#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2w s SER 8 N 0.00 -0.32 0.13 3.14 1.04 -1.26 -5.05 113.70 111.38 3h2w s SER 8 Ca 0.00 -0.46 -0.27 0.00 0.48 0.00 0.00 55.95 55.70 3h2w s SER 8 Cb 0.00 0.68 -0.07 0.00 0.10 0.00 0.00 66.02 66.73 3h2w s SER 8 CO 0.00 -1.23 0.85 -0.63 0.98 0.00 0.00 173.24 173.21 3h2w s ILE 9 N -3.83 4.45 -0.11 -1.02 1.01 -1.26 -4.61 121.20 115.82 3h2w s ILE 9 Ca 0.09 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.58 3h2w s ILE 9 Cb -0.05 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 3h2w s ILE 9 CO 0.02 0.43 -0.11 -0.36 0.00 0.00 0.00 174.94 174.92 3h2w s PHE 10 N -0.58 2.84 0.31 3.97 0.08 -0.24 -4.98 117.98 119.38 3h2w s PHE 10 Ca 0.40 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.85 3h2w s PHE 10 Cb -0.23 -1.80 0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3h2w s PHE 10 CO 0.27 -0.04 0.78 1.52 -0.10 0.00 0.00 175.22 177.65 3h2w s TYR 11 N -0.00 -0.05 -0.60 0.36 -0.85 -1.25 -0.94 117.35 114.01 3h2w s TYR 11 Ca -0.03 -0.49 -0.28 0.00 -0.52 0.00 0.00 57.07 55.76 3h2w s TYR 11 Cb -0.14 0.76 0.02 0.00 0.38 0.00 0.00 41.96 42.98 3h2w s TYR 11 CO 0.04 -1.33 1.30 1.21 -1.52 0.00 0.00 175.55 175.25 3h2w s ASN 12 N -3.00 6.26 0.20 -0.18 3.84 -1.26 -2.97 114.94 117.82 3h2w s ASN 12 Ca 0.13 0.07 0.26 0.00 0.21 0.00 0.00 52.86 53.54 3h2w s ASN 12 Cb -0.05 -2.55 0.87 0.00 -0.55 0.00 0.00 41.25 38.97 3h2w s ASN 12 CO 0.08 -1.65 1.77 0.00 -2.79 0.00 0.00 177.10 174.52 3h2w n GLN 13 N 8.71 0.23 -0.02 0.43 6.02 -0.90 -3.06 117.38 128.78 3h2w n GLN 13 Ca 0.09 0.24 -0.16 0.00 -0.01 0.00 0.00 57.00 57.15 3h2w n GLN 13 Cb 0.49 -1.79 -0.13 0.00 1.02 0.00 0.00 30.24 29.83 3h2w n GLN 13 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h2w h VAL 14 N 0.00 1.66 0.00 5.09 2.07 -1.89 -3.38 116.25 119.80 3h2w h VAL 14 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3h2w h VAL 14 Cb 0.65 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 3h2w h VAL 14 CO 0.00 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.84 3h2w n GLY 15 N 1.55 0.04 3.15 2.17 0.00 -1.17 -4.82 105.19 106.12 3h2w n GLY 15 Ca -0.11 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 3h2w n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2w s TYR 16 N -2.26 1.22 0.23 1.61 2.02 0.57 -4.88 117.35 115.85 3h2w s TYR 16 Ca 0.00 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3h2w s TYR 16 Cb 0.00 -0.71 -0.09 0.00 -0.40 0.00 0.00 41.96 40.76 3h2w s TYR 16 CO 0.00 0.04 1.27 -0.51 -1.57 0.00 0.00 175.55 174.78 3h2w s LEU 17 N -1.39 4.44 0.12 -1.29 1.43 -1.26 -1.52 118.68 119.22 3h2w s LEU 17 Ca 0.00 2.41 -0.24 0.00 -1.03 0.00 0.00 54.13 55.27 3h2w s LEU 17 Cb -0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 3h2w s LEU 17 CO 0.02 -0.46 1.32 -0.38 0.23 0.00 0.00 176.35 177.08 3h2w n ILE 18 N 2.10 -0.53 0.86 -0.59 5.41 -0.95 -1.32 119.36 124.33 3h2w n ILE 18 Ca 0.04 2.07 0.08 0.00 1.00 0.00 0.00 62.75 65.94 3h2w n ILE 18 Cb 0.43 -2.57 0.25 0.00 -0.71 0.00 0.00 39.64 37.04 3h2w n ILE 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3h2w n SER 19 N -4.83 2.09 -3.81 4.38 3.41 -1.26 -4.47 113.62 109.13 3h2w n SER 19 Ca 0.02 -1.90 -0.16 0.00 -0.26 0.00 0.00 58.87 56.57 3h2w n SER 19 Cb 0.20 -0.21 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 3h2w n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h2w n GLY 20 N 1.17 0.86 3.71 5.00 0.00 -0.44 -5.07 105.19 110.42 3h2w n GLY 20 Ca 0.15 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 3h2w n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h2w s ASP 21 N -3.78 6.91 -0.16 1.61 1.01 -1.26 -4.72 116.67 116.27 3h2w s ASP 21 Ca 0.46 1.09 0.01 0.00 0.71 0.00 0.00 52.55 54.82 3h2w s ASP 21 Cb -0.03 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.53 3h2w s ASP 21 CO 0.30 -0.13 -0.20 -0.54 0.21 0.00 0.00 175.17 174.81 3h2w s LYS 22 N 0.97 2.90 0.02 8.23 1.02 -1.26 -4.85 119.74 126.77 3h2w s LYS 22 Ca 0.35 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3h2w s LYS 22 Cb -0.17 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3h2w s LYS 22 CO 0.16 -0.15 -0.03 0.50 -0.92 0.00 0.00 175.35 174.90 3h2w s ARG 23 N 1.17 0.30 0.28 1.68 3.52 -1.26 -1.42 118.95 123.21 3h2w s ARG 23 Ca 0.01 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 3h2w s ARG 23 Cb -0.14 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.23 3h2w s ARG 23 CO -0.09 -0.03 0.07 -0.59 -0.81 0.00 0.00 175.30 173.85 3h2w s PHE 24 N -1.22 1.71 0.09 5.12 -0.12 -0.40 -4.53 117.98 118.63 3h2w s PHE 24 Ca -0.13 -1.06 0.05 0.00 -0.05 0.00 0.00 56.93 55.74 3h2w s PHE 24 Cb -0.08 -1.05 -0.03 0.00 -0.63 0.00 0.00 43.02 41.22 3h2w s PHE 24 CO -0.01 -0.16 -0.13 -1.58 -0.05 0.00 0.00 175.22 173.30 3h2w s TRP 25 N -3.53 1.19 0.01 3.49 0.51 -0.12 -1.45 118.94 119.04 3h2w s TRP 25 Ca 0.36 -0.54 -0.14 0.00 -2.12 0.00 0.00 56.10 53.66 3h2w s TRP 25 Cb 0.08 -0.65 0.02 0.00 -0.81 0.00 0.00 33.47 32.11 3h2w s TRP 25 CO 0.14 0.06 0.30 0.96 -0.51 0.00 0.00 176.95 177.89 3h2w s ILE 26 N -1.79 0.07 -0.04 2.03 -4.36 -0.41 -1.08 121.20 115.63 3h2w s ILE 26 Ca 0.02 -0.56 -0.30 0.00 -0.26 0.00 0.00 60.65 59.55 3h2w s ILE 26 Cb -0.07 -0.73 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 3h2w s ILE 26 CO 0.02 -0.31 1.14 -1.10 0.24 0.00 0.00 174.94 174.93 3h2w s GLN 27 N -1.78 4.40 0.30 0.37 -0.21 -1.26 -1.47 119.66 120.02 3h2w s GLN 27 Ca -0.10 1.62 -0.01 0.00 0.02 0.00 0.00 55.36 56.88 3h2w s GLN 27 Cb -0.04 -3.51 -0.01 0.00 1.00 0.00 0.00 33.01 30.45 3h2w s GLN 27 CO 0.01 -0.35 0.36 0.00 -2.12 0.00 0.00 175.29 173.20 3h2w s ALA 28 N 1.84 0.97 0.00 6.09 0.00 -0.96 -4.93 121.76 124.76 3h2w s ALA 28 Ca 0.55 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3h2w s ALA 28 Cb -0.24 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.14 3h2w s ALA 28 CO 0.23 -0.73 0.85 -2.39 0.00 0.00 0.00 175.76 173.72 3h2w n HIS 29 N -0.50 0.00 -3.55 0.00 1.44 -1.26 -4.68 115.22 106.67 3h2w n HIS 29 Ca 0.02 -0.35 -0.08 0.00 -2.01 0.00 0.00 57.72 55.31 3h2w n HIS 29 Cb 0.63 -0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.68 3h2w n HIS 29 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3h2w s GLU 30 N -0.70 0.98 0.46 -1.40 -1.05 -1.26 -5.15 118.70 110.58 3h2w s GLU 30 Ca 0.00 -0.41 -0.23 0.00 -0.15 0.00 0.00 54.97 54.18 3h2w s GLU 30 Cb 0.00 0.42 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 3h2w s GLU 30 CO 0.00 -0.43 1.06 -2.30 0.95 0.00 0.00 175.26 174.54 3h2w n PRO 31 N -0.31 1.40 -4.10 -4.83 -0.02 -1.26 -4.96 135.00 120.91 3h2w n PRO 31 Ca -0.09 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 3h2w n PRO 31 Cb 0.62 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 3h2w n PRO 31 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h2w s GLN 32 N -2.20 0.51 0.60 -0.52 -0.21 -1.26 -4.96 119.66 111.62 3h2w s GLN 32 Ca 0.65 -0.58 -0.10 0.00 0.02 0.00 0.00 55.36 55.35 3h2w s GLN 32 Cb -0.52 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.10 3h2w s GLN 32 CO 0.55 0.08 0.99 -1.25 -2.12 0.00 0.00 175.29 173.54 3h2w s PRO 33 N -1.10 3.58 0.05 2.91 0.04 -1.26 -1.06 135.00 138.16 3h2w s PRO 33 Ca -0.06 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 3h2w s PRO 33 Cb -0.07 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3h2w s PRO 33 CO 0.00 -0.52 0.13 -0.59 0.04 0.00 0.00 177.00 176.06 3h2w s PHE 34 N -3.12 0.19 0.09 0.56 -0.12 -0.65 -4.21 117.98 110.72 3h2w s PHE 34 Ca 0.54 -0.52 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 3h2w s PHE 34 Cb -0.11 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 3h2w s PHE 34 CO 0.53 -0.42 0.01 0.00 -0.05 0.00 0.00 175.22 175.28 3h2w s ALA 35 N -3.02 0.69 -0.08 1.99 0.00 -0.70 -2.48 121.76 118.17 3h2w s ALA 35 Ca -0.02 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.65 3h2w s ALA 35 Cb 0.01 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3h2w s ALA 35 CO -0.06 -0.42 -0.20 -0.51 0.00 0.00 0.00 175.76 174.56 3h2w s LEU 36 N -2.98 1.95 0.18 0.00 1.02 -0.65 -0.93 118.68 117.26 3h2w s LEU 36 Ca 0.15 -0.46 0.09 0.00 0.02 0.00 0.00 54.13 53.93 3h2w s LEU 36 Cb 0.08 -1.20 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 3h2w s LEU 36 CO -0.04 0.14 -0.19 0.00 0.02 0.00 0.00 176.35 176.27 3h2w s ARG 37 N 0.32 1.34 0.95 1.70 1.70 0.04 -0.52 118.95 124.47 3h2w s ARG 37 Ca -0.14 -1.46 -0.12 0.00 -0.47 0.00 0.00 55.73 53.54 3h2w s ARG 37 Cb -0.16 -1.42 0.07 0.00 -0.57 0.00 0.00 34.95 32.87 3h2w s ARG 37 CO 0.06 0.29 0.61 0.25 -1.08 0.00 0.00 175.30 175.42 3h2w n THR 38 N 0.20 0.00 0.00 4.99 -2.24 -0.95 -0.70 114.28 115.57 3h2w n THR 38 Ca -0.12 -0.14 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h2w n THR 38 Cb 0.57 -0.73 0.30 0.00 -2.10 0.00 0.00 70.33 68.37 3h2w n THR 38 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3h2w h PRO 39 N -1.69 0.51 -1.66 -0.78 0.13 -1.93 -2.04 132.00 124.54 3h2w h PRO 39 Ca -0.44 -0.11 -0.73 0.00 -0.87 0.00 0.00 66.00 63.85 3h2w h PRO 39 Cb 1.28 -0.07 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3h2w h PRO 39 CO 0.36 0.55 1.00 -0.85 -0.23 0.00 0.00 178.00 178.82 3h2w n GLU 40 N -4.28 2.72 0.00 0.86 0.00 -1.26 -4.92 120.64 113.76 3h2w n GLU 40 Ca 0.01 -3.42 0.00 0.00 0.00 0.00 0.00 57.16 53.75 3h2w n GLU 40 Cb 0.25 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.41 3h2w n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h2w n GLY 41 N -0.65 2.44 3.64 -1.84 0.00 -0.77 -5.09 105.19 102.93 3h2w n GLY 41 Ca 0.57 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3h2w n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h2w s GLN 42 N 0.00 3.88 0.20 1.61 0.74 -1.26 -4.49 119.66 120.34 3h2w s GLN 42 Ca 0.00 1.67 -0.32 0.00 0.05 0.00 0.00 55.36 56.76 3h2w s GLN 42 Cb 0.00 -3.99 -0.14 0.00 1.10 0.00 0.00 33.01 29.97 3h2w s GLN 42 CO 0.00 -1.18 1.33 0.00 -0.55 0.00 0.00 175.29 174.89 3h2w n ALA 43 N 8.07 0.35 -0.01 1.58 0.00 -1.26 -2.25 120.51 126.99 3h2w n ALA 43 Ca 0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3h2w n ALA 43 Cb 0.45 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 3h2w n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h2w n VAL 44 N 1.94 0.11 -3.67 0.00 0.31 0.32 -4.92 118.33 112.42 3h2w n VAL 44 Ca 0.14 -0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 3h2w n VAL 44 Cb 0.28 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 32.99 3h2w n VAL 44 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3h2w s PHE 45 N -2.21 -0.73 0.06 3.52 5.36 -1.18 -5.00 117.98 117.79 3h2w s PHE 45 Ca -0.02 1.65 0.04 0.00 -0.96 0.00 0.00 56.93 57.64 3h2w s PHE 45 Cb 0.02 0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 42.99 3h2w s PHE 45 CO 0.17 -0.36 -0.11 0.00 -1.46 0.00 0.00 175.22 173.46 3h2w s ALA 46 N 0.79 0.88 0.14 11.12 0.00 -1.26 -1.64 121.76 131.79 3h2w s ALA 46 Ca -0.04 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3h2w s ALA 46 Cb -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3h2w s ALA 46 CO -0.06 0.08 0.35 0.41 0.00 0.00 0.00 175.76 176.54 3h2w n GLY 47 N 1.37 1.44 3.29 0.00 0.00 -1.03 -5.02 105.19 105.25 3h2w n GLY 47 Ca -0.22 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 3h2w n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h2w s MET 48 N -2.03 2.46 0.88 1.61 -1.94 -1.26 -1.64 119.30 117.37 3h2w s MET 48 Ca 0.07 -0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 53.05 3h2w s MET 48 Cb -0.02 -2.15 0.12 0.00 2.01 0.00 0.00 34.83 34.79 3h2w s MET 48 CO 0.04 0.43 1.13 0.95 -0.01 0.00 0.00 175.02 177.56 3h2w s THR 49 N -0.29 2.46 -0.00 2.05 -4.23 -0.22 -4.77 115.64 110.65 3h2w s THR 49 Ca 0.00 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 3h2w s THR 49 Cb -0.13 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3h2w s THR 49 CO 0.02 -0.20 0.11 -1.59 -0.54 0.00 0.00 174.62 172.43 3h2w s LYS 50 N -4.73 0.42 0.33 3.99 -2.85 -0.04 -4.46 119.74 112.39 3h2w s LYS 50 Ca 0.65 -0.35 -0.28 0.00 -1.00 0.00 0.00 55.97 54.99 3h2w s LYS 50 Cb -0.21 0.17 -0.10 0.00 -2.06 0.00 0.00 37.83 35.63 3h2w s LYS 50 CO 0.57 -0.09 1.27 -1.25 0.10 0.00 0.00 175.35 175.96 3h2w s PRO 51 N -1.19 4.36 0.00 1.78 0.04 -1.26 -1.62 135.00 137.11 3h2w s PRO 51 Ca -0.13 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3h2w s PRO 51 Cb -0.07 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3h2w s PRO 51 CO 0.01 -0.16 0.51 1.33 0.04 0.00 0.00 177.00 178.73 3h2w n VAL 52 N 0.78 0.25 0.00 -0.36 0.24 0.90 -4.88 118.33 115.26 3h2w n VAL 52 Ca 0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3h2w n VAL 52 Cb 0.42 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 3h2w n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h2w n GLY 53 N -0.13 3.96 7.00 7.63 0.00 -1.22 -4.37 105.19 118.06 3h2w n GLY 53 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3h2w n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2w n GLY 54 N -1.52 1.76 0.61 -0.02 0.00 -1.26 -0.16 105.19 104.61 3h2w n GLY 54 Ca 0.00 0.57 0.10 0.00 0.00 0.00 0.00 46.02 46.69 3h2w n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h2w n ASN 55 N 5.41 2.23 -4.75 1.61 2.85 -1.26 -5.03 115.26 116.33 3h2w n ASN 55 Ca 0.00 -1.62 -0.35 0.00 -0.11 0.00 0.00 54.58 52.50 3h2w n ASN 55 Cb 0.00 0.27 -0.08 0.00 1.24 0.00 0.00 39.78 41.21 3h2w n ASN 55 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 3h2w s TRP 56 N -2.00 3.44 -0.07 1.20 0.52 0.78 -2.26 118.94 120.55 3h2w s TRP 56 Ca 0.20 0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.73 3h2w s TRP 56 Cb 0.16 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 3h2w s TRP 56 CO 0.39 0.33 -0.06 0.71 0.02 0.00 0.00 176.95 178.34 3h2w s TYR 57 N 0.23 2.96 0.21 -1.98 2.02 -0.54 -0.07 117.35 120.18 3h2w s TYR 57 Ca 0.11 0.03 0.09 0.00 -0.37 0.00 0.00 57.07 56.93 3h2w s TYR 57 Cb -0.12 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3h2w s TYR 57 CO -0.00 0.34 -0.07 0.14 -1.57 0.00 0.00 175.55 174.39 3h2w s VAL 58 N -0.79 3.26 -0.05 0.71 -7.23 -0.64 -1.28 120.40 114.38 3h2w s VAL 58 Ca 0.12 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 3h2w s VAL 58 Cb -0.11 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.18 3h2w s VAL 58 CO 0.02 -0.20 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.68 3h2w s GLY 59 N -3.12 0.61 -0.13 2.32 0.00 -0.53 -0.86 107.32 105.62 3h2w s GLY 59 Ca 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 3h2w s GLY 59 CO 0.17 0.15 -0.02 -0.35 0.00 0.00 0.00 173.10 173.05 3h2w s ASP 60 N 0.59 5.01 -0.08 1.64 -1.08 -1.26 -1.28 116.67 120.21 3h2w s ASP 60 Ca -0.10 -0.02 0.17 0.00 -0.52 0.00 0.00 52.55 52.09 3h2w s ASP 60 Cb -0.13 -1.66 0.36 0.00 -1.46 0.00 0.00 42.92 40.03 3h2w s ASP 60 CO 0.02 0.25 1.17 2.22 0.52 0.00 0.00 175.17 179.34 3h2w n PHE 61 N 3.02 0.00 -0.51 -5.34 -1.74 -0.51 -4.88 117.46 107.50 3h2w n PHE 61 Ca -0.18 -0.82 0.42 0.00 -0.56 0.00 0.00 57.45 56.31 3h2w n PHE 61 Cb 0.53 -0.17 0.73 0.00 1.52 0.00 0.00 39.48 42.08 3h2w n PHE 61 CO 0.00 0.00 0.00 1.15 -0.56 0.00 0.00 176.76 177.35 3h2w h THR 62 N 4.38 0.15 0.00 1.97 2.02 -1.84 0.04 112.91 119.63 3h2w h THR 62 Ca -0.11 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3h2w h THR 62 Cb 1.46 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3h2w h THR 62 CO 0.05 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3h2w n ALA 63 N -2.71 1.75 -2.60 6.16 0.00 -1.26 -4.50 120.51 117.35 3h2w n ALA 63 Ca 0.37 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 3h2w n ALA 63 Cb 1.59 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 3h2w n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h2w s LEU 64 N -3.64 3.66 0.00 0.00 2.96 -0.00 -4.87 118.68 116.79 3h2w s LEU 64 Ca 0.07 -0.05 0.14 0.00 -0.22 0.00 0.00 54.13 54.07 3h2w s LEU 64 Cb 0.10 -3.05 0.26 0.00 0.50 0.00 0.00 46.19 44.00 3h2w s LEU 64 CO 0.35 -1.40 1.14 0.54 -1.32 0.00 0.00 176.35 175.66 3h2w n ARG 65 N 8.14 1.93 -3.18 1.98 5.12 -1.26 -4.90 116.66 124.48 3h2w n ARG 65 Ca 0.06 -1.79 -0.40 0.00 -1.93 0.00 0.00 57.85 53.79 3h2w n ARG 65 Cb 0.49 -1.31 -0.07 0.00 -1.16 0.00 0.00 32.46 30.41 3h2w n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h2w s VAL 66 N -1.09 5.03 0.70 1.55 1.01 -1.26 -4.88 120.40 121.46 3h2w s VAL 66 Ca 0.23 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 3h2w s VAL 66 Cb 0.14 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3h2w s VAL 66 CO 0.19 0.06 1.11 -0.81 0.00 0.00 0.00 175.10 175.65 3h2w n PRO 67 N 5.61 0.68 0.00 2.72 -0.04 -1.26 -4.90 135.00 137.81 3h2w n PRO 67 Ca -0.02 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3h2w n PRO 67 Cb 0.49 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3h2w n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2w n GLY 68 N 0.96 1.30 3.66 0.55 0.00 -0.31 -4.96 105.19 106.39 3h2w n GLY 68 Ca 0.14 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 3h2w n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h2w s THR 69 N -2.00 5.09 0.19 2.61 2.01 -1.26 -0.28 115.64 122.00 3h2w s THR 69 Ca 0.00 1.00 0.11 0.00 0.31 0.00 0.00 61.69 63.11 3h2w s THR 69 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3h2w s THR 69 CO 0.00 0.16 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.57 3h2w s TYR 70 N 1.73 2.37 -0.20 4.92 1.51 0.54 -3.64 117.35 124.57 3h2w s TYR 70 Ca 0.25 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 3h2w s TYR 70 Cb -0.15 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 3h2w s TYR 70 CO 0.10 0.51 0.13 0.99 -1.11 0.00 0.00 175.55 176.16 3h2w s THR 71 N -1.70 5.35 -0.22 -0.71 2.01 0.12 -1.14 115.64 119.34 3h2w s THR 71 Ca 0.22 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 3h2w s THR 71 Cb -0.08 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 3h2w s THR 71 CO 0.11 0.43 0.01 -0.22 -0.69 0.00 0.00 174.62 174.26 3h2w s LEU 72 N 0.43 3.20 -0.07 4.42 2.96 0.51 -0.78 118.68 129.35 3h2w s LEU 72 Ca 0.08 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3h2w s LEU 72 Cb -0.11 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3h2w s LEU 72 CO -0.01 0.01 -0.23 0.42 -1.32 0.00 0.00 176.35 175.22 3h2w s THR 73 N 1.32 2.23 -0.07 3.68 -4.23 -0.11 -1.30 115.64 117.16 3h2w s THR 73 Ca 0.04 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 3h2w s THR 73 Cb -0.15 -1.83 0.04 0.00 1.34 0.00 0.00 72.50 71.90 3h2w s THR 73 CO 0.01 0.57 0.16 0.54 -0.54 0.00 0.00 174.62 175.36 3h2w s VAL 74 N -0.05 -0.07 0.00 2.29 0.11 -0.79 -1.72 120.40 120.17 3h2w s VAL 74 Ca -0.06 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3h2w s VAL 74 Cb -0.15 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 3h2w s VAL 74 CO 0.05 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 3h2w n GLY 75 N 4.31 4.11 0.82 6.54 0.00 -1.26 -0.85 105.19 118.86 3h2w n GLY 75 Ca -0.25 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3h2w n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h2w n THR 76 N 0.00 1.62 -4.05 2.61 -2.24 -1.26 -5.02 114.28 105.93 3h2w n THR 76 Ca 0.00 -1.39 -0.27 0.00 -2.27 0.00 0.00 64.05 60.12 3h2w n THR 76 Cb 0.00 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 3h2w n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h2w s LEU 77 N -1.85 3.90 -0.02 3.22 1.43 -0.03 -5.13 118.68 120.21 3h2w s LEU 77 Ca 0.33 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3h2w s LEU 77 Cb 0.23 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.95 3h2w s LEU 77 CO 0.13 0.08 0.05 -1.61 0.23 0.00 0.00 176.35 175.24 3h2w s GLU 78 N -3.03 0.03 0.08 1.70 2.02 -1.26 -1.89 118.70 116.35 3h2w s GLU 78 Ca 0.31 0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.49 3h2w s GLU 78 Cb -0.10 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 3h2w s GLU 78 CO 0.24 -0.07 -0.13 0.00 0.02 0.00 0.00 175.26 175.32 3h2w s ALA 79 N 0.44 1.16 -0.31 5.21 0.00 -0.42 -4.87 121.76 122.98 3h2w s ALA 79 Ca -0.03 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 3h2w s ALA 79 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3h2w s ALA 79 CO -0.02 0.11 0.27 0.50 0.00 0.00 0.00 175.76 176.63 3h2w s ARG 80 N -2.04 3.76 -0.03 0.00 6.06 -1.26 -0.36 118.95 125.07 3h2w s ARG 80 Ca 0.00 -0.36 0.07 0.00 -2.50 0.00 0.00 55.73 52.94 3h2w s ARG 80 Cb -0.08 -3.73 -0.02 0.00 0.06 0.00 0.00 34.95 31.18 3h2w s ARG 80 CO 0.02 -0.34 -0.23 0.14 -2.50 0.00 0.00 175.30 172.38 3h2w s VAL 81 N 1.86 2.28 -0.10 7.11 -7.23 -0.29 -4.98 120.40 119.05 3h2w s VAL 81 Ca 0.09 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3h2w s VAL 81 Cb -0.16 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 3h2w s VAL 81 CO 0.11 0.58 -0.18 0.54 -0.31 0.00 0.00 175.10 175.84 3h2w s VAL 82 N -0.57 2.60 -0.13 1.32 0.11 -1.26 -0.34 120.40 122.13 3h2w s VAL 82 Ca 0.08 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 3h2w s VAL 82 Cb -0.11 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 3h2w s VAL 82 CO -0.00 0.55 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.59 3h2w s ILE 83 N 0.18 3.36 -0.03 7.04 1.01 0.61 -0.32 121.20 133.06 3h2w s ILE 83 Ca -0.10 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 3h2w s ILE 83 Cb -0.16 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.91 3h2w s ILE 83 CO 0.06 0.52 0.38 -2.28 0.00 0.00 0.00 174.94 173.62 3h2w s HIS 84 N 0.27 -0.28 0.26 3.97 2.46 -0.57 -1.16 115.29 120.23 3h2w s HIS 84 Ca -0.07 0.48 -0.02 0.00 0.47 0.00 0.00 55.06 55.91 3h2w s HIS 84 Cb -0.15 0.15 0.52 0.00 -0.13 0.00 0.00 32.58 32.97 3h2w s HIS 84 CO 0.04 -0.41 1.72 -0.09 -2.47 0.00 0.00 174.74 173.53 3h2w h ARG 85 N 3.86 0.42 -2.27 2.88 9.65 -1.94 -2.51 114.38 124.46 3h2w h ARG 85 Ca -0.29 -0.03 -0.59 0.00 -1.10 0.00 0.00 59.98 57.98 3h2w h ARG 85 Cb 1.17 -0.10 -0.40 0.00 -1.39 0.00 0.00 29.97 29.25 3h2w h ARG 85 CO 0.39 0.28 -0.85 0.54 2.80 0.00 0.00 179.97 183.13 3h2w n ARG 86 N -5.01 1.36 0.22 0.20 1.74 -1.26 -4.54 116.66 109.37 3h2w n ARG 86 Ca 0.16 -3.86 0.10 0.00 -0.77 0.00 0.00 57.85 53.49 3h2w n ARG 86 Cb 0.47 -1.77 0.66 0.00 -1.02 0.00 0.00 32.46 30.79 3h2w n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h2w h ALA 87 N 4.52 2.07 -0.09 7.54 0.00 -1.78 -3.04 119.26 128.47 3h2w h ALA 87 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h2w h ALA 87 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h2w h ALA 87 CO 0.60 -0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.40 3h2w n TYR 88 N -4.48 0.08 -0.17 0.00 4.01 -1.26 -4.52 117.16 110.82 3h2w n TYR 88 Ca -0.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 57.90 57.67 3h2w n TYR 88 Cb 0.18 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.28 3h2w n TYR 88 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3h2w h ARG 89 N 4.52 0.22 0.37 -0.72 2.43 -1.95 0.55 114.38 119.79 3h2w h ARG 89 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3h2w h ARG 89 Cb 0.97 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3h2w h ARG 89 CO 0.00 0.14 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.96 3h2w h ASP 90 N 0.22 -0.50 -0.50 -3.80 3.32 -1.83 -0.90 116.42 112.43 3h2w h ASP 90 Ca 0.27 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 3h2w h ASP 90 Cb 0.37 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3h2w h ASP 90 CO -0.36 -0.34 0.15 1.62 -1.72 0.00 0.00 179.24 178.59 3h2w h VAL 91 N -0.54 1.22 -0.54 -1.35 3.04 -1.73 0.32 116.25 116.68 3h2w h VAL 91 Ca -0.04 -0.80 -0.03 0.00 -1.01 0.00 0.00 66.70 64.81 3h2w h VAL 91 Cb 0.43 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 3h2w h VAL 91 CO 0.06 0.30 0.21 0.25 -1.01 0.00 0.00 177.57 177.38 3h2w h LEU 92 N 0.82 0.75 -0.58 3.16 5.85 -0.77 0.11 115.31 124.66 3h2w h LEU 92 Ca 0.18 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h2w h LEU 92 Cb 0.28 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3h2w h LEU 92 CO -0.00 0.73 0.35 -0.08 -0.34 0.00 0.00 178.44 179.09 3h2w h GLU 93 N 0.74 0.78 -0.56 1.25 4.81 -0.49 -0.66 114.58 120.46 3h2w h GLU 93 Ca 0.18 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3h2w h GLU 93 Cb 0.21 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3h2w h GLU 93 CO -0.01 0.57 0.36 0.00 -0.73 0.00 0.00 179.01 179.19 3h2w h ALA 94 N 1.17 0.71 -0.18 2.92 0.00 -0.42 -0.29 119.26 123.19 3h2w h ALA 94 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3h2w h ALA 94 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h2w h ALA 94 CO -0.04 0.11 -0.30 0.52 0.00 0.00 0.00 179.25 179.54 3h2w h MET 95 N 0.72 0.34 -0.17 0.00 2.86 -0.21 -0.92 114.93 117.55 3h2w h MET 95 Ca 0.21 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 3h2w h MET 95 Cb -0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 3h2w h MET 95 CO -0.07 0.62 -0.29 1.25 1.06 0.00 0.00 176.91 179.47 3h2w h LEU 96 N 0.30 0.55 -2.33 1.22 5.85 -0.94 -3.28 115.31 116.68 3h2w h LEU 96 Ca 0.04 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3h2w h LEU 96 Cb 0.69 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3h2w h LEU 96 CO 0.05 0.98 -0.02 0.03 -0.34 0.00 0.00 178.44 179.14 3h2w h ARG 97 N 0.13 0.00 -0.86 1.25 3.08 -0.20 -2.00 114.38 115.78 3h2w h ARG 97 Ca 0.01 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3h2w h ARG 97 Cb 0.88 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.87 3h2w h ARG 97 CO 0.07 0.02 0.55 0.35 -1.07 0.00 0.00 179.97 179.89 3h2w h PHE 98 N 0.00 0.88 -0.76 3.04 3.57 -1.26 0.03 116.94 122.44 3h2w h PHE 98 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3h2w h PHE 98 Cb 0.21 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3h2w h PHE 98 CO 0.00 0.40 0.27 0.74 -2.23 0.00 0.00 178.31 177.49 3h2w h PHE 99 N 0.81 1.19 -0.39 0.41 0.04 -1.54 0.23 116.94 117.68 3h2w h PHE 99 Ca 0.40 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.98 3h2w h PHE 99 Cb 0.45 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3h2w h PHE 99 CO -0.00 0.91 -0.12 -0.44 -0.60 0.00 0.00 178.31 178.06 3h2w h ASP 100 N 1.12 0.68 -0.13 2.17 3.32 -1.34 -2.64 116.42 119.61 3h2w h ASP 100 Ca 0.25 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3h2w h ASP 100 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h2w h ASP 100 CO -0.02 0.83 -0.01 1.88 -1.72 0.00 0.00 179.24 180.21 3h2w h TYR 101 N 0.63 0.36 0.00 4.55 0.05 -0.12 -2.37 116.97 120.07 3h2w h TYR 101 Ca 0.11 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3h2w h TYR 101 Cb 0.58 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3h2w h TYR 101 CO 0.03 0.38 0.00 1.04 -1.05 0.00 0.00 178.16 178.55 3h2w n GLN 102 N -4.34 0.85 -1.92 4.88 1.13 -0.02 -4.92 117.38 113.04 3h2w n GLN 102 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 3h2w n GLN 102 Cb 0.21 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.09 3h2w n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3h2w s LEU 103 N -1.90 4.37 -0.16 1.08 1.43 -0.89 0.44 118.68 123.04 3h2w s LEU 103 Ca 0.37 2.77 -0.08 0.00 -1.03 0.00 0.00 54.13 56.16 3h2w s LEU 103 Cb 0.17 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3h2w s LEU 103 CO 0.28 -0.78 0.11 0.00 0.23 0.00 0.00 176.35 176.19 3h2w n GLY 105 N 2.94 0.03 2.97 0.00 0.00 -0.94 -2.73 105.19 107.45 3h2w n GLY 105 Ca -0.18 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 3h2w n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h2w s VAL 106 N -2.62 -0.09 -0.14 1.61 -7.23 -1.26 -4.78 120.40 105.89 3h2w s VAL 106 Ca 0.06 0.19 -0.35 0.00 -1.81 0.00 0.00 61.98 60.07 3h2w s VAL 106 Cb -0.03 -0.31 -0.12 0.00 0.56 0.00 0.00 36.38 36.49 3h2w s VAL 106 CO 0.07 0.08 1.91 0.52 -0.31 0.00 0.00 175.10 177.37 3h2w n VAL 107 N 4.41 0.52 -3.23 1.32 0.31 -1.26 -4.25 118.33 116.15 3h2w n VAL 107 Ca -0.23 -0.12 -0.45 0.00 -0.01 0.00 0.00 64.34 63.53 3h2w n VAL 107 Cb 0.52 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 3h2w n VAL 107 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3h2w s LEU 108 N 4.44 5.85 0.39 7.52 1.43 0.16 -4.95 118.68 133.52 3h2w s LEU 108 Ca 0.95 -1.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.17 3h2w s LEU 108 Cb -0.73 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.15 3h2w s LEU 108 CO 0.53 -0.95 1.14 -2.16 0.23 0.00 0.00 176.35 175.13 3h2w s PRO 109 N 2.03 4.12 0.36 1.29 0.04 -1.26 -1.82 135.00 139.75 3h2w s PRO 109 Ca 0.06 1.76 0.17 0.00 0.04 0.00 0.00 61.00 63.04 3h2w s PRO 109 Cb -0.27 -2.68 1.17 0.00 0.04 0.00 0.00 34.50 32.76 3h2w s PRO 109 CO 0.04 -0.24 1.64 1.49 0.04 0.00 0.00 177.00 179.98 3h2w h GLU 110 N 2.69 0.23 0.00 4.56 4.57 -1.94 0.32 114.58 125.00 3h2w h GLU 110 Ca -0.48 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3h2w h GLU 110 Cb 1.23 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3h2w h GLU 110 CO 0.63 0.15 -0.07 0.38 -1.18 0.00 0.00 179.01 178.92 3h2w h ASP 111 N 0.23 0.00 0.00 1.04 3.04 -1.92 -0.07 116.42 118.74 3h2w h ASP 111 Ca 0.77 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 54.27 3h2w h ASP 111 Cb 1.87 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 40.11 3h2w h ASP 111 CO -0.62 0.07 -2.07 -0.62 -2.04 0.00 0.00 179.24 173.96 3h2w n GLU 112 N -3.64 1.13 -0.02 4.15 -0.58 0.24 -4.73 120.64 117.19 3h2w n GLU 112 Ca -0.02 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 3h2w n GLU 112 Cb 0.18 -1.39 -0.13 0.00 -0.57 0.00 0.00 31.44 29.53 3h2w n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h2w n ALA 113 N -2.75 1.72 -0.47 0.62 0.00 0.86 -4.96 120.51 115.52 3h2w n ALA 113 Ca -0.28 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3h2w n ALA 113 Cb 0.95 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3h2w n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2w n GLY 114 N 1.53 0.92 0.07 0.00 0.00 -0.05 -3.21 105.19 104.44 3h2w n GLY 114 Ca -0.17 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.14 3h2w n GLY 114 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h2w n PRO 115 N 6.31 0.07 -0.95 1.61 -0.02 -1.26 -1.91 135.00 138.86 3h2w n PRO 115 Ca 0.00 0.48 -0.04 0.00 -2.02 0.00 0.00 63.50 61.92 3h2w n PRO 115 Cb 0.00 -1.69 0.30 0.00 -0.02 0.00 0.00 33.50 32.08 3h2w n PRO 115 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3h2w n TRP 116 N -1.84 2.20 -2.05 6.00 8.01 -1.20 -4.94 117.44 123.62 3h2w n TRP 116 Ca 0.01 -1.19 -0.33 0.00 -1.31 0.00 0.00 57.50 54.68 3h2w n TRP 116 Cb 0.08 -0.63 0.01 0.00 -2.01 0.00 0.00 31.31 28.76 3h2w n TRP 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3h2w s ALA 117 N -3.00 2.73 0.24 6.99 0.00 -0.80 -4.95 121.76 122.97 3h2w s ALA 117 Ca 0.53 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 3h2w s ALA 117 Cb 0.43 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 20.36 3h2w s ALA 117 CO 0.12 -0.82 0.85 -3.38 0.00 0.00 0.00 175.76 172.54 3h2w s HIS 118 N -2.43 -0.09 0.63 0.00 -3.43 -0.76 -4.99 115.29 104.22 3h2w s HIS 118 Ca 0.64 -0.35 -0.01 0.00 -0.80 0.00 0.00 55.06 54.53 3h2w s HIS 118 Cb -0.16 0.71 0.06 0.00 -1.43 0.00 0.00 32.58 31.75 3h2w s HIS 118 CO 0.37 -1.12 0.88 0.20 -2.00 0.00 0.00 174.74 173.07 3h2w s GLY 119 N -3.01 1.78 0.33 -1.38 0.00 -1.26 0.38 107.32 104.16 3h2w s GLY 119 Ca 0.13 -1.29 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 3h2w s GLY 119 CO 0.06 -0.92 1.56 0.00 0.00 0.00 0.00 173.10 173.79 3h2w n ALA 120 N -2.60 2.48 -2.54 3.20 0.00 -1.26 -4.62 120.51 115.18 3h2w n ALA 120 Ca 0.09 0.36 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 3h2w n ALA 120 Cb 0.60 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 3h2w n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h2w n HIS 122 N -0.83 -1.82 1.27 0.00 8.25 -1.26 -2.22 115.22 118.61 3h2w n HIS 122 Ca -0.05 0.62 0.12 0.00 -0.26 0.00 0.00 57.72 58.16 3h2w n HIS 122 Cb 0.63 -2.98 0.66 0.00 1.12 0.00 0.00 29.99 29.42 3h2w n HIS 122 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3h2w n THR 123 N -4.13 0.16 -1.50 1.59 -2.24 -1.26 -4.84 114.28 102.06 3h2w n THR 123 Ca 0.03 0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 3h2w n THR 123 Cb 0.52 -0.63 0.17 0.00 -2.10 0.00 0.00 70.33 68.29 3h2w n THR 123 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h2w s SER 124 N -2.47 2.89 0.55 3.42 1.04 -1.26 -5.05 113.70 112.83 3h2w s SER 124 Ca 0.27 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.40 3h2w s SER 124 Cb 0.17 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.05 3h2w s SER 124 CO 0.37 -2.92 0.91 -1.81 0.98 0.00 0.00 173.24 170.77 3h2w s ASP 125 N -4.13 6.21 -0.02 7.02 1.01 -1.26 -4.76 116.67 120.74 3h2w s ASP 125 Ca 0.67 1.16 0.00 0.00 0.71 0.00 0.00 52.55 55.09 3h2w s ASP 125 Cb -0.12 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 3h2w s ASP 125 CO 0.54 -0.74 0.03 0.00 0.21 0.00 0.00 175.17 175.21 3h2w s ALA 126 N -2.97 3.40 -0.11 5.23 0.00 0.17 -4.31 121.76 123.17 3h2w s ALA 126 Ca 0.51 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 3h2w s ALA 126 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3h2w s ALA 126 CO 0.49 0.65 0.44 0.15 0.00 0.00 0.00 175.76 177.49 3h2w s LYS 127 N -1.49 4.28 0.08 0.00 1.02 -0.43 0.10 119.74 123.30 3h2w s LYS 127 Ca 0.19 0.38 -0.31 0.00 0.02 0.00 0.00 55.97 56.26 3h2w s LYS 127 Cb -0.12 -3.41 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 3h2w s LYS 127 CO 0.10 0.23 1.68 0.08 -0.92 0.00 0.00 175.35 176.52 3h2w s VAL 128 N 0.41 2.97 0.17 3.17 1.01 -0.61 -1.12 120.40 126.40 3h2w s VAL 128 Ca 0.24 0.42 -0.33 0.00 0.00 0.00 0.00 61.98 62.32 3h2w s VAL 128 Cb -0.15 -3.27 -0.16 0.00 0.00 0.00 0.00 36.38 32.80 3h2w s VAL 128 CO 0.09 -0.00 1.13 0.33 0.00 0.00 0.00 175.10 176.65 3h2w n PHE 129 N 5.62 1.21 -3.87 5.22 7.35 -0.55 -1.10 117.46 131.33 3h2w n PHE 129 Ca 0.16 0.70 -0.29 0.00 -0.76 0.00 0.00 57.45 57.27 3h2w n PHE 129 Cb 0.40 -2.26 0.03 0.00 0.35 0.00 0.00 39.48 38.00 3h2w n PHE 129 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h2w n GLY 130 N 1.96 -0.48 3.46 7.13 0.00 -1.26 -4.96 105.19 111.05 3h2w n GLY 130 Ca 0.15 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 3h2w n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h2w s THR 131 N -3.34 0.00 -1.35 2.61 -4.23 -0.26 -5.03 115.64 104.04 3h2w s THR 131 Ca 0.59 -1.60 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 3h2w s THR 131 Cb -0.30 -2.33 0.70 0.00 1.34 0.00 0.00 72.50 71.92 3h2w s THR 131 CO 0.82 0.00 1.61 -0.62 -0.54 0.00 0.00 174.62 175.89 3h2w n GLU 132 N -0.36 3.48 -2.83 3.99 -0.58 -1.26 -4.67 120.64 118.40 3h2w n GLU 132 Ca -0.00 -2.84 -0.41 0.00 -0.42 0.00 0.00 57.16 53.49 3h2w n GLU 132 Cb 0.63 -1.81 -0.04 0.00 -0.57 0.00 0.00 31.44 29.65 3h2w n GLU 132 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3h2w s ARG 133 N -1.63 4.57 0.26 3.49 0.52 -1.26 -5.00 118.95 119.90 3h2w s ARG 133 Ca 0.51 1.26 -0.00 0.00 -0.52 0.00 0.00 55.73 56.98 3h2w s ARG 133 Cb 0.31 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 3h2w s ARG 133 CO 0.27 0.14 0.45 0.00 0.02 0.00 0.00 175.30 176.18 3h2w s ALA 134 N 0.37 3.77 -0.08 2.13 0.00 -1.26 -1.57 121.76 125.12 3h2w s ALA 134 Ca 0.45 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 3h2w s ALA 134 Cb -0.21 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 20.90 3h2w s ALA 134 CO 0.26 0.26 0.44 -1.17 0.00 0.00 0.00 175.76 175.55 3h2w s LEU 135 N -3.69 0.32 -0.26 0.00 2.96 0.12 -4.90 118.68 113.22 3h2w s LEU 135 Ca 0.39 0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 54.69 3h2w s LEU 135 Cb -0.10 1.63 -0.04 0.00 0.50 0.00 0.00 46.19 48.18 3h2w s LEU 135 CO 0.31 -0.36 0.39 0.00 -1.32 0.00 0.00 176.35 175.37 3h2w s ALA 136 N -0.67 3.57 -0.50 5.97 0.00 -1.26 0.44 121.76 129.30 3h2w s ALA 136 Ca -0.08 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.19 3h2w s ALA 136 Cb -0.03 -2.72 0.34 0.00 0.00 0.00 0.00 23.12 20.70 3h2w s ALA 136 CO 0.04 -0.63 0.87 0.00 0.00 0.00 0.00 175.76 176.03 3h2w s PRO 138 N -3.07 3.59 0.27 0.00 0.04 -1.26 -4.93 135.00 129.64 3h2w s PRO 138 Ca 0.46 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.84 3h2w s PRO 138 Cb 0.30 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3h2w s PRO 138 CO -0.12 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.09 3h2w n GLY 139 N -2.20 -2.52 7.00 0.56 0.00 -1.11 -4.49 105.19 102.44 3h2w n GLY 139 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3h2w n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2w n GLY 140 N -0.20 -1.66 3.65 -0.02 0.00 -1.18 -4.59 105.19 101.19 3h2w n GLY 140 Ca 0.00 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 3h2w n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h2w s TRP 141 N 0.00 3.03 0.21 1.61 0.51 -1.26 -0.34 118.94 122.71 3h2w s TRP 141 Ca 0.00 0.07 -0.31 0.00 -2.12 0.00 0.00 56.10 53.74 3h2w s TRP 141 Cb 0.00 -1.69 -0.11 0.00 -0.81 0.00 0.00 33.47 30.87 3h2w s TRP 141 CO 0.00 0.43 1.57 -1.01 -0.51 0.00 0.00 176.95 177.42 3h2w s HIS 142 N -0.99 2.97 0.21 -1.98 3.76 0.17 -4.50 115.29 114.93 3h2w s HIS 142 Ca 0.17 0.70 -0.08 0.00 -0.15 0.00 0.00 55.06 55.70 3h2w s HIS 142 Cb -0.11 -3.96 0.14 0.00 1.11 0.00 0.00 32.58 29.76 3h2w s HIS 142 CO 0.07 -3.42 1.76 0.22 -0.85 0.00 0.00 174.74 172.52 3h2w h ASP 143 N 6.03 1.10 0.00 1.40 3.58 -0.93 -3.43 116.42 124.17 3h2w h ASP 143 Ca -0.44 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 56.81 3h2w h ASP 143 Cb 1.21 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.97 3h2w h ASP 143 CO 0.87 1.00 0.00 0.00 -2.88 0.00 0.00 179.24 178.23 3h2w n ALA 144 N -2.44 0.00 0.24 -0.78 0.00 -1.26 -0.98 120.51 115.28 3h2w n ALA 144 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 3h2w n ALA 144 Cb 0.21 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.20 3h2w n ALA 144 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h2w h GLY 145 N 0.00 0.00 -0.84 0.00 0.00 -1.69 -3.45 103.07 97.09 3h2w h GLY 145 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3h2w h GLY 145 CO 0.00 0.00 -0.02 2.09 0.00 0.00 0.00 176.54 178.61 3h2w n ASP 146 N -3.41 1.06 -0.65 0.19 5.75 -1.26 -2.21 116.55 116.02 3h2w n ASP 146 Ca -0.00 -1.78 0.08 0.00 -0.01 0.00 0.00 54.79 53.08 3h2w n ASP 146 Cb 0.38 -0.24 0.22 0.00 -1.03 0.00 0.00 41.12 40.45 3h2w n ASP 146 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3h2w n TYR 147 N -1.74 0.65 -1.64 2.11 4.01 -1.26 -4.23 117.16 115.06 3h2w n TYR 147 Ca 0.09 -0.98 -0.31 0.00 -0.16 0.00 0.00 57.90 56.54 3h2w n TYR 147 Cb 0.32 -0.28 0.05 0.00 -0.31 0.00 0.00 39.34 39.12 3h2w n TYR 147 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3h2w s GLY 148 N -2.29 1.66 -0.16 2.72 0.00 -1.26 -4.78 107.32 103.20 3h2w s GLY 148 Ca 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 3h2w s GLY 148 CO 0.06 0.30 -0.06 0.54 0.00 0.00 0.00 173.10 173.95 3h2w s LYS 149 N -5.11 1.49 -0.13 2.90 1.02 -0.95 -0.45 119.74 118.51 3h2w s LYS 149 Ca 0.58 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.06 3h2w s LYS 149 Cb -0.13 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3h2w s LYS 149 CO 0.54 -0.42 -0.18 0.71 -0.92 0.00 0.00 175.35 175.09 3h2w s TYR 150 N 1.62 2.30 0.16 3.18 1.51 -1.26 -1.41 117.35 123.45 3h2w s TYR 150 Ca 0.01 -1.18 -0.19 0.00 -1.01 0.00 0.00 57.07 54.71 3h2w s TYR 150 Cb -0.15 -1.62 0.08 0.00 -0.11 0.00 0.00 41.96 40.16 3h2w s TYR 150 CO -0.08 -0.58 1.65 1.15 -1.11 0.00 0.00 175.55 176.58 3h2w h THR 151 N 5.93 0.52 0.80 -0.71 2.02 -1.59 -1.98 112.91 117.90 3h2w h THR 151 Ca -0.34 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 3h2w h THR 151 Cb 1.17 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3h2w h THR 151 CO 0.53 0.00 -0.41 0.58 0.37 0.00 0.00 175.52 176.59 3h2w h VAL 152 N -0.09 0.00 0.00 3.16 2.07 -1.89 -1.30 116.25 118.20 3h2w h VAL 152 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3h2w h VAL 152 Cb 0.36 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3h2w h VAL 152 CO -0.42 0.00 -0.06 1.55 0.02 0.00 0.00 177.57 178.67 3h2w h PRO 153 N -1.11 0.00 -0.88 1.57 0.13 -1.88 -1.15 132.00 128.68 3h2w h PRO 153 Ca -0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3h2w h PRO 153 Cb 0.86 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 3h2w h PRO 153 CO 0.17 0.06 0.47 0.00 -0.23 0.00 0.00 178.00 178.46 3h2w h ALA 154 N 1.94 1.13 -0.70 -0.56 0.00 -0.73 -2.95 119.26 117.39 3h2w h ALA 154 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3h2w h ALA 154 Cb 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3h2w h ALA 154 CO 0.01 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.33 3h2w h ALA 155 N 1.25 0.93 -0.68 0.00 0.00 -0.07 -1.96 119.26 118.73 3h2w h ALA 155 Ca 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3h2w h ALA 155 Cb 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3h2w h ALA 155 CO -0.05 0.17 0.41 -0.22 0.00 0.00 0.00 179.25 179.55 3h2w h LYS 156 N 0.81 0.75 -0.58 0.00 3.64 -1.57 -0.24 116.57 119.38 3h2w h LYS 156 Ca 0.29 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3h2w h LYS 156 Cb 0.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3h2w h LYS 156 CO -0.14 0.50 -0.00 0.00 -2.27 0.00 0.00 179.45 177.54 3h2w h ALA 157 N 1.32 0.90 -0.02 5.00 0.00 -1.32 0.22 119.26 125.36 3h2w h ALA 157 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h2w h ALA 157 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h2w h ALA 157 CO -0.14 0.65 -0.05 0.28 0.00 0.00 0.00 179.25 179.99 3h2w h VAL 158 N 0.92 1.49 -0.41 0.00 2.07 -1.10 -2.13 116.25 117.09 3h2w h VAL 158 Ca 0.17 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.26 3h2w h VAL 158 Cb 0.54 2.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.70 3h2w h VAL 158 CO 0.03 0.40 -0.10 0.00 0.02 0.00 0.00 177.57 177.92 3h2w h ALA 159 N 0.39 0.26 -0.53 1.67 0.00 -0.94 -0.58 119.26 119.53 3h2w h ALA 159 Ca -0.00 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3h2w h ALA 159 Cb 0.68 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 3h2w h ALA 159 CO 0.01 -0.45 0.21 -0.44 0.00 0.00 0.00 179.25 178.58 3h2w h ASP 160 N -0.00 0.25 -0.06 0.00 3.32 -0.54 -0.53 116.42 118.84 3h2w h ASP 160 Ca 0.20 0.05 -0.20 0.00 0.02 0.00 0.00 57.03 57.10 3h2w h ASP 160 Cb 0.30 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3h2w h ASP 160 CO -0.42 0.17 -0.68 -0.07 -1.72 0.00 0.00 179.24 176.52 3h2w h LEU 161 N 0.41 0.80 -0.55 1.55 3.38 -0.80 -0.97 115.31 119.13 3h2w h LEU 161 Ca 0.25 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3h2w h LEU 161 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3h2w h LEU 161 CO -0.23 1.26 0.19 -0.07 0.09 0.00 0.00 178.44 179.67 3h2w h LEU 162 N 0.50 0.79 -0.80 1.67 3.38 -0.99 -1.18 115.31 118.68 3h2w h LEU 162 Ca -0.02 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.84 3h2w h LEU 162 Cb 1.27 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 3h2w h LEU 162 CO 0.13 0.78 0.45 -0.07 0.09 0.00 0.00 178.44 179.82 3h2w h LEU 163 N 0.77 0.64 -0.78 1.67 3.38 -0.99 -0.28 115.31 119.71 3h2w h LEU 163 Ca 0.18 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3h2w h LEU 163 Cb 0.25 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3h2w h LEU 163 CO -0.01 0.37 0.42 0.00 0.09 0.00 0.00 178.44 179.31 3h2w h ALA 164 N 1.44 1.00 -0.00 1.53 0.00 -0.55 -0.75 119.26 121.94 3h2w h ALA 164 Ca 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h2w h ALA 164 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h2w h ALA 164 CO -0.24 0.53 0.00 1.25 0.00 0.00 0.00 179.25 180.78 3h2w h HIS 165 N 1.09 0.00 -0.44 0.00 -0.00 -0.82 0.11 115.15 115.09 3h2w h HIS 165 Ca 0.27 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.70 3h2w h HIS 165 Cb 0.05 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 3h2w h HIS 165 CO 0.00 0.26 0.30 0.93 -0.00 0.00 0.00 177.93 179.42 3h2w h GLU 166 N -0.26 0.34 0.05 5.26 5.08 -0.69 -3.04 114.58 121.31 3h2w h GLU 166 Ca 0.00 -0.02 -0.38 0.00 -1.00 0.00 0.00 59.36 57.96 3h2w h GLU 166 Cb 0.26 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3h2w h GLU 166 CO 0.00 0.22 -2.21 0.66 -1.00 0.00 0.00 179.01 176.68 3h2w n TYR 167 N -4.47 0.57 -2.53 4.33 4.01 -0.32 -4.77 117.16 113.98 3h2w n TYR 167 Ca 0.06 0.14 -0.18 0.00 -0.16 0.00 0.00 57.90 57.75 3h2w n TYR 167 Cb 0.26 -1.07 0.02 0.00 -0.31 0.00 0.00 39.34 38.23 3h2w n TYR 167 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3h2w n PHE 168 N -3.51 2.35 0.08 -0.72 3.72 0.39 -4.90 117.46 114.88 3h2w n PHE 168 Ca -0.40 -2.83 0.02 0.00 -0.05 0.00 0.00 57.45 54.18 3h2w n PHE 168 Cb 0.98 -0.23 0.36 0.00 -0.94 0.00 0.00 39.48 39.66 3h2w n PHE 168 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h2w h PRO 169 N 2.70 0.33 0.39 -1.08 0.13 -1.67 -1.75 132.00 131.05 3h2w h PRO 169 Ca 0.13 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3h2w h PRO 169 Cb 1.10 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h2w h PRO 169 CO 0.66 0.43 -0.20 0.00 -0.23 0.00 0.00 178.00 178.67 3h2w h ALA 170 N 1.60 -0.54 -0.30 -0.56 0.00 -1.90 0.37 119.26 117.93 3h2w h ALA 170 Ca 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3h2w h ALA 170 Cb 0.36 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3h2w h ALA 170 CO 0.02 -0.80 0.01 0.00 0.00 0.00 0.00 179.25 178.47 3h2w h ALA 171 N 0.07 0.27 0.00 0.00 0.00 -1.73 -2.58 119.26 115.30 3h2w h ALA 171 Ca -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3h2w h ALA 171 Cb 0.42 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h2w h ALA 171 CO 0.08 -0.40 -0.22 -0.07 0.00 0.00 0.00 179.25 178.64 3h2w h LEU 172 N 0.10 0.00 -1.28 0.00 3.38 -1.16 -2.66 115.31 113.69 3h2w h LEU 172 Ca 0.14 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.23 3h2w h LEU 172 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3h2w h LEU 172 CO -0.23 0.22 0.56 0.00 0.09 0.00 0.00 178.44 179.07 3h2w h ALA 173 N 1.78 1.76 -0.13 1.53 0.00 -0.49 -2.01 119.26 121.70 3h2w h ALA 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2w h ALA 173 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h2w h ALA 173 CO 0.03 0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.04 3h2w n HIS 174 N -4.54 0.27 -4.42 0.00 8.25 -1.00 -4.83 115.22 108.96 3h2w n HIS 174 Ca 0.15 -0.11 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 3h2w n HIS 174 Cb 0.38 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.31 3h2w n HIS 174 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3h2w s VAL 175 N -1.62 2.24 -0.14 1.59 -7.23 -0.76 -5.04 120.40 109.44 3h2w s VAL 175 Ca 0.10 -2.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.06 3h2w s VAL 175 Cb 0.06 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.86 3h2w s VAL 175 CO 0.05 -0.36 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.71 3h2w s ARG 176 N -3.24 2.53 0.00 4.82 3.52 -1.26 -4.76 118.95 120.56 3h2w s ARG 176 Ca 0.25 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 3h2w s ARG 176 Cb -0.05 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 3h2w s ARG 176 CO 0.11 -0.12 0.00 -0.35 -0.81 0.00 0.00 175.30 174.13 3h2w n PRO 177 N 4.38 0.63 -2.25 5.12 -0.04 -1.26 -4.83 135.00 136.75 3h2w n PRO 177 Ca -0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 3h2w n PRO 177 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3h2w n PRO 177 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3h2w n MET 178 N -0.35 3.19 -0.31 0.54 2.81 -1.26 -4.87 117.12 116.87 3h2w n MET 178 Ca 0.00 -3.17 0.21 0.00 -1.81 0.00 0.00 57.70 52.94 3h2w n MET 178 Cb 0.00 -3.22 0.49 0.00 -0.71 0.00 0.00 33.22 29.78 3h2w n MET 178 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h2w h ARG 179 N 6.48 0.42 0.00 0.03 3.08 -1.95 -2.08 114.38 120.35 3h2w h ARG 179 Ca 0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3h2w h ARG 179 Cb 0.73 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3h2w h ARG 179 CO 1.63 0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 179.68 3h2w n SER 180 N -4.62 0.34 -0.31 7.04 3.41 -1.26 -2.58 113.62 115.64 3h2w n SER 180 Ca 0.24 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 3h2w n SER 180 Cb 0.82 -0.64 0.55 0.00 -0.26 0.00 0.00 64.21 64.68 3h2w n SER 180 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h2w n VAL 181 N -1.84 0.00 -4.27 -3.33 0.24 -0.78 -4.91 118.33 103.43 3h2w n VAL 181 Ca 0.05 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 3h2w n VAL 181 Cb 0.31 0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.84 3h2w n VAL 181 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3h2w s HIS 182 N -2.20 2.86 0.61 6.34 4.02 -1.06 -5.10 115.29 120.76 3h2w s HIS 182 Ca 0.34 -0.08 -0.19 0.00 1.02 0.00 0.00 55.06 56.15 3h2w s HIS 182 Cb 0.21 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.58 30.22 3h2w s HIS 182 CO 0.41 0.42 1.19 -2.13 1.02 0.00 0.00 174.74 175.65 3h2w n ARG 183 N 0.93 1.15 -3.42 1.40 0.63 -1.26 -4.98 116.66 111.11 3h2w n ARG 183 Ca -0.13 0.44 -0.36 0.00 -0.92 0.00 0.00 57.85 56.88 3h2w n ARG 183 Cb 0.52 -2.41 -0.06 0.00 0.45 0.00 0.00 32.46 30.97 3h2w n ARG 183 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h2w s ALA 184 N -1.41 3.63 0.41 5.13 0.00 -1.26 -4.09 121.76 124.17 3h2w s ALA 184 Ca 0.78 -0.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 3h2w s ALA 184 Cb -0.40 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.15 3h2w s ALA 184 CO 0.44 0.48 0.93 -1.25 0.00 0.00 0.00 175.76 176.36 3h2w s PRO 185 N -1.79 4.23 0.25 0.00 0.04 -1.26 -5.14 135.00 131.33 3h2w s PRO 185 Ca 0.35 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3h2w s PRO 185 Cb -0.15 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3h2w s PRO 185 CO 0.18 0.01 1.03 -1.01 0.04 0.00 0.00 177.00 177.25 3h2w s HIS 186 N -2.12 3.76 0.33 0.56 3.76 -1.26 -5.05 115.29 115.28 3h2w s HIS 186 Ca 0.60 1.79 0.07 0.00 -0.15 0.00 0.00 55.06 57.37 3h2w s HIS 186 Cb -0.10 -3.15 -0.01 0.00 1.11 0.00 0.00 32.58 30.43 3h2w s HIS 186 CO 0.14 -0.10 0.44 -0.51 -0.85 0.00 0.00 174.74 173.86 3h2w s LEU 187 N -1.16 3.90 0.15 0.89 1.43 -1.26 -5.06 118.68 117.57 3h2w s LEU 187 Ca 0.44 -0.25 -0.33 0.00 -1.03 0.00 0.00 54.13 52.96 3h2w s LEU 187 Cb -0.29 -2.65 -0.16 0.00 0.03 0.00 0.00 46.19 43.12 3h2w s LEU 187 CO 0.36 -0.42 1.08 -0.81 0.23 0.00 0.00 176.35 176.79 3h2w n PRO 188 N -1.59 0.87 -0.32 1.29 -0.04 -1.26 -4.52 135.00 129.43 3h2w n PRO 188 Ca -0.00 0.31 0.22 0.00 -0.04 0.00 0.00 63.50 63.98 3h2w n PRO 188 Cb 0.58 -1.75 0.43 0.00 -0.04 0.00 0.00 33.50 32.72 3h2w n PRO 188 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3h2w h PRO 189 N 3.06 0.18 -0.17 0.54 0.11 -1.86 0.01 132.00 133.87 3h2w h PRO 189 Ca -0.43 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 3h2w h PRO 189 Cb 1.37 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 3h2w h PRO 189 CO 0.68 0.12 -0.27 0.00 -0.21 0.00 0.00 178.00 178.32 3h2w h ALA 190 N 1.88 0.26 -0.30 -0.75 0.00 -1.89 -1.37 119.26 117.09 3h2w h ALA 190 Ca 0.70 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3h2w h ALA 190 Cb 1.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3h2w h ALA 190 CO -0.70 0.25 -0.10 -0.07 0.00 0.00 0.00 179.25 178.63 3h2w h LEU 191 N 0.11 0.48 -0.19 0.00 3.38 -1.36 -0.47 115.31 117.27 3h2w h LEU 191 Ca 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3h2w h LEU 191 Cb 0.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3h2w h LEU 191 CO 0.06 0.63 0.07 -0.08 0.09 0.00 0.00 178.44 179.20 3h2w h GLU 192 N 0.47 0.29 -0.03 1.13 4.81 -0.93 -0.85 114.58 119.46 3h2w h GLU 192 Ca 0.09 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3h2w h GLU 192 Cb 0.47 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3h2w h GLU 192 CO 0.03 0.38 0.00 0.28 -0.73 0.00 0.00 179.01 178.96 3h2w h VAL 193 N 0.14 1.23 -0.99 0.32 2.07 -1.08 -3.20 116.25 114.73 3h2w h VAL 193 Ca 0.06 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 67.01 3h2w h VAL 193 Cb 0.20 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3h2w h VAL 193 CO -0.00 0.18 0.63 0.00 0.02 0.00 0.00 177.57 178.40 3h2w h ALA 194 N 0.73 1.55 -0.75 1.67 0.00 -1.02 -2.74 119.26 118.70 3h2w h ALA 194 Ca 0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3h2w h ALA 194 Cb 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3h2w h ALA 194 CO 0.00 0.22 0.49 -0.09 0.00 0.00 0.00 179.25 179.87 3h2w h ARG 195 N 0.98 0.61 -0.78 0.00 2.43 -1.14 -1.43 114.38 115.04 3h2w h ARG 195 Ca 0.48 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.71 3h2w h ARG 195 Cb 0.47 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3h2w h ARG 195 CO -0.24 0.40 0.42 0.93 -1.51 0.00 0.00 179.97 179.97 3h2w h GLU 196 N 0.63 0.69 0.11 0.20 4.39 -1.63 0.31 114.58 119.27 3h2w h GLU 196 Ca 0.35 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.73 3h2w h GLU 196 Cb 0.51 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3h2w h GLU 196 CO -0.13 0.46 -1.19 1.49 -1.16 0.00 0.00 179.01 178.48 3h2w h GLU 197 N 0.71 0.40 -0.63 2.33 4.57 -1.44 -2.63 114.58 117.90 3h2w h GLU 197 Ca 0.38 -0.57 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3h2w h GLU 197 Cb 0.36 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 3h2w h GLU 197 CO -0.25 1.24 0.38 0.82 -1.18 0.00 0.00 179.01 180.02 3h2w h ILE 198 N 0.16 1.18 0.36 2.32 2.04 -0.83 -0.94 117.51 121.80 3h2w h ILE 198 Ca -0.14 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3h2w h ILE 198 Cb 1.88 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3h2w h ILE 198 CO 0.21 0.19 -0.31 0.00 0.00 0.00 0.00 178.15 178.23 3h2w h ALA 199 N 1.19 -0.70 -0.48 1.87 0.00 -0.42 -2.12 119.26 118.62 3h2w h ALA 199 Ca 0.23 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3h2w h ALA 199 Cb -0.03 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 3h2w h ALA 199 CO -0.04 -0.92 0.02 2.35 0.00 0.00 0.00 179.25 180.66 3h2w h TRP 200 N -0.69 0.01 -0.67 0.00 7.01 -1.32 -1.94 115.95 118.35 3h2w h TRP 200 Ca -0.03 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.08 3h2w h TRP 200 Cb 0.61 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 3h2w h TRP 200 CO -0.16 -0.08 0.44 -0.07 -2.79 0.00 0.00 178.44 175.77 3h2w h LEU 201 N 0.14 0.57 -1.49 0.65 3.38 -0.95 -1.10 115.31 116.52 3h2w h LEU 201 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3h2w h LEU 201 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3h2w h LEU 201 CO -0.38 0.37 0.24 -0.07 0.09 0.00 0.00 178.44 178.69 3h2w h LEU 202 N 0.65 0.52 0.00 1.67 3.38 -0.66 -1.00 115.31 119.87 3h2w h LEU 202 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3h2w h LEU 202 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h2w h LEU 202 CO -0.09 0.42 0.00 0.35 0.09 0.00 0.00 178.44 179.20 3h2w n THR 203 N -4.43 0.05 1.05 0.22 -2.24 -0.42 -2.84 114.28 105.68 3h2w n THR 203 Ca 0.03 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3h2w n THR 203 Cb 0.09 -0.61 0.13 0.00 -2.10 0.00 0.00 70.33 67.84 3h2w n THR 203 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3h2w n MET 204 N -1.07 0.38 -2.91 -0.78 2.81 -0.38 -4.81 117.12 110.36 3h2w n MET 204 Ca 0.17 -0.27 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 3h2w n MET 204 Cb 0.11 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 3h2w n MET 204 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3h2w s GLN 205 N -2.81 4.31 -0.18 0.03 0.74 -1.13 -1.93 119.66 118.68 3h2w s GLN 205 Ca 0.14 0.99 -0.29 0.00 0.05 0.00 0.00 55.36 56.25 3h2w s GLN 205 Cb 0.18 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.69 3h2w s GLN 205 CO 0.69 -0.29 1.54 0.34 -0.55 0.00 0.00 175.29 177.02 3h2w s ASP 206 N 1.13 6.56 0.42 6.67 2.15 0.17 -4.91 116.67 128.86 3h2w s ASP 206 Ca 0.38 1.73 0.09 0.00 0.43 0.00 0.00 52.55 55.18 3h2w s ASP 206 Cb -0.17 -2.53 0.92 0.00 -0.30 0.00 0.00 42.92 40.84 3h2w s ASP 206 CO 0.13 -1.09 2.05 -0.65 -0.17 0.00 0.00 175.17 175.44 3h2w h PRO 207 N 9.94 0.47 -0.45 4.34 0.11 -1.95 0.78 132.00 145.26 3h2w h PRO 207 Ca -0.33 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.82 3h2w h PRO 207 Cb 1.15 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 3h2w h PRO 207 CO 0.99 0.31 -0.45 0.00 -0.21 0.00 0.00 178.00 178.64 3h2w h ALA 208 N 1.75 -0.46 0.00 -0.75 0.00 -1.96 -3.35 119.26 114.49 3h2w h ALA 208 Ca 0.17 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3h2w h ALA 208 Cb 0.07 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h2w h ALA 208 CO -0.04 -0.88 -1.40 0.25 0.00 0.00 0.00 179.25 177.18 3h2w n THR 209 N -5.41 0.19 -0.18 0.00 -2.24 -1.15 -5.01 114.28 100.48 3h2w n THR 209 Ca -0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3h2w n THR 209 Cb 0.35 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3h2w n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h2w n GLY 210 N 2.27 1.64 3.69 3.38 0.00 0.26 -4.48 105.19 111.94 3h2w n GLY 210 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3h2w n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h2w s GLY 211 N -1.90 1.62 -0.05 -0.02 0.00 -1.26 -3.70 107.32 102.01 3h2w s GLY 211 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3h2w s GLY 211 CO 0.00 0.54 -0.14 0.14 0.00 0.00 0.00 173.10 173.64 3h2w s VAL 212 N -2.84 1.19 0.20 1.40 1.01 -1.26 -0.66 120.40 119.44 3h2w s VAL 212 Ca 0.64 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 3h2w s VAL 212 Cb -0.19 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 3h2w s VAL 212 CO 0.58 0.36 1.32 -0.31 0.00 0.00 0.00 175.10 177.04 3h2w s TYR 213 N 0.36 3.25 0.35 5.22 2.02 -0.81 -2.41 117.35 125.33 3h2w s TYR 213 Ca -0.09 1.20 0.02 0.00 -0.37 0.00 0.00 57.07 57.83 3h2w s TYR 213 Cb -0.13 -3.61 0.62 0.00 -0.40 0.00 0.00 41.96 38.44 3h2w s TYR 213 CO 0.03 -1.92 2.00 1.25 -1.57 0.00 0.00 175.55 175.34 3h2w h HIS 214 N 5.42 0.81 -2.40 2.71 2.76 -1.43 -3.42 115.15 119.60 3h2w h HIS 214 Ca -0.45 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 57.81 3h2w h HIS 214 Cb 1.21 -0.27 -0.15 0.00 1.55 0.00 0.00 27.41 29.75 3h2w h HIS 214 CO 0.62 0.52 0.43 -1.59 -1.30 0.00 0.00 177.93 176.60 3h2w s LYS 215 N -5.71 0.92 -0.18 5.26 -2.85 -1.26 -1.75 119.74 114.15 3h2w s LYS 215 Ca -0.10 -0.30 0.01 0.00 -1.00 0.00 0.00 55.97 54.58 3h2w s LYS 215 Cb 0.18 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.39 3h2w s LYS 215 CO 0.77 -0.39 -0.19 0.54 0.10 0.00 0.00 175.35 176.17 3h2w s VAL 216 N -3.11 2.05 0.14 1.79 0.11 -0.50 -1.70 120.40 119.17 3h2w s VAL 216 Ca 0.03 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.05 3h2w s VAL 216 Cb -0.01 -1.87 -0.02 0.00 -1.53 0.00 0.00 36.38 32.95 3h2w s VAL 216 CO -0.09 0.50 0.19 0.42 -3.33 0.00 0.00 175.10 172.79 3h2w s THR 217 N 1.29 0.09 0.95 5.04 -4.23 -0.26 -2.25 115.64 116.26 3h2w s THR 217 Ca 0.04 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 3h2w s THR 217 Cb -0.13 -1.85 0.16 0.00 1.34 0.00 0.00 72.50 72.02 3h2w s THR 217 CO -0.12 -0.41 1.09 0.42 -0.54 0.00 0.00 174.62 175.05 3h2w s THR 218 N -3.98 2.44 0.55 3.99 -4.23 -1.26 0.45 115.64 113.60 3h2w s THR 218 Ca 0.18 0.14 0.26 0.00 -1.18 0.00 0.00 61.69 61.09 3h2w s THR 218 Cb 0.05 -2.44 0.32 0.00 1.34 0.00 0.00 72.50 71.77 3h2w s THR 218 CO -0.01 -0.19 2.21 -0.65 -0.54 0.00 0.00 174.62 175.44 3h2w h PRO 219 N -1.82 0.00 -3.57 3.99 0.11 -1.88 -3.44 132.00 125.39 3h2w h PRO 219 Ca -0.50 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3h2w h PRO 219 Cb 1.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 3h2w h PRO 219 CO 0.51 0.02 -0.00 -1.54 -0.21 0.00 0.00 178.00 176.78 3h2w s SER 220 N -6.39 0.26 0.20 -2.05 1.04 -1.26 -0.70 113.70 104.80 3h2w s SER 220 Ca -0.05 -1.15 -0.30 0.00 0.48 0.00 0.00 55.95 54.93 3h2w s SER 220 Cb 0.15 0.70 -0.09 0.00 0.10 0.00 0.00 66.02 66.89 3h2w s SER 220 CO 0.58 -1.37 1.28 -0.36 0.98 0.00 0.00 173.24 174.36 3h2w s PHE 221 N -3.20 3.29 1.03 5.02 0.08 -1.26 -4.95 117.98 117.98 3h2w s PHE 221 Ca 0.22 1.28 -0.15 0.00 0.12 0.00 0.00 56.93 58.40 3h2w s PHE 221 Cb -0.02 -3.56 0.20 0.00 -0.57 0.00 0.00 43.02 39.07 3h2w s PHE 221 CO 0.13 -1.71 1.16 -1.25 -0.10 0.00 0.00 175.22 173.46 3h2w s PRO 222 N -0.20 0.19 0.61 0.24 0.04 -1.26 -5.00 135.00 129.61 3h2w s PRO 222 Ca 0.55 0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.46 3h2w s PRO 222 Cb -0.36 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3h2w s PRO 222 CO 0.38 -2.80 1.31 -2.14 0.04 0.00 0.00 177.00 173.79 3h2w s PRO 223 N -5.40 2.78 0.47 0.56 0.02 -1.26 -4.87 135.00 127.29 3h2w s PRO 223 Ca 0.68 2.10 0.32 0.00 0.02 0.00 0.00 61.00 64.12 3h2w s PRO 223 Cb -0.11 -1.98 1.43 0.00 0.02 0.00 0.00 34.50 33.86 3h2w s PRO 223 CO 0.55 -1.43 1.67 -0.07 -0.33 0.00 0.00 177.00 177.39 3h2w h LEU 224 N 0.86 0.20 -4.78 -5.54 3.38 -1.96 -2.00 115.31 105.48 3h2w h LEU 224 Ca -0.51 0.08 -0.59 0.00 0.09 0.00 0.00 57.88 56.96 3h2w h LEU 224 Cb 1.32 0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.94 3h2w h LEU 224 CO 0.55 -0.07 0.73 -0.67 0.09 0.00 0.00 178.44 179.06 3h2w n ASP 225 N -4.48 6.85 -4.21 -0.43 2.03 -1.26 -4.26 116.55 110.80 3h2w n ASP 225 Ca 0.34 -3.34 -0.33 0.00 0.52 0.00 0.00 54.79 51.98 3h2w n ASP 225 Cb 1.38 -1.21 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 3h2w n ASP 225 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3h2w s THR 226 N -2.79 2.30 0.55 5.18 2.01 -0.76 -4.88 115.64 117.25 3h2w s THR 226 Ca 0.57 -0.89 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 3h2w s THR 226 Cb 0.37 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 3h2w s THR 226 CO -0.25 0.53 1.19 -0.13 -0.69 0.00 0.00 174.62 175.27 3h2w s ARG 227 N 0.84 3.27 0.21 4.92 0.52 -1.26 -4.43 118.95 123.03 3h2w s ARG 227 Ca -0.06 1.78 -0.08 0.00 -0.52 0.00 0.00 55.73 56.85 3h2w s ARG 227 Cb -0.15 -2.08 0.29 0.00 0.52 0.00 0.00 34.95 33.53 3h2w s ARG 227 CO -0.02 -0.95 1.77 -1.00 0.02 0.00 0.00 175.30 175.12 3h2w h PRO 228 N 1.27 0.53 0.00 3.54 0.13 -1.95 -2.40 132.00 133.12 3h2w h PRO 228 Ca -0.50 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 3h2w h PRO 228 Cb 1.28 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3h2w h PRO 228 CO 0.57 0.35 -0.19 1.05 -0.23 0.00 0.00 178.00 179.54 3h2w h GLU 229 N 0.55 0.00 0.00 0.86 9.09 -1.84 -3.03 114.58 120.21 3h2w h GLU 229 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 3h2w h GLU 229 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3h2w h GLU 229 CO -0.26 0.19 -0.05 -0.44 0.05 0.00 0.00 179.01 178.51 3h2w h ASP 230 N 0.00 0.00 -1.45 3.06 3.32 -1.82 -3.45 116.42 116.07 3h2w h ASP 230 Ca -0.00 -0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.62 3h2w h ASP 230 Cb 0.78 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 3h2w h ASP 230 CO 0.03 0.01 1.10 -0.62 -1.72 0.00 0.00 179.24 178.03 3h2w s ASP 231 N -4.85 5.25 0.13 6.45 2.15 -1.11 -4.82 116.67 119.88 3h2w s ASP 231 Ca 0.10 -0.12 0.24 0.00 0.43 0.00 0.00 52.55 53.20 3h2w s ASP 231 Cb 0.11 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.59 3h2w s ASP 231 CO 0.62 -2.51 1.38 0.47 -0.17 0.00 0.00 175.17 174.97 3h2w n ASP 232 N 13.14 0.72 -4.77 -0.34 8.00 -1.26 -4.70 116.55 127.34 3h2w n ASP 232 Ca 0.28 0.19 -0.41 0.00 0.71 0.00 0.00 54.79 55.57 3h2w n ASP 232 Cb 0.50 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 3h2w n ASP 232 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h2w s ALA 233 N -3.16 3.48 0.70 2.24 0.00 -1.26 -4.94 121.76 118.82 3h2w s ALA 233 Ca 0.07 1.43 -0.16 0.00 0.00 0.00 0.00 51.96 53.29 3h2w s ALA 233 Cb 0.13 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3h2w s ALA 233 CO 0.70 -0.91 0.94 -0.35 0.00 0.00 0.00 175.76 176.14 3h2w n PRO 234 N 0.46 0.57 -4.04 0.00 -0.04 -1.26 -4.85 135.00 125.85 3h2w n PRO 234 Ca 0.01 0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 63.37 3h2w n PRO 234 Cb 0.41 -2.19 -0.09 0.00 -0.04 0.00 0.00 33.50 31.58 3h2w n PRO 234 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h2w s LEU 235 N -2.76 3.83 -0.04 1.53 1.43 -1.26 -4.06 118.68 117.35 3h2w s LEU 235 Ca 0.74 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 3h2w s LEU 235 Cb -0.36 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 3h2w s LEU 235 CO 0.50 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 176.40 3h2w s VAL 236 N 0.14 1.65 -0.35 -1.59 1.01 0.17 -1.32 120.40 120.11 3h2w s VAL 236 Ca 0.05 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 3h2w s VAL 236 Cb -0.12 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3h2w s VAL 236 CO 0.01 0.47 0.52 -0.76 0.00 0.00 0.00 175.10 175.34 3h2w s LEU 237 N -0.15 4.34 0.51 3.92 1.43 -0.28 -1.11 118.68 127.35 3h2w s LEU 237 Ca -0.01 -0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 3h2w s LEU 237 Cb -0.11 -2.60 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 3h2w s LEU 237 CO 0.02 -0.48 1.02 -0.44 0.23 0.00 0.00 176.35 176.69 3h2w s SER 238 N 1.76 6.36 0.96 2.29 0.01 -0.69 -1.48 113.70 122.91 3h2w s SER 238 Ca 0.19 1.77 -0.12 0.00 1.31 0.00 0.00 55.95 59.09 3h2w s SER 238 Cb -0.15 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.62 3h2w s SER 238 CO 0.13 -0.77 0.61 -2.65 0.41 0.00 0.00 173.24 170.98 3h2w n PRO 239 N -1.36 -0.53 -1.53 12.44 -0.02 -1.26 -3.22 135.00 139.52 3h2w n PRO 239 Ca 0.08 -0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 3h2w n PRO 239 Cb 0.53 -2.01 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3h2w n PRO 239 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3h2w n ILE 240 N -3.91 2.27 -4.00 4.25 5.41 -1.26 -2.31 119.36 119.81 3h2w n ILE 240 Ca 0.08 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.23 3h2w n ILE 240 Cb 0.54 -0.85 -0.11 0.00 -0.71 0.00 0.00 39.64 38.51 3h2w n ILE 240 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3h2w s SER 241 N -0.92 0.39 0.14 4.38 1.04 -1.01 -4.79 113.70 112.94 3h2w s SER 241 Ca 0.65 -0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 3h2w s SER 241 Cb -0.55 0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.66 3h2w s SER 241 CO 0.56 -0.27 1.71 0.22 0.98 0.00 0.00 173.24 176.45 3h2w h TYR 242 N 4.64 0.65 -0.51 5.02 3.20 -1.88 -1.06 116.97 127.02 3h2w h TYR 242 Ca -0.33 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 3h2w h TYR 242 Cb 1.21 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3h2w h TYR 242 CO 0.65 0.54 0.31 0.00 -1.64 0.00 0.00 178.16 178.02 3h2w h ALA 243 N 1.05 0.66 0.14 1.82 0.00 -1.95 0.24 119.26 121.21 3h2w h ALA 243 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h2w h ALA 243 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h2w h ALA 243 CO -0.02 0.14 -0.14 0.00 0.00 0.00 0.00 179.25 179.24 3h2w h ALA 244 N 1.15 -0.27 -0.11 0.00 0.00 -1.84 -1.63 119.26 116.56 3h2w h ALA 244 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h2w h ALA 244 Cb -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h2w h ALA 244 CO -0.03 -0.67 0.07 1.15 0.00 0.00 0.00 179.25 179.76 3h2w h THR 245 N -0.31 1.03 0.22 0.00 2.02 -0.92 -0.11 112.91 114.85 3h2w h THR 245 Ca 0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3h2w h THR 245 Cb 0.29 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3h2w h THR 245 CO -0.04 0.03 -0.10 0.00 0.37 0.00 0.00 175.52 175.78 3h2w h ALA 246 N 1.04 -0.29 -0.42 6.16 0.00 -0.93 -0.38 119.26 124.44 3h2w h ALA 246 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3h2w h ALA 246 Cb -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h2w h ALA 246 CO -0.01 -0.65 -0.03 1.79 0.00 0.00 0.00 179.25 180.36 3h2w h THR 247 N -0.32 1.23 -0.15 0.00 1.35 -1.24 -0.99 112.91 112.78 3h2w h THR 247 Ca -0.03 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3h2w h THR 247 Cb 0.25 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3h2w h THR 247 CO 0.05 0.34 0.09 0.15 -0.25 0.00 0.00 175.52 175.89 3h2w h PHE 248 N 0.64 0.21 -0.59 4.73 3.04 -0.86 -1.60 116.94 122.52 3h2w h PHE 248 Ca 0.13 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.15 3h2w h PHE 248 Cb 0.44 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.82 3h2w h PHE 248 CO 0.02 0.20 0.26 0.00 -2.02 0.00 0.00 178.31 176.78 3h2w h ALA 250 N 1.37 0.56 -0.10 0.00 0.00 -0.83 -1.94 119.26 118.33 3h2w h ALA 250 Ca 0.28 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 3h2w h ALA 250 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h2w h ALA 250 CO -0.24 0.15 -0.70 0.00 0.00 0.00 0.00 179.25 178.46 3h2w h ALA 251 N 1.04 0.60 -0.40 0.00 0.00 -0.89 -2.72 119.26 116.89 3h2w h ALA 251 Ca 0.15 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3h2w h ALA 251 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h2w h ALA 251 CO -0.02 0.74 -0.18 0.52 0.00 0.00 0.00 179.25 180.31 3h2w h MET 252 N 0.33 0.83 -0.93 0.00 2.07 -1.15 0.18 114.93 116.27 3h2w h MET 252 Ca -0.02 -0.36 0.02 0.00 -2.07 0.00 0.00 59.70 57.26 3h2w h MET 252 Cb 1.27 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.92 3h2w h MET 252 CO 0.12 0.99 0.61 0.00 1.07 0.00 0.00 176.91 179.71 3h2w h ALA 253 N 0.82 1.36 -0.11 6.32 0.00 -1.32 0.53 119.26 126.85 3h2w h ALA 253 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3h2w h ALA 253 Cb 0.74 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h2w h ALA 253 CO 0.06 0.58 -0.17 1.25 0.00 0.00 0.00 179.25 180.97 3h2w h HIS 254 N 1.23 0.39 -0.86 0.00 6.17 -1.38 -2.86 115.15 117.84 3h2w h HIS 254 Ca 0.35 -0.13 0.07 0.00 0.71 0.00 0.00 60.37 61.36 3h2w h HIS 254 Cb -0.11 -0.08 -0.06 0.00 2.52 0.00 0.00 27.41 29.68 3h2w h HIS 254 CO -0.00 0.78 0.53 0.00 0.71 0.00 0.00 177.93 179.95 3h2w h ALA 255 N 0.55 1.19 -0.56 5.26 0.00 -0.33 -1.40 119.26 123.96 3h2w h ALA 255 Ca 0.01 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3h2w h ALA 255 Cb 0.74 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3h2w h ALA 255 CO 0.04 0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.74 3h2w h ALA 256 N 1.42 0.71 0.33 0.00 0.00 0.14 -1.17 119.26 120.69 3h2w h ALA 256 Ca 0.38 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3h2w h ALA 256 Cb 0.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h2w h ALA 256 CO -0.19 -0.22 -0.16 -0.07 0.00 0.00 0.00 179.25 178.62 3h2w h LEU 257 N 0.37 -0.38 -0.82 0.00 3.38 -1.12 -3.03 115.31 113.71 3h2w h LEU 257 Ca 0.28 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3h2w h LEU 257 Cb 0.34 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3h2w h LEU 257 CO -0.30 -0.07 -0.10 0.58 0.09 0.00 0.00 178.44 178.65 3h2w h VAL 258 N -0.71 1.26 0.00 1.22 2.07 -1.12 -3.14 116.25 115.83 3h2w h VAL 258 Ca -0.05 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3h2w h VAL 258 Cb 0.49 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3h2w h VAL 258 CO 0.08 0.40 -0.36 -1.22 0.02 0.00 0.00 177.57 176.48 3h2w n TYR 259 N -4.17 0.49 -0.29 1.57 4.01 -0.46 -4.36 117.16 113.95 3h2w n TYR 259 Ca 0.01 0.14 0.07 0.00 -0.16 0.00 0.00 57.90 57.96 3h2w n TYR 259 Cb 0.36 -0.64 0.17 0.00 -0.31 0.00 0.00 39.34 38.92 3h2w n TYR 259 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3h2w h ARG 260 N 0.00 0.04 0.00 -0.72 2.43 -1.47 0.44 114.38 115.10 3h2w h ARG 260 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h2w h ARG 260 Cb 0.67 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3h2w h ARG 260 CO 0.00 0.03 0.00 -0.35 -1.51 0.00 0.00 179.97 178.14 3h2w n PRO 261 N -5.46 0.74 0.00 0.20 -0.05 -1.26 -3.84 135.00 125.34 3h2w n PRO 261 Ca 0.15 0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.61 3h2w n PRO 261 Cb 0.52 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 3h2w n PRO 261 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3h2w n PHE 262 N -1.06 0.00 -3.19 0.54 3.72 0.13 -4.92 117.46 112.68 3h2w n PHE 262 Ca 0.19 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.41 3h2w n PHE 262 Cb 0.12 0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 3h2w n PHE 262 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3h2w s ASP 263 N -3.95 0.44 0.46 4.37 -1.08 0.36 -5.02 116.67 112.24 3h2w s ASP 263 Ca 0.00 -2.33 0.16 0.00 -0.52 0.00 0.00 52.55 49.87 3h2w s ASP 263 Cb 0.00 0.52 1.07 0.00 -1.46 0.00 0.00 42.92 43.05 3h2w s ASP 263 CO 0.00 -0.15 2.00 -0.65 0.52 0.00 0.00 175.17 176.89 3h2w h PRO 264 N 5.74 0.00 -0.18 4.34 0.11 -1.70 -0.98 132.00 139.33 3h2w h PRO 264 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3h2w h PRO 264 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3h2w h PRO 264 CO 0.22 0.18 0.07 0.00 -0.21 0.00 0.00 178.00 178.25 3h2w h ALA 265 N 1.82 0.23 -0.16 -0.75 0.00 -1.93 -1.60 119.26 116.89 3h2w h ALA 265 Ca -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h2w h ALA 265 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h2w h ALA 265 CO 0.02 -0.16 0.06 1.25 0.00 0.00 0.00 179.25 180.42 3h2w h LEU 266 N 0.13 0.08 -0.03 0.00 5.85 -1.86 -2.65 115.31 116.83 3h2w h LEU 266 Ca 0.06 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3h2w h LEU 266 Cb 0.19 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3h2w h LEU 266 CO -0.00 0.07 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.84 3h2w h SER 267 N 0.14 -0.14 -0.41 1.25 0.87 -1.05 0.30 113.55 114.51 3h2w h SER 267 Ca 0.07 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3h2w h SER 267 Cb 0.03 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3h2w h SER 267 CO -0.06 -0.07 0.27 -1.28 -0.53 0.00 0.00 176.83 175.17 3h2w h SER 268 N -0.06 0.48 -0.54 6.23 0.87 -1.32 -0.28 113.55 118.93 3h2w h SER 268 Ca 0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3h2w h SER 268 Cb 0.11 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3h2w h SER 268 CO -0.07 0.35 0.30 0.00 -0.53 0.00 0.00 176.83 176.87 3h2w h ALA 271 N 0.95 0.50 0.00 0.00 0.00 -0.85 0.32 119.26 120.19 3h2w h ALA 271 Ca -0.00 0.30 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 3h2w h ALA 271 Cb 0.03 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3h2w h ALA 271 CO 0.00 -0.41 -0.79 -0.44 0.00 0.00 0.00 179.25 177.62 3h2w h ASP 272 N 0.00 0.00 -0.50 0.00 3.32 -1.14 -2.58 116.42 115.53 3h2w h ASP 272 Ca 0.37 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.45 3h2w h ASP 272 Cb 0.56 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3h2w h ASP 272 CO -0.78 0.79 0.27 0.00 -1.72 0.00 0.00 179.24 177.79 3h2w h ALA 273 N 1.21 0.64 -0.35 3.45 0.00 -0.05 -2.04 119.26 122.12 3h2w h ALA 273 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h2w h ALA 273 Cb 1.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3h2w h ALA 273 CO 0.10 -0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.50 3h2w h ALA 274 N 1.25 0.43 -0.72 0.00 0.00 -0.18 -2.30 119.26 117.74 3h2w h ALA 274 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3h2w h ALA 274 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h2w h ALA 274 CO -0.13 -0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.33 3h2w h ARG 275 N 0.43 1.04 -0.57 0.00 3.08 -1.30 -1.65 114.38 115.40 3h2w h ARG 275 Ca 0.13 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3h2w h ARG 275 Cb -0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3h2w h ARG 275 CO -0.05 0.81 -0.02 0.00 -1.07 0.00 0.00 179.97 179.64 3h2w h ARG 276 N 1.01 1.00 -0.25 0.04 3.08 -1.24 -1.30 114.38 116.72 3h2w h ARG 276 Ca 0.25 -0.32 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3h2w h ARG 276 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3h2w h ARG 276 CO -0.03 0.99 0.07 0.00 -1.07 0.00 0.00 179.97 179.94 3h2w h ALA 277 N 1.05 0.28 -0.23 0.04 0.00 -1.14 -1.57 119.26 117.68 3h2w h ALA 277 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h2w h ALA 277 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h2w h ALA 277 CO 0.03 -0.34 0.12 -0.92 0.00 0.00 0.00 179.25 178.14 3h2w h TYR 278 N 0.18 0.30 -0.13 0.00 3.20 -1.10 0.14 116.97 119.56 3h2w h TYR 278 Ca 0.11 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3h2w h TYR 278 Cb 0.09 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3h2w h TYR 278 CO -0.14 0.22 -0.06 0.00 -1.64 0.00 0.00 178.16 176.54 3h2w h ALA 279 N 1.82 0.06 -0.19 1.82 0.00 -0.77 -2.44 119.26 119.55 3h2w h ALA 279 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3h2w h ALA 279 Cb 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3h2w h ALA 279 CO -0.01 -0.51 -0.03 2.35 0.00 0.00 0.00 179.25 181.04 3h2w h TRP 280 N -0.04 -0.07 -0.87 0.00 7.01 -0.11 -2.65 115.95 119.21 3h2w h TRP 280 Ca 0.07 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.18 3h2w h TRP 280 Cb 0.15 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.22 3h2w h TRP 280 CO -0.19 -0.07 0.56 -0.07 -2.79 0.00 0.00 178.44 175.88 3h2w h LEU 281 N 0.02 0.79 -0.77 0.65 3.38 -0.50 -1.78 115.31 117.10 3h2w h LEU 281 Ca 0.09 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3h2w h LEU 281 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3h2w h LEU 281 CO -0.19 0.48 -0.31 1.23 0.09 0.00 0.00 178.44 179.75 3h2w h GLY 282 N 0.88 0.63 -0.67 0.83 0.00 -1.10 -3.04 103.07 100.60 3h2w h GLY 282 Ca 0.40 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3h2w h GLY 282 CO -0.16 0.52 0.00 0.00 0.00 0.00 0.00 176.54 176.89 3h2w n ALA 283 N -2.50 2.51 -2.25 3.60 0.00 -0.69 -4.93 120.51 116.26 3h2w n ALA 283 Ca -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 3h2w n ALA 283 Cb 0.46 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 3h2w n ALA 283 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h2w s HIS 284 N -1.77 0.44 0.21 0.00 3.76 -1.12 -5.09 115.29 111.73 3h2w s HIS 284 Ca 0.27 -0.94 -0.16 0.00 -0.15 0.00 0.00 55.06 54.08 3h2w s HIS 284 Cb 0.14 -0.32 -0.08 0.00 1.11 0.00 0.00 32.58 33.43 3h2w s HIS 284 CO 0.21 -0.38 0.64 -1.21 -0.85 0.00 0.00 174.74 173.16 3h2w s GLU 285 N -3.61 4.06 -1.11 1.40 2.02 -1.26 -4.90 118.70 115.31 3h2w s GLU 285 Ca 0.04 0.64 -0.22 0.00 0.02 0.00 0.00 54.97 55.44 3h2w s GLU 285 Cb 0.05 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 3h2w s GLU 285 CO -0.09 0.38 1.84 -1.64 0.02 0.00 0.00 175.26 175.77 3h2w s MET 286 N -2.22 2.93 -0.37 1.61 -1.94 -1.26 -4.83 119.30 113.22 3h2w s MET 286 Ca 0.43 -1.07 -0.09 0.00 -1.71 0.00 0.00 55.69 53.25 3h2w s MET 286 Cb -0.14 -5.26 0.04 0.00 2.01 0.00 0.00 34.83 31.47 3h2w s MET 286 CO 0.20 -3.27 0.18 -1.14 -0.01 0.00 0.00 175.02 170.98 3h2w s GLN 287 N 6.02 2.71 0.46 2.03 2.00 -1.26 -4.97 119.66 126.64 3h2w s GLN 287 Ca 0.63 -1.19 -0.23 0.00 -2.00 0.00 0.00 55.36 52.58 3h2w s GLN 287 Cb -0.01 -3.65 -0.10 0.00 0.80 0.00 0.00 33.01 30.04 3h2w s GLN 287 CO 0.05 -0.74 0.90 -2.30 -0.50 0.00 0.00 175.29 172.70 3h2w n PRO 288 N 4.92 1.10 -2.93 1.67 -0.02 -1.26 -4.30 135.00 134.18 3h2w n PRO 288 Ca -0.12 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.37 3h2w n PRO 288 Cb 0.45 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3h2w n PRO 288 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h2w s PHE 289 N -1.37 3.87 0.02 6.00 5.36 -1.26 -5.03 117.98 125.57 3h2w s PHE 289 Ca 0.65 1.65 0.03 0.00 -0.96 0.00 0.00 56.93 58.30 3h2w s PHE 289 Cb -0.53 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.30 3h2w s PHE 289 CO 0.55 0.43 -0.09 -1.01 -1.46 0.00 0.00 175.22 173.64 3h2w s HIS 290 N -0.81 0.83 0.21 10.12 3.76 -1.26 -4.66 115.29 123.48 3h2w s HIS 290 Ca 0.38 -0.28 -0.32 0.00 -0.15 0.00 0.00 55.06 54.69 3h2w s HIS 290 Cb -0.23 -0.51 -0.11 0.00 1.11 0.00 0.00 32.58 32.84 3h2w s HIS 290 CO 0.27 -0.01 1.67 -0.80 -0.85 0.00 0.00 174.74 175.02 3h2w s ASN 291 N -0.78 6.43 0.71 1.40 0.01 -1.26 -4.98 114.94 116.46 3h2w s ASN 291 Ca -0.00 2.82 -0.11 0.00 -0.71 0.00 0.00 52.86 54.86 3h2w s ASN 291 Cb -0.06 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.01 3h2w s ASN 291 CO 0.00 -0.93 1.07 -2.16 -1.51 0.00 0.00 177.10 173.57 3h2w s PRO 292 N 0.99 2.83 0.31 -0.60 0.04 -1.26 -4.93 135.00 132.38 3h2w s PRO 292 Ca 0.72 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 3h2w s PRO 292 Cb -0.48 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 3h2w s PRO 292 CO 0.33 -1.15 1.59 -0.25 0.04 0.00 0.00 177.00 177.56 3h2w n ASP 293 N -3.15 3.90 0.00 6.66 8.00 -1.26 -1.57 116.55 129.13 3h2w n ASP 293 Ca 0.07 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.74 3h2w n ASP 293 Cb 0.54 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3h2w n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2w n GLY 294 N 1.83 2.60 3.67 0.44 0.00 -1.26 -5.04 105.19 107.42 3h2w n GLY 294 Ca 0.07 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3h2w n GLY 294 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2w s ILE 295 N -2.19 5.07 -0.06 -0.61 -1.09 -0.60 -4.70 121.20 117.02 3h2w s ILE 295 Ca 0.00 1.08 0.09 0.00 -2.23 0.00 0.00 60.65 59.58 3h2w s ILE 295 Cb 0.00 -3.89 0.13 0.00 -1.58 0.00 0.00 42.46 37.12 3h2w s ILE 295 CO 0.00 0.16 1.02 0.18 -1.23 0.00 0.00 174.94 175.07 3h2w n LEU 296 N 4.81 1.72 -4.95 2.97 4.77 0.12 -4.63 117.00 121.81 3h2w n LEU 296 Ca -0.03 -2.19 -0.24 0.00 -0.03 0.00 0.00 56.01 53.52 3h2w n LEU 296 Cb 0.50 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3h2w n LEU 296 CO 0.43 0.52 0.51 0.42 -1.33 0.00 0.00 177.39 177.94 3h2w s THR 297 N -1.65 2.44 0.14 -5.08 -4.23 -1.26 -4.74 115.64 101.26 3h2w s THR 297 Ca 0.15 -0.45 -0.34 0.00 -1.18 0.00 0.00 61.69 59.87 3h2w s THR 297 Cb 0.13 -2.99 -0.17 0.00 1.34 0.00 0.00 72.50 70.82 3h2w s THR 297 CO 0.01 0.00 1.06 0.61 -0.54 0.00 0.00 174.62 175.76 3h2w n GLY 298 N -2.67 -0.25 0.14 3.99 0.00 -1.26 -4.88 105.19 100.26 3h2w n GLY 298 Ca 0.08 0.55 -0.24 0.00 0.00 0.00 0.00 46.02 46.42 3h2w n GLY 298 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h2w h GLU 299 N 2.99 0.50 -6.45 1.61 4.81 -1.99 -3.49 114.58 112.56 3h2w h GLU 299 Ca -0.43 -0.85 -0.41 0.00 -0.13 0.00 0.00 59.36 57.55 3h2w h GLU 299 Cb 1.37 0.32 0.01 0.00 0.63 0.00 0.00 28.75 31.08 3h2w h GLU 299 CO 0.67 1.40 -0.87 0.66 -0.73 0.00 0.00 179.01 180.15 3h2w n TYR 300 N -3.68 -2.09 -2.87 0.92 4.01 -1.26 -4.90 117.16 107.29 3h2w n TYR 300 Ca -0.17 0.71 -0.19 0.00 -0.16 0.00 0.00 57.90 58.10 3h2w n TYR 300 Cb 1.10 -3.11 0.03 0.00 -0.31 0.00 0.00 39.34 37.05 3h2w n TYR 300 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3h2w s GLY 301 N -3.15 1.86 -0.30 2.72 0.00 -1.26 -4.91 107.32 102.28 3h2w s GLY 301 Ca 0.15 -1.66 -0.16 0.00 0.00 0.00 0.00 44.72 43.05 3h2w s GLY 301 CO 0.88 -1.37 1.05 -0.35 0.00 0.00 0.00 173.10 173.30 3h2w s ASP 302 N -4.46 -0.46 0.17 1.64 2.15 -1.26 -4.97 116.67 109.47 3h2w s ASP 302 Ca 0.58 0.65 -0.07 0.00 0.43 0.00 0.00 52.55 54.13 3h2w s ASP 302 Cb -0.09 1.47 0.03 0.00 -0.30 0.00 0.00 42.92 44.03 3h2w s ASP 302 CO 0.36 -0.09 1.49 0.00 -0.17 0.00 0.00 175.17 176.76 3h2w h ALA 303 N 7.09 0.63 -2.55 3.66 0.00 -1.98 -3.41 119.26 122.70 3h2w h ALA 303 Ca -0.18 -0.48 -0.66 0.00 0.00 0.00 0.00 54.91 53.59 3h2w h ALA 303 Cb 1.13 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 3h2w h ALA 303 CO 0.10 0.68 -0.24 -2.00 0.00 0.00 0.00 179.25 177.79 3h2w s GLU 304 N -4.21 3.51 0.00 0.00 2.56 -1.26 -4.81 118.70 114.49 3h2w s GLU 304 Ca -0.09 -0.42 0.09 0.00 0.00 0.00 0.00 54.97 54.54 3h2w s GLU 304 Cb 0.11 -3.83 0.20 0.00 2.00 0.00 0.00 34.13 32.62 3h2w s GLU 304 CO 0.86 -0.58 1.10 1.28 -0.56 0.00 0.00 175.26 177.36 3h2w n LEU 305 N 5.46 2.49 0.07 2.70 4.77 -1.26 -4.60 117.00 126.64 3h2w n LEU 305 Ca -0.08 -1.72 -0.11 0.00 -0.03 0.00 0.00 56.01 54.06 3h2w n LEU 305 Cb 0.49 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3h2w n LEU 305 CO 0.42 0.60 0.02 0.03 -1.33 0.00 0.00 177.39 177.12 3h2w h ARG 306 N 1.72 0.12 -0.10 3.23 3.08 -1.98 -2.99 114.38 117.46 3h2w h ARG 306 Ca 0.00 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 3h2w h ARG 306 Cb 0.61 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3h2w h ARG 306 CO 0.00 1.08 -0.22 0.38 -1.07 0.00 0.00 179.97 180.14 3h2w h ASP 307 N 0.03 0.16 -0.26 7.04 2.03 -1.94 0.26 116.42 123.75 3h2w h ASP 307 Ca -0.08 -0.04 -0.08 0.00 -0.73 0.00 0.00 57.03 56.10 3h2w h ASP 307 Cb 1.87 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 40.32 3h2w h ASP 307 CO 0.16 0.39 -0.16 -0.33 -1.03 0.00 0.00 179.24 178.27 3h2w h GLU 308 N 0.15 0.56 -0.70 4.15 3.07 -1.85 -1.95 114.58 118.02 3h2w h GLU 308 Ca 0.03 -0.26 0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3h2w h GLU 308 Cb 0.48 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 3h2w h GLU 308 CO 0.03 0.83 0.46 1.25 -1.40 0.00 0.00 179.01 180.18 3h2w h LEU 309 N 0.29 0.78 -0.47 1.33 5.85 -1.30 -1.28 115.31 120.51 3h2w h LEU 309 Ca 0.05 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3h2w h LEU 309 Cb 0.68 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 3h2w h LEU 309 CO 0.04 0.56 -0.30 0.25 -0.34 0.00 0.00 178.44 178.66 3h2w h LEU 310 N 0.92 -1.00 -0.39 2.25 6.46 -0.83 -0.76 115.31 121.96 3h2w h LEU 310 Ca 0.26 0.20 -0.18 0.00 -0.12 0.00 0.00 57.88 58.04 3h2w h LEU 310 Cb -0.07 0.50 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3h2w h LEU 310 CO -0.07 -0.30 -0.63 -0.25 -0.62 0.00 0.00 178.44 176.58 3h2w h TRP 311 N -0.19 0.81 -0.08 1.25 7.01 -0.80 0.84 115.95 124.79 3h2w h TRP 311 Ca 0.20 -0.31 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 3h2w h TRP 311 Cb 0.52 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 3h2w h TRP 311 CO -0.55 1.09 0.04 0.00 -2.79 0.00 0.00 178.44 176.23 3h2w h ALA 312 N 0.84 0.10 -0.10 2.65 0.00 -1.12 -0.74 119.26 120.88 3h2w h ALA 312 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h2w h ALA 312 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3h2w h ALA 312 CO 0.12 -0.34 0.00 0.77 0.00 0.00 0.00 179.25 179.80 3h2w h SER 313 N 0.00 -0.03 -0.02 0.00 0.02 -0.90 -1.19 113.55 111.43 3h2w h SER 313 Ca 0.03 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3h2w h SER 313 Cb 0.12 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3h2w h SER 313 CO -0.00 0.00 -0.19 0.00 -1.14 0.00 0.00 176.83 175.50 3h2w h ALA 315 N 1.46 0.62 -0.12 0.00 0.00 -0.77 -0.91 119.26 119.54 3h2w h ALA 315 Ca 0.06 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3h2w h ALA 315 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h2w h ALA 315 CO 0.04 0.68 -0.55 -0.07 0.00 0.00 0.00 179.25 179.35 3h2w h LEU 316 N 0.60 0.39 0.00 0.00 3.38 -0.60 0.26 115.31 119.35 3h2w h LEU 316 Ca 0.03 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3h2w h LEU 316 Cb 1.04 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 3h2w h LEU 316 CO 0.10 0.86 -0.29 0.25 0.09 0.00 0.00 178.44 179.46 3h2w h LEU 317 N 0.27 -0.85 -0.74 1.67 5.85 -0.48 -0.96 115.31 120.07 3h2w h LEU 317 Ca 0.00 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3h2w h LEU 317 Cb 1.04 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3h2w h LEU 317 CO 0.09 -0.35 -0.49 -0.09 -0.34 0.00 0.00 178.44 177.26 3h2w h ARG 318 N -0.43 0.00 -0.04 1.25 2.43 -0.77 0.39 114.38 117.21 3h2w h ARG 318 Ca 0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3h2w h ARG 318 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3h2w h ARG 318 CO -0.24 0.49 -0.02 1.98 -1.51 0.00 0.00 179.97 180.66 3h2w h MET 319 N 0.00 0.08 0.00 0.20 4.05 -0.23 -3.36 114.93 115.67 3h2w h MET 319 Ca -0.00 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3h2w h MET 319 Cb 1.05 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 3h2w h MET 319 CO 0.06 0.49 -0.00 1.79 0.23 0.00 0.00 176.91 179.47 3h2w h THR 320 N -0.33 1.77 0.00 -0.77 1.35 -1.07 -3.48 112.91 110.38 3h2w h THR 320 Ca 0.01 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 3h2w h THR 320 Cb 0.46 3.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3h2w h THR 320 CO 0.01 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 3h2w n GLY 321 N 1.50 0.81 3.59 5.82 0.00 0.12 -5.05 105.19 111.98 3h2w n GLY 321 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3h2w n GLY 321 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2w s ASP 322 N -2.15 6.45 0.60 1.61 2.15 -1.26 -4.78 116.67 119.29 3h2w s ASP 322 Ca 0.00 0.34 0.30 0.00 0.43 0.00 0.00 52.55 53.62 3h2w s ASP 322 Cb 0.00 -2.32 1.73 0.00 -0.30 0.00 0.00 42.92 42.04 3h2w s ASP 322 CO 0.00 -0.47 2.13 0.77 -0.17 0.00 0.00 175.17 177.43 3h2w h SER 323 N 8.25 0.00 -0.85 -0.34 4.64 -1.93 -2.30 113.55 121.01 3h2w h SER 323 Ca -0.27 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.17 3h2w h SER 323 Cb 1.12 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 3h2w h SER 323 CO 0.79 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 176.40 3h2w n ALA 324 N -2.29 -0.16 0.29 5.18 0.00 -1.26 -1.00 120.51 121.27 3h2w n ALA 324 Ca 0.00 0.83 0.16 0.00 0.00 0.00 0.00 53.44 54.44 3h2w n ALA 324 Cb 0.28 -0.35 0.93 0.00 0.00 0.00 0.00 19.45 20.32 3h2w n ALA 324 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3h2w h TRP 325 N 0.00 0.00 -0.80 0.00 4.06 -1.78 -2.68 115.95 114.75 3h2w h TRP 325 Ca 0.28 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.37 3h2w h TRP 325 Cb 0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.59 3h2w h TRP 325 CO -0.76 0.00 0.53 0.00 -3.56 0.00 0.00 178.44 174.65 3h2w h ALA 326 N 1.96 2.02 -0.15 1.49 0.00 -1.26 -1.52 119.26 121.80 3h2w h ALA 326 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h2w h ALA 326 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h2w h ALA 326 CO -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 179.25 179.05 3h2w h ARG 327 N 0.51 0.20 0.02 0.00 3.08 -1.61 -2.54 114.38 114.04 3h2w h ARG 327 Ca 0.40 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 60.13 3h2w h ARG 327 Cb 0.80 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 3h2w h ARG 327 CO -0.15 0.20 -1.70 -0.24 -1.07 0.00 0.00 179.97 177.01 3h2w h VAL 328 N 0.20 0.88 -0.08 2.04 3.04 -1.49 -3.41 116.25 117.44 3h2w h VAL 328 Ca 0.05 -2.70 -0.16 0.00 -1.01 0.00 0.00 66.70 62.89 3h2w h VAL 328 Cb 0.09 2.47 0.01 0.00 -2.01 0.00 0.00 31.29 31.85 3h2w h VAL 328 CO -0.00 0.59 -0.56 0.00 -1.01 0.00 0.00 177.57 176.59 3h2w h GLU 330 N 0.10 0.37 -0.16 0.00 5.08 -1.68 0.39 114.58 118.68 3h2w h GLU 330 Ca -0.05 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3h2w h GLU 330 Cb 1.22 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3h2w h GLU 330 CO 0.11 0.88 -0.06 -1.35 -1.00 0.00 0.00 179.01 177.60 3h2w h PRO 331 N 0.27 -0.03 -0.39 2.33 0.11 -1.79 -2.07 132.00 130.44 3h2w h PRO 331 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 3h2w h PRO 331 Cb 1.17 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3h2w h PRO 331 CO 0.11 -0.02 0.08 -0.07 -0.21 0.00 0.00 178.00 177.89 3h2w h LEU 332 N -0.03 0.53 -1.44 2.35 3.38 -1.27 -0.78 115.31 118.06 3h2w h LEU 332 Ca 0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3h2w h LEU 332 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3h2w h LEU 332 CO -0.18 0.55 -0.23 -0.07 0.09 0.00 0.00 178.44 178.60 3h2w h LEU 333 N 0.56 0.00 -0.71 1.67 3.38 -0.24 -3.01 115.31 116.96 3h2w h LEU 333 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3h2w h LEU 333 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3h2w h LEU 333 CO -0.00 0.23 -0.08 -0.78 0.09 0.00 0.00 178.44 177.89 3h2w h ASP 334 N 0.00 0.00 -4.20 -0.43 3.58 -0.40 -3.47 116.42 111.50 3h2w h ASP 334 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 3h2w h ASP 334 Cb 0.59 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.80 3h2w h ASP 334 CO 0.03 0.08 0.35 -0.76 -2.88 0.00 0.00 179.24 176.06 3h2w s LEU 335 N -6.32 3.19 -0.08 2.28 1.43 -1.14 -4.91 118.68 113.14 3h2w s LEU 335 Ca 0.04 2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 55.43 3h2w s LEU 335 Cb 0.07 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.73 3h2w s LEU 335 CO 0.63 -2.47 2.20 0.47 0.23 0.00 0.00 176.35 177.41 3h2w n ASP 336 N -3.12 5.62 -4.78 2.29 8.00 -1.26 -4.93 116.55 118.37 3h2w n ASP 336 Ca 0.13 -2.58 -0.34 0.00 0.71 0.00 0.00 54.79 52.70 3h2w n ASP 336 Cb 0.51 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 3h2w n ASP 336 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h2w s LEU 337 N -0.46 3.68 0.26 0.64 1.43 -1.26 -5.00 118.68 117.97 3h2w s LEU 337 Ca 0.16 2.05 -0.30 0.00 -1.03 0.00 0.00 54.13 55.01 3h2w s LEU 337 Cb 0.10 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 3h2w s LEU 337 CO -0.01 -1.18 1.02 -2.16 0.23 0.00 0.00 176.35 174.25 3h2w s PRO 338 N -3.51 4.74 -1.13 1.29 0.05 -1.26 -4.93 135.00 130.24 3h2w s PRO 338 Ca 0.69 1.65 -0.05 0.00 0.05 0.00 0.00 61.00 63.35 3h2w s PRO 338 Cb -0.21 -3.22 0.27 0.00 0.05 0.00 0.00 34.50 31.39 3h2w s PRO 338 CO 0.29 0.35 1.63 0.91 0.05 0.00 0.00 177.00 180.24 3h2w n TRP 339 N 1.31 2.43 -3.88 0.56 7.02 -1.26 -4.24 117.44 119.38 3h2w n TRP 339 Ca -0.01 -2.62 -0.23 0.00 -1.02 0.00 0.00 57.50 53.62 3h2w n TRP 339 Cb 0.46 -1.43 -0.05 0.00 -2.42 0.00 0.00 31.31 27.87 3h2w n TRP 339 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3h2w s GLU 340 N -2.13 2.39 -0.60 -0.99 2.02 -1.26 -4.33 118.70 113.80 3h2w s GLU 340 Ca 0.34 -1.65 0.01 0.00 0.02 0.00 0.00 54.97 53.69 3h2w s GLU 340 Cb 0.08 -2.19 0.43 0.00 0.10 0.00 0.00 34.13 32.54 3h2w s GLU 340 CO 0.06 -0.11 1.74 1.28 0.02 0.00 0.00 175.26 178.25 3h2w n LEU 341 N -1.36 6.69 0.00 1.80 4.77 -1.20 -1.44 117.00 126.27 3h2w n LEU 341 Ca 0.00 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.36 3h2w n LEU 341 Cb 0.63 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3h2w n LEU 341 CO 0.44 1.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.88 3h2w n GLY 342 N -0.74 -3.41 0.18 -0.72 0.00 0.22 -4.96 105.19 95.76 3h2w n GLY 342 Ca 0.54 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.71 3h2w n GLY 342 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3h2w h TRP 343 N 0.00 0.00 0.14 1.61 5.08 -1.97 -3.41 115.95 117.40 3h2w h TRP 343 Ca 0.00 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.61 3h2w h TRP 343 Cb 0.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 3h2w h TRP 343 CO 0.00 0.36 -1.96 0.00 -1.28 0.00 0.00 178.44 175.56 3h2w h ALA 344 N 1.64 0.39 -2.67 0.11 0.00 -1.93 -3.44 119.26 113.36 3h2w h ALA 344 Ca -0.00 -1.35 -0.72 0.00 0.00 0.00 0.00 54.91 52.83 3h2w h ALA 344 Cb 1.07 0.67 -0.27 0.00 0.00 0.00 0.00 17.79 19.26 3h2w h ALA 344 CO 0.05 1.27 -0.43 -0.51 0.00 0.00 0.00 179.25 179.62 3h2w s ASP 345 N -7.09 5.76 0.00 0.00 1.11 -1.26 -4.86 116.67 110.33 3h2w s ASP 345 Ca -0.21 -1.46 0.02 0.00 0.18 0.00 0.00 52.55 51.08 3h2w s ASP 345 Cb 0.06 -2.03 0.03 0.00 1.07 0.00 0.00 42.92 42.05 3h2w s ASP 345 CO 0.78 -0.56 0.70 1.33 1.18 0.00 0.00 175.17 178.60 3h2w n VAL 346 N 4.99 0.28 -0.34 -1.27 0.24 -1.24 0.72 118.33 121.72 3h2w n VAL 346 Ca -0.11 -0.64 0.15 0.00 -2.04 0.00 0.00 64.34 61.71 3h2w n VAL 346 Cb 0.43 0.89 0.35 0.00 -1.47 0.00 0.00 33.84 34.04 3h2w n VAL 346 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h2w h ALA 347 N 0.39 1.68 0.00 2.33 0.00 -1.71 -1.58 119.26 120.37 3h2w h ALA 347 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3h2w h ALA 347 Cb 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h2w h ALA 347 CO 0.00 -0.23 -0.12 1.25 0.00 0.00 0.00 179.25 180.15 3h2w h LEU 348 N 0.59 0.00 -0.92 0.00 5.85 -1.44 0.25 115.31 119.63 3h2w h LEU 348 Ca 0.61 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.29 3h2w h LEU 348 Cb 1.10 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3h2w h LEU 348 CO -0.46 0.12 0.35 1.88 -0.34 0.00 0.00 178.44 179.99 3h2w h TYR 349 N 0.00 1.13 -0.72 1.25 0.05 -1.44 -2.12 116.97 115.12 3h2w h TYR 349 Ca -0.00 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 3h2w h TYR 349 Cb 0.26 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 3h2w h TYR 349 CO 0.00 0.83 0.18 0.78 -1.05 0.00 0.00 178.16 178.91 3h2w h GLY 350 N 1.14 1.23 0.70 3.88 0.00 -0.66 -1.34 103.07 108.02 3h2w h GLY 350 Ca 0.26 -0.76 0.05 0.00 0.00 0.00 0.00 47.33 46.88 3h2w h GLY 350 CO -0.03 0.71 0.34 -2.08 0.00 0.00 0.00 176.54 175.48 3h2w h VAL 351 N 1.09 0.97 -0.13 4.60 2.07 -0.68 -0.71 116.25 123.45 3h2w h VAL 351 Ca 0.23 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3h2w h VAL 351 Cb 0.36 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3h2w h VAL 351 CO 0.00 0.12 -0.24 0.24 0.02 0.00 0.00 177.57 177.71 3h2w h MET 352 N 0.63 0.40 -0.59 1.57 2.07 -1.15 0.43 114.93 118.30 3h2w h MET 352 Ca 0.28 -0.25 0.09 0.00 -2.07 0.00 0.00 59.70 57.75 3h2w h MET 352 Cb 0.17 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 29.86 3h2w h MET 352 CO -0.17 0.84 0.22 -0.44 1.07 0.00 0.00 176.91 178.43 3h2w h ASP 353 N -0.00 0.22 0.08 1.22 3.32 -1.00 0.11 116.42 120.36 3h2w h ASP 353 Ca 0.01 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3h2w h ASP 353 Cb 0.82 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3h2w h ASP 353 CO 0.05 0.14 -0.04 0.22 -1.72 0.00 0.00 179.24 177.89 3h2w h TYR 354 N 0.40 -0.09 0.00 4.55 3.20 -0.99 -1.87 116.97 122.18 3h2w h TYR 354 Ca 0.29 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3h2w h TYR 354 Cb 0.35 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 3h2w h TYR 354 CO -0.17 0.12 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.40 3h2w h LEU 355 N -0.29 0.00 -2.73 2.82 4.07 -0.57 -1.99 115.31 116.61 3h2w h LEU 355 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3h2w h LEU 355 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3h2w h LEU 355 CO 0.02 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.92 3h2w n ARG 356 N -3.45 2.67 -2.75 1.13 1.74 0.34 -4.90 116.66 111.44 3h2w n ARG 356 Ca -0.03 -2.13 -0.37 0.00 -0.77 0.00 0.00 57.85 54.55 3h2w n ARG 356 Cb 0.08 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 3h2w n ARG 356 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h2w s THR 357 N -1.02 4.14 0.26 0.55 2.01 -0.72 -5.02 115.64 115.84 3h2w s THR 357 Ca 0.29 1.81 -0.31 0.00 0.31 0.00 0.00 61.69 63.79 3h2w s THR 357 Cb 0.15 -4.02 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 3h2w s THR 357 CO 0.20 0.18 1.59 -2.65 -0.69 0.00 0.00 174.62 173.25 3h2w n PRO 358 N 0.64 2.56 -0.33 4.92 -0.02 -1.26 -4.89 135.00 136.62 3h2w n PRO 358 Ca 0.02 0.91 0.24 0.00 -2.02 0.00 0.00 63.50 62.65 3h2w n PRO 358 Cb 0.50 -2.69 0.52 0.00 -0.02 0.00 0.00 33.50 31.80 3h2w n PRO 358 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h2w h ARG 359 N 5.13 0.36 -1.04 -0.52 3.08 -1.94 -1.42 114.38 118.04 3h2w h ARG 359 Ca -0.46 -0.02 0.29 0.00 0.07 0.00 0.00 59.98 59.86 3h2w h ARG 359 Cb 1.23 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 3h2w h ARG 359 CO 0.82 0.24 0.72 0.00 -1.07 0.00 0.00 179.97 180.69 3h2w h ALA 360 N 1.62 2.74 -0.00 0.04 0.00 -1.99 -2.18 119.26 119.49 3h2w h ALA 360 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3h2w h ALA 360 Cb 1.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3h2w h ALA 360 CO -0.31 -1.07 -0.38 0.00 0.00 0.00 0.00 179.25 177.49 3h2w n ALA 361 N -2.66 3.32 -2.36 0.00 0.00 -0.53 -4.96 120.51 113.33 3h2w n ALA 361 Ca 0.23 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 3h2w n ALA 361 Cb 1.02 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 3h2w n ALA 361 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h2w s VAL 362 N -2.75 0.41 0.06 0.00 -7.23 -0.82 -4.34 120.40 105.73 3h2w s VAL 362 Ca 0.18 -1.62 -0.31 0.00 -1.81 0.00 0.00 61.98 58.42 3h2w s VAL 362 Cb 0.18 -1.26 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 3h2w s VAL 362 CO 0.61 -0.80 1.52 -0.94 -0.31 0.00 0.00 175.10 175.19 3h2w s SER 363 N -2.56 6.72 0.30 4.85 1.04 -1.26 -4.87 113.70 117.91 3h2w s SER 363 Ca 0.03 2.34 0.01 0.00 0.48 0.00 0.00 55.95 58.82 3h2w s SER 363 Cb 0.02 -2.57 0.56 0.00 0.10 0.00 0.00 66.02 64.13 3h2w s SER 363 CO -0.05 -0.79 1.89 0.44 0.98 0.00 0.00 173.24 175.70 3h2w h ASP 364 N 7.84 0.90 0.20 7.02 3.45 -1.99 -0.72 116.42 133.13 3h2w h ASP 364 Ca -0.41 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.08 3h2w h ASP 364 Cb 1.19 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 3h2w h ASP 364 CO 0.91 0.54 -0.24 -0.78 -1.57 0.00 0.00 179.24 178.10 3h2w h ASP 365 N 1.00 -0.64 -0.13 6.45 3.58 -2.00 -1.43 116.42 123.24 3h2w h ASP 365 Ca 0.43 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.94 3h2w h ASP 365 Cb 0.33 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3h2w h ASP 365 CO -0.18 -0.34 0.07 0.58 -2.88 0.00 0.00 179.24 176.49 3h2w h VAL 366 N -0.49 1.08 -0.68 2.25 2.07 -1.89 -2.42 116.25 116.17 3h2w h VAL 366 Ca 0.00 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.45 3h2w h VAL 366 Cb 0.47 0.99 -0.13 0.00 -1.52 0.00 0.00 31.29 31.09 3h2w h VAL 366 CO -0.08 0.07 -0.21 -0.09 0.02 0.00 0.00 177.57 177.28 3h2w h ARG 367 N 0.12 -0.04 -0.24 1.57 2.43 -1.00 0.44 114.38 117.67 3h2w h ARG 367 Ca 0.05 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3h2w h ARG 367 Cb 0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3h2w h ARG 367 CO -0.01 -0.03 -0.33 -0.91 -1.51 0.00 0.00 179.97 177.18 3h2w h ASN 368 N -0.04 0.52 -0.30 -3.80 -0.26 -1.06 0.11 115.58 110.75 3h2w h ASN 368 Ca 0.31 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3h2w h ASN 368 Cb 0.53 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3h2w h ASN 368 CO -0.72 0.82 0.11 0.11 -1.06 0.00 0.00 177.43 176.70 3h2w h LYS 369 N 0.43 0.45 -0.06 0.81 1.57 -0.70 0.23 116.57 119.31 3h2w h LYS 369 Ca 0.05 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3h2w h LYS 369 Cb 0.79 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 3h2w h LYS 369 CO 0.06 0.48 -0.27 0.28 -0.57 0.00 0.00 179.45 179.43 3h2w h VAL 370 N 0.33 0.38 -0.60 0.50 2.07 0.35 0.46 116.25 119.73 3h2w h VAL 370 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.70 3h2w h VAL 370 Cb 0.20 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3h2w h VAL 370 CO -0.01 0.00 0.40 0.11 0.02 0.00 0.00 177.57 178.10 3h2w h LYS 371 N -0.38 0.48 -0.02 1.57 1.57 -0.69 0.11 116.57 119.20 3h2w h LYS 371 Ca 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3h2w h LYS 371 Cb 0.50 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3h2w h LYS 371 CO -0.28 0.32 -0.01 0.77 -0.57 0.00 0.00 179.45 179.68 3h2w h SER 372 N 0.49 0.05 -0.52 0.86 0.02 0.21 -1.34 113.55 113.32 3h2w h SER 372 Ca 0.27 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3h2w h SER 372 Cb 0.42 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3h2w h SER 372 CO -0.08 0.45 0.32 -0.09 -1.14 0.00 0.00 176.83 176.29 3h2w h ARG 373 N -0.35 0.70 -0.53 3.45 2.43 -0.48 -1.33 114.38 118.27 3h2w h ARG 373 Ca 0.00 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3h2w h ARG 373 Cb 0.43 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 3h2w h ARG 373 CO 0.00 0.50 0.14 1.25 -1.51 0.00 0.00 179.97 180.36 3h2w h LEU 374 N 0.70 0.07 -0.54 3.80 5.85 -0.78 -1.10 115.31 123.31 3h2w h LEU 374 Ca 0.19 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 3h2w h LEU 374 Cb -0.02 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3h2w h LEU 374 CO -0.04 0.06 -0.19 0.25 -0.34 0.00 0.00 178.44 178.19 3h2w h LEU 375 N 0.29 1.00 -1.39 2.25 5.85 -0.74 -2.24 115.31 120.33 3h2w h LEU 375 Ca 0.26 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3h2w h LEU 375 Cb 0.34 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3h2w h LEU 375 CO -0.31 1.15 0.33 0.03 -0.34 0.00 0.00 178.44 179.29 3h2w h ARG 376 N 0.85 0.74 -0.31 1.25 3.08 -0.77 -1.25 114.38 117.98 3h2w h ARG 376 Ca 0.12 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3h2w h ARG 376 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3h2w h ARG 376 CO 0.06 0.52 -0.14 0.93 -1.07 0.00 0.00 179.97 180.28 3h2w h GLU 377 N 0.76 0.64 -0.90 0.04 4.39 -0.71 -1.89 114.58 116.91 3h2w h GLU 377 Ca 0.20 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3h2w h GLU 377 Cb -0.02 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3h2w h GLU 377 CO -0.04 0.86 0.58 -0.07 -1.16 0.00 0.00 179.01 179.18 3h2w h LEU 378 N 0.40 0.97 -0.54 1.33 3.38 -1.20 -1.45 115.31 118.20 3h2w h LEU 378 Ca 0.07 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3h2w h LEU 378 Cb 0.66 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3h2w h LEU 378 CO 0.04 0.67 0.28 0.44 0.09 0.00 0.00 178.44 179.96 3h2w h ASP 379 N 1.14 0.39 -0.20 -0.43 3.32 -0.99 0.14 116.42 119.79 3h2w h ASP 379 Ca 0.35 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.47 3h2w h ASP 379 Cb -0.02 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3h2w h ASP 379 CO -0.11 0.26 -0.03 0.00 -1.72 0.00 0.00 179.24 177.64 3h2w h ALA 380 N 1.30 0.14 -0.95 3.45 0.00 -0.71 -1.22 119.26 121.28 3h2w h ALA 380 Ca 0.24 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3h2w h ALA 380 Cb 0.16 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3h2w h ALA 380 CO -0.17 -0.46 0.62 -0.07 0.00 0.00 0.00 179.25 179.17 3h2w h LEU 381 N 0.02 1.07 -0.52 0.00 3.38 -0.73 -2.26 115.31 116.26 3h2w h LEU 381 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3h2w h LEU 381 Cb 0.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3h2w h LEU 381 CO -0.19 0.76 0.27 0.00 0.09 0.00 0.00 178.44 179.36 3h2w h ALA 382 N 1.42 0.67 -0.61 1.53 0.00 -0.08 -0.63 119.26 121.55 3h2w h ALA 382 Ca 0.36 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3h2w h ALA 382 Cb -0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 3h2w h ALA 382 CO -0.09 0.21 0.30 0.00 0.00 0.00 0.00 179.25 179.67 3h2w h ALA 383 N 1.10 0.81 -0.33 0.00 0.00 -0.95 0.42 119.26 120.32 3h2w h ALA 383 Ca 0.18 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3h2w h ALA 383 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h2w h ALA 383 CO -0.03 -0.07 0.21 0.52 0.00 0.00 0.00 179.25 179.88 3h2w h MET 384 N 0.55 0.41 -0.37 0.00 2.07 -0.91 -2.76 114.93 113.92 3h2w h MET 384 Ca 0.29 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.89 3h2w h MET 384 Cb 0.25 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 3h2w h MET 384 CO -0.22 0.27 0.20 0.00 1.07 0.00 0.00 176.91 178.23 3h2w h ALA 385 N 1.13 0.47 -0.70 6.32 0.00 -0.46 -2.54 119.26 123.49 3h2w h ALA 385 Ca 0.13 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.11 3h2w h ALA 385 Cb -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 17.50 3h2w h ALA 385 CO -0.04 0.00 -0.03 0.93 0.00 0.00 0.00 179.25 180.11 3h2w h GLU 386 N 0.47 0.08 -0.02 0.00 5.08 0.10 -1.55 114.58 118.75 3h2w h GLU 386 Ca 0.13 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3h2w h GLU 386 Cb 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3h2w h GLU 386 CO -0.02 0.05 -0.04 -1.13 -1.00 0.00 0.00 179.01 176.87 3h2w n SER 387 N -5.35 1.69 -4.81 1.42 3.41 -1.07 -4.89 113.62 104.02 3h2w n SER 387 Ca 0.11 -1.50 -0.39 0.00 -0.26 0.00 0.00 58.87 56.83 3h2w n SER 387 Cb 0.41 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 3h2w n SER 387 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3h2w s HIS 388 N -2.07 3.81 0.30 7.33 5.04 -0.58 -4.99 115.29 124.12 3h2w s HIS 388 Ca 0.34 1.28 0.00 0.00 -1.54 0.00 0.00 55.06 55.15 3h2w s HIS 388 Cb 0.21 -2.50 0.47 0.00 0.04 0.00 0.00 32.58 30.79 3h2w s HIS 388 CO 0.36 0.58 1.85 -1.35 -2.34 0.00 0.00 174.74 173.84 3h2w h PRO 389 N 4.49 0.75 -0.32 2.88 0.11 -1.86 -2.19 132.00 135.87 3h2w h PRO 389 Ca -0.50 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3h2w h PRO 389 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h2w h PRO 389 CO 0.64 0.68 0.00 1.19 -0.21 0.00 0.00 178.00 180.30 3h2w n PHE 390 N -4.29 0.43 -1.26 0.65 3.72 -1.26 -4.94 117.46 110.51 3h2w n PHE 390 Ca 0.03 -0.22 -0.09 0.00 -0.05 0.00 0.00 57.45 57.13 3h2w n PHE 390 Cb 0.21 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 3h2w n PHE 390 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h2w n GLY 391 N 1.11 1.03 3.91 1.37 0.00 -0.83 -4.86 105.19 106.92 3h2w n GLY 391 Ca 0.13 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3h2w n GLY 391 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h2w s ILE 392 N -2.18 5.14 -1.26 -0.61 -4.36 -1.26 -4.75 121.20 111.93 3h2w s ILE 392 Ca 0.00 -0.05 -0.11 0.00 -0.26 0.00 0.00 60.65 60.23 3h2w s ILE 392 Cb 0.00 -3.67 0.17 0.00 1.25 0.00 0.00 42.46 40.21 3h2w s ILE 392 CO 0.00 -0.08 1.71 -0.81 0.24 0.00 0.00 174.94 176.00 3h2w n PRO 393 N -0.30 3.53 -4.04 0.37 -0.04 -1.26 -3.55 135.00 129.71 3h2w n PRO 393 Ca -0.03 -3.65 -0.08 0.00 -0.04 0.00 0.00 63.50 59.71 3h2w n PRO 393 Cb 0.53 -2.97 -0.10 0.00 -0.04 0.00 0.00 33.50 30.91 3h2w n PRO 393 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3h2w s MET 394 N 0.83 0.52 0.43 0.54 -1.94 -1.26 -4.85 119.30 113.57 3h2w s MET 394 Ca 0.41 -1.00 0.06 0.00 -1.71 0.00 0.00 55.69 53.45 3h2w s MET 394 Cb 0.05 0.18 -0.06 0.00 2.01 0.00 0.00 34.83 37.01 3h2w s MET 394 CO 0.00 -0.10 0.01 1.03 -0.01 0.00 0.00 175.02 175.96 3h2w s ARG 395 N -3.08 2.01 0.25 2.03 0.52 -1.26 -4.81 118.95 114.60 3h2w s ARG 395 Ca -0.01 -2.18 -0.05 0.00 -0.52 0.00 0.00 55.73 52.98 3h2w s ARG 395 Cb 0.02 -1.60 0.27 0.00 0.52 0.00 0.00 34.95 34.16 3h2w s ARG 395 CO -0.07 -0.13 1.81 -0.44 0.02 0.00 0.00 175.30 176.49 3h2w h ASP 396 N 1.68 0.97 0.71 0.23 3.32 -2.01 -1.63 116.42 119.69 3h2w h ASP 396 Ca -0.44 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.44 3h2w h ASP 396 Cb 1.26 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3h2w h ASP 396 CO 0.79 0.88 -0.09 -2.24 -1.72 0.00 0.00 179.24 176.86 3h2w h ASP 397 N 1.02 0.00 0.74 6.45 -0.00 -2.01 -2.57 116.42 120.05 3h2w h ASP 397 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.26 3h2w h ASP 397 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3h2w h ASP 397 CO -0.02 0.09 0.00 0.47 -0.00 0.00 0.00 179.24 179.78 3h2w n ASP 398 N -3.31 0.52 -4.56 4.15 8.00 -0.62 -4.39 116.55 116.34 3h2w n ASP 398 Ca -0.01 0.62 -0.43 0.00 0.71 0.00 0.00 54.79 55.69 3h2w n ASP 398 Cb 0.29 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 3h2w n ASP 398 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h2w s PHE 399 N -3.22 2.81 0.29 1.24 0.08 -0.97 -4.76 117.98 113.45 3h2w s PHE 399 Ca 0.06 -1.48 0.02 0.00 0.12 0.00 0.00 56.93 55.64 3h2w s PHE 399 Cb 0.10 -4.68 0.02 0.00 -0.57 0.00 0.00 43.02 37.89 3h2w s PHE 399 CO 0.38 -1.78 0.13 0.44 -0.10 0.00 0.00 175.22 174.29 3h2w n ILE 400 N 6.29 0.00 -1.66 0.64 -5.35 -1.25 -1.99 119.36 116.03 3h2w n ILE 400 Ca 0.43 -1.23 -0.54 0.00 -0.27 0.00 0.00 62.75 61.14 3h2w n ILE 400 Cb 0.47 -0.05 -0.06 0.00 -1.74 0.00 0.00 39.64 38.26 3h2w n ILE 400 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 3h2w n TRP 401 N -1.00 1.89 -2.28 4.28 -0.00 -1.26 -1.01 117.44 118.06 3h2w n TRP 401 Ca -0.05 0.50 -0.06 0.00 -0.00 0.00 0.00 57.50 57.89 3h2w n TRP 401 Cb 0.34 -2.44 0.00 0.00 -0.00 0.00 0.00 31.31 29.22 3h2w n TRP 401 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3h2w n GLY 402 N 3.52 0.22 0.29 5.87 0.00 -1.25 -4.94 105.19 108.90 3h2w n GLY 402 Ca 0.22 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3h2w n GLY 402 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h2w h SER 403 N -0.18 0.00 -0.53 1.61 4.64 -0.24 0.06 113.55 118.90 3h2w h SER 403 Ca -0.15 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 3h2w h SER 403 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3h2w h SER 403 CO 0.16 0.00 0.05 0.78 -0.87 0.00 0.00 176.83 176.96 3h2w h ASN 404 N 0.00 0.91 -0.48 4.97 -0.26 -1.45 -1.10 115.58 118.18 3h2w h ASN 404 Ca 0.03 -0.22 -0.07 0.00 -0.56 0.00 0.00 56.30 55.48 3h2w h ASN 404 Cb 0.15 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 3h2w h ASN 404 CO -0.00 0.94 0.03 -0.03 -1.06 0.00 0.00 177.43 177.31 3h2w h MET 405 N 0.89 0.88 -0.10 0.81 4.05 -1.19 -0.12 114.93 120.15 3h2w h MET 405 Ca 0.17 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3h2w h MET 405 Cb 0.45 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3h2w h MET 405 CO 0.02 0.86 0.06 0.28 0.23 0.00 0.00 176.91 178.36 3h2w h VAL 406 N 0.83 1.05 -0.39 -5.77 2.07 -1.00 0.38 116.25 113.41 3h2w h VAL 406 Ca 0.16 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3h2w h VAL 406 Cb 0.45 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3h2w h VAL 406 CO 0.02 0.05 0.13 0.25 0.02 0.00 0.00 177.57 178.04 3h2w h LEU 407 N 0.11 0.56 -0.35 2.57 5.85 -1.08 -2.41 115.31 120.57 3h2w h LEU 407 Ca 0.04 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 3h2w h LEU 407 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3h2w h LEU 407 CO -0.01 0.60 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.29 3h2w h LEU 408 N 0.49 0.89 -1.75 2.25 3.38 -0.84 -1.39 115.31 118.34 3h2w h LEU 408 Ca 0.13 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3h2w h LEU 408 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3h2w h LEU 408 CO -0.01 1.17 0.27 0.78 0.09 0.00 0.00 178.44 180.75 3h2w h ASN 409 N 0.63 0.27 0.25 -0.43 2.35 -0.13 0.92 115.58 119.44 3h2w h ASN 409 Ca 0.06 -0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.49 3h2w h ASN 409 Cb 0.92 -0.06 0.03 0.00 0.05 0.00 0.00 38.32 39.26 3h2w h ASN 409 CO 0.08 0.18 -1.37 0.03 -1.65 0.00 0.00 177.43 174.70 3h2w h ARG 410 N 0.31 0.55 -0.14 0.81 3.08 -0.90 -1.59 114.38 116.49 3h2w h ARG 410 Ca 0.17 -0.85 0.04 0.00 0.07 0.00 0.00 59.98 59.42 3h2w h ARG 410 Cb 0.30 0.30 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 3h2w h ARG 410 CO -0.04 1.40 -0.15 0.00 -1.07 0.00 0.00 179.97 180.11 3h2w h ALA 411 N 0.25 -0.06 -0.78 0.04 0.00 -0.89 -2.43 119.26 115.39 3h2w h ALA 411 Ca -0.22 0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.91 3h2w h ALA 411 Cb 2.06 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 20.10 3h2w h ALA 411 CO 0.26 -0.60 0.53 1.98 0.00 0.00 0.00 179.25 181.41 3h2w h MET 412 N -0.18 0.34 -0.02 0.00 1.85 -0.75 -2.19 114.93 113.99 3h2w h MET 412 Ca 0.10 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 3h2w h MET 412 Cb 0.32 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.28 3h2w h MET 412 CO -0.25 0.23 0.01 0.00 -0.40 0.00 0.00 176.91 176.50 3h2w h ALA 413 N 1.64 0.02 -0.86 0.39 0.00 -0.78 -1.38 119.26 118.29 3h2w h ALA 413 Ca 0.39 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.32 3h2w h ALA 413 Cb 1.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3h2w h ALA 413 CO -0.12 -0.39 0.55 0.74 0.00 0.00 0.00 179.25 180.04 3h2w h PHE 414 N -0.16 0.85 0.10 0.00 0.04 -1.33 -1.97 116.94 114.49 3h2w h PHE 414 Ca 0.00 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.52 3h2w h PHE 414 Cb 0.18 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3h2w h PHE 414 CO -0.01 0.37 -1.38 -0.07 -0.60 0.00 0.00 178.31 176.62 3h2w h LEU 415 N 0.77 0.34 -0.93 1.54 3.38 -1.33 -2.97 115.31 116.11 3h2w h LEU 415 Ca 0.41 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3h2w h LEU 415 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3h2w h LEU 415 CO -0.17 1.34 -0.37 -0.07 0.09 0.00 0.00 178.44 179.26 3h2w h LEU 416 N 0.06 0.32 -1.52 1.67 3.38 -1.15 -3.08 115.31 115.00 3h2w h LEU 416 Ca -0.18 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 3h2w h LEU 416 Cb 1.97 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3h2w h LEU 416 CO 0.17 0.67 -0.09 0.00 0.09 0.00 0.00 178.44 179.28 3h2w h ALA 417 N 1.35 1.61 0.00 1.53 0.00 -1.21 -1.92 119.26 120.62 3h2w h ALA 417 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3h2w h ALA 417 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h2w h ALA 417 CO 0.06 0.29 -0.20 0.93 0.00 0.00 0.00 179.25 180.33 3h2w h GLU 418 N 0.19 0.00 0.00 0.00 5.08 -1.43 -1.48 114.58 116.95 3h2w h GLU 418 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3h2w h GLU 418 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3h2w h GLU 418 CO 0.02 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3h2w n GLY 419 N -0.61 -0.90 1.05 -3.84 0.00 -0.72 -3.53 105.19 96.65 3h2w n GLY 419 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.94 3h2w n GLY 419 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h2w n VAL 420 N -1.22 1.01 -1.80 1.61 0.24 -0.69 -4.99 118.33 112.49 3h2w n VAL 420 Ca 0.11 -1.99 -0.18 0.00 -2.04 0.00 0.00 64.34 60.24 3h2w n VAL 420 Cb 0.14 0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 3h2w n VAL 420 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h2w n GLY 421 N -0.26 1.07 3.16 7.63 0.00 -1.21 -4.95 105.19 110.62 3h2w n GLY 421 Ca 0.12 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3h2w n GLY 421 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2w s VAL 422 N -2.75 4.43 -0.96 1.61 1.01 -0.64 -5.01 120.40 118.08 3h2w s VAL 422 Ca 0.00 -3.13 -0.14 0.00 0.00 0.00 0.00 61.98 58.71 3h2w s VAL 422 Cb 0.00 -3.79 0.21 0.00 0.00 0.00 0.00 36.38 32.80 3h2w s VAL 422 CO 0.00 -0.98 1.00 -0.76 0.00 0.00 0.00 175.10 174.36 3h2w s LEU 423 N -0.43 6.10 0.04 3.92 1.02 -1.26 -3.42 118.68 124.64 3h2w s LEU 423 Ca 0.21 -2.80 -0.30 0.00 0.02 0.00 0.00 54.13 51.26 3h2w s LEU 423 Cb -0.14 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 3h2w s LEU 423 CO -0.07 -0.63 0.99 -2.28 0.02 0.00 0.00 176.35 174.38 3h2w s HIS 424 N 0.54 3.69 0.61 0.29 2.46 -1.26 -4.94 115.29 116.68 3h2w s HIS 424 Ca 0.27 1.70 0.34 0.00 0.47 0.00 0.00 55.06 57.84 3h2w s HIS 424 Cb -0.08 -3.12 1.98 0.00 -0.13 0.00 0.00 32.58 31.22 3h2w s HIS 424 CO -0.08 -0.03 2.27 -1.00 -2.47 0.00 0.00 174.74 173.43 3h2w h PRO 425 N 6.44 0.00 -0.00 2.88 0.13 -2.01 -1.79 132.00 137.65 3h2w h PRO 425 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3h2w h PRO 425 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h2w h PRO 425 CO 0.74 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.34 3h2w n ALA 426 N -2.25 2.86 -0.14 -0.56 0.00 -1.26 -4.53 120.51 114.63 3h2w n ALA 426 Ca -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.10 3h2w n ALA 426 Cb 0.11 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.31 3h2w n ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h2w h ALA 427 N 3.43 0.55 0.00 0.00 0.00 -1.68 -0.48 119.26 121.08 3h2w h ALA 427 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3h2w h ALA 427 Cb 0.42 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3h2w h ALA 427 CO 0.00 -0.24 -1.17 0.45 0.00 0.00 0.00 179.25 178.28 3h2w h HIS 428 N 0.32 0.00 -0.73 0.00 3.86 -1.82 -2.79 115.15 113.98 3h2w h HIS 428 Ca 0.22 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3h2w h HIS 428 Cb 0.23 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3h2w h HIS 428 CO -0.17 0.74 0.26 1.15 0.86 0.00 0.00 177.93 180.77 3h2w h THR 429 N 0.00 1.25 -0.43 2.45 2.02 -1.78 -2.55 112.91 113.87 3h2w h THR 429 Ca -0.12 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 3h2w h THR 429 Cb 1.67 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3h2w h THR 429 CO 0.08 0.34 -0.18 0.58 0.37 0.00 0.00 175.52 176.70 3h2w h VAL 430 N 1.08 1.28 0.15 3.16 2.07 -1.09 -1.48 116.25 121.41 3h2w h VAL 430 Ca 0.24 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3h2w h VAL 430 Cb 0.26 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3h2w h VAL 430 CO -0.01 0.45 -0.11 0.00 0.02 0.00 0.00 177.57 177.91 3h2w h ALA 431 N 0.84 -0.25 -0.64 1.67 0.00 -1.44 0.46 119.26 119.90 3h2w h ALA 431 Ca 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3h2w h ALA 431 Cb 0.74 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3h2w h ALA 431 CO 0.06 -0.65 0.27 0.37 0.00 0.00 0.00 179.25 179.30 3h2w h GLN 432 N -0.27 0.46 -0.40 0.00 5.75 -1.42 -0.45 115.11 118.77 3h2w h GLN 432 Ca -0.01 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 3h2w h GLN 432 Cb 0.24 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3h2w h GLN 432 CO -0.01 0.30 0.04 0.00 -2.65 0.00 0.00 178.83 176.51 3h2w h ARG 433 N 0.47 0.69 -0.38 1.69 2.47 -0.86 0.20 114.38 118.66 3h2w h ARG 433 Ca 0.32 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3h2w h ARG 433 Cb 0.38 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 3h2w h ARG 433 CO -0.30 0.76 0.24 0.00 0.56 0.00 0.00 179.97 181.23 3h2w h ALA 434 N 0.91 0.48 -0.10 0.04 0.00 -0.28 -0.13 119.26 120.18 3h2w h ALA 434 Ca 0.12 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3h2w h ALA 434 Cb 0.42 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3h2w h ALA 434 CO 0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 179.25 179.04 3h2w h ALA 435 N 1.12 -0.13 -0.42 0.00 0.00 -0.89 -1.13 119.26 117.81 3h2w h ALA 435 Ca 0.14 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3h2w h ALA 435 Cb -0.03 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3h2w h ALA 435 CO -0.03 -0.64 -0.41 -0.44 0.00 0.00 0.00 179.25 177.74 3h2w h ASP 436 N -0.24 -1.35 -0.11 0.00 3.32 -0.41 0.37 116.42 118.00 3h2w h ASP 436 Ca 0.09 0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.39 3h2w h ASP 436 Cb 0.36 0.60 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3h2w h ASP 436 CO -0.24 -0.36 -0.11 0.22 -1.72 0.00 0.00 179.24 177.03 3h2w h TYR 437 N -0.30 -0.28 -0.30 4.55 3.20 -0.89 -0.29 116.97 122.65 3h2w h TYR 437 Ca 0.15 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.08 3h2w h TYR 437 Cb 0.57 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3h2w h TYR 437 CO -0.61 -0.17 0.21 1.25 -1.64 0.00 0.00 178.16 177.19 3h2w h LEU 438 N -0.14 0.20 -2.38 2.82 5.85 -0.58 -0.71 115.31 120.37 3h2w h LEU 438 Ca 0.08 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3h2w h LEU 438 Cb 0.26 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3h2w h LEU 438 CO -0.19 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.53 3h2w n PHE 439 N -4.49 0.83 0.00 1.25 3.72 0.06 -0.67 117.46 118.17 3h2w n PHE 439 Ca 0.03 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 3h2w n PHE 439 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3h2w n PHE 439 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h2w n GLY 440 N 1.54 0.26 3.25 1.37 0.00 -0.28 -2.12 105.19 109.21 3h2w n GLY 440 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3h2w n GLY 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2w n ALA 441 N 0.00 4.34 -3.40 4.61 0.00 -0.22 -3.85 120.51 122.00 3h2w n ALA 441 Ca 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 53.44 49.38 3h2w n ALA 441 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 19.45 15.97 3h2w n ALA 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h2w s ASN 442 N 3.37 -0.18 0.57 0.00 2.20 -1.26 -3.87 114.94 115.77 3h2w s ASN 442 Ca 0.49 -0.73 0.25 0.00 -0.94 0.00 0.00 52.86 51.93 3h2w s ASN 442 Cb 0.06 0.62 1.62 0.00 -2.00 0.00 0.00 41.25 41.55 3h2w s ASN 442 CO 0.01 -1.18 2.18 -0.65 -2.94 0.00 0.00 177.10 174.53 3h2w h PRO 443 N 2.17 0.00 -0.01 3.55 0.11 -1.89 -1.62 132.00 134.31 3h2w h PRO 443 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3h2w h PRO 443 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h2w h PRO 443 CO 0.32 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 179.33 3h2w n LEU 444 N -4.06 1.34 -2.17 2.35 4.77 -1.26 -4.92 117.00 113.05 3h2w n LEU 444 Ca -0.01 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.40 3h2w n LEU 444 Cb 0.16 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3h2w n LEU 444 CO 0.30 0.23 -0.17 0.61 -1.33 0.00 0.00 177.39 177.02 3h2w n GLY 445 N 1.22 -0.01 3.64 -0.72 0.00 -0.61 -4.92 105.19 103.79 3h2w n GLY 445 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3h2w n GLY 445 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h2w s GLN 446 N -4.56 4.07 -0.26 1.61 2.00 -1.25 -4.67 119.66 116.59 3h2w s GLN 446 Ca 0.00 -0.06 -0.27 0.00 -2.00 0.00 0.00 55.36 53.03 3h2w s GLN 446 Cb 0.00 -3.59 0.01 0.00 0.80 0.00 0.00 33.01 30.23 3h2w s GLN 446 CO 0.00 -0.10 0.96 0.00 -0.50 0.00 0.00 175.29 175.65 3h2w n TYR 448 N 6.35 0.93 -4.93 0.00 4.01 0.16 -2.83 117.16 120.85 3h2w n TYR 448 Ca 0.09 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.90 57.15 3h2w n TYR 448 Cb 0.47 -0.21 -0.14 0.00 -0.31 0.00 0.00 39.34 39.15 3h2w n TYR 448 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3h2w s VAL 449 N -1.78 2.82 0.37 -0.72 1.01 -1.26 -1.09 120.40 119.75 3h2w s VAL 449 Ca 0.29 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3h2w s VAL 449 Cb 0.20 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 3h2w s VAL 449 CO 0.13 0.56 1.28 0.42 0.00 0.00 0.00 175.10 177.48 3h2w s THR 450 N -0.08 2.74 0.00 3.92 -4.23 -0.55 -3.27 115.64 114.17 3h2w s THR 450 Ca -0.03 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3h2w s THR 450 Cb -0.14 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3h2w s THR 450 CO 0.04 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 3h2w n GLY 451 N 0.73 0.52 3.11 3.99 0.00 -1.26 -0.79 105.19 111.50 3h2w n GLY 451 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3h2w n GLY 451 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2w s PHE 452 N -2.00 0.41 0.06 1.61 0.08 -1.24 -4.91 117.98 112.00 3h2w s PHE 452 Ca 0.00 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.13 3h2w s PHE 452 Cb 0.00 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.15 3h2w s PHE 452 CO 0.00 -0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.12 3h2w n GLY 453 N 0.15 -1.89 0.09 4.36 0.00 -1.26 -3.65 105.19 102.99 3h2w n GLY 453 Ca -0.15 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.63 3h2w n GLY 453 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h2w n GLN 454 N -1.43 0.62 -3.61 1.61 3.00 -1.26 -4.31 117.38 112.01 3h2w n GLN 454 Ca 0.00 0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 3h2w n GLN 454 Cb 0.12 -1.76 -0.10 0.00 0.00 0.00 0.00 30.24 28.49 3h2w n GLN 454 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3h2w n ARG 455 N -2.64 1.21 -1.80 -1.09 0.63 -1.26 -5.08 116.66 106.63 3h2w n ARG 455 Ca -0.03 -3.92 -0.29 0.00 -0.92 0.00 0.00 57.85 52.68 3h2w n ARG 455 Cb 0.62 -1.97 0.08 0.00 0.45 0.00 0.00 32.46 31.64 3h2w n ARG 455 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3h2w s PRO 456 N -0.99 2.10 -0.11 -0.14 0.04 -1.24 -0.90 135.00 133.76 3h2w s PRO 456 Ca 0.30 0.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 3h2w s PRO 456 Cb 0.03 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3h2w s PRO 456 CO -0.16 -1.53 1.18 0.08 0.04 0.00 0.00 177.00 176.61 3h2w s VAL 457 N -3.42 4.36 -0.16 -0.36 1.01 -1.13 -4.85 120.40 115.84 3h2w s VAL 457 Ca 0.61 1.66 0.10 0.00 0.00 0.00 0.00 61.98 64.35 3h2w s VAL 457 Cb -0.12 -4.07 -0.17 0.00 0.00 0.00 0.00 36.38 32.02 3h2w s VAL 457 CO 0.51 -0.06 -0.02 0.54 0.00 0.00 0.00 175.10 176.07 3h2w n ARG 458 N 5.73 1.21 -3.24 2.72 5.12 -1.26 -4.19 116.66 122.75 3h2w n ARG 458 Ca 0.12 0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 55.82 3h2w n ARG 458 Cb 0.46 -1.39 -0.06 0.00 -1.16 0.00 0.00 32.46 30.31 3h2w n ARG 458 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3h2w n HIS 459 N -2.72 2.05 -2.17 -1.55 8.25 -1.26 -4.42 115.22 113.39 3h2w n HIS 459 Ca -0.28 -3.91 -0.36 0.00 -0.26 0.00 0.00 57.72 52.92 3h2w n HIS 459 Cb 0.95 -0.47 0.01 0.00 1.12 0.00 0.00 29.99 31.60 3h2w n HIS 459 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3h2w s PRO 460 N -2.25 3.34 -1.12 -0.41 0.04 -1.26 -2.52 135.00 130.82 3h2w s PRO 460 Ca 0.40 1.74 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 3h2w s PRO 460 Cb 0.20 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 3h2w s PRO 460 CO -0.07 -0.89 1.92 1.58 0.04 0.00 0.00 177.00 179.58 3h2w n HIS 461 N -1.16 2.90 -3.60 0.56 -0.00 -0.50 -4.67 115.22 108.76 3h2w n HIS 461 Ca 0.11 -1.89 -0.25 0.00 0.46 0.00 0.00 57.72 56.15 3h2w n HIS 461 Cb 0.50 -2.39 -0.17 0.00 -0.12 0.00 0.00 29.99 27.81 3h2w n HIS 461 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3h2w s HIS 462 N 7.84 0.14 0.27 1.57 5.04 -1.26 -4.09 115.29 124.80 3h2w s HIS 462 Ca 0.62 -0.27 -0.01 0.00 -1.54 0.00 0.00 55.06 53.86 3h2w s HIS 462 Cb 0.05 -0.66 0.48 0.00 0.04 0.00 0.00 32.58 32.49 3h2w s HIS 462 CO 0.11 -0.53 1.83 0.00 -2.34 0.00 0.00 174.74 173.81 3h2w h ARG 463 N 8.41 0.90 -0.88 2.88 3.08 -1.67 -0.28 114.38 126.81 3h2w h ARG 463 Ca -0.15 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3h2w h ARG 463 Cb 1.15 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 3h2w h ARG 463 CO 0.29 0.59 0.59 -1.35 -1.07 0.00 0.00 179.97 179.02 3h2w h PRO 464 N 0.92 1.16 -0.05 0.04 0.11 -1.84 0.48 132.00 132.83 3h2w h PRO 464 Ca 0.45 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 3h2w h PRO 464 Cb 0.42 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3h2w h PRO 464 CO -0.25 0.77 -0.55 0.77 -0.21 0.00 0.00 178.00 178.53 3h2w h SER 465 N 1.19 0.15 0.07 -2.05 0.02 -1.47 -1.57 113.55 109.89 3h2w h SER 465 Ca 0.33 -0.08 -0.21 0.00 -0.84 0.00 0.00 61.79 60.99 3h2w h SER 465 Cb -0.13 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.39 3h2w h SER 465 CO -0.07 0.67 -0.86 0.58 -1.14 0.00 0.00 176.83 176.01 3h2w h VAL 466 N 0.10 1.41 0.00 2.27 2.07 -1.04 -3.40 116.25 117.66 3h2w h VAL 466 Ca -0.00 -2.32 -0.27 0.00 0.82 0.00 0.00 66.70 64.92 3h2w h VAL 466 Cb 1.00 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 3h2w h VAL 466 CO 0.08 0.68 -1.55 0.00 0.02 0.00 0.00 177.57 176.80 3h2w h ALA 467 N 0.24 0.67 -2.11 1.67 0.00 0.08 -3.45 119.26 116.37 3h2w h ALA 467 Ca -0.13 -1.34 -0.42 0.00 0.00 0.00 0.00 54.91 53.02 3h2w h ALA 467 Cb 1.59 0.35 0.21 0.00 0.00 0.00 0.00 17.79 19.94 3h2w h ALA 467 CO 0.17 1.51 -0.02 0.16 0.00 0.00 0.00 179.25 181.07 3h2w s ASP 468 N -6.25 0.43 -0.57 0.00 1.47 -0.60 -4.76 116.67 106.39 3h2w s ASP 468 Ca -0.04 1.27 0.07 0.00 1.18 0.00 0.00 52.55 55.03 3h2w s ASP 468 Cb 0.08 -1.94 0.28 0.00 -0.34 0.00 0.00 42.92 41.01 3h2w s ASP 468 CO 0.82 -4.50 0.76 0.47 0.68 0.00 0.00 175.17 173.41 3h2w n ASP 469 N -5.10 3.19 -4.05 2.11 9.92 -1.26 -4.95 116.55 116.41 3h2w n ASP 469 Ca 0.05 -3.36 -0.29 0.00 -0.53 0.00 0.00 54.79 50.66 3h2w n ASP 469 Cb 0.56 -0.63 -0.17 0.00 -0.64 0.00 0.00 41.12 40.24 3h2w n ASP 469 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3h2w s VAL 470 N -2.79 1.53 0.04 2.53 1.01 -1.26 -5.08 120.40 116.38 3h2w s VAL 470 Ca 0.42 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 3h2w s VAL 470 Cb 0.20 -1.40 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 3h2w s VAL 470 CO -0.06 0.45 1.35 0.44 0.00 0.00 0.00 175.10 177.28 3h2w h ASP 471 N 7.51 -0.79 -2.53 3.32 3.32 -1.93 -3.41 116.42 121.91 3h2w h ASP 471 Ca -0.32 0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.20 3h2w h ASP 471 Cb 1.17 0.23 0.07 0.00 0.22 0.00 0.00 39.33 41.02 3h2w h ASP 471 CO 0.50 -0.47 0.74 1.41 -1.72 0.00 0.00 179.24 179.70 3h2w n HIS 472 N -4.29 2.29 -1.70 4.55 8.25 -1.26 -4.98 115.22 118.08 3h2w n HIS 472 Ca -0.09 0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 57.40 3h2w n HIS 472 Cb 0.31 -2.52 0.09 0.00 1.12 0.00 0.00 29.99 29.00 3h2w n HIS 472 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3h2w s PRO 473 N 0.28 2.01 -0.00 -0.41 0.04 -1.26 -4.96 135.00 130.70 3h2w s PRO 473 Ca 0.73 0.40 -0.38 0.00 0.04 0.00 0.00 61.00 61.80 3h2w s PRO 473 Cb -0.65 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 31.80 3h2w s PRO 473 CO 0.43 -1.62 1.45 0.28 0.04 0.00 0.00 177.00 177.58 3h2w n VAL 474 N -3.39 0.08 -2.61 -0.36 0.31 -1.26 -4.83 118.33 106.27 3h2w n VAL 474 Ca 0.07 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 3h2w n VAL 474 Cb 0.58 -0.94 -0.01 0.00 -0.91 0.00 0.00 33.84 32.57 3h2w n VAL 474 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3h2w s PRO 475 N 1.27 3.63 0.00 5.55 0.04 -1.26 -4.34 135.00 139.89 3h2w s PRO 475 Ca 0.88 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3h2w s PRO 475 Cb -0.98 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3h2w s PRO 475 CO 0.51 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.77 3h2w n GLY 476 N -2.00 0.69 3.61 0.56 0.00 0.03 -4.71 105.19 103.38 3h2w n GLY 476 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3h2w n GLY 476 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h2w s MET 477 N -0.79 3.98 -0.16 1.61 -1.94 -1.26 -4.08 119.30 116.66 3h2w s MET 477 Ca 0.00 0.41 -0.29 0.00 -1.71 0.00 0.00 55.69 54.10 3h2w s MET 477 Cb 0.00 -3.70 -0.00 0.00 2.01 0.00 0.00 34.83 33.14 3h2w s MET 477 CO 0.00 -0.52 1.05 0.08 -0.01 0.00 0.00 175.02 175.62 3h2w s VAL 478 N 2.60 4.67 0.39 -6.03 1.01 -1.26 -1.49 120.40 120.29 3h2w s VAL 478 Ca 0.26 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 64.11 3h2w s VAL 478 Cb -0.15 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 3h2w s VAL 478 CO 0.11 -0.09 0.76 0.68 0.00 0.00 0.00 175.10 176.55 3h2w s VAL 479 N 2.67 4.79 0.21 2.92 -7.23 -0.25 -4.24 120.40 119.28 3h2w s VAL 479 Ca 0.47 0.60 -0.09 0.00 -1.81 0.00 0.00 61.98 61.16 3h2w s VAL 479 Cb -0.17 -3.73 0.15 0.00 0.56 0.00 0.00 36.38 33.19 3h2w s VAL 479 CO 0.13 -0.50 1.76 1.23 -0.31 0.00 0.00 175.10 177.41 3h2w h GLY 480 N 1.32 0.91 0.00 2.32 0.00 -1.43 -3.43 103.07 102.76 3h2w h GLY 480 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3h2w h GLY 480 CO 0.64 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.80 3h2w n GLY 481 N -1.29 0.50 3.61 4.60 0.00 -0.50 -1.25 105.19 110.85 3h2w n GLY 481 Ca 0.09 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3h2w n GLY 481 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2w n PRO 482 N -0.01 1.48 -3.44 1.61 -0.04 -1.26 -4.46 135.00 128.89 3h2w n PRO 482 Ca 0.00 0.52 -0.16 0.00 -0.04 0.00 0.00 63.50 63.82 3h2w n PRO 482 Cb 0.00 -1.99 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 3h2w n PRO 482 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3h2w s ASN 483 N -0.58 1.23 0.37 3.54 3.84 0.11 -3.97 114.94 119.49 3h2w s ASN 483 Ca 0.59 -0.28 0.28 0.00 0.21 0.00 0.00 52.86 53.66 3h2w s ASN 483 Cb -0.63 0.57 1.11 0.00 -0.55 0.00 0.00 41.25 41.76 3h2w s ASN 483 CO 0.59 -0.34 1.82 0.08 -2.79 0.00 0.00 177.10 176.46 3h2w h ARG 484 N 8.27 0.00 0.00 0.43 0.11 -1.64 -2.58 114.38 118.98 3h2w h ARG 484 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3h2w h ARG 484 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3h2w h ARG 484 CO 0.30 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.09 3h2w n HIS 485 N -2.58 0.00 -3.60 4.08 8.25 -1.26 -4.94 115.22 115.17 3h2w n HIS 485 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 3h2w n HIS 485 Cb 0.27 -0.49 0.01 0.00 1.12 0.00 0.00 29.99 30.90 3h2w n HIS 485 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h2w n LEU 486 N -1.49 -3.25 -1.79 2.41 4.77 -0.97 -4.89 117.00 111.79 3h2w n LEU 486 Ca 0.05 -0.76 -0.17 0.00 -0.03 0.00 0.00 56.01 55.10 3h2w n LEU 486 Cb 0.22 -2.19 0.18 0.00 -2.33 0.00 0.00 43.42 39.29 3h2w n LEU 486 CO 0.17 0.02 1.02 0.00 -1.33 0.00 0.00 177.39 177.27 3h2w n GLN 487 N -2.78 2.15 -3.77 3.23 6.02 -1.26 -4.34 117.38 116.62 3h2w n GLN 487 Ca -0.19 -3.15 -0.13 0.00 -0.01 0.00 0.00 57.00 53.53 3h2w n GLN 487 Cb 0.62 -2.04 -0.08 0.00 1.02 0.00 0.00 30.24 29.75 3h2w n GLN 487 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3h2w s ASP 488 N -1.94 -0.15 0.47 1.08 -4.77 -1.26 -4.60 116.67 105.50 3h2w s ASP 488 Ca 0.52 -0.02 0.19 0.00 -3.30 0.00 0.00 52.55 49.95 3h2w s ASP 488 Cb 0.45 0.31 1.19 0.00 -1.09 0.00 0.00 42.92 43.79 3h2w s ASP 488 CO 0.05 -0.49 1.96 1.05 0.70 0.00 0.00 175.17 178.44 3h2w h GLU 489 N 3.72 0.23 -0.30 2.11 4.11 -1.90 -1.38 114.58 121.17 3h2w h GLU 489 Ca -0.30 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 58.99 3h2w h GLU 489 Cb 1.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3h2w h GLU 489 CO 0.42 0.15 -0.31 0.82 0.07 0.00 0.00 179.01 180.16 3h2w h ILE 490 N 0.24 1.28 0.12 -1.06 1.08 -1.97 -1.05 117.51 116.16 3h2w h ILE 490 Ca 0.31 -1.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.34 3h2w h ILE 490 Cb 0.88 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 3h2w h ILE 490 CO -0.06 0.46 -0.06 0.00 -0.69 0.00 0.00 178.15 177.80 3h2w h ALA 491 N 1.11 -0.16 -0.90 1.87 0.00 -1.62 -2.26 119.26 117.29 3h2w h ALA 491 Ca 0.06 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 54.94 3h2w h ALA 491 Cb 0.81 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.49 3h2w h ALA 491 CO 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 179.25 178.94 3h2w h ARG 492 N -0.74 0.03 0.49 0.00 3.08 -1.46 0.27 114.38 116.04 3h2w h ARG 492 Ca -0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3h2w h ARG 492 Cb 0.54 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3h2w h ARG 492 CO 0.03 0.02 -0.32 0.00 -1.07 0.00 0.00 179.97 178.63 3h2w h ALA 493 N 1.89 -1.12 0.00 0.04 0.00 -1.12 -3.33 119.26 115.62 3h2w h ALA 493 Ca 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3h2w h ALA 493 Cb 0.89 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h2w h ALA 493 CO -0.86 -1.10 -0.80 1.96 0.00 0.00 0.00 179.25 178.45 3h2w h GLN 494 N -0.76 0.00 -0.00 0.00 1.08 -1.04 -3.40 115.11 110.99 3h2w h GLN 494 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3h2w h GLN 494 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3h2w h GLN 494 CO 0.05 0.00 -0.09 1.28 -0.95 0.00 0.00 178.83 179.13 3h2w n LEU 495 N -2.27 0.57 -4.67 1.46 4.77 0.90 -4.99 117.00 112.78 3h2w n LEU 495 Ca 0.02 -0.69 -0.50 0.00 -0.03 0.00 0.00 56.01 54.81 3h2w n LEU 495 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3h2w n LEU 495 CO 0.38 0.13 1.31 0.00 -1.33 0.00 0.00 177.39 177.88 3h2w n ALA 496 N -0.59 0.52 -0.00 -1.18 0.00 -1.25 -1.85 120.51 116.15 3h2w n ALA 496 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3h2w n ALA 496 Cb 0.06 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.16 3h2w n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2w n GLY 497 N 3.89 0.06 3.79 0.00 0.00 -1.26 -5.07 105.19 106.60 3h2w n GLY 497 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3h2w n GLY 497 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h2w s ARG 498 N -1.00 4.54 0.92 1.61 3.00 -0.77 -5.04 118.95 122.20 3h2w s ARG 498 Ca 0.00 1.23 -0.12 0.00 0.00 0.00 0.00 55.73 56.84 3h2w s ARG 498 Cb 0.00 -2.89 0.08 0.00 0.00 0.00 0.00 34.95 32.13 3h2w s ARG 498 CO 0.00 0.35 0.75 -0.35 0.00 0.00 0.00 175.30 176.05 3h2w n PRO 499 N 0.76 -0.28 -0.14 3.54 -0.04 -1.26 -4.72 135.00 132.85 3h2w n PRO 499 Ca 0.00 -0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 3h2w n PRO 499 Cb 0.50 -2.10 0.02 0.00 -0.04 0.00 0.00 33.50 31.89 3h2w n PRO 499 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h2w h ALA 500 N -1.57 0.25 0.00 0.55 0.00 -1.96 -0.87 119.26 115.66 3h2w h ALA 500 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3h2w h ALA 500 Cb 1.28 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3h2w h ALA 500 CO 0.38 -0.48 0.00 0.52 0.00 0.00 0.00 179.25 179.67 3h2w h MET 501 N -0.04 0.00 -0.17 0.00 2.86 -1.90 -1.38 114.93 114.30 3h2w h MET 501 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3h2w h MET 501 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3h2w h MET 501 CO -0.49 0.00 0.00 0.39 1.06 0.00 0.00 176.91 177.87 3h2w n GLU 502 N -2.75 2.28 -1.01 1.72 1.02 -0.35 -4.62 120.64 116.93 3h2w n GLU 502 Ca -0.00 -1.90 -0.26 0.00 -0.02 0.00 0.00 57.16 54.99 3h2w n GLU 502 Cb 0.20 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 3h2w n GLU 502 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h2w n ALA 503 N 1.20 6.18 -3.59 0.62 0.00 -0.52 -4.76 120.51 119.64 3h2w n ALA 503 Ca 0.17 -2.51 -0.13 0.00 0.00 0.00 0.00 53.44 50.96 3h2w n ALA 503 Cb 0.56 -2.95 -0.13 0.00 0.00 0.00 0.00 19.45 16.92 3h2w n ALA 503 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3h2w s TYR 504 N 2.25 -0.23 -0.06 0.00 5.04 -1.26 0.07 117.35 123.16 3h2w s TYR 504 Ca 0.58 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 3h2w s TYR 504 Cb 0.19 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.50 3h2w s TYR 504 CO -0.03 -0.18 -0.12 -1.50 -1.34 0.00 0.00 175.55 172.38 3h2w s ILE 505 N 0.98 1.10 -1.23 3.14 2.07 -1.26 -5.01 121.20 120.99 3h2w s ILE 505 Ca -0.07 -0.47 -0.19 0.00 -1.41 0.00 0.00 60.65 58.50 3h2w s ILE 505 Cb -0.09 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.55 3h2w s ILE 505 CO -0.06 0.34 1.68 -0.62 -1.91 0.00 0.00 174.94 174.38 3h2w s ASP 506 N 0.60 6.66 -0.03 4.50 2.15 -1.26 -4.55 116.67 124.74 3h2w s ASP 506 Ca -0.13 -2.16 -0.05 0.00 0.43 0.00 0.00 52.55 50.63 3h2w s ASP 506 Cb -0.15 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 3h2w s ASP 506 CO 0.03 -1.35 0.13 -2.28 -0.17 0.00 0.00 175.17 171.53 3h2w s HIS 507 N 4.77 -0.08 -0.56 -5.34 2.46 -1.25 -4.67 115.29 110.63 3h2w s HIS 507 Ca 0.53 0.19 0.26 0.00 0.47 0.00 0.00 55.06 56.50 3h2w s HIS 507 Cb 0.03 0.01 0.79 0.00 -0.13 0.00 0.00 32.58 33.28 3h2w s HIS 507 CO 0.04 -0.14 1.75 -0.56 -2.47 0.00 0.00 174.74 173.36 3h2w h GLN 508 N 5.42 0.00 0.00 2.88 3.07 -1.76 -2.77 115.11 121.96 3h2w h GLN 508 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.45 3h2w h GLN 508 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.76 3h2w h GLN 508 CO 0.42 0.00 -1.30 -0.25 0.09 0.00 0.00 178.83 177.79 3h2w n ASP 509 N -2.50 0.63 -4.58 0.06 8.00 -1.26 -3.97 116.55 112.93 3h2w n ASP 509 Ca 0.04 0.25 -0.32 0.00 0.71 0.00 0.00 54.79 55.47 3h2w n ASP 509 Cb 0.40 0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 42.26 3h2w n ASP 509 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h2w s SER 510 N -5.19 5.51 0.27 -2.24 0.15 -1.04 -4.74 113.70 106.42 3h2w s SER 510 Ca -0.03 -1.77 0.12 0.00 0.70 0.00 0.00 55.95 54.97 3h2w s SER 510 Cb 0.10 -2.58 0.33 0.00 -1.71 0.00 0.00 66.02 62.16 3h2w s SER 510 CO 0.82 -2.56 1.59 0.10 1.20 0.00 0.00 173.24 174.39 3h2w h TYR 511 N 9.33 0.00 0.00 3.44 -0.00 -1.84 0.43 116.97 128.33 3h2w h TYR 511 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.99 3h2w h TYR 511 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.66 3h2w h TYR 511 CO 1.26 0.62 0.00 -1.13 -0.00 0.00 0.00 178.16 178.91 3h2w n SER 512 N -3.66 0.70 0.00 0.10 3.41 -1.26 -3.54 113.62 109.37 3h2w n SER 512 Ca -0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3h2w n SER 512 Cb 0.64 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3h2w n SER 512 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h2w n THR 513 N -2.21 0.00 -1.48 6.66 -2.24 -1.17 -4.47 114.28 109.37 3h2w n THR 513 Ca 0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 3h2w n THR 513 Cb 0.34 -0.17 0.12 0.00 -2.10 0.00 0.00 70.33 68.52 3h2w n THR 513 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3h2w n ASN 514 N -1.39 1.66 -4.47 3.42 5.15 0.15 -1.41 115.26 118.37 3h2w n ASN 514 Ca 0.00 -2.98 -0.29 0.00 -0.60 0.00 0.00 54.58 50.71 3h2w n ASN 514 Cb 0.18 -0.40 0.14 0.00 -0.53 0.00 0.00 39.78 39.18 3h2w n ASN 514 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3h2w s GLU 515 N -2.18 1.24 0.20 1.20 2.12 -1.23 -1.41 118.70 118.64 3h2w s GLU 515 Ca 0.28 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.45 3h2w s GLU 515 Cb 0.26 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.69 3h2w s GLU 515 CO -0.01 -2.03 -0.15 0.14 -0.54 0.00 0.00 175.26 172.67 3h2w s VAL 516 N -3.72 1.80 -0.20 3.70 -7.23 -1.26 -1.71 120.40 111.78 3h2w s VAL 516 Ca 0.69 -2.17 -0.25 0.00 -1.81 0.00 0.00 61.98 58.43 3h2w s VAL 516 Cb -0.07 -2.02 0.07 0.00 0.56 0.00 0.00 36.38 34.91 3h2w s VAL 516 CO 0.51 -0.53 0.68 0.00 -0.31 0.00 0.00 175.10 175.44 3h2w s ALA 517 N -2.78 -1.69 0.41 1.32 0.00 -1.26 -3.07 121.76 114.69 3h2w s ALA 517 Ca 0.22 1.75 0.09 0.00 0.00 0.00 0.00 51.96 54.02 3h2w s ALA 517 Cb -0.02 -0.83 0.88 0.00 0.00 0.00 0.00 23.12 23.15 3h2w s ALA 517 CO 0.07 -0.33 2.02 -0.39 0.00 0.00 0.00 175.76 177.13 3h2w h VAL 518 N 3.80 1.03 -0.10 0.00 -1.51 -1.33 0.51 116.25 118.66 3h2w h VAL 518 Ca -0.28 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3h2w h VAL 518 Cb 1.16 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3h2w h VAL 518 CO 0.15 0.10 0.00 0.00 -1.23 0.00 0.00 177.57 176.60 3h2w n TYR 519 N -4.47 0.12 -0.10 5.19 0.18 -1.26 -1.64 117.16 115.17 3h2w n TYR 519 Ca 0.06 -0.06 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 3h2w n TYR 519 Cb 0.17 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.02 3h2w n TYR 519 CO 0.00 0.00 0.00 0.91 -2.08 0.00 0.00 176.86 175.69 3h2w n TRP 520 N -0.17 0.42 -0.23 -3.48 8.01 0.10 -4.38 117.44 117.70 3h2w n TRP 520 Ca 0.14 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 3h2w n TRP 520 Cb 0.20 -1.05 0.23 0.00 -2.01 0.00 0.00 31.31 28.68 3h2w n TRP 520 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3h2w h ASN 521 N -0.46 0.89 -0.08 -0.99 -0.26 -1.38 -3.22 115.58 110.08 3h2w h ASN 521 Ca -0.55 -0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.17 3h2w h ASN 521 Cb 1.74 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.77 3h2w h ASN 521 CO -0.18 0.66 0.01 0.77 -1.06 0.00 0.00 177.43 177.63 3h2w h SER 522 N 1.05 -0.01 0.73 5.81 4.64 -1.51 0.15 113.55 124.40 3h2w h SER 522 Ca 0.28 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 3h2w h SER 522 Cb -0.10 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3h2w h SER 522 CO -0.06 0.01 -0.26 1.55 -0.87 0.00 0.00 176.83 177.20 3h2w h PRO 523 N 0.04 0.00 -0.10 4.77 0.13 -1.78 -2.68 132.00 132.39 3h2w h PRO 523 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 3h2w h PRO 523 Cb 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 3h2w h PRO 523 CO -0.05 0.26 0.03 0.00 -0.23 0.00 0.00 178.00 178.01 3h2w h ALA 524 N 1.74 0.12 -0.65 -0.56 0.00 -1.29 -0.69 119.26 117.93 3h2w h ALA 524 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3h2w h ALA 524 Cb 0.70 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3h2w h ALA 524 CO 0.03 -0.28 0.13 0.28 0.00 0.00 0.00 179.25 179.42 3h2w h VAL 525 N -0.02 0.58 0.07 0.00 2.07 -0.72 -0.13 116.25 118.10 3h2w h VAL 525 Ca 0.03 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3h2w h VAL 525 Cb 0.19 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3h2w h VAL 525 CO -0.00 0.05 -0.03 0.15 0.02 0.00 0.00 177.57 177.75 3h2w h PHE 526 N 0.25 -0.09 -0.26 1.57 3.57 -1.13 -0.30 116.94 120.55 3h2w h PHE 526 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3h2w h PHE 526 Cb 0.55 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3h2w h PHE 526 CO -0.27 -0.03 0.11 0.28 -2.23 0.00 0.00 178.31 176.18 3h2w h VAL 527 N -0.12 1.17 -0.04 1.41 2.07 -0.54 0.33 116.25 120.54 3h2w h VAL 527 Ca -0.01 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3h2w h VAL 527 Cb 0.10 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3h2w h VAL 527 CO 0.02 0.17 -0.01 0.40 0.02 0.00 0.00 177.57 178.17 3h2w h ILE 528 N 0.28 1.29 -0.96 4.57 1.08 -0.99 -2.15 117.51 120.63 3h2w h ILE 528 Ca 0.09 -0.89 0.20 0.00 -0.39 0.00 0.00 64.86 63.87 3h2w h ILE 528 Cb 0.17 1.82 -0.18 0.00 -3.07 0.00 0.00 36.82 35.56 3h2w h ILE 528 CO -0.01 0.24 -0.22 0.00 -0.69 0.00 0.00 178.15 177.47 3h2w n ALA 529 N -2.30 0.25 -0.30 1.87 0.00 -0.13 -1.07 120.51 118.84 3h2w n ALA 529 Ca -0.07 1.05 0.04 0.00 0.00 0.00 0.00 53.44 54.45 3h2w n ALA 529 Cb 0.21 -0.64 0.23 0.00 0.00 0.00 0.00 19.45 19.25 3h2w n ALA 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h2w h ALA 530 N 1.92 1.50 0.03 0.00 0.00 -0.28 -2.87 119.26 119.55 3h2w h ALA 530 Ca 0.47 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 3h2w h ALA 530 Cb 0.74 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3h2w h ALA 530 CO -0.98 0.37 -0.81 -0.07 0.00 0.00 0.00 179.25 177.77 3h2w h LEU 531 N 1.05 0.66 -0.47 0.00 3.38 -0.74 -3.22 115.31 115.97 3h2w h LEU 531 Ca 0.38 -0.78 0.09 0.00 0.09 0.00 0.00 57.88 57.67 3h2w h LEU 531 Cb 0.17 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 3h2w h LEU 531 CO -0.14 1.36 -0.09 -0.07 0.09 0.00 0.00 178.44 179.59 3h2w h LEU 532 N 0.04 -0.39 -6.03 1.67 3.38 -1.15 -2.46 115.31 110.38 3h2w h LEU 532 Ca -0.11 0.13 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 3h2w h LEU 532 Cb 1.51 0.27 0.03 0.00 0.09 0.00 0.00 40.66 42.56 3h2w h LEU 532 CO 0.16 -0.14 1.77 1.21 0.09 0.00 0.00 178.44 181.53 3h2w n GLU 533 N -5.32 0.90 0.00 1.13 4.07 -1.09 -4.99 120.64 115.34 3h2w n GLU 533 Ca 0.04 -1.08 0.10 0.00 -0.06 0.00 0.00 57.16 56.16 3h2w n GLU 533 Cb 0.25 -2.35 0.61 0.00 -0.06 0.00 0.00 31.44 29.89 3h2w n GLU 533 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07