#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r9a h GLU 3 N 0.00 0.43 -0.63 3.49 5.08 -2.05 -2.57 114.58 118.33 2r9a h GLU 3 Ca 0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2r9a h GLU 3 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2r9a h GLU 3 CO 0.00 0.36 0.26 -0.07 -1.00 0.00 0.00 179.01 178.56 2r9a h LEU 4 N 0.44 0.86 -0.64 1.33 3.38 -1.98 -0.72 115.31 117.97 2r9a h LEU 4 Ca 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2r9a h LEU 4 Cb 0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2r9a h LEU 4 CO -0.01 0.79 0.22 -0.08 0.09 0.00 0.00 178.44 179.44 2r9a h GLU 5 N 0.88 0.98 0.65 1.13 4.57 -1.92 -2.92 114.58 117.95 2r9a h GLU 5 Ca 0.21 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2r9a h GLU 5 Cb 0.19 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2r9a h GLU 5 CO -0.02 0.85 -0.31 1.96 -1.18 0.00 0.00 179.01 180.31 2r9a h GLN 6 N 0.91 -0.84 -0.24 1.92 1.08 -1.12 -2.55 115.11 114.28 2r9a h GLN 6 Ca 0.21 0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.53 2r9a h GLN 6 Cb 0.27 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2r9a h GLN 6 CO -0.01 -0.54 0.56 0.78 -0.95 0.00 0.00 178.83 178.67 2r9a h GLY 7 N -0.94 0.00 1.81 3.46 0.00 -1.21 -2.74 103.07 103.45 2r9a h GLY 7 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 2r9a h GLY 7 CO 0.15 0.00 -0.93 -2.00 0.00 0.00 0.00 176.54 173.75 2r9a h LEU 8 N 0.00 0.23 -1.24 3.11 5.85 -1.25 -3.31 115.31 118.69 2r9a h LEU 8 Ca 0.11 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2r9a h LEU 8 Cb 1.23 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2r9a h LEU 8 CO -0.00 1.04 0.00 0.18 -0.34 0.00 0.00 178.44 179.32 2r9a n LEU 9 N -3.60 0.00 -0.66 2.25 4.77 -1.04 -4.87 117.00 113.86 2r9a n LEU 9 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2r9a n LEU 9 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2r9a n LEU 9 CO 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 2r9a n GLN 11 N 0.52 0.00 -1.88 3.23 1.13 -1.25 -4.86 117.38 114.27 2r9a n GLN 11 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2r9a n GLN 11 Cb 0.00 -0.33 0.13 0.00 0.11 0.00 0.00 30.24 30.15 2r9a n GLN 11 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2r9a s PRO 12 N -2.59 1.43 -0.12 -1.09 0.04 -1.26 -4.94 135.00 126.47 2r9a s PRO 12 Ca 0.00 -0.06 -0.21 0.00 0.04 0.00 0.00 61.00 60.78 2r9a s PRO 12 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2r9a s PRO 12 CO 0.00 -1.93 0.60 -1.58 0.04 0.00 0.00 177.00 174.13 2r9a s TRP 13 N -3.66 3.50 0.37 0.56 0.52 -1.26 -4.49 118.94 114.48 2r9a s TRP 13 Ca 0.66 1.03 -0.11 0.00 0.02 0.00 0.00 56.10 57.71 2r9a s TRP 13 Cb -0.09 -2.71 -0.07 0.00 -1.15 0.00 0.00 33.47 29.46 2r9a s TRP 13 CO 0.51 0.05 0.73 0.00 0.02 0.00 0.00 176.95 178.26 2r9a s ALA 14 N 1.02 3.38 -0.13 0.98 0.00 0.50 -4.78 121.76 122.72 2r9a s ALA 14 Ca 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 2r9a s ALA 14 Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2r9a s ALA 14 CO 0.13 0.10 0.09 -0.46 0.00 0.00 0.00 175.76 175.62 2r9a s TRP 15 N -2.25 3.41 -0.01 0.00 -0.00 -1.26 -0.33 118.94 118.50 2r9a s TRP 15 Ca 0.51 0.34 0.07 0.00 -0.00 0.00 0.00 56.10 57.02 2r9a s TRP 15 Cb -0.10 -1.95 -0.02 0.00 -0.00 0.00 0.00 33.47 31.40 2r9a s TRP 15 CO 0.28 0.52 -0.23 -0.51 -0.00 0.00 0.00 176.95 177.01 2r9a s LEU 16 N -0.59 2.07 -0.38 5.86 1.43 0.16 -4.94 118.68 122.29 2r9a s LEU 16 Ca 0.12 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 2r9a s LEU 16 Cb -0.12 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.94 2r9a s LEU 16 CO 0.02 0.27 0.38 -1.10 0.23 0.00 0.00 176.35 176.15 2r9a s GLN 17 N -0.67 3.32 0.50 1.70 -0.21 -1.26 -1.66 119.66 121.38 2r9a s GLN 17 Ca 0.09 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.90 2r9a s GLN 17 Cb -0.09 -3.89 -0.00 0.00 1.00 0.00 0.00 33.01 30.03 2r9a s GLN 17 CO -0.00 -0.68 0.23 -0.51 -2.12 0.00 0.00 175.29 172.21 2r9a s LEU 18 N 2.03 2.69 -0.05 2.90 1.43 -0.16 -4.65 118.68 122.88 2r9a s LEU 18 Ca 0.11 -1.32 -0.26 0.00 -1.03 0.00 0.00 54.13 51.63 2r9a s LEU 18 Cb -0.17 -1.12 -0.21 0.00 0.03 0.00 0.00 46.19 44.71 2r9a s LEU 18 CO 0.12 -0.88 1.15 0.00 0.23 0.00 0.00 176.35 176.97 2r9a h ALA 19 N 1.10 -0.02 0.00 4.21 0.00 -1.98 -3.37 119.26 119.21 2r9a h ALA 19 Ca -0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2r9a h ALA 19 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2r9a h ALA 19 CO 0.65 -0.21 -1.35 0.39 0.00 0.00 0.00 179.25 178.73 2r9a n GLU 20 N -4.82 0.87 -2.65 0.00 1.02 -1.26 -5.04 120.64 108.76 2r9a n GLU 20 Ca -0.09 -0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 56.90 2r9a n GLU 20 Cb 0.29 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2r9a n GLU 20 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2r9a n ASN 21 N -1.79 -0.88 -4.44 1.62 0.23 -1.26 -5.17 115.26 103.58 2r9a n ASN 21 Ca -0.00 -1.91 -0.24 0.00 -0.53 0.00 0.00 54.58 51.90 2r9a n ASN 21 Cb 0.38 1.55 -0.10 0.00 -2.08 0.00 0.00 39.78 39.52 2r9a n ASN 21 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2r9a s SER 22 N -2.09 3.38 0.23 0.53 1.04 -1.26 -0.98 113.70 114.54 2r9a s SER 22 Ca 0.12 -0.99 0.10 0.00 0.48 0.00 0.00 55.95 55.67 2r9a s SER 22 Cb -0.01 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 2r9a s SER 22 CO 0.09 0.03 -0.19 -0.76 0.98 0.00 0.00 173.24 173.39 2r9a s LEU 23 N -3.26 2.53 -0.15 2.42 1.43 -0.66 -4.75 118.68 116.23 2r9a s LEU 23 Ca 0.26 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 2r9a s LEU 23 Cb -0.05 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2r9a s LEU 23 CO 0.12 -0.02 -0.01 -0.76 0.23 0.00 0.00 176.35 175.91 2r9a s LEU 24 N -3.19 3.41 -0.03 1.79 1.43 0.74 0.40 118.68 123.23 2r9a s LEU 24 Ca 0.24 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2r9a s LEU 24 Cb -0.04 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.38 2r9a s LEU 24 CO 0.11 0.21 -0.03 0.00 0.23 0.00 0.00 176.35 176.86 2r9a s ALA 25 N 0.13 0.54 0.01 4.21 0.00 0.55 -0.77 121.76 126.43 2r9a s ALA 25 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.04 2r9a s ALA 25 Cb -0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2r9a s ALA 25 CO 0.02 -0.00 -0.24 -1.59 0.00 0.00 0.00 175.76 173.95 2r9a s LYS 26 N 0.79 2.02 -0.07 0.00 -2.85 -0.71 -0.37 119.74 118.54 2r9a s LYS 26 Ca -0.10 -0.99 -0.10 0.00 -1.00 0.00 0.00 55.97 53.79 2r9a s LYS 26 Cb -0.13 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.60 2r9a s LYS 26 CO -0.00 0.54 0.26 0.54 0.10 0.00 0.00 175.35 176.79 2r9a s VAL 27 N -0.74 0.02 -0.26 1.79 0.11 -1.26 -1.97 120.40 118.09 2r9a s VAL 27 Ca 0.11 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2r9a s VAL 27 Cb -0.10 -0.43 0.07 0.00 -1.53 0.00 0.00 36.38 34.40 2r9a s VAL 27 CO 0.01 -0.10 -0.01 0.12 -3.33 0.00 0.00 175.10 171.80 2r9a s PHE 28 N -0.32 2.45 -0.12 1.54 5.36 -0.74 -4.92 117.98 121.24 2r9a s PHE 28 Ca -0.04 -1.93 -0.02 0.00 -0.96 0.00 0.00 56.93 53.98 2r9a s PHE 28 Cb -0.03 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.81 2r9a s PHE 28 CO 0.01 -0.82 -0.04 0.42 -1.46 0.00 0.00 175.22 173.33 2r9a s ILE 29 N 1.37 3.89 0.34 3.12 -1.09 -1.26 -3.16 121.20 124.41 2r9a s ILE 29 Ca -0.00 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 2r9a s ILE 29 Cb -0.19 -2.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2r9a s ILE 29 CO -0.10 0.54 0.14 0.35 -1.23 0.00 0.00 174.94 174.64 2r9a n THR 30 N 2.92 0.00 0.27 2.92 -2.24 -0.90 -5.00 114.28 112.25 2r9a n THR 30 Ca -0.18 -2.05 0.07 0.00 -2.27 0.00 0.00 64.05 59.63 2r9a n THR 30 Cb 0.53 0.76 0.34 0.00 -2.10 0.00 0.00 70.33 69.86 2r9a n THR 30 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2r9a n LYS 31 N -0.77 0.08 0.08 -0.78 2.85 -1.26 -3.20 118.16 115.16 2r9a n LYS 31 Ca -0.04 0.45 0.08 0.00 -1.05 0.00 0.00 58.31 57.75 2r9a n LYS 31 Cb 0.53 -1.70 -0.02 0.00 -0.65 0.00 0.00 35.03 33.19 2r9a n LYS 31 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2r9a n GLN 32 N -1.85 0.61 0.00 -1.58 -0.06 -1.26 -4.81 117.38 108.43 2r9a n GLN 32 Ca 0.01 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 2r9a n GLN 32 Cb 0.11 -1.82 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 2r9a n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2r9a n GLY 33 N 1.24 -0.08 3.57 1.69 0.00 -1.20 -3.00 105.19 107.42 2r9a n GLY 33 Ca -0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2r9a n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r9a s TYR 34 N -4.00 -0.22 -0.07 1.61 -0.85 -0.39 -2.11 117.35 111.32 2r9a s TYR 34 Ca 0.00 -0.12 -0.03 0.00 -0.52 0.00 0.00 57.07 56.40 2r9a s TYR 34 Cb 0.00 0.50 0.04 0.00 0.38 0.00 0.00 41.96 42.88 2r9a s TYR 34 CO 0.00 -0.97 0.15 0.00 -1.52 0.00 0.00 175.55 173.21 2r9a s ALA 35 N -3.86 -0.28 0.02 9.51 0.00 -1.19 0.08 121.76 126.05 2r9a s ALA 35 Ca 0.08 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2r9a s ALA 35 Cb -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2r9a s ALA 35 CO -0.03 -0.18 -0.11 -1.17 0.00 0.00 0.00 175.76 174.27 2r9a s LEU 36 N 1.25 2.13 -0.11 0.00 2.96 0.99 -1.79 118.68 124.11 2r9a s LEU 36 Ca -0.08 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2r9a s LEU 36 Cb -0.12 -0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.15 2r9a s LEU 36 CO -0.06 0.01 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.63 2r9a s LEU 37 N -0.88 1.59 0.11 -0.68 2.96 -0.83 -1.55 118.68 119.40 2r9a s LEU 37 Ca -0.00 -0.39 0.10 0.00 -0.22 0.00 0.00 54.13 53.62 2r9a s LEU 37 Cb -0.07 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 2r9a s LEU 37 CO 0.01 -0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.10 2r9a s VAL 38 N 1.15 2.56 -0.06 1.68 1.01 0.17 -1.74 120.40 125.18 2r9a s VAL 38 Ca -0.04 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.26 2r9a s VAL 38 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2r9a s VAL 38 CO -0.03 0.13 0.25 -0.55 0.00 0.00 0.00 175.10 174.89 2r9a s SER 39 N -2.01 -0.20 0.00 3.32 0.15 0.05 0.55 113.70 115.57 2r9a s SER 39 Ca 0.16 0.29 0.09 0.00 0.70 0.00 0.00 55.95 57.19 2r9a s SER 39 Cb -0.10 0.42 0.23 0.00 -1.71 0.00 0.00 66.02 64.86 2r9a s SER 39 CO 0.08 -0.22 1.16 -0.90 1.20 0.00 0.00 173.24 174.56 2r9a n ASP 40 N 2.30 2.64 -0.33 5.45 5.75 -1.02 -0.19 116.55 131.16 2r9a n ASP 40 Ca -0.17 -1.93 -0.04 0.00 -0.01 0.00 0.00 54.79 52.64 2r9a n ASP 40 Cb 0.57 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.48 2r9a n ASP 40 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2r9a n LEU 41 N 0.35 -0.26 0.00 -2.12 4.77 -1.26 -4.73 117.00 113.75 2r9a n LEU 41 Ca 0.09 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2r9a n LEU 41 Cb 0.37 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2r9a n LEU 41 CO 0.06 -0.28 -0.39 0.00 -1.33 0.00 0.00 177.39 175.45 2r9a n GLN 42 N -2.64 0.00 -4.41 3.23 1.13 -1.26 -5.13 117.38 108.30 2r9a n GLN 42 Ca -0.04 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.81 2r9a n GLN 42 Cb 0.17 -0.39 -0.10 0.00 0.11 0.00 0.00 30.24 30.02 2r9a n GLN 42 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2r9a s GLN 43 N -2.00 1.50 -0.06 -1.09 -0.21 -1.26 -5.15 119.66 111.39 2r9a s GLN 43 Ca 0.00 -1.76 0.02 0.00 0.02 0.00 0.00 55.36 53.64 2r9a s GLN 43 Cb 0.00 -1.07 0.01 0.00 1.00 0.00 0.00 33.01 32.95 2r9a s GLN 43 CO 0.00 0.03 -0.11 0.08 -2.12 0.00 0.00 175.29 173.16 2r9a s VAL 44 N -3.07 1.07 0.23 1.09 1.01 -1.26 -2.43 120.40 117.03 2r9a s VAL 44 Ca 0.29 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2r9a s VAL 44 Cb 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2r9a s VAL 44 CO 0.11 0.34 -0.12 0.26 0.00 0.00 0.00 175.10 175.69 2r9a s TRP 45 N 0.71 2.51 0.02 5.22 0.51 0.19 -0.25 118.94 127.85 2r9a s TRP 45 Ca -0.14 -0.27 0.02 0.00 -2.12 0.00 0.00 56.10 53.59 2r9a s TRP 45 Cb -0.16 -1.16 -0.01 0.00 -0.81 0.00 0.00 33.47 31.33 2r9a s TRP 45 CO 0.03 0.60 -0.06 -1.58 -0.51 0.00 0.00 176.95 175.43 2r9a s HIS 46 N -2.10 0.51 -0.19 -1.98 5.65 -1.26 -0.65 115.29 115.27 2r9a s HIS 46 Ca 0.28 -0.27 -0.10 0.00 0.25 0.00 0.00 55.06 55.21 2r9a s HIS 46 Cb -0.07 -0.32 0.06 0.00 -1.18 0.00 0.00 32.58 31.07 2r9a s HIS 46 CO 0.16 -0.05 0.45 -2.00 -0.65 0.00 0.00 174.74 172.65 2r9a s GLU 47 N -0.78 0.44 -0.04 2.88 2.12 -0.60 -4.44 118.70 118.29 2r9a s GLU 47 Ca -0.04 0.85 0.05 0.00 0.36 0.00 0.00 54.97 56.19 2r9a s GLU 47 Cb -0.06 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 2r9a s GLU 47 CO 0.00 -0.16 -0.18 1.14 -0.54 0.00 0.00 175.26 175.52 2r9a s GLN 48 N 1.43 1.83 0.01 4.30 -2.07 -1.26 -0.01 119.66 123.89 2r9a s GLN 48 Ca -0.10 -0.66 -0.04 0.00 -1.82 0.00 0.00 55.36 52.74 2r9a s GLN 48 Cb -0.08 -1.62 -0.01 0.00 -1.09 0.00 0.00 33.01 30.22 2r9a s GLN 48 CO -0.14 0.29 0.07 0.08 -1.32 0.00 0.00 175.29 174.27 2r9a s VAL 49 N -0.08 0.09 0.49 3.63 1.01 0.11 -4.98 120.40 120.68 2r9a s VAL 49 Ca -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2r9a s VAL 49 Cb -0.11 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2r9a s VAL 49 CO 0.02 -0.43 0.30 -0.90 0.00 0.00 0.00 175.10 174.09 2r9a n ASP 50 N 1.51 2.74 0.09 3.32 5.68 -1.26 -1.27 116.55 127.36 2r9a n ASP 50 Ca -0.23 -2.79 0.12 0.00 -0.50 0.00 0.00 54.79 51.39 2r9a n ASP 50 Cb 0.55 0.04 0.46 0.00 -1.14 0.00 0.00 41.12 41.03 2r9a n ASP 50 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2r9a n THR 51 N -1.57 0.61 -0.05 2.12 -2.24 -1.16 -2.63 114.28 109.36 2r9a n THR 51 Ca -0.05 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2r9a n THR 51 Cb 0.57 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 2r9a n THR 51 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2r9a h SER 52 N 0.00 0.27 0.07 3.42 0.02 -1.96 -3.04 113.55 112.32 2r9a h SER 52 Ca 0.00 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 2r9a h SER 52 Cb 0.54 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2r9a h SER 52 CO 0.00 0.51 -0.18 0.58 -1.14 0.00 0.00 176.83 176.60 2r9a h VAL 53 N 0.02 1.20 0.02 2.27 2.07 -1.92 -3.01 116.25 116.90 2r9a h VAL 53 Ca 0.04 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2r9a h VAL 53 Cb 0.37 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2r9a h VAL 53 CO 0.01 0.28 -0.01 0.58 0.02 0.00 0.00 177.57 178.44 2r9a h VAL 54 N 0.21 1.15 -0.11 2.57 2.07 -1.39 -0.21 116.25 120.53 2r9a h VAL 54 Ca 0.04 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 2r9a h VAL 54 Cb 0.45 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2r9a h VAL 54 CO 0.03 0.13 -0.56 0.77 0.02 0.00 0.00 177.57 177.96 2r9a h SER 55 N -0.25 0.38 0.38 0.57 4.64 -1.51 -0.63 113.55 117.14 2r9a h SER 55 Ca -0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2r9a h SER 55 Cb 0.24 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2r9a h SER 55 CO 0.00 0.86 -0.18 -0.61 -0.87 0.00 0.00 176.83 176.04 2r9a h GLN 56 N 0.26 -0.49 -0.78 4.77 4.15 -1.44 -2.33 115.11 119.25 2r9a h GLN 56 Ca 0.00 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2r9a h GLN 56 Cb 1.06 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 2r9a h GLN 56 CO 0.09 -0.27 0.41 -0.09 -1.93 0.00 0.00 178.83 177.05 2r9a h ARG 57 N -0.62 1.09 -0.26 1.69 2.43 -0.91 -1.81 114.38 116.00 2r9a h ARG 57 Ca -0.05 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 2r9a h ARG 57 Cb 0.45 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2r9a h ARG 57 CO 0.09 0.81 -0.34 0.00 -1.51 0.00 0.00 179.97 179.02 2r9a h ALA 58 N 1.35 0.94 -0.60 2.80 0.00 -1.14 -2.39 119.26 120.21 2r9a h ALA 58 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2r9a h ALA 58 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2r9a h ALA 58 CO -0.04 0.62 0.13 -0.22 0.00 0.00 0.00 179.25 179.73 2r9a h LYS 59 N 0.47 0.96 -0.14 0.00 3.64 -0.97 0.16 116.57 120.68 2r9a h LYS 59 Ca 0.05 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 2r9a h LYS 59 Cb 0.81 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2r9a h LYS 59 CO 0.07 0.87 -0.30 0.93 -2.27 0.00 0.00 179.45 178.74 2r9a h GLU 60 N 0.91 0.27 0.00 1.90 5.08 -1.05 -3.34 114.58 118.36 2r9a h GLU 60 Ca 0.19 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 2r9a h GLU 60 Cb 0.36 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2r9a h GLU 60 CO 0.00 0.55 -2.16 1.28 -1.00 0.00 0.00 179.01 177.69 2r9a n LEU 61 N -4.12 0.00 -4.14 1.33 4.32 -0.93 -4.84 117.00 108.63 2r9a n LEU 61 Ca -0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.65 2r9a n LEU 61 Cb 0.40 0.28 -0.16 0.00 -1.62 0.00 0.00 43.42 42.32 2r9a n LEU 61 CO 0.41 0.28 -0.52 0.20 -1.22 0.00 0.00 177.39 176.54 2r9a s ASN 62 N -4.95 3.25 -0.08 -1.43 0.01 0.52 -4.71 114.94 107.55 2r9a s ASN 62 Ca -0.09 -0.64 0.10 0.00 -0.71 0.00 0.00 52.86 51.53 2r9a s ASN 62 Cb 0.09 -1.50 -0.15 0.00 0.41 0.00 0.00 41.25 40.10 2r9a s ASN 62 CO 0.81 -0.00 0.10 0.29 -1.51 0.00 0.00 177.10 176.78 2r9a n LYS 63 N 4.63 1.68 0.20 -0.60 4.76 -1.26 -4.56 118.16 123.01 2r9a n LYS 63 Ca -0.21 -0.04 0.14 0.00 -2.87 0.00 0.00 58.31 55.34 2r9a n LYS 63 Cb 0.50 -1.28 0.57 0.00 -1.84 0.00 0.00 35.03 32.98 2r9a n LYS 63 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2r9a h ARG 64 N 0.00 0.00 -3.40 1.97 3.08 -1.93 -3.46 114.38 110.65 2r9a h ARG 64 Ca -0.21 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 2r9a h ARG 64 Cb 1.33 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.26 2r9a h ARG 64 CO 0.01 0.00 -0.05 -1.17 -1.07 0.00 0.00 179.97 177.69 2r9a s LEU 65 N -5.32 0.32 0.26 3.04 2.96 -1.26 -5.10 118.68 113.57 2r9a s LEU 65 Ca 0.03 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2r9a s LEU 65 Cb 0.09 1.90 -0.01 0.00 0.50 0.00 0.00 46.19 48.67 2r9a s LEU 65 CO 0.48 -0.93 0.39 0.28 -1.32 0.00 0.00 176.35 175.25 2r9a s THR 66 N -3.84 0.00 -0.15 3.68 -1.32 -1.26 -4.85 115.64 107.90 2r9a s THR 66 Ca 0.06 -1.60 -0.34 0.00 -1.21 0.00 0.00 61.69 58.60 2r9a s THR 66 Cb 0.01 -2.37 0.15 0.00 -1.51 0.00 0.00 72.50 68.78 2r9a s THR 66 CO -0.08 0.00 1.41 0.00 -2.21 0.00 0.00 174.62 173.74 2r9a s ALA 67 N -3.85 -2.40 0.57 11.08 0.00 -1.26 -5.14 121.76 120.77 2r9a s ALA 67 Ca 0.28 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 2r9a s ALA 67 Cb 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2r9a s ALA 67 CO 0.12 -0.90 1.14 -2.14 0.00 0.00 0.00 175.76 173.98 2r9a s PRO 68 N -2.06 3.19 0.28 0.00 0.02 -1.26 -4.89 135.00 130.28 2r9a s PRO 68 Ca 0.14 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.79 2r9a s PRO 68 Cb 0.05 -1.98 0.64 0.00 0.02 0.00 0.00 34.50 33.23 2r9a s PRO 68 CO -0.05 -0.98 1.75 -1.35 -0.33 0.00 0.00 177.00 176.04 2r9a h PRO 69 N 0.95 0.61 -0.01 5.54 0.11 -1.95 -0.46 132.00 136.80 2r9a h PRO 69 Ca -0.50 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2r9a h PRO 69 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2r9a h PRO 69 CO 0.56 0.41 -0.23 0.00 -0.21 0.00 0.00 178.00 178.52 2r9a h ALA 70 N 1.62 1.60 -0.22 -0.75 0.00 -1.91 -0.98 119.26 118.62 2r9a h ALA 70 Ca 0.52 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2r9a h ALA 70 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2r9a h ALA 70 CO -0.40 0.30 -0.57 0.00 0.00 0.00 0.00 179.25 178.58 2r9a h ALA 71 N 1.76 0.58 -0.39 0.00 0.00 -1.45 -0.45 119.26 119.30 2r9a h ALA 71 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2r9a h ALA 71 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2r9a h ALA 71 CO 0.03 0.69 0.24 0.74 0.00 0.00 0.00 179.25 180.95 2r9a h PHE 72 N 0.52 0.51 -0.83 0.00 0.04 -0.99 -0.05 116.94 116.14 2r9a h PHE 72 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2r9a h PHE 72 Cb 1.15 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 39.09 2r9a h PHE 72 CO 0.06 0.36 0.52 -0.07 -0.60 0.00 0.00 178.31 178.58 2r9a h LEU 73 N 0.51 0.97 -0.83 1.54 3.38 -1.22 -0.87 115.31 118.80 2r9a h LEU 73 Ca 0.14 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2r9a h LEU 73 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2r9a h LEU 73 CO -0.03 0.73 -0.11 0.00 0.09 0.00 0.00 178.44 179.13 2r9a h HIS 75 N 0.69 0.61 -0.18 0.00 -0.00 -0.49 -2.66 115.15 113.11 2r9a h HIS 75 Ca 0.12 -0.19 -0.11 0.00 -0.00 0.00 0.00 60.37 60.18 2r9a h HIS 75 Cb 0.58 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2r9a h HIS 75 CO 0.03 0.87 -0.37 -0.07 -0.00 0.00 0.00 177.93 178.39 2r9a h LEU 76 N 0.40 0.42 -0.62 0.26 3.38 -0.72 -2.39 115.31 116.04 2r9a h LEU 76 Ca 0.02 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.90 2r9a h LEU 76 Cb 0.97 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2r9a h LEU 76 CO 0.09 0.76 0.30 -0.78 0.09 0.00 0.00 178.44 178.89 2r9a h ASP 77 N 0.34 0.40 -0.82 -0.43 3.58 -0.66 -0.59 116.42 118.23 2r9a h ASP 77 Ca 0.04 0.05 0.13 0.00 0.42 0.00 0.00 57.03 57.67 2r9a h ASP 77 Cb 0.81 -0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.76 2r9a h ASP 77 CO 0.07 0.25 0.42 0.78 -2.88 0.00 0.00 179.24 177.87 2r9a h ASN 78 N 0.54 0.51 0.00 2.28 4.21 -1.09 -3.51 115.58 118.52 2r9a h ASN 78 Ca 0.29 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.89 2r9a h ASN 78 Cb 0.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 2r9a h ASN 78 CO -0.23 0.23 0.00 -0.11 -1.29 0.00 0.00 177.43 176.03 2r9a n LEU 79 N -4.87 0.00 0.00 1.61 7.94 -0.23 -5.13 117.00 116.32 2r9a n LEU 79 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2r9a n LEU 79 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 2r9a n LEU 79 CO 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.50 2r9a n ALA 93 N 0.28 0.00 -3.16 1.96 0.00 -1.26 -5.10 120.51 113.23 2r9a n ALA 93 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2r9a n ALA 93 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2r9a n ALA 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2r9a s THR 94 N -0.45 4.05 -0.11 0.00 2.01 -0.35 -4.95 115.64 115.83 2r9a s THR 94 Ca 0.00 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 2r9a s THR 94 Cb 0.00 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 2r9a s THR 94 CO 0.00 0.37 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.89 2r9a s PHE 95 N 1.48 2.98 0.10 4.92 0.40 -1.26 -1.25 117.98 125.35 2r9a s PHE 95 Ca 0.06 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2r9a s PHE 95 Cb -0.15 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 2r9a s PHE 95 CO 0.02 0.13 0.03 -1.54 0.70 0.00 0.00 175.22 174.55 2r9a s SER 96 N -0.18 0.37 0.18 1.36 1.04 -0.39 -4.64 113.70 111.44 2r9a s SER 96 Ca 0.03 -1.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 2r9a s SER 96 Cb -0.13 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2r9a s SER 96 CO 0.03 -0.68 0.46 0.00 0.98 0.00 0.00 173.24 174.02 2r9a s ASP 98 N -2.88 0.32 -0.24 0.00 1.01 -0.99 -5.01 116.67 108.89 2r9a s ASP 98 Ca 0.09 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.92 2r9a s ASP 98 Cb 0.00 0.08 0.05 0.00 1.01 0.00 0.00 42.92 44.06 2r9a s ASP 98 CO -0.04 -0.25 -0.10 0.00 0.21 0.00 0.00 175.17 174.99 2r9a s VAL 100 N 1.24 4.96 0.00 0.00 0.11 -0.72 -4.98 120.40 121.01 2r9a s VAL 100 Ca -0.06 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2r9a s VAL 100 Cb -0.19 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2r9a s VAL 100 CO -0.06 0.09 0.00 0.00 -3.33 0.00 0.00 175.10 171.80 2r9a n ALA 101 N 5.04 0.00 0.90 1.54 0.00 -1.26 0.24 120.51 126.97 2r9a n ALA 101 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2r9a n ALA 101 Cb 0.50 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.09 2r9a n ALA 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2r9a n ASP 102 N 2.30 1.84 -4.73 0.00 8.00 -1.26 -4.81 116.55 117.90 2r9a n ASP 102 Ca 0.00 -2.05 -0.36 0.00 0.71 0.00 0.00 54.79 53.09 2r9a n ASP 102 Cb 0.00 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 2r9a n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r9a s ALA 103 N -1.61 3.62 -0.27 2.24 0.00 0.14 -2.77 121.76 123.11 2r9a s ALA 103 Ca 0.21 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2r9a s ALA 103 Cb 0.12 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 2r9a s ALA 103 CO 0.13 0.11 0.05 -1.17 0.00 0.00 0.00 175.76 174.88 2r9a s LEU 104 N 0.42 3.54 -0.46 0.00 0.20 0.92 -1.76 118.68 121.55 2r9a s LEU 104 Ca 0.14 -0.56 -0.18 0.00 0.69 0.00 0.00 54.13 54.22 2r9a s LEU 104 Cb -0.12 -1.85 0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2r9a s LEU 104 CO 0.02 -0.12 0.53 -0.51 -0.29 0.00 0.00 176.35 175.98 2r9a s ILE 105 N 1.51 4.98 -0.28 6.68 2.07 -0.41 -1.32 121.20 134.43 2r9a s ILE 105 Ca 0.04 -0.37 -0.20 0.00 -1.41 0.00 0.00 60.65 58.71 2r9a s ILE 105 Cb -0.16 -4.16 -0.01 0.00 0.13 0.00 0.00 42.46 38.25 2r9a s ILE 105 CO 0.01 -0.59 0.62 -0.22 -1.91 0.00 0.00 174.94 172.85 2r9a s LEU 106 N 2.38 4.11 -0.18 8.50 2.96 -0.29 -2.34 118.68 133.81 2r9a s LEU 106 Ca 0.14 0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 2r9a s LEU 106 Cb -0.18 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 2r9a s LEU 106 CO 0.13 -0.42 0.07 -0.13 -1.32 0.00 0.00 176.35 174.69 2r9a s ARG 107 N 2.54 3.95 0.05 1.98 0.52 0.17 0.12 118.95 128.27 2r9a s ARG 107 Ca 0.25 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.22 2r9a s ARG 107 Cb -0.15 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2r9a s ARG 107 CO 0.10 0.32 -0.19 0.08 0.02 0.00 0.00 175.30 175.63 2r9a s VAL 108 N 0.24 2.71 -0.16 3.52 1.01 0.16 -1.26 120.40 126.62 2r9a s VAL 108 Ca 0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2r9a s VAL 108 Cb -0.12 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.17 2r9a s VAL 108 CO -0.00 0.32 0.02 -0.60 0.00 0.00 0.00 175.10 174.84 2r9a s ARG 109 N -1.48 0.72 0.23 2.72 3.00 -0.38 -2.40 118.95 121.36 2r9a s ARG 109 Ca 0.14 -0.30 0.01 0.00 -1.00 0.00 0.00 55.73 54.58 2r9a s ARG 109 Cb -0.10 -1.82 -0.00 0.00 0.00 0.00 0.00 34.95 33.02 2r9a s ARG 109 CO 0.05 -0.54 0.03 0.43 0.00 0.00 0.00 175.30 175.28 2r9a n SER 110 N 5.06 2.00 -3.95 -2.12 7.64 0.49 -1.21 113.62 121.53 2r9a n SER 110 Ca -0.09 -2.09 -0.30 0.00 1.01 0.00 0.00 58.87 57.40 2r9a n SER 110 Cb 0.48 0.32 -0.16 0.00 -1.01 0.00 0.00 64.21 63.84 2r9a n SER 110 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2r9a s GLU 111 N -2.85 1.73 0.01 1.43 2.12 -1.26 0.11 118.70 120.00 2r9a s GLU 111 Ca 0.04 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.67 2r9a s GLU 111 Cb 0.00 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 2r9a s GLU 111 CO 0.03 -0.48 -0.25 -1.17 -0.54 0.00 0.00 175.26 172.85 2r9a s LEU 112 N 1.47 2.11 -1.28 2.70 2.96 0.13 -4.77 118.68 121.99 2r9a s LEU 112 Ca -0.02 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 2r9a s LEU 112 Cb -0.17 -1.25 0.06 0.00 0.50 0.00 0.00 46.19 45.33 2r9a s LEU 112 CO -0.07 0.27 0.46 -1.20 -1.32 0.00 0.00 176.35 174.49 2r9a n SER 113 N 2.11 -3.92 -1.23 3.68 7.64 -1.26 -0.31 113.62 120.32 2r9a n SER 113 Ca -0.16 -0.33 -0.15 0.00 1.01 0.00 0.00 58.87 59.23 2r9a n SER 113 Cb 0.52 -3.24 -0.05 0.00 -1.01 0.00 0.00 64.21 60.42 2r9a n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r9a n GLY 114 N -1.18 1.25 3.14 0.23 0.00 -1.26 -5.00 105.19 102.37 2r9a n GLY 114 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2r9a n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r9a s LEU 115 N -3.54 2.41 0.54 0.99 1.43 0.57 -5.13 118.68 115.96 2r9a s LEU 115 Ca 0.00 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 2r9a s LEU 115 Cb 0.00 -0.16 -0.07 0.00 0.03 0.00 0.00 46.19 45.99 2r9a s LEU 115 CO 0.00 -0.33 0.92 -2.65 0.23 0.00 0.00 176.35 174.52 2r9a n PRO 116 N 0.56 1.00 -3.87 1.29 -0.02 -1.26 -0.69 135.00 132.01 2r9a n PRO 116 Ca -0.16 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.57 2r9a n PRO 116 Cb 0.58 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.85 2r9a n PRO 116 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2r9a s PHE 117 N -1.47 -0.00 -0.04 6.00 5.36 0.30 -4.63 117.98 123.50 2r9a s PHE 117 Ca 0.71 0.01 0.06 0.00 -0.96 0.00 0.00 56.93 56.74 2r9a s PHE 117 Cb -0.46 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.21 2r9a s PHE 117 CO 0.51 -0.02 -0.22 0.71 -1.46 0.00 0.00 175.22 174.75 2r9a s TYR 118 N -0.06 2.10 -0.08 10.12 1.51 -1.26 -0.38 117.35 129.29 2r9a s TYR 118 Ca -0.01 -0.57 -0.05 0.00 -1.01 0.00 0.00 57.07 55.43 2r9a s TYR 118 Cb -0.01 -1.38 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2r9a s TYR 118 CO -0.00 -0.16 0.20 -0.46 -1.11 0.00 0.00 175.55 174.02 2r9a s TRP 119 N -0.18 -0.24 -0.09 2.71 -0.11 -1.01 -4.72 118.94 115.29 2r9a s TRP 119 Ca -0.01 0.60 0.04 0.00 1.22 0.00 0.00 56.10 57.95 2r9a s TRP 119 Cb -0.12 0.03 -0.01 0.00 -1.50 0.00 0.00 33.47 31.88 2r9a s TRP 119 CO 0.02 -0.16 -0.22 -0.80 -4.62 0.00 0.00 176.95 171.17 2r9a s ASN 120 N 0.74 3.30 -0.22 5.86 0.01 -1.26 0.36 114.94 123.72 2r9a s ASN 120 Ca -0.05 -0.49 -0.18 0.00 -0.71 0.00 0.00 52.86 51.42 2r9a s ASN 120 Cb -0.07 -1.29 -0.03 0.00 0.41 0.00 0.00 41.25 40.27 2r9a s ASN 120 CO -0.04 0.19 0.52 -0.36 -1.51 0.00 0.00 177.10 175.90 2r9a s PHE 121 N 0.18 3.33 -0.60 2.20 0.08 0.32 -4.92 117.98 118.58 2r9a s PHE 121 Ca -0.13 0.73 -0.15 0.00 0.12 0.00 0.00 56.93 57.50 2r9a s PHE 121 Cb -0.16 -2.69 0.15 0.00 -0.57 0.00 0.00 43.02 39.74 2r9a s PHE 121 CO 0.07 -0.17 0.55 -1.01 -0.10 0.00 0.00 175.22 174.57 2r9a s HIS 122 N 1.88 3.36 0.43 0.36 3.76 -1.26 -1.14 115.29 122.68 2r9a s HIS 122 Ca 0.23 -1.45 0.07 0.00 -0.15 0.00 0.00 55.06 53.76 2r9a s HIS 122 Cb -0.15 -3.80 -0.04 0.00 1.11 0.00 0.00 32.58 29.70 2r9a s HIS 122 CO 0.09 -1.01 0.22 0.00 -0.85 0.00 0.00 174.74 173.19 2r9a s LEU 125 N -3.96 4.16 0.32 0.00 2.96 -1.11 -0.06 118.68 120.99 2r9a s LEU 125 Ca 0.41 0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 54.99 2r9a s LEU 125 Cb 0.02 -3.01 -0.11 0.00 0.50 0.00 0.00 46.19 43.60 2r9a s LEU 125 CO 0.23 -0.30 1.43 0.00 -1.32 0.00 0.00 176.35 176.38 2r9a s ALA 126 N 1.92 3.58 0.59 5.97 0.00 0.66 -4.76 121.76 129.72 2r9a s ALA 126 Ca 0.32 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.50 2r9a s ALA 126 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2r9a s ALA 126 CO 0.11 -0.84 1.19 -1.13 0.00 0.00 0.00 175.76 175.09 2r9a n SER 127 N 1.21 1.79 -0.25 0.00 3.41 -1.26 -4.88 113.62 113.64 2r9a n SER 127 Ca 0.03 0.88 0.10 0.00 -0.26 0.00 0.00 58.87 59.61 2r9a n SER 127 Cb 0.40 -1.50 0.36 0.00 -0.26 0.00 0.00 64.21 63.21 2r9a n SER 127 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2r9a h PRO 128 N 0.84 0.72 -0.86 4.33 0.11 -1.99 -2.57 132.00 132.58 2r9a h PRO 128 Ca -0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 2r9a h PRO 128 Cb 1.34 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2r9a h PRO 128 CO 0.54 0.47 0.42 1.03 -0.21 0.00 0.00 178.00 180.25 2r9a h SER 129 N 0.74 1.12 1.14 -2.05 0.87 -1.99 0.49 113.55 113.87 2r9a h SER 129 Ca 0.41 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 2r9a h SER 129 Cb 0.56 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2r9a h SER 129 CO -0.17 0.93 -0.75 -0.07 -0.53 0.00 0.00 176.83 176.24 2r9a h LEU 130 N 1.22 0.00 0.02 2.23 3.38 -1.88 -1.33 115.31 118.94 2r9a h LEU 130 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2r9a h LEU 130 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2r9a h LEU 130 CO -0.04 0.75 -0.01 0.58 0.09 0.00 0.00 178.44 179.81 2r9a h VAL 131 N 0.00 1.01 -0.37 1.22 2.07 -0.99 0.24 116.25 119.44 2r9a h VAL 131 Ca -0.01 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2r9a h VAL 131 Cb 1.52 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 2r9a h VAL 131 CO 0.10 0.02 -0.08 -1.28 0.02 0.00 0.00 177.57 176.35 2r9a h SER 132 N -0.05 -0.31 -0.31 0.57 0.87 -0.90 0.14 113.55 113.56 2r9a h SER 132 Ca -0.00 0.11 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 2r9a h SER 132 Cb 0.05 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2r9a h SER 132 CO 0.00 -0.11 -0.47 1.56 -0.53 0.00 0.00 176.83 177.29 2r9a h GLN 133 N 0.02 0.88 0.00 2.24 1.08 -0.89 -2.00 115.11 116.44 2r9a h GLN 133 Ca 0.18 -0.51 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2r9a h GLN 133 Cb 0.27 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2r9a h GLN 133 CO -0.37 1.15 -0.79 0.45 -0.95 0.00 0.00 178.83 178.33 2r9a h HIS 134 N 0.70 0.00 0.00 2.96 3.86 -0.49 -3.40 115.15 118.78 2r9a h HIS 134 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2r9a h HIS 134 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2r9a h HIS 134 CO 0.07 0.06 0.00 1.28 0.86 0.00 0.00 177.93 180.19 2r9a n LEU 135 N -2.81 0.31 0.36 2.43 7.99 0.45 -4.81 117.00 120.92 2r9a n LEU 135 Ca 0.00 0.18 -0.17 0.00 -0.01 0.00 0.00 56.01 56.01 2r9a n LEU 135 Cb 0.57 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.80 2r9a n LEU 135 CO 0.39 -0.66 0.53 0.40 -1.51 0.00 0.00 177.39 176.53 2r9a h ILE 136 N 0.00 0.00 0.07 -0.08 2.04 -1.47 0.99 117.51 119.05 2r9a h ILE 136 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2r9a h ILE 136 Cb 0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 2r9a h ILE 136 CO 0.00 0.00 -0.27 0.03 0.00 0.00 0.00 178.15 177.91 2r9a h ARG 137 N -1.03 -0.43 -0.59 2.37 3.08 -1.63 -2.71 114.38 113.43 2r9a h ARG 137 Ca -0.09 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2r9a h ARG 137 Cb 0.84 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2r9a h ARG 137 CO 0.07 -0.29 0.25 -1.35 -1.07 0.00 0.00 179.97 177.58 2r9a h PRO 138 N -0.45 0.87 -0.75 0.04 0.11 -1.73 0.23 132.00 130.32 2r9a h PRO 138 Ca 0.04 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2r9a h PRO 138 Cb 0.50 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2r9a h PRO 138 CO -0.19 0.73 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 2r9a n LEU 139 N -4.49 0.13 -1.08 2.35 4.77 0.34 -4.66 117.00 114.36 2r9a n LEU 139 Ca 0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2r9a n LEU 139 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2r9a n LEU 139 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2r9a n GLY 141 N 0.65 -0.15 1.24 -0.72 0.00 0.07 -4.74 105.19 101.53 2r9a n GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2r9a n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2r9a n SER 143 N -0.29 0.00 -0.17 1.61 7.64 -1.26 -1.42 113.62 119.73 2r9a n SER 143 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2r9a n SER 143 Cb 0.15 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.42 2r9a n SER 143 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2r9a h LEU 144 N 0.00 0.17 -0.92 -3.43 3.38 -1.97 -1.86 115.31 110.69 2r9a h LEU 144 Ca 0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2r9a h LEU 144 Cb 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2r9a h LEU 144 CO 0.00 0.12 0.35 0.00 0.09 0.00 0.00 178.44 179.01 2r9a h ALA 145 N 1.35 1.15 -0.53 1.53 0.00 -1.65 -2.58 119.26 118.53 2r9a h ALA 145 Ca 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2r9a h ALA 145 Cb 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2r9a h ALA 145 CO -0.26 0.63 0.05 -0.07 0.00 0.00 0.00 179.25 179.60 2r9a h LEU 146 N 1.12 0.87 -1.33 0.00 3.38 -1.78 -2.68 115.31 114.89 2r9a h LEU 146 Ca 0.27 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2r9a h LEU 146 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2r9a h LEU 146 CO -0.03 0.93 0.48 -0.61 0.09 0.00 0.00 178.44 179.30 2r9a h GLN 147 N 0.77 0.85 -0.69 1.13 5.75 -1.12 -0.03 115.11 121.78 2r9a h GLN 147 Ca 0.16 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2r9a h GLN 147 Cb 0.46 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2r9a h GLN 147 CO 0.02 0.56 0.23 0.00 -2.65 0.00 0.00 178.83 176.99 2r9a h GLN 149 N 1.00 -0.93 -0.87 0.00 4.20 -1.05 -0.59 115.11 116.86 2r9a h GLN 149 Ca 0.22 0.06 0.23 0.00 0.06 0.00 0.00 58.65 59.23 2r9a h GLN 149 Cb 0.28 0.21 -0.15 0.00 0.30 0.00 0.00 27.48 28.12 2r9a h GLN 149 CO -0.01 -0.62 0.13 0.28 -0.67 0.00 0.00 178.83 177.94 2r9a h VAL 150 N -0.97 0.25 -0.53 -0.54 2.07 -0.90 0.63 116.25 116.26 2r9a h VAL 150 Ca -0.05 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2r9a h VAL 150 Cb 0.86 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2r9a h VAL 150 CO -0.10 0.02 0.25 -0.09 0.02 0.00 0.00 177.57 177.67 2r9a h ARG 151 N 0.13 0.47 -0.07 1.57 9.65 -0.65 -1.81 114.38 123.66 2r9a h ARG 151 Ca 0.53 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 59.24 2r9a h ARG 151 Cb 1.05 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 2r9a h ARG 151 CO -0.72 0.31 -0.59 0.93 2.80 0.00 0.00 179.97 182.70 2r9a h GLU 152 N 0.48 0.24 -0.28 0.20 5.08 0.18 -1.79 114.58 118.70 2r9a h GLU 152 Ca 0.24 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2r9a h GLU 152 Cb 0.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2r9a h GLU 152 CO -0.19 0.76 0.07 -0.07 -1.00 0.00 0.00 179.01 178.58 2r9a h LEU 153 N 0.18 0.43 -0.58 1.33 3.38 -1.07 -1.67 115.31 117.31 2r9a h LEU 153 Ca -0.00 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2r9a h LEU 153 Cb 1.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2r9a h LEU 153 CO 0.09 0.55 0.35 0.00 0.09 0.00 0.00 178.44 179.53 2r9a h ALA 154 N 0.89 0.76 -0.10 1.53 0.00 -1.02 0.56 119.26 121.87 2r9a h ALA 154 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r9a h ALA 154 Cb 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2r9a h ALA 154 CO 0.00 0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.38 2r9a h THR 155 N 0.69 1.11 -0.66 0.00 1.03 -1.37 0.64 112.91 114.35 2r9a h THR 155 Ca 0.24 -0.32 0.12 0.00 -0.01 0.00 0.00 66.41 66.44 2r9a h THR 155 Cb 0.03 1.15 -0.09 0.00 -1.07 0.00 0.00 68.15 68.18 2r9a h THR 155 CO -0.11 0.10 0.20 -0.07 -0.01 0.00 0.00 175.52 175.63 2r9a h LEU 156 N 0.04 0.12 -0.31 0.00 4.07 -0.54 -1.75 115.31 116.92 2r9a h LEU 156 Ca 0.03 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2r9a h LEU 156 Cb 0.11 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2r9a h LEU 156 CO -0.00 0.05 0.19 -0.07 -1.08 0.00 0.00 178.44 177.53 2r9a h LEU 157 N 0.34 0.37 -2.20 1.67 3.38 0.32 -1.75 115.31 117.44 2r9a h LEU 157 Ca 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2r9a h LEU 157 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2r9a h LEU 157 CO -0.40 0.30 0.00 1.57 0.09 0.00 0.00 178.44 180.00 2r9a n HIS 158 N -4.84 0.00 0.00 1.13 -0.00 0.20 -2.00 115.22 109.70 2r9a n HIS 158 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2r9a n HIS 158 Cb 0.04 -0.10 0.00 0.00 -0.12 0.00 0.00 29.99 29.81 2r9a n HIS 158 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2r9a n LYS 160 N 1.04 0.00 -0.15 1.57 5.02 -0.66 -2.65 118.16 122.33 2r9a n LYS 160 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2r9a n LYS 160 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2r9a n LYS 160 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2r9a h ASP 161 N 0.00 0.78 -0.98 4.39 3.32 -1.68 -1.39 116.42 120.86 2r9a h ASP 161 Ca 0.00 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 56.82 2r9a h ASP 161 Cb 0.00 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.27 2r9a h ASP 161 CO 0.00 0.91 0.63 -0.07 -1.72 0.00 0.00 179.24 178.99 2r9a h LEU 162 N 0.62 0.95 -0.33 1.55 3.38 -1.80 0.61 115.31 120.31 2r9a h LEU 162 Ca 0.12 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2r9a h LEU 162 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2r9a h LEU 162 CO 0.03 0.57 -0.16 -0.08 0.09 0.00 0.00 178.44 178.88 2r9a h GLU 163 N 1.05 0.68 0.00 1.13 4.81 -1.79 -2.85 114.58 117.61 2r9a h GLU 163 Ca 0.45 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2r9a h GLU 163 Cb 0.32 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2r9a h GLU 163 CO -0.20 0.89 -0.77 0.82 -0.73 0.00 0.00 179.01 179.02 2r9a h ILE 164 N 0.45 1.24 0.00 2.32 2.04 -0.11 -3.03 117.51 120.41 2r9a h ILE 164 Ca 0.07 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.17 2r9a h ILE 164 Cb 0.69 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 2r9a h ILE 164 CO 0.05 0.70 0.00 1.56 0.00 0.00 0.00 178.15 180.46 2r9a h GLN 165 N 0.00 0.00 -0.23 2.37 4.20 0.18 -1.65 115.11 119.98 2r9a h GLN 165 Ca -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2r9a h GLN 165 Cb 1.57 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 2r9a h GLN 165 CO 0.09 0.00 -0.03 0.22 -0.67 0.00 0.00 178.83 178.44 2r9a h ASP 166 N 0.00 0.42 -0.68 1.46 1.82 -1.37 0.26 116.42 118.32 2r9a h ASP 166 Ca 0.00 -0.34 -0.05 0.00 -0.39 0.00 0.00 57.03 56.25 2r9a h ASP 166 Cb 0.42 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 2r9a h ASP 166 CO 0.00 0.67 0.23 1.88 -1.61 0.00 0.00 179.24 180.40 2r9a h TYR 167 N 0.17 1.09 -0.07 0.28 -1.99 -1.57 -2.84 116.97 112.05 2r9a h TYR 167 Ca 0.06 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.57 2r9a h TYR 167 Cb 0.47 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 2r9a h TYR 167 CO 0.04 0.87 -0.49 1.96 -0.00 0.00 0.00 178.16 180.54 2r9a h GLN 168 N 0.99 0.17 -0.77 4.88 4.20 -1.20 -3.13 115.11 120.25 2r9a h GLN 168 Ca 0.22 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2r9a h GLN 168 Cb 0.28 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 2r9a h GLN 168 CO -0.01 0.63 0.47 0.93 -0.67 0.00 0.00 178.83 180.18 2r9a h GLU 169 N 0.14 1.05 -3.94 1.46 4.39 -0.24 -3.38 114.58 114.06 2r9a h GLU 169 Ca 0.00 -0.09 -0.58 0.00 0.34 0.00 0.00 59.36 59.03 2r9a h GLU 169 Cb 0.92 -0.22 -0.39 0.00 -0.10 0.00 0.00 28.75 28.96 2r9a h GLU 169 CO 0.07 0.73 -0.76 -1.12 -1.16 0.00 0.00 179.01 176.77 2r9a s SER 170 N -5.99 3.77 1.04 1.42 0.01 -1.16 -5.06 113.70 107.72 2r9a s SER 170 Ca -0.13 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2r9a s SER 170 Cb 0.15 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2r9a s SER 170 CO 0.79 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2r9a n GLY 171 N 4.78 3.26 2.58 3.44 0.00 -1.26 -4.81 105.19 113.17 2r9a n GLY 171 Ca -0.07 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 2r9a n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r9a n ALA 172 N 11.06 -1.21 -2.80 4.61 0.00 -1.26 -4.53 120.51 126.39 2r9a n ALA 172 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 2r9a n ALA 172 Cb 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 2r9a n ALA 172 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2r9a s THR 173 N -0.07 4.67 0.39 0.00 -4.23 -1.26 -4.64 115.64 110.49 2r9a s THR 173 Ca -0.02 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 59.56 2r9a s THR 173 Cb 0.00 -3.25 -0.09 0.00 1.34 0.00 0.00 72.50 70.50 2r9a s THR 173 CO 0.05 0.14 1.05 -0.76 -0.54 0.00 0.00 174.62 174.55 2r9a s LEU 174 N -2.37 4.18 -0.21 4.79 1.02 -1.26 -5.00 118.68 119.82 2r9a s LEU 174 Ca 0.30 2.04 -0.19 0.00 0.02 0.00 0.00 54.13 56.29 2r9a s LEU 174 Cb -0.12 -4.14 -0.19 0.00 0.02 0.00 0.00 46.19 41.76 2r9a s LEU 174 CO 0.22 -0.44 0.14 -0.38 0.02 0.00 0.00 176.35 175.91 2r9a n ILE 175 N 0.05 1.55 -2.94 -0.59 5.41 -1.26 -4.76 119.36 116.82 2r9a n ILE 175 Ca 0.04 -0.12 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 2r9a n ILE 175 Cb 0.49 -1.99 -0.05 0.00 -0.71 0.00 0.00 39.64 37.38 2r9a n ILE 175 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2r9a s ARG 176 N -2.40 3.35 -0.50 0.38 0.52 -1.26 -4.92 118.95 114.13 2r9a s ARG 176 Ca -0.30 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2r9a s ARG 176 Cb 0.07 -3.99 -0.11 0.00 0.52 0.00 0.00 34.95 31.44 2r9a s ARG 176 CO 0.59 -1.25 2.31 -0.40 0.02 0.00 0.00 175.30 176.57 2r9a n ASP 177 N 6.91 4.31 0.00 0.23 5.68 -1.26 -2.41 116.55 130.00 2r9a n ASP 177 Ca 0.01 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 2r9a n ASP 177 Cb 0.48 -1.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 2r9a n ASP 177 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2r9a n ARG 178 N 3.42 0.00 0.10 0.11 1.74 -1.26 -4.97 116.66 115.80 2r9a n ARG 178 Ca 0.37 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 2r9a n ARG 178 Cb 0.35 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.87 2r9a n ARG 178 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2r9a h LEU 179 N 0.00 0.00 -9.09 0.55 4.07 -1.90 -3.48 115.31 105.46 2r9a h LEU 179 Ca 0.00 -0.07 -0.75 0.00 0.08 0.00 0.00 57.88 57.13 2r9a h LEU 179 Cb 0.36 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.15 2r9a h LEU 179 CO 0.00 0.04 0.20 0.29 -1.08 0.00 0.00 178.44 177.89 2r9a n LYS 180 N -2.53 0.38 -3.78 1.13 4.76 -1.26 -4.93 118.16 111.93 2r9a n LYS 180 Ca 0.02 0.14 -0.36 0.00 -2.87 0.00 0.00 58.31 55.23 2r9a n LYS 180 Cb 0.51 -1.69 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 2r9a n LYS 180 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2r9a s THR 181 N 0.22 5.44 0.10 -0.18 -4.23 -1.26 -5.06 115.64 110.67 2r9a s THR 181 Ca 0.89 0.23 -0.31 0.00 -1.18 0.00 0.00 61.69 61.32 2r9a s THR 181 Cb -1.17 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 69.13 2r9a s THR 181 CO 0.54 0.51 1.63 -0.70 -0.54 0.00 0.00 174.62 176.07 2r9a s GLU 182 N -0.21 4.20 -0.00 3.99 2.56 -1.26 -4.94 118.70 123.03 2r9a s GLU 182 Ca 0.11 2.35 -0.40 0.00 0.00 0.00 0.00 54.97 57.03 2r9a s GLU 182 Cb -0.12 -3.47 -0.20 0.00 2.00 0.00 0.00 34.13 32.34 2r9a s GLU 182 CO 0.01 -0.70 1.09 -2.30 -0.56 0.00 0.00 175.26 172.79 2r9a n PRO 183 N 5.14 0.05 -2.65 4.30 -0.02 -1.26 -4.90 135.00 135.66 2r9a n PRO 183 Ca 0.15 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 2r9a n PRO 183 Cb 0.40 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 2r9a n PRO 183 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2r9a s PHE 184 N 0.04 3.20 -0.24 6.00 5.36 -1.26 -5.00 117.98 126.09 2r9a s PHE 184 Ca 0.91 1.26 0.01 0.00 -0.96 0.00 0.00 56.93 58.15 2r9a s PHE 184 Cb -1.26 -3.57 0.06 0.00 -0.34 0.00 0.00 43.02 37.91 2r9a s PHE 184 CO 0.57 -0.69 -0.07 -2.00 -1.46 0.00 0.00 175.22 171.57 2r9a s GLU 185 N 3.52 1.75 0.23 10.12 -6.30 -1.26 -4.82 118.70 121.95 2r9a s GLU 185 Ca 0.45 -1.04 -0.07 0.00 -2.50 0.00 0.00 54.97 51.81 2r9a s GLU 185 Cb -0.13 -2.63 0.29 0.00 0.00 0.00 0.00 34.13 31.66 2r9a s GLU 185 CO 0.13 -0.58 1.85 1.49 0.02 0.00 0.00 175.26 178.16 2r9a h GLU 186 N 7.93 0.89 -0.47 4.30 4.81 -1.97 -2.43 114.58 127.64 2r9a h GLU 186 Ca -0.19 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 2r9a h GLU 186 Cb 1.07 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2r9a h GLU 186 CO 0.42 0.59 0.02 -0.97 -0.73 0.00 0.00 179.01 178.34 2r9a h ASN 187 N 0.92 0.73 0.26 1.04 -1.24 -2.00 -0.73 115.58 114.55 2r9a h ASN 187 Ca 0.34 -0.16 -0.21 0.00 0.71 0.00 0.00 56.30 56.98 2r9a h ASN 187 Cb 0.13 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 2r9a h ASN 187 CO -0.16 0.78 -0.82 0.77 -1.29 0.00 0.00 177.43 176.71 2r9a h SER 188 N 0.72 0.54 -0.78 1.15 4.64 -1.91 -2.10 113.55 115.81 2r9a h SER 188 Ca 0.14 -0.39 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2r9a h SER 188 Cb 0.42 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2r9a h SER 188 CO 0.02 1.16 0.52 0.15 -0.87 0.00 0.00 176.83 177.80 2r9a h PHE 189 N 0.28 0.96 -0.44 4.77 3.57 -0.94 0.62 116.94 125.76 2r9a h PHE 189 Ca -0.05 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 2r9a h PHE 189 Cb 1.43 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2r9a h PHE 189 CO 0.05 0.59 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.38 2r9a h LEU 190 N 1.02 1.00 -0.55 0.59 3.38 -1.08 -1.75 115.31 117.91 2r9a h LEU 190 Ca 0.30 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2r9a h LEU 190 Cb -0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 2r9a h LEU 190 CO -0.07 1.20 0.29 -0.33 0.09 0.00 0.00 178.44 179.62 2r9a h GLU 191 N 0.79 0.55 -0.12 1.13 5.08 -0.59 -2.51 114.58 118.90 2r9a h GLU 191 Ca 0.09 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 2r9a h GLU 191 Cb 0.85 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.99 2r9a h GLU 191 CO 0.08 0.36 -0.83 -0.56 -1.00 0.00 0.00 179.01 177.06 2r9a h GLN 192 N 0.56 0.78 -1.31 2.33 3.07 -0.93 -3.21 115.11 116.41 2r9a h GLN 192 Ca 0.24 -0.67 0.00 0.00 0.09 0.00 0.00 58.65 58.31 2r9a h GLN 192 Cb 0.13 0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.84 2r9a h GLN 192 CO -0.16 1.27 0.00 0.34 0.09 0.00 0.00 178.83 180.37 2r9a n PHE 193 N -3.93 0.00 0.00 0.06 7.35 -0.66 -0.06 117.46 120.22 2r9a n PHE 193 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2r9a n PHE 193 Cb 0.77 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.54 2r9a n PHE 193 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2r9a n ILE 195 N 0.77 0.00 0.04 -2.13 5.41 -1.21 -0.61 119.36 121.63 2r9a n ILE 195 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2r9a n ILE 195 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 2r9a n ILE 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2r9a n GLU 196 N 0.00 0.62 0.00 0.38 1.02 0.91 -4.70 120.64 118.87 2r9a n GLU 196 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2r9a n GLU 196 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2r9a n GLU 196 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2r9a n LYS 197 N -2.80 0.40 -0.10 3.49 4.76 -0.09 -4.86 118.16 118.95 2r9a n LYS 197 Ca -0.08 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.31 2r9a n LYS 197 Cb 0.77 -0.89 0.01 0.00 -1.84 0.00 0.00 35.03 33.07 2r9a n LYS 197 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2r9a h LEU 198 N 0.00 -0.32 -0.61 -0.35 5.85 -1.14 -1.97 115.31 116.77 2r9a h LEU 198 Ca 0.00 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2r9a h LEU 198 Cb 0.79 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2r9a h LEU 198 CO 0.00 -0.11 -0.51 -0.65 -0.34 0.00 0.00 178.44 176.82 2r9a h PRO 199 N 0.00 -0.18 -0.82 5.25 0.11 -1.86 0.94 132.00 135.44 2r9a h PRO 199 Ca 0.17 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2r9a h PRO 199 Cb 0.26 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 2r9a h PRO 199 CO -0.36 -0.12 0.46 1.49 -0.21 0.00 0.00 178.00 179.26 2r9a h GLU 200 N -0.19 1.14 0.00 1.05 4.81 -1.88 -3.27 114.58 116.24 2r9a h GLU 200 Ca 0.10 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2r9a h GLU 200 Cb 0.46 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2r9a h GLU 200 CO -0.68 0.83 -0.27 0.00 -0.73 0.00 0.00 179.01 178.17 2r9a n ALA 201 N -2.37 2.96 0.66 2.92 0.00 -0.55 -3.01 120.51 121.11 2r9a n ALA 201 Ca 0.08 -0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.36 2r9a n ALA 201 Cb 0.09 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 2r9a n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r9a s SER 203 N -1.90 6.10 0.21 0.00 0.01 -1.17 -4.88 113.70 112.08 2r9a s SER 203 Ca 0.11 1.90 -0.10 0.00 1.31 0.00 0.00 55.95 59.17 2r9a s SER 203 Cb 0.12 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.98 2r9a s SER 203 CO 0.42 -1.44 1.87 0.40 0.41 0.00 0.00 173.24 174.89 2r9a h ILE 204 N 6.36 1.21 0.00 1.44 1.08 -1.92 -3.47 117.51 122.21 2r9a h ILE 204 Ca -0.39 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2r9a h ILE 204 Cb 1.20 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2r9a h ILE 204 CO 0.98 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 179.26 2r9a n GLY 205 N -1.24 3.68 0.71 5.37 0.00 -1.26 -2.28 105.19 110.18 2r9a n GLY 205 Ca 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2r9a n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2r9a n ASP 206 N 7.60 3.37 0.00 1.61 5.68 -1.26 -4.94 116.55 128.62 2r9a n ASP 206 Ca 0.00 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 2r9a n ASP 206 Cb 0.00 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 2r9a n ASP 206 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r9a n GLY 207 N -0.21 1.34 0.05 6.12 0.00 -0.97 -4.83 105.19 106.69 2r9a n GLY 207 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2r9a n GLY 207 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2r9a h LYS 208 N 3.12 -0.00 -0.90 1.61 3.64 -1.92 -1.18 116.57 120.93 2r9a h LYS 208 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 2r9a h LYS 208 Cb 0.00 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.65 2r9a h LYS 208 CO 0.00 0.15 -0.07 -1.35 -2.27 0.00 0.00 179.45 175.91 2r9a h PRO 209 N -0.16 0.03 -0.01 1.90 0.11 -1.92 -1.67 132.00 130.27 2r9a h PRO 209 Ca -0.00 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 2r9a h PRO 209 Cb 0.16 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 2r9a h PRO 209 CO 0.00 0.02 -0.20 0.35 -0.21 0.00 0.00 178.00 177.96 2r9a h PHE 210 N 0.03 -0.52 0.00 0.65 -0.00 -1.56 -1.82 116.94 113.73 2r9a h PHE 210 Ca 0.49 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.48 2r9a h PHE 210 Cb 0.89 0.23 0.00 0.00 -0.00 0.00 0.00 35.95 37.08 2r9a h PHE 210 CO -0.56 -0.28 0.00 1.33 -0.00 0.00 0.00 178.31 178.80 2r9a n VAL 211 N -5.33 0.53 0.00 1.41 0.24 -0.63 -3.12 118.33 111.43 2r9a n VAL 211 Ca -0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2r9a n VAL 211 Cb 0.24 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 2r9a n VAL 211 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2r9a n ASN 213 N 1.37 0.00 0.00 -1.34 0.23 -0.68 -4.46 115.26 110.37 2r9a n ASN 213 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2r9a n ASN 213 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 2r9a n ASN 213 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2r9a n LEU 214 N 0.10 0.00 0.31 -4.53 4.77 -1.18 -4.84 117.00 111.62 2r9a n LEU 214 Ca 0.00 -0.07 0.20 0.00 -0.03 0.00 0.00 56.01 56.11 2r9a n LEU 214 Cb 0.00 0.00 1.00 0.00 -2.33 0.00 0.00 43.42 42.09 2r9a n LEU 214 CO 0.00 0.00 1.11 1.56 -1.33 0.00 0.00 177.39 178.73 2r9a h GLN 215 N 0.00 0.00 -0.18 3.23 1.08 -1.78 0.16 115.11 117.62 2r9a h GLN 215 Ca 0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2r9a h GLN 215 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2r9a h GLN 215 CO 0.00 0.00 -0.40 -0.44 -0.95 0.00 0.00 178.83 177.05 2r9a h ASP 216 N 0.00 0.66 0.05 1.46 5.19 -1.94 -3.19 116.42 118.64 2r9a h ASP 216 Ca -0.00 -0.56 -0.09 0.00 -0.62 0.00 0.00 57.03 55.75 2r9a h ASP 216 Cb 0.21 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2r9a h ASP 216 CO 0.00 1.10 -0.29 0.25 -3.12 0.00 0.00 179.24 177.18 2r9a h LEU 217 N 0.24 0.37 -1.06 1.55 5.85 -1.66 -0.91 115.31 119.69 2r9a h LEU 217 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2r9a h LEU 217 Cb 1.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2r9a h LEU 217 CO 0.09 0.65 0.00 0.00 -0.34 0.00 0.00 178.44 178.84 2r9a n TYR 218 N -4.11 0.00 0.00 1.25 9.36 0.48 -0.21 117.16 123.92 2r9a n TYR 218 Ca -0.01 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2r9a n TYR 218 Cb 0.41 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 2r9a n TYR 218 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2r9a n ALA 220 N 0.39 0.00 0.22 2.98 0.00 -0.35 -1.76 120.51 121.99 2r9a n ALA 220 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2r9a n ALA 220 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 2r9a n ALA 220 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2r9a h VAL 221 N 0.00 0.52 -0.81 0.00 2.07 -0.86 -0.98 116.25 116.19 2r9a h VAL 221 Ca 0.00 -0.46 0.20 0.00 0.82 0.00 0.00 66.70 67.26 2r9a h VAL 221 Cb 0.00 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 30.36 2r9a h VAL 221 CO 0.00 0.08 0.15 0.71 0.02 0.00 0.00 177.57 178.53 2r9a h THR 222 N -0.85 0.37 -0.11 2.57 1.35 -1.58 0.21 112.91 114.86 2r9a h THR 222 Ca -0.06 -0.07 -0.16 0.00 -0.55 0.00 0.00 66.41 65.58 2r9a h THR 222 Cb 0.55 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 2r9a h THR 222 CO 0.09 0.04 -0.61 0.71 -0.25 0.00 0.00 175.52 175.50 2r9a h THR 223 N 0.20 1.36 0.58 6.82 1.35 -1.79 -1.94 112.91 119.49 2r9a h THR 223 Ca 0.48 -1.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 2r9a h THR 223 Cb 0.90 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2r9a h THR 223 CO -0.62 0.59 -0.33 -0.61 -0.25 0.00 0.00 175.52 174.30 2r9a h GLN 224 N 0.29 -0.82 -0.93 4.72 5.75 0.28 -2.73 115.11 121.67 2r9a h GLN 224 Ca -0.01 0.06 0.16 0.00 -0.15 0.00 0.00 58.65 58.70 2r9a h GLN 224 Cb 1.15 0.19 -0.10 0.00 1.07 0.00 0.00 27.48 29.79 2r9a h GLN 224 CO 0.10 -0.55 0.53 0.45 -2.65 0.00 0.00 178.83 176.72 2r9a h HIS 225 N -0.85 0.94 -0.03 3.99 3.86 -0.54 -1.49 115.15 121.02 2r9a h HIS 225 Ca -0.07 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 2r9a h HIS 225 Cb 0.68 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2r9a h HIS 225 CO -0.08 0.25 -0.64 1.25 0.86 0.00 0.00 177.93 179.57 2r9a h HIS 226 N 0.74 0.14 -0.02 2.45 -0.00 -1.36 -3.51 115.15 113.59 2r9a h HIS 226 Ca 0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.82 2r9a h HIS 226 Cb 0.70 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 2r9a h HIS 226 CO -0.05 0.72 0.00 0.72 -0.00 0.00 0.00 177.93 179.32