 0.00 176.35 175.94 1xxl s LYS 106 N -0.39 2.91 0.17 1.98 1.02 0.21 -3.87 119.74 121.77 1xxl s LYS 106 Ca 0.51 1.62 -0.33 0.00 0.02 0.00 0.00 55.97 57.79 1xxl s LYS 106 Cb -0.31 -1.94 -0.16 0.00 -0.52 0.00 0.00 37.83 34.90 1xxl s LYS 106 CO 0.36 -1.21 1.20 1.04 -0.92 0.00 0.00 175.35 175.83 1xxl n GLN 107 N -1.93 1.22 -1.10 1.68 1.13 -1.26 0.00 117.38 117.12 1xxl n GLN 107 Ca 0.12 0.44 -0.04 0.00 -1.94 0.00 0.00 57.00 55.58 1xxl n GLN 107 Cb 0.51 -1.96 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 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 2.09 -5.59 -4.77 1.08 8.00 0.38 -4.97 116.55 112.77 1xxl n ASP 108 Ca 0.15 0.09 -0.30 0.00 0.71 0.00 0.00 54.79 55.44 1xxl n ASP 108 Cb 0.24 -3.41 0.11 0.00 -0.02 0.00 0.00 41.12 38.05 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 -2.15 1.62 -0.17 0.44 0.00 0.10 -4.70 107.32 102.45 1xxl s GLY 109 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1xxl s GLY 109 CO 0.00 0.29 -0.04 0.50 0.00 0.00 0.00 173.10 173.85 1xxl s ARG 110 N -5.08 3.59 -0.26 2.90 0.52 -0.47 -2.29 118.95 117.87 1xxl s ARG 110 Ca 0.62 -0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 55.19 1xxl s ARG 110 Cb -0.16 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1xxl s ARG 110 CO 0.55 0.13 0.12 0.12 0.02 0.00 0.00 175.30 176.23 1xxl s PHE 111 N 0.66 3.14 -0.31 -0.53 5.36 0.47 -0.68 117.98 126.10 1xxl s PHE 111 Ca -0.02 -0.19 -0.04 0.00 -0.96 0.00 0.00 56.93 55.72 1xxl s PHE 111 Cb -0.14 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1xxl s PHE 111 CO 0.02 -0.26 0.04 -0.51 -1.46 0.00 0.00 175.22 173.05 1xxl s LEU 112 N 1.62 4.04 -0.21 6.12 1.43 0.61 -0.25 118.68 132.03 1xxl s LEU 112 Ca 0.06 -1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1xxl s LEU 112 Cb -0.15 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1xxl s LEU 112 CO 0.06 -0.28 -0.13 -0.22 0.23 0.00 0.00 176.35 176.02 1xxl s LEU 113 N 1.33 2.68 -0.15 1.79 2.96 -0.07 -1.23 118.68 125.98 1xxl s LEU 113 Ca -0.03 -0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1xxl s LEU 113 Cb -0.19 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1xxl s LEU 113 CO 0.01 -0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.18 1xxl s VAL 114 N 1.31 3.17 0.25 1.68 1.01 -0.08 -0.47 120.40 127.27 1xxl s VAL 114 Ca 0.02 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 1xxl s VAL 114 Cb -0.15 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1xxl s VAL 114 CO -0.08 0.50 0.66 -0.62 0.00 0.00 0.00 175.10 175.56 1xxl s ASP 115 N 0.61 -0.29 0.45 3.32 3.68 -1.12 -0.03 116.67 123.29 1xxl s ASP 115 Ca -0.06 -0.53 -0.12 0.00 2.13 0.00 0.00 52.55 53.96 1xxl s ASP 115 Cb -0.15 0.68 -0.07 0.00 -1.45 0.00 0.00 42.92 41.93 1xxl s ASP 115 CO 0.03 -1.24 0.85 -1.38 0.13 0.00 0.00 175.17 173.56 1xxl s HIS 116 N -3.90 3.48 0.13 -5.34 0.00 -1.26 -1.85 115.29 106.54 1xxl s HIS 116 Ca 0.10 1.18 0.03 0.00 -3.00 0.00 0.00 55.06 53.37 1xxl s HIS 116 Cb -0.04 -2.56 -0.04 0.00 -4.00 0.00 0.00 32.58 25.94 1xxl s HIS 116 CO 0.03 -0.23 -0.07 1.52 -1.00 0.00 0.00 174.74 175.00 1xxl s TYR 117 N -2.51 1.06 0.03 0.38 1.13 0.57 -4.69 117.35 113.32 1xxl s TYR 117 Ca 0.54 -0.88 -0.27 0.00 -1.41 0.00 0.00 57.07 55.05 1xxl s TYR 117 Cb -0.10 -0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 40.12 1xxl s TYR 117 CO 0.33 -0.08 0.84 0.00 -2.51 0.00 0.00 175.55 174.13 1xxl s ALA 118 N -3.53 3.29 0.92 9.51 0.00 -0.76 -4.49 121.76 126.69 1xxl s ALA 118 Ca 0.15 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1xxl s ALA 118 Cb 0.05 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 20.16 1xxl s ALA 118 CO -0.02 -0.04 0.96 -2.30 0.00 0.00 0.00 175.76 174.36 1xxl n PRO 119 N 3.20 -0.37 -0.30 0.00 -0.02 -1.26 -4.10 135.00 132.15 1xxl n PRO 119 Ca 0.00 -0.05 -0.04 0.00 -2.02 0.00 0.00 63.50 61.40 1xxl n PRO 119 Cb 0.50 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.74 1.18 -6.24 -0.52 4.39 -1.98 -3.36 114.58 106.31 1xxl h GLU 120 Ca -0.43 -0.16 -0.55 0.00 0.34 0.00 0.00 59.36 58.55 1xxl h GLU 120 Cb 1.28 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1xxl h GLU 120 CO 0.40 0.90 1.29 0.34 -1.16 0.00 0.00 179.01 180.77 1xxl s ASP 121 N -6.32 6.18 0.53 1.42 3.68 -1.26 -4.87 116.67 116.03 1xxl s ASP 121 Ca -0.12 2.32 0.20 0.00 2.13 0.00 0.00 52.55 57.08 1xxl s ASP 121 Cb 0.16 -2.53 1.35 0.00 -1.45 0.00 0.00 42.92 40.46 1xxl s ASP 121 CO 0.83 -1.32 2.10 -0.65 0.13 0.00 0.00 175.17 176.25 1xxl h PRO 122 N 11.79 0.00 -0.08 4.34 0.11 -1.99 -0.36 132.00 145.81 1xxl h PRO 122 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1xxl h PRO 122 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1xxl h PRO 122 CO 0.95 0.00 -0.54 0.28 -0.21 0.00 0.00 178.00 178.48 1xxl h VAL 123 N 0.00 1.36 0.22 3.15 2.07 -1.94 -0.83 116.25 120.29 1xxl h VAL 123 Ca 0.09 -1.84 -0.32 0.00 0.82 0.00 0.00 66.70 65.45 1xxl h VAL 123 Cb 0.39 1.90 0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1xxl h VAL 123 CO -0.00 0.54 -1.42 -0.07 0.02 0.00 0.00 177.57 176.64 1xxl h LEU 124 N 0.18 0.77 -0.28 2.57 3.38 -1.56 -2.03 115.31 118.34 1xxl h LEU 124 Ca 0.00 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 57.22 1xxl h LEU 124 Cb 1.01 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1xxl h LEU 124 CO 0.08 1.64 -0.37 -0.78 0.09 0.00 0.00 178.44 179.10 1xxl h ASP 125 N 0.15 -1.19 -0.92 -0.43 -0.00 -1.04 -1.87 116.42 111.11 1xxl h ASP 125 Ca -0.23 0.18 -0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1xxl h ASP 125 Cb 2.12 0.52 -0.04 0.00 -0.00 0.00 0.00 39.33 41.92 1xxl h ASP 125 CO 0.26 -0.36 0.58 -0.08 -0.00 0.00 0.00 179.24 179.63 1xxl h GLU 126 N -0.36 1.24 -0.01 0.28 4.81 -1.20 -1.62 114.58 117.72 1xxl h GLU 126 Ca 0.13 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xxl h GLU 126 Cb 0.57 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1xxl h GLU 126 CO -0.47 0.85 0.01 0.35 -0.73 0.00 0.00 179.01 179.02 1xxl h PHE 127 N 1.27 0.02 -0.11 0.92 3.04 -0.91 -0.62 116.94 120.54 1xxl h PHE 127 Ca 0.33 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 62.10 1xxl h PHE 127 Cb -0.09 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 1xxl h PHE 127 CO 0.00 0.04 -0.71 -0.24 -2.02 0.00 0.00 178.31 175.39 1xxl h VAL 128 N -0.02 1.35 -0.55 1.41 3.04 -1.31 -0.85 116.25 119.32 1xxl h VAL 128 Ca 0.00 -2.04 -0.07 0.00 -1.01 0.00 0.00 66.70 63.58 1xxl h VAL 128 Cb 0.03 2.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 1xxl h VAL 128 CO -0.00 0.62 0.09 0.78 -1.01 0.00 0.00 177.57 178.05 1xxl h ASN 129 N 0.35 0.88 -0.34 3.17 2.35 -1.18 -1.80 115.58 119.01 1xxl h ASN 129 Ca -0.03 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 1xxl h ASN 129 Cb 1.29 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 1xxl h ASN 129 CO 0.13 0.92 0.17 -0.74 -1.65 0.00 0.00 177.43 176.26 1xxl h HIS 130 N 0.81 0.49 -0.32 1.19 2.76 -1.06 -0.62 115.15 118.39 1xxl h HIS 130 Ca 0.17 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1xxl h HIS 130 Cb 0.41 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1xxl h HIS 130 CO 0.03 0.41 0.06 1.25 -1.30 0.00 0.00 177.93 178.38 1xxl h LEU 131 N 0.42 0.00 -0.61 0.26 5.85 -0.96 -0.83 115.31 119.45 1xxl h LEU 131 Ca 0.12 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 1xxl h LEU 131 Cb 0.10 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1xxl h LEU 131 CO -0.02 0.04 -0.50 0.78 -0.34 0.00 0.00 178.44 178.40 1xxl h ASN 132 N 0.17 0.54 -0.01 1.25 2.35 -1.25 -3.01 115.58 115.62 1xxl h ASN 132 Ca 0.15 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 1xxl h ASN 132 Cb 0.17 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1xxl h ASN 132 CO -0.20 0.95 -0.31 -0.09 -1.65 0.00 0.00 177.43 176.13 1xxl h ARG 133 N 0.39 0.46 -0.81 0.81 2.43 -0.79 0.01 114.38 116.88 1xxl h ARG 133 Ca 0.02 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1xxl h ARG 133 Cb 1.02 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 1xxl h ARG 133 CO 0.09 0.72 0.47 -0.07 -1.51 0.00 0.00 179.97 179.67 1xxl h LEU 134 N 0.40 0.98 0.06 3.80 3.38 -1.03 -2.98 115.31 119.91 1xxl h LEU 134 Ca 0.05 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 1xxl h LEU 134 Cb 0.74 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1xxl h LEU 134 CO 0.06 0.77 -1.39 -0.09 0.09 0.00 0.00 178.44 177.87 1xxl h ARG 135 N 1.12 0.12 -3.02 1.13 1.12 -1.40 -3.43 114.38 110.02 1xxl h ARG 135 Ca 0.29 -0.20 -0.56 0.00 -1.11 0.00 0.00 59.98 58.39 1xxl h ARG 135 Cb -0.02 0.08 -0.40 0.00 -0.01 0.00 0.00 29.97 29.62 1xxl h ARG 135 CO -0.05 0.95 -0.78 0.34 -3.11 0.00 0.00 179.97 177.32 1xxl s ASP 136 N -6.71 3.61 0.00 -3.80 2.15 -0.03 -4.82 116.67 107.06 1xxl s ASP 136 Ca -0.05 -1.70 0.05 0.00 0.43 0.00 0.00 52.55 51.29 1xxl s ASP 136 Cb 0.08 -0.59 0.27 0.00 -0.30 0.00 0.00 42.92 42.38 1xxl s ASP 136 CO 0.84 -0.39 1.02 -2.65 -0.17 0.00 0.00 175.17 173.82 1xxl n PRO 137 N 4.73 0.07 0.24 4.34 -0.02 -1.22 -0.61 135.00 142.53 1xxl n PRO 137 Ca 0.00 0.25 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 1xxl n PRO 137 Cb 0.40 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.82 1xxl n PRO 137 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xxl h SER 138 N 0.00 0.00 -2.62 2.55 0.87 -1.93 -3.46 113.55 108.97 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 0.05 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1xxl h SER 138 CO 0.00 0.06 1.05 -2.28 -0.53 0.00 0.00 176.83 175.13 1xxl s HIS 139 N -3.47 2.45 -0.04 2.24 5.04 0.22 -4.69 115.29 117.04 1xxl s HIS 139 Ca 0.03 0.18 -0.04 0.00 -1.54 0.00 0.00 55.06 53.68 1xxl s HIS 139 Cb 0.08 -4.11 -0.01 0.00 0.04 0.00 0.00 32.58 28.57 1xxl s HIS 139 CO 0.61 -4.45 -0.08 0.28 -2.34 0.00 0.00 174.74 168.76 1xxl n VAL 140 N 4.49 0.39 -3.64 0.89 0.31 -0.22 -4.88 118.33 115.68 1xxl n VAL 140 Ca 0.17 0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 64.78 1xxl n VAL 140 Cb 0.38 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.57 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 -1.48 0.57 -0.30 5.55 3.52 -0.93 -5.06 118.95 120.81 1xxl s ARG 141 Ca -0.07 0.74 -0.14 0.00 -0.13 0.00 0.00 55.73 56.13 1xxl s ARG 141 Cb 0.01 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.62 1xxl s ARG 141 CO 0.10 -0.08 0.33 -1.83 -0.81 0.00 0.00 175.30 173.02 1xxl s GLU 142 N 0.54 3.80 0.68 5.12 -1.05 -1.26 -4.17 118.70 122.36 1xxl s GLU 142 Ca -0.00 -0.23 -0.13 0.00 -0.15 0.00 0.00 54.97 54.46 1xxl s GLU 142 Cb -0.05 -3.72 0.01 0.00 -0.44 0.00 0.00 34.13 29.93 1xxl s GLU 142 CO -0.07 -0.37 1.07 -1.12 0.95 0.00 0.00 175.26 175.72 1xxl s SER 143 N 1.70 5.26 0.74 0.83 0.01 -1.26 -3.90 113.70 117.08 1xxl s SER 143 Ca 0.12 1.76 -0.12 0.00 1.31 0.00 0.00 55.95 59.02 1xxl s SER 143 Cb -0.16 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1xxl s SER 143 CO 0.11 -1.52 1.12 -0.94 0.41 0.00 0.00 173.24 172.42 1xxl s SER 144 N -3.29 5.17 0.25 2.44 1.04 -1.26 -1.83 113.70 116.21 1xxl s SER 144 Ca 0.61 1.04 -0.03 0.00 0.48 0.00 0.00 55.95 58.05 1xxl s SER 144 Cb -0.16 -1.75 0.29 0.00 0.10 0.00 0.00 66.02 64.50 1xxl s SER 144 CO 0.49 -1.51 1.73 -0.07 0.98 0.00 0.00 173.24 174.86 1xxl h LEU 145 N -0.78 0.80 -0.39 2.42 3.38 -1.93 -2.08 115.31 116.74 1xxl h LEU 145 Ca -0.45 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.40 1xxl h LEU 145 Cb 1.27 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1xxl h LEU 145 CO 0.64 0.87 -0.19 0.28 0.09 0.00 0.00 178.44 180.14 1xxl h SER 146 N 0.77 -0.63 -0.66 -0.43 0.02 -1.94 -0.08 113.55 110.59 1xxl h SER 146 Ca 0.14 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1xxl h SER 146 Cb 0.49 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1xxl h SER 146 CO 0.02 -0.22 0.43 -0.33 -1.14 0.00 0.00 176.83 175.59 1xxl h GLU 147 N -0.12 0.85 -0.59 3.45 5.08 -1.86 -1.24 114.58 120.15 1xxl h GLU 147 Ca 0.19 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1xxl h GLU 147 Cb 0.41 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1xxl h GLU 147 CO -0.46 0.56 0.28 -1.49 -1.00 0.00 0.00 179.01 176.89 1xxl h TRP 148 N 0.87 0.86 -0.87 4.33 4.06 -1.09 -2.79 115.95 121.32 1xxl h TRP 148 Ca 0.25 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.17 1xxl h TRP 148 Cb -0.08 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 27.77 1xxl h TRP 148 CO -0.03 0.66 0.57 1.96 -3.56 0.00 0.00 178.44 178.03 1xxl h GLN 149 N 0.81 1.10 -1.08 0.49 4.20 -0.76 -0.76 115.11 119.10 1xxl h GLN 149 Ca 0.20 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1xxl h GLN 149 Cb 0.13 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1xxl h GLN 149 CO -0.02 0.73 0.00 0.00 -0.67 0.00 0.00 178.83 178.86 1xxl n ALA 150 N -2.34 1.84 0.00 3.87 0.00 -0.49 -1.64 120.51 121.75 1xxl n ALA 150 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xxl n ALA 150 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.56 0.00 -0.36 0.00 3.01 -0.29 -1.09 117.46 119.29 1xxl n PHE 152 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1xxl n PHE 152 Cb 0.18 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.75 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 1.11 0.05 4.37 0.87 -1.43 -0.26 113.55 118.26 1xxl h SER 153 Ca 0.00 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1xxl h SER 153 Cb 0.00 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1xxl h SER 153 CO 0.00 0.82 -0.00 0.00 -0.53 0.00 0.00 176.83 177.12 1xxl h ALA 154 N 1.34 1.09 0.00 6.23 0.00 -1.38 -3.00 119.26 123.54 1xxl h ALA 154 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1xxl h ALA 154 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xxl h ALA 154 CO -0.07 0.00 -0.04 0.09 0.00 0.00 0.00 179.25 179.23 1xxl n ASN 155 N -3.21 2.10 -2.82 0.00 3.02 -0.73 -4.99 115.26 108.63 1xxl n ASN 155 Ca -0.03 -2.85 -0.22 0.00 -0.03 0.00 0.00 54.58 51.45 1xxl n ASN 155 Cb 0.08 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.20 -3.75 -3.58 3.52 3.00 -0.80 -4.90 117.38 109.66 1xxl n GLN 156 Ca 0.13 0.92 -0.37 0.00 -0.01 0.00 0.00 57.00 57.67 1xxl n GLN 156 Cb 0.60 -5.71 -0.08 0.00 0.00 0.00 0.00 30.24 25.04 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 -6.45 4.17 0.26 1.08 1.43 -0.19 -0.84 118.68 118.14 1xxl s LEU 157 Ca 0.20 0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 1xxl s LEU 157 Cb -0.09 -2.27 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 1xxl s LEU 157 CO 0.25 0.06 1.33 0.00 0.23 0.00 0.00 176.35 178.22 1xxl s ALA 158 N 0.84 3.53 -0.14 4.21 0.00 0.12 -3.95 121.76 126.37 1xxl s ALA 158 Ca 0.13 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 1xxl s ALA 158 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1xxl s ALA 158 CO 0.04 -0.59 0.04 -0.47 0.00 0.00 0.00 175.76 174.77 1xxl s TYR 159 N -0.38 3.23 -0.05 0.00 6.14 -1.26 -1.45 117.35 123.59 1xxl s TYR 159 Ca 0.54 0.12 -0.02 0.00 0.64 0.00 0.00 57.07 58.35 1xxl s TYR 159 Cb -0.38 -1.94 0.04 0.00 0.42 0.00 0.00 41.96 40.09 1xxl s TYR 159 CO 0.44 0.31 0.10 -1.14 0.64 0.00 0.00 175.55 175.90 1xxl s GLN 160 N -0.24 0.02 -0.52 4.97 0.74 -0.09 -5.01 119.66 119.53 1xxl s GLN 160 Ca 0.07 0.32 -0.29 0.00 0.05 0.00 0.00 55.36 55.51 1xxl s GLN 160 Cb -0.12 -0.24 0.03 0.00 1.10 0.00 0.00 33.01 33.78 1xxl s GLN 160 CO 0.02 -0.19 1.16 0.34 -0.55 0.00 0.00 175.29 176.07 1xxl s ASP 161 N 1.30 6.56 -0.08 6.67 2.15 -1.26 -0.46 116.67 131.55 1xxl s ASP 161 Ca -0.07 0.33 -0.25 0.00 0.43 0.00 0.00 52.55 52.99 1xxl s ASP 161 Cb -0.12 -2.55 -0.29 0.00 -0.30 0.00 0.00 42.92 39.65 1xxl s ASP 161 CO -0.05 -1.35 0.85 0.40 -0.17 0.00 0.00 175.17 174.86 1xxl h ILE 162 N 6.21 1.62 -1.95 4.11 1.08 -1.25 -3.48 117.51 123.86 1xxl h ILE 162 Ca -0.24 -2.46 -0.03 0.00 -0.39 0.00 0.00 64.86 61.75 1xxl h ILE 162 Cb 1.06 3.27 -0.21 0.00 -3.07 0.00 0.00 36.82 37.87 1xxl h ILE 162 CO 1.15 0.67 0.19 -1.58 -0.69 0.00 0.00 178.15 177.90 1xxl s GLN 163 N -2.37 0.87 0.01 2.37 0.74 -1.18 -4.99 119.66 115.10 1xxl s GLN 163 Ca -0.16 0.70 0.06 0.00 0.05 0.00 0.00 55.36 56.02 1xxl s GLN 163 Cb -0.01 0.42 -0.03 0.00 1.10 0.00 0.00 33.01 34.49 1xxl s GLN 163 CO 0.78 -0.17 -0.18 0.15 -0.55 0.00 0.00 175.29 175.31 1xxl s LYS 164 N -0.18 2.18 0.09 1.67 1.02 -1.26 -0.76 119.74 122.50 1xxl s LYS 164 Ca -0.03 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 54.87 1xxl s LYS 164 Cb -0.03 -2.21 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1xxl s LYS 164 CO 0.03 0.56 0.44 1.67 -0.92 0.00 0.00 175.35 177.14 1xxl s TRP 165 N -0.83 -0.29 -0.15 3.18 -2.14 -0.47 -4.99 118.94 113.24 1xxl s TRP 165 Ca 0.13 0.13 -0.27 0.00 2.66 0.00 0.00 56.10 58.74 1xxl s TRP 165 Cb -0.10 0.29 -0.01 0.00 -3.10 0.00 0.00 33.47 30.55 1xxl s TRP 165 CO 0.03 -0.67 0.93 -0.80 -2.66 0.00 0.00 176.95 173.78 1xxl s ASN 166 N -2.43 7.10 -0.45 -2.66 0.01 -1.26 -0.74 114.94 114.50 1xxl s ASN 166 Ca -0.01 1.35 -0.19 0.00 -0.71 0.00 0.00 52.86 53.30 1xxl s ASN 166 Cb 0.00 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.19 1xxl s ASN 166 CO -0.08 -0.44 0.55 -0.22 -1.51 0.00 0.00 177.10 175.40 1xxl s LEU 167 N 2.18 4.82 0.16 0.60 2.96 0.59 -4.92 118.68 125.06 1xxl s LEU 167 Ca 0.43 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 1xxl s LEU 167 Cb -0.17 -2.50 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 1xxl s LEU 167 CO 0.14 -0.73 1.09 -2.16 -1.32 0.00 0.00 176.35 173.37 1xxl s PRO 168 N 2.46 4.60 -0.16 0.98 0.04 -1.26 -1.18 135.00 140.47 1xxl s PRO 168 Ca 0.16 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1xxl s PRO 168 Cb -0.17 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1xxl s PRO 168 CO 0.14 0.08 -0.19 0.42 0.04 0.00 0.00 177.00 177.49 1xxl s ILE 169 N -0.16 1.95 -0.38 0.56 1.09 0.69 -4.96 121.20 119.99 1xxl s ILE 169 Ca 0.49 -0.88 -0.25 0.00 -1.10 0.00 0.00 60.65 58.91 1xxl s ILE 169 Cb -0.29 -1.76 0.02 0.00 -1.06 0.00 0.00 42.46 39.37 1xxl s ILE 169 CO 0.34 0.52 0.87 -1.10 -0.10 0.00 0.00 174.94 175.47 1xxl s GLN 170 N 1.20 3.75 0.17 2.79 -1.52 -1.26 -2.00 119.66 122.78 1xxl s GLN 170 Ca 0.02 0.40 -0.15 0.00 -1.95 0.00 0.00 55.36 53.68 1xxl s GLN 170 Cb -0.14 -3.83 0.12 0.00 -0.22 0.00 0.00 33.01 28.94 1xxl s GLN 170 CO -0.10 -0.96 1.74 -0.92 -0.25 0.00 0.00 175.29 174.81 1xxl h TYR 171 N 8.58 0.24 -0.53 0.91 5.03 -1.56 -1.33 116.97 128.32 1xxl h TYR 171 Ca -0.24 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.08 1xxl h TYR 171 Cb 1.08 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.30 1xxl h TYR 171 CO 0.82 0.08 0.27 -0.44 -1.32 0.00 0.00 178.16 177.57 1xxl h ASP 172 N 0.29 0.68 -0.43 -2.11 3.32 -1.85 -0.70 116.42 115.61 1xxl h ASP 172 Ca 0.20 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1xxl h ASP 172 Cb 0.20 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1xxl h ASP 172 CO -0.22 0.60 -0.10 -1.28 -1.72 0.00 0.00 179.24 176.52 1xxl h SER 173 N 0.70 0.84 -0.72 6.45 0.87 -1.90 -2.11 113.55 117.69 1xxl h SER 173 Ca 0.18 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1xxl h SER 173 Cb 0.09 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1xxl h SER 173 CO -0.03 1.01 0.47 -0.25 -0.53 0.00 0.00 176.83 177.50 1xxl h TRP 174 N 0.66 0.88 -0.23 2.24 7.01 -0.71 -0.77 115.95 125.04 1xxl h TRP 174 Ca 0.11 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1xxl h TRP 174 Cb 0.64 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1xxl h TRP 174 CO 0.05 0.54 0.02 0.82 -2.79 0.00 0.00 178.44 177.08 1xxl h ILE 175 N 0.94 1.24 -0.26 2.65 1.08 -1.09 -2.51 117.51 119.56 1xxl h ILE 175 Ca 0.27 -0.81 0.04 0.00 -0.39 0.00 0.00 64.86 63.97 1xxl h ILE 175 Cb -0.06 1.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1xxl h ILE 175 CO -0.08 0.25 0.03 0.11 -0.69 0.00 0.00 178.15 177.78 1xxl h LYS 176 N 0.17 0.12 0.00 2.37 1.57 -1.13 -2.02 116.57 117.65 1xxl h LYS 176 Ca 0.07 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1xxl h LYS 176 Cb 0.36 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xxl h LYS 176 CO 0.01 0.08 -0.12 0.00 -0.57 0.00 0.00 179.45 178.84 1xxl h ARG 177 N 0.12 0.00 0.00 3.15 3.08 -1.16 -1.93 114.38 117.64 1xxl h ARG 177 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1xxl h ARG 177 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1xxl h ARG 177 CO -0.18 0.12 -0.28 0.41 -1.07 0.00 0.00 179.97 178.98 1xxl n GLY 178 N -0.74 -1.46 3.08 0.04 0.00 -0.95 -4.97 105.19 100.19 1xxl n GLY 178 Ca -0.02 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1xxl n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxl n GLY 179 N 1.42 -0.50 3.71 -0.02 0.00 -0.73 -4.91 105.19 104.16 1xxl n GLY 179 Ca 0.05 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xxl n GLY 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xxl s THR 180 N -2.95 4.03 0.84 2.61 -4.23 -1.19 -5.01 115.64 109.75 1xxl s THR 180 Ca 0.29 1.45 -0.11 0.00 -1.18 0.00 0.00 61.69 62.14 1xxl s THR 180 Cb -0.15 -3.93 0.10 0.00 1.34 0.00 0.00 72.50 69.86 1xxl s THR 180 CO 0.36 0.10 1.09 -2.84 -0.54 0.00 0.00 174.62 172.79 1xxl s PRO 181 N 1.24 1.71 0.22 3.99 0.02 -1.26 -4.74 135.00 136.19 1xxl s PRO 181 Ca 0.59 0.87 -0.07 0.00 0.02 0.00 0.00 61.00 62.40 1xxl s PRO 181 Cb -0.29 -1.86 0.35 0.00 0.02 0.00 0.00 34.50 32.72 1xxl s PRO 181 CO 0.28 -1.94 1.75 0.00 -0.33 0.00 0.00 177.00 176.76 1xxl h ALA 182 N -1.33 0.92 -0.25 -1.55 0.00 -1.98 0.36 119.26 115.44 1xxl h ALA 182 Ca -0.47 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1xxl h ALA 182 Cb 1.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xxl h ALA 182 CO 0.55 -0.16 -0.34 0.22 0.00 0.00 0.00 179.25 179.52 1xxl h ASP 183 N 0.47 0.73 -0.52 0.00 1.82 -1.99 0.22 116.42 117.15 1xxl h ASP 183 Ca 0.35 -0.51 0.06 0.00 -0.39 0.00 0.00 57.03 56.55 1xxl h ASP 183 Cb 0.45 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.20 1xxl h ASP 183 CO -0.33 1.09 0.22 0.03 -1.61 0.00 0.00 179.24 178.64 1xxl h ARG 184 N 0.38 0.41 -0.80 0.28 2.47 -1.81 -2.31 114.38 112.99 1xxl h ARG 184 Ca 0.03 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 1xxl h ARG 184 Cb 0.93 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.12 1xxl h ARG 184 CO 0.08 0.27 0.36 1.49 0.56 0.00 0.00 179.97 182.73 1xxl h GLU 185 N 0.42 1.16 -0.84 0.04 4.81 -0.73 -2.05 114.58 117.39 1xxl h GLU 185 Ca 0.24 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1xxl h GLU 185 Cb 0.23 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1xxl h GLU 185 CO -0.22 0.92 0.55 0.87 -0.73 0.00 0.00 179.01 180.40 1xxl h LYS 186 N 1.14 0.99 -0.66 1.92 1.79 -0.22 -0.05 116.57 121.48 1xxl h LYS 186 Ca 0.27 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1xxl h LYS 186 Cb 0.15 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 1xxl h LYS 186 CO -0.03 0.65 0.27 1.96 -1.08 0.00 0.00 179.45 181.22 1xxl h GLN 187 N 1.02 0.98 -0.45 3.15 4.20 -0.87 -1.50 115.11 121.65 1xxl h GLN 187 Ca 0.34 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1xxl h GLN 187 Cb 0.07 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1xxl h GLN 187 CO -0.11 0.82 0.29 0.82 -0.67 0.00 0.00 178.83 179.98 1xxl h ILE 188 N 0.93 1.09 -0.38 2.54 2.04 -0.62 -1.19 117.51 121.92 1xxl h ILE 188 Ca 0.22 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1xxl h ILE 188 Cb 0.20 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1xxl h ILE 188 CO -0.02 0.11 0.18 0.40 0.00 0.00 0.00 178.15 178.81 1xxl h ILE 189 N 0.58 1.17 -0.63 -0.67 2.04 -0.81 -1.14 117.51 118.07 1xxl h ILE 189 Ca 0.17 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1xxl h ILE 189 Cb -0.04 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1xxl h ILE 189 CO -0.05 0.19 0.39 0.74 0.00 0.00 0.00 178.15 179.42 1xxl h THR 190 N 0.47 1.08 -0.28 -0.27 2.02 -1.17 -0.06 112.91 114.71 1xxl h THR 190 Ca 0.13 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1xxl h THR 190 Cb 0.13 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1xxl h THR 190 CO -0.02 0.14 0.11 -0.74 0.37 0.00 0.00 175.52 175.39 1xxl h HIS 191 N 0.77 0.21 -0.42 3.16 6.17 -0.73 -0.51 115.15 123.79 1xxl h HIS 191 Ca 0.25 0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.23 1xxl h HIS 191 Cb 0.01 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 1xxl h HIS 191 CO -0.05 0.10 -0.17 -0.07 0.71 0.00 0.00 177.93 178.45 1xxl h LEU 192 N 0.25 0.89 -1.15 0.26 3.38 -1.01 -2.72 115.31 115.21 1xxl h LEU 192 Ca 0.12 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1xxl h LEU 192 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xxl h LEU 192 CO -0.11 1.08 -0.38 0.78 0.09 0.00 0.00 178.44 179.90 1xxl h ASN 193 N 0.69 0.00 -0.72 -0.43 4.21 -0.82 -2.98 115.58 115.53 1xxl h ASN 193 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1xxl h ASN 193 Cb 0.73 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 1xxl h ASN 193 CO 0.06 0.38 0.00 1.41 -1.29 0.00 0.00 177.43 177.99 1xxl n HIS 194 N -3.80 1.06 -1.66 1.19 8.25 -0.22 -5.00 115.22 115.05 1xxl n HIS 194 Ca -0.01 -0.50 -0.44 0.00 -0.26 0.00 0.00 57.72 56.50 1xxl n HIS 194 Cb 0.46 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 1xxl n HIS 194 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxl n ALA 195 N 1.55 0.79 -0.57 -1.41 0.00 -1.03 -4.99 120.51 114.85 1xxl n ALA 195 Ca 0.25 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.79 1xxl n ALA 195 Cb 0.66 -2.20 0.22 0.00 0.00 0.00 0.00 19.45 18.13 1xxl n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xxl s SER 196 N -0.07 1.62 0.26 0.00 1.04 -1.26 -4.73 113.70 110.56 1xxl s SER 196 Ca 0.63 1.81 -0.03 0.00 0.48 0.00 0.00 55.95 58.83 1xxl s SER 196 Cb -0.65 -2.43 0.38 0.00 0.10 0.00 0.00 66.02 63.42 1xxl s SER 196 CO 0.56 -3.85 1.89 0.44 0.98 0.00 0.00 173.24 173.25 1xxl h ASP 197 N -2.38 1.06 -0.58 7.02 3.32 -1.99 -0.82 116.42 122.05 1xxl h ASP 197 Ca -0.55 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.43 1xxl h ASP 197 Cb 1.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1xxl h ASP 197 CO 0.46 0.69 0.06 -0.33 -1.72 0.00 0.00 179.24 178.40 1xxl h GLU 198 N 1.21 0.98 -0.50 3.56 3.07 -1.99 -1.53 114.58 119.36 1xxl h GLU 198 Ca 0.42 -0.28 -0.09 0.00 -0.50 0.00 0.00 59.36 58.91 1xxl h GLU 198 Cb 0.11 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1xxl h GLU 198 CO -0.16 0.95 -0.03 0.00 -1.40 0.00 0.00 179.01 178.37 1xxl h ALA 199 N 0.99 0.68 -0.92 3.43 0.00 -1.81 0.02 119.26 121.66 1xxl h ALA 199 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xxl h ALA 199 Cb 0.47 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1xxl h ALA 199 CO 0.02 0.52 0.61 0.00 0.00 0.00 0.00 179.25 180.40 1xxl h ARG 200 N 0.78 1.21 0.13 0.00 3.08 -1.01 0.37 114.38 118.94 1xxl h ARG 200 Ca 0.14 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1xxl h ARG 200 Cb 0.57 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xxl h ARG 200 CO 0.03 0.80 -0.06 0.22 -1.07 0.00 0.00 179.97 179.89 1xxl h ASP 201 N 1.25 -0.15 -0.74 7.04 3.58 -1.14 -2.21 116.42 124.05 1xxl h ASP 201 Ca 0.34 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1xxl h ASP 201 Cb -0.14 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1xxl h ASP 201 CO -0.07 0.38 0.45 0.74 -2.88 0.00 0.00 179.24 177.85 1xxl h THR 202 N -0.75 1.21 -0.50 2.25 2.02 -0.90 -3.00 112.91 113.24 1xxl h THR 202 Ca -0.02 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1xxl h THR 202 Cb 0.53 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xxl h THR 202 CO 0.03 0.22 0.00 0.49 0.37 0.00 0.00 175.52 176.63 1xxl n PHE 203 N -4.52 1.28 -3.90 3.16 3.72 0.11 -4.90 117.46 112.41 1xxl n PHE 203 Ca 0.07 -0.67 -0.27 0.00 -0.05 0.00 0.00 57.45 56.53 1xxl n PHE 203 Cb 0.05 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 38.33 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 -3.85 4.57 -0.11 0.00 1.01 -0.90 -4.02 121.20 117.90 1xxl s ILE 205 Ca 0.10 1.88 0.03 0.00 0.00 0.00 0.00 60.65 62.66 1xxl s ILE 205 Cb -0.04 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1xxl s ILE 205 CO 0.88 -0.10 -0.20 -0.89 0.00 0.00 0.00 174.94 174.63 1xxl s THR 206 N 2.82 2.39 0.09 2.92 2.01 0.04 -4.99 115.64 120.91 1xxl s THR 206 Ca 0.49 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1xxl s THR 206 Cb -0.18 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1xxl s THR 206 CO 0.13 0.55 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.72 1xxl s LEU 207 N 0.32 2.33 0.75 4.42 1.43 -1.26 -0.64 118.68 126.02 1xxl s LEU 207 Ca -0.16 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1xxl s LEU 207 Cb -0.17 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.62 1xxl s LEU 207 CO 0.08 -0.13 1.09 0.20 0.23 0.00 0.00 176.35 177.81 1xxl s ASN 208 N -2.01 4.71 0.37 2.29 0.01 0.45 -4.87 114.94 115.89 1xxl s ASN 208 Ca 0.01 1.80 0.07 0.00 -0.71 0.00 0.00 52.86 54.03 1xxl s ASN 208 Cb -0.08 -2.52 0.79 0.00 0.41 0.00 0.00 41.25 39.86 1xxl s ASN 208 CO 0.02 -1.90 1.95 1.56 -1.51 0.00 0.00 177.10 177.22 1xxl h GLN 209 N -0.97 0.68 -0.17 -0.60 4.20 -2.02 -0.56 115.11 115.66 1xxl h GLN 209 Ca -0.44 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1xxl h GLN 209 Cb 1.23 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1xxl h GLN 209 CO 0.53 0.45 0.00 0.27 -0.67 0.00 0.00 178.83 179.40 1xxl n ASN 210 N -4.49 0.17 0.00 1.46 2.04 -1.26 -4.88 115.26 108.31 1xxl n ASN 210 Ca 0.12 -1.99 0.00 0.00 -0.44 0.00 0.00 54.58 52.27 1xxl n ASN 210 Cb 0.29 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 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 0.41 1.33 3.67 4.83 0.00 -0.22 -5.02 105.19 110.19 1xxl n GLY 211 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.28 4.21 0.55 1.61 2.00 -1.26 -4.74 119.66 121.75 1xxl s GLN 212 Ca 0.00 2.01 -0.19 0.00 -2.00 0.00 0.00 55.36 55.17 1xxl s GLN 212 Cb 0.00 -3.84 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 1xxl s GLN 212 CO 0.00 -0.76 1.13 -2.14 -0.50 0.00 0.00 175.29 173.02 1xxl s PRO 213 N 3.56 3.30 -0.10 1.67 0.02 -1.26 -0.41 135.00 141.78 1xxl s PRO 213 Ca 0.66 1.60 -0.05 0.00 0.02 0.00 0.00 61.00 63.23 1xxl s PRO 213 Cb -0.30 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1xxl s PRO 213 CO 0.25 -0.89 -0.14 -0.89 -0.33 0.00 0.00 177.00 175.00 1xxl n ILE 214 N -1.39 0.65 -3.61 2.83 5.41 0.18 -4.75 119.36 118.68 1xxl n ILE 214 Ca 0.12 -0.11 -0.10 0.00 1.00 0.00 0.00 62.75 63.66 1xxl n ILE 214 Cb 0.51 -1.67 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 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 -5.96 -0.39 0.29 4.38 1.04 -0.97 -1.42 113.70 110.68 1xxl s SER 215 Ca -0.15 -0.28 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 1xxl s SER 215 Cb 0.05 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.80 1xxl s SER 215 CO 0.18 -1.06 0.66 0.72 0.98 0.00 0.00 173.24 174.73 1xxl s PHE 216 N -3.82 0.03 -0.00 5.02 -0.12 -0.85 -0.78 117.98 117.45 1xxl s PHE 216 Ca 0.05 -0.49 0.07 0.00 -0.05 0.00 0.00 56.93 56.51 1xxl s PHE 216 Cb -0.02 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1xxl s PHE 216 CO -0.06 -1.23 -0.22 0.00 -0.05 0.00 0.00 175.22 173.66 1xxl s LEU 218 N -0.65 4.03 -0.33 0.00 1.02 -0.33 -4.51 118.68 117.91 1xxl s LEU 218 Ca 0.08 0.24 -0.14 0.00 0.02 0.00 0.00 54.13 54.33 1xxl s LEU 218 Cb -0.09 -3.09 -0.02 0.00 0.02 0.00 0.00 46.19 43.01 1xxl s LEU 218 CO -0.00 -0.32 0.31 -0.54 0.02 0.00 0.00 176.35 175.82 1xxl s LYS 219 N -4.25 3.63 0.18 1.70 -0.14 -1.26 -0.30 119.74 119.30 1xxl s LYS 219 Ca 0.40 -0.42 0.09 0.00 -1.36 0.00 0.00 55.97 54.69 1xxl s LYS 219 Cb -0.09 -3.77 -0.04 0.00 -1.68 0.00 0.00 37.83 32.24 1xxl s LYS 219 CO 0.34 -0.44 -0.13 0.00 -0.76 0.00 0.00 175.35 174.36 1xxl s ALA 220 N 1.92 2.85 0.02 5.17 0.00 0.08 -0.32 121.76 131.49 1xxl s ALA 220 Ca 0.10 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 1xxl s ALA 220 Cb -0.17 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1xxl s ALA 220 CO 0.11 0.47 0.33 -1.50 0.00 0.00 0.00 175.76 175.17 1xxl s ILE 221 N -1.65 0.07 -0.23 0.00 2.07 -0.77 -1.37 121.20 119.31 1xxl s ILE 221 Ca 0.24 -0.55 -0.05 0.00 -1.41 0.00 0.00 60.65 58.87 1xxl s ILE 221 Cb -0.09 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 1xxl s ILE 221 CO 0.14 -0.30 0.00 -0.22 -1.91 0.00 0.00 174.94 172.65 1xxl s LEU 222 N -1.72 3.13 -0.11 8.50 2.96 0.06 -2.79 118.68 128.71 1xxl s LEU 222 Ca -0.09 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1xxl s LEU 222 Cb -0.03 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1xxl s LEU 222 CO 0.00 -0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.38 1xxl s ILE 223 N 1.46 4.22 -0.20 6.68 1.01 0.38 -0.66 121.20 134.09 1xxl s ILE 223 Ca 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 1xxl s ILE 223 Cb -0.15 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1xxl s ILE 223 CO -0.00 0.56 0.01 -1.58 0.00 0.00 0.00 174.94 173.93 1xxl s GLN 224 N -0.42 3.67 -0.14 2.79 0.74 0.39 -0.89 119.66 125.80 1xxl s GLN 224 Ca 0.08 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 54.92 1xxl s GLN 224 Cb -0.12 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 1xxl s GLN 224 CO 0.02 0.04 0.10 0.20 -0.55 0.00 0.00 175.29 175.10 1xxl s GLY 225 N 0.93 2.03 -0.11 2.59 0.00 0.66 -0.91 107.32 112.51 1xxl s GLY 225 Ca 0.02 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1xxl s GLY 225 CO 0.02 -0.22 -0.21 -0.42 0.00 0.00 0.00 173.10 172.27 1xxl s ILE 226 N -0.44 1.91 -0.21 0.90 1.01 -0.52 -0.39 121.20 123.45 1xxl s ILE 226 Ca 0.11 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 1xxl s ILE 226 Cb -0.12 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 1xxl s ILE 226 CO 0.02 0.52 1.46 -0.75 0.00 0.00 0.00 174.94 176.19 1xxl s LYS 227 N 0.56 3.96 0.00 2.79 2.20 -0.97 0.10 119.74 128.39 1xxl s LYS 227 Ca -0.14 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1xxl s LYS 227 Cb -0.17 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 1xxl s LYS 227 CO 0.05 -1.07 0.00 0.54 -0.36 0.00 0.00 175.35 174.50 1xxl n ARG 228 N 7.29 1.45 -3.79 4.03 5.12 -0.02 -0.47 116.66 130.27 1xxl n ARG 228 Ca 0.16 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.92 1xxl n ARG 228 Cb 0.45 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.69 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 0.42 0.00 5.56 1.02 -1.26 -4.90 120.64 121.48 1xxl n GLU 229 Ca 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1xxl n GLU 229 Cb 0.00 1.94 0.00 0.00 -0.02 0.00 0.00 31.44 33.36 1xxl n GLU 229 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72