#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upa s THR 13 N 0.00 2.06 0.55 0.52 2.01 -1.26 -4.58 115.64 114.93 1upa s THR 13 Ca 0.00 -1.97 0.22 0.00 0.31 0.00 0.00 61.69 60.25 1upa s THR 13 Cb 0.00 -2.98 0.32 0.00 0.01 0.00 0.00 72.50 69.85 1upa s THR 13 CO 0.00 -0.01 2.14 0.00 -0.69 0.00 0.00 174.62 176.06 1upa h ALA 14 N 1.74 1.95 -0.36 7.40 0.00 -1.27 -1.39 119.26 127.33 1upa h ALA 14 Ca -0.44 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1upa h ALA 14 Cb 1.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1upa h ALA 14 CO 0.79 -0.15 0.19 0.00 0.00 0.00 0.00 179.25 180.07 1upa h ALA 15 N 1.92 0.45 -0.19 0.00 0.00 -1.50 0.66 119.26 120.60 1upa h ALA 15 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1upa h ALA 15 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1upa h ALA 15 CO -0.00 -0.18 0.09 1.25 0.00 0.00 0.00 179.25 180.41 1upa h HIS 16 N 0.38 0.29 -0.41 0.00 6.17 -1.59 -2.04 115.15 117.95 1upa h HIS 16 Ca 0.15 -0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.17 1upa h HIS 16 Cb 0.05 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 1upa h HIS 16 CO -0.09 0.31 0.06 0.00 0.71 0.00 0.00 177.93 178.91 1upa h ALA 17 N 0.94 1.34 0.35 5.26 0.00 -1.13 0.26 119.26 126.28 1upa h ALA 17 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1upa h ALA 17 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1upa h ALA 17 CO -0.01 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.79 1upa h LEU 18 N 0.60 -0.40 -1.05 0.00 5.85 -0.74 -1.15 115.31 118.43 1upa h LEU 18 Ca 0.13 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1upa h LEU 18 Cb 0.30 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1upa h LEU 18 CO 0.00 -0.07 0.40 -0.07 -0.34 0.00 0.00 178.44 178.37 1upa h LEU 19 N -0.75 0.96 -0.99 2.25 3.38 -1.22 -0.48 115.31 118.46 1upa h LEU 19 Ca -0.05 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1upa h LEU 19 Cb 0.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1upa h LEU 19 CO 0.08 0.78 0.05 -1.28 0.09 0.00 0.00 178.44 178.16 1upa h SER 20 N 1.07 0.74 0.61 -0.43 0.87 -0.47 -0.98 113.55 114.96 1upa h SER 20 Ca 0.27 -0.16 -0.22 0.00 -1.23 0.00 0.00 61.79 60.45 1upa h SER 20 Cb 0.05 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1upa h SER 20 CO -0.04 0.78 -0.97 -0.09 -0.53 0.00 0.00 176.83 175.98 1upa h ARG 21 N 0.74 0.22 -0.61 2.24 9.65 -0.39 -1.65 114.38 124.58 1upa h ARG 21 Ca 0.15 -0.27 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1upa h ARG 21 Cb 0.38 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 1upa h ARG 21 CO 0.01 1.03 0.37 -0.07 2.80 0.00 0.00 179.97 184.11 1upa h LEU 22 N 0.10 0.60 -0.71 3.80 3.38 -0.90 -2.51 115.31 119.09 1upa h LEU 22 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1upa h LEU 22 Cb 1.63 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 1upa h LEU 22 CO 0.15 0.42 0.34 -0.09 0.09 0.00 0.00 178.44 179.34 1upa h ARG 23 N 0.73 1.02 0.00 1.13 9.65 -1.00 -1.48 114.38 124.42 1upa h ARG 23 Ca 0.25 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1upa h ARG 23 Cb 0.03 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.43 1upa h ARG 23 CO -0.11 0.80 -0.00 -0.44 2.80 0.00 0.00 179.97 183.03 1upa h ASP 24 N 0.99 0.00 -0.27 -3.80 3.32 -1.01 0.70 116.42 116.34 1upa h ASP 24 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1upa h ASP 24 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1upa h ASP 24 CO -0.03 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.90 1upa n HIS 25 N -4.09 0.35 -0.35 4.55 8.25 -0.75 -4.73 115.22 118.45 1upa n HIS 25 Ca -0.03 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1upa n HIS 25 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1upa n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upa n GLY 26 N 1.19 0.73 3.71 -1.41 0.00 0.24 -4.76 105.19 104.89 1upa n GLY 26 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1upa n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upa s VAL 27 N -2.46 3.61 -0.25 1.61 1.01 -0.63 -4.90 120.40 118.38 1upa s VAL 27 Ca 0.00 1.13 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1upa s VAL 27 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1upa s VAL 27 CO 0.00 0.07 0.24 0.61 0.00 0.00 0.00 175.10 176.02 1upa n GLY 28 N 3.44 0.39 2.93 4.51 0.00 -1.26 -4.02 105.19 111.17 1upa n GLY 28 Ca 0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1upa n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upa s LYS 29 N -1.26 0.22 -0.18 1.61 -0.14 -1.26 -1.57 119.74 117.16 1upa s LYS 29 Ca 0.02 -0.20 0.01 0.00 -1.36 0.00 0.00 55.97 54.44 1upa s LYS 29 Cb 0.03 -0.15 0.03 0.00 -1.68 0.00 0.00 37.83 36.06 1upa s LYS 29 CO 0.16 0.04 -0.13 0.08 -0.76 0.00 0.00 175.35 174.74 1upa s VAL 30 N -0.33 1.65 0.00 3.17 1.01 -0.51 -4.22 120.40 121.18 1upa s VAL 30 Ca -0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 1upa s VAL 30 Cb -0.03 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1upa s VAL 30 CO -0.00 0.32 0.45 -0.36 0.00 0.00 0.00 175.10 175.51 1upa s PHE 31 N 1.43 3.73 -2.81 5.22 0.40 -1.00 -0.66 117.98 124.28 1upa s PHE 31 Ca 0.02 1.04 0.00 0.00 -0.60 0.00 0.00 56.93 57.39 1upa s PHE 31 Cb -0.14 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1upa s PHE 31 CO -0.10 0.59 0.00 0.41 0.70 0.00 0.00 175.22 176.82 1upa n GLY 32 N 1.94 -1.40 2.98 4.36 0.00 -0.71 -0.54 105.19 111.81 1upa n GLY 32 Ca -0.13 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 1upa n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upa s VAL 33 N -2.91 1.20 -0.02 1.61 1.01 -0.90 -1.95 120.40 118.44 1upa s VAL 33 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1upa s VAL 33 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1upa s VAL 33 CO 0.00 0.39 0.55 -0.69 0.00 0.00 0.00 175.10 175.35 1upa s VAL 34 N 1.25 4.95 0.00 2.92 1.01 -1.26 -3.49 120.40 125.78 1upa s VAL 34 Ca -0.03 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1upa s VAL 34 Cb -0.14 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1upa s VAL 34 CO -0.04 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1upa n GLY 35 N 2.45 3.34 0.05 4.51 0.00 -1.26 -4.95 105.19 109.32 1upa n GLY 35 Ca -0.08 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1upa n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1upa n ARG 36 N 0.00 0.05 0.00 1.61 1.85 -1.26 -1.19 116.66 117.72 1upa n ARG 36 Ca 0.00 0.43 0.01 0.00 -1.00 0.00 0.00 57.85 57.29 1upa n ARG 36 Cb 0.00 -1.63 0.07 0.00 -1.05 0.00 0.00 32.46 29.85 1upa n ARG 36 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1upa n GLU 37 N -1.74 0.04 0.22 2.89 0.00 -1.26 -2.59 120.64 118.19 1upa n GLU 37 Ca 0.01 0.28 0.17 0.00 0.00 0.00 0.00 57.16 57.63 1upa n GLU 37 Cb 0.10 -1.50 0.84 0.00 0.00 0.00 0.00 31.44 30.88 1upa n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upa h ALA 38 N 2.13 1.76 0.00 -1.84 0.00 -1.31 0.10 119.26 120.10 1upa h ALA 38 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1upa h ALA 38 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1upa h ALA 38 CO 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 179.25 178.89 1upa h ALA 39 N 1.77 1.40 0.00 0.00 0.00 -1.78 -3.16 119.26 117.49 1upa h ALA 39 Ca 0.08 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1upa h ALA 39 Cb 0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1upa h ALA 39 CO -0.00 0.10 -1.92 0.43 0.00 0.00 0.00 179.25 177.86 1upa n SER 40 N -3.77 1.15 -3.72 0.00 7.64 0.18 -4.98 113.62 110.11 1upa n SER 40 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.67 1upa n SER 40 Cb 0.18 1.34 -0.17 0.00 -1.01 0.00 0.00 64.21 64.55 1upa n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1upa s ILE 41 N -2.79 -0.06 -0.12 0.44 2.07 -0.16 -4.45 121.20 116.13 1upa s ILE 41 Ca -0.07 0.33 -0.04 0.00 -1.41 0.00 0.00 60.65 59.46 1upa s ILE 41 Cb 0.08 -0.15 -0.25 0.00 0.13 0.00 0.00 42.46 42.27 1upa s ILE 41 CO 0.67 0.15 0.34 0.18 -1.91 0.00 0.00 174.94 174.38 1upa n LEU 42 N 4.85 2.46 0.00 8.50 4.77 -1.26 -4.15 117.00 132.18 1upa n LEU 42 Ca -0.13 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1upa n LEU 42 Cb 0.50 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1upa n LEU 42 CO 0.13 0.81 0.00 0.49 -1.33 0.00 0.00 177.39 177.49 1upa n PHE 43 N -3.41 0.00 -0.03 -1.77 3.72 -1.26 -4.96 117.46 109.75 1upa n PHE 43 Ca -0.32 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.10 1upa n PHE 43 Cb 1.05 -0.29 0.03 0.00 -0.94 0.00 0.00 39.48 39.33 1upa n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1upa n ASP 44 N 1.15 2.15 0.20 4.37 5.75 -1.26 -4.49 116.55 124.42 1upa n ASP 44 Ca 0.00 -1.94 0.06 0.00 -0.01 0.00 0.00 54.79 52.90 1upa n ASP 44 Cb 0.00 -0.05 0.39 0.00 -1.03 0.00 0.00 41.12 40.42 1upa n ASP 44 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1upa h GLU 45 N 0.48 0.00 -4.26 0.11 3.07 -1.93 -3.43 114.58 108.63 1upa h GLU 45 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 1upa h GLU 45 Cb 0.53 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.07 1upa h GLU 45 CO 0.00 0.34 -0.80 0.08 -1.40 0.00 0.00 179.01 177.23 1upa s VAL 46 N -3.72 0.99 0.20 3.13 1.01 -1.26 -5.01 120.40 115.74 1upa s VAL 46 Ca -0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1upa s VAL 46 Cb 0.11 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 1upa s VAL 46 CO 0.68 0.35 1.48 -1.83 0.00 0.00 0.00 175.10 175.78 1upa s GLU 47 N 1.45 4.25 0.00 2.72 1.03 -1.26 -3.23 118.70 123.66 1upa s GLU 47 Ca -0.00 2.30 0.00 0.00 0.03 0.00 0.00 54.97 57.30 1upa s GLU 47 Cb -0.13 -3.14 0.00 0.00 -0.80 0.00 0.00 34.13 30.05 1upa s GLU 47 CO -0.05 -0.49 0.00 0.41 -1.33 0.00 0.00 175.26 173.80 1upa n GLY 48 N 2.95 0.69 3.12 -3.83 0.00 -1.26 -5.05 105.19 101.81 1upa n GLY 48 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1upa n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upa s ILE 49 N -2.34 2.05 0.05 -0.61 1.01 -1.20 -4.44 121.20 115.73 1upa s ILE 49 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1upa s ILE 49 Cb 0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1upa s ILE 49 CO 0.00 0.54 -0.06 -1.81 0.00 0.00 0.00 174.94 173.61 1upa s ASP 50 N 1.23 4.68 0.07 3.58 1.01 -0.61 -4.84 116.67 121.79 1upa s ASP 50 Ca 0.04 -0.22 -0.22 0.00 0.71 0.00 0.00 52.55 52.85 1upa s ASP 50 Cb -0.13 -1.05 -0.06 0.00 1.01 0.00 0.00 42.92 42.68 1upa s ASP 50 CO -0.12 0.22 0.68 0.12 0.21 0.00 0.00 175.17 176.28 1upa s PHE 51 N -1.14 3.79 -0.33 4.23 5.36 -1.26 -1.42 117.98 127.20 1upa s PHE 51 Ca 0.21 1.40 0.01 0.00 -0.96 0.00 0.00 56.93 57.58 1upa s PHE 51 Cb -0.11 -2.67 0.08 0.00 -0.34 0.00 0.00 43.02 39.98 1upa s PHE 51 CO 0.12 0.44 0.04 0.08 -1.46 0.00 0.00 175.22 174.44 1upa s VAL 52 N -0.66 2.69 -0.08 3.12 1.01 0.16 -4.92 120.40 121.73 1upa s VAL 52 Ca 0.33 -1.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1upa s VAL 52 Cb -0.20 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1upa s VAL 52 CO 0.21 -0.36 0.94 -0.22 0.00 0.00 0.00 175.10 175.68 1upa s LEU 53 N 1.10 4.28 0.49 3.92 2.96 -1.26 -1.75 118.68 128.43 1upa s LEU 53 Ca 0.02 1.49 0.07 0.00 -0.22 0.00 0.00 54.13 55.48 1upa s LEU 53 Cb -0.20 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1upa s LEU 53 CO -0.05 -0.35 0.43 0.42 -1.32 0.00 0.00 176.35 175.48 1upa s THR 54 N 1.60 2.11 -0.27 3.68 -4.23 -0.82 -4.92 115.64 112.78 1upa s THR 54 Ca 0.47 -1.39 0.21 0.00 -1.18 0.00 0.00 61.69 59.80 1upa s THR 54 Cb -0.19 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.24 1upa s THR 54 CO 0.20 0.00 1.23 0.03 -0.54 0.00 0.00 174.62 175.55 1upa h ARG 55 N 0.82 0.00 -2.99 3.99 2.47 -1.90 -3.44 114.38 113.32 1upa h ARG 55 Ca -0.38 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.20 1upa h ARG 55 Cb 1.28 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.37 1upa h ARG 55 CO 0.56 0.09 -0.33 -1.58 0.56 0.00 0.00 179.97 179.27 1upa s HIS 56 N -3.21 -0.30 0.42 3.04 2.46 -1.26 -5.03 115.29 111.40 1upa s HIS 56 Ca 0.02 0.69 0.10 0.00 0.47 0.00 0.00 55.06 56.35 1upa s HIS 56 Cb 0.08 0.11 0.90 0.00 -0.13 0.00 0.00 32.58 33.54 1upa s HIS 56 CO 0.75 -0.22 2.00 0.93 -2.47 0.00 0.00 174.74 175.73 1upa h GLU 57 N 5.19 0.27 -0.52 2.88 3.07 -1.90 -2.65 114.58 120.92 1upa h GLU 57 Ca -0.27 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.63 1upa h GLU 57 Cb 1.19 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.98 1upa h GLU 57 CO 0.33 0.29 0.14 0.35 -1.40 0.00 0.00 179.01 178.72 1upa h PHE 58 N 0.27 0.23 -0.86 4.33 3.57 -1.88 -0.91 116.94 121.68 1upa h PHE 58 Ca 0.06 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1upa h PHE 58 Cb 0.18 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1upa h PHE 58 CO 0.00 0.03 0.55 1.15 -2.23 0.00 0.00 178.31 177.81 1upa h THR 59 N 0.29 1.11 -0.26 4.41 2.02 -1.84 -1.66 112.91 116.98 1upa h THR 59 Ca 0.26 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1upa h THR 59 Cb 0.34 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1upa h THR 59 CO -0.31 0.19 0.14 0.00 0.37 0.00 0.00 175.52 175.91 1upa h ALA 60 N 1.37 0.34 -0.50 6.16 0.00 -1.18 -1.59 119.26 123.86 1upa h ALA 60 Ca 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1upa h ALA 60 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1upa h ALA 60 CO -0.13 -0.12 0.23 0.78 0.00 0.00 0.00 179.25 180.01 1upa h GLY 61 N 0.31 0.78 1.33 0.00 0.00 -0.80 -2.38 103.07 102.31 1upa h GLY 61 Ca 0.09 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 1upa h GLY 61 CO -0.01 0.38 -0.63 -2.08 0.00 0.00 0.00 176.54 174.19 1upa h VAL 62 N 0.67 1.30 -0.59 4.60 2.07 -1.28 -1.25 116.25 121.77 1upa h VAL 62 Ca 0.17 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 65.82 1upa h VAL 62 Cb 0.14 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1upa h VAL 62 CO -0.02 0.59 0.39 0.00 0.02 0.00 0.00 177.57 178.55 1upa h ALA 63 N 0.78 0.75 -0.50 1.67 0.00 -1.22 -0.10 119.26 120.64 1upa h ALA 63 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1upa h ALA 63 Cb 1.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1upa h ALA 63 CO 0.13 0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.87 1upa h ALA 64 N 1.22 0.64 -0.49 0.00 0.00 -1.29 -0.69 119.26 118.65 1upa h ALA 64 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1upa h ALA 64 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1upa h ALA 64 CO -0.05 0.12 0.28 0.22 0.00 0.00 0.00 179.25 179.82 1upa h ASP 65 N 0.67 0.60 -0.34 0.00 1.82 -0.57 -0.28 116.42 118.31 1upa h ASP 65 Ca 0.18 -0.07 -0.15 0.00 -0.39 0.00 0.00 57.03 56.60 1upa h ASP 65 Cb -0.02 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1upa h ASP 65 CO -0.03 0.50 -0.35 0.58 -1.61 0.00 0.00 179.24 178.32 1upa h VAL 66 N 0.65 1.27 -0.54 2.25 2.07 -0.86 -1.04 116.25 120.05 1upa h VAL 66 Ca 0.17 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 1upa h VAL 66 Cb 0.02 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1upa h VAL 66 CO -0.03 0.51 -0.02 0.25 0.02 0.00 0.00 177.57 178.30 1upa h LEU 67 N 0.74 0.92 -0.59 2.57 5.85 -0.91 -1.71 115.31 122.17 1upa h LEU 67 Ca 0.07 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1upa h LEU 67 Cb 0.93 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1upa h LEU 67 CO 0.09 0.99 0.14 0.00 -0.34 0.00 0.00 178.44 179.31 1upa h ALA 68 N 1.11 0.78 -0.48 1.25 0.00 -0.87 -1.33 119.26 119.72 1upa h ALA 68 Ca 0.16 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1upa h ALA 68 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1upa h ALA 68 CO 0.03 0.49 0.28 -0.09 0.00 0.00 0.00 179.25 179.96 1upa h ARG 69 N 0.86 0.54 0.18 0.00 2.43 -0.85 0.11 114.38 117.64 1upa h ARG 69 Ca 0.18 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 59.09 1upa h ARG 69 Cb 0.35 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1upa h ARG 69 CO 0.00 0.36 -1.05 0.82 -1.51 0.00 0.00 179.97 178.60 1upa h ILE 70 N 0.56 1.42 0.00 1.20 2.04 -1.19 -3.26 117.51 118.28 1upa h ILE 70 Ca 0.19 -2.58 -0.10 0.00 1.00 0.00 0.00 64.86 63.38 1upa h ILE 70 Cb 0.02 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1upa h ILE 70 CO -0.09 0.75 -0.46 0.71 0.00 0.00 0.00 178.15 179.06 1upa h THR 71 N -0.21 0.90 -0.59 -0.27 1.35 -1.31 -3.47 112.91 109.30 1upa h THR 71 Ca -0.19 -1.92 -0.19 0.00 -0.55 0.00 0.00 66.41 63.57 1upa h THR 71 Cb 1.81 2.20 -0.06 0.00 -1.73 0.00 0.00 68.15 70.36 1upa h THR 71 CO 0.19 0.45 -0.18 0.61 -0.25 0.00 0.00 175.52 176.33 1upa n GLY 72 N 0.74 0.90 3.27 5.82 0.00 0.37 -5.04 105.19 111.25 1upa n GLY 72 Ca 0.01 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1upa n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upa s ARG 73 N -3.07 1.09 0.31 1.61 0.52 -1.18 -4.86 118.95 113.37 1upa s ARG 73 Ca 0.00 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 53.76 1upa s ARG 73 Cb 0.00 -1.28 -0.11 0.00 0.52 0.00 0.00 34.95 34.08 1upa s ARG 73 CO 0.00 0.29 1.54 -2.14 0.02 0.00 0.00 175.30 175.00 1upa s PRO 74 N -2.00 4.14 0.43 3.54 0.02 -1.26 -4.29 135.00 135.58 1upa s PRO 74 Ca 0.06 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.66 1upa s PRO 74 Cb -0.09 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 1upa s PRO 74 CO 0.04 -0.56 0.03 -0.65 -0.33 0.00 0.00 177.00 175.53 1upa s GLN 75 N -1.00 1.98 0.02 5.54 -1.52 -0.99 -4.56 119.66 119.12 1upa s GLN 75 Ca 0.59 -2.18 0.02 0.00 -1.95 0.00 0.00 55.36 51.84 1upa s GLN 75 Cb -0.46 -1.37 -0.01 0.00 -0.22 0.00 0.00 33.01 30.94 1upa s GLN 75 CO 0.52 -0.22 -0.06 0.00 -0.25 0.00 0.00 175.29 175.28 1upa s ALA 76 N -2.91 0.43 0.16 6.09 0.00 -1.26 -0.50 121.76 123.76 1upa s ALA 76 Ca 0.24 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1upa s ALA 76 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1upa s ALA 76 CO 0.12 0.03 0.01 0.00 0.00 0.00 0.00 175.76 175.92 1upa s TRP 78 N -3.76 -0.20 0.17 0.00 -0.11 0.30 -1.35 118.94 113.98 1upa s TRP 78 Ca 0.23 0.51 -0.00 0.00 1.22 0.00 0.00 56.10 58.06 1upa s TRP 78 Cb 0.06 0.00 -0.04 0.00 -1.50 0.00 0.00 33.47 31.99 1upa s TRP 78 CO 0.03 -0.14 0.06 0.00 -4.62 0.00 0.00 176.95 172.28 1upa s ALA 79 N 0.71 1.13 0.92 5.86 0.00 -0.29 -2.13 121.76 127.95 1upa s ALA 79 Ca -0.05 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 1upa s ALA 79 Cb -0.07 0.93 0.16 0.00 0.00 0.00 0.00 23.12 24.14 1upa s ALA 79 CO -0.04 -0.47 1.00 -2.37 0.00 0.00 0.00 175.76 173.89 1upa n THR 80 N -0.20 0.00 -1.44 0.00 5.66 -1.23 -1.63 114.28 115.43 1upa n THR 80 Ca -0.04 -0.91 -0.30 0.00 -3.05 0.00 0.00 64.05 59.75 1upa n THR 80 Cb 0.64 -1.45 0.11 0.00 -1.55 0.00 0.00 70.33 68.09 1upa n THR 80 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1upa s LEU 81 N 0.00 2.45 0.00 1.09 2.34 -1.18 -4.05 118.68 119.33 1upa s LEU 81 Ca 0.59 1.34 0.00 0.00 0.06 0.00 0.00 54.13 56.12 1upa s LEU 81 Cb -0.02 -3.87 0.00 0.00 -0.56 0.00 0.00 46.19 41.74 1upa s LEU 81 CO 0.41 -2.22 0.00 0.61 -1.06 0.00 0.00 176.35 174.09 1upa n GLY 82 N -1.80 2.51 0.22 -3.48 0.00 -1.11 -2.28 105.19 99.25 1upa n GLY 82 Ca 0.07 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1upa n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upa h PRO 83 N 0.00 0.00 0.00 1.61 0.13 -1.86 -2.51 132.00 129.37 1upa h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1upa h PRO 83 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1upa h PRO 83 CO 0.00 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.41 1upa n GLY 84 N 0.21 0.00 0.00 1.56 0.00 -0.96 -1.38 105.19 104.61 1upa n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1upa n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upa n THR 86 N -0.11 0.00 -0.18 2.61 -2.24 -0.95 -1.32 114.28 112.09 1upa n THR 86 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1upa n THR 86 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1upa n THR 86 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1upa h ASN 87 N 0.00 0.86 0.28 3.42 4.21 -1.51 -2.57 115.58 120.26 1upa h ASN 87 Ca 0.00 -0.28 -0.03 0.00 1.21 0.00 0.00 56.30 57.20 1upa h ASN 87 Cb 0.00 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 36.97 1upa h ASN 87 CO 0.00 0.93 -0.15 0.25 -1.29 0.00 0.00 177.43 177.16 1upa h LEU 88 N 0.76 0.00 -1.89 1.61 6.46 -1.45 -3.22 115.31 117.58 1upa h LEU 88 Ca 0.15 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1upa h LEU 88 Cb 0.45 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1upa h LEU 88 CO 0.02 0.15 -0.12 0.77 -0.62 0.00 0.00 178.44 178.64 1upa h SER 89 N 0.00 0.00 0.39 1.25 4.64 -1.73 0.44 113.55 118.54 1upa h SER 89 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1upa h SER 89 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1upa h SER 89 CO 0.02 0.12 -0.49 0.74 -0.87 0.00 0.00 176.83 176.35 1upa h THR 90 N 0.00 1.35 -0.29 2.95 2.02 -1.67 0.11 112.91 117.38 1upa h THR 90 Ca -0.00 -1.69 -0.13 0.00 0.77 0.00 0.00 66.41 65.36 1upa h THR 90 Cb 0.34 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1upa h THR 90 CO 0.02 0.49 -0.32 1.23 0.37 0.00 0.00 175.52 177.31 1upa h GLY 91 N 1.40 0.80 0.83 2.16 0.00 -1.18 -2.19 103.07 104.89 1upa h GLY 91 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 47.33 46.53 1upa h GLY 91 CO 0.07 0.75 0.27 -2.22 0.00 0.00 0.00 176.54 175.41 1upa h ILE 92 N 0.48 1.01 -0.96 2.60 2.04 -0.78 -1.74 117.51 120.17 1upa h ILE 92 Ca 0.04 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1upa h ILE 92 Cb 0.90 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1upa h ILE 92 CO 0.08 0.10 0.63 0.00 0.00 0.00 0.00 178.15 178.96 1upa h ALA 93 N 1.23 1.36 -0.55 1.87 0.00 -0.74 0.09 119.26 122.52 1upa h ALA 93 Ca 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1upa h ALA 93 Cb 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1upa h ALA 93 CO -0.11 0.56 0.36 1.15 0.00 0.00 0.00 179.25 181.20 1upa h THR 94 N 1.24 1.12 -0.29 0.00 2.02 -0.98 -1.66 112.91 114.35 1upa h THR 94 Ca 0.37 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 67.17 1upa h THR 94 Cb -0.04 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1upa h THR 94 CO -0.10 0.13 -0.37 -1.28 0.37 0.00 0.00 175.52 174.26 1upa h SER 95 N 0.72 0.70 0.45 4.18 0.87 -0.19 0.96 113.55 121.24 1upa h SER 95 Ca 0.21 -0.30 -0.19 0.00 -1.23 0.00 0.00 61.79 60.27 1upa h SER 95 Cb -0.05 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1upa h SER 95 CO -0.06 1.00 -0.82 1.62 -0.53 0.00 0.00 176.83 178.03 1upa h VAL 96 N 0.55 1.44 0.13 2.23 3.04 -0.84 -1.04 116.25 121.77 1upa h VAL 96 Ca 0.05 -2.41 -0.34 0.00 -1.01 0.00 0.00 66.70 62.99 1upa h VAL 96 Cb 0.89 2.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.49 1upa h VAL 96 CO 0.08 0.71 -1.77 -0.07 -1.01 0.00 0.00 177.57 175.51 1upa h LEU 97 N 0.17 0.44 0.00 3.16 3.38 -1.29 -3.35 115.31 117.83 1upa h LEU 97 Ca -0.04 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1upa h LEU 97 Cb 1.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1upa h LEU 97 CO 0.13 1.65 -0.17 0.44 0.09 0.00 0.00 178.44 180.58 1upa h ASP 98 N 0.08 0.00 -3.99 -0.43 3.32 -0.89 -3.40 116.42 111.11 1upa h ASP 98 Ca -0.34 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1upa h ASP 98 Cb 2.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.60 1upa h ASP 98 CO 0.14 0.03 -0.34 0.54 -1.72 0.00 0.00 179.24 177.89 1upa n ARG 99 N -2.26 -1.33 -3.84 3.56 5.12 -0.45 -4.93 116.66 112.53 1upa n ARG 99 Ca 0.05 1.39 -0.12 0.00 -1.93 0.00 0.00 57.85 57.23 1upa n ARG 99 Cb 0.44 -3.19 -0.13 0.00 -1.16 0.00 0.00 32.46 28.42 1upa n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upa s SER 100 N -1.24 -0.10 -0.94 0.55 1.04 -0.85 -4.83 113.70 107.33 1upa s SER 100 Ca 0.06 0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.44 1upa s SER 100 Cb -0.02 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.35 1upa s SER 100 CO 0.35 -0.03 1.40 -2.16 0.98 0.00 0.00 173.24 173.78 1upa s PRO 101 N 0.05 3.48 -0.11 4.02 0.04 -1.26 -3.11 135.00 138.12 1upa s PRO 101 Ca -0.00 -0.88 0.02 0.00 0.04 0.00 0.00 61.00 60.18 1upa s PRO 101 Cb -0.01 -5.03 -0.01 0.00 0.04 0.00 0.00 34.50 29.49 1upa s PRO 101 CO 0.00 -2.19 -0.19 0.08 0.04 0.00 0.00 177.00 174.74 1upa s VAL 102 N 5.18 2.55 -0.48 -0.36 1.01 -1.18 -2.36 120.40 124.77 1upa s VAL 102 Ca 0.43 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1upa s VAL 102 Cb -0.02 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1upa s VAL 102 CO -0.03 0.55 0.57 -0.63 0.00 0.00 0.00 175.10 175.56 1upa s ILE 103 N 0.24 4.94 -0.11 2.22 -1.09 0.34 -0.69 121.20 127.05 1upa s ILE 103 Ca -0.12 -0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 57.72 1upa s ILE 103 Cb -0.16 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1upa s ILE 103 CO 0.07 -0.68 0.38 0.00 -1.23 0.00 0.00 174.94 173.48 1upa s ALA 104 N 2.47 3.58 -0.05 9.38 0.00 0.57 -1.72 121.76 135.99 1upa s ALA 104 Ca 0.15 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1upa s ALA 104 Cb -0.18 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1upa s ALA 104 CO 0.13 0.15 -0.14 -0.51 0.00 0.00 0.00 175.76 175.39 1upa s LEU 105 N 0.18 1.79 -0.00 0.00 1.43 -0.46 -1.35 118.68 120.27 1upa s LEU 105 Ca 0.21 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1upa s LEU 105 Cb -0.14 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 1upa s LEU 105 CO 0.08 0.09 0.03 0.00 0.23 0.00 0.00 176.35 176.78 1upa s ALA 106 N 0.33 -0.06 0.88 4.21 0.00 -0.79 -1.14 121.76 125.18 1upa s ALA 106 Ca -0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1upa s ALA 106 Cb -0.13 0.00 0.12 0.00 0.00 0.00 0.00 23.12 23.11 1upa s ALA 106 CO 0.03 -0.07 1.10 0.00 0.00 0.00 0.00 175.76 176.81 1upa s ALA 107 N -0.48 1.75 0.11 0.00 0.00 -0.65 -0.56 121.76 121.93 1upa s ALA 107 Ca -0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 1upa s ALA 107 Cb -0.03 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1upa s ALA 107 CO -0.00 -2.18 0.18 -1.14 0.00 0.00 0.00 175.76 172.62 1upa s GLN 108 N -5.06 0.92 0.66 0.00 2.00 -0.50 -3.11 119.66 114.57 1upa s GLN 108 Ca 0.63 -1.09 -0.17 0.00 -2.00 0.00 0.00 55.36 52.73 1upa s GLN 108 Cb -0.16 0.33 -0.05 0.00 0.80 0.00 0.00 33.01 33.92 1upa s GLN 108 CO 0.56 -0.30 0.60 0.43 -0.50 0.00 0.00 175.29 176.08 1upa n SER 109 N -0.09 -0.81 -4.50 6.67 7.64 -1.26 -1.76 113.62 119.50 1upa n SER 109 Ca -0.12 0.67 -0.51 0.00 1.01 0.00 0.00 58.87 59.92 1upa n SER 109 Cb 0.63 -1.23 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 1upa n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1upa n GLU 110 N -0.60 0.52 -0.32 1.43 4.71 -1.26 -4.00 120.64 121.11 1upa n GLU 110 Ca 0.11 0.18 0.18 0.00 -0.01 0.00 0.00 57.16 57.62 1upa n GLU 110 Cb 0.49 -1.52 0.42 0.00 -1.01 0.00 0.00 31.44 29.82 1upa n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1upa h SER 111 N 2.43 0.61 0.53 1.62 4.64 -1.90 0.33 113.55 121.80 1upa h SER 111 Ca -0.40 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1upa h SER 111 Cb 1.40 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1upa h SER 111 CO 0.64 0.18 -0.05 0.00 -0.87 0.00 0.00 176.83 176.73 1upa n HIS 112 N -4.70 0.00 -0.83 4.77 1.44 -1.26 -3.53 115.22 111.12 1upa n HIS 112 Ca 0.24 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.02 1upa n HIS 112 Cb 0.71 -0.26 0.10 0.00 0.12 0.00 0.00 29.99 30.66 1upa n HIS 112 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1upa n ASP 113 N -1.20 2.20 -4.56 4.39 2.03 0.09 -4.97 116.55 114.52 1upa n ASP 113 Ca 0.14 -2.79 -0.41 0.00 0.52 0.00 0.00 54.79 52.25 1upa n ASP 113 Cb 0.26 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 1upa n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1upa s ILE 114 N -2.34 3.74 -0.42 5.18 1.01 -1.11 -4.75 121.20 122.50 1upa s ILE 114 Ca 0.23 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.40 1upa s ILE 114 Cb 0.20 -4.75 0.14 0.00 0.01 0.00 0.00 42.46 38.07 1upa s ILE 114 CO 0.02 -1.61 0.25 -0.36 0.00 0.00 0.00 174.94 173.24 1upa s PHE 115 N 5.95 1.62 0.22 3.97 0.08 -1.26 -5.05 117.98 123.51 1upa s PHE 115 Ca 0.41 -2.23 -0.32 0.00 0.12 0.00 0.00 56.93 54.91 1upa s PHE 115 Cb -0.09 -1.56 -0.13 0.00 -0.57 0.00 0.00 43.02 40.67 1upa s PHE 115 CO 0.18 -0.79 1.46 -2.30 -0.10 0.00 0.00 175.22 173.68 1upa n PRO 116 N 3.55 2.10 -1.07 0.24 -0.02 -1.26 -1.19 135.00 137.34 1upa n PRO 116 Ca 0.12 0.75 -0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1upa n PRO 116 Cb 0.36 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1upa n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upa n ASN 117 N 2.50 -4.24 0.01 2.55 3.02 0.05 -4.74 115.26 114.41 1upa n ASN 117 Ca 0.13 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1upa n ASN 117 Cb 0.31 -1.96 0.00 0.00 -0.61 0.00 0.00 39.78 37.52 1upa n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upa n ASP 118 N -0.16 0.03 -4.77 6.41 8.00 -0.56 -5.05 116.55 120.46 1upa n ASP 118 Ca -0.03 0.03 -0.39 0.00 0.71 0.00 0.00 54.79 55.12 1upa n ASP 118 Cb 0.24 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1upa n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upa s THR 119 N -2.00 2.70 -0.09 -3.53 2.01 -0.33 -4.92 115.64 109.48 1upa s THR 119 Ca 0.00 0.62 -0.36 0.00 0.31 0.00 0.00 61.69 62.26 1upa s THR 119 Cb 0.00 -3.36 -0.13 0.00 0.01 0.00 0.00 72.50 69.02 1upa s THR 119 CO 0.00 0.09 1.78 1.57 -0.69 0.00 0.00 174.62 177.37 1upa n HIS 120 N 0.13 2.22 -1.28 4.92 -0.00 -1.26 -1.74 115.22 118.20 1upa n HIS 120 Ca 0.04 0.18 -0.10 0.00 0.46 0.00 0.00 57.72 58.30 1upa n HIS 120 Cb 0.44 -2.59 -0.04 0.00 -0.12 0.00 0.00 29.99 27.68 1upa n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upa n GLN 121 N 5.70 -1.24 -3.52 1.57 6.02 -1.26 -4.96 117.38 119.68 1upa n GLN 121 Ca 0.22 0.79 -0.41 0.00 -0.01 0.00 0.00 57.00 57.60 1upa n GLN 121 Cb 0.25 -4.94 -0.10 0.00 1.02 0.00 0.00 30.24 26.47 1upa n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upa s LEU 123 N 1.69 2.83 -1.18 0.00 1.43 -1.26 -0.77 118.68 121.42 1upa s LEU 123 Ca 0.05 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 1upa s LEU 123 Cb -0.18 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1upa s LEU 123 CO 0.10 0.13 1.90 -0.67 0.23 0.00 0.00 176.35 178.04 1upa n ASP 124 N 0.29 3.61 -0.17 2.29 -0.08 -1.26 -4.81 116.55 116.42 1upa n ASP 124 Ca -0.12 -2.77 -0.04 0.00 -1.51 0.00 0.00 54.79 50.34 1upa n ASP 124 Cb 0.55 -1.64 0.06 0.00 2.34 0.00 0.00 41.12 42.43 1upa n ASP 124 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1upa h SER 125 N 8.44 0.36 -0.55 1.67 0.02 -1.98 -2.08 113.55 119.42 1upa h SER 125 Ca 0.35 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1upa h SER 125 Cb 0.85 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1upa h SER 125 CO 1.47 0.24 0.33 0.58 -1.14 0.00 0.00 176.83 178.32 1upa h VAL 126 N 0.49 1.17 -0.36 2.27 2.07 -1.92 -0.83 116.25 119.15 1upa h VAL 126 Ca 0.23 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1upa h VAL 126 Cb 0.16 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1upa h VAL 126 CO -0.17 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.58 1upa h ALA 127 N 1.16 1.30 -0.10 1.67 0.00 -1.87 0.93 119.26 122.36 1upa h ALA 127 Ca 0.20 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1upa h ALA 127 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1upa h ALA 127 CO -0.04 0.47 -0.76 0.82 0.00 0.00 0.00 179.25 179.75 1upa h ILE 128 N 0.54 1.35 0.00 0.00 2.04 -0.81 -3.34 117.51 117.28 1upa h ILE 128 Ca 0.11 -2.10 -0.06 0.00 1.00 0.00 0.00 64.86 63.81 1upa h ILE 128 Cb 0.37 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1upa h ILE 128 CO 0.01 0.64 -1.76 0.52 0.00 0.00 0.00 178.15 177.56 1upa n VAL 129 N -3.86 0.42 -0.31 1.67 0.31 -0.37 -4.43 118.33 111.75 1upa n VAL 129 Ca -0.05 -0.57 0.08 0.00 -0.01 0.00 0.00 64.34 63.78 1upa n VAL 129 Cb 0.73 -0.20 0.29 0.00 -0.91 0.00 0.00 33.84 33.74 1upa n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1upa h ALA 130 N 1.83 1.62 0.00 3.52 0.00 -0.93 -2.89 119.26 122.41 1upa h ALA 130 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1upa h ALA 130 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1upa h ALA 130 CO 0.01 0.16 0.00 -2.30 0.00 0.00 0.00 179.25 177.12 1upa n PRO 131 N -4.56 0.57 -0.33 0.00 -0.02 -1.26 -4.75 135.00 124.64 1upa n PRO 131 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1upa n PRO 131 Cb 0.35 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1upa n PRO 131 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1upa n SER 133 N 1.26 0.00 0.11 2.55 3.41 -1.09 -5.18 113.62 114.67 1upa n SER 133 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1upa n SER 133 Cb 0.29 -0.99 0.25 0.00 -0.26 0.00 0.00 64.21 63.50 1upa n SER 133 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1upa h LYS 134 N -0.66 0.00 -1.24 4.33 1.79 -1.21 -3.47 116.57 116.12 1upa h LYS 134 Ca 0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 1upa h LYS 134 Cb 0.50 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.84 1upa h LYS 134 CO 0.00 0.00 0.70 -0.47 -1.08 0.00 0.00 179.45 178.60 1upa s TYR 135 N -3.17 -0.21 -0.16 -1.35 5.04 -1.26 -4.90 117.35 111.35 1upa s TYR 135 Ca 0.08 0.47 -0.08 0.00 -2.44 0.00 0.00 57.07 55.10 1upa s TYR 135 Cb 0.11 0.33 0.06 0.00 0.35 0.00 0.00 41.96 42.81 1upa s TYR 135 CO 0.67 -0.10 0.37 0.00 -1.34 0.00 0.00 175.55 175.15 1upa s ALA 136 N 0.51 -0.95 0.08 3.97 0.00 -1.26 -0.22 121.76 123.90 1upa s ALA 136 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 1upa s ALA 136 Cb -0.04 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.21 1upa s ALA 136 CO -0.12 -0.32 0.47 0.54 0.00 0.00 0.00 175.76 176.32 1upa s VAL 137 N 1.54 0.05 -0.12 0.00 0.11 -0.70 -4.98 120.40 116.29 1upa s VAL 137 Ca -0.08 -0.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1upa s VAL 137 Cb -0.09 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1upa s VAL 137 CO -0.12 -0.21 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.63 1upa s GLU 138 N -3.05 3.30 0.19 1.54 2.12 -1.26 -0.49 118.70 121.05 1upa s GLU 138 Ca -0.02 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 54.33 1upa s GLU 138 Cb 0.00 -2.63 -0.10 0.00 0.26 0.00 0.00 34.13 31.66 1upa s GLU 138 CO -0.07 0.28 1.58 -1.17 -0.54 0.00 0.00 175.26 175.34 1upa s LEU 139 N 0.19 4.37 -0.01 2.70 2.96 -0.00 -4.91 118.68 123.98 1upa s LEU 139 Ca -0.07 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 1upa s LEU 139 Cb -0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1upa s LEU 139 CO 0.05 -0.84 -0.01 0.00 -1.32 0.00 0.00 176.35 174.23 1upa n GLN 140 N 3.69 1.49 -3.94 1.98 6.02 -1.26 -4.60 117.38 120.75 1upa n GLN 140 Ca 0.13 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.84 1upa n GLN 140 Cb 0.38 -1.03 -0.16 0.00 1.02 0.00 0.00 30.24 30.45 1upa n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1upa s ARG 141 N -2.03 1.78 0.25 -1.09 0.52 -1.26 -5.06 118.95 112.05 1upa s ARG 141 Ca -0.02 -0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 54.53 1upa s ARG 141 Cb 0.00 -2.02 0.33 0.00 0.52 0.00 0.00 34.95 33.79 1upa s ARG 141 CO 0.04 -0.35 1.56 -1.35 0.02 0.00 0.00 175.30 175.23 1upa h PRO 142 N 8.09 -0.01 0.00 3.54 0.11 -1.84 -0.82 132.00 141.06 1upa h PRO 142 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1upa h PRO 142 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1upa h PRO 142 CO 0.45 -0.01 -0.01 1.12 -0.21 0.00 0.00 178.00 179.34 1upa h HIS 143 N -0.01 0.00 0.00 0.65 2.07 -1.85 -2.48 115.15 113.52 1upa h HIS 143 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 1upa h HIS 143 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1upa h HIS 143 CO -0.78 0.01 0.00 0.39 -3.07 0.00 0.00 177.93 174.48 1upa n GLU 144 N -3.12 0.11 0.04 5.12 1.02 -0.31 -3.54 120.64 119.96 1upa n GLU 144 Ca -0.02 0.17 0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1upa n GLU 144 Cb 0.16 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 30.69 1upa n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upa h ILE 145 N 0.00 0.87 -0.15 -3.67 6.09 -1.59 -1.17 117.51 117.89 1upa h ILE 145 Ca 0.00 -0.06 -0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1upa h ILE 145 Cb 0.24 0.70 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 1upa h ILE 145 CO 0.00 0.03 0.08 0.74 -3.07 0.00 0.00 178.15 175.93 1upa h THR 146 N 0.16 1.12 0.00 2.19 2.02 -1.83 -0.99 112.91 115.57 1upa h THR 146 Ca 0.19 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 1upa h THR 146 Cb 0.55 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1upa h THR 146 CO -0.03 0.11 -0.58 -2.24 0.37 0.00 0.00 175.52 173.15 1upa h ASP 147 N 0.13 0.00 -0.52 4.18 3.04 -1.60 -2.30 116.42 119.35 1upa h ASP 147 Ca 0.05 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.76 1upa h ASP 147 Cb 0.11 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.38 1upa h ASP 147 CO -0.01 0.58 -0.01 -0.07 -2.04 0.00 0.00 179.24 177.69 1upa h LEU 148 N 0.00 0.91 -0.73 0.15 3.38 -1.05 0.11 115.31 118.09 1upa h LEU 148 Ca -0.01 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1upa h LEU 148 Cb 1.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1upa h LEU 148 CO 0.08 1.00 0.15 0.58 0.09 0.00 0.00 178.44 180.33 1upa h VAL 149 N 0.80 1.26 -0.30 1.22 2.07 -1.13 -0.28 116.25 119.88 1upa h VAL 149 Ca 0.15 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1upa h VAL 149 Cb 0.54 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1upa h VAL 149 CO 0.03 0.38 0.05 0.44 0.02 0.00 0.00 177.57 178.49 1upa h ASP 150 N 1.05 0.48 -0.35 0.57 3.32 -0.98 -0.80 116.42 119.70 1upa h ASP 150 Ca 0.21 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1upa h ASP 150 Cb 0.40 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1upa h ASP 150 CO 0.01 0.62 0.02 0.28 -1.72 0.00 0.00 179.24 178.45 1upa h SER 151 N 0.33 0.66 0.05 6.45 0.02 -0.87 -0.37 113.55 119.81 1upa h SER 151 Ca 0.09 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1upa h SER 151 Cb 0.34 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1upa h SER 151 CO 0.01 0.72 -0.02 0.00 -1.14 0.00 0.00 176.83 176.39 1upa h ALA 152 N 1.36 -0.06 -0.58 3.77 0.00 -0.87 -1.66 119.26 121.21 1upa h ALA 152 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1upa h ALA 152 Cb 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1upa h ALA 152 CO 0.01 -0.48 0.37 0.28 0.00 0.00 0.00 179.25 179.43 1upa h VAL 153 N -0.16 1.16 -0.68 0.00 2.07 -0.93 -0.66 116.25 117.04 1upa h VAL 153 Ca -0.01 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1upa h VAL 153 Cb 0.14 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1upa h VAL 153 CO 0.01 0.16 0.36 0.78 0.02 0.00 0.00 177.57 178.90 1upa h ASN 154 N 0.79 0.51 0.82 0.57 2.35 -0.91 -2.71 115.58 117.00 1upa h ASN 154 Ca 0.21 0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.80 1upa h ASN 154 Cb -0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1upa h ASN 154 CO -0.04 0.31 -0.94 0.00 -1.65 0.00 0.00 177.43 175.11 1upa h ALA 155 N 1.38 0.46 0.00 -0.83 0.00 -1.05 -3.22 119.26 115.99 1upa h ALA 155 Ca 0.32 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1upa h ALA 155 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1upa h ALA 155 CO -0.22 1.08 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1upa n ALA 156 N -2.40 2.02 -1.38 0.00 0.00 -0.28 -4.68 120.51 113.78 1upa n ALA 156 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1upa n ALA 156 Cb 0.87 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1upa n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1upa n THR 158 N 0.93 -0.47 -2.10 0.00 -1.04 -1.22 -2.08 114.28 108.29 1upa n THR 158 Ca 0.00 0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.82 1upa n THR 158 Cb 0.21 -0.29 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 1upa n THR 158 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1upa s GLU 159 N -1.71 4.32 -0.02 -2.82 0.41 0.45 -2.52 118.70 116.81 1upa s GLU 159 Ca 0.00 2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 56.49 1upa s GLU 159 Cb 0.00 -3.05 -0.05 0.00 -1.78 0.00 0.00 34.13 29.25 1upa s GLU 159 CO 0.00 -0.22 1.32 -1.25 -0.49 0.00 0.00 175.26 174.63 1upa s PRO 160 N -1.83 4.31 0.72 0.39 0.04 -1.26 -4.84 135.00 132.52 1upa s PRO 160 Ca 0.49 1.85 -0.15 0.00 0.04 0.00 0.00 61.00 63.24 1upa s PRO 160 Cb -0.40 -3.57 0.04 0.00 0.04 0.00 0.00 34.50 30.61 1upa s PRO 160 CO 0.53 -0.53 1.21 0.14 0.04 0.00 0.00 177.00 178.39 1upa s VAL 161 N 2.34 2.33 -0.01 -0.36 -7.23 -1.05 -4.97 120.40 111.45 1upa s VAL 161 Ca 0.61 0.16 -0.08 0.00 -1.81 0.00 0.00 61.98 60.86 1upa s VAL 161 Cb -0.29 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 33.93 1upa s VAL 161 CO 0.25 -0.08 0.35 0.61 -0.31 0.00 0.00 175.10 175.91 1upa n GLY 162 N 0.39 0.52 3.79 2.32 0.00 -0.89 -3.58 105.19 107.73 1upa n GLY 162 Ca 0.13 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1upa n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upa s PRO 163 N -2.00 4.48 -0.03 1.61 0.04 -1.22 -3.13 135.00 134.74 1upa s PRO 163 Ca 0.08 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.25 1upa s PRO 163 Cb -0.00 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1upa s PRO 163 CO -0.00 0.50 -0.13 -1.12 0.04 0.00 0.00 177.00 176.29 1upa s SER 164 N -1.32 4.13 -0.08 6.66 0.01 0.13 -0.70 113.70 122.55 1upa s SER 164 Ca 0.39 -0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1upa s SER 164 Cb -0.21 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.14 1upa s SER 164 CO 0.25 0.33 -0.24 0.12 0.41 0.00 0.00 173.24 174.10 1upa s PHE 165 N -0.80 2.50 -0.12 2.43 5.36 0.69 -0.32 117.98 127.73 1upa s PHE 165 Ca 0.13 -0.89 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 1upa s PHE 165 Cb -0.11 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1upa s PHE 165 CO 0.02 -0.32 -0.13 0.42 -1.46 0.00 0.00 175.22 173.75 1upa s ILE 166 N 0.10 1.36 -0.11 3.12 1.01 -0.46 -1.72 121.20 124.50 1upa s ILE 166 Ca -0.12 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 1upa s ILE 166 Cb -0.16 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1upa s ILE 166 CO 0.06 0.42 0.41 -0.55 0.00 0.00 0.00 174.94 175.29 1upa s SER 167 N 1.29 6.64 -0.47 3.58 0.15 0.36 -1.88 113.70 123.37 1upa s SER 167 Ca -0.01 0.76 0.03 0.00 0.70 0.00 0.00 55.95 57.43 1upa s SER 167 Cb -0.14 -2.25 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 1upa s SER 167 CO -0.05 0.09 0.23 -0.76 1.20 0.00 0.00 173.24 173.94 1upa s LEU 168 N 0.27 3.59 0.16 3.45 1.43 0.27 -0.82 118.68 127.03 1upa s LEU 168 Ca 0.23 -2.74 -0.34 0.00 -1.03 0.00 0.00 54.13 50.25 1upa s LEU 168 Cb -0.15 -1.36 -0.14 0.00 0.03 0.00 0.00 46.19 44.57 1upa s LEU 168 CO 0.09 -0.26 1.49 -2.65 0.23 0.00 0.00 176.35 175.25 1upa n PRO 169 N 3.44 1.91 0.16 1.29 -0.02 -1.26 -1.41 135.00 139.11 1upa n PRO 169 Ca 0.06 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1upa n PRO 169 Cb 0.34 -2.41 0.43 0.00 -0.02 0.00 0.00 33.50 31.85 1upa n PRO 169 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1upa h VAL 170 N 3.45 1.16 -0.52 -1.45 -1.51 -1.48 -1.41 116.25 114.50 1upa h VAL 170 Ca -0.45 -0.75 -0.07 0.00 -1.23 0.00 0.00 66.70 64.20 1upa h VAL 170 Cb 1.28 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 1upa h VAL 170 CO 0.84 0.23 0.07 -2.24 -1.23 0.00 0.00 177.57 175.23 1upa h ASP 171 N 0.12 0.84 -0.05 4.19 2.03 -1.87 -2.60 116.42 119.08 1upa h ASP 171 Ca 0.02 -0.27 -0.18 0.00 -0.73 0.00 0.00 57.03 55.88 1upa h ASP 171 Cb 0.37 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1upa h ASP 171 CO 0.02 0.90 -0.59 -0.07 -1.03 0.00 0.00 179.24 178.47 1upa h LEU 172 N 0.75 0.73 -1.32 0.15 3.38 -1.70 -2.84 115.31 114.46 1upa h LEU 172 Ca 0.16 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1upa h LEU 172 Cb 0.43 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1upa h LEU 172 CO 0.01 1.15 0.48 0.25 0.09 0.00 0.00 178.44 180.43 1upa h LEU 173 N 0.49 0.76 -2.42 1.67 5.85 -1.26 -2.51 115.31 117.89 1upa h LEU 173 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1upa h LEU 173 Cb 1.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1upa h LEU 173 CO 0.12 0.53 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 1upa n GLY 174 N -1.43 2.04 3.83 3.75 0.00 -0.98 -1.34 105.19 111.06 1upa n GLY 174 Ca 0.09 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1upa n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upa s SER 175 N -0.81 5.85 0.00 1.61 0.15 -0.95 -4.84 113.70 114.71 1upa s SER 175 Ca 0.39 0.11 0.11 0.00 0.70 0.00 0.00 55.95 57.26 1upa s SER 175 Cb 0.24 -1.67 0.18 0.00 -1.71 0.00 0.00 66.02 63.06 1upa s SER 175 CO 0.19 0.18 1.01 -1.54 1.20 0.00 0.00 173.24 174.28 1upa n SER 176 N 0.43 2.34 -4.68 5.45 3.41 -1.26 -1.51 113.62 117.80 1upa n SER 176 Ca -0.07 -1.67 -0.46 0.00 -0.26 0.00 0.00 58.87 56.40 1upa n SER 176 Cb 0.51 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1upa n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1upa n GLU 177 N 0.62 2.38 -0.43 4.33 4.71 -1.26 -1.81 120.64 129.18 1upa n GLU 177 Ca 0.09 0.87 0.00 0.00 -0.01 0.00 0.00 57.16 58.11 1upa n GLU 177 Cb 0.34 -2.74 0.00 0.00 -1.01 0.00 0.00 31.44 28.03 1upa n GLU 177 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upa n GLY 178 N 4.37 1.20 3.55 0.62 0.00 -1.26 -4.08 105.19 109.59 1upa n GLY 178 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1upa n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upa s ILE 179 N -3.07 5.08 -0.07 -0.61 1.01 -0.75 -4.73 121.20 118.06 1upa s ILE 179 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 1upa s ILE 179 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1upa s ILE 179 CO 0.00 -0.15 -0.14 0.47 0.00 0.00 0.00 174.94 175.11 1upa n ASP 180 N 5.59 0.86 0.00 3.58 10.43 -1.26 -5.03 116.55 130.72 1upa n ASP 180 Ca -0.06 0.14 0.00 0.00 2.57 0.00 0.00 54.79 57.44 1upa n ASP 180 Cb 0.49 -0.55 0.00 0.00 1.84 0.00 0.00 41.12 42.90 1upa n ASP 180 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1upa n PRO 186 N -3.36 0.00 -1.81 -0.24 -0.04 -1.26 -5.22 135.00 123.07 1upa n PRO 186 Ca -0.06 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 1upa n PRO 186 Cb 0.21 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.70 1upa n PRO 186 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1upa s PRO 187 N -2.81 3.35 0.08 0.54 0.02 -1.26 -4.94 135.00 129.98 1upa s PRO 187 Ca 0.00 2.27 -0.13 0.00 0.02 0.00 0.00 61.00 63.17 1upa s PRO 187 Cb 0.00 -2.40 -0.21 0.00 0.02 0.00 0.00 34.50 31.92 1upa s PRO 187 CO 0.00 -1.04 1.22 0.00 -0.33 0.00 0.00 177.00 176.85 1upa h ALA 188 N 1.77 0.18 -5.92 -1.55 0.00 -1.99 -3.49 119.26 108.26 1upa h ALA 188 Ca -0.51 -0.68 -0.36 0.00 0.00 0.00 0.00 54.91 53.36 1upa h ALA 188 Cb 1.29 0.04 0.13 0.00 0.00 0.00 0.00 17.79 19.25 1upa h ALA 188 CO 0.59 0.70 -0.90 0.09 0.00 0.00 0.00 179.25 179.72 1upa n ASN 189 N -3.86 -5.61 -4.70 0.00 3.02 -1.26 -4.91 115.26 97.94 1upa n ASN 189 Ca -0.10 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1upa n ASN 189 Cb 0.86 -4.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.89 1upa n ASN 189 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1upa s THR 190 N -3.45 4.35 0.25 3.41 2.01 -1.26 -4.98 115.64 115.98 1upa s THR 190 Ca 0.45 1.67 -0.31 0.00 0.31 0.00 0.00 61.69 63.81 1upa s THR 190 Cb -0.12 -4.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.19 1upa s THR 190 CO 0.81 0.05 1.49 -2.65 -0.69 0.00 0.00 174.62 173.64 1upa n PRO 191 N 4.67 2.30 0.12 4.92 -0.02 -1.26 -4.88 135.00 140.85 1upa n PRO 191 Ca 0.09 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.38 1upa n PRO 191 Cb 0.47 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1upa n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upa h ALA 192 N 4.61 0.69 -2.34 3.55 0.00 -1.94 -3.45 119.26 120.38 1upa h ALA 192 Ca -0.46 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 53.72 1upa h ALA 192 Cb 1.25 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 1upa h ALA 192 CO 0.78 0.85 -0.58 -1.59 0.00 0.00 0.00 179.25 178.71 1upa s LYS 193 N -3.14 0.72 0.27 0.00 -2.85 -1.26 -4.97 119.74 108.51 1upa s LYS 193 Ca 0.01 -1.17 -0.30 0.00 -1.00 0.00 0.00 55.97 53.51 1upa s LYS 193 Cb 0.10 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 35.99 1upa s LYS 193 CO 0.76 -0.18 1.31 -2.30 0.10 0.00 0.00 175.35 175.05 1upa n PRO 194 N 0.04 1.94 -2.15 1.78 -0.02 -1.26 -4.97 135.00 130.35 1upa n PRO 194 Ca -0.13 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 1upa n PRO 194 Cb 0.62 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1upa n PRO 194 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upa s VAL 195 N -0.49 2.84 0.27 -1.45 1.01 -1.26 -4.87 120.40 116.45 1upa s VAL 195 Ca 0.64 0.71 0.06 0.00 0.00 0.00 0.00 61.98 63.38 1upa s VAL 195 Cb -0.64 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1upa s VAL 195 CO 0.55 0.07 0.21 0.61 0.00 0.00 0.00 175.10 176.54 1upa n GLY 196 N 0.64 3.18 3.90 4.51 0.00 -1.26 -0.41 105.19 115.75 1upa n GLY 196 Ca 0.05 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 1upa n GLY 196 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upa s VAL 197 N -3.03 4.97 -0.08 1.61 -7.23 -0.48 -4.95 120.40 111.20 1upa s VAL 197 Ca 0.29 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1upa s VAL 197 Cb 0.01 -3.64 0.05 0.00 0.56 0.00 0.00 36.38 33.36 1upa s VAL 197 CO 0.21 -0.25 0.16 -0.69 -0.31 0.00 0.00 175.10 174.22 1upa s VAL 198 N -1.94 -0.24 0.12 1.32 1.01 -1.26 -3.71 120.40 115.70 1upa s VAL 198 Ca 0.33 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.41 1upa s VAL 198 Cb -0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 1upa s VAL 198 CO 0.27 0.14 0.73 0.00 0.00 0.00 0.00 175.10 176.24 1upa s ALA 199 N 2.18 3.46 0.29 5.51 0.00 0.20 -4.98 121.76 128.41 1upa s ALA 199 Ca 0.02 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 1upa s ALA 199 Cb -0.12 -2.90 -0.13 0.00 0.00 0.00 0.00 23.12 19.97 1upa s ALA 199 CO -0.06 0.25 1.36 -3.47 0.00 0.00 0.00 175.76 173.85 1upa n ASP 200 N 1.94 2.82 -0.18 0.00 2.03 -1.26 -2.67 116.55 119.23 1upa n ASP 200 Ca -0.06 1.17 -0.02 0.00 0.52 0.00 0.00 54.79 56.41 1upa n ASP 200 Cb 0.49 -1.46 -0.01 0.00 -0.72 0.00 0.00 41.12 39.42 1upa n ASP 200 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1upa n GLY 201 N 1.50 0.47 0.17 0.27 0.00 -1.26 -4.94 105.19 101.41 1upa n GLY 201 Ca 0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1upa n GLY 201 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1upa h TRP 202 N 0.00 0.50 -0.39 1.61 5.08 -1.83 -2.55 115.95 118.36 1upa h TRP 202 Ca -0.04 -0.22 0.06 0.00 1.08 0.00 0.00 58.89 59.77 1upa h TRP 202 Cb 0.36 -0.08 -0.05 0.00 -3.00 0.00 0.00 29.16 26.40 1upa h TRP 202 CO 0.06 0.96 0.09 1.96 -1.28 0.00 0.00 178.44 180.23 1upa h GLN 203 N 0.25 0.22 -0.76 0.12 7.50 -1.92 0.46 115.11 120.98 1upa h GLN 203 Ca -0.03 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.08 1upa h GLN 203 Cb 1.28 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.73 1upa h GLN 203 CO 0.12 0.14 0.35 -0.22 -1.50 0.00 0.00 178.83 177.72 1upa h LYS 204 N 0.22 1.09 -0.57 1.46 3.64 -1.95 -1.11 116.57 119.36 1upa h LYS 204 Ca 0.19 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1upa h LYS 204 Cb 0.22 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1upa h LYS 204 CO -0.24 0.85 -0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1upa h ALA 205 N 1.30 0.77 -0.74 5.00 0.00 -0.89 -1.72 119.26 122.98 1upa h ALA 205 Ca 0.26 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1upa h ALA 205 Cb 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1upa h ALA 205 CO -0.03 0.60 0.49 0.00 0.00 0.00 0.00 179.25 180.31 1upa h ALA 206 N 0.97 1.55 -0.13 0.00 0.00 0.39 -0.71 119.26 121.32 1upa h ALA 206 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1upa h ALA 206 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1upa h ALA 206 CO 0.03 0.38 -0.52 -0.44 0.00 0.00 0.00 179.25 178.70 1upa h ASP 207 N 0.92 0.40 -0.81 0.00 3.32 -1.04 -0.23 116.42 118.98 1upa h ASP 207 Ca 0.29 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1upa h ASP 207 Cb 0.02 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1upa h ASP 207 CO -0.08 0.85 0.36 1.56 -1.72 0.00 0.00 179.24 180.21 1upa h GLN 208 N 0.28 1.19 -0.80 3.56 4.20 -0.59 -1.31 115.11 121.64 1upa h GLN 208 Ca 0.01 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1upa h GLN 208 Cb 1.02 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1upa h GLN 208 CO 0.09 0.94 0.32 0.00 -0.67 0.00 0.00 178.83 179.51 1upa h ALA 209 N 1.22 1.04 -0.40 3.87 0.00 -0.54 -1.72 119.26 122.72 1upa h ALA 209 Ca 0.28 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1upa h ALA 209 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1upa h ALA 209 CO -0.03 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.76 1upa h ALA 210 N 1.17 1.02 -0.24 0.00 0.00 -0.75 -0.88 119.26 119.59 1upa h ALA 210 Ca 0.27 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1upa h ALA 210 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1upa h ALA 210 CO -0.02 0.59 -0.33 0.00 0.00 0.00 0.00 179.25 179.48 1upa h ALA 211 N 1.20 0.97 -0.72 0.00 0.00 -0.91 -1.51 119.26 118.30 1upa h ALA 211 Ca 0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1upa h ALA 211 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1upa h ALA 211 CO 0.04 0.61 0.28 -0.07 0.00 0.00 0.00 179.25 180.11 1upa h LEU 212 N 0.43 1.00 -0.85 0.00 3.38 -0.94 -2.96 115.31 115.37 1upa h LEU 212 Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1upa h LEU 212 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1upa h LEU 212 CO 0.06 0.90 0.47 0.25 0.09 0.00 0.00 178.44 180.21 1upa h LEU 213 N 1.03 1.07 -0.86 1.67 5.85 -0.76 -2.12 115.31 121.19 1upa h LEU 213 Ca 0.24 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1upa h LEU 213 Cb 0.22 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1upa h LEU 213 CO -0.02 0.86 0.55 0.00 -0.34 0.00 0.00 178.44 179.50 1upa h ALA 214 N 1.25 1.14 0.00 1.25 0.00 -1.16 -2.57 119.26 119.17 1upa h ALA 214 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1upa h ALA 214 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1upa h ALA 214 CO -0.05 0.39 0.00 1.05 0.00 0.00 0.00 179.25 180.64 1upa h GLU 215 N 1.07 0.00 -6.64 0.00 -0.00 -1.33 -3.46 114.58 104.22 1upa h GLU 215 Ca 0.35 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 59.20 1upa h GLU 215 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.74 1upa h GLU 215 CO -0.12 0.00 0.26 0.00 -0.00 0.00 0.00 179.01 179.15 1upa s ALA 216 N -3.25 3.39 -0.13 1.06 0.00 -0.82 -4.98 121.76 117.02 1upa s ALA 216 Ca 0.07 0.48 0.13 0.00 0.00 0.00 0.00 51.96 52.63 1upa s ALA 216 Cb 0.07 -3.07 -0.24 0.00 0.00 0.00 0.00 23.12 19.88 1upa s ALA 216 CO 0.64 0.25 0.32 1.63 0.00 0.00 0.00 175.76 178.60 1upa n LYS 217 N 1.47 0.67 -3.21 0.00 4.01 -1.26 -4.74 118.16 115.10 1upa n LYS 217 Ca -0.04 0.15 -0.23 0.00 -0.51 0.00 0.00 58.31 57.68 1upa n LYS 217 Cb 0.48 -1.65 -0.06 0.00 -0.51 0.00 0.00 35.03 33.29 1upa n LYS 217 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1upa n HIS 218 N -2.97 0.54 -1.82 2.13 8.25 -1.26 -4.33 115.22 115.77 1upa n HIS 218 Ca -0.27 -3.72 -0.32 0.00 -0.26 0.00 0.00 57.72 53.15 1upa n HIS 218 Cb 1.09 -0.40 0.03 0.00 1.12 0.00 0.00 29.99 31.83 1upa n HIS 218 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1upa s PRO 219 N -1.73 3.09 0.07 -0.41 0.04 -1.26 -2.33 135.00 132.47 1upa s PRO 219 Ca 0.37 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1upa s PRO 219 Cb 0.21 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1upa s PRO 219 CO -0.09 -0.99 -0.08 0.14 0.04 0.00 0.00 177.00 176.02 1upa s VAL 220 N -2.67 0.68 -0.29 -0.36 -7.23 -0.50 -4.27 120.40 105.76 1upa s VAL 220 Ca 0.62 -1.53 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 1upa s VAL 220 Cb -0.16 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1upa s VAL 220 CO 0.44 -0.61 0.08 -0.76 -0.31 0.00 0.00 175.10 173.95 1upa s LEU 221 N -2.32 3.77 -0.41 1.32 1.43 -0.37 -1.45 118.68 120.64 1upa s LEU 221 Ca 0.02 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1upa s LEU 221 Cb -0.03 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1upa s LEU 221 CO -0.02 -0.16 0.30 -0.69 0.23 0.00 0.00 176.35 176.01 1upa s VAL 222 N 1.53 5.25 -0.19 -1.59 1.01 -0.26 -0.39 120.40 125.76 1upa s VAL 222 Ca 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1upa s VAL 222 Cb -0.17 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1upa s VAL 222 CO 0.03 -0.30 0.07 -0.69 0.00 0.00 0.00 175.10 174.20 1upa s VAL 223 N 1.68 4.79 0.45 2.92 1.01 -0.25 0.29 120.40 131.28 1upa s VAL 223 Ca 0.05 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1upa s VAL 223 Cb -0.19 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1upa s VAL 223 CO 0.10 0.44 0.32 -0.83 0.00 0.00 0.00 175.10 175.12 1upa s GLY 224 N 0.56 2.27 0.49 4.51 0.00 -0.47 -2.65 107.32 112.03 1upa s GLY 224 Ca 0.04 -1.79 0.17 0.00 0.00 0.00 0.00 44.72 43.14 1upa s GLY 224 CO 0.01 -1.84 2.08 0.00 0.00 0.00 0.00 173.10 173.35 1upa h ALA 225 N 1.09 1.76 -0.37 3.20 0.00 -1.88 -1.44 119.26 121.62 1upa h ALA 225 Ca -0.41 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.52 1upa h ALA 225 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1upa h ALA 225 CO 0.62 0.12 0.28 0.00 0.00 0.00 0.00 179.25 180.27 1upa h ALA 226 N 1.90 2.29 -0.05 0.00 0.00 -1.90 0.27 119.26 121.77 1upa h ALA 226 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1upa h ALA 226 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1upa h ALA 226 CO 0.01 -0.47 -0.47 0.00 0.00 0.00 0.00 179.25 178.33 1upa h ALA 227 N 1.79 1.13 -0.10 0.00 0.00 -1.50 -2.03 119.26 118.55 1upa h ALA 227 Ca 0.17 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1upa h ALA 227 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1upa h ALA 227 CO -0.00 0.61 -0.65 0.82 0.00 0.00 0.00 179.25 180.02 1upa h ILE 228 N 0.10 1.37 0.00 0.00 2.04 -1.07 -2.38 117.51 117.56 1upa h ILE 228 Ca 0.00 -2.01 -0.11 0.00 1.00 0.00 0.00 64.86 63.74 1upa h ILE 228 Cb 0.86 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1upa h ILE 228 CO 0.07 0.61 -0.53 0.03 0.00 0.00 0.00 178.15 178.32 1upa h ARG 229 N 0.29 0.00 0.00 2.37 3.08 -1.11 -2.65 114.38 116.36 1upa h ARG 229 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1upa h ARG 229 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1upa h ARG 229 CO 0.11 0.53 0.00 0.45 -1.07 0.00 0.00 179.97 180.00 1upa n SER 230 N -3.81 0.25 -0.28 7.04 2.88 -0.79 -4.59 113.62 114.32 1upa n SER 230 Ca -0.01 0.54 -0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1upa n SER 230 Cb 0.56 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1upa n SER 230 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upa n GLY 231 N 0.73 0.49 0.97 0.46 0.00 -1.00 -4.59 105.19 102.25 1upa n GLY 231 Ca 0.05 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.37 1upa n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upa n ALA 232 N -1.52 2.33 0.13 4.61 0.00 -0.90 -4.68 120.51 120.48 1upa n ALA 232 Ca -0.01 -1.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.04 1upa n ALA 232 Cb 0.51 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1upa n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upa h VAL 233 N 2.99 0.69 -0.77 0.00 2.07 -1.90 -0.39 116.25 118.94 1upa h VAL 233 Ca 0.00 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 66.94 1upa h VAL 233 Cb 0.89 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.60 1upa h VAL 233 CO 0.02 0.14 0.31 -0.65 0.02 0.00 0.00 177.57 177.40 1upa h PRO 234 N -0.82 0.42 -0.32 1.57 0.11 -1.91 -1.14 132.00 129.92 1upa h PRO 234 Ca -0.04 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.89 1upa h PRO 234 Cb 0.51 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1upa h PRO 234 CO 0.06 0.28 -0.40 0.00 -0.21 0.00 0.00 178.00 177.73 1upa h ALA 235 N 1.57 0.67 -0.56 -0.75 0.00 -1.84 -1.94 119.26 116.41 1upa h ALA 235 Ca 0.43 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1upa h ALA 235 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1upa h ALA 235 CO -0.42 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.40 1upa h ILE 236 N 0.64 1.26 -0.41 0.00 2.04 -0.68 -2.22 117.51 118.13 1upa h ILE 236 Ca 0.05 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1upa h ILE 236 Cb 0.97 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1upa h ILE 236 CO 0.09 0.35 0.22 -0.09 0.00 0.00 0.00 178.15 178.73 1upa h ARG 237 N 0.82 0.44 -0.58 2.37 2.43 -1.04 -0.34 114.38 118.48 1upa h ARG 237 Ca 0.17 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1upa h ARG 237 Cb 0.42 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1upa h ARG 237 CO 0.01 0.29 0.07 0.00 -1.51 0.00 0.00 179.97 178.83 1upa h ALA 238 N 1.20 0.78 -0.21 2.80 0.00 -1.29 -0.35 119.26 122.19 1upa h ALA 238 Ca 0.17 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1upa h ALA 238 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1upa h ALA 238 CO -0.10 0.55 0.03 1.25 0.00 0.00 0.00 179.25 180.98 1upa h LEU 239 N 0.88 -0.02 -0.52 0.00 5.85 -1.17 -1.68 115.31 118.64 1upa h LEU 239 Ca 0.17 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1upa h LEU 239 Cb 0.46 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1upa h LEU 239 CO 0.02 0.02 -0.02 0.00 -0.34 0.00 0.00 178.44 178.12 1upa h ALA 240 N 1.16 0.71 -0.47 1.25 0.00 -0.71 -2.40 119.26 118.81 1upa h ALA 240 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1upa h ALA 240 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1upa h ALA 240 CO -0.14 0.54 0.04 0.93 0.00 0.00 0.00 179.25 180.62 1upa h GLU 241 N 0.81 0.80 -0.55 0.00 5.08 -1.00 0.26 114.58 119.99 1upa h GLU 241 Ca 0.15 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1upa h GLU 241 Cb 0.55 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1upa h GLU 241 CO 0.03 0.84 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.77 1upa h ARG 242 N 0.66 0.96 -0.22 2.33 2.43 -1.14 -3.11 114.38 116.29 1upa h ARG 242 Ca 0.14 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1upa h ARG 242 Cb 0.45 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1upa h ARG 242 CO 0.02 0.96 0.00 1.28 -1.51 0.00 0.00 179.97 180.71 1upa n LEU 243 N -4.18 2.87 -3.57 3.80 4.77 -0.92 -4.51 117.00 115.26 1upa n LEU 243 Ca 0.03 -1.36 -0.20 0.00 -0.03 0.00 0.00 56.01 54.44 1upa n LEU 243 Cb 0.34 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1upa n LEU 243 CO 0.43 0.60 0.07 -3.20 -1.33 0.00 0.00 177.39 173.97 1upa n ASN 244 N 1.07 -2.55 -4.52 -1.43 5.15 0.74 -1.43 115.26 112.29 1upa n ASN 244 Ca 0.14 -0.68 -0.37 0.00 -0.60 0.00 0.00 54.58 53.06 1upa n ASN 244 Cb 0.48 -4.69 -0.12 0.00 -0.53 0.00 0.00 39.78 34.92 1upa n ASN 244 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1upa s ILE 245 N -3.45 4.82 0.49 -1.44 1.01 -0.17 -4.50 121.20 117.97 1upa s ILE 245 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 1upa s ILE 245 Cb -0.06 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1upa s ILE 245 CO 0.76 0.30 1.39 -2.65 0.00 0.00 0.00 174.94 174.74 1upa n PRO 246 N 4.95 1.98 -3.90 2.79 -0.02 -1.26 -4.73 135.00 134.81 1upa n PRO 246 Ca -0.15 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1upa n PRO 246 Cb 0.52 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1upa n PRO 246 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upa s VAL 247 N -1.24 3.41 0.00 -1.45 1.01 0.11 -1.23 120.40 121.01 1upa s VAL 247 Ca 0.66 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1upa s VAL 247 Cb -0.44 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1upa s VAL 247 CO 0.54 0.39 -0.03 -0.63 0.00 0.00 0.00 175.10 175.36 1upa s ILE 248 N 1.48 3.90 0.28 2.22 1.01 0.48 -1.65 121.20 128.91 1upa s ILE 248 Ca 0.05 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.09 1upa s ILE 248 Cb -0.15 -2.72 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 1upa s ILE 248 CO -0.03 0.38 -0.11 0.42 0.00 0.00 0.00 174.94 175.60 1upa s THR 249 N -1.05 1.93 1.27 2.92 -4.23 -0.90 -1.09 115.64 114.49 1upa s THR 249 Ca 0.18 -2.21 -0.21 0.00 -1.18 0.00 0.00 61.69 58.28 1upa s THR 249 Cb -0.11 -2.39 0.32 0.00 1.34 0.00 0.00 72.50 71.65 1upa s THR 249 CO 0.09 -0.35 1.10 0.42 -0.54 0.00 0.00 174.62 175.34 1upa s THR 250 N -2.83 1.47 0.21 3.99 -4.23 -1.08 -3.04 115.64 110.11 1upa s THR 250 Ca 0.29 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1upa s THR 250 Cb 0.01 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.53 1upa s THR 250 CO 0.12 0.00 1.82 1.88 -0.54 0.00 0.00 174.62 177.91 1upa h TYR 251 N -2.81 0.73 0.00 3.99 -1.99 -1.83 -3.06 116.97 112.00 1upa h TYR 251 Ca -0.42 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1upa h TYR 251 Cb 1.29 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.78 1upa h TYR 251 CO -2.85 0.39 -0.42 -0.89 -0.00 0.00 0.00 178.16 174.38 1upa n ILE 252 N -4.74 0.34 -0.51 -2.88 5.41 -1.26 -3.70 119.36 112.02 1upa n ILE 252 Ca 0.08 -0.22 0.09 0.00 1.00 0.00 0.00 62.75 63.70 1upa n ILE 252 Cb 0.13 -0.21 0.31 0.00 -0.71 0.00 0.00 39.64 39.16 1upa n ILE 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1upa n ALA 253 N -1.75 2.73 -1.75 -1.39 0.00 -1.16 -4.33 120.51 112.87 1upa n ALA 253 Ca 0.04 -1.50 -0.42 0.00 0.00 0.00 0.00 53.44 51.57 1upa n ALA 253 Cb 0.42 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1upa n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upa n LYS 254 N 1.05 2.75 0.00 0.00 5.02 -1.24 -3.20 118.16 122.54 1upa n LYS 254 Ca 0.23 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 1upa n LYS 254 Cb 0.74 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1upa n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upa n GLY 255 N 2.41 0.80 0.22 0.72 0.00 -1.25 -3.96 105.19 104.14 1upa n GLY 255 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1upa n GLY 255 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1upa h VAL 256 N 0.00 0.58 -3.72 1.61 -1.51 -1.79 -2.54 116.25 108.88 1upa h VAL 256 Ca 0.00 -1.08 -0.68 0.00 -1.23 0.00 0.00 66.70 63.71 1upa h VAL 256 Cb 0.00 1.73 -0.18 0.00 -2.13 0.00 0.00 31.29 30.70 1upa h VAL 256 CO 0.00 0.22 -0.76 -0.76 -1.23 0.00 0.00 177.57 175.04 1upa s LEU 257 N -6.86 2.88 0.92 4.19 1.43 -1.26 -4.88 118.68 115.10 1upa s LEU 257 Ca 0.00 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1upa s LEU 257 Cb 0.11 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.75 1upa s LEU 257 CO 0.63 0.22 0.95 -2.65 0.23 0.00 0.00 176.35 175.73 1upa n PRO 258 N 1.16 -0.35 -1.99 1.29 -0.02 -1.26 -4.84 135.00 128.99 1upa n PRO 258 Ca -0.15 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 1upa n PRO 258 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1upa n PRO 258 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upa s VAL 259 N -2.52 2.72 0.00 -1.45 1.01 -1.26 -2.91 120.40 115.99 1upa s VAL 259 Ca 0.65 0.54 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1upa s VAL 259 Cb -0.23 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1upa s VAL 259 CO 0.60 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1upa n GLY 260 N 3.16 3.11 3.71 4.51 0.00 -1.26 -5.04 105.19 113.38 1upa n GLY 260 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1upa n GLY 260 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upa n HIS 261 N -2.00 2.51 0.30 1.61 -0.00 -1.15 -4.86 115.22 111.62 1upa n HIS 261 Ca 0.00 0.35 0.17 0.00 -0.00 0.00 0.00 57.72 58.24 1upa n HIS 261 Cb 0.00 -2.52 0.91 0.00 -0.00 0.00 0.00 29.99 28.38 1upa n HIS 261 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1upa h GLU 262 N 4.39 0.00 -0.12 1.57 4.11 -1.96 -1.88 114.58 120.69 1upa h GLU 262 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1upa h GLU 262 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1upa h GLU 262 CO 0.77 0.04 0.00 1.28 0.07 0.00 0.00 179.01 181.17 1upa n LEU 263 N -3.48 3.10 -4.51 3.06 4.77 -1.26 -4.72 117.00 113.96 1upa n LEU 263 Ca -0.02 -1.12 -0.39 0.00 -0.03 0.00 0.00 56.01 54.45 1upa n LEU 263 Cb 0.16 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1upa n LEU 263 CO 0.26 0.56 1.89 -3.20 -1.33 0.00 0.00 177.39 175.57 1upa n ASN 264 N 1.37 4.30 0.00 -1.43 2.85 -0.71 -0.71 115.26 120.93 1upa n ASN 264 Ca 0.15 -2.85 0.14 0.00 -0.11 0.00 0.00 54.58 51.92 1upa n ASN 264 Cb 0.60 -1.73 0.83 0.00 1.24 0.00 0.00 39.78 40.72 1upa n ASN 264 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1upa n TYR 265 N 9.96 0.00 0.00 1.20 4.02 -0.66 -4.94 117.16 126.74 1upa n TYR 265 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1upa n TYR 265 Cb 0.46 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1upa n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upa n GLY 266 N 0.80 0.77 3.88 2.72 0.00 -1.25 -4.94 105.19 107.17 1upa n GLY 266 Ca 0.21 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1upa n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upa s ALA 267 N -1.63 3.48 0.10 4.61 0.00 -1.26 -2.12 121.76 124.94 1upa s ALA 267 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1upa s ALA 267 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1upa s ALA 267 CO 0.00 0.29 -0.06 0.14 0.00 0.00 0.00 175.76 176.13 1upa s VAL 268 N -2.04 3.60 0.08 0.00 -7.23 -1.17 -4.77 120.40 108.86 1upa s VAL 268 Ca 0.49 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1upa s VAL 268 Cb -0.11 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1upa s VAL 268 CO 0.25 0.11 0.06 0.28 -0.31 0.00 0.00 175.10 175.48 1upa s THR 269 N -1.26 0.18 0.20 5.32 -1.32 -1.26 -4.69 115.64 112.81 1upa s THR 269 Ca 0.23 -1.64 0.21 0.00 -1.21 0.00 0.00 61.69 59.28 1upa s THR 269 Cb -0.11 -1.57 0.18 0.00 -1.51 0.00 0.00 72.50 69.49 1upa s THR 269 CO 0.15 -0.80 1.81 1.23 -2.21 0.00 0.00 174.62 174.81 1upa h GLY 270 N 2.97 0.00 -6.78 6.08 0.00 -2.00 -3.43 103.07 99.91 1upa h GLY 270 Ca -0.34 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.27 1upa h GLY 270 CO 0.62 0.00 2.45 -1.72 0.00 0.00 0.00 176.54 177.88 1upa n TYR 271 N -3.53 3.88 0.00 5.60 4.02 -1.26 -4.72 117.16 121.15 1upa n TYR 271 Ca -0.00 -2.95 0.00 0.00 -0.01 0.00 0.00 57.90 54.94 1upa n TYR 271 Cb 0.44 -2.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.36 1upa n TYR 271 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1upa n ASP 273 N 6.15 0.00 -0.22 7.72 9.92 -1.26 -1.24 116.55 137.62 1upa n ASP 273 Ca 0.47 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.76 1upa n ASP 273 Cb 0.41 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.03 1upa n ASP 273 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1upa h GLY 274 N 0.00 0.90 1.38 0.44 0.00 -1.84 -2.20 103.07 101.75 1upa h GLY 274 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1upa h GLY 274 CO 0.00 -0.14 -0.62 -2.22 0.00 0.00 0.00 176.54 173.55 1upa h ILE 275 N 0.29 1.31 0.00 2.60 2.04 -1.55 -3.28 117.51 118.91 1upa h ILE 275 Ca 0.36 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.34 1upa h ILE 275 Cb 0.57 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1upa h ILE 275 CO -0.44 0.59 -0.63 0.18 0.00 0.00 0.00 178.15 177.84 1upa n LEU 276 N -3.94 0.62 -3.81 1.44 4.77 -1.18 -4.96 117.00 109.93 1upa n LEU 276 Ca -0.04 -0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.56 1upa n LEU 276 Cb 0.65 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1upa n LEU 276 CO 0.49 0.15 -0.15 0.59 -1.33 0.00 0.00 177.39 177.14 1upa n ASN 277 N -1.53 -2.27 -3.59 -1.43 3.02 -0.83 -4.98 115.26 103.65 1upa n ASN 277 Ca 0.05 -0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 53.46 1upa n ASN 277 Cb 0.34 -3.34 -0.07 0.00 -0.61 0.00 0.00 39.78 36.10 1upa n ASN 277 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1upa s PHE 278 N -3.73 -0.74 -1.39 3.10 5.36 -1.20 -5.07 117.98 114.31 1upa s PHE 278 Ca 0.17 1.62 -0.12 0.00 -0.96 0.00 0.00 56.93 57.64 1upa s PHE 278 Cb -0.06 0.32 0.09 0.00 -0.34 0.00 0.00 43.02 43.03 1upa s PHE 278 CO 0.87 -0.47 2.08 -0.35 -1.46 0.00 0.00 175.22 175.89 1upa n PRO 279 N 2.00 3.15 -0.07 10.12 -0.04 -1.26 -4.38 135.00 144.52 1upa n PRO 279 Ca -0.16 -2.97 -0.14 0.00 -0.04 0.00 0.00 63.50 60.20 1upa n PRO 279 Cb 0.56 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.80 1upa n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upa h ALA 280 N 5.95 0.35 -0.45 0.55 0.00 -1.97 -2.27 119.26 121.41 1upa h ALA 280 Ca 0.50 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1upa h ALA 280 Cb 0.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1upa h ALA 280 CO 1.78 0.40 0.05 -0.07 0.00 0.00 0.00 179.25 181.41 1upa h LEU 281 N 0.33 0.74 -0.77 0.00 3.38 -1.96 -2.54 115.31 114.49 1upa h LEU 281 Ca 0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1upa h LEU 281 Cb 0.93 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1upa h LEU 281 CO 0.08 0.83 0.22 1.56 0.09 0.00 0.00 178.44 181.22 1upa h GLN 282 N 0.62 1.15 -0.27 1.13 1.08 -1.96 -0.71 115.11 116.16 1upa h GLN 282 Ca 0.13 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1upa h GLN 282 Cb 0.42 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1upa h GLN 282 CO 0.01 0.98 0.00 2.41 -0.95 0.00 0.00 178.83 181.29 1upa n THR 283 N -4.25 0.01 0.00 -0.54 -1.04 -0.86 -0.28 114.28 107.33 1upa n THR 283 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1upa n THR 283 Cb 0.23 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1upa n THR 283 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1upa n PHE 285 N 0.43 0.00 -0.17 -1.42 3.72 -0.27 -4.81 117.46 114.94 1upa n PHE 285 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1upa n PHE 285 Cb 0.05 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.64 1upa n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upa h ALA 286 N 0.00 0.41 -0.00 4.37 0.00 -0.72 -1.99 119.26 121.33 1upa h ALA 286 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1upa h ALA 286 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1upa h ALA 286 CO 0.00 -0.42 -0.11 -0.35 0.00 0.00 0.00 179.25 178.37 1upa n PRO 287 N -5.32 0.80 -2.15 0.00 -0.04 -1.26 -2.33 135.00 124.69 1upa n PRO 287 Ca 0.06 -0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 62.81 1upa n PRO 287 Cb 0.29 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1upa n PRO 287 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1upa s VAL 288 N -2.41 2.99 -0.29 0.52 1.01 -0.75 -4.70 120.40 116.77 1upa s VAL 288 Ca 0.30 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.16 1upa s VAL 288 Cb 0.20 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 1upa s VAL 288 CO 0.46 0.14 0.38 -0.90 0.00 0.00 0.00 175.10 175.18 1upa n ASP 289 N 2.26 0.75 -3.69 3.32 5.75 -0.98 -4.68 116.55 119.29 1upa n ASP 289 Ca 0.05 -0.88 -0.13 0.00 -0.01 0.00 0.00 54.79 53.83 1upa n ASP 289 Cb 0.42 0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 40.84 1upa n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upa s LEU 290 N -1.13 -0.06 -0.22 -2.12 2.96 -1.26 -1.76 118.68 115.10 1upa s LEU 290 Ca 0.03 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1upa s LEU 290 Cb 0.02 0.72 0.00 0.00 0.50 0.00 0.00 46.19 47.44 1upa s LEU 290 CO 0.08 -0.21 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.13 1upa s VAL 291 N 2.01 3.07 -0.48 1.68 1.01 -0.08 -1.41 120.40 126.20 1upa s VAL 291 Ca -0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1upa s VAL 291 Cb -0.11 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.96 1upa s VAL 291 CO -0.09 0.40 0.37 -0.76 0.00 0.00 0.00 175.10 175.03 1upa s LEU 292 N 1.42 5.67 -0.76 3.92 1.02 -0.53 -0.95 118.68 128.47 1upa s LEU 292 Ca 0.05 -1.65 -0.24 0.00 0.02 0.00 0.00 54.13 52.30 1upa s LEU 292 Cb -0.14 -2.09 0.06 0.00 0.02 0.00 0.00 46.19 44.03 1upa s LEU 292 CO -0.05 -0.69 1.16 0.42 0.02 0.00 0.00 176.35 177.21 1upa s THR 293 N 1.50 4.07 -0.46 5.49 -4.23 0.54 -1.10 115.64 121.45 1upa s THR 293 Ca 0.04 -0.20 -0.24 0.00 -1.18 0.00 0.00 61.69 60.11 1upa s THR 293 Cb -0.26 -4.83 0.03 0.00 1.34 0.00 0.00 72.50 68.78 1upa s THR 293 CO 0.02 -1.68 0.83 -0.69 -0.54 0.00 0.00 174.62 172.57 1upa s VAL 294 N 4.73 4.59 -0.41 2.29 1.01 0.14 -1.56 120.40 131.18 1upa s VAL 294 Ca 0.31 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 1upa s VAL 294 Cb -0.10 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1upa s VAL 294 CO 0.08 -0.78 0.36 0.61 0.00 0.00 0.00 175.10 175.37 1upa n GLY 295 N 4.98 0.44 3.77 4.51 0.00 0.73 -1.37 105.19 118.26 1upa n GLY 295 Ca 0.03 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1upa n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upa s TYR 296 N -3.10 2.79 -0.22 1.61 5.04 -0.98 -4.14 117.35 118.35 1upa s TYR 296 Ca 0.15 1.31 -0.05 0.00 -2.44 0.00 0.00 57.07 56.04 1upa s TYR 296 Cb -0.07 -3.83 0.11 0.00 0.35 0.00 0.00 41.96 38.53 1upa s TYR 296 CO 0.23 -2.40 0.40 0.34 -1.34 0.00 0.00 175.55 172.77 1upa s ASP 297 N -0.40 -0.04 0.52 4.32 -1.08 -1.26 -4.88 116.67 113.85 1upa s ASP 297 Ca 0.53 0.63 0.21 0.00 -0.52 0.00 0.00 52.55 53.39 1upa s ASP 297 Cb -0.42 1.25 1.33 0.00 -1.46 0.00 0.00 42.92 43.61 1upa s ASP 297 CO 0.56 -0.26 2.06 0.22 0.52 0.00 0.00 175.17 178.27 1upa h TYR 298 N 8.18 0.02 -0.03 -5.34 3.20 -1.95 -2.15 116.97 118.89 1upa h TYR 298 Ca -0.18 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.66 1upa h TYR 298 Cb 1.13 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1upa h TYR 298 CO 0.21 0.01 -0.16 0.00 -1.64 0.00 0.00 178.16 176.58 1upa h ALA 299 N 1.84 1.67 0.00 1.82 0.00 -1.94 -1.82 119.26 120.83 1upa h ALA 299 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1upa h ALA 299 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1upa h ALA 299 CO -0.00 0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.88 1upa n GLU 300 N -4.32 0.18 -1.22 0.00 1.02 -0.81 -3.49 120.64 112.00 1upa n GLU 300 Ca -0.02 0.14 -0.08 0.00 -0.02 0.00 0.00 57.16 57.18 1upa n GLU 300 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1upa n GLU 300 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1upa n ASP 301 N -1.20 -4.06 -4.33 1.62 2.03 -0.68 -4.60 116.55 105.32 1upa n ASP 301 Ca 0.05 0.19 -0.46 0.00 0.52 0.00 0.00 54.79 55.09 1upa n ASP 301 Cb 0.06 -2.23 -0.05 0.00 -0.72 0.00 0.00 41.12 38.18 1upa n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upa s LEU 302 N -1.71 5.96 0.27 -2.67 2.96 -1.26 -4.93 118.68 117.29 1upa s LEU 302 Ca 0.00 -1.70 0.03 0.00 -0.22 0.00 0.00 54.13 52.24 1upa s LEU 302 Cb 0.00 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1upa s LEU 302 CO 0.00 -0.93 0.42 -0.13 -1.32 0.00 0.00 176.35 174.39 1upa s ARG 303 N 1.90 3.46 0.33 1.98 0.52 -1.26 -4.81 118.95 121.08 1upa s ARG 303 Ca 0.06 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 1upa s ARG 303 Cb -0.28 -2.82 0.80 0.00 0.52 0.00 0.00 34.95 33.17 1upa s ARG 303 CO 0.04 0.34 1.82 -1.35 0.02 0.00 0.00 175.30 176.17 1upa h PRO 304 N 1.16 0.69 -1.98 3.54 0.11 -1.98 -3.31 132.00 130.24 1upa h PRO 304 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1upa h PRO 304 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1upa h PRO 304 CO 0.62 0.46 0.00 -1.13 -0.21 0.00 0.00 178.00 177.74 1upa n SER 305 N -4.65 0.00 0.00 -2.05 3.41 -1.26 -1.85 113.62 107.22 1upa n SER 305 Ca 0.21 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1upa n SER 305 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1upa n SER 305 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1upa n TRP 307 N 1.68 0.00 -2.03 7.33 2.14 -1.25 -4.72 117.44 120.59 1upa n TRP 307 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1upa n TRP 307 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1upa n TRP 307 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1upa n GLN 308 N 0.00 3.07 -4.50 -2.67 6.02 -0.77 -4.88 117.38 113.66 1upa n GLN 308 Ca 0.00 -2.94 -0.21 0.00 -0.01 0.00 0.00 57.00 53.84 1upa n GLN 308 Cb 0.00 -3.24 -0.15 0.00 1.02 0.00 0.00 30.24 27.87 1upa n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upa s LYS 309 N 2.74 1.09 7.30 -1.09 -0.14 -1.26 -5.05 119.74 123.34 1upa s LYS 309 Ca 0.46 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.69 1upa s LYS 309 Cb 0.11 -1.01 0.00 0.00 -1.68 0.00 0.00 37.83 35.25 1upa s LYS 309 CO -0.04 0.18 0.00 0.41 -0.76 0.00 0.00 175.35 175.13 1upa n GLY 310 N 3.12 2.27 3.81 -3.33 0.00 -1.26 -3.71 105.19 106.10 1upa n GLY 310 Ca -0.17 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1upa n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upa s ILE 311 N 0.00 3.10 0.35 -0.61 -4.36 -0.99 -5.00 121.20 113.69 1upa s ILE 311 Ca 0.00 0.36 -0.28 0.00 -0.26 0.00 0.00 60.65 60.46 1upa s ILE 311 Cb 0.00 -3.13 -0.10 0.00 1.25 0.00 0.00 42.46 40.48 1upa s ILE 311 CO 0.00 -0.47 1.33 -1.61 0.24 0.00 0.00 174.94 174.43 1upa s GLU 312 N -5.18 4.27 0.00 0.37 0.41 -1.26 -4.96 118.70 112.34 1upa s GLU 312 Ca 0.60 2.25 0.08 0.00 -0.41 0.00 0.00 54.97 57.50 1upa s GLU 312 Cb -0.14 -3.01 -0.02 0.00 -1.78 0.00 0.00 34.13 29.18 1upa s GLU 312 CO 0.54 -0.27 -0.25 0.15 -0.49 0.00 0.00 175.26 174.93 1upa s LYS 313 N -1.90 1.94 0.37 1.61 1.02 -1.26 -4.75 119.74 116.76 1upa s LYS 313 Ca 0.50 -0.96 -0.17 0.00 0.02 0.00 0.00 55.97 55.37 1upa s LYS 313 Cb -0.40 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 34.87 1upa s LYS 313 CO 0.54 0.52 0.82 0.15 -0.92 0.00 0.00 175.35 176.46 1upa s LYS 314 N -0.79 4.07 0.02 1.68 -0.14 -0.72 -4.95 119.74 118.91 1upa s LYS 314 Ca 0.10 0.82 0.05 0.00 -1.36 0.00 0.00 55.97 55.59 1upa s LYS 314 Cb -0.10 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 33.70 1upa s LYS 314 CO -0.00 0.07 -0.16 0.95 -0.76 0.00 0.00 175.35 175.45 1upa s THR 315 N -2.08 1.27 -0.14 2.17 -4.23 -1.26 -0.90 115.64 110.47 1upa s THR 315 Ca 0.57 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1upa s THR 315 Cb -0.10 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.66 1upa s THR 315 CO 0.17 0.16 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.60 1upa s VAL 316 N -0.68 1.42 -0.19 2.29 1.01 -0.12 -1.59 120.40 122.53 1upa s VAL 316 Ca 0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1upa s VAL 316 Cb -0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1upa s VAL 316 CO 0.01 0.40 0.28 -0.60 0.00 0.00 0.00 175.10 175.19 1upa s ARG 317 N 1.54 4.20 -0.15 2.72 3.52 -0.29 -0.34 118.95 130.16 1upa s ARG 317 Ca 0.04 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 1upa s ARG 317 Cb -0.13 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1upa s ARG 317 CO -0.10 0.15 -0.15 0.42 -0.81 0.00 0.00 175.30 174.80 1upa s ILE 318 N 0.77 1.64 -0.22 4.11 1.09 -0.60 -0.35 121.20 127.64 1upa s ILE 318 Ca 0.15 -0.69 -0.27 0.00 -1.10 0.00 0.00 60.65 58.74 1upa s ILE 318 Cb -0.13 -1.52 0.08 0.00 -1.06 0.00 0.00 42.46 39.83 1upa s ILE 318 CO 0.04 0.47 0.78 -0.55 -0.10 0.00 0.00 174.94 175.58 1upa s SER 319 N 1.37 -0.66 -0.08 3.58 0.15 -0.71 -0.19 113.70 117.15 1upa s SER 319 Ca 0.03 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1upa s SER 319 Cb -0.13 1.10 0.09 0.00 -1.71 0.00 0.00 66.02 65.37 1upa s SER 319 CO -0.09 -0.32 1.47 -0.81 1.20 0.00 0.00 173.24 174.68 1upa n PRO 320 N 2.10 1.22 -3.89 5.44 -0.04 -0.89 -1.72 135.00 137.23 1upa n PRO 320 Ca -0.15 -0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 62.71 1upa n PRO 320 Cb 0.56 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 1upa n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upa s THR 321 N -0.61 0.10 0.42 0.52 -4.23 -1.26 -1.38 115.64 109.19 1upa s THR 321 Ca 0.10 -0.82 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1upa s THR 321 Cb 0.08 -0.59 -0.08 0.00 1.34 0.00 0.00 72.50 73.25 1upa s THR 321 CO 0.01 -0.45 1.21 -0.69 -0.54 0.00 0.00 174.62 174.16 1upa s VAL 322 N -1.81 2.96 -0.08 2.29 1.01 -1.26 -4.84 120.40 118.67 1upa s VAL 322 Ca -0.11 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 1upa s VAL 322 Cb -0.06 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 1upa s VAL 322 CO -0.01 0.07 2.01 0.21 0.00 0.00 0.00 175.10 177.38 1upa s ASN 323 N -1.07 6.11 0.00 3.32 2.47 -1.26 -4.88 114.94 119.63 1upa s ASN 323 Ca 0.59 2.30 0.28 0.00 0.42 0.00 0.00 52.86 56.44 1upa s ASN 323 Cb -0.33 -2.52 1.03 0.00 -1.45 0.00 0.00 41.25 37.98 1upa s ASN 323 CO 0.41 -1.38 1.77 -0.81 -3.72 0.00 0.00 177.10 173.37 1upa n PRO 324 N 7.96 0.14 -2.78 0.43 -0.04 -1.26 -4.47 135.00 134.98 1upa n PRO 324 Ca 0.23 -0.04 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 1upa n PRO 324 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1upa n PRO 324 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1upa n ILE 325 N -1.39 1.22 0.24 0.52 -5.35 -1.26 -4.90 119.36 108.44 1upa n ILE 325 Ca 0.08 -4.08 0.16 0.00 -0.27 0.00 0.00 62.75 58.64 1upa n ILE 325 Cb 0.32 -0.17 0.86 0.00 -1.74 0.00 0.00 39.64 38.91 1upa n ILE 325 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1upa h PRO 326 N 2.91 0.00 -0.03 6.28 0.13 -1.78 -0.56 132.00 138.95 1upa h PRO 326 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1upa h PRO 326 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1upa h PRO 326 CO 0.61 0.00 -0.40 -0.09 -0.23 0.00 0.00 178.00 177.89 1upa h ARG 327 N 0.00 0.05 0.00 0.86 2.43 -1.98 -3.35 114.38 112.40 1upa h ARG 327 Ca 0.00 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 1upa h ARG 327 Cb 0.00 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 1upa h ARG 327 CO 0.00 0.45 -2.12 0.28 -1.51 0.00 0.00 179.97 177.06 1upa n VAL 328 N -4.06 1.13 -3.81 0.20 0.31 -0.39 -4.92 118.33 106.79 1upa n VAL 328 Ca -0.02 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.53 1upa n VAL 328 Cb 0.44 -1.05 -0.16 0.00 -0.91 0.00 0.00 33.84 32.16 1upa n VAL 328 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1upa s TYR 329 N -2.40 1.59 -0.67 3.52 5.04 -0.36 -4.84 117.35 119.24 1upa s TYR 329 Ca -0.22 -1.26 -0.01 0.00 -2.44 0.00 0.00 57.07 53.13 1upa s TYR 329 Cb 0.06 -1.29 0.17 0.00 0.35 0.00 0.00 41.96 41.25 1upa s TYR 329 CO 0.51 -0.69 0.49 1.03 -1.34 0.00 0.00 175.55 175.55 1upa s ARG 330 N 1.67 2.64 0.61 4.97 0.52 -1.26 -4.08 118.95 124.02 1upa s ARG 330 Ca -0.02 -2.74 -0.18 0.00 -0.52 0.00 0.00 55.73 52.26 1upa s ARG 330 Cb -0.18 -3.72 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 1upa s ARG 330 CO -0.09 -1.19 1.24 -1.25 0.02 0.00 0.00 175.30 174.03 1upa s PRO 331 N -0.44 2.81 0.29 3.54 0.04 -1.26 -4.90 135.00 135.08 1upa s PRO 331 Ca 0.19 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1upa s PRO 331 Cb -0.17 -1.90 0.45 0.00 0.04 0.00 0.00 34.50 32.92 1upa s PRO 331 CO -0.05 -1.36 1.72 -0.44 0.04 0.00 0.00 177.00 176.91 1upa h ASP 332 N 0.75 0.36 -3.38 6.66 3.32 -1.68 -3.42 116.42 119.03 1upa h ASP 332 Ca -0.51 -0.13 -0.45 0.00 0.02 0.00 0.00 57.03 55.96 1upa h ASP 332 Cb 1.31 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 40.42 1upa h ASP 332 CO 0.54 0.67 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.26 1upa s VAL 333 N -4.34 0.67 -0.26 -1.35 1.01 -0.89 -5.03 120.40 110.22 1upa s VAL 333 Ca -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1upa s VAL 333 Cb 0.14 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1upa s VAL 333 CO 0.78 0.27 -0.05 -0.62 0.00 0.00 0.00 175.10 175.48 1upa s ASP 334 N 1.17 4.41 -0.41 3.32 -1.08 -1.26 -1.14 116.67 121.68 1upa s ASP 334 Ca -0.07 -0.94 -0.06 0.00 -0.52 0.00 0.00 52.55 50.96 1upa s ASP 334 Cb -0.14 -1.67 0.10 0.00 -1.46 0.00 0.00 42.92 39.75 1upa s ASP 334 CO -0.01 -0.15 0.22 -0.69 0.52 0.00 0.00 175.17 175.06 1upa s VAL 335 N 1.31 3.71 -0.62 1.11 1.01 0.53 -4.91 120.40 122.53 1upa s VAL 335 Ca -0.01 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 1upa s VAL 335 Cb -0.17 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 32.97 1upa s VAL 335 CO -0.04 -0.58 0.60 -0.69 0.00 0.00 0.00 175.10 174.39 1upa s VAL 336 N 1.28 5.25 0.25 2.92 1.01 -1.26 -1.74 120.40 128.11 1upa s VAL 336 Ca 0.05 -1.67 -0.20 0.00 0.00 0.00 0.00 61.98 60.16 1upa s VAL 336 Cb -0.23 -4.40 0.07 0.00 0.00 0.00 0.00 36.38 31.82 1upa s VAL 336 CO -0.01 -0.95 0.96 0.28 0.00 0.00 0.00 175.10 175.37 1upa s THR 337 N 1.42 0.00 0.30 3.92 -1.32 -0.70 -0.63 115.64 118.63 1upa s THR 337 Ca 0.08 -0.73 -0.29 0.00 -1.21 0.00 0.00 61.69 59.54 1upa s THR 337 Cb -0.24 -2.89 -0.10 0.00 -1.51 0.00 0.00 72.50 67.76 1upa s THR 337 CO 0.00 0.00 1.33 -0.62 -2.21 0.00 0.00 174.62 173.12 1upa s ASP 338 N -3.29 6.77 0.17 8.08 2.15 -1.26 -2.09 116.67 127.20 1upa s ASP 338 Ca 0.20 2.65 -0.11 0.00 0.43 0.00 0.00 52.55 55.71 1upa s ASP 338 Cb -0.03 -2.64 0.07 0.00 -0.30 0.00 0.00 42.92 40.02 1upa s ASP 338 CO 0.07 -0.56 1.71 0.58 -0.17 0.00 0.00 175.17 176.81 1upa h VAL 339 N 3.19 1.24 -0.31 1.11 2.07 -1.92 -0.45 116.25 121.19 1upa h VAL 339 Ca -0.48 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1upa h VAL 339 Cb 1.22 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1upa h VAL 339 CO 0.69 0.31 -0.05 0.25 0.02 0.00 0.00 177.57 178.79 1upa h LEU 340 N 0.85 0.58 -0.60 2.57 5.85 -1.91 -1.62 115.31 121.03 1upa h LEU 340 Ca 0.20 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1upa h LEU 340 Cb 0.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1upa h LEU 340 CO -0.01 0.79 0.35 0.00 -0.34 0.00 0.00 178.44 179.23 1upa h ALA 341 N 0.81 0.79 -0.39 1.25 0.00 -1.85 -0.68 119.26 119.19 1upa h ALA 341 Ca 0.08 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1upa h ALA 341 Cb 0.52 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1upa h ALA 341 CO 0.03 0.06 0.17 0.35 0.00 0.00 0.00 179.25 179.85 1upa h PHE 342 N 0.68 0.30 -0.79 0.00 3.57 -0.89 -2.29 116.94 117.53 1upa h PHE 342 Ca 0.25 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1upa h PHE 342 Cb 0.08 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1upa h PHE 342 CO -0.07 0.14 0.32 0.28 -2.23 0.00 0.00 178.31 176.76 1upa h VAL 343 N 0.35 1.26 -0.45 1.41 2.07 -0.30 0.84 116.25 121.42 1upa h VAL 343 Ca 0.17 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 1upa h VAL 343 Cb 0.12 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1upa h VAL 343 CO -0.15 0.33 -0.19 -0.33 0.02 0.00 0.00 177.57 177.25 1upa h GLU 344 N 1.14 0.89 -0.05 1.57 5.08 -1.03 0.53 114.58 122.71 1upa h GLU 344 Ca 0.26 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1upa h GLU 344 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1upa h GLU 344 CO -0.02 1.00 -0.53 1.25 -1.00 0.00 0.00 179.01 179.70 1upa h HIS 345 N 0.78 0.17 -0.16 4.33 2.76 -1.15 -2.73 115.15 119.14 1upa h HIS 345 Ca 0.11 -0.06 -0.18 0.00 -2.20 0.00 0.00 60.37 58.04 1upa h HIS 345 Cb 0.72 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.65 1upa h HIS 345 CO 0.04 0.64 -0.65 0.35 -1.30 0.00 0.00 177.93 177.01 1upa h PHE 346 N 0.11 0.79 0.02 5.26 3.57 -0.53 -2.12 116.94 124.02 1upa h PHE 346 Ca 0.00 -0.31 0.03 0.00 3.53 0.00 0.00 57.97 61.21 1upa h PHE 346 Cb 0.97 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1upa h PHE 346 CO 0.01 1.08 -0.19 0.93 -2.23 0.00 0.00 178.31 177.91 1upa h GLU 347 N 0.44 -0.31 -0.40 1.11 4.39 -0.80 -1.51 114.58 117.51 1upa h GLU 347 Ca -0.01 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1upa h GLU 347 Cb 1.22 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.91 1upa h GLU 347 CO 0.12 -0.21 0.17 1.15 -1.16 0.00 0.00 179.01 179.09 1upa h THR 348 N -0.32 0.94 0.00 1.13 2.02 -1.42 -0.11 112.91 115.15 1upa h THR 348 Ca 0.05 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1upa h THR 348 Cb 0.39 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1upa h THR 348 CO -0.17 0.07 -0.23 0.00 0.37 0.00 0.00 175.52 175.55 1upa h ALA 349 N 1.23 1.21 -0.28 6.16 0.00 -1.23 -3.05 119.26 123.30 1upa h ALA 349 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1upa h ALA 349 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1upa h ALA 349 CO -0.15 0.29 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1upa n THR 350 N -3.67 1.58 -0.17 0.00 -2.24 -0.58 -4.74 114.28 104.46 1upa n THR 350 Ca -0.01 -1.42 0.13 0.00 -2.27 0.00 0.00 64.05 60.48 1upa n THR 350 Cb 0.35 0.15 0.47 0.00 -2.10 0.00 0.00 70.33 69.20 1upa n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upa h ALA 351 N 1.77 2.00 -0.17 6.98 0.00 -0.91 -2.47 119.26 126.45 1upa h ALA 351 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upa h ALA 351 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1upa h ALA 351 CO 0.10 -0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 1upa n SER 352 N -4.49 3.16 -4.77 0.00 3.41 -1.26 -4.99 113.62 104.69 1upa n SER 352 Ca 0.14 -1.98 -0.39 0.00 -0.26 0.00 0.00 58.87 56.37 1upa n SER 352 Cb 0.46 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1upa n SER 352 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1upa s PHE 353 N -1.77 2.74 0.39 7.33 0.40 -0.93 -5.01 117.98 121.13 1upa s PHE 353 Ca 0.32 1.42 -0.25 0.00 -0.60 0.00 0.00 56.93 57.82 1upa s PHE 353 Cb 0.21 -3.65 -0.09 0.00 0.51 0.00 0.00 43.02 40.00 1upa s PHE 353 CO 0.30 -2.13 1.11 0.20 0.70 0.00 0.00 175.22 175.40 1upa s GLY 354 N -0.87 2.82 0.66 4.36 0.00 -1.26 -5.00 107.32 108.04 1upa s GLY 354 Ca 0.60 0.84 -0.17 0.00 0.00 0.00 0.00 44.72 45.99 1upa s GLY 354 CO 0.47 1.32 1.23 0.00 0.00 0.00 0.00 173.10 176.12 1upa s ALA 355 N -1.50 2.33 0.28 3.20 0.00 -1.26 -4.97 121.76 119.83 1upa s ALA 355 Ca 0.57 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.54 1upa s ALA 355 Cb -0.27 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1upa s ALA 355 CO 0.34 -1.56 0.47 0.15 0.00 0.00 0.00 175.76 175.16 1upa s LYS 356 N -3.59 3.50 0.07 0.00 -0.14 -0.51 -4.99 119.74 114.07 1upa s LYS 356 Ca 0.77 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.69 1upa s LYS 356 Cb -0.32 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.03 1upa s LYS 356 CO 0.40 0.28 1.00 -0.65 -0.76 0.00 0.00 175.35 175.62 1upa s GLN 357 N -3.93 4.61 0.01 1.68 -1.52 -1.26 -4.70 119.66 114.55 1upa s GLN 357 Ca 0.39 1.49 -0.05 0.00 -1.95 0.00 0.00 55.36 55.24 1upa s GLN 357 Cb -0.10 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 29.25 1upa s GLN 357 CO 0.32 0.05 0.25 -0.98 -0.25 0.00 0.00 175.29 174.68 1upa s ARG 358 N 0.48 3.54 0.51 2.91 1.70 -1.26 -4.65 118.95 122.18 1upa s ARG 358 Ca 0.50 -0.16 -0.20 0.00 -0.47 0.00 0.00 55.73 55.41 1upa s ARG 358 Cb -0.24 -3.07 -0.07 0.00 -0.57 0.00 0.00 34.95 31.01 1upa s ARG 358 CO 0.29 0.64 1.10 -3.38 -1.08 0.00 0.00 175.30 172.88 1upa s HIS 359 N -1.33 2.80 -0.05 5.89 -3.43 -1.26 -4.97 115.29 112.93 1upa s HIS 359 Ca 0.28 1.56 -0.30 0.00 -0.80 0.00 0.00 55.06 55.80 1upa s HIS 359 Cb -0.13 -3.22 -0.05 0.00 -1.43 0.00 0.00 32.58 27.75 1upa s HIS 359 CO 0.18 -1.31 1.46 0.34 -2.00 0.00 0.00 174.74 173.41 1upa s ASP 360 N -1.79 6.80 -0.07 7.38 2.15 -1.26 -4.89 116.67 124.99 1upa s ASP 360 Ca 0.70 2.07 0.10 0.00 0.43 0.00 0.00 52.55 55.85 1upa s ASP 360 Cb -0.22 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.01 1upa s ASP 360 CO 0.25 -0.80 1.05 2.30 -0.17 0.00 0.00 175.17 177.80 1upa n ILE 361 N 5.11 1.31 -0.19 4.11 -5.35 -1.26 -4.88 119.36 118.21 1upa n ILE 361 Ca 0.15 -1.52 0.11 0.00 -0.27 0.00 0.00 62.75 61.21 1upa n ILE 361 Cb 0.43 0.13 0.41 0.00 -1.74 0.00 0.00 39.64 38.87 1upa n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upa h GLU 362 N 0.00 0.60 -0.19 6.28 4.39 -1.98 -0.43 114.58 123.25 1upa h GLU 362 Ca 0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1upa h GLU 362 Cb 0.90 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1upa h GLU 362 CO 0.00 0.40 -0.14 -1.35 -1.16 0.00 0.00 179.01 176.76 1upa h PRO 363 N 0.62 0.30 -0.17 2.33 0.11 -1.98 0.92 132.00 134.13 1upa h PRO 363 Ca 0.36 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 1upa h PRO 363 Cb 0.55 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1upa h PRO 363 CO -0.13 0.45 -0.25 1.25 -0.21 0.00 0.00 178.00 179.11 1upa h LEU 364 N 0.29 0.52 -0.66 2.35 5.85 -1.59 -2.37 115.31 119.70 1upa h LEU 364 Ca 0.06 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1upa h LEU 364 Cb 0.42 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1upa h LEU 364 CO 0.03 0.93 0.41 0.03 -0.34 0.00 0.00 178.44 179.50 1upa h ARG 365 N 0.12 0.80 -0.21 1.25 3.08 -0.89 -0.05 114.38 118.47 1upa h ARG 365 Ca 0.02 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1upa h ARG 365 Cb 0.82 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1upa h ARG 365 CO 0.06 0.53 -0.45 0.00 -1.07 0.00 0.00 179.97 179.03 1upa h ALA 366 N 1.27 0.82 0.03 0.04 0.00 -0.87 -1.68 119.26 118.87 1upa h ALA 366 Ca 0.26 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1upa h ALA 366 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1upa h ALA 366 CO -0.09 0.66 -0.01 -0.09 0.00 0.00 0.00 179.25 179.71 1upa h ARG 367 N 0.43 -0.04 -0.85 0.00 9.65 -0.84 -2.17 114.38 120.56 1upa h ARG 367 Ca 0.03 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.03 1upa h ARG 367 Cb 0.96 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.47 1upa h ARG 367 CO 0.09 0.10 0.47 0.82 2.80 0.00 0.00 179.97 184.25 1upa h ILE 368 N -0.17 0.84 -0.35 1.20 2.04 -0.74 -1.20 117.51 119.13 1upa h ILE 368 Ca -0.00 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1upa h ILE 368 Cb 0.16 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1upa h ILE 368 CO 0.01 0.14 -0.19 0.00 0.00 0.00 0.00 178.15 178.10 1upa h ALA 369 N 1.50 1.00 -0.35 1.87 0.00 -1.15 -2.01 119.26 120.12 1upa h ALA 369 Ca 0.43 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1upa h ALA 369 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1upa h ALA 369 CO -0.29 0.59 -0.34 1.05 0.00 0.00 0.00 179.25 180.26 1upa h GLU 370 N 0.59 0.85 -0.21 0.00 9.09 -0.71 -1.96 114.58 122.24 1upa h GLU 370 Ca 0.09 -0.45 0.06 0.00 0.05 0.00 0.00 59.36 59.11 1upa h GLU 370 Cb 0.65 0.02 -0.07 0.00 -1.65 0.00 0.00 28.75 27.70 1upa h GLU 370 CO 0.05 1.09 -0.25 0.35 0.05 0.00 0.00 179.01 180.30 1upa h PHE 371 N 0.65 -0.65 0.00 2.06 3.57 -1.08 -2.17 116.94 119.31 1upa h PHE 371 Ca 0.06 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1upa h PHE 371 Cb 0.93 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1upa h PHE 371 CO 0.07 -0.32 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.55 1upa h LEU 372 N -0.27 0.00 -1.76 0.59 3.38 -1.15 -2.44 115.31 113.66 1upa h LEU 372 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1upa h LEU 372 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1upa h LEU 372 CO -0.36 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.37 1upa n ALA 373 N -2.40 2.48 -1.30 1.53 0.00 -0.76 -4.72 120.51 115.34 1upa n ALA 373 Ca -0.02 -0.70 -0.53 0.00 0.00 0.00 0.00 53.44 52.19 1upa n ALA 373 Cb 0.28 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 1upa n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upa n ASP 374 N 1.07 0.60 -0.27 0.00 2.03 -0.83 -4.83 116.55 114.31 1upa n ASP 374 Ca 0.16 0.51 0.15 0.00 0.52 0.00 0.00 54.79 56.14 1upa n ASP 374 Cb 0.53 -0.89 0.71 0.00 -0.72 0.00 0.00 41.12 40.75 1upa n ASP 374 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1upa n PRO 375 N 7.63 1.37 -2.04 -0.67 -0.04 -1.26 -4.95 135.00 135.05 1upa n PRO 375 Ca 0.57 -0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 1upa n PRO 375 Cb -0.02 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1upa n PRO 375 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1upa s GLU 376 N -2.00 3.07 -0.14 0.54 2.12 -1.26 -5.03 118.70 115.99 1upa s GLU 376 Ca 0.42 1.63 -0.04 0.00 0.36 0.00 0.00 54.97 57.34 1upa s GLU 376 Cb 0.21 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.61 1upa s GLU 376 CO 0.35 -1.08 -0.01 0.99 -0.54 0.00 0.00 175.26 174.97 1upa s THR 377 N -1.86 4.16 0.03 -1.70 2.01 -1.26 -5.03 115.64 112.00 1upa s THR 377 Ca 0.73 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1upa s THR 377 Cb -0.25 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1upa s THR 377 CO 0.33 0.51 0.06 -0.31 -0.69 0.00 0.00 174.62 174.52 1upa s TYR 378 N 0.08 3.20 0.13 4.92 1.51 -1.26 -5.01 117.35 120.92 1upa s TYR 378 Ca 0.01 0.12 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 1upa s TYR 378 Cb -0.13 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1upa s TYR 378 CO 0.02 0.52 1.51 1.05 -1.11 0.00 0.00 175.55 177.54 1upa h GLU 379 N 3.80 0.86 0.00 -0.62 9.09 -2.01 -3.40 114.58 122.30 1upa h GLU 379 Ca -0.48 -0.38 0.00 0.00 0.05 0.00 0.00 59.36 58.55 1upa h GLU 379 Cb 1.17 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1upa h GLU 379 CO 0.63 1.03 0.00 -0.40 0.05 0.00 0.00 179.01 180.31 1upa n ASP 380 N -4.21 0.00 0.00 3.06 3.85 -1.26 -5.20 116.55 112.79 1upa n ASP 380 Ca -0.01 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.07 1upa n ASP 380 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1upa n ASP 380 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1upa n GLY 381 N 0.02 0.53 3.09 6.12 0.00 -1.26 -5.01 105.19 108.69 1upa n GLY 381 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1upa n GLY 381 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upa s ARG 383 N 0.00 0.65 0.44 1.61 1.81 -1.26 -4.34 118.95 117.87 1upa s ARG 383 Ca 0.00 -0.74 0.15 0.00 -1.72 0.00 0.00 55.73 53.42 1upa s ARG 383 Cb 0.00 -0.54 1.01 0.00 -0.45 0.00 0.00 34.95 34.97 1upa s ARG 383 CO 0.00 0.12 1.98 0.28 -0.68 0.00 0.00 175.30 177.00 1upa h VAL 384 N 4.50 1.10 -0.06 3.52 2.07 -1.98 -0.95 116.25 124.45 1upa h VAL 384 Ca -0.37 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 1upa h VAL 384 Cb 1.19 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1upa h VAL 384 CO 0.42 0.20 -0.23 1.12 0.02 0.00 0.00 177.57 179.10 1upa h HIS 385 N 0.00 0.11 -0.08 1.57 2.07 -1.96 -1.00 115.15 115.86 1upa h HIS 385 Ca -0.00 -0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.31 1upa h HIS 385 Cb 0.36 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.31 1upa h HIS 385 CO 0.00 0.33 -0.76 1.96 -3.07 0.00 0.00 177.93 176.39 1upa h GLN 386 N 0.10 0.47 -0.18 5.12 4.20 -1.46 -1.23 115.11 122.12 1upa h GLN 386 Ca 0.02 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1upa h GLN 386 Cb 0.46 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1upa h GLN 386 CO 0.03 1.03 0.07 0.28 -0.67 0.00 0.00 178.83 179.58 1upa h VAL 387 N 0.32 1.16 -0.15 -0.54 2.07 -1.10 -1.64 116.25 116.37 1upa h VAL 387 Ca -0.04 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.86 1upa h VAL 387 Cb 1.35 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1upa h VAL 387 CO 0.14 0.16 -0.45 0.40 0.02 0.00 0.00 177.57 177.83 1upa h ILE 388 N 0.14 1.32 -0.40 4.57 2.04 -1.22 -2.59 117.51 121.36 1upa h ILE 388 Ca 0.06 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.29 1upa h ILE 388 Cb 0.18 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1upa h ILE 388 CO -0.00 0.50 0.25 -0.78 0.00 0.00 0.00 178.15 178.11 1upa h ASP 389 N 0.30 0.41 0.00 1.72 3.58 -1.17 0.03 116.42 121.29 1upa h ASP 389 Ca 0.02 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1upa h ASP 389 Cb 0.92 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1upa h ASP 389 CO 0.08 0.30 0.00 -1.20 -2.88 0.00 0.00 179.24 175.53 1upa n SER 390 N -4.84 0.14 0.00 2.28 7.64 -0.62 -1.64 113.62 116.58 1upa n SER 390 Ca 0.01 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1upa n SER 390 Cb 0.04 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1upa n SER 390 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1upa n ASN 392 N 0.75 0.00 0.05 6.43 3.02 -0.00 -2.15 115.26 123.36 1upa n ASN 392 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1upa n ASN 392 Cb 0.03 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 1upa n ASN 392 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1upa h THR 393 N 0.00 0.67 0.00 3.41 2.02 -1.56 -1.17 112.91 116.28 1upa h THR 393 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1upa h THR 393 Cb 0.00 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1upa h THR 393 CO 0.00 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.41 1upa n VAL 394 N -5.26 1.20 0.00 3.16 0.31 -0.91 -2.36 118.33 114.46 1upa n VAL 394 Ca -0.05 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1upa n VAL 394 Cb 0.18 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1upa n VAL 394 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1upa n GLU 396 N 1.22 0.00 -0.14 5.55 2.13 -0.44 -1.06 120.64 127.90 1upa n GLU 396 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1upa n GLU 396 Cb 0.38 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.07 1upa n GLU 396 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1upa h GLU 397 N 0.00 0.75 0.00 5.31 5.08 -1.73 -3.35 114.58 120.63 1upa h GLU 397 Ca 0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 1upa h GLU 397 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1upa h GLU 397 CO 0.00 0.87 -0.77 0.00 -1.00 0.00 0.00 179.01 178.11 1upa h ALA 398 N 0.85 0.64 -2.71 3.43 0.00 -1.39 -3.46 119.26 116.62 1upa h ALA 398 Ca 0.10 -0.58 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 1upa h ALA 398 Cb 0.58 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1upa h ALA 398 CO 0.03 0.74 -0.42 0.00 0.00 0.00 0.00 179.25 179.60 1upa s ALA 399 N -2.94 3.87 0.83 0.00 0.00 -1.26 -4.80 121.76 117.46 1upa s ALA 399 Ca 0.02 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1upa s ALA 399 Cb 0.08 -2.02 0.08 0.00 0.00 0.00 0.00 23.12 21.27 1upa s ALA 399 CO 0.77 0.65 1.12 0.39 0.00 0.00 0.00 175.76 178.69 1upa n GLU 400 N 1.37 0.07 -1.69 0.00 -0.58 -1.26 -4.87 120.64 113.67 1upa n GLU 400 Ca -0.14 0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.27 1upa n GLU 400 Cb 0.53 -2.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.02 1upa n GLU 400 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1upa n PRO 401 N -3.22 2.11 -1.09 3.49 -0.02 -1.26 -1.71 135.00 133.30 1upa n PRO 401 Ca 0.13 0.74 -0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1upa n PRO 401 Cb 0.51 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1upa n PRO 401 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upa n GLY 402 N 0.91 0.56 3.48 -1.23 0.00 -1.26 -4.99 105.19 102.65 1upa n GLY 402 Ca 0.05 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1upa n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upa s GLU 403 N -1.47 1.74 0.00 1.61 2.02 -0.70 -4.49 118.70 117.42 1upa s GLU 403 Ca 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 52.99 1upa s GLU 403 Cb 0.00 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.42 1upa s GLU 403 CO 0.00 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1upa n GLY 404 N -0.77 1.80 2.85 -1.39 0.00 -1.26 -4.74 105.19 101.68 1upa n GLY 404 Ca -0.04 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1upa n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upa s THR 405 N -2.25 0.45 -0.19 2.61 2.01 -0.84 -4.64 115.64 112.79 1upa s THR 405 Ca 0.00 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 1upa s THR 405 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1upa s THR 405 CO 0.00 0.23 0.05 -0.63 -0.69 0.00 0.00 174.62 173.57 1upa s ILE 406 N 1.24 4.54 -0.04 1.82 1.01 -0.09 -1.38 121.20 128.30 1upa s ILE 406 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1upa s ILE 406 Cb -0.14 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1upa s ILE 406 CO -0.02 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.63 1upa s VAL 407 N 0.59 3.87 -0.05 2.92 1.01 0.77 -1.04 120.40 128.47 1upa s VAL 407 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1upa s VAL 407 Cb -0.13 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1upa s VAL 407 CO 0.02 0.52 -0.13 -0.55 0.00 0.00 0.00 175.10 174.95 1upa s SER 408 N -1.08 1.78 0.80 3.32 0.15 -0.27 -0.66 113.70 117.74 1upa s SER 408 Ca 0.15 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1upa s SER 408 Cb -0.11 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1upa s SER 408 CO 0.04 0.08 0.00 -0.67 1.20 0.00 0.00 173.24 173.89 1upa n ASP 409 N 3.50 -0.46 -4.63 5.45 -0.08 -0.29 -4.49 116.55 115.55 1upa n ASP 409 Ca -0.20 -0.57 -0.32 0.00 -1.51 0.00 0.00 54.79 52.20 1upa n ASP 409 Cb 0.53 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.89 1upa n ASP 409 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1upa s ILE 410 N -0.80 3.79 -5.00 5.18 -1.09 -1.26 -4.63 121.20 117.39 1upa s ILE 410 Ca 0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1upa s ILE 410 Cb 0.00 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1upa s ILE 410 CO 0.00 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1upa n GLY 411 N 1.23 -0.49 0.16 6.18 0.00 -1.26 -4.63 105.19 106.38 1upa n GLY 411 Ca -0.14 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 1upa n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upa h PHE 412 N 0.00 0.13 -0.64 1.61 3.57 -1.93 -0.92 116.94 118.75 1upa h PHE 412 Ca 0.00 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.71 1upa h PHE 412 Cb 0.00 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1upa h PHE 412 CO 0.00 0.02 0.56 0.27 -2.23 0.00 0.00 178.31 176.94 1upa h PHE 413 N 0.20 0.00 -0.73 0.41 -0.00 -1.97 -1.56 116.94 113.30 1upa h PHE 413 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.15 1upa h PHE 413 Cb 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.12 1upa h PHE 413 CO -0.19 0.00 0.47 -0.09 -0.00 0.00 0.00 178.31 178.50 1upa h ARG 414 N 0.00 0.96 0.00 6.09 1.12 -1.42 -1.23 114.38 119.90 1upa h ARG 414 Ca 0.30 -0.06 -0.07 0.00 -1.11 0.00 0.00 59.98 59.04 1upa h ARG 414 Cb 1.43 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1upa h ARG 414 CO -0.00 0.65 -0.32 0.45 -3.11 0.00 0.00 179.97 177.63 1upa h HIS 415 N 0.99 0.00 -0.38 2.20 3.86 -1.37 -1.52 115.15 118.93 1upa h HIS 415 Ca 0.26 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1upa h HIS 415 Cb -0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1upa h HIS 415 CO 0.00 0.32 -0.09 1.88 0.86 0.00 0.00 177.93 180.90 1upa h TYR 416 N 0.00 0.71 -0.42 2.45 -1.99 -1.33 -2.33 116.97 114.06 1upa h TYR 416 Ca -0.00 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.50 1upa h TYR 416 Cb 0.64 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1upa h TYR 416 CO 0.00 0.72 -0.20 0.78 -0.00 0.00 0.00 178.16 179.47 1upa h GLY 417 N 0.96 0.89 0.93 3.88 0.00 -0.83 -1.48 103.07 107.43 1upa h GLY 417 Ca 0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1upa h GLY 417 CO 0.03 0.69 0.13 -2.08 0.00 0.00 0.00 176.54 175.30 1upa h VAL 418 N 0.72 1.20 -0.21 4.60 2.07 -1.22 -0.93 116.25 122.48 1upa h VAL 418 Ca 0.10 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.82 1upa h VAL 418 Cb 0.72 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1upa h VAL 418 CO 0.06 0.23 -0.44 -0.07 0.02 0.00 0.00 177.57 177.37 1upa h LEU 419 N 0.45 0.75 0.00 2.57 3.38 -1.36 -3.41 115.31 117.69 1upa h LEU 419 Ca 0.12 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1upa h LEU 419 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1upa h LEU 419 CO -0.01 1.16 -0.97 0.49 0.09 0.00 0.00 178.44 179.21 1upa n PHE 420 N -4.19 0.00 -2.27 1.13 3.72 -0.56 -4.83 117.46 110.45 1upa n PHE 420 Ca -0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.95 1upa n PHE 420 Cb 0.56 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1upa n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upa s ALA 421 N -2.02 3.28 0.22 4.37 0.00 -0.36 -4.92 121.76 122.33 1upa s ALA 421 Ca -0.01 1.04 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 1upa s ALA 421 Cb 0.01 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1upa s ALA 421 CO 0.08 -0.51 0.85 0.50 0.00 0.00 0.00 175.76 176.69 1upa s ARG 422 N -2.04 4.64 -0.34 0.00 3.52 -1.26 -4.95 118.95 118.52 1upa s ARG 422 Ca 0.53 1.27 0.01 0.00 -0.13 0.00 0.00 55.73 57.42 1upa s ARG 422 Cb -0.33 -3.16 0.15 0.00 -1.56 0.00 0.00 34.95 30.04 1upa s ARG 422 CO 0.43 0.49 0.33 0.00 -0.81 0.00 0.00 175.30 175.74 1upa s ALA 423 N -1.27 -0.30 -1.47 6.12 0.00 -1.26 -4.65 121.76 118.93 1upa s ALA 423 Ca 0.40 -0.82 0.15 0.00 0.00 0.00 0.00 51.96 51.70 1upa s ALA 423 Cb -0.23 -1.90 0.54 0.00 0.00 0.00 0.00 23.12 21.52 1upa s ALA 423 CO 0.27 -1.97 1.42 -3.47 0.00 0.00 0.00 175.76 172.02 1upa n ASP 424 N 4.64 3.54 -3.60 0.00 2.03 -1.26 -3.90 116.55 118.00 1upa n ASP 424 Ca 0.06 -2.24 -0.11 0.00 0.52 0.00 0.00 54.79 53.03 1upa n ASP 424 Cb 0.45 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.35 1upa n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1upa s GLN 425 N -1.61 1.21 0.22 -0.67 -2.07 -1.25 -4.18 119.66 111.32 1upa s GLN 425 Ca 0.39 -0.68 -0.32 0.00 -1.82 0.00 0.00 55.36 52.93 1upa s GLN 425 Cb 0.24 0.52 -0.14 0.00 -1.09 0.00 0.00 33.01 32.54 1upa s GLN 425 CO 0.21 -0.50 1.40 -2.30 -1.32 0.00 0.00 175.29 172.78 1upa n PRO 426 N -0.30 1.96 -2.39 9.60 -0.02 -0.96 -0.84 135.00 142.05 1upa n PRO 426 Ca -0.15 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1upa n PRO 426 Cb 0.64 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1upa n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upa n PHE 427 N 2.05 -1.07 0.24 6.00 3.72 -1.25 -4.88 117.46 122.26 1upa n PHE 427 Ca 0.13 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.66 1upa n PHE 427 Cb 0.30 -3.70 0.28 0.00 -0.94 0.00 0.00 39.48 35.42 1upa n PHE 427 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upa h GLY 428 N 0.00 0.00 -6.31 1.37 0.00 -1.14 -3.40 103.07 93.59 1upa h GLY 428 Ca -0.45 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.27 1upa h GLY 428 CO 0.53 0.00 -0.84 -0.12 0.00 0.00 0.00 176.54 176.12 1upa s PHE 429 N -3.30 2.24 -0.14 5.60 5.36 -1.26 -0.91 117.98 125.57 1upa s PHE 429 Ca 0.06 -1.27 -0.00 0.00 -0.96 0.00 0.00 56.93 54.76 1upa s PHE 429 Cb 0.06 -1.63 -0.01 0.00 -0.34 0.00 0.00 43.02 41.09 1upa s PHE 429 CO 0.64 -0.68 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.08 1upa s LEU 430 N 1.46 2.72 0.34 6.12 1.43 -0.21 -4.71 118.68 125.84 1upa s LEU 430 Ca 0.05 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1upa s LEU 430 Cb -0.13 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1upa s LEU 430 CO -0.11 0.15 0.66 0.28 0.23 0.00 0.00 176.35 177.56 1upa s THR 431 N 0.43 0.00 -0.49 5.49 -1.32 -1.26 -1.12 115.64 117.38 1upa s THR 431 Ca -0.10 -1.21 -0.12 0.00 -1.21 0.00 0.00 61.69 59.05 1upa s THR 431 Cb -0.16 -2.59 0.11 0.00 -1.51 0.00 0.00 72.50 68.35 1upa s THR 431 CO 0.05 0.00 0.39 -0.55 -2.21 0.00 0.00 174.62 172.30 1upa s SER 432 N -3.08 5.91 -0.00 8.08 0.15 -1.26 -4.89 113.70 118.61 1upa s SER 432 Ca 0.19 -1.73 -0.03 0.00 0.70 0.00 0.00 55.95 55.09 1upa s SER 432 Cb -0.03 -2.10 -0.28 0.00 -1.71 0.00 0.00 66.02 61.90 1upa s SER 432 CO 0.13 -0.72 0.83 0.00 1.20 0.00 0.00 173.24 174.68 1upa h ALA 433 N 8.63 0.29 0.10 5.45 0.00 -1.90 -3.05 119.26 128.78 1upa h ALA 433 Ca -0.25 -1.13 -0.00 0.00 0.00 0.00 0.00 54.91 53.52 1upa h ALA 433 Cb 1.09 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1upa h ALA 433 CO 0.91 1.15 -0.05 0.78 0.00 0.00 0.00 179.25 182.04 1upa h GLY 434 N 1.68 -0.14 0.38 0.00 0.00 -1.77 -3.41 103.07 99.81 1upa h GLY 434 Ca -0.25 0.05 -0.34 0.00 0.00 0.00 0.00 47.33 46.79 1upa h GLY 434 CO 0.16 -0.05 -1.92 0.00 0.00 0.00 0.00 176.54 174.73 1upa n SER 436 N -3.71 -2.01 -4.70 0.00 7.64 -1.15 -4.95 113.62 104.75 1upa n SER 436 Ca -0.35 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.24 1upa n SER 436 Cb 0.95 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.47 1upa n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upa s SER 437 N -4.02 7.18 0.74 6.43 0.15 -1.26 -4.96 113.70 117.96 1upa s SER 437 Ca 0.22 1.77 -0.15 0.00 0.70 0.00 0.00 55.95 58.50 1upa s SER 437 Cb -0.11 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1upa s SER 437 CO 0.85 -0.44 1.23 0.72 1.20 0.00 0.00 173.24 176.79 1upa s PHE 438 N 1.54 1.96 0.00 3.44 -0.71 -1.26 -2.84 117.98 120.11 1upa s PHE 438 Ca 0.54 1.60 0.00 0.00 -1.04 0.00 0.00 56.93 58.03 1upa s PHE 438 Cb -0.24 -3.53 0.00 0.00 -1.21 0.00 0.00 43.02 38.05 1upa s PHE 438 CO 0.25 -2.77 0.00 0.41 -1.34 0.00 0.00 175.22 171.77 1upa n GLY 439 N 0.54 1.30 0.31 1.99 0.00 -1.07 -4.92 105.19 103.34 1upa n GLY 439 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1upa n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1upa h TYR 440 N 0.00 0.03 0.41 1.61 3.20 -1.83 -3.34 116.97 117.07 1upa h TYR 440 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1upa h TYR 440 Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1upa h TYR 440 CO 0.00 0.02 -0.20 0.78 -1.64 0.00 0.00 178.16 177.11 1upa h GLY 441 N 0.03 -0.59 0.63 1.82 0.00 -1.87 -1.77 103.07 101.33 1upa h GLY 441 Ca 0.10 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1upa h GLY 441 CO -0.00 -0.22 -0.28 -2.22 0.00 0.00 0.00 176.54 173.82 1upa h ILE 442 N -0.56 0.39 -0.77 2.60 2.04 -1.92 -0.48 117.51 118.81 1upa h ILE 442 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1upa h ILE 442 Cb 0.44 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1upa h ILE 442 CO 0.09 0.00 0.51 1.55 0.00 0.00 0.00 178.15 180.30 1upa h PRO 443 N -0.57 0.96 -0.24 2.37 0.13 -1.76 -0.10 132.00 132.79 1upa h PRO 443 Ca 0.00 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 1upa h PRO 443 Cb 0.55 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1upa h PRO 443 CO -0.09 0.64 -0.38 0.00 -0.23 0.00 0.00 178.00 177.94 1upa h ALA 444 N 1.54 0.89 -0.51 -0.56 0.00 -1.05 -0.86 119.26 118.70 1upa h ALA 444 Ca 0.30 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1upa h ALA 444 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1upa h ALA 444 CO -0.08 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.71 1upa h ALA 445 N 1.13 0.70 0.13 0.00 0.00 -0.13 0.00 119.26 121.09 1upa h ALA 445 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1upa h ALA 445 Cb 0.87 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1upa h ALA 445 CO 0.07 0.59 -0.17 0.82 0.00 0.00 0.00 179.25 180.57 1upa h ILE 446 N 0.82 0.62 -0.98 0.00 2.04 -0.82 0.64 117.51 119.82 1upa h ILE 446 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1upa h ILE 446 Cb 0.65 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1upa h ILE 446 CO 0.05 0.00 0.64 1.23 0.00 0.00 0.00 178.15 180.07 1upa h GLY 447 N -0.35 1.38 0.93 5.37 0.00 -1.06 -2.75 103.07 106.59 1upa h GLY 447 Ca 0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 1upa h GLY 447 CO -0.07 0.51 -0.21 0.00 0.00 0.00 0.00 176.54 176.78 1upa h ALA 448 N 1.35 0.42 0.00 3.60 0.00 -0.81 -1.88 119.26 121.95 1upa h ALA 448 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upa h ALA 448 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1upa h ALA 448 CO -0.08 0.36 0.00 0.94 0.00 0.00 0.00 179.25 180.48 1upa n GLN 449 N -4.34 0.39 0.00 0.00 -0.06 0.20 -0.92 117.38 112.64 1upa n GLN 449 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1upa n GLN 449 Cb 0.42 -1.29 0.00 0.00 -4.06 0.00 0.00 30.24 25.31 1upa n GLN 449 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1upa n ALA 451 N 0.74 0.00 -3.39 1.69 0.00 -0.71 -2.03 120.51 116.82 1upa n ALA 451 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1upa n ALA 451 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1upa n ALA 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1upa n ARG 452 N 0.00 1.97 0.26 0.00 1.74 -0.10 -4.98 116.66 115.55 1upa n ARG 452 Ca 0.00 -4.25 0.12 0.00 -0.77 0.00 0.00 57.85 52.95 1upa n ARG 452 Cb 0.00 -1.97 0.73 0.00 -1.02 0.00 0.00 32.46 30.20 1upa n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upa h PRO 453 N 4.22 0.00 -0.61 5.56 0.13 -1.68 -2.06 132.00 137.56 1upa h PRO 453 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1upa h PRO 453 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1upa h PRO 453 CO 0.72 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 1upa n ASP 454 N -3.71 4.43 -4.58 1.44 8.00 -1.26 -4.95 116.55 115.92 1upa n ASP 454 Ca -0.02 -2.37 -0.30 0.00 0.71 0.00 0.00 54.79 52.81 1upa n ASP 454 Cb 0.22 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1upa n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upa s GLN 455 N -1.69 2.19 0.39 -1.24 -0.21 -0.77 -5.00 119.66 113.32 1upa s GLN 455 Ca 0.48 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.62 1upa s GLN 455 Cb 0.30 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.89 1upa s GLN 455 CO 0.24 0.52 1.21 -2.14 -2.12 0.00 0.00 175.29 173.01 1upa s PRO 456 N -2.07 4.09 -0.14 2.91 0.02 -1.26 -4.93 135.00 133.61 1upa s PRO 456 Ca 0.21 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 1upa s PRO 456 Cb -0.11 -2.77 0.04 0.00 0.02 0.00 0.00 34.50 31.68 1upa s PRO 456 CO 0.13 -0.32 -0.05 0.99 -0.33 0.00 0.00 177.00 177.41 1upa s THR 457 N -1.33 0.97 0.01 0.99 2.01 -1.26 -1.98 115.64 115.04 1upa s THR 457 Ca 0.55 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1upa s THR 457 Cb -0.34 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1upa s THR 457 CO 0.43 0.19 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.14 1upa s PHE 458 N 1.71 2.93 -0.06 4.92 0.08 -0.48 -1.90 117.98 125.18 1upa s PHE 458 Ca 0.02 -0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.11 1upa s PHE 458 Cb -0.14 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1upa s PHE 458 CO -0.08 0.40 -0.20 -1.17 -0.10 0.00 0.00 175.22 174.07 1upa s LEU 459 N -1.51 1.97 -0.10 -0.37 2.96 0.32 -0.17 118.68 121.78 1upa s LEU 459 Ca 0.18 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1upa s LEU 459 Cb -0.11 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1upa s LEU 459 CO 0.09 0.17 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.61 1upa s ILE 460 N 0.09 2.73 0.05 6.68 2.07 0.17 0.08 121.20 133.07 1upa s ILE 460 Ca -0.07 -0.80 -0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1upa s ILE 460 Cb -0.14 -2.09 -0.03 0.00 0.13 0.00 0.00 42.46 40.33 1upa s ILE 460 CO 0.04 0.55 0.02 0.00 -1.91 0.00 0.00 174.94 173.65 1upa s ALA 461 N 0.03 0.23 0.44 1.50 0.00 -0.53 -1.14 121.76 122.30 1upa s ALA 461 Ca -0.06 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1upa s ALA 461 Cb -0.15 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1upa s ALA 461 CO 0.05 -0.34 0.63 0.20 0.00 0.00 0.00 175.76 176.30 1upa s GLY 462 N -2.48 1.73 0.23 0.00 0.00 -1.26 -1.09 107.32 104.45 1upa s GLY 462 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 1upa s GLY 462 CO -0.07 -1.19 1.74 1.29 0.00 0.00 0.00 173.10 174.88 1upa h ASP 463 N 0.48 0.95 0.53 1.64 2.03 -1.77 -0.61 116.42 119.67 1upa h ASP 463 Ca -0.44 -0.21 -0.03 0.00 -0.73 0.00 0.00 57.03 55.63 1upa h ASP 463 Cb 1.27 -0.25 0.01 0.00 -0.83 0.00 0.00 39.33 39.53 1upa h ASP 463 CO 0.52 0.94 -0.26 1.23 -1.03 0.00 0.00 179.24 180.64 1upa h GLY 464 N 1.04 -0.75 0.98 7.15 0.00 -1.90 -2.33 103.07 107.25 1upa h GLY 464 Ca 0.19 0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.68 1upa h GLY 464 CO 0.01 -0.27 -0.31 -1.33 0.00 0.00 0.00 176.54 174.63 1upa h GLY 465 N -0.82 0.77 0.86 4.60 0.00 -1.81 -2.81 103.07 103.85 1upa h GLY 465 Ca -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 47.33 46.47 1upa h GLY 465 CO 0.12 0.73 0.27 -2.75 0.00 0.00 0.00 176.54 174.91 1upa h PHE 466 N 0.45 0.50 0.00 5.60 3.57 -1.18 -2.60 116.94 123.28 1upa h PHE 466 Ca 0.04 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1upa h PHE 466 Cb 0.89 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1upa h PHE 466 CO 0.07 0.28 -0.19 1.25 -2.23 0.00 0.00 178.31 177.50 1upa h HIS 467 N 0.53 0.00 -0.00 0.41 2.76 -1.43 -1.25 115.15 116.17 1upa h HIS 467 Ca 0.19 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1upa h HIS 467 Cb 0.04 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 1upa h HIS 467 CO -0.08 0.19 0.00 0.66 -1.30 0.00 0.00 177.93 177.40 1upa h SER 468 N 0.00 0.00 -0.11 3.26 4.64 -1.20 -3.18 113.55 116.97 1upa h SER 468 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1upa h SER 468 Cb 0.73 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.48 1upa h SER 468 CO 0.02 0.00 -0.91 -3.20 -0.87 0.00 0.00 176.83 171.88 1upa n ASN 469 N -3.50 0.71 0.18 4.97 5.15 -0.99 -4.93 115.26 116.85 1upa n ASN 469 Ca -0.03 -2.02 0.13 0.00 -0.60 0.00 0.00 54.58 52.06 1upa n ASN 469 Cb 0.08 -0.20 0.38 0.00 -0.53 0.00 0.00 39.78 39.51 1upa n ASN 469 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1upa h SER 470 N 1.26 0.00 0.32 1.20 4.64 -1.22 -3.27 113.55 116.48 1upa h SER 470 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1upa h SER 470 Cb 1.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1upa h SER 470 CO 0.05 0.00 -0.10 0.28 -0.87 0.00 0.00 176.83 176.18 1upa h SER 471 N 0.00 0.00 0.00 4.97 0.02 -1.87 -1.09 113.55 115.58 1upa h SER 471 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upa h SER 471 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1upa h SER 471 CO 0.00 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 176.26 1upa n ASP 472 N -3.67 0.00 -0.34 3.07 8.00 -1.24 -2.26 116.55 120.11 1upa n ASP 472 Ca -0.02 -0.95 0.15 0.00 0.71 0.00 0.00 54.79 54.67 1upa n ASP 472 Cb 0.22 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.67 1upa n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upa h LEU 473 N 0.00 0.73 -1.17 0.64 3.38 -1.45 -2.18 115.31 115.26 1upa h LEU 473 Ca 0.00 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1upa h LEU 473 Cb 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1upa h LEU 473 CO 0.00 0.24 0.24 -0.08 0.09 0.00 0.00 178.44 178.93 1upa h GLU 474 N 0.70 0.83 -0.48 1.13 4.22 -1.65 -1.72 114.58 117.60 1upa h GLU 474 Ca 0.58 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.85 1upa h GLU 474 Cb 0.99 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1upa h GLU 474 CO -0.37 0.67 0.11 1.15 -2.18 0.00 0.00 179.01 178.39 1upa h THR 475 N 0.82 1.24 -0.98 0.32 2.02 -1.62 0.10 112.91 114.82 1upa h THR 475 Ca 0.20 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1upa h THR 475 Cb 0.14 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 1upa h THR 475 CO -0.02 0.31 0.64 0.40 0.37 0.00 0.00 175.52 177.22 1upa h ILE 476 N 0.66 1.22 -0.37 3.11 2.04 -0.93 0.34 117.51 123.59 1upa h ILE 476 Ca 0.15 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.40 1upa h ILE 476 Cb 0.34 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1upa h ILE 476 CO 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 178.15 177.99 1upa h ALA 477 N 1.37 0.58 -0.17 1.87 0.00 -1.01 -1.66 119.26 120.24 1upa h ALA 477 Ca 0.37 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1upa h ALA 477 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1upa h ALA 477 CO -0.09 0.68 -0.49 -0.09 0.00 0.00 0.00 179.25 179.25 1upa h ARG 478 N 0.74 0.44 0.00 0.00 2.43 -0.18 -2.40 114.38 115.42 1upa h ARG 478 Ca 0.06 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1upa h ARG 478 Cb 0.99 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1upa h ARG 478 CO 0.10 0.84 -0.30 1.28 -1.51 0.00 0.00 179.97 180.38 1upa n LEU 479 N -3.97 0.34 -3.67 3.80 4.77 0.05 -4.96 117.00 113.36 1upa n LEU 479 Ca -0.02 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.97 1upa n LEU 479 Cb 0.56 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1upa n LEU 479 CO 0.45 0.05 -0.00 -3.20 -1.33 0.00 0.00 177.39 173.36 1upa n ASN 480 N -1.57 -1.95 -4.62 -1.43 5.15 -0.67 -4.96 115.26 105.20 1upa n ASN 480 Ca 0.06 -0.77 -0.41 0.00 -0.60 0.00 0.00 54.58 52.86 1upa n ASN 480 Cb 0.35 -4.28 -0.06 0.00 -0.53 0.00 0.00 39.78 35.26 1upa n ASN 480 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1upa s LEU 481 N -6.71 4.07 -0.09 1.20 1.43 -0.95 -4.84 118.68 112.80 1upa s LEU 481 Ca 0.10 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1upa s LEU 481 Cb -0.05 -2.89 -0.18 0.00 0.03 0.00 0.00 46.19 43.11 1upa s LEU 481 CO 0.80 -0.41 2.63 -0.81 0.23 0.00 0.00 176.35 178.79 1upa n PRO 482 N 5.78 1.47 -2.73 1.29 -0.04 -1.26 -3.48 135.00 136.03 1upa n PRO 482 Ca 0.00 -0.76 -0.41 0.00 -0.04 0.00 0.00 63.50 62.28 1upa n PRO 482 Cb 0.49 -1.90 -0.04 0.00 -0.04 0.00 0.00 33.50 32.01 1upa n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upa s ILE 483 N 1.74 4.68 -0.28 0.52 1.01 -1.26 -4.59 121.20 123.02 1upa s ILE 483 Ca 0.46 2.05 -0.09 0.00 0.00 0.00 0.00 60.65 63.07 1upa s ILE 483 Cb 0.21 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1upa s ILE 483 CO -0.00 0.24 0.14 -0.69 0.00 0.00 0.00 174.94 174.63 1upa s VAL 484 N 0.48 4.72 -0.11 2.92 1.01 -0.80 -1.73 120.40 126.90 1upa s VAL 484 Ca 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1upa s VAL 484 Cb -0.22 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1upa s VAL 484 CO 0.29 0.21 -0.08 -0.89 0.00 0.00 0.00 175.10 174.63 1upa s THR 485 N 1.66 3.58 -0.21 3.92 2.01 -0.06 -0.52 115.64 126.02 1upa s THR 485 Ca 0.06 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 1upa s THR 485 Cb -0.16 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1upa s THR 485 CO 0.07 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.76 1upa s VAL 486 N -0.20 2.87 -0.37 3.82 1.01 0.11 -0.25 120.40 127.40 1upa s VAL 486 Ca 0.02 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1upa s VAL 486 Cb -0.13 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1upa s VAL 486 CO 0.03 0.44 0.23 -0.69 0.00 0.00 0.00 175.10 175.11 1upa s VAL 487 N 1.40 4.90 -0.40 2.92 1.01 0.26 -1.45 120.40 129.04 1upa s VAL 487 Ca 0.05 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1upa s VAL 487 Cb -0.14 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1upa s VAL 487 CO -0.07 -0.18 0.85 0.68 0.00 0.00 0.00 175.10 176.38 1upa s VAL 488 N 1.63 4.63 -0.18 2.92 -7.23 -0.25 -0.94 120.40 120.98 1upa s VAL 488 Ca 0.04 0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 61.06 1upa s VAL 488 Cb -0.19 -4.30 -0.01 0.00 0.56 0.00 0.00 36.38 32.44 1upa s VAL 488 CO 0.08 -0.58 -0.09 0.21 -0.31 0.00 0.00 175.10 174.41 1upa s ASN 489 N 1.98 4.06 -0.09 4.85 2.47 -0.27 -2.50 114.94 125.44 1upa s ASN 489 Ca 0.34 -0.40 0.13 0.00 0.42 0.00 0.00 52.86 53.35 1upa s ASN 489 Cb -0.12 -1.66 0.23 0.00 -1.45 0.00 0.00 41.25 38.24 1upa s ASN 489 CO 0.20 0.05 1.11 -0.46 -3.72 0.00 0.00 177.10 174.29 1upa n ASN 490 N 4.31 1.46 -3.21 -4.21 6.94 -1.26 -1.43 115.26 117.86 1upa n ASN 490 Ca -0.19 -2.78 -0.23 0.00 -0.02 0.00 0.00 54.58 51.37 1upa n ASN 490 Cb 0.51 -0.36 0.03 0.00 -2.36 0.00 0.00 39.78 37.60 1upa n ASN 490 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1upa n ASP 491 N -0.83 -5.35 -3.61 0.53 9.92 -1.26 -4.93 116.55 111.02 1upa n ASP 491 Ca 0.11 -0.36 -0.16 0.00 -0.53 0.00 0.00 54.79 53.85 1upa n ASP 491 Cb 0.70 -4.33 -0.07 0.00 -0.64 0.00 0.00 41.12 36.78 1upa n ASP 491 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1upa s THR 492 N -3.12 0.01 -1.25 -3.53 2.01 -1.26 -1.89 115.64 106.62 1upa s THR 492 Ca 0.37 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 1upa s THR 492 Cb -0.18 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1upa s THR 492 CO 0.46 -0.06 1.84 0.59 -0.69 0.00 0.00 174.62 176.75 1upa n ASN 493 N 1.43 4.12 -0.10 3.53 3.02 -0.38 -4.24 115.26 122.64 1upa n ASN 493 Ca -0.18 -2.83 -0.06 0.00 -0.03 0.00 0.00 54.58 51.48 1upa n ASN 493 Cb 0.56 -1.73 0.02 0.00 -0.61 0.00 0.00 39.78 38.03 1upa n ASN 493 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1upa h GLY 494 N 14.50 0.42 0.74 7.41 0.00 -1.95 -1.95 103.07 122.24 1upa h GLY 494 Ca 0.37 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1upa h GLY 494 CO 1.40 -0.01 0.59 -2.00 0.00 0.00 0.00 176.54 176.52 1upa h LEU 495 N 0.21 0.87 -0.40 3.11 6.46 -1.93 -0.94 115.31 122.70 1upa h LEU 495 Ca 0.17 0.02 -0.18 0.00 -0.12 0.00 0.00 57.88 57.77 1upa h LEU 495 Cb 0.18 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1upa h LEU 495 CO -0.21 0.53 -0.60 0.40 -0.62 0.00 0.00 178.44 177.95 1upa h ILE 496 N 0.97 1.31 -0.78 4.05 1.08 -1.79 -1.27 117.51 121.08 1upa h ILE 496 Ca 0.42 -1.84 -0.03 0.00 -0.39 0.00 0.00 64.86 63.01 1upa h ILE 496 Cb 0.32 1.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 1upa h ILE 496 CO -0.17 0.58 0.36 -0.08 -0.69 0.00 0.00 178.15 178.15 1upa h GLU 497 N 0.49 1.13 -0.26 2.37 4.81 -0.79 -0.26 114.58 122.07 1upa h GLU 497 Ca -0.00 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1upa h GLU 497 Cb 1.18 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1upa h GLU 497 CO 0.12 0.88 0.03 1.25 -0.73 0.00 0.00 179.01 180.55 1upa h LEU 498 N 1.12 -0.05 -1.42 1.64 6.46 -0.89 -1.94 115.31 120.22 1upa h LEU 498 Ca 0.27 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 58.03 1upa h LEU 498 Cb 0.13 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1upa h LEU 498 CO -0.03 0.01 -0.10 1.88 -0.62 0.00 0.00 178.44 179.57 1upa h TYR 499 N 0.11 0.26 -0.57 1.25 0.05 -0.52 -0.11 116.97 117.44 1upa h TYR 499 Ca 0.12 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1upa h TYR 499 Cb 0.14 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1upa h TYR 499 CO -0.18 0.36 0.33 1.96 -1.05 0.00 0.00 178.16 179.57 1upa h GLN 500 N 0.24 0.79 -0.22 4.88 4.20 -0.57 -2.49 115.11 121.94 1upa h GLN 500 Ca 0.05 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1upa h GLN 500 Cb 0.34 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1upa h GLN 500 CO 0.02 0.59 -0.58 -0.91 -0.67 0.00 0.00 178.83 177.28 1upa h ASN 501 N 0.77 0.80 -0.66 1.46 2.35 -0.63 -1.07 115.58 118.61 1upa h ASN 501 Ca 0.20 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1upa h ASN 501 Cb 0.02 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1upa h ASN 501 CO -0.03 1.21 0.34 0.40 -1.65 0.00 0.00 177.43 177.70 1upa h ILE 502 N 0.54 1.21 0.07 2.81 2.04 -0.94 -0.82 117.51 122.42 1upa h ILE 502 Ca 0.00 -0.57 -0.30 0.00 1.00 0.00 0.00 64.86 64.99 1upa h ILE 502 Cb 1.17 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1upa h ILE 502 CO 0.12 0.24 -1.62 1.23 0.00 0.00 0.00 178.15 178.12 1upa h GLY 503 N 1.02 0.18 0.00 5.37 0.00 -1.37 -3.41 103.07 104.85 1upa h GLY 503 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1upa h GLY 503 CO -0.03 0.40 0.00 1.42 0.00 0.00 0.00 176.54 178.32 1upa n HIS 504 N -3.32 0.00 -1.82 5.60 8.25 -0.41 -5.02 115.22 118.50 1upa n HIS 504 Ca -0.18 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.11 1upa n HIS 504 Cb 1.04 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.10 1upa n HIS 504 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1upa n HIS 505 N -0.20 -0.31 -3.85 4.41 -0.00 -0.32 -4.97 115.22 109.99 1upa n HIS 505 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1upa n HIS 505 Cb 0.07 -3.20 -0.01 0.00 -0.00 0.00 0.00 29.99 26.86 1upa n HIS 505 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1upa s ARG 506 N -4.01 1.92 0.26 -0.41 1.70 -1.26 -4.96 118.95 112.20 1upa s ARG 506 Ca 0.00 -1.14 0.06 0.00 -0.47 0.00 0.00 55.73 54.18 1upa s ARG 506 Cb 0.00 0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 1upa s ARG 506 CO 0.00 -0.89 0.31 -1.12 -1.08 0.00 0.00 175.30 172.52 1upa s SER 507 N -2.97 5.91 -0.29 -2.89 0.01 -1.26 -3.32 113.70 108.89 1upa s SER 507 Ca 0.13 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 1upa s SER 507 Cb -0.06 -1.54 0.10 0.00 0.21 0.00 0.00 66.02 64.73 1upa s SER 507 CO 0.08 -0.13 0.11 -2.28 0.41 0.00 0.00 173.24 171.44 1upa s HIS 508 N -2.09 0.74 0.35 2.43 2.46 -1.26 -5.06 115.29 112.86 1upa s HIS 508 Ca 0.36 -1.09 0.02 0.00 0.47 0.00 0.00 55.06 54.82 1upa s HIS 508 Cb -0.08 -1.13 0.64 0.00 -0.13 0.00 0.00 32.58 31.88 1upa s HIS 508 CO 0.28 -0.82 2.00 -0.44 -2.47 0.00 0.00 174.74 173.29 1upa h ASP 509 N 8.31 0.70 0.00 9.88 3.32 -1.98 -2.75 116.42 133.90 1upa h ASP 509 Ca -0.18 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1upa h ASP 509 Cb 1.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1upa h ASP 509 CO 0.44 0.53 0.10 -0.65 -1.72 0.00 0.00 179.24 177.94 1upa h PRO 510 N 0.82 0.00 -0.01 3.56 0.11 -1.97 0.15 132.00 134.66 1upa h PRO 510 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1upa h PRO 510 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1upa h PRO 510 CO -0.04 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 177.13 1upa n ALA 511 N -1.94 3.88 0.00 -0.75 0.00 -1.03 -4.65 120.51 116.02 1upa n ALA 511 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1upa n ALA 511 Cb 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1upa n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upa n VAL 512 N -0.59 0.00 -3.82 0.00 0.24 -0.74 -4.98 118.33 108.44 1upa n VAL 512 Ca 0.08 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.34 61.99 1upa n VAL 512 Cb 0.41 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 1upa n VAL 512 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1upa s LYS 513 N -0.21 3.76 0.36 7.34 -0.14 0.46 -1.25 119.74 130.06 1upa s LYS 513 Ca 0.00 -0.17 0.08 0.00 -1.36 0.00 0.00 55.97 54.52 1upa s LYS 513 Cb 0.00 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1upa s LYS 513 CO 0.00 0.57 0.20 -0.06 -0.76 0.00 0.00 175.35 175.30 1upa s PHE 514 N -0.44 2.73 0.27 3.18 0.08 -0.79 -4.88 117.98 118.14 1upa s PHE 514 Ca 0.12 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 1upa s PHE 514 Cb -0.12 -1.76 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1upa s PHE 514 CO 0.01 0.24 0.37 0.41 -0.10 0.00 0.00 175.22 176.16 1upa n GLY 515 N -1.24 -0.15 3.71 4.36 0.00 -1.26 -4.80 105.19 105.81 1upa n GLY 515 Ca -0.02 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1upa n GLY 515 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upa s GLY 516 N -3.56 2.33 -0.10 -0.02 0.00 -1.26 -4.89 107.32 99.83 1upa s GLY 516 Ca 0.23 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.84 1upa s GLY 516 CO 0.15 2.09 -0.17 0.14 0.00 0.00 0.00 173.10 175.32 1upa s VAL 517 N 1.16 2.77 -0.69 1.40 1.01 -1.26 -5.08 120.40 119.70 1upa s VAL 517 Ca 0.59 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1upa s VAL 517 Cb -0.30 -2.11 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1upa s VAL 517 CO 0.29 0.55 0.75 -0.62 0.00 0.00 0.00 175.10 176.07 1upa s ASP 518 N 0.03 6.39 0.44 3.32 -1.08 -1.26 -4.89 116.67 119.64 1upa s ASP 518 Ca -0.06 -1.89 0.27 0.00 -0.52 0.00 0.00 52.55 50.35 1upa s ASP 518 Cb -0.15 -2.28 0.79 0.00 -1.46 0.00 0.00 42.92 39.83 1upa s ASP 518 CO 0.05 -0.94 1.77 -0.26 0.52 0.00 0.00 175.17 176.31 1upa h PHE 519 N 8.75 0.00 0.37 -5.34 0.04 -1.98 -0.97 116.94 117.80 1upa h PHE 519 Ca -0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1upa h PHE 519 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1upa h PHE 519 CO 0.92 0.00 -0.18 0.28 -0.60 0.00 0.00 178.31 178.73 1upa h VAL 520 N 0.00 0.64 -0.10 -0.55 2.07 -1.90 -1.77 116.25 114.64 1upa h VAL 520 Ca 0.00 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1upa h VAL 520 Cb 0.76 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1upa h VAL 520 CO 0.00 0.06 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 1upa h ALA 521 N -0.12 1.41 0.07 1.67 0.00 -1.91 -1.84 119.26 118.54 1upa h ALA 521 Ca -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1upa h ALA 521 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1upa h ALA 521 CO 0.08 0.42 -0.03 1.25 0.00 0.00 0.00 179.25 180.97 1upa h LEU 522 N 0.16 -0.08 -0.63 0.00 5.85 -1.16 -0.84 115.31 118.62 1upa h LEU 522 Ca 0.03 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1upa h LEU 522 Cb 0.52 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1upa h LEU 522 CO 0.04 0.20 0.31 0.00 -0.34 0.00 0.00 178.44 178.64 1upa h ALA 523 N 0.55 0.84 -0.28 1.25 0.00 -1.12 -2.47 119.26 118.03 1upa h ALA 523 Ca -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1upa h ALA 523 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1upa h ALA 523 CO 0.02 -0.06 -0.16 0.93 0.00 0.00 0.00 179.25 179.98 1upa h GLU 524 N 0.56 0.49 -0.01 0.00 5.08 -1.05 -0.47 114.58 119.19 1upa h GLU 524 Ca 0.30 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1upa h GLU 524 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1upa h GLU 524 CO -0.22 0.64 -0.11 0.00 -1.00 0.00 0.00 179.01 178.31 1upa h ALA 525 N 1.38 1.80 -0.19 3.43 0.00 -0.71 -1.48 119.26 123.49 1upa h ALA 525 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1upa h ALA 525 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1upa h ALA 525 CO 0.03 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.53 1upa n ASN 526 N -4.40 1.57 -0.04 0.00 3.02 -0.36 -4.93 115.26 110.13 1upa n ASN 526 Ca -0.03 -1.75 -0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1upa n ASN 526 Cb 0.19 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1upa n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upa n GLY 527 N 1.08 0.39 3.31 7.41 0.00 -0.56 -4.35 105.19 112.48 1upa n GLY 527 Ca 0.15 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1upa n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upa s VAL 528 N -2.02 3.36 0.45 1.61 1.01 -0.33 -4.88 120.40 119.60 1upa s VAL 528 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1upa s VAL 528 Cb 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 1upa s VAL 528 CO 0.00 0.43 1.28 -1.81 0.00 0.00 0.00 175.10 175.00 1upa s ASP 529 N 1.44 6.06 0.17 3.32 1.01 -1.26 -2.55 116.67 124.85 1upa s ASP 529 Ca 0.05 2.60 -0.10 0.00 0.71 0.00 0.00 52.55 55.81 1upa s ASP 529 Cb -0.14 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.16 1upa s ASP 529 CO -0.03 -1.02 0.32 0.00 0.21 0.00 0.00 175.17 174.65 1upa s ALA 530 N -1.33 -0.17 0.17 5.23 0.00 -1.26 -1.54 121.76 122.85 1upa s ALA 530 Ca 0.61 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 1upa s ALA 530 Cb -0.36 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1upa s ALA 530 CO 0.46 -0.67 0.48 -0.08 0.00 0.00 0.00 175.76 175.95 1upa s THR 531 N -3.95 0.04 -0.12 0.00 -1.32 -0.45 -4.95 115.64 104.89 1upa s THR 531 Ca 0.15 -0.70 -0.06 0.00 -1.21 0.00 0.00 61.69 59.87 1upa s THR 531 Cb 0.03 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 1upa s THR 531 CO -0.01 -0.17 0.09 -0.60 -2.21 0.00 0.00 174.62 171.71 1upa s ARG 532 N -3.85 3.38 -0.05 7.08 3.52 -1.26 -1.60 118.95 126.17 1upa s ARG 532 Ca 0.07 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1upa s ARG 532 Cb 0.00 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1upa s ARG 532 CO -0.06 0.69 -0.06 0.00 -0.81 0.00 0.00 175.30 175.06 1upa s ALA 533 N -0.80 0.79 -0.32 6.12 0.00 -0.38 -4.93 121.76 122.25 1upa s ALA 533 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1upa s ALA 533 Cb -0.12 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1upa s ALA 533 CO 0.03 -0.03 0.53 0.25 0.00 0.00 0.00 175.76 176.54 1upa n THR 534 N 4.08 0.00 -3.96 0.00 -2.24 -1.26 -4.22 114.28 106.68 1upa n THR 534 Ca -0.23 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.96 1upa n THR 534 Cb 0.51 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1upa n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upa s ASN 535 N -0.35 0.06 0.23 3.42 2.20 -1.26 -4.99 114.94 114.26 1upa s ASN 535 Ca 0.03 -1.00 -0.07 0.00 -0.94 0.00 0.00 52.86 50.88 1upa s ASN 535 Cb 0.02 0.67 0.38 0.00 -2.00 0.00 0.00 41.25 40.32 1upa s ASN 535 CO 0.04 -1.29 1.69 0.03 -2.94 0.00 0.00 177.10 174.63 1upa h ARG 536 N 2.15 0.25 -0.40 3.55 3.08 -1.96 -1.33 114.38 119.71 1upa h ARG 536 Ca -0.26 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1upa h ARG 536 Cb 1.25 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1upa h ARG 536 CO 0.34 0.16 0.18 1.49 -1.07 0.00 0.00 179.97 181.08 1upa h GLU 537 N 0.26 0.59 -0.16 0.04 4.81 -1.99 0.18 114.58 118.31 1upa h GLU 537 Ca 0.37 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1upa h GLU 537 Cb 0.60 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1upa h GLU 537 CO -0.47 0.54 -0.60 0.93 -0.73 0.00 0.00 179.01 178.67 1upa h GLU 538 N 0.51 0.52 -0.12 1.92 5.08 -1.90 -2.40 114.58 118.20 1upa h GLU 538 Ca 0.14 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1upa h GLU 538 Cb 0.15 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1upa h GLU 538 CO -0.01 0.97 -0.02 1.25 -1.00 0.00 0.00 179.01 180.20 1upa h LEU 539 N 0.39 0.22 -0.25 1.33 5.85 -0.90 -0.77 115.31 121.18 1upa h LEU 539 Ca -0.00 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1upa h LEU 539 Cb 1.15 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1upa h LEU 539 CO 0.11 0.51 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.53 1upa h LEU 540 N -0.08 -0.40 -0.24 2.25 3.38 -1.00 0.14 115.31 119.35 1upa h LEU 540 Ca 0.03 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1upa h LEU 540 Cb 0.41 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1upa h LEU 540 CO 0.01 -0.15 0.02 0.00 0.09 0.00 0.00 178.44 178.41 1upa h ALA 541 N 1.11 0.23 -0.54 1.53 0.00 -1.35 -0.59 119.26 119.64 1upa h ALA 541 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1upa h ALA 541 Cb 0.29 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1upa h ALA 541 CO -0.30 -0.40 0.31 0.00 0.00 0.00 0.00 179.25 178.86 1upa h ALA 542 N 1.19 0.69 -0.62 0.00 0.00 -0.84 -0.17 119.26 119.51 1upa h ALA 542 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1upa h ALA 542 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1upa h ALA 542 CO -0.17 0.20 0.09 -0.07 0.00 0.00 0.00 179.25 179.30 1upa h LEU 543 N 0.73 0.97 -0.67 0.00 3.38 -0.53 -1.34 115.31 117.84 1upa h LEU 543 Ca 0.19 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1upa h LEU 543 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1upa h LEU 543 CO -0.03 0.97 -0.32 0.03 0.09 0.00 0.00 178.44 179.18 1upa h ARG 544 N 0.95 0.68 0.35 1.13 3.08 -0.55 -0.93 114.38 119.10 1upa h ARG 544 Ca 0.19 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1upa h ARG 544 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1upa h ARG 544 CO 0.01 0.91 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.43 1upa h LYS 545 N 0.57 -0.45 -0.77 0.04 3.64 -0.86 -2.58 116.57 116.16 1upa h LYS 545 Ca 0.06 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1upa h LYS 545 Cb 0.83 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 1upa h LYS 545 CO 0.07 -0.28 0.51 0.78 -2.27 0.00 0.00 179.45 178.26 1upa h GLY 546 N -0.50 1.08 1.91 5.01 0.00 -1.15 -1.61 103.07 107.81 1upa h GLY 546 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1upa h GLY 546 CO 0.08 0.38 -0.36 0.00 0.00 0.00 0.00 176.54 176.64 1upa h ALA 547 N 1.53 1.30 -0.17 3.60 0.00 -1.02 -3.01 119.26 121.49 1upa h ALA 547 Ca 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1upa h ALA 547 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1upa h ALA 547 CO -0.07 0.50 0.00 -0.85 0.00 0.00 0.00 179.25 178.83 1upa n GLU 548 N -4.09 2.09 0.19 0.00 0.28 -0.98 -4.59 120.64 113.53 1upa n GLU 548 Ca -0.02 -1.92 0.07 0.00 -0.16 0.00 0.00 57.16 55.14 1upa n GLU 548 Cb 0.42 -1.42 0.26 0.00 1.43 0.00 0.00 31.44 32.13 1upa n GLU 548 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1upa h LEU 549 N 4.03 0.00 1.62 -1.84 5.85 -1.16 -3.47 115.31 120.33 1upa h LEU 549 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 1upa h LEU 549 Cb 0.88 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 1upa h LEU 549 CO 0.00 0.32 -0.42 0.61 -0.34 0.00 0.00 178.44 178.61 1upa n GLY 550 N 0.64 1.04 3.23 3.75 0.00 -1.26 -4.97 105.19 107.63 1upa n GLY 550 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1upa n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upa s ARG 551 N -4.14 0.86 0.78 1.61 0.52 -1.26 -4.83 118.95 112.49 1upa s ARG 551 Ca 0.00 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 1upa s ARG 551 Cb 0.00 0.36 0.07 0.00 0.52 0.00 0.00 34.95 35.90 1upa s ARG 551 CO 0.00 -0.29 1.20 -1.25 0.02 0.00 0.00 175.30 174.98 1upa s PRO 552 N -3.43 1.83 -0.07 3.54 0.04 -1.23 -4.56 135.00 131.12 1upa s PRO 552 Ca 0.01 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1upa s PRO 552 Cb 0.02 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1upa s PRO 552 CO -0.09 -2.06 0.27 0.12 0.04 0.00 0.00 177.00 175.29 1upa s PHE 553 N -2.14 -0.24 0.03 0.56 5.36 -0.71 -4.13 117.98 116.72 1upa s PHE 553 Ca 0.73 0.54 0.08 0.00 -0.96 0.00 0.00 56.93 57.32 1upa s PHE 553 Cb -0.28 0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1upa s PHE 553 CO 0.49 -0.22 -0.24 -1.17 -1.46 0.00 0.00 175.22 172.61 1upa s LEU 554 N -0.39 2.14 -0.12 6.12 0.20 -0.59 -0.88 118.68 125.16 1upa s LEU 554 Ca -0.05 -0.54 -0.00 0.00 0.69 0.00 0.00 54.13 54.23 1upa s LEU 554 Cb -0.03 -1.18 0.03 0.00 -0.43 0.00 0.00 46.19 44.57 1upa s LEU 554 CO 0.01 0.24 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.61 1upa s ILE 555 N -0.75 1.01 -0.12 6.68 1.01 0.66 -1.34 121.20 128.34 1upa s ILE 555 Ca 0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 1upa s ILE 555 Cb -0.09 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1upa s ILE 555 CO 0.01 0.34 0.40 -0.70 0.00 0.00 0.00 174.94 175.00 1upa s GLU 556 N 1.71 4.26 -0.16 2.79 2.12 -0.63 -0.57 118.70 128.23 1upa s GLU 556 Ca 0.05 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.70 1upa s GLU 556 Cb -0.13 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.88 1upa s GLU 556 CO -0.08 0.24 -0.15 0.08 -0.54 0.00 0.00 175.26 174.82 1upa s VAL 557 N 0.39 1.67 0.19 3.70 1.01 -0.11 -1.25 120.40 125.99 1upa s VAL 557 Ca 0.22 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1upa s VAL 557 Cb -0.14 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 1upa s VAL 557 CO 0.08 0.44 1.43 -2.16 0.00 0.00 0.00 175.10 174.89 1upa s PRO 558 N 1.44 4.29 0.24 2.72 0.04 -1.26 -1.11 135.00 141.35 1upa s PRO 558 Ca 0.04 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1upa s PRO 558 Cb -0.13 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1upa s PRO 558 CO -0.11 -0.44 0.03 0.14 0.04 0.00 0.00 177.00 176.67 1upa s VAL 559 N 0.56 0.84 0.07 -0.36 -7.23 -0.51 -4.48 120.40 109.28 1upa s VAL 559 Ca 0.63 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1upa s VAL 559 Cb -0.40 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 1upa s VAL 559 CO 0.36 -0.22 0.08 0.20 -0.31 0.00 0.00 175.10 175.21 1upa s ASN 560 N -3.30 0.30 -0.13 4.85 -0.87 -1.26 -4.28 114.94 110.24 1upa s ASN 560 Ca 0.31 -0.82 0.00 0.00 -1.57 0.00 0.00 52.86 50.78 1upa s ASN 560 Cb 0.07 0.27 -0.09 0.00 -0.02 0.00 0.00 41.25 41.48 1upa s ASN 560 CO 0.10 -0.67 -0.12 -1.22 -2.57 0.00 0.00 177.10 172.62 1upa n TYR 561 N 0.02 0.00 -3.29 2.20 4.01 -1.26 -4.68 117.16 114.16 1upa n TYR 561 Ca -0.14 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.41 1upa n TYR 561 Cb 0.62 -0.51 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1upa n TYR 561 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1upa n ASP 562 N -2.95 -6.24 0.00 7.72 5.68 -1.26 -5.11 116.55 114.39 1upa n ASP 562 Ca -0.24 0.21 0.08 0.00 -0.50 0.00 0.00 54.79 54.34 1upa n ASP 562 Cb 0.75 -2.05 0.45 0.00 -1.14 0.00 0.00 41.12 39.12 1upa n ASP 562 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36