#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3u n PRO 27 N 0.00 -0.64 -1.00 1.43 -0.04 -1.26 -4.96 135.00 128.53 2a3u n PRO 27 Ca 0.00 -1.59 -0.32 0.00 -0.04 0.00 0.00 63.50 61.55 2a3u n PRO 27 Cb 0.00 -0.83 0.13 0.00 -0.04 0.00 0.00 33.50 32.76 2a3u n PRO 27 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a3u s GLN 28 N -4.85 1.54 0.14 0.54 -1.52 -1.26 -4.64 119.66 109.60 2a3u s GLN 28 Ca 0.52 1.55 -0.24 0.00 -1.95 0.00 0.00 55.36 55.23 2a3u s GLN 28 Cb -0.02 -1.79 -0.00 0.00 -0.22 0.00 0.00 33.01 30.99 2a3u s GLN 28 CO 0.36 -2.25 1.62 -1.35 -0.25 0.00 0.00 175.29 173.42 2a3u h PRO 29 N -1.31 -0.31 -0.37 2.91 0.11 -1.93 -0.70 132.00 130.40 2a3u h PRO 29 Ca -0.44 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2a3u h PRO 29 Cb 1.27 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 2a3u h PRO 29 CO 0.45 -0.21 0.07 -0.07 -0.21 0.00 0.00 178.00 178.04 2a3u h LEU 30 N -0.32 0.51 -0.56 2.35 3.38 -1.98 -0.04 115.31 118.65 2a3u h LEU 30 Ca 0.11 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2a3u h LEU 30 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2a3u h LEU 30 CO -0.35 0.53 -0.27 -0.33 0.09 0.00 0.00 178.44 178.11 2a3u h GLU 31 N 0.54 0.87 -0.38 1.13 4.39 -1.81 -1.83 114.58 117.48 2a3u h GLU 31 Ca 0.12 -0.39 -0.14 0.00 0.34 0.00 0.00 59.36 59.29 2a3u h GLU 31 Cb 0.24 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2a3u h GLU 31 CO -0.00 1.03 -0.32 0.37 -1.16 0.00 0.00 179.01 178.93 2a3u h GLN 32 N 0.74 0.86 -0.61 2.33 5.75 -0.53 -1.18 115.11 122.46 2a3u h GLN 32 Ca 0.09 -0.41 0.01 0.00 -0.15 0.00 0.00 58.65 58.19 2a3u h GLN 32 Cb 0.83 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.34 2a3u h GLN 32 CO 0.07 1.05 0.40 0.82 -2.65 0.00 0.00 178.83 178.53 2a3u h ILE 33 N 0.72 1.15 -0.50 2.39 2.04 -0.84 -0.24 117.51 122.23 2a3u h ILE 33 Ca 0.07 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2a3u h ILE 33 Cb 0.89 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2a3u h ILE 33 CO 0.08 0.15 0.19 0.11 0.00 0.00 0.00 178.15 178.68 2a3u h LYS 34 N 0.82 0.75 -0.80 2.37 1.57 -1.16 -1.98 116.57 118.14 2a3u h LYS 34 Ca 0.23 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2a3u h LYS 34 Cb -0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 2a3u h LYS 34 CO -0.05 0.67 0.53 1.25 -0.57 0.00 0.00 179.45 181.27 2a3u h LEU 35 N 0.67 0.87 -0.68 2.94 5.85 -0.74 -1.62 115.31 122.59 2a3u h LEU 35 Ca 0.17 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2a3u h LEU 35 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2a3u h LEU 35 CO -0.01 0.61 0.19 0.28 -0.34 0.00 0.00 178.44 179.16 2a3u h SER 36 N 1.01 1.01 -0.63 1.25 0.02 -0.33 -0.01 113.55 115.88 2a3u h SER 36 Ca 0.31 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2a3u h SER 36 Cb -0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2a3u h SER 36 CO -0.08 0.97 0.29 -0.33 -1.14 0.00 0.00 176.83 176.54 2a3u h GLU 37 N 1.01 0.91 -0.52 3.45 5.08 -0.83 0.35 114.58 124.04 2a3u h GLU 37 Ca 0.22 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2a3u h GLU 37 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2a3u h GLU 37 CO -0.00 0.74 0.29 1.03 -1.00 0.00 0.00 179.01 180.06 2a3u h SER 38 N 0.87 0.64 0.20 1.42 0.87 -0.95 0.22 113.55 116.82 2a3u h SER 38 Ca 0.21 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.50 2a3u h SER 38 Cb 0.13 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2a3u h SER 38 CO -0.03 0.55 -0.74 1.56 -0.53 0.00 0.00 176.83 177.64 2a3u h GLN 39 N 0.69 0.46 0.00 2.24 4.20 -0.81 -3.30 115.11 118.58 2a3u h GLN 39 Ca 0.18 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2a3u h GLN 39 Cb 0.04 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2a3u h GLN 39 CO -0.03 1.01 -0.69 -0.07 -0.67 0.00 0.00 178.83 178.38 2a3u h LEU 40 N 0.31 0.00 1.95 1.46 3.38 -0.83 -3.48 115.31 118.10 2a3u h LEU 40 Ca -0.03 -0.07 -0.38 0.00 0.09 0.00 0.00 57.88 57.48 2a3u h LEU 40 Cb 1.32 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 2a3u h LEU 40 CO 0.13 0.03 -0.43 -1.20 0.09 0.00 0.00 178.44 177.06 2a3u n SER 41 N -2.55 -5.41 -4.35 -0.43 7.64 0.75 -4.22 113.62 105.05 2a3u n SER 41 Ca 0.02 0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.83 2a3u n SER 41 Cb 0.51 -4.51 -0.09 0.00 -1.01 0.00 0.00 64.21 59.11 2a3u n SER 41 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2a3u s GLY 42 N -2.42 2.55 -0.03 0.23 0.00 -1.20 -4.64 107.32 101.82 2a3u s GLY 42 Ca 0.00 -1.34 -0.16 0.00 0.00 0.00 0.00 44.72 43.22 2a3u s GLY 42 CO 0.00 -1.91 0.43 0.50 0.00 0.00 0.00 173.10 172.12 2a3u s ARG 43 N -3.79 4.06 -0.05 2.90 0.52 -0.60 -4.50 118.95 117.48 2a3u s ARG 43 Ca 0.24 0.44 0.05 0.00 -0.52 0.00 0.00 55.73 55.93 2a3u s ARG 43 Cb 0.04 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2a3u s ARG 43 CO 0.13 0.54 -0.19 0.08 0.02 0.00 0.00 175.30 175.88 2a3u s VAL 44 N -0.62 2.64 -0.07 3.52 1.01 -1.26 -1.10 120.40 124.53 2a3u s VAL 44 Ca 0.24 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2a3u s VAL 44 Cb -0.16 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2a3u s VAL 44 CO 0.13 0.58 -0.21 -0.83 0.00 0.00 0.00 175.10 174.77 2a3u s GLY 45 N -0.46 1.13 -0.11 4.51 0.00 0.85 -4.61 107.32 108.62 2a3u s GLY 45 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.80 2a3u s GLY 45 CO 0.01 -0.36 0.37 -0.29 0.00 0.00 0.00 173.10 172.83 2a3u s MET 46 N 0.16 0.51 -0.01 2.90 0.00 -0.03 -0.56 119.30 122.27 2a3u s MET 46 Ca -0.10 0.36 0.01 0.00 0.00 0.00 0.00 55.69 55.96 2a3u s MET 46 Cb -0.15 0.24 -0.00 0.00 0.00 0.00 0.00 34.83 34.92 2a3u s MET 46 CO 0.05 -0.09 -0.04 0.42 0.00 0.00 0.00 175.02 175.36 2a3u s ILE 47 N -0.18 0.31 -0.15 10.11 -1.09 -0.50 -1.27 121.20 128.43 2a3u s ILE 47 Ca -0.03 -0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 2a3u s ILE 47 Cb -0.03 -0.27 0.02 0.00 -1.58 0.00 0.00 42.46 40.59 2a3u s ILE 47 CO 0.02 0.09 -0.16 -0.70 -1.23 0.00 0.00 174.94 172.96 2a3u s GLU 48 N -0.00 2.50 -0.01 2.79 2.12 -0.57 -1.22 118.70 124.31 2a3u s GLU 48 Ca 0.01 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.71 2a3u s GLU 48 Cb -0.03 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.14 2a3u s GLU 48 CO -0.00 -0.21 -0.05 1.41 -0.54 0.00 0.00 175.26 175.87 2a3u s MET 49 N 1.39 0.44 0.11 4.30 1.75 0.23 -0.49 119.30 127.02 2a3u s MET 49 Ca 0.04 -0.15 -0.31 0.00 -1.25 0.00 0.00 55.69 54.02 2a3u s MET 49 Cb -0.13 -0.44 -0.08 0.00 2.84 0.00 0.00 34.83 37.01 2a3u s MET 49 CO -0.11 0.07 1.52 0.34 -0.65 0.00 0.00 175.02 176.19 2a3u s ASP 50 N 0.08 6.69 0.15 1.11 -1.08 -0.04 0.00 116.67 123.58 2a3u s ASP 50 Ca -0.00 2.44 -0.11 0.00 -0.52 0.00 0.00 52.55 54.36 2a3u s ASP 50 Cb -0.04 -2.58 0.01 0.00 -1.46 0.00 0.00 42.92 38.85 2a3u s ASP 50 CO -0.00 -0.78 1.58 0.25 0.52 0.00 0.00 175.17 176.73 2a3u h LEU 51 N 7.43 0.93 -0.48 -1.34 5.85 -1.39 0.29 115.31 126.59 2a3u h LEU 51 Ca -0.42 -0.35 -0.16 0.00 0.84 0.00 0.00 57.88 57.79 2a3u h LEU 51 Cb 1.20 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2a3u h LEU 51 CO 0.90 1.05 -0.50 0.00 -0.34 0.00 0.00 178.44 179.56 2a3u h ALA 52 N 0.90 0.66 0.00 1.25 0.00 -1.88 -3.37 119.26 116.82 2a3u h ALA 52 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2a3u h ALA 52 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2a3u h ALA 52 CO 0.04 0.68 -1.48 -1.13 0.00 0.00 0.00 179.25 177.36 2a3u n SER 53 N -4.00 2.46 0.00 0.00 3.41 -1.23 -5.00 113.62 109.27 2a3u n SER 53 Ca -0.03 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2a3u n SER 53 Cb 0.58 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 66.02 2a3u n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a3u n GLY 54 N 1.87 0.78 3.67 5.00 0.00 0.09 -5.02 105.19 111.58 2a3u n GLY 54 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 2a3u n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2a3u n ARG 55 N -2.13 2.14 -3.03 1.61 0.63 -1.26 -4.65 116.66 109.97 2a3u n ARG 55 Ca 0.00 0.78 -0.41 0.00 -0.92 0.00 0.00 57.85 57.30 2a3u n ARG 55 Cb 0.00 -2.59 -0.05 0.00 0.45 0.00 0.00 32.46 30.27 2a3u n ARG 55 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2a3u s THR 56 N 2.67 4.96 -0.23 5.15 2.01 -1.26 -0.86 115.64 128.08 2a3u s THR 56 Ca 0.87 1.35 -0.10 0.00 0.31 0.00 0.00 61.69 64.12 2a3u s THR 56 Cb -0.69 -4.01 -0.18 0.00 0.01 0.00 0.00 72.50 67.62 2a3u s THR 56 CO 0.46 0.07 -0.06 0.18 -0.69 0.00 0.00 174.62 174.57 2a3u n LEU 57 N 5.22 2.37 -4.01 4.42 4.32 0.35 -4.97 117.00 124.70 2a3u n LEU 57 Ca 0.01 0.19 -0.20 0.00 -0.02 0.00 0.00 56.01 55.99 2a3u n LEU 57 Cb 0.49 -0.94 -0.15 0.00 -1.62 0.00 0.00 43.42 41.20 2a3u n LEU 57 CO 0.45 0.68 -0.44 -0.89 -1.22 0.00 0.00 177.39 175.97 2a3u s THR 58 N -2.49 0.77 -0.07 -5.08 2.01 -1.16 -4.98 115.64 104.64 2a3u s THR 58 Ca -0.32 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 2a3u s THR 58 Cb 0.10 -0.68 0.04 0.00 0.01 0.00 0.00 72.50 71.97 2a3u s THR 58 CO 0.60 0.24 0.13 0.00 -0.69 0.00 0.00 174.62 174.90 2a3u s ALA 59 N 0.08 -0.09 -0.07 7.40 0.00 -1.26 -1.50 121.76 126.31 2a3u s ALA 59 Ca -0.01 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2a3u s ALA 59 Cb -0.07 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.38 2a3u s ALA 59 CO 0.00 -0.46 0.02 -0.46 0.00 0.00 0.00 175.76 174.86 2a3u s TRP 60 N 2.03 0.54 -1.58 0.00 -0.11 -0.40 -4.77 118.94 114.65 2a3u s TRP 60 Ca 0.01 -0.09 -0.16 0.00 1.22 0.00 0.00 56.10 57.08 2a3u s TRP 60 Cb -0.12 -0.74 0.12 0.00 -1.50 0.00 0.00 33.47 31.24 2a3u s TRP 60 CO -0.05 -0.31 0.81 0.54 -4.62 0.00 0.00 176.95 173.32 2a3u n ARG 61 N 5.18 -3.98 0.19 5.86 1.74 -1.26 -0.85 116.66 123.55 2a3u n ARG 61 Ca -0.06 0.46 0.14 0.00 -0.77 0.00 0.00 57.85 57.62 2a3u n ARG 61 Cb 0.50 -5.25 0.58 0.00 -1.02 0.00 0.00 32.46 27.27 2a3u n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a3u h ALA 62 N 0.94 1.00 -0.45 7.54 0.00 -1.86 -2.46 119.26 123.98 2a3u h ALA 62 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2a3u h ALA 62 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2a3u h ALA 62 CO 0.70 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.70 2a3u n ASP 63 N -2.60 3.25 -4.89 0.00 8.00 -1.26 -1.22 116.55 117.84 2a3u n ASP 63 Ca 0.01 -2.04 -0.32 0.00 0.71 0.00 0.00 54.79 53.15 2a3u n ASP 63 Cb 0.26 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 2a3u n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a3u s GLU 64 N -1.08 3.70 0.21 -1.24 2.02 -0.93 -4.98 118.70 116.41 2a3u s GLU 64 Ca 0.31 0.07 -0.27 0.00 0.02 0.00 0.00 54.97 55.10 2a3u s GLU 64 Cb 0.17 -2.75 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 2a3u s GLU 64 CO 0.20 0.39 0.85 1.03 0.02 0.00 0.00 175.26 177.76 2a3u s ARG 65 N -2.75 4.66 0.01 1.61 0.52 -1.26 -4.16 118.95 117.58 2a3u s ARG 65 Ca 0.44 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 2a3u s ARG 65 Cb -0.12 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.15 2a3u s ARG 65 CO 0.23 0.51 -0.03 -0.06 0.02 0.00 0.00 175.30 175.98 2a3u s PHE 66 N -1.23 0.22 0.22 -0.53 0.40 -0.15 -4.97 117.98 111.94 2a3u s PHE 66 Ca 0.40 -0.34 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 2a3u s PHE 66 Cb -0.23 -0.15 -0.10 0.00 0.51 0.00 0.00 43.02 43.04 2a3u s PHE 66 CO 0.28 -0.11 1.53 -2.14 0.70 0.00 0.00 175.22 175.47 2a3u s PRO 67 N -0.94 4.22 0.24 0.24 0.02 -1.26 -1.42 135.00 136.10 2a3u s PRO 67 Ca -0.10 2.38 0.05 0.00 0.02 0.00 0.00 61.00 63.36 2a3u s PRO 67 Cb -0.06 -3.11 0.26 0.00 0.02 0.00 0.00 34.50 31.61 2a3u s PRO 67 CO -0.01 -0.54 1.57 0.52 -0.33 0.00 0.00 177.00 178.21 2a3u h MET 68 N 5.72 0.22 0.00 5.54 2.86 -1.63 -3.46 114.93 124.17 2a3u h MET 68 Ca -0.45 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2a3u h MET 68 Cb 1.21 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2a3u h MET 68 CO 0.84 0.75 0.00 -1.33 1.06 0.00 0.00 176.91 178.23 2a3u n MET 69 N -3.87 0.00 0.00 1.72 2.81 -1.26 -1.78 117.12 114.74 2a3u n MET 69 Ca -0.02 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.92 2a3u n MET 69 Cb 0.61 0.00 0.27 0.00 -0.71 0.00 0.00 33.22 33.39 2a3u n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2a3u n SER 70 N -1.90 0.00 0.20 7.83 7.64 -1.26 -2.40 113.62 123.73 2a3u n SER 70 Ca 0.00 0.29 0.14 0.00 1.01 0.00 0.00 58.87 60.32 2a3u n SER 70 Cb 0.00 -0.38 0.67 0.00 -1.01 0.00 0.00 64.21 63.49 2a3u n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2a3u h THR 71 N 0.00 0.00 0.00 0.44 1.35 -1.46 -1.99 112.91 111.24 2a3u h THR 71 Ca 0.00 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2a3u h THR 71 Cb 0.15 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2a3u h THR 71 CO 0.00 0.00 -0.01 2.19 -0.25 0.00 0.00 175.52 177.45 2a3u h PHE 72 N 0.00 0.00 0.00 4.73 -5.15 -1.63 -2.81 116.94 112.09 2a3u h PHE 72 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 2a3u h PHE 72 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.41 2a3u h PHE 72 CO 0.00 0.01 -0.08 0.87 -2.00 0.00 0.00 178.31 177.11 2a3u h LYS 73 N 0.00 0.00 -0.18 6.09 1.57 -1.62 -0.73 116.57 121.70 2a3u h LYS 73 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2a3u h LYS 73 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2a3u h LYS 73 CO 0.00 0.08 -0.14 0.28 -0.57 0.00 0.00 179.45 179.10 2a3u h VAL 74 N 0.00 1.33 -0.70 0.50 2.07 -1.73 -2.31 116.25 115.41 2a3u h VAL 74 Ca -0.00 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 2a3u h VAL 74 Cb 0.17 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2a3u h VAL 74 CO 0.01 0.38 0.28 0.58 0.02 0.00 0.00 177.57 178.84 2a3u h VAL 75 N 0.07 1.25 -0.44 2.57 2.07 -1.51 -1.77 116.25 118.48 2a3u h VAL 75 Ca 0.03 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.87 2a3u h VAL 75 Cb 0.66 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2a3u h VAL 75 CO 0.04 0.31 -0.10 0.25 0.02 0.00 0.00 177.57 178.09 2a3u h LEU 76 N 1.00 -0.39 -1.04 2.57 5.85 -1.14 -1.38 115.31 120.79 2a3u h LEU 76 Ca 0.23 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 2a3u h LEU 76 Cb 0.21 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2a3u h LEU 76 CO -0.02 -0.14 -0.12 0.00 -0.34 0.00 0.00 178.44 177.82 2a3u h GLY 78 N 2.40 0.88 1.11 0.00 0.00 -0.41 -0.28 103.07 106.76 2a3u h GLY 78 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 2a3u h GLY 78 CO 0.02 0.63 -0.23 0.00 0.00 0.00 0.00 176.54 176.96 2a3u h ALA 79 N 1.12 0.66 -0.40 3.60 0.00 -0.38 -1.48 119.26 122.37 2a3u h ALA 79 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2a3u h ALA 79 Cb 0.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2a3u h ALA 79 CO 0.04 0.66 0.25 0.28 0.00 0.00 0.00 179.25 180.49 2a3u h VAL 80 N 0.84 1.12 -0.37 0.00 2.07 -1.12 -2.22 116.25 116.57 2a3u h VAL 80 Ca 0.10 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2a3u h VAL 80 Cb 0.81 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2a3u h VAL 80 CO 0.07 0.12 0.10 -0.07 0.02 0.00 0.00 177.57 177.81 2a3u h LEU 81 N 0.54 0.50 -0.82 2.57 3.38 -0.84 -0.96 115.31 119.67 2a3u h LEU 81 Ca 0.15 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2a3u h LEU 81 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2a3u h LEU 81 CO -0.03 0.50 0.28 0.00 0.09 0.00 0.00 178.44 179.28 2a3u h ALA 82 N 1.58 1.05 -0.52 1.53 0.00 -0.87 0.26 119.26 122.28 2a3u h ALA 82 Ca 0.13 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2a3u h ALA 82 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2a3u h ALA 82 CO -0.00 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.92 2a3u h ARG 83 N 1.12 0.88 -0.34 0.00 3.08 -0.72 -1.56 114.38 116.84 2a3u h ARG 83 Ca 0.25 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2a3u h ARG 83 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2a3u h ARG 83 CO -0.02 0.86 0.13 0.28 -1.07 0.00 0.00 179.97 180.15 2a3u h VAL 84 N 0.82 1.20 -0.88 2.04 2.07 -0.55 0.66 116.25 121.60 2a3u h VAL 84 Ca 0.16 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2a3u h VAL 84 Cb 0.46 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2a3u h VAL 84 CO 0.02 0.21 0.58 0.44 0.02 0.00 0.00 177.57 178.84 2a3u h ASP 85 N 0.41 0.93 0.73 0.57 3.32 -0.66 -0.54 116.42 121.18 2a3u h ASP 85 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2a3u h ASP 85 Cb 0.21 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2a3u h ASP 85 CO -0.01 0.64 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 2a3u n ALA 86 N -2.40 2.14 -0.76 3.45 0.00 -0.61 -4.90 120.51 117.43 2a3u n ALA 86 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2a3u n ALA 86 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2a3u n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3u n GLY 87 N 0.93 0.60 0.82 0.00 0.00 -0.21 -4.93 105.19 102.39 2a3u n GLY 87 Ca 0.07 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2a3u n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a3u n ASP 88 N 0.31 2.51 -3.56 1.61 8.00 0.16 -4.94 116.55 120.65 2a3u n ASP 88 Ca 0.00 -1.83 -0.11 0.00 0.71 0.00 0.00 54.79 53.56 2a3u n ASP 88 Cb 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 2a3u n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2a3u s GLU 89 N -1.89 1.16 -0.03 -1.24 2.56 -1.11 -4.89 118.70 113.27 2a3u s GLU 89 Ca 0.33 -0.63 0.02 0.00 0.00 0.00 0.00 54.97 54.69 2a3u s GLU 89 Cb 0.20 0.52 0.01 0.00 2.00 0.00 0.00 34.13 36.86 2a3u s GLU 89 CO 0.31 -0.48 -0.06 -0.65 -0.56 0.00 0.00 175.26 173.82 2a3u s GLN 90 N -3.79 0.72 0.55 4.30 -0.21 -1.26 -4.19 119.66 115.78 2a3u s GLN 90 Ca 0.03 -0.18 0.32 0.00 0.02 0.00 0.00 55.36 55.55 2a3u s GLN 90 Cb 0.01 -0.71 1.57 0.00 1.00 0.00 0.00 33.01 34.87 2a3u s GLN 90 CO -0.12 0.03 2.08 -0.07 -2.12 0.00 0.00 175.29 175.10 2a3u h LEU 91 N 6.61 0.00 -0.59 2.90 3.38 -1.97 -2.10 115.31 123.54 2a3u h LEU 91 Ca -0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2a3u h LEU 91 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2a3u h LEU 91 CO 0.49 0.08 -0.22 -0.33 0.09 0.00 0.00 178.44 178.55 2a3u h GLU 92 N 0.00 0.00 -6.38 1.13 3.07 -1.95 0.85 114.58 111.30 2a3u h GLU 92 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 2a3u h GLU 92 Cb 0.36 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.30 2a3u h GLU 92 CO 0.01 0.22 1.07 -2.13 -1.40 0.00 0.00 179.01 176.77 2a3u n ARG 93 N -3.24 2.41 -2.99 2.33 0.63 -0.79 -4.65 116.66 110.37 2a3u n ARG 93 Ca 0.02 0.88 -0.40 0.00 -0.92 0.00 0.00 57.85 57.43 2a3u n ARG 93 Cb 0.52 -2.74 -0.04 0.00 0.45 0.00 0.00 32.46 30.65 2a3u n ARG 93 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2a3u s LYS 94 N 3.25 4.46 -0.19 -0.14 2.47 -1.26 -1.05 119.74 127.28 2a3u s LYS 94 Ca 0.87 0.97 -0.05 0.00 -1.56 0.00 0.00 55.97 56.20 2a3u s LYS 94 Cb -0.60 -3.45 -0.03 0.00 -1.46 0.00 0.00 37.83 32.29 2a3u s LYS 94 CO 0.44 0.05 -0.00 0.42 0.16 0.00 0.00 175.35 176.42 2a3u s ILE 95 N 0.83 4.01 -0.14 5.43 1.01 0.52 -4.94 121.20 127.93 2a3u s ILE 95 Ca 0.40 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 2a3u s ILE 95 Cb -0.18 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2a3u s ILE 95 CO 0.20 0.45 0.06 -1.00 0.00 0.00 0.00 174.94 174.65 2a3u s HIS 96 N 0.79 3.31 0.31 3.97 3.76 -1.26 -1.88 115.29 124.28 2a3u s HIS 96 Ca 0.00 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.16 2a3u s HIS 96 Cb -0.14 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 2a3u s HIS 96 CO 0.02 0.39 0.14 1.52 -0.85 0.00 0.00 174.74 175.97 2a3u s TYR 97 N -0.35 1.62 0.29 1.40 1.13 -1.26 -5.06 117.35 115.12 2a3u s TYR 97 Ca 0.09 -1.32 0.10 0.00 -1.41 0.00 0.00 57.07 54.53 2a3u s TYR 97 Cb -0.12 -0.90 -0.05 0.00 -1.10 0.00 0.00 41.96 39.79 2a3u s TYR 97 CO 0.02 -0.46 -0.04 1.03 -2.51 0.00 0.00 175.55 173.59 2a3u s ARG 98 N -3.84 2.10 0.45 -3.49 0.52 -1.26 -4.85 118.95 108.57 2a3u s ARG 98 Ca 0.35 -1.59 0.11 0.00 -0.52 0.00 0.00 55.73 54.08 2a3u s ARG 98 Cb 0.05 -2.01 1.01 0.00 0.52 0.00 0.00 34.95 34.52 2a3u s ARG 98 CO 0.17 0.28 2.07 0.37 0.02 0.00 0.00 175.30 178.21 2a3u h GLN 99 N 1.94 0.26 0.00 3.54 4.15 -1.99 0.18 115.11 123.19 2a3u h GLN 99 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2a3u h GLN 99 Cb 1.25 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2a3u h GLN 99 CO 0.62 0.22 0.00 -0.56 -1.93 0.00 0.00 178.83 177.18 2a3u h GLN 100 N 0.27 0.00 0.00 1.69 3.07 -2.05 -1.78 115.11 116.31 2a3u h GLN 100 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2a3u h GLN 100 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 2a3u h GLN 100 CO -0.01 0.00 -0.23 -0.25 0.09 0.00 0.00 178.83 178.44 2a3u n ASP 101 N -2.50 0.68 -4.76 0.06 10.43 0.05 -4.89 116.55 115.61 2a3u n ASP 101 Ca 0.00 0.38 -0.40 0.00 2.57 0.00 0.00 54.79 57.35 2a3u n ASP 101 Cb 0.18 -0.41 -0.04 0.00 1.84 0.00 0.00 41.12 42.69 2a3u n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2a3u s LEU 102 N -4.20 4.48 0.45 0.64 1.43 -0.67 -4.93 118.68 115.88 2a3u s LEU 102 Ca 0.10 2.21 0.05 0.00 -1.03 0.00 0.00 54.13 55.46 2a3u s LEU 102 Cb 0.14 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 2a3u s LEU 102 CO 0.64 -0.19 0.05 0.68 0.23 0.00 0.00 176.35 177.75 2a3u s VAL 103 N -1.25 1.78 0.03 -1.59 -7.23 -1.26 -5.06 120.40 105.81 2a3u s VAL 103 Ca 0.47 -1.93 -0.36 0.00 -1.81 0.00 0.00 61.98 58.34 2a3u s VAL 103 Cb -0.30 -2.72 -0.15 0.00 0.56 0.00 0.00 36.38 33.78 2a3u s VAL 103 CO 0.38 0.00 1.55 -0.67 -0.31 0.00 0.00 175.10 176.05 2a3u n ASP 104 N -1.13 2.44 -2.02 4.85 4.64 -1.26 -4.11 116.55 119.97 2a3u n ASP 104 Ca -0.08 1.08 -0.01 0.00 -1.38 0.00 0.00 54.79 54.40 2a3u n ASP 104 Cb 0.67 -1.28 0.00 0.00 -1.04 0.00 0.00 41.12 39.47 2a3u n ASP 104 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2a3u n TYR 105 N 3.80 -1.63 -3.16 -0.67 9.36 -1.26 -4.56 117.16 119.04 2a3u n TYR 105 Ca 0.20 0.71 -0.19 0.00 3.32 0.00 0.00 57.90 61.94 2a3u n TYR 105 Cb 0.22 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.35 2a3u n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2a3u n SER 106 N 0.14 1.21 -0.12 2.98 7.64 -1.26 -1.16 113.62 123.05 2a3u n SER 106 Ca 0.01 -3.08 0.14 0.00 1.01 0.00 0.00 58.87 56.95 2a3u n SER 106 Cb 0.04 -0.61 0.50 0.00 -1.01 0.00 0.00 64.21 63.13 2a3u n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2a3u h PRO 107 N 3.00 0.40 0.01 1.43 0.13 -1.94 -1.25 132.00 133.77 2a3u h PRO 107 Ca 0.10 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.81 2a3u h PRO 107 Cb 0.93 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.91 2a3u h PRO 107 CO 0.53 0.26 -2.18 0.28 -0.23 0.00 0.00 178.00 176.66 2a3u n VAL 108 N -4.47 1.54 0.24 1.56 0.31 -1.26 -4.52 118.33 111.72 2a3u n VAL 108 Ca 0.12 -0.32 0.07 0.00 -0.01 0.00 0.00 64.34 64.20 2a3u n VAL 108 Cb 0.45 -1.87 0.57 0.00 -0.91 0.00 0.00 33.84 32.08 2a3u n VAL 108 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2a3u h SER 109 N -0.86 0.00 0.59 4.52 4.64 -1.96 -1.17 113.55 119.31 2a3u h SER 109 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2a3u h SER 109 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2a3u h SER 109 CO -0.32 0.15 0.00 -1.84 -0.87 0.00 0.00 176.83 173.95 2a3u n GLU 110 N -4.23 0.17 0.00 4.77 0.28 -0.48 -1.98 120.64 119.18 2a3u n GLU 110 Ca -0.02 0.45 0.14 0.00 -0.16 0.00 0.00 57.16 57.56 2a3u n GLU 110 Cb 0.22 -1.86 0.45 0.00 1.43 0.00 0.00 31.44 31.68 2a3u n GLU 110 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2a3u n LYS 111 N -2.18 1.46 -1.92 3.44 5.02 -0.44 -4.30 118.16 119.24 2a3u n LYS 111 Ca 0.02 -0.89 -0.12 0.00 -2.02 0.00 0.00 58.31 55.30 2a3u n LYS 111 Cb 0.19 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2a3u n LYS 111 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2a3u n HIS 112 N 0.00 1.77 0.15 2.13 8.25 -0.84 -4.76 115.22 121.93 2a3u n HIS 112 Ca 0.17 -1.96 0.01 0.00 -0.26 0.00 0.00 57.72 55.67 2a3u n HIS 112 Cb 0.37 -0.29 0.29 0.00 1.12 0.00 0.00 29.99 31.48 2a3u n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2a3u h LEU 113 N 1.99 0.06 0.15 2.41 3.38 -1.75 0.04 115.31 121.58 2a3u h LEU 113 Ca 0.16 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 2a3u h LEU 113 Cb 1.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2a3u h LEU 113 CO 0.46 0.48 -1.59 0.00 0.09 0.00 0.00 178.44 177.89 2a3u h ALA 114 N 1.52 0.20 -0.00 1.53 0.00 -1.90 -3.41 119.26 117.19 2a3u h ALA 114 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2a3u h ALA 114 Cb 0.78 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2a3u h ALA 114 CO 0.06 1.07 -0.45 -0.40 0.00 0.00 0.00 179.25 179.53 2a3u n ASP 115 N -3.52 0.86 -0.24 0.00 5.75 -1.22 -5.10 116.55 113.09 2a3u n ASP 115 Ca -0.19 -0.93 0.03 0.00 -0.01 0.00 0.00 54.79 53.70 2a3u n ASP 115 Cb 1.06 0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 41.95 2a3u n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a3u n GLY 116 N 1.17 -1.40 2.97 6.12 0.00 -0.00 -4.95 105.19 109.10 2a3u n GLY 116 Ca 0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 2a3u n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a3u s MET 117 N -1.24 0.24 0.70 1.61 -1.94 -0.79 -4.86 119.30 113.02 2a3u s MET 117 Ca 0.00 -0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 53.50 2a3u s MET 117 Cb 0.00 0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.94 2a3u s MET 117 CO 0.00 -0.04 1.06 0.95 -0.01 0.00 0.00 175.02 176.98 2a3u s THR 118 N -0.96 3.93 0.24 2.05 -4.23 -1.26 -0.35 115.64 115.07 2a3u s THR 118 Ca -0.10 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 2a3u s THR 118 Cb -0.06 -3.42 0.23 0.00 1.34 0.00 0.00 72.50 70.58 2a3u s THR 118 CO -0.00 -0.82 1.88 0.58 -0.54 0.00 0.00 174.62 175.71 2a3u h VAL 119 N -0.72 1.11 -0.66 2.29 2.07 -0.90 0.16 116.25 119.60 2a3u h VAL 119 Ca -0.44 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 2a3u h VAL 119 Cb 1.22 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2a3u h VAL 119 CO 0.58 0.20 0.25 1.23 0.02 0.00 0.00 177.57 179.85 2a3u h GLY 120 N 1.09 1.08 1.26 2.17 0.00 -1.10 -1.10 103.07 106.48 2a3u h GLY 120 Ca 0.38 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2a3u h GLY 120 CO -0.14 0.57 0.25 0.83 0.00 0.00 0.00 176.54 178.05 2a3u h GLU 121 N 0.95 0.94 -0.55 4.80 5.08 -1.53 -0.68 114.58 123.58 2a3u h GLU 121 Ca 0.22 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2a3u h GLU 121 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2a3u h GLU 121 CO -0.01 0.77 0.22 -0.07 -1.00 0.00 0.00 179.01 178.91 2a3u h LEU 122 N 0.92 0.77 -0.59 1.33 3.38 -0.18 0.39 115.31 121.34 2a3u h LEU 122 Ca 0.22 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2a3u h LEU 122 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2a3u h LEU 122 CO -0.02 0.73 0.09 0.00 0.09 0.00 0.00 178.44 179.33 2a3u h ALA 124 N 1.01 1.06 -0.50 0.00 0.00 -0.87 -0.37 119.26 119.60 2a3u h ALA 124 Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2a3u h ALA 124 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2a3u h ALA 124 CO 0.01 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.75 2a3u h ALA 125 N 1.26 0.68 -0.45 0.00 0.00 -0.58 0.21 119.26 120.39 2a3u h ALA 125 Ca 0.30 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2a3u h ALA 125 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2a3u h ALA 125 CO -0.05 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.88 2a3u h ALA 126 N 0.91 0.58 0.12 0.00 0.00 -0.53 -1.65 119.26 118.71 2a3u h ALA 126 Ca 0.13 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2a3u h ALA 126 Cb 0.61 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2a3u h ALA 126 CO 0.04 0.24 -1.17 0.82 0.00 0.00 0.00 179.25 179.18 2a3u h ILE 127 N 0.58 1.22 0.00 0.00 2.04 -1.03 -2.27 117.51 118.05 2a3u h ILE 127 Ca 0.14 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2a3u h ILE 127 Cb 0.27 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2a3u h ILE 127 CO -0.00 0.70 -0.54 0.71 0.00 0.00 0.00 178.15 179.01 2a3u h THR 128 N -0.35 0.00 0.00 -0.27 1.35 -0.67 -3.36 112.91 109.62 2a3u h THR 128 Ca -0.24 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2a3u h THR 128 Cb 1.70 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2a3u h THR 128 CO 0.09 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.59 2a3u n MET 129 N -2.59 2.01 -2.81 4.72 2.81 -0.70 -0.45 117.12 120.10 2a3u n MET 129 Ca 0.02 -0.21 -0.22 0.00 -1.81 0.00 0.00 57.70 55.48 2a3u n MET 129 Cb 0.50 -0.66 0.02 0.00 -0.71 0.00 0.00 33.22 32.37 2a3u n MET 129 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2a3u n SER 130 N -0.35 -6.11 -4.64 7.83 2.88 -0.81 -4.91 113.62 107.51 2a3u n SER 130 Ca 0.00 -0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 56.92 2a3u n SER 130 Cb 0.03 -4.98 -0.03 0.00 -0.75 0.00 0.00 64.21 58.48 2a3u n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2a3u s ASP 131 N -2.49 6.35 0.17 -3.46 -1.08 -0.74 -4.91 116.67 110.51 2a3u s ASP 131 Ca 0.20 2.20 -0.03 0.00 -0.52 0.00 0.00 52.55 54.41 2a3u s ASP 131 Cb -0.09 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.87 2a3u s ASP 131 CO 0.25 -1.20 1.41 0.78 0.52 0.00 0.00 175.17 176.94 2a3u h ASN 132 N 10.99 0.54 -0.13 -0.34 2.35 -1.38 -2.33 115.58 125.28 2a3u h ASN 132 Ca -0.42 -0.36 -0.16 0.00 -0.55 0.00 0.00 56.30 54.82 2a3u h ASN 132 Cb 1.20 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 2a3u h ASN 132 CO 0.96 1.11 -0.47 0.28 -1.65 0.00 0.00 177.43 177.66 2a3u h SER 133 N 0.31 0.75 -0.55 5.81 0.02 -1.82 -1.00 113.55 117.07 2a3u h SER 133 Ca -0.03 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2a3u h SER 133 Cb 1.33 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2a3u h SER 133 CO 0.13 1.10 0.36 0.00 -1.14 0.00 0.00 176.83 177.28 2a3u h ALA 134 N 0.92 0.70 -0.61 3.77 0.00 -1.89 -0.02 119.26 122.13 2a3u h ALA 134 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2a3u h ALA 134 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2a3u h ALA 134 CO 0.10 0.13 0.40 0.00 0.00 0.00 0.00 179.25 179.88 2a3u h ALA 135 N 1.21 0.78 -0.58 0.00 0.00 -1.14 -1.49 119.26 118.04 2a3u h ALA 135 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2a3u h ALA 135 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2a3u h ALA 135 CO -0.05 0.20 -0.00 -0.91 0.00 0.00 0.00 179.25 178.49 2a3u h ASN 136 N 0.83 0.99 -0.53 0.00 2.35 -0.74 0.13 115.58 118.60 2a3u h ASN 136 Ca 0.23 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2a3u h ASN 136 Cb -0.09 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 2a3u h ASN 136 CO -0.05 1.04 0.27 -0.07 -1.65 0.00 0.00 177.43 176.97 2a3u h LEU 137 N 0.93 0.68 -0.63 1.61 3.38 -0.72 -1.72 115.31 118.83 2a3u h LEU 137 Ca 0.17 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2a3u h LEU 137 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2a3u h LEU 137 CO 0.03 0.60 0.05 -0.07 0.09 0.00 0.00 178.44 179.14 2a3u h LEU 138 N 0.71 1.05 -0.99 1.67 3.38 -1.05 -2.94 115.31 117.14 2a3u h LEU 138 Ca 0.18 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2a3u h LEU 138 Cb 0.08 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2a3u h LEU 138 CO -0.03 1.07 0.64 0.25 0.09 0.00 0.00 178.44 180.47 2a3u h LEU 139 N 0.99 1.06 -0.83 1.67 5.85 -0.31 -1.44 115.31 122.29 2a3u h LEU 139 Ca 0.19 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2a3u h LEU 139 Cb 0.50 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2a3u h LEU 139 CO 0.02 0.71 0.37 0.00 -0.34 0.00 0.00 178.44 179.21 2a3u h ALA 140 N 1.42 1.08 0.00 1.25 0.00 -1.15 0.19 119.26 122.04 2a3u h ALA 140 Ca 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2a3u h ALA 140 Cb 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2a3u h ALA 140 CO -0.14 0.67 -0.06 1.79 0.00 0.00 0.00 179.25 181.52 2a3u h THR 141 N 1.20 0.49 -0.68 0.00 1.35 -1.15 -1.56 112.91 112.56 2a3u h THR 141 Ca 0.28 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2a3u h THR 141 Cb 0.16 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2a3u h THR 141 CO -0.03 0.05 0.00 1.33 -0.25 0.00 0.00 175.52 176.62 2a3u n VAL 142 N -3.67 1.38 -0.29 6.82 0.24 -0.96 -4.93 118.33 116.91 2a3u n VAL 142 Ca -0.02 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 2a3u n VAL 142 Cb 0.16 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 2a3u n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a3u n GLY 143 N 1.37 0.97 4.98 7.63 0.00 -0.59 -3.98 105.19 115.57 2a3u n GLY 143 Ca 0.25 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2a3u n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3u n GLY 144 N -2.04 -1.68 0.33 -0.02 0.00 0.62 -1.60 105.19 100.80 2a3u n GLY 144 Ca 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.88 2a3u n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a3u h PRO 145 N 0.00 0.60 -0.68 1.61 0.11 -1.84 -0.51 132.00 131.29 2a3u h PRO 145 Ca 0.01 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2a3u h PRO 145 Cb 0.22 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 2a3u h PRO 145 CO 0.00 0.40 0.12 0.00 -0.21 0.00 0.00 178.00 178.31 2a3u h ALA 146 N 1.63 0.90 -0.62 -0.75 0.00 -1.74 -1.32 119.26 117.36 2a3u h ALA 146 Ca 0.53 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2a3u h ALA 146 Cb 0.84 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2a3u h ALA 146 CO -0.41 0.66 0.05 0.78 0.00 0.00 0.00 179.25 180.33 2a3u h GLY 147 N 1.05 1.13 1.33 0.00 0.00 -0.14 -0.65 103.07 105.78 2a3u h GLY 147 Ca 0.21 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 2a3u h GLY 147 CO 0.01 0.72 -0.34 -2.00 0.00 0.00 0.00 176.54 174.93 2a3u h LEU 148 N 0.97 0.78 -0.79 3.11 5.85 -1.00 -1.42 115.31 122.80 2a3u h LEU 148 Ca 0.18 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 2a3u h LEU 148 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2a3u h LEU 148 CO 0.02 1.05 0.06 0.74 -0.34 0.00 0.00 178.44 179.97 2a3u h THR 149 N 0.62 1.25 -0.64 1.05 2.02 -1.01 -0.91 112.91 115.29 2a3u h THR 149 Ca 0.06 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 2a3u h THR 149 Cb 0.88 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2a3u h THR 149 CO 0.08 0.38 0.18 0.00 0.37 0.00 0.00 175.52 176.52 2a3u h ALA 150 N 1.14 1.11 -0.51 6.16 0.00 -0.85 -1.46 119.26 124.86 2a3u h ALA 150 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2a3u h ALA 150 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2a3u h ALA 150 CO 0.02 0.60 0.25 0.35 0.00 0.00 0.00 179.25 180.47 2a3u h PHE 151 N 0.95 0.73 -0.60 0.00 3.57 -0.67 -0.23 116.94 120.69 2a3u h PHE 151 Ca 0.21 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2a3u h PHE 151 Cb 0.30 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2a3u h PHE 151 CO 0.02 0.57 0.37 -0.07 -2.23 0.00 0.00 178.31 176.97 2a3u h LEU 152 N 0.68 0.61 -1.18 0.59 3.38 -0.74 -1.41 115.31 117.23 2a3u h LEU 152 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2a3u h LEU 152 Cb 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2a3u h LEU 152 CO -0.02 0.42 0.29 0.03 0.09 0.00 0.00 178.44 179.25 2a3u h ARG 153 N 0.73 0.86 0.00 1.13 2.47 -0.77 -0.06 114.38 118.75 2a3u h ARG 153 Ca 0.24 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 2a3u h ARG 153 Cb 0.02 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2a3u h ARG 153 CO -0.10 0.67 -0.13 1.96 0.56 0.00 0.00 179.97 182.93 2a3u h GLN 154 N 0.86 0.00 -0.71 0.04 4.20 0.01 -1.39 115.11 118.12 2a3u h GLN 154 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2a3u h GLN 154 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2a3u h GLN 154 CO -0.03 0.13 0.00 0.44 -0.67 0.00 0.00 178.83 178.70 2a3u n ILE 155 N -4.10 1.22 -0.47 2.54 -5.35 -0.84 -4.94 119.36 107.42 2a3u n ILE 155 Ca -0.02 -1.02 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 2a3u n ILE 155 Cb 0.21 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2a3u n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a3u n GLY 156 N 1.50 0.76 3.46 3.28 0.00 -0.53 -5.03 105.19 108.62 2a3u n GLY 156 Ca 0.25 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2a3u n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a3u s ASP 157 N -2.07 6.14 -0.13 1.61 3.68 -0.10 -4.91 116.67 120.90 2a3u s ASP 157 Ca 0.00 -0.90 0.16 0.00 2.13 0.00 0.00 52.55 53.95 2a3u s ASP 157 Cb 0.00 -2.18 0.65 0.00 -1.45 0.00 0.00 42.92 39.94 2a3u s ASP 157 CO 0.00 -0.51 1.56 0.59 0.13 0.00 0.00 175.17 176.94 2a3u n ASN 158 N 5.29 4.51 0.00 -0.34 3.02 -1.26 -3.02 115.26 123.46 2a3u n ASN 158 Ca -0.10 -2.56 -0.02 0.00 -0.03 0.00 0.00 54.58 51.86 2a3u n ASN 158 Cb 0.47 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2a3u n ASN 158 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2a3u n VAL 159 N 0.67 0.42 -1.75 2.41 0.31 -1.26 -5.04 118.33 114.09 2a3u n VAL 159 Ca 0.23 0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 64.22 2a3u n VAL 159 Cb 0.88 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 2a3u n VAL 159 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2a3u n THR 160 N -3.23 2.11 -3.76 2.52 -1.04 -1.26 -4.82 114.28 104.79 2a3u n THR 160 Ca -0.04 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.34 2a3u n THR 160 Cb 0.41 -1.84 -0.11 0.00 -1.82 0.00 0.00 70.33 66.97 2a3u n THR 160 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a3u s ARG 161 N -2.09 0.32 -0.12 -2.82 1.70 -0.46 -4.92 118.95 110.56 2a3u s ARG 161 Ca 0.55 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 56.27 2a3u s ARG 161 Cb -0.50 0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 33.96 2a3u s ARG 161 CO 0.63 -0.07 -0.12 -1.17 -1.08 0.00 0.00 175.30 173.49 2a3u s LEU 162 N 0.45 2.82 0.00 -1.89 2.96 -1.26 -2.34 118.68 119.42 2a3u s LEU 162 Ca -0.02 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2a3u s LEU 162 Cb -0.04 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.02 2a3u s LEU 162 CO -0.02 0.21 0.00 0.47 -1.32 0.00 0.00 176.35 175.68 2a3u n ASP 163 N 3.26 4.38 -4.47 3.68 9.92 -1.26 -4.27 116.55 127.79 2a3u n ASP 163 Ca -0.18 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.86 2a3u n ASP 163 Cb 0.53 0.63 -0.10 0.00 -0.64 0.00 0.00 41.12 41.53 2a3u n ASP 163 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2a3u s ARG 164 N -1.82 1.65 0.62 -1.24 0.52 -1.26 -4.84 118.95 112.58 2a3u s ARG 164 Ca 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 55.73 53.30 2a3u s ARG 164 Cb 0.00 -1.20 0.03 0.00 0.52 0.00 0.00 34.95 34.30 2a3u s ARG 164 CO 0.00 -0.01 0.91 -1.58 0.02 0.00 0.00 175.30 174.63 2a3u s TRP 165 N -3.00 3.05 0.29 -0.53 0.52 -1.26 -4.72 118.94 113.29 2a3u s TRP 165 Ca 0.32 0.42 -0.30 0.00 0.02 0.00 0.00 56.10 56.56 2a3u s TRP 165 Cb 0.06 -2.89 -0.10 0.00 -1.15 0.00 0.00 33.47 29.38 2a3u s TRP 165 CO 0.14 -1.03 1.45 0.00 0.02 0.00 0.00 176.95 177.53 2a3u s ALA 166 N -3.02 3.62 0.00 0.98 0.00 -1.26 -2.44 121.76 119.64 2a3u s ALA 166 Ca 0.57 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2a3u s ALA 166 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2a3u s ALA 166 CO 0.43 -0.81 0.00 0.25 0.00 0.00 0.00 175.76 175.63 2a3u n THR 167 N 1.81 0.00 0.34 0.00 -2.24 -1.26 -4.85 114.28 108.09 2a3u n THR 167 Ca 0.05 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 2a3u n THR 167 Cb 0.40 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.20 2a3u n THR 167 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a3u h GLU 168 N 0.00 0.00 0.00 -0.78 3.07 -1.90 -3.17 114.58 111.81 2a3u h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2a3u h GLU 168 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2a3u h GLU 168 CO 0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 2a3u n LEU 169 N -2.67 0.00 -1.36 1.33 -0.00 -1.02 -2.97 117.00 110.31 2a3u n LEU 169 Ca 0.02 0.23 0.12 0.00 -0.00 0.00 0.00 56.01 56.37 2a3u n LEU 169 Cb 0.28 -0.23 0.32 0.00 -0.00 0.00 0.00 43.42 43.80 2a3u n LEU 169 CO 0.24 -0.09 0.77 -0.46 -0.00 0.00 0.00 177.39 177.86 2a3u n ASN 170 N -1.23 3.96 0.18 1.45 6.94 -1.20 -4.55 115.26 120.81 2a3u n ASN 170 Ca 0.10 -2.00 0.09 0.00 -0.02 0.00 0.00 54.58 52.75 2a3u n ASN 170 Cb 0.13 -0.48 0.62 0.00 -2.36 0.00 0.00 39.78 37.68 2a3u n ASN 170 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2a3u h GLU 171 N 4.35 0.08 -6.40 -3.83 4.81 -1.78 -1.43 114.58 110.37 2a3u h GLU 171 Ca 0.00 -0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.75 2a3u h GLU 171 Cb 1.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2a3u h GLU 171 CO 0.00 0.05 -0.91 0.00 -0.73 0.00 0.00 179.01 177.42 2a3u n ALA 172 N -2.55 -2.24 -1.76 2.92 0.00 -1.26 -4.22 120.51 111.40 2a3u n ALA 172 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 2a3u n ALA 172 Cb 0.17 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.07 2a3u n ALA 172 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3u s LEU 173 N -6.80 4.56 0.30 0.00 1.43 -1.26 -4.72 118.68 112.18 2a3u s LEU 173 Ca 0.20 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 55.16 2a3u s LEU 173 Cb -0.08 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 2a3u s LEU 173 CO 0.88 -0.07 1.50 -2.84 0.23 0.00 0.00 176.35 176.05 2a3u s PRO 174 N -1.43 4.18 0.00 1.29 0.02 -1.26 -2.27 135.00 135.53 2a3u s PRO 174 Ca 0.44 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.92 2a3u s PRO 174 Cb -0.30 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2a3u s PRO 174 CO 0.38 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 2a3u n GLY 175 N 1.77 2.03 3.63 0.52 0.00 -1.26 -4.99 105.19 106.89 2a3u n GLY 175 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2a3u n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a3u s ASP 176 N -3.49 6.74 0.00 1.61 -1.08 -0.96 -4.93 116.67 114.57 2a3u s ASP 176 Ca 0.00 0.82 0.29 0.00 -0.52 0.00 0.00 52.55 53.14 2a3u s ASP 176 Cb 0.00 -2.43 1.18 0.00 -1.46 0.00 0.00 42.92 40.22 2a3u s ASP 176 CO 0.00 -0.61 1.87 0.00 0.52 0.00 0.00 175.17 176.96 2a3u n ALA 177 N 6.20 2.56 -1.77 3.66 0.00 -1.26 -4.84 120.51 125.06 2a3u n ALA 177 Ca 0.05 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 2a3u n ALA 177 Cb 0.48 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2a3u n ALA 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2a3u s ARG 178 N -2.88 3.99 -1.40 0.00 0.52 -1.26 -3.41 118.95 114.51 2a3u s ARG 178 Ca 0.17 2.38 -0.09 0.00 -0.52 0.00 0.00 55.73 57.67 2a3u s ARG 178 Cb 0.19 -2.84 0.04 0.00 0.52 0.00 0.00 34.95 32.85 2a3u s ARG 178 CO 0.54 -0.56 1.05 -0.25 0.02 0.00 0.00 175.30 176.10 2a3u n ASP 179 N 0.24 -4.85 -4.53 0.23 9.92 -1.12 -4.92 116.55 111.53 2a3u n ASP 179 Ca 0.03 -0.66 -0.25 0.00 -0.53 0.00 0.00 54.79 53.37 2a3u n ASP 179 Cb 0.41 -4.53 -0.10 0.00 -0.64 0.00 0.00 41.12 36.26 2a3u n ASP 179 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2a3u s THR 180 N -3.35 2.31 0.26 -3.53 -4.23 -0.99 -1.64 115.64 104.47 2a3u s THR 180 Ca 0.50 -2.25 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 2a3u s THR 180 Cb -0.23 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2a3u s THR 180 CO 0.77 -0.25 0.26 1.07 -0.54 0.00 0.00 174.62 175.94 2a3u n THR 181 N -0.76 0.00 -4.33 3.99 5.66 -0.51 -1.35 114.28 116.98 2a3u n THR 181 Ca -0.05 -1.74 -0.21 0.00 -3.05 0.00 0.00 64.05 59.00 2a3u n THR 181 Cb 0.63 0.91 -0.11 0.00 -1.55 0.00 0.00 70.33 70.21 2a3u n THR 181 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2a3u s THR 182 N -2.95 1.79 0.21 1.09 -4.23 -1.26 -0.98 115.64 109.32 2a3u s THR 182 Ca 0.28 -1.92 -0.09 0.00 -1.18 0.00 0.00 61.69 58.78 2a3u s THR 182 Cb 0.01 -1.84 0.15 0.00 1.34 0.00 0.00 72.50 72.16 2a3u s THR 182 CO 0.20 -0.33 1.79 -0.65 -0.54 0.00 0.00 174.62 175.08 2a3u h PRO 183 N 3.23 0.58 -0.60 3.99 0.11 -1.68 -0.22 132.00 137.40 2a3u h PRO 183 Ca -0.42 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2a3u h PRO 183 Cb 1.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2a3u h PRO 183 CO 0.52 0.38 0.32 0.00 -0.21 0.00 0.00 178.00 179.01 2a3u h ALA 184 N 1.38 0.77 -0.24 -0.75 0.00 -1.51 -1.05 119.26 117.86 2a3u h ALA 184 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2a3u h ALA 184 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2a3u h ALA 184 CO -0.23 0.30 0.01 0.77 0.00 0.00 0.00 179.25 180.10 2a3u h SER 185 N 0.82 0.40 -0.64 0.00 0.02 -1.63 -1.94 113.55 110.58 2a3u h SER 185 Ca 0.21 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2a3u h SER 185 Cb 0.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2a3u h SER 185 CO -0.03 0.60 0.27 -0.03 -1.14 0.00 0.00 176.83 176.50 2a3u h MET 186 N 0.19 0.95 -0.32 3.45 -1.53 -0.99 0.43 114.93 117.11 2a3u h MET 186 Ca 0.07 -0.17 -0.02 0.00 -3.44 0.00 0.00 59.70 56.14 2a3u h MET 186 Cb 0.39 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.27 2a3u h MET 186 CO 0.01 0.79 0.12 0.00 0.14 0.00 0.00 176.91 177.97 2a3u h ALA 187 N 1.11 0.42 -0.69 0.39 0.00 -1.16 -0.32 119.26 119.01 2a3u h ALA 187 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2a3u h ALA 187 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2a3u h ALA 187 CO -0.02 0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.47 2a3u h ALA 188 N 0.96 1.06 -0.38 0.00 0.00 -1.12 -1.08 119.26 118.71 2a3u h ALA 188 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2a3u h ALA 188 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2a3u h ALA 188 CO -0.01 0.64 -0.03 1.15 0.00 0.00 0.00 179.25 180.99 2a3u h THR 189 N 1.03 1.27 -0.63 0.00 2.02 -0.69 -0.30 112.91 115.61 2a3u h THR 189 Ca 0.23 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 2a3u h THR 189 Cb 0.30 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2a3u h THR 189 CO -0.01 0.35 0.30 -0.07 0.37 0.00 0.00 175.52 176.47 2a3u h LEU 190 N 0.50 0.83 -0.70 2.58 3.38 -0.88 -0.83 115.31 120.20 2a3u h LEU 190 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2a3u h LEU 190 Cb 0.52 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2a3u h LEU 190 CO 0.03 0.73 0.40 -0.09 0.09 0.00 0.00 178.44 179.60 2a3u h ARG 191 N 0.87 0.96 -0.66 1.13 2.43 -0.94 -0.62 114.38 117.54 2a3u h ARG 191 Ca 0.22 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2a3u h ARG 191 Cb 0.13 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2a3u h ARG 191 CO -0.03 0.70 0.41 0.87 -1.51 0.00 0.00 179.97 180.41 2a3u h LYS 192 N 0.95 0.78 -0.31 0.20 1.57 -0.55 0.13 116.57 119.34 2a3u h LYS 192 Ca 0.25 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 2a3u h LYS 192 Cb -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2a3u h LYS 192 CO -0.04 0.52 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.93 2a3u h LEU 193 N 0.81 0.75 0.00 2.94 3.38 -0.78 -2.55 115.31 119.86 2a3u h LEU 193 Ca 0.27 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2a3u h LEU 193 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2a3u h LEU 193 CO -0.10 1.03 -1.03 -0.07 0.09 0.00 0.00 178.44 178.36 2a3u h LEU 194 N 0.59 0.00 0.00 1.67 3.38 -0.88 -3.43 115.31 116.65 2a3u h LEU 194 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2a3u h LEU 194 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2a3u h LEU 194 CO 0.08 0.56 -0.02 0.35 0.09 0.00 0.00 178.44 179.49 2a3u n THR 195 N -3.04 0.00 1.79 0.22 -2.24 0.01 -4.85 114.28 106.18 2a3u n THR 195 Ca -0.04 -0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.82 2a3u n THR 195 Cb 0.80 0.89 0.87 0.00 -2.10 0.00 0.00 70.33 70.79 2a3u n THR 195 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2a3u n SER 196 N -0.18 0.04 -0.67 3.42 3.41 -0.96 -4.89 113.62 113.79 2a3u n SER 196 Ca 0.00 -0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 57.80 2a3u n SER 196 Cb 0.00 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 2a3u n SER 196 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3u n GLN 197 N -1.07 -0.70 -0.02 4.33 6.02 -1.26 -4.87 117.38 119.81 2a3u n GLN 197 Ca 0.21 0.78 -0.17 0.00 -0.01 0.00 0.00 57.00 57.81 2a3u n GLN 197 Cb 0.16 -4.67 -0.09 0.00 1.02 0.00 0.00 30.24 26.66 2a3u n GLN 197 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3u h ARG 198 N 0.05 0.59 -6.52 -1.09 3.08 -1.90 -3.43 114.38 105.16 2a3u h ARG 198 Ca -0.18 -0.51 -0.52 0.00 0.07 0.00 0.00 59.98 58.85 2a3u h ARG 198 Cb 0.62 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2a3u h ARG 198 CO 0.26 1.13 -0.11 -0.51 -1.07 0.00 0.00 179.97 179.67 2a3u s LEU 199 N -8.48 4.05 0.99 3.04 1.43 -1.26 -5.05 118.68 113.40 2a3u s LEU 199 Ca -0.12 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 2a3u s LEU 199 Cb 0.06 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.86 2a3u s LEU 199 CO 0.85 -0.20 1.09 -0.94 0.23 0.00 0.00 176.35 177.39 2a3u s SER 200 N -3.05 2.44 0.16 2.29 1.04 -1.26 -4.69 113.70 110.63 2a3u s SER 200 Ca 0.45 1.84 -0.16 0.00 0.48 0.00 0.00 55.95 58.56 2a3u s SER 200 Cb -0.11 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.67 2a3u s SER 200 CO 0.29 -3.35 1.75 0.00 0.98 0.00 0.00 173.24 172.91 2a3u h ALA 201 N -2.04 0.42 -0.82 5.32 0.00 -1.98 0.11 119.26 120.29 2a3u h ALA 201 Ca -0.50 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2a3u h ALA 201 Cb 1.29 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2a3u h ALA 201 CO 0.47 -0.27 0.42 -0.09 0.00 0.00 0.00 179.25 179.77 2a3u h ARG 202 N 0.27 1.16 -0.54 0.00 2.43 -1.99 -1.51 114.38 114.19 2a3u h ARG 202 Ca 0.17 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2a3u h ARG 202 Cb 0.15 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2a3u h ARG 202 CO -0.18 0.87 0.03 0.77 -1.51 0.00 0.00 179.97 179.95 2a3u h SER 203 N 1.15 0.91 -0.56 -3.80 0.02 -1.77 -0.28 113.55 109.22 2a3u h SER 203 Ca 0.28 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2a3u h SER 203 Cb 0.08 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2a3u h SER 203 CO -0.04 0.98 0.34 1.56 -1.14 0.00 0.00 176.83 178.53 2a3u h GLN 204 N 0.82 0.65 -0.59 3.45 4.20 -0.68 -0.37 115.11 122.58 2a3u h GLN 204 Ca 0.16 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2a3u h GLN 204 Cb 0.50 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2a3u h GLN 204 CO 0.02 0.43 0.13 0.00 -0.67 0.00 0.00 178.83 178.74 2a3u h ARG 205 N 0.67 0.92 -0.28 1.46 3.08 -1.00 -2.32 114.38 116.92 2a3u h ARG 205 Ca 0.22 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2a3u h ARG 205 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2a3u h ARG 205 CO -0.09 0.84 -0.00 0.37 -1.07 0.00 0.00 179.97 180.01 2a3u h GLN 206 N 0.88 0.49 -0.72 0.04 5.75 -0.55 -1.17 115.11 119.83 2a3u h GLN 206 Ca 0.19 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2a3u h GLN 206 Cb 0.34 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 2a3u h GLN 206 CO 0.00 0.65 0.40 1.25 -2.65 0.00 0.00 178.83 178.48 2a3u h LEU 207 N 0.27 0.90 -0.37 -2.39 5.85 -0.94 -0.99 115.31 117.64 2a3u h LEU 207 Ca 0.08 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2a3u h LEU 207 Cb 0.43 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2a3u h LEU 207 CO 0.02 0.74 0.19 0.25 -0.34 0.00 0.00 178.44 179.29 2a3u h LEU 208 N 0.99 0.48 -1.00 2.25 5.85 -1.36 -2.61 115.31 119.92 2a3u h LEU 208 Ca 0.25 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2a3u h LEU 208 Cb 0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2a3u h LEU 208 CO -0.04 0.46 0.22 -0.61 -0.34 0.00 0.00 178.44 178.13 2a3u h GLN 209 N 0.47 0.95 -0.95 1.25 5.75 -0.77 -0.21 115.11 121.60 2a3u h GLN 209 Ca 0.13 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2a3u h GLN 209 Cb 0.10 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 2a3u h GLN 209 CO -0.02 0.80 0.63 -1.49 -2.65 0.00 0.00 178.83 176.10 2a3u h TRP 210 N 0.93 1.19 -0.43 3.99 6.55 -0.96 0.08 115.95 127.30 2a3u h TRP 210 Ca 0.21 0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.96 2a3u h TRP 210 Cb 0.23 -0.40 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 2a3u h TRP 210 CO 0.02 0.72 -0.22 0.52 -1.05 0.00 0.00 178.44 178.43 2a3u h MET 211 N 1.26 0.85 -0.45 0.49 2.86 -0.99 -2.59 114.93 116.36 2a3u h MET 211 Ca 0.36 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2a3u h MET 211 Cb -0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2a3u h MET 211 CO -0.09 0.99 0.22 0.28 1.06 0.00 0.00 176.91 179.36 2a3u h VAL 212 N 0.74 1.15 -0.06 -2.22 2.07 -0.47 -1.93 116.25 115.54 2a3u h VAL 212 Ca 0.10 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2a3u h VAL 212 Cb 0.75 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2a3u h VAL 212 CO 0.06 0.18 0.00 0.47 0.02 0.00 0.00 177.57 178.30 2a3u n ASP 213 N -4.39 0.46 -4.65 0.57 8.00 -0.04 -4.86 116.55 111.63 2a3u n ASP 213 Ca 0.03 -1.64 -0.53 0.00 0.71 0.00 0.00 54.79 53.37 2a3u n ASP 213 Cb 0.12 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 2a3u n ASP 213 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2a3u n ASP 214 N -0.42 2.30 0.01 -2.24 2.03 -1.08 -4.81 116.55 112.35 2a3u n ASP 214 Ca 0.11 1.08 0.11 0.00 0.52 0.00 0.00 54.79 56.61 2a3u n ASP 214 Cb 0.12 -1.22 -0.08 0.00 -0.72 0.00 0.00 41.12 39.21 2a3u n ASP 214 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a3u n ARG 215 N 4.16 0.36 -0.01 -0.67 5.12 0.41 -3.32 116.66 122.70 2a3u n ARG 215 Ca 0.22 -0.07 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 2a3u n ARG 215 Cb 0.19 -1.55 -0.10 0.00 -1.16 0.00 0.00 32.46 29.84 2a3u n ARG 215 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2a3u h VAL 216 N 0.00 1.27 0.00 1.55 2.07 -1.88 -3.42 116.25 115.85 2a3u h VAL 216 Ca 0.00 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 2a3u h VAL 216 Cb 0.78 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2a3u h VAL 216 CO 0.00 0.36 -1.16 0.00 0.02 0.00 0.00 177.57 176.78 2a3u n ALA 217 N -2.53 2.06 -0.02 1.67 0.00 -1.26 -4.77 120.51 115.65 2a3u n ALA 217 Ca -0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2a3u n ALA 217 Cb 0.32 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 2a3u n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a3u h GLY 218 N 0.59 -1.14 0.67 0.00 0.00 -1.80 0.13 103.07 101.51 2a3u h GLY 218 Ca -0.02 0.69 0.07 0.00 0.00 0.00 0.00 47.33 48.07 2a3u h GLY 218 CO 0.00 -0.23 0.56 -2.55 0.00 0.00 0.00 176.54 174.32 2a3u h PRO 219 N -0.51 0.97 -0.18 4.80 0.11 -1.83 -0.89 132.00 134.47 2a3u h PRO 219 Ca 0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2a3u h PRO 219 Cb 0.60 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2a3u h PRO 219 CO -0.41 0.64 0.08 1.25 -0.21 0.00 0.00 178.00 179.35 2a3u h LEU 220 N 0.99 0.23 -0.65 2.35 5.85 -1.75 -1.57 115.31 120.77 2a3u h LEU 220 Ca 0.41 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2a3u h LEU 220 Cb 0.24 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2a3u h LEU 220 CO -0.19 0.30 0.42 0.40 -0.34 0.00 0.00 178.44 179.03 2a3u h ILE 221 N 0.15 1.14 -0.73 4.05 2.04 -0.49 -2.03 117.51 121.65 2a3u h ILE 221 Ca 0.06 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2a3u h ILE 221 Cb 0.13 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2a3u h ILE 221 CO -0.01 0.16 0.48 0.03 0.00 0.00 0.00 178.15 178.81 2a3u h ARG 222 N 0.85 0.90 0.00 2.37 3.08 -0.90 -1.44 114.38 119.25 2a3u h ARG 222 Ca 0.25 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2a3u h ARG 222 Cb -0.06 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 2a3u h ARG 222 CO -0.07 0.60 -0.02 0.66 -1.07 0.00 0.00 179.97 180.07 2a3u h SER 223 N 0.93 0.00 -0.07 7.04 4.64 -0.54 -2.23 113.55 123.33 2a3u h SER 223 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2a3u h SER 223 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2a3u h SER 223 CO -0.07 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.24 2a3u n VAL 224 N -3.30 0.23 -3.33 0.95 0.24 -0.63 -5.00 118.33 107.49 2a3u n VAL 224 Ca -0.02 -0.62 -0.36 0.00 -2.04 0.00 0.00 64.34 61.30 2a3u n VAL 224 Cb 0.13 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 2a3u n VAL 224 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a3u s LEU 225 N -0.75 4.41 0.81 1.34 1.43 -0.65 -5.05 118.68 120.22 2a3u s LEU 225 Ca 0.11 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.24 2a3u s LEU 225 Cb 0.07 -3.13 0.08 0.00 0.03 0.00 0.00 46.19 43.25 2a3u s LEU 225 CO 0.10 0.17 1.15 -2.84 0.23 0.00 0.00 176.35 175.16 2a3u s PRO 226 N -1.65 1.75 0.43 1.29 0.02 -1.26 -4.91 135.00 130.68 2a3u s PRO 226 Ca 0.34 1.53 -0.25 0.00 0.02 0.00 0.00 61.00 62.64 2a3u s PRO 226 Cb -0.17 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 2a3u s PRO 226 CO 0.19 -2.08 1.31 0.00 -0.33 0.00 0.00 177.00 176.09 2a3u n ALA 227 N -3.48 1.48 -0.01 -1.55 0.00 -1.26 -2.84 120.51 112.85 2a3u n ALA 227 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2a3u n ALA 227 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2a3u n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3u n GLY 228 N 0.76 0.50 3.67 0.00 0.00 -1.26 -4.96 105.19 103.90 2a3u n GLY 228 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2a3u n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a3u s TRP 229 N -2.18 3.36 0.20 1.61 0.52 -1.13 -0.21 118.94 121.12 2a3u s TRP 229 Ca 0.00 0.52 -0.30 0.00 0.02 0.00 0.00 56.10 56.34 2a3u s TRP 229 Cb 0.00 -2.45 -0.08 0.00 -1.15 0.00 0.00 33.47 29.79 2a3u s TRP 229 CO 0.00 0.02 1.00 0.12 0.02 0.00 0.00 176.95 178.11 2a3u s PHE 230 N 1.21 3.80 -0.01 -1.98 5.36 0.22 -4.89 117.98 121.69 2a3u s PHE 230 Ca 0.16 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 2a3u s PHE 230 Cb -0.14 -3.11 0.01 0.00 -0.34 0.00 0.00 43.02 39.44 2a3u s PHE 230 CO 0.07 0.02 0.01 -1.50 -1.46 0.00 0.00 175.22 172.36 2a3u s ILE 231 N -0.71 0.01 0.01 3.12 1.10 -1.26 -3.02 121.20 120.45 2a3u s ILE 231 Ca 0.45 0.05 0.00 0.00 -0.51 0.00 0.00 60.65 60.64 2a3u s ILE 231 Cb -0.27 -0.05 -0.01 0.00 0.15 0.00 0.00 42.46 42.28 2a3u s ILE 231 CO 0.34 0.04 -0.01 0.00 -2.11 0.00 0.00 174.94 173.19 2a3u s ALA 232 N 0.33 0.04 0.13 1.50 0.00 -0.82 -4.76 121.76 118.19 2a3u s ALA 232 Ca -0.03 -0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 2a3u s ALA 232 Cb -0.04 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.20 2a3u s ALA 232 CO -0.01 -0.06 0.91 0.16 0.00 0.00 0.00 175.76 176.76 2a3u s ASP 233 N -0.54 -0.24 -0.06 0.00 1.47 -0.75 -0.89 116.67 115.66 2a3u s ASP 233 Ca -0.06 -0.31 -0.03 0.00 1.18 0.00 0.00 52.55 53.34 2a3u s ASP 233 Cb -0.04 0.49 0.04 0.00 -0.34 0.00 0.00 42.92 43.07 2a3u s ASP 233 CO -0.00 -0.87 0.13 -0.75 0.68 0.00 0.00 175.17 174.35 2a3u s LYS 234 N -3.31 0.06 0.43 2.11 2.47 -0.29 -4.60 119.74 116.60 2a3u s LYS 234 Ca 0.10 0.38 0.08 0.00 -1.56 0.00 0.00 55.97 54.97 2a3u s LYS 234 Cb -0.02 -0.22 -0.01 0.00 -1.46 0.00 0.00 37.83 36.12 2a3u s LYS 234 CO -0.01 -0.20 0.39 0.95 0.16 0.00 0.00 175.35 176.64 2a3u s THR 235 N 1.40 2.56 0.13 3.43 -4.23 -1.26 -1.18 115.64 116.50 2a3u s THR 235 Ca -0.06 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 2a3u s THR 235 Cb -0.12 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.84 2a3u s THR 235 CO -0.05 0.00 0.40 -0.83 -0.54 0.00 0.00 174.62 173.59 2a3u s GLY 236 N -4.15 -0.22 0.00 3.99 0.00 -0.21 -3.90 107.32 102.83 2a3u s GLY 236 Ca 0.47 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.97 2a3u s GLY 236 CO 0.28 -0.34 0.22 0.00 0.00 0.00 0.00 173.10 173.25 2a3u s ALA 237 N -3.82 -0.53 0.00 3.20 0.00 -1.26 -1.34 121.76 118.01 2a3u s ALA 237 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2a3u s ALA 237 Cb 0.02 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2a3u s ALA 237 CO -0.11 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2a3u n GLY 238 N 1.26 3.10 3.86 0.00 0.00 -0.19 -4.64 105.19 108.57 2a3u n GLY 238 Ca -0.22 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2a3u n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3u s GLU 240 N -0.99 2.20 -1.37 1.61 0.41 -0.54 -3.43 118.70 116.58 2a3u s GLU 240 Ca 0.00 0.36 -0.05 0.00 -0.41 0.00 0.00 54.97 54.87 2a3u s GLU 240 Cb 0.00 -1.95 0.03 0.00 -1.78 0.00 0.00 34.13 30.42 2a3u s GLU 240 CO 0.00 -1.48 0.38 0.54 -0.49 0.00 0.00 175.26 174.21 2a3u n ARG 241 N -3.29 -3.51 -0.83 1.61 1.74 -1.26 -1.36 116.66 109.76 2a3u n ARG 241 Ca 0.07 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 2a3u n ARG 241 Cb 0.58 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.60 2a3u n ARG 241 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a3u n GLY 242 N -1.20 0.84 3.70 -0.13 0.00 -1.17 -1.61 105.19 105.62 2a3u n GLY 242 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2a3u n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3u n ALA 243 N 0.49 1.52 -3.53 4.61 0.00 -0.47 -4.56 120.51 118.57 2a3u n ALA 243 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 2a3u n ALA 243 Cb 0.00 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.06 2a3u n ALA 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2a3u s ARG 244 N -0.82 0.89 0.19 0.00 6.06 -0.89 -1.02 118.95 123.36 2a3u s ARG 244 Ca 0.64 0.57 -0.24 0.00 -2.50 0.00 0.00 55.73 54.20 2a3u s ARG 244 Cb -0.59 0.43 0.05 0.00 0.06 0.00 0.00 34.95 34.90 2a3u s ARG 244 CO 0.53 -0.20 0.85 0.20 -2.50 0.00 0.00 175.30 174.18 2a3u s GLY 245 N -0.41 -0.22 -0.17 8.12 0.00 -0.45 -0.22 107.32 113.97 2a3u s GLY 245 Ca -0.06 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.57 2a3u s GLY 245 CO 0.05 0.00 0.46 -1.50 0.00 0.00 0.00 173.10 172.11 2a3u s ILE 246 N -3.53 -0.00 -0.14 0.90 2.07 -0.20 -1.04 121.20 119.25 2a3u s ILE 246 Ca 0.11 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2a3u s ILE 246 Cb -0.03 -0.64 -0.00 0.00 0.13 0.00 0.00 42.46 41.92 2a3u s ILE 246 CO 0.02 0.01 -0.17 0.68 -1.91 0.00 0.00 174.94 173.57 2a3u s VAL 247 N 0.49 2.57 0.13 4.00 -7.23 -0.32 -1.20 120.40 118.84 2a3u s VAL 247 Ca -0.02 -0.81 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 2a3u s VAL 247 Cb -0.04 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 2a3u s VAL 247 CO -0.02 0.53 0.25 0.00 -0.31 0.00 0.00 175.10 175.54 2a3u s ALA 248 N 0.69 -0.10 -0.10 1.32 0.00 -0.01 -1.14 121.76 122.42 2a3u s ALA 248 Ca -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2a3u s ALA 248 Cb -0.16 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 2a3u s ALA 248 CO 0.02 -0.59 -0.17 -0.51 0.00 0.00 0.00 175.76 174.50 2a3u s LEU 249 N -2.92 2.49 -0.02 0.00 1.43 -0.07 -0.69 118.68 118.90 2a3u s LEU 249 Ca 0.12 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2a3u s LEU 249 Cb 0.04 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.74 2a3u s LEU 249 CO -0.05 0.21 0.15 -0.22 0.23 0.00 0.00 176.35 176.67 2a3u s LEU 250 N 0.09 1.48 0.00 1.79 2.96 -0.11 -1.94 118.68 122.95 2a3u s LEU 250 Ca -0.08 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2a3u s LEU 250 Cb -0.15 0.65 0.00 0.00 0.50 0.00 0.00 46.19 47.18 2a3u s LEU 250 CO 0.05 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 2a3u n GLY 251 N 2.01 1.16 3.92 7.98 0.00 -1.17 -1.09 105.19 118.00 2a3u n GLY 251 Ca -0.19 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2a3u n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a3u s PRO 252 N -2.00 1.13 -1.64 1.61 0.04 -1.26 -0.61 135.00 132.27 2a3u s PRO 252 Ca 0.00 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.75 2a3u s PRO 252 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2a3u s PRO 252 CO 0.00 -2.09 0.13 0.09 0.04 0.00 0.00 177.00 175.17 2a3u n ASN 254 N -3.57 -5.65 -3.53 6.66 5.03 -0.64 -2.46 115.26 111.10 2a3u n ASN 254 Ca 0.13 -0.05 -0.26 0.00 0.87 0.00 0.00 54.58 55.27 2a3u n ASN 254 Cb 0.60 -4.68 0.01 0.00 -1.02 0.00 0.00 39.78 34.69 2a3u n ASN 254 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2a3u n ASN 255 N -2.09 -4.50 -4.25 6.41 3.02 0.71 -4.98 115.26 109.59 2a3u n ASN 255 Ca -0.20 -0.53 -0.27 0.00 -0.03 0.00 0.00 54.58 53.55 2a3u n ASN 255 Cb 0.66 -3.65 -0.15 0.00 -0.61 0.00 0.00 39.78 36.03 2a3u n ASN 255 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2a3u s LYS 256 N -6.21 1.59 -1.35 3.52 2.20 -1.03 -4.82 119.74 113.64 2a3u s LYS 256 Ca 0.49 -0.86 -0.16 0.00 -0.36 0.00 0.00 55.97 55.08 2a3u s LYS 256 Cb -0.25 -1.62 0.04 0.00 -1.51 0.00 0.00 37.83 34.49 2a3u s LYS 256 CO 0.60 0.43 2.01 0.00 -0.36 0.00 0.00 175.35 178.03 2a3u n ALA 257 N 2.21 4.52 0.01 3.13 0.00 -1.26 -3.05 120.51 126.07 2a3u n ALA 257 Ca -0.16 -3.81 -0.19 0.00 0.00 0.00 0.00 53.44 49.28 2a3u n ALA 257 Cb 0.53 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.32 2a3u n ALA 257 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2a3u h GLU 258 N 6.84 0.75 -4.91 0.00 4.81 -1.84 -3.44 114.58 116.79 2a3u h GLU 258 Ca 0.50 -0.70 -0.33 0.00 -0.13 0.00 0.00 59.36 58.70 2a3u h GLU 258 Cb 0.74 0.17 -0.21 0.00 0.63 0.00 0.00 28.75 30.08 2a3u h GLU 258 CO 1.70 1.29 -0.75 1.03 -0.73 0.00 0.00 179.01 181.55 2a3u s ARG 259 N -3.55 0.67 -0.06 1.92 0.52 -0.25 -1.09 118.95 117.11 2a3u s ARG 259 Ca -0.10 -0.87 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 2a3u s ARG 259 Cb 0.08 -0.53 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 2a3u s ARG 259 CO 0.91 0.11 0.50 0.42 0.02 0.00 0.00 175.30 177.26 2a3u s ILE 260 N -1.40 5.06 -0.11 1.52 1.01 0.10 -0.93 121.20 126.45 2a3u s ILE 260 Ca -0.06 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2a3u s ILE 260 Cb -0.10 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2a3u s ILE 260 CO 0.01 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.58 2a3u s VAL 261 N 0.04 1.06 -0.16 2.92 1.01 0.13 -0.60 120.40 124.81 2a3u s VAL 261 Ca 0.27 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2a3u s VAL 261 Cb -0.16 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2a3u s VAL 261 CO 0.13 0.37 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 2a3u s VAL 262 N 1.50 2.27 -0.08 2.92 1.01 -0.36 -0.83 120.40 126.84 2a3u s VAL 262 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2a3u s VAL 262 Cb -0.13 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2a3u s VAL 262 CO -0.06 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.87 2a3u s ILE 263 N 0.96 0.89 0.04 2.22 1.01 -0.34 -1.40 121.20 124.57 2a3u s ILE 263 Ca -0.03 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2a3u s ILE 263 Cb -0.15 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2a3u s ILE 263 CO -0.04 0.32 -0.22 -0.31 0.00 0.00 0.00 174.94 174.69 2a3u s TYR 264 N 1.23 1.91 0.03 3.97 1.51 0.27 -1.04 117.35 125.24 2a3u s TYR 264 Ca -0.05 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 2a3u s TYR 264 Cb -0.14 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 2a3u s TYR 264 CO -0.02 0.09 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.80 2a3u s LEU 265 N -1.13 2.13 0.08 -1.29 1.43 0.70 -0.10 118.68 120.50 2a3u s LEU 265 Ca 0.08 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 2a3u s LEU 265 Cb -0.09 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.23 2a3u s LEU 265 CO 0.02 0.16 0.29 0.00 0.23 0.00 0.00 176.35 177.05 2a3u s ARG 266 N -0.97 0.89 -1.22 1.70 1.70 -0.25 -2.09 118.95 118.71 2a3u s ARG 266 Ca 0.06 -0.72 -0.07 0.00 -0.47 0.00 0.00 55.73 54.53 2a3u s ARG 266 Cb -0.08 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2a3u s ARG 266 CO 0.01 -0.31 0.74 -0.25 -1.08 0.00 0.00 175.30 174.42 2a3u n ASP 267 N 0.13 -3.19 -4.07 -2.89 8.00 -0.69 -1.55 116.55 112.29 2a3u n ASP 267 Ca -0.17 -0.88 -0.20 0.00 0.71 0.00 0.00 54.79 54.26 2a3u n ASP 267 Cb 0.62 -3.95 -0.14 0.00 -0.02 0.00 0.00 41.12 37.62 2a3u n ASP 267 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2a3u s THR 268 N -3.59 0.90 -2.19 -3.53 -1.32 -0.63 -4.00 115.64 101.28 2a3u s THR 268 Ca 0.22 -0.57 0.19 0.00 -1.21 0.00 0.00 61.69 60.31 2a3u s THR 268 Cb -0.06 -0.77 0.44 0.00 -1.51 0.00 0.00 72.50 70.60 2a3u s THR 268 CO 0.82 0.19 1.52 -0.81 -2.21 0.00 0.00 174.62 174.13 2a3u n PRO 269 N 2.63 1.61 -1.79 7.08 -0.04 -1.26 -3.04 135.00 140.18 2a3u n PRO 269 Ca -0.15 -0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 62.05 2a3u n PRO 269 Cb 0.56 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.72 2a3u n PRO 269 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a3u s ALA 270 N -1.79 2.41 0.80 0.55 0.00 -1.26 -4.99 121.76 117.47 2a3u s ALA 270 Ca 0.29 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 2a3u s ALA 270 Cb 0.15 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.95 2a3u s ALA 270 CO 0.23 -1.36 1.18 -1.13 0.00 0.00 0.00 175.76 174.69 2a3u n SER 271 N -2.15 1.00 -0.31 0.00 3.41 -1.26 -4.78 113.62 109.52 2a3u n SER 271 Ca 0.12 0.60 -0.02 0.00 -0.26 0.00 0.00 58.87 59.31 2a3u n SER 271 Cb 0.51 -1.50 0.11 0.00 -0.26 0.00 0.00 64.21 63.07 2a3u n SER 271 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2a3u h MET 272 N -0.82 1.03 -0.68 4.33 4.05 -1.99 -1.31 114.93 119.53 2a3u h MET 272 Ca -0.46 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 58.97 2a3u h MET 272 Cb 1.30 -0.23 -0.06 0.00 -0.80 0.00 0.00 31.60 31.81 2a3u h MET 272 CO 0.46 0.68 0.36 0.00 0.23 0.00 0.00 176.91 178.64 2a3u h ALA 273 N 1.35 0.92 -0.05 0.39 0.00 -1.99 -0.01 119.26 119.87 2a3u h ALA 273 Ca 0.34 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 2a3u h ALA 273 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2a3u h ALA 273 CO -0.12 0.00 -0.68 0.93 0.00 0.00 0.00 179.25 179.38 2a3u h GLU 274 N 0.64 0.23 -0.55 0.00 5.08 -1.74 -0.48 114.58 117.76 2a3u h GLU 274 Ca 0.32 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2a3u h GLU 274 Cb 0.26 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2a3u h GLU 274 CO -0.22 0.82 0.08 0.00 -1.00 0.00 0.00 179.01 178.70 2a3u h ARG 275 N 0.16 0.91 -0.73 2.33 3.08 -0.79 -0.71 114.38 118.63 2a3u h ARG 275 Ca -0.02 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 2a3u h ARG 275 Cb 1.22 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2a3u h ARG 275 CO 0.11 0.89 0.29 -0.91 -1.07 0.00 0.00 179.97 179.27 2a3u h ASN 276 N 0.80 1.00 -0.62 7.04 2.35 -0.81 -2.02 115.58 123.33 2a3u h ASN 276 Ca 0.16 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2a3u h ASN 276 Cb 0.42 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2a3u h ASN 276 CO 0.01 0.90 0.18 1.56 -1.65 0.00 0.00 177.43 178.43 2a3u h GLN 277 N 1.04 1.00 -0.34 0.81 4.20 -0.75 -0.59 115.11 120.49 2a3u h GLN 277 Ca 0.24 -0.21 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 2a3u h GLN 277 Cb 0.21 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2a3u h GLN 277 CO -0.02 0.87 -0.46 1.96 -0.67 0.00 0.00 178.83 180.51 2a3u h GLN 278 N 0.96 0.90 -0.53 1.46 1.08 -0.92 0.14 115.11 118.21 2a3u h GLN 278 Ca 0.21 -0.52 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 2a3u h GLN 278 Cb 0.31 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2a3u h GLN 278 CO -0.00 1.16 0.20 0.82 -0.95 0.00 0.00 178.83 180.06 2a3u h ILE 279 N 0.71 1.22 -0.77 2.54 2.04 -1.15 -1.53 117.51 120.57 2a3u h ILE 279 Ca 0.04 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2a3u h ILE 279 Cb 1.06 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2a3u h ILE 279 CO 0.11 0.26 0.43 0.00 0.00 0.00 0.00 178.15 178.95 2a3u h ALA 280 N 1.05 1.30 -0.89 1.87 0.00 -0.89 -1.44 119.26 120.27 2a3u h ALA 280 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2a3u h ALA 280 Cb 0.21 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2a3u h ALA 280 CO -0.01 0.57 0.50 0.78 0.00 0.00 0.00 179.25 181.10 2a3u h GLY 281 N 1.11 1.31 0.98 0.00 0.00 -0.16 0.72 103.07 107.04 2a3u h GLY 281 Ca 0.27 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2a3u h GLY 281 CO -0.05 0.55 0.08 -2.22 0.00 0.00 0.00 176.54 174.91 2a3u h ILE 282 N 1.23 1.25 -1.00 2.60 2.04 -0.69 -1.95 117.51 120.99 2a3u h ILE 282 Ca 0.31 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2a3u h ILE 282 Cb -0.00 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2a3u h ILE 282 CO -0.05 0.33 0.66 1.23 0.00 0.00 0.00 178.15 180.32 2a3u h GLY 283 N 0.69 1.42 1.04 5.37 0.00 -0.62 -1.79 103.07 109.17 2a3u h GLY 283 Ca 0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2a3u h GLY 283 CO 0.01 0.50 0.40 0.00 0.00 0.00 0.00 176.54 177.46 2a3u h ALA 284 N 1.37 1.09 -0.79 3.60 0.00 -0.55 -0.76 119.26 123.22 2a3u h ALA 284 Ca 0.37 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2a3u h ALA 284 Cb -0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.29 2a3u h ALA 284 CO -0.09 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.12 2a3u h ALA 285 N 1.22 1.03 -0.45 0.00 0.00 -0.87 -0.52 119.26 119.67 2a3u h ALA 285 Ca 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2a3u h ALA 285 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2a3u h ALA 285 CO -0.04 0.67 0.13 -0.07 0.00 0.00 0.00 179.25 179.94 2a3u h LEU 286 N 1.16 0.67 -0.10 0.00 3.38 -0.71 -2.09 115.31 117.63 2a3u h LEU 286 Ca 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2a3u h LEU 286 Cb 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2a3u h LEU 286 CO -0.02 0.72 0.05 0.40 0.09 0.00 0.00 178.44 179.67 2a3u h ILE 287 N 0.60 1.11 0.00 1.22 2.04 -0.83 -1.69 117.51 119.96 2a3u h ILE 287 Ca 0.14 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2a3u h ILE 287 Cb 0.29 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2a3u h ILE 287 CO -0.00 0.09 -0.15 -0.33 0.00 0.00 0.00 178.15 177.76 2a3u h GLU 288 N 0.04 0.00 -1.82 2.37 5.08 -1.09 -3.28 114.58 115.88 2a3u h GLU 288 Ca 0.03 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.89 2a3u h GLU 288 Cb 0.11 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.95 2a3u h GLU 288 CO -0.00 0.15 -0.97 0.72 -1.00 0.00 0.00 179.01 177.91 2a3u n HIS 289 N -3.44 1.98 0.02 4.33 8.25 -0.79 -4.94 115.22 120.62 2a3u n HIS 289 Ca -0.01 -3.57 -0.09 0.00 -0.26 0.00 0.00 57.72 53.78 2a3u n HIS 289 Cb 0.32 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 31.10 2a3u n HIS 289 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 2a3u h TRP 290 N 2.93 0.66 -2.11 4.41 2.91 -1.38 -3.42 115.95 119.95 2a3u h TRP 290 Ca 0.10 -0.24 -0.58 0.00 1.13 0.00 0.00 58.89 59.30 2a3u h TRP 290 Cb 0.86 -0.12 -0.10 0.00 -0.51 0.00 0.00 29.16 29.29 2a3u h TRP 290 CO 0.63 0.98 1.06 -0.65 -1.03 0.00 0.00 178.44 179.43 2a3u s GLN 291 N -3.91 3.30 0.00 2.65 -1.52 -1.26 -5.08 119.66 113.85 2a3u s GLN 291 Ca -0.07 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 2a3u s GLN 291 Cb 0.11 -4.53 0.00 0.00 -0.22 0.00 0.00 33.01 28.38 2a3u s GLN 291 CO 0.84 -2.08 0.00 0.54 -0.25 0.00 0.00 175.29 174.34