#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4e n PRO 5 N 0.00 0.00 0.18 -0.41 -0.04 -1.26 -4.82 135.00 128.65 1j4e n PRO 5 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1j4e n PRO 5 Cb 0.00 -0.55 0.15 0.00 -0.04 0.00 0.00 33.50 33.06 1j4e n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4e h ALA 6 N 1.82 0.84 -3.16 0.55 0.00 -2.00 -3.45 119.26 113.86 1j4e h ALA 6 Ca -0.16 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 1j4e h ALA 6 Cb 0.50 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.03 1j4e h ALA 6 CO 0.36 0.34 -0.73 -0.51 0.00 0.00 0.00 179.25 178.71 1j4e s LEU 7 N -6.39 2.25 0.51 0.00 1.43 -1.26 -4.94 118.68 110.27 1j4e s LEU 7 Ca 0.05 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1j4e s LEU 7 Cb 0.07 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.17 1j4e s LEU 7 CO 0.70 -0.21 0.77 0.42 0.23 0.00 0.00 176.35 178.26 1j4e s THR 8 N -1.35 3.77 0.28 5.49 -4.23 -1.26 -4.88 115.64 113.46 1j4e s THR 8 Ca -0.11 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1j4e s THR 8 Cb -0.10 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.59 1j4e s THR 8 CO 0.00 -0.36 1.88 -0.65 -0.54 0.00 0.00 174.62 174.95 1j4e h PRO 9 N 0.15 1.07 -0.76 3.99 0.11 -2.02 -0.15 132.00 134.39 1j4e h PRO 9 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1j4e h PRO 9 Cb 1.26 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1j4e h PRO 9 CO 0.58 0.71 0.43 0.93 -0.21 0.00 0.00 178.00 180.44 1j4e h GLU 10 N 1.10 1.05 -0.27 1.05 3.07 -2.00 -0.96 114.58 117.62 1j4e h GLU 10 Ca 0.44 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 59.10 1j4e h GLU 10 Cb 0.25 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1j4e h GLU 10 CO -0.19 0.77 -0.15 1.96 -1.40 0.00 0.00 179.01 180.00 1j4e h GLN 11 N 1.05 0.58 -0.44 2.33 4.20 -1.71 -2.37 115.11 118.75 1j4e h GLN 11 Ca 0.27 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1j4e h GLN 11 Cb 0.02 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1j4e h GLN 11 CO -0.05 0.84 0.18 0.87 -0.67 0.00 0.00 178.83 180.01 1j4e h LYS 12 N 0.32 0.36 -0.88 1.46 1.57 -0.79 -1.54 116.57 117.07 1j4e h LYS 12 Ca 0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1j4e h LYS 12 Cb 0.68 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1j4e h LYS 12 CO 0.04 0.24 0.58 -0.22 -0.57 0.00 0.00 179.45 179.53 1j4e h LYS 13 N 0.37 1.16 -0.52 3.15 3.64 -1.08 0.22 116.57 123.51 1j4e h LYS 13 Ca 0.20 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1j4e h LYS 13 Cb 0.16 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1j4e h LYS 13 CO -0.18 0.77 0.20 1.49 -2.27 0.00 0.00 179.45 179.46 1j4e h GLU 14 N 1.20 0.79 -0.33 1.90 4.81 -0.88 -0.10 114.58 121.98 1j4e h GLU 14 Ca 0.32 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1j4e h GLU 14 Cb -0.14 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1j4e h GLU 14 CO -0.07 0.70 0.08 -0.07 -0.73 0.00 0.00 179.01 178.92 1j4e h LEU 15 N 0.71 0.50 0.10 1.64 3.38 -0.82 -1.91 115.31 118.90 1j4e h LEU 15 Ca 0.17 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1j4e h LEU 15 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1j4e h LEU 15 CO -0.01 0.61 -0.05 -1.28 0.09 0.00 0.00 178.44 177.80 1j4e h SER 16 N 0.38 -0.12 -0.46 -0.43 0.87 -0.83 -0.88 113.55 112.08 1j4e h SER 16 Ca 0.10 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1j4e h SER 16 Cb 0.31 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 1j4e h SER 16 CO 0.00 -0.08 0.10 0.44 -0.53 0.00 0.00 176.83 176.76 1j4e h ASP 17 N -0.13 0.02 -0.36 6.23 3.32 -0.95 -0.24 116.42 124.30 1j4e h ASP 17 Ca -0.01 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1j4e h ASP 17 Cb 0.11 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1j4e h ASP 17 CO 0.02 0.04 0.21 0.40 -1.72 0.00 0.00 179.24 178.19 1j4e h ILE 18 N 0.23 1.04 -0.12 0.35 2.04 -1.14 -1.35 117.51 118.57 1j4e h ILE 18 Ca 0.23 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1j4e h ILE 18 Cb 0.28 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1j4e h ILE 18 CO -0.29 0.08 0.00 0.00 0.00 0.00 0.00 178.15 177.94 1j4e h ALA 19 N 1.16 0.11 -0.70 1.87 0.00 -0.38 -2.35 119.26 118.96 1j4e h ALA 19 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j4e h ALA 19 Cb -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1j4e h ALA 19 CO -0.06 -0.45 0.30 0.45 0.00 0.00 0.00 179.25 179.48 1j4e h HIS 20 N 0.05 1.03 -0.59 0.00 3.86 -0.87 -2.82 115.15 115.81 1j4e h HIS 20 Ca 0.06 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1j4e h HIS 20 Cb 0.06 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 1j4e h HIS 20 CO -0.14 0.78 0.39 -0.09 0.86 0.00 0.00 177.93 179.73 1j4e h ARG 21 N 1.01 0.78 -0.77 2.45 2.43 -0.93 -0.73 114.38 118.61 1j4e h ARG 21 Ca 0.24 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1j4e h ARG 21 Cb 0.17 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1j4e h ARG 21 CO -0.02 0.52 0.49 0.82 -1.51 0.00 0.00 179.97 180.26 1j4e h ILE 22 N 0.80 1.10 -0.36 1.20 2.04 -1.18 -3.06 117.51 118.05 1j4e h ILE 22 Ca 0.22 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1j4e h ILE 22 Cb -0.09 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1j4e h ILE 22 CO -0.05 0.17 0.02 1.33 0.00 0.00 0.00 178.15 179.63 1j4e n VAL 23 N -4.62 2.45 -1.09 1.67 0.24 -1.10 -4.22 118.33 111.67 1j4e n VAL 23 Ca 0.09 -1.86 -0.36 0.00 -2.04 0.00 0.00 64.34 60.18 1j4e n VAL 23 Cb 0.10 -0.28 0.07 0.00 -1.47 0.00 0.00 33.84 32.26 1j4e n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j4e n ALA 24 N -0.35 -2.65 -1.53 2.33 0.00 -0.30 -4.62 120.51 113.40 1j4e n ALA 24 Ca 0.25 -0.40 -0.58 0.00 0.00 0.00 0.00 53.44 52.72 1j4e n ALA 24 Cb 1.00 -1.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1j4e n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1j4e n PRO 25 N -0.23 0.26 -0.47 0.00 -0.02 -1.26 -0.63 135.00 132.65 1j4e n PRO 25 Ca 0.07 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1j4e n PRO 25 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1j4e n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4e n GLY 26 N 1.78 1.54 3.89 -1.23 0.00 -1.26 -5.01 105.19 104.91 1j4e n GLY 26 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1j4e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4e s LYS 27 N -0.11 3.31 0.10 1.61 1.02 0.20 -4.51 119.74 121.36 1j4e s LYS 27 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1j4e s LYS 27 Cb 0.00 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1j4e s LYS 27 CO 0.00 0.57 0.11 0.41 -0.92 0.00 0.00 175.35 175.52 1j4e n GLY 28 N 0.04 3.27 3.48 -3.33 0.00 -0.46 -4.63 105.19 103.56 1j4e n GLY 28 Ca -0.06 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1j4e n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4e s ILE 29 N -2.46 3.07 -0.39 -0.61 1.01 0.22 -0.17 121.20 121.86 1j4e s ILE 29 Ca 0.10 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 1j4e s ILE 29 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1j4e s ILE 29 CO 0.07 0.55 0.26 -0.22 0.00 0.00 0.00 174.94 175.60 1j4e s LEU 30 N -0.85 4.92 -1.02 2.97 2.96 0.04 -2.12 118.68 125.58 1j4e s LEU 30 Ca 0.12 -0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 52.92 1j4e s LEU 30 Cb -0.11 -2.10 0.14 0.00 0.50 0.00 0.00 46.19 44.63 1j4e s LEU 30 CO 0.01 -0.42 1.24 0.00 -1.32 0.00 0.00 176.35 175.86 1j4e s ALA 31 N 1.62 3.56 -0.49 5.97 0.00 0.49 -0.86 121.76 132.06 1j4e s ALA 31 Ca 0.04 -2.95 0.03 0.00 0.00 0.00 0.00 51.96 49.07 1j4e s ALA 31 Cb -0.19 -4.09 0.54 0.00 0.00 0.00 0.00 23.12 19.38 1j4e s ALA 31 CO 0.08 -2.93 1.81 0.00 0.00 0.00 0.00 175.76 174.73 1j4e n ALA 32 N 6.31 5.59 -0.46 0.00 0.00 -0.74 -4.27 120.51 126.94 1j4e n ALA 32 Ca 0.28 -3.24 -0.03 0.00 0.00 0.00 0.00 53.44 50.45 1j4e n ALA 32 Cb 0.47 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.83 1j4e n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j4e n ASP 33 N -1.02 4.11 -4.71 0.00 5.75 -1.02 -4.23 116.55 115.44 1j4e n ASP 33 Ca 0.55 -2.85 -0.43 0.00 -0.01 0.00 0.00 54.79 52.04 1j4e n ASP 33 Cb 1.13 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 1j4e n ASP 33 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j4e n GLU 34 N 0.04 2.40 -1.41 0.11 4.71 -1.26 -4.48 120.64 120.74 1j4e n GLU 34 Ca 0.29 0.86 -0.30 0.00 -0.01 0.00 0.00 57.16 57.99 1j4e n GLU 34 Cb 1.09 -2.60 0.22 0.00 -1.01 0.00 0.00 31.44 29.15 1j4e n GLU 34 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1j4e s SER 35 N 0.51 1.69 0.29 1.62 1.04 -1.26 -4.56 113.70 113.04 1j4e s SER 35 Ca 0.68 0.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 1j4e s SER 35 Cb -0.57 -0.60 0.48 0.00 0.10 0.00 0.00 66.02 65.43 1j4e s SER 35 CO 0.47 -3.63 1.92 0.74 0.98 0.00 0.00 173.24 173.71 1j4e h THR 36 N -2.25 1.11 -0.28 2.02 2.02 -1.99 -0.50 112.91 113.04 1j4e h THR 36 Ca -0.44 -0.38 -0.17 0.00 0.77 0.00 0.00 66.41 66.20 1j4e h THR 36 Cb 1.27 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1j4e h THR 36 CO 0.34 0.20 -0.47 1.23 0.37 0.00 0.00 175.52 177.19 1j4e h GLY 37 N 1.09 0.90 0.66 2.16 0.00 -1.99 -2.45 103.07 103.43 1j4e h GLY 37 Ca 0.38 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1j4e h GLY 37 CO -0.13 0.92 -0.20 1.76 0.00 0.00 0.00 176.54 178.88 1j4e h SER 38 N 0.58 -0.48 -0.13 0.19 0.02 -1.77 -2.97 113.55 108.99 1j4e h SER 38 Ca 0.02 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1j4e h SER 38 Cb 1.08 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1j4e h SER 38 CO 0.11 -0.11 0.14 -0.29 -1.14 0.00 0.00 176.83 175.54 1j4e h ILE 39 N -0.93 0.52 -0.41 3.27 6.09 -1.22 -0.77 117.51 124.06 1j4e h ILE 39 Ca -0.06 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1j4e h ILE 39 Cb 0.56 0.89 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1j4e h ILE 39 CO 0.10 0.00 0.24 0.00 -3.07 0.00 0.00 178.15 175.41 1j4e h ALA 40 N 1.84 0.52 -0.37 0.18 0.00 -1.28 0.75 119.26 120.91 1j4e h ALA 40 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1j4e h ALA 40 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1j4e h ALA 40 CO -0.00 0.03 0.20 0.87 0.00 0.00 0.00 179.25 180.35 1j4e h LYS 41 N 0.54 0.40 0.26 0.00 1.79 -1.06 -0.45 116.57 118.05 1j4e h LYS 41 Ca 0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1j4e h LYS 41 Cb 0.02 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1j4e h LYS 41 CO -0.03 0.27 -0.51 0.00 -1.08 0.00 0.00 179.45 178.10 1j4e h ARG 42 N 0.42 -0.81 -0.88 3.15 2.47 -1.15 -1.63 114.38 115.94 1j4e h ARG 42 Ca 0.15 0.06 0.10 0.00 -1.26 0.00 0.00 59.98 59.02 1j4e h ARG 42 Cb 0.03 0.18 -0.06 0.00 -1.65 0.00 0.00 29.97 28.47 1j4e h ARG 42 CO -0.08 -0.54 0.57 -0.07 0.56 0.00 0.00 179.97 180.41 1j4e h LEU 43 N -0.84 0.78 -0.24 3.04 3.38 -0.70 -2.00 115.31 118.72 1j4e h LEU 43 Ca -0.02 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1j4e h LEU 43 Cb 0.80 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1j4e h LEU 43 CO -0.21 0.46 -0.02 -0.61 0.09 0.00 0.00 178.44 178.15 1j4e h GLN 44 N 0.86 0.04 0.00 1.13 4.15 -0.34 -1.50 115.11 119.45 1j4e h GLN 44 Ca 0.41 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.82 1j4e h GLN 44 Cb 0.42 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1j4e h GLN 44 CO -0.17 0.03 0.04 -1.13 -1.93 0.00 0.00 178.83 175.67 1j4e n SER 45 N -5.18 0.00 -1.92 -0.69 3.41 -0.68 -0.49 113.62 108.07 1j4e n SER 45 Ca -0.01 0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.77 1j4e n SER 45 Cb 0.13 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1j4e n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1j4e n ILE 46 N -1.09 0.63 -4.23 -1.33 -5.35 -0.64 -5.02 119.36 102.33 1j4e n ILE 46 Ca 0.00 -1.88 -0.32 0.00 -0.27 0.00 0.00 62.75 60.28 1j4e n ILE 46 Cb 0.04 0.97 -0.08 0.00 -1.74 0.00 0.00 39.64 38.83 1j4e n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j4e n GLY 47 N -0.00 -0.20 3.18 3.28 0.00 0.36 -4.64 105.19 107.17 1j4e n GLY 47 Ca 0.08 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1j4e n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4e s THR 48 N -4.25 1.97 0.42 2.61 2.01 -0.73 -4.99 115.64 112.67 1j4e s THR 48 Ca 0.06 -0.95 -0.27 0.00 0.31 0.00 0.00 61.69 60.85 1j4e s THR 48 Cb -0.03 -1.73 -0.10 0.00 0.01 0.00 0.00 72.50 70.66 1j4e s THR 48 CO 0.96 0.54 1.47 1.21 -0.69 0.00 0.00 174.62 178.10 1j4e n GLU 49 N 3.82 2.47 -2.72 4.92 2.13 -1.26 -4.11 120.64 125.89 1j4e n GLU 49 Ca -0.20 0.87 -0.43 0.00 0.66 0.00 0.00 57.16 58.06 1j4e n GLU 49 Cb 0.52 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.57 1j4e n GLU 49 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j4e n ASN 50 N 0.09 5.12 -4.94 4.31 5.15 -1.26 -4.80 115.26 118.94 1j4e n ASN 50 Ca 0.03 -3.00 -0.19 0.00 -0.60 0.00 0.00 54.58 50.82 1j4e n ASN 50 Cb 0.40 -1.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.08 1j4e n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1j4e s THR 51 N 1.54 2.81 0.05 -0.44 -4.23 -1.26 -5.01 115.64 109.10 1j4e s THR 51 Ca 0.43 -1.18 -0.19 0.00 -1.18 0.00 0.00 61.69 59.57 1j4e s THR 51 Cb 0.02 -3.00 -0.14 0.00 1.34 0.00 0.00 72.50 70.72 1j4e s THR 51 CO 0.01 0.00 1.34 -0.08 -0.54 0.00 0.00 174.62 175.35 1j4e h GLU 52 N 0.85 0.44 -0.56 3.99 4.81 -1.99 -2.42 114.58 119.69 1j4e h GLU 52 Ca -0.41 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 58.61 1j4e h GLU 52 Cb 1.27 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1j4e h GLU 52 CO 0.52 0.83 0.33 1.49 -0.73 0.00 0.00 179.01 181.44 1j4e h GLU 53 N 0.08 0.63 -0.88 1.92 4.57 -1.97 0.29 114.58 119.22 1j4e h GLU 53 Ca 0.02 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1j4e h GLU 53 Cb 0.76 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1j4e h GLU 53 CO 0.05 0.42 0.57 -0.91 -1.18 0.00 0.00 179.01 177.96 1j4e h ASN 54 N 0.65 0.95 -0.14 1.04 2.35 -1.86 0.24 115.58 118.82 1j4e h ASN 54 Ca 0.23 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1j4e h ASN 54 Cb 0.05 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1j4e h ASN 54 CO -0.11 0.66 0.02 0.03 -1.65 0.00 0.00 177.43 176.38 1j4e h ARG 55 N 1.12 0.23 -0.53 0.81 3.08 -0.78 -1.26 114.38 117.05 1j4e h ARG 55 Ca 0.35 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.36 1j4e h ARG 55 Cb -0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1j4e h ARG 55 CO -0.11 0.41 0.31 -0.09 -1.07 0.00 0.00 179.97 179.42 1j4e h ARG 56 N 0.01 0.60 -0.75 0.04 2.43 0.03 -0.21 114.38 116.54 1j4e h ARG 56 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1j4e h ARG 56 Cb 0.29 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1j4e h ARG 56 CO 0.00 0.40 0.48 0.35 -1.51 0.00 0.00 179.97 179.69 1j4e h PHE 57 N 0.62 0.95 -0.23 2.20 3.57 -0.42 0.16 116.94 123.78 1j4e h PHE 57 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1j4e h PHE 57 Cb 0.03 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1j4e h PHE 57 CO -0.07 0.62 0.03 -0.92 -2.23 0.00 0.00 178.31 175.74 1j4e h TYR 58 N 1.02 0.42 -0.50 0.41 3.20 -0.64 0.19 116.97 121.07 1j4e h TYR 58 Ca 0.27 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1j4e h TYR 58 Cb -0.09 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1j4e h TYR 58 CO -0.02 0.53 0.07 0.00 -1.64 0.00 0.00 178.16 177.11 1j4e h ARG 59 N 0.19 0.78 -0.11 1.82 -0.00 -0.84 -2.33 114.38 113.89 1j4e h ARG 59 Ca 0.07 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.98 59.37 1j4e h ARG 59 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 1j4e h ARG 59 CO 0.01 0.74 0.07 0.37 0.00 0.00 0.00 179.97 181.15 1j4e h GLN 60 N 0.74 0.16 -0.79 0.04 4.15 -0.37 0.34 115.11 119.38 1j4e h GLN 60 Ca 0.16 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.75 1j4e h GLN 60 Cb 0.35 -0.03 -0.13 0.00 0.21 0.00 0.00 27.48 27.88 1j4e h GLN 60 CO 0.01 0.16 0.13 1.25 -1.93 0.00 0.00 178.83 178.44 1j4e h LEU 61 N 0.11 -0.14 0.16 -2.39 6.46 -0.10 -0.27 115.31 119.13 1j4e h LEU 61 Ca 0.04 0.18 -0.27 0.00 -0.12 0.00 0.00 57.88 57.71 1j4e h LEU 61 Cb 0.05 0.28 0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1j4e h LEU 61 CO -0.01 -0.13 -1.16 -0.07 -0.62 0.00 0.00 178.44 176.45 1j4e h LEU 62 N 0.18 0.75 -1.14 2.25 3.38 -1.17 -3.31 115.31 116.26 1j4e h LEU 62 Ca 0.46 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1j4e h LEU 62 Cb 0.85 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1j4e h LEU 62 CO -0.62 1.56 0.00 -0.07 0.09 0.00 0.00 178.44 179.40 1j4e h LEU 63 N 0.06 0.00 -3.20 1.67 3.38 -0.23 -3.19 115.31 113.80 1j4e h LEU 63 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1j4e h LEU 63 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1j4e h LEU 63 CO 0.22 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.10 1j4e n THR 64 N -2.80 2.16 -1.10 0.22 -2.24 -0.18 -4.71 114.28 105.64 1j4e n THR 64 Ca 0.01 -1.91 -0.34 0.00 -2.27 0.00 0.00 64.05 59.55 1j4e n THR 64 Cb 0.29 -0.22 0.12 0.00 -2.10 0.00 0.00 70.33 68.42 1j4e n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4e n ALA 65 N -0.63 -0.49 -0.74 6.98 0.00 -1.21 -4.91 120.51 119.53 1j4e n ALA 65 Ca 0.20 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 1j4e n ALA 65 Cb 0.83 -2.15 0.15 0.00 0.00 0.00 0.00 19.45 18.28 1j4e n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j4e n ASP 66 N -2.67 -2.40 0.00 0.00 5.68 -1.26 -4.82 116.55 111.09 1j4e n ASP 66 Ca 0.12 0.05 0.04 0.00 -0.50 0.00 0.00 54.79 54.51 1j4e n ASP 66 Cb 0.51 -1.02 0.26 0.00 -1.14 0.00 0.00 41.12 39.72 1j4e n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1j4e n ASP 67 N -1.24 0.00 0.23 -1.12 8.00 -1.26 -2.92 116.55 118.23 1j4e n ASP 67 Ca 0.03 -0.22 0.09 0.00 0.71 0.00 0.00 54.79 55.39 1j4e n ASP 67 Cb 0.59 -0.04 0.55 0.00 -0.02 0.00 0.00 41.12 42.21 1j4e n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1j4e h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -1.96 114.38 112.26 1j4e h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j4e h ARG 68 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1j4e h ARG 68 CO 0.00 0.22 0.00 -0.24 -1.07 0.00 0.00 179.97 178.88 1j4e h VAL 69 N 0.00 0.00 -0.16 2.04 3.04 -1.86 -3.37 116.25 115.94 1j4e h VAL 69 Ca -0.00 -0.48 0.05 0.00 -1.01 0.00 0.00 66.70 65.26 1j4e h VAL 69 Cb 0.51 1.43 -0.07 0.00 -2.01 0.00 0.00 31.29 31.14 1j4e h VAL 69 CO 0.03 0.00 -0.37 0.78 -1.01 0.00 0.00 177.57 177.00 1j4e h ASN 70 N 0.00 -1.17 0.46 3.17 4.21 -1.58 -0.98 115.58 119.69 1j4e h ASN 70 Ca 0.00 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1j4e h ASN 70 Cb 0.68 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1j4e h ASN 70 CO 0.00 -0.39 0.00 -0.81 -1.29 0.00 0.00 177.43 174.94 1j4e n PRO 71 N -5.42 0.02 -0.01 0.81 -0.04 -1.26 -2.70 135.00 126.39 1j4e n PRO 71 Ca -0.03 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1j4e n PRO 71 Cb 0.35 -1.54 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 1j4e n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4e n ALA 72 N -1.53 1.96 -3.36 0.55 0.00 -0.48 -4.25 120.51 113.40 1j4e n ALA 72 Ca 0.03 -0.74 -0.45 0.00 0.00 0.00 0.00 53.44 52.28 1j4e n ALA 72 Cb 0.15 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 1j4e n ALA 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j4e s ILE 73 N -2.91 5.03 -0.44 0.00 -1.09 -0.54 -1.35 121.20 119.90 1j4e s ILE 73 Ca -0.06 -1.60 0.23 0.00 -2.23 0.00 0.00 60.65 56.99 1j4e s ILE 73 Cb 0.09 -4.24 0.32 0.00 -1.58 0.00 0.00 42.46 37.06 1j4e s ILE 73 CO 0.83 -0.86 1.59 1.23 -1.23 0.00 0.00 174.94 176.50 1j4e h GLY 74 N 8.75 0.00 -3.70 6.18 0.00 -0.73 -3.38 103.07 110.19 1j4e h GLY 74 Ca -0.27 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.25 1j4e h GLY 74 CO 0.99 0.00 0.67 -0.32 0.00 0.00 0.00 176.54 177.89 1j4e s GLY 75 N -4.19 -0.34 -0.02 4.60 0.00 -1.04 -1.78 107.32 104.54 1j4e s GLY 75 Ca 0.07 1.45 -0.00 0.00 0.00 0.00 0.00 44.72 46.24 1j4e s GLY 75 CO 0.67 0.52 0.04 0.54 0.00 0.00 0.00 173.10 174.86 1j4e s VAL 76 N -2.54 -0.06 -0.04 1.40 0.11 -0.77 -0.78 120.40 117.73 1j4e s VAL 76 Ca 0.07 0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.13 1j4e s VAL 76 Cb -0.01 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.70 1j4e s VAL 76 CO -0.06 0.09 0.59 -0.63 -3.33 0.00 0.00 175.10 171.76 1j4e s ILE 77 N 1.08 4.99 0.23 7.04 1.01 -0.04 -0.77 121.20 134.75 1j4e s ILE 77 Ca -0.09 1.22 0.11 0.00 0.00 0.00 0.00 60.65 61.90 1j4e s ILE 77 Cb -0.13 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1j4e s ILE 77 CO -0.03 0.37 -0.19 -0.76 0.00 0.00 0.00 174.94 174.34 1j4e s LEU 78 N 0.13 2.63 0.30 2.97 1.43 0.11 -1.80 118.68 124.45 1j4e s LEU 78 Ca 0.31 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1j4e s LEU 78 Cb -0.18 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1j4e s LEU 78 CO 0.16 0.07 0.58 0.12 0.23 0.00 0.00 176.35 177.52 1j4e s PHE 79 N -2.08 3.47 0.21 0.29 5.36 -1.26 -1.74 117.98 122.23 1j4e s PHE 79 Ca 0.26 0.73 -0.20 0.00 -0.96 0.00 0.00 56.93 56.75 1j4e s PHE 79 Cb -0.07 -2.17 0.17 0.00 -0.34 0.00 0.00 43.02 40.62 1j4e s PHE 79 CO 0.13 0.14 1.54 1.58 -1.46 0.00 0.00 175.22 177.16 1j4e n HIS 80 N -0.89 -0.07 0.02 10.12 -0.00 -1.26 -1.79 115.22 121.35 1j4e n HIS 80 Ca -0.01 1.23 -0.14 0.00 -0.00 0.00 0.00 57.72 58.80 1j4e n HIS 80 Cb 0.54 -0.81 -0.08 0.00 -0.00 0.00 0.00 29.99 29.64 1j4e n HIS 80 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1j4e h GLU 81 N 0.00 -0.54 -0.73 1.57 4.81 -1.98 -2.66 114.58 115.04 1j4e h GLU 81 Ca 0.31 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.69 1j4e h GLU 81 Cb 0.55 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 1j4e h GLU 81 CO -0.98 -0.36 0.33 1.15 -0.73 0.00 0.00 179.01 178.42 1j4e h THR 82 N -0.56 0.75 -0.01 0.32 2.02 -1.74 -0.54 112.91 113.14 1j4e h THR 82 Ca 0.05 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1j4e h THR 82 Cb 0.67 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1j4e h THR 82 CO -0.39 0.10 0.34 0.25 0.37 0.00 0.00 175.52 176.19 1j4e h LEU 83 N 0.53 0.00 -3.06 2.58 5.85 -1.07 0.13 115.31 120.26 1j4e h LEU 83 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1j4e h LEU 83 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1j4e h LEU 83 CO -0.33 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.55 1j4e n TYR 84 N -2.91 0.43 -3.16 1.25 4.01 -0.22 -4.55 117.16 112.02 1j4e n TYR 84 Ca -0.02 -0.75 -0.18 0.00 -0.16 0.00 0.00 57.90 56.79 1j4e n TYR 84 Cb 0.39 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 39.27 1j4e n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1j4e s GLN 85 N -2.10 2.93 0.11 -0.72 -0.21 0.44 -4.99 119.66 115.13 1j4e s GLN 85 Ca 0.28 -1.08 0.06 0.00 0.02 0.00 0.00 55.36 54.64 1j4e s GLN 85 Cb 0.22 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 1j4e s GLN 85 CO 0.07 -0.18 -0.14 0.15 -2.12 0.00 0.00 175.29 173.07 1j4e s LYS 86 N -4.32 0.99 0.70 2.91 1.02 -1.26 -1.49 119.74 118.28 1j4e s LYS 86 Ca 0.51 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.21 1j4e s LYS 86 Cb -0.10 -0.91 0.02 0.00 -0.52 0.00 0.00 37.83 36.32 1j4e s LYS 86 CO 0.33 0.18 1.07 0.00 -0.92 0.00 0.00 175.35 176.02 1j4e s ALA 87 N -1.93 2.94 0.36 5.17 0.00 -0.33 -4.89 121.76 123.08 1j4e s ALA 87 Ca 0.07 -0.43 0.14 0.00 0.00 0.00 0.00 51.96 51.75 1j4e s ALA 87 Cb -0.06 -2.95 1.00 0.00 0.00 0.00 0.00 23.12 21.11 1j4e s ALA 87 CO 0.03 -1.13 1.76 -0.44 0.00 0.00 0.00 175.76 175.97 1j4e h ASP 88 N -0.62 0.55 0.00 0.00 3.32 -1.98 0.36 116.42 118.05 1j4e h ASP 88 Ca -0.45 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1j4e h ASP 88 Cb 1.26 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1j4e h ASP 88 CO 0.63 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 1j4e n ASP 89 N -4.72 0.00 0.00 6.45 5.68 -1.26 -4.85 116.55 117.85 1j4e n ASP 89 Ca 0.26 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1j4e n ASP 89 Cb 0.81 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 1j4e n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j4e n GLY 90 N 0.22 2.76 3.75 6.12 0.00 0.13 -5.03 105.19 113.14 1j4e n GLY 90 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1j4e n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4e s ARG 91 N -0.33 4.36 0.25 1.61 0.52 -1.26 -4.68 118.95 119.41 1j4e s ARG 91 Ca 0.00 2.15 -0.30 0.00 -0.52 0.00 0.00 55.73 57.06 1j4e s ARG 91 Cb 0.00 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 32.23 1j4e s ARG 91 CO 0.00 -0.27 1.41 -2.14 0.02 0.00 0.00 175.30 174.32 1j4e s PRO 92 N -0.58 4.29 0.30 3.54 0.02 -1.26 -1.19 135.00 140.11 1j4e s PRO 92 Ca 0.55 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1j4e s PRO 92 Cb -0.38 -3.12 0.75 0.00 0.02 0.00 0.00 34.50 31.76 1j4e s PRO 92 CO 0.43 -0.38 1.61 0.74 -0.33 0.00 0.00 177.00 179.07 1j4e h PHE 93 N 4.94 0.20 -0.55 6.54 0.04 -1.53 0.69 116.94 127.27 1j4e h PHE 93 Ca -0.46 0.06 0.14 0.00 2.80 0.00 0.00 57.97 60.51 1j4e h PHE 93 Cb 1.22 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 39.40 1j4e h PHE 93 CO 0.60 -0.32 0.38 -1.35 -0.60 0.00 0.00 178.31 177.03 1j4e h PRO 94 N 0.11 0.10 -0.12 1.51 0.11 -1.85 -0.71 132.00 131.16 1j4e h PRO 94 Ca 0.58 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.57 1j4e h PRO 94 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1j4e h PRO 94 CO -0.76 0.07 -0.35 0.37 -0.21 0.00 0.00 178.00 177.12 1j4e h GLN 95 N 0.10 0.44 0.09 1.05 4.15 0.04 -1.07 115.11 119.92 1j4e h GLN 95 Ca 0.26 -0.32 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1j4e h GLN 95 Cb 0.89 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.60 1j4e h GLN 95 CO -0.03 0.94 -0.26 0.28 -1.93 0.00 0.00 178.83 177.84 1j4e h VAL 96 N 0.02 0.43 -0.52 2.39 2.07 -0.83 0.31 116.25 120.12 1j4e h VAL 96 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1j4e h VAL 96 Cb 0.97 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1j4e h VAL 96 CO 0.07 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.20 1j4e h ILE 97 N -0.45 0.74 0.00 4.57 2.04 -1.24 -1.88 117.51 121.30 1j4e h ILE 97 Ca 0.04 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1j4e h ILE 97 Cb 0.49 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1j4e h ILE 97 CO -0.16 0.05 -0.42 0.50 0.00 0.00 0.00 178.15 178.12 1j4e h LYS 98 N 0.29 0.00 0.00 2.37 3.64 -0.62 -2.10 116.57 120.15 1j4e h LYS 98 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1j4e h LYS 98 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1j4e h LYS 98 CO -0.31 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 177.95 1j4e h SER 99 N 0.00 0.00 -0.50 4.20 4.64 0.40 -2.72 113.55 119.57 1j4e h SER 99 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j4e h SER 99 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1j4e h SER 99 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1j4e n LYS 100 N -2.91 2.34 -0.68 4.77 5.02 -0.98 -4.93 118.16 120.79 1j4e n LYS 100 Ca 0.03 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 1j4e n LYS 100 Cb 0.40 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1j4e n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4e n GLY 101 N 1.43 0.66 3.65 0.72 0.00 -1.02 -4.70 105.19 105.93 1j4e n GLY 101 Ca 0.19 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1j4e n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4e s GLY 102 N -2.62 1.67 0.11 -0.02 0.00 -0.81 -4.80 107.32 100.86 1j4e s GLY 102 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 44.72 43.07 1j4e s GLY 102 CO 0.00 -1.57 0.48 0.14 0.00 0.00 0.00 173.10 172.15 1j4e s VAL 103 N -2.03 4.97 -0.12 1.40 1.01 -0.73 -3.77 120.40 121.12 1j4e s VAL 103 Ca 0.29 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 1j4e s VAL 103 Cb -0.08 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1j4e s VAL 103 CO 0.19 0.27 0.53 -0.69 0.00 0.00 0.00 175.10 175.40 1j4e s VAL 104 N -1.42 5.15 0.11 2.92 1.01 -1.26 -1.85 120.40 125.06 1j4e s VAL 104 Ca 0.35 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1j4e s VAL 104 Cb -0.15 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1j4e s VAL 104 CO 0.18 0.29 -0.19 -0.83 0.00 0.00 0.00 175.10 174.56 1j4e s GLY 105 N 0.71 1.68 -0.05 4.51 0.00 0.05 -0.71 107.32 113.51 1j4e s GLY 105 Ca 0.28 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1j4e s GLY 105 CO 0.12 -1.32 -0.08 -1.50 0.00 0.00 0.00 173.10 170.31 1j4e s ILE 106 N -1.13 0.82 0.02 0.90 1.10 -0.32 0.08 121.20 122.68 1j4e s ILE 106 Ca 0.17 -0.29 -0.30 0.00 -0.51 0.00 0.00 60.65 59.72 1j4e s ILE 106 Cb -0.11 -0.79 -0.04 0.00 0.15 0.00 0.00 42.46 41.67 1j4e s ILE 106 CO 0.10 0.29 1.02 -0.75 -2.11 0.00 0.00 174.94 173.48 1j4e s LYS 107 N 0.80 4.55 0.00 3.50 2.20 -0.71 -2.37 119.74 127.70 1j4e s LYS 107 Ca -0.13 1.49 0.05 0.00 -0.36 0.00 0.00 55.97 57.02 1j4e s LYS 107 Cb -0.15 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1j4e s LYS 107 CO 0.02 -0.07 0.36 1.33 -0.36 0.00 0.00 175.35 176.63 1j4e n VAL 108 N 3.80 0.00 -2.69 4.02 0.24 -0.98 -4.62 118.33 118.10 1j4e n VAL 108 Ca 0.06 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.34 61.60 1j4e n VAL 108 Cb 0.50 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.85 1j4e n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1j4e s ASP 109 N -1.10 6.67 -0.52 -1.34 1.47 -1.25 -4.81 116.67 115.77 1j4e s ASP 109 Ca 0.03 1.79 0.02 0.00 1.18 0.00 0.00 52.55 55.58 1j4e s ASP 109 Cb 0.04 -2.55 0.44 0.00 -0.34 0.00 0.00 42.92 40.51 1j4e s ASP 109 CO 0.15 -0.55 1.61 0.29 0.68 0.00 0.00 175.17 177.35 1j4e n LYS 110 N -0.81 3.13 -0.12 2.11 5.02 0.53 -4.97 118.16 123.06 1j4e n LYS 110 Ca 0.08 -3.79 0.02 0.00 -2.02 0.00 0.00 58.31 52.59 1j4e n LYS 110 Cb 0.53 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.26 1j4e n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4e n GLY 111 N -0.74 -1.84 3.89 0.72 0.00 -1.26 -4.66 105.19 101.31 1j4e n GLY 111 Ca 0.52 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1j4e n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j4e s VAL 112 N -1.87 4.90 0.04 1.61 -7.23 -1.26 -1.76 120.40 114.83 1j4e s VAL 112 Ca 0.00 0.31 0.02 0.00 -1.81 0.00 0.00 61.98 60.50 1j4e s VAL 112 Cb 0.00 -3.77 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 1j4e s VAL 112 CO 0.00 -0.54 -0.08 0.68 -0.31 0.00 0.00 175.10 174.85 1j4e s VAL 113 N -2.38 0.55 0.37 1.32 -7.23 0.72 -4.88 120.40 108.88 1j4e s VAL 113 Ca 0.48 -1.09 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 1j4e s VAL 113 Cb -0.10 -0.62 -0.09 0.00 0.56 0.00 0.00 36.38 36.13 1j4e s VAL 113 CO 0.34 -0.38 1.21 -2.16 -0.31 0.00 0.00 175.10 173.80 1j4e s PRO 114 N -1.59 4.18 -0.45 4.82 0.04 -1.26 -1.46 135.00 139.28 1j4e s PRO 114 Ca -0.10 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 1j4e s PRO 114 Cb -0.10 -2.84 0.08 0.00 0.04 0.00 0.00 34.50 31.68 1j4e s PRO 114 CO 0.00 -0.25 0.35 -1.17 0.04 0.00 0.00 177.00 175.97 1j4e s LEU 115 N -2.20 5.46 0.48 -3.56 2.96 -0.66 -4.82 118.68 116.33 1j4e s LEU 115 Ca 0.54 -1.40 -0.22 0.00 -0.22 0.00 0.00 54.13 52.82 1j4e s LEU 115 Cb -0.34 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.15 1j4e s LEU 115 CO 0.44 -0.61 0.97 0.00 -1.32 0.00 0.00 176.35 175.83 1j4e n ALA 116 N 5.09 0.14 -0.98 5.97 0.00 -1.26 -2.46 120.51 127.01 1j4e n ALA 116 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1j4e n ALA 116 Cb 0.43 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1j4e n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j4e n GLY 117 N 1.24 0.84 3.70 0.00 0.00 -1.26 -5.02 105.19 104.69 1j4e n GLY 117 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1j4e n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j4e s THR 118 N -3.41 2.53 -1.40 2.61 -4.23 -1.03 -5.03 115.64 105.67 1j4e s THR 118 Ca 0.00 -1.80 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1j4e s THR 118 Cb 0.00 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1j4e s THR 118 CO 0.00 -0.10 2.12 -3.20 -0.54 0.00 0.00 174.62 172.90 1j4e n ASN 119 N -1.11 4.26 -1.22 3.99 5.15 -1.26 -4.41 115.26 120.66 1j4e n ASN 119 Ca -0.03 -2.92 -0.11 0.00 -0.60 0.00 0.00 54.58 50.92 1j4e n ASN 119 Cb 0.63 -1.60 -0.01 0.00 -0.53 0.00 0.00 39.78 38.27 1j4e n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j4e n GLY 120 N 3.71 0.02 3.95 8.20 0.00 -1.26 -5.03 105.19 114.79 1j4e n GLY 120 Ca 0.48 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1j4e n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j4e s GLU 121 N -4.42 3.07 0.19 1.61 2.02 -1.26 -5.00 118.70 114.91 1j4e s GLU 121 Ca 0.00 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 1j4e s GLU 121 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1j4e s GLU 121 CO 0.00 -0.30 0.10 0.95 0.02 0.00 0.00 175.26 176.03 1j4e s THR 122 N -2.60 0.12 0.36 3.63 -4.23 -1.26 -1.66 115.64 110.00 1j4e s THR 122 Ca 0.49 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1j4e s THR 122 Cb -0.10 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1j4e s THR 122 CO 0.39 -0.15 0.19 0.28 -0.54 0.00 0.00 174.62 174.78 1j4e s THR 123 N -4.06 0.33 0.07 3.99 -1.32 -0.53 -4.74 115.64 109.37 1j4e s THR 123 Ca 0.34 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.87 1j4e s THR 123 Cb 0.07 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1j4e s THR 123 CO 0.09 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 172.77 1j4e s THR 124 N -3.38 1.18 0.41 5.08 -4.23 -1.26 -0.20 115.64 113.24 1j4e s THR 124 Ca 0.32 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1j4e s THR 124 Cb 0.03 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 1j4e s THR 124 CO 0.19 -0.18 0.38 0.00 -0.54 0.00 0.00 174.62 174.47 1j4e s GLN 125 N -1.69 2.56 0.00 3.99 -2.07 -0.72 -4.91 119.66 116.82 1j4e s GLN 125 Ca -0.01 -1.51 0.00 0.00 -1.82 0.00 0.00 55.36 52.03 1j4e s GLN 125 Cb -0.10 -2.40 0.00 0.00 -1.09 0.00 0.00 33.01 29.42 1j4e s GLN 125 CO 0.02 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 1j4e n GLY 126 N -1.54 -0.73 0.13 2.60 0.00 -1.26 -0.35 105.19 104.04 1j4e n GLY 126 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1j4e n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4e h LEU 127 N 0.00 0.00 -9.44 0.99 3.38 -1.91 -3.40 115.31 104.93 1j4e h LEU 127 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1j4e h LEU 127 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 1j4e h LEU 127 CO 0.00 0.63 0.99 0.47 0.09 0.00 0.00 178.44 180.62 1j4e n ASP 128 N -3.70 3.51 -1.56 -0.43 8.00 -1.26 -1.47 116.55 119.65 1j4e n ASP 128 Ca -0.01 1.02 -0.18 0.00 0.71 0.00 0.00 54.79 56.33 1j4e n ASP 128 Cb 0.65 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.22 1j4e n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4e n GLY 129 N 3.97 1.64 0.30 0.44 0.00 -1.26 -4.85 105.19 105.43 1j4e n GLY 129 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 1j4e n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j4e h LEU 130 N 0.00 0.62 0.11 0.99 5.85 -1.48 -2.34 115.31 119.06 1j4e h LEU 130 Ca -0.37 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1j4e h LEU 130 Cb 1.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1j4e h LEU 130 CO 0.54 0.59 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.89 1j4e h SER 131 N 0.67 -0.13 0.26 1.25 0.87 -1.89 0.99 113.55 115.57 1j4e h SER 131 Ca 0.16 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1j4e h SER 131 Cb 0.19 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1j4e h SER 131 CO -0.01 -0.02 -0.19 1.05 -0.53 0.00 0.00 176.83 177.14 1j4e h GLU 132 N -0.24 0.00 -0.25 2.24 9.09 -1.94 -1.39 114.58 122.09 1j4e h GLU 132 Ca -0.02 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.31 1j4e h GLU 132 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 1j4e h GLU 132 CO 0.03 0.19 -0.19 0.00 0.05 0.00 0.00 179.01 179.08 1j4e h ARG 133 N 0.00 0.58 -0.51 1.06 3.08 -0.84 -2.29 114.38 115.45 1j4e h ARG 133 Ca -0.00 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1j4e h ARG 133 Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1j4e h ARG 133 CO 0.02 0.86 -0.01 0.00 -1.07 0.00 0.00 179.97 179.78 1j4e h ALA 135 N 0.94 1.24 -0.18 0.00 0.00 -1.23 0.31 119.26 120.35 1j4e h ALA 135 Ca 0.14 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1j4e h ALA 135 Cb 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j4e h ALA 135 CO 0.03 0.30 -0.24 0.37 0.00 0.00 0.00 179.25 179.70 1j4e h GLN 136 N 1.00 0.47 -0.48 0.00 5.75 -1.12 -2.51 115.11 118.22 1j4e h GLN 136 Ca 0.39 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1j4e h GLN 136 Cb 0.20 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1j4e h GLN 136 CO -0.18 0.86 0.21 1.88 -2.65 0.00 0.00 178.83 178.95 1j4e h TYR 137 N 0.12 0.66 0.17 3.99 0.05 -0.39 -1.22 116.97 120.35 1j4e h TYR 137 Ca 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1j4e h TYR 137 Cb 0.80 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1j4e h TYR 137 CO 0.09 0.50 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.40 1j4e h LYS 138 N 0.67 -0.22 -0.68 4.88 1.63 -0.31 -1.16 116.57 121.37 1j4e h LYS 138 Ca 0.17 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1j4e h LYS 138 Cb 0.10 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1j4e h LYS 138 CO -0.02 -0.11 0.45 0.87 -3.45 0.00 0.00 179.45 177.19 1j4e h LYS 139 N -0.26 0.62 -0.81 1.90 1.57 -0.98 -2.19 116.57 116.42 1j4e h LYS 139 Ca -0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1j4e h LYS 139 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1j4e h LYS 139 CO 0.04 0.41 0.04 -0.25 -0.57 0.00 0.00 179.45 179.12 1j4e n ASP 140 N -4.48 3.42 0.00 0.86 8.00 -0.51 -4.91 116.55 118.93 1j4e n ASP 140 Ca 0.10 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1j4e n ASP 140 Cb 0.27 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1j4e n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4e n GLY 141 N 0.24 3.05 3.77 0.44 0.00 -0.82 -4.92 105.19 106.94 1j4e n GLY 141 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1j4e n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4e s ALA 142 N -2.66 3.24 0.00 4.61 0.00 -0.48 -4.38 121.76 122.09 1j4e s ALA 142 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1j4e s ALA 142 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1j4e s ALA 142 CO 0.00 -0.09 0.03 -0.25 0.00 0.00 0.00 175.76 175.45 1j4e n ASP 143 N 0.61 0.05 -3.82 0.00 8.00 0.11 -4.18 116.55 117.33 1j4e n ASP 143 Ca 0.02 -0.42 -0.10 0.00 0.71 0.00 0.00 54.79 55.00 1j4e n ASP 143 Cb 0.48 0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 42.21 1j4e n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1j4e s PHE 144 N -0.70 0.05 0.38 1.24 -0.12 -1.15 -1.25 117.98 116.44 1j4e s PHE 144 Ca 0.00 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.54 1j4e s PHE 144 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1j4e s PHE 144 CO 0.00 -0.52 0.10 0.00 -0.05 0.00 0.00 175.22 174.75 1j4e s ALA 145 N -3.33 2.78 -0.09 1.99 0.00 0.27 -1.18 121.76 122.20 1j4e s ALA 145 Ca 0.01 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1j4e s ALA 145 Cb 0.02 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1j4e s ALA 145 CO -0.08 -0.32 0.23 0.21 0.00 0.00 0.00 175.76 175.80 1j4e s LYS 146 N -3.78 0.22 -0.07 0.00 2.36 -1.00 -1.34 119.74 116.13 1j4e s LYS 146 Ca 0.27 0.42 -0.01 0.00 -2.55 0.00 0.00 55.97 54.09 1j4e s LYS 146 Cb 0.04 -0.01 0.03 0.00 -1.05 0.00 0.00 37.83 36.84 1j4e s LYS 146 CO 0.14 -0.10 0.01 -0.46 1.55 0.00 0.00 175.35 176.49 1j4e s TRP 147 N 0.74 0.60 -0.20 4.03 -0.11 -1.22 -2.31 118.94 120.47 1j4e s TRP 147 Ca -0.05 -0.12 -0.10 0.00 1.22 0.00 0.00 56.10 57.05 1j4e s TRP 147 Cb -0.06 -0.76 -0.05 0.00 -1.50 0.00 0.00 33.47 31.09 1j4e s TRP 147 CO -0.04 -0.31 0.12 0.50 -4.62 0.00 0.00 176.95 172.59 1j4e s ARG 148 N 2.00 4.14 0.03 5.86 3.52 -1.26 -3.00 118.95 130.23 1j4e s ARG 148 Ca 0.05 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.45 1j4e s ARG 148 Cb -0.12 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1j4e s ARG 148 CO -0.05 0.28 -0.11 0.00 -0.81 0.00 0.00 175.30 174.61 1j4e s VAL 150 N -1.00 1.47 0.07 0.00 1.01 -1.26 -2.13 120.40 118.57 1j4e s VAL 150 Ca 0.17 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1j4e s VAL 150 Cb -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1j4e s VAL 150 CO 0.07 0.43 -0.20 -0.76 0.00 0.00 0.00 175.10 174.64 1j4e s LEU 151 N 0.63 2.23 -0.05 3.92 2.01 -0.59 -4.42 118.68 122.40 1j4e s LEU 151 Ca -0.14 -0.59 0.04 0.00 0.01 0.00 0.00 54.13 53.44 1j4e s LEU 151 Cb -0.16 -0.91 -0.00 0.00 0.01 0.00 0.00 46.19 45.13 1j4e s LEU 151 CO 0.04 0.11 -0.16 -1.59 1.01 0.00 0.00 176.35 175.76 1j4e s LYS 152 N -1.50 1.77 -0.10 1.70 -2.85 -1.26 -0.91 119.74 116.59 1j4e s LYS 152 Ca 0.07 -0.57 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 1j4e s LYS 152 Cb -0.09 -1.51 -0.02 0.00 -2.06 0.00 0.00 37.83 34.15 1j4e s LYS 152 CO 0.03 0.20 0.93 0.42 0.10 0.00 0.00 175.35 177.03 1j4e s ILE 153 N 0.16 4.85 0.00 3.79 1.01 -1.26 -3.24 121.20 126.51 1j4e s ILE 153 Ca -0.06 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1j4e s ILE 153 Cb -0.12 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1j4e s ILE 153 CO 0.03 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1j4e n GLY 154 N 3.14 2.80 0.43 6.18 0.00 -0.72 -4.73 105.19 112.29 1j4e n GLY 154 Ca 0.06 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1j4e n GLY 154 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1j4e h GLU 155 N 0.00 -0.52 -0.10 1.61 -0.00 -2.01 -3.21 114.58 110.36 1j4e h GLU 155 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 59.37 1j4e h GLU 155 Cb 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 28.85 1j4e h GLU 155 CO 0.00 -0.34 -0.15 0.72 -0.00 0.00 0.00 179.01 179.24 1j4e n HIS 156 N -5.44 0.32 -4.20 2.06 8.25 -1.26 -5.02 115.22 109.94 1j4e n HIS 156 Ca -0.05 -1.21 -0.18 0.00 -0.26 0.00 0.00 57.72 56.02 1j4e n HIS 156 Cb 0.37 -0.26 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 1j4e n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j4e s THR 157 N -3.02 1.10 0.24 1.59 -4.23 -1.21 -3.49 115.64 106.61 1j4e s THR 157 Ca 0.37 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 1j4e s THR 157 Cb 0.33 -1.05 -0.09 0.00 1.34 0.00 0.00 72.50 73.03 1j4e s THR 157 CO 0.01 -0.19 1.20 -2.84 -0.54 0.00 0.00 174.62 172.25 1j4e s PRO 158 N -1.64 4.50 0.72 3.99 0.02 -1.20 -1.75 135.00 139.63 1j4e s PRO 158 Ca -0.02 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 1j4e s PRO 158 Cb -0.10 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.25 1j4e s PRO 158 CO 0.02 -0.04 1.09 -1.54 -0.33 0.00 0.00 177.00 176.21 1j4e s SER 159 N -0.23 5.33 0.20 2.53 1.04 -1.23 -4.85 113.70 116.49 1j4e s SER 159 Ca 0.50 1.18 -0.11 0.00 0.48 0.00 0.00 55.95 58.01 1j4e s SER 159 Cb -0.34 -1.98 0.21 0.00 0.10 0.00 0.00 66.02 64.00 1j4e s SER 159 CO 0.41 -1.42 1.79 0.00 0.98 0.00 0.00 173.24 175.00 1j4e h ALA 160 N -0.71 0.79 -0.15 5.32 0.00 -2.00 -1.42 119.26 121.11 1j4e h ALA 160 Ca -0.45 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1j4e h ALA 160 Cb 1.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1j4e h ALA 160 CO 0.63 -0.03 -0.08 1.25 0.00 0.00 0.00 179.25 181.01 1j4e h LEU 161 N 0.59 -0.27 -0.40 0.00 6.46 -1.99 0.76 115.31 120.46 1j4e h LEU 161 Ca 0.27 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.16 1j4e h LEU 161 Cb 0.19 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 1j4e h LEU 161 CO -0.19 -0.11 0.08 0.00 -0.62 0.00 0.00 178.44 177.60 1j4e h ALA 162 N 1.05 0.43 -0.32 1.25 0.00 -1.77 0.12 119.26 120.01 1j4e h ALA 162 Ca 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1j4e h ALA 162 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1j4e h ALA 162 CO -0.19 -0.33 0.13 0.82 0.00 0.00 0.00 179.25 179.68 1j4e h ILE 163 N 0.20 1.18 0.77 0.00 2.04 -0.87 -1.97 117.51 118.85 1j4e h ILE 163 Ca 0.19 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1j4e h ILE 163 Cb 0.23 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1j4e h ILE 163 CO -0.25 0.19 -0.37 -0.03 0.00 0.00 0.00 178.15 177.68 1j4e h MET 164 N 0.37 -0.99 -0.79 2.37 4.05 -0.27 -2.44 114.93 117.22 1j4e h MET 164 Ca 0.11 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1j4e h MET 164 Cb 0.17 0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 1j4e h MET 164 CO -0.01 -0.65 0.50 1.49 0.23 0.00 0.00 176.91 178.47 1j4e h GLU 165 N -1.08 1.06 -0.03 0.39 4.57 -0.84 -1.34 114.58 117.31 1j4e h GLU 165 Ca -0.11 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 57.83 1j4e h GLU 165 Cb 0.80 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1j4e h GLU 165 CO 0.17 0.72 -0.74 -0.91 -1.18 0.00 0.00 179.01 177.08 1j4e h ASN 166 N 1.09 0.21 0.06 1.04 -0.26 -1.40 -1.49 115.58 114.83 1j4e h ASN 166 Ca 0.29 -0.15 -0.18 0.00 -0.56 0.00 0.00 56.30 55.70 1j4e h ASN 166 Cb -0.08 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1j4e h ASN 166 CO -0.06 0.88 -0.66 0.00 -1.06 0.00 0.00 177.43 176.53 1j4e h ALA 167 N 1.12 0.58 -0.25 -0.83 0.00 -1.19 -2.28 119.26 116.40 1j4e h ALA 167 Ca -0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 1j4e h ALA 167 Cb 1.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j4e h ALA 167 CO 0.11 0.71 -0.50 -0.97 0.00 0.00 0.00 179.25 178.60 1j4e h ASN 168 N 0.41 0.78 0.38 0.00 -1.24 -1.15 -2.59 115.58 112.17 1j4e h ASN 168 Ca -0.02 -0.39 -0.17 0.00 0.71 0.00 0.00 56.30 56.43 1j4e h ASN 168 Cb 1.23 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.05 1j4e h ASN 168 CO 0.12 1.14 -0.69 1.62 -1.29 0.00 0.00 177.43 178.33 1j4e h VAL 169 N 0.56 1.41 -0.30 2.57 3.04 -1.26 -2.19 116.25 120.08 1j4e h VAL 169 Ca 0.02 -2.16 -0.05 0.00 -1.01 0.00 0.00 66.70 63.51 1j4e h VAL 169 Cb 1.06 2.12 -0.02 0.00 -2.01 0.00 0.00 31.29 32.45 1j4e h VAL 169 CO 0.10 0.64 -0.02 -0.07 -1.01 0.00 0.00 177.57 177.21 1j4e h LEU 170 N 0.19 0.43 -0.24 3.16 3.38 -1.31 -1.44 115.31 119.48 1j4e h LEU 170 Ca -0.02 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1j4e h LEU 170 Cb 1.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1j4e h LEU 170 CO 0.11 0.51 -0.32 0.00 0.09 0.00 0.00 178.44 178.83 1j4e h ALA 171 N 1.55 0.36 -0.26 1.53 0.00 -1.12 -1.09 119.26 120.23 1j4e h ALA 171 Ca 0.10 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1j4e h ALA 171 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j4e h ALA 171 CO 0.01 0.40 0.12 0.00 0.00 0.00 0.00 179.25 179.78 1j4e h ARG 172 N 0.35 0.25 -0.21 0.00 2.47 -1.05 0.22 114.38 116.40 1j4e h ARG 172 Ca 0.03 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 1j4e h ARG 172 Cb 0.90 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.11 1j4e h ARG 172 CO 0.07 0.16 -0.10 -0.92 0.56 0.00 0.00 179.97 179.75 1j4e h TYR 173 N 0.25 -0.24 -0.48 3.04 3.20 -1.21 -0.78 116.97 120.76 1j4e h TYR 173 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1j4e h TYR 173 Cb 0.04 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1j4e h TYR 173 CO -0.10 -0.16 0.30 0.00 -1.64 0.00 0.00 178.16 176.56 1j4e h ALA 174 N 1.10 0.61 0.09 1.82 0.00 -0.77 -1.59 119.26 120.51 1j4e h ALA 174 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1j4e h ALA 174 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1j4e h ALA 174 CO -0.26 0.07 -0.20 1.03 0.00 0.00 0.00 179.25 179.90 1j4e h SER 175 N 0.64 -0.55 -0.63 0.00 0.87 -0.50 -1.61 113.55 111.76 1j4e h SER 175 Ca 0.17 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1j4e h SER 175 Cb -0.04 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1j4e h SER 175 CO -0.03 -0.28 0.42 0.40 -0.53 0.00 0.00 176.83 176.81 1j4e h ILE 176 N -0.37 1.12 0.81 2.23 2.04 -0.98 -2.52 117.51 119.84 1j4e h ILE 176 Ca 0.03 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1j4e h ILE 176 Cb 0.40 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1j4e h ILE 176 CO -0.12 0.15 -0.39 0.00 0.00 0.00 0.00 178.15 177.79 1j4e h GLN 178 N -1.28 0.00 0.00 0.00 4.20 -1.17 0.47 115.11 117.33 1j4e h GLN 178 Ca -0.11 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1j4e h GLN 178 Cb 0.83 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1j4e h GLN 178 CO 0.18 0.00 -0.28 1.96 -0.67 0.00 0.00 178.83 180.03 1j4e h GLN 179 N 0.00 0.00 -0.39 1.46 1.08 -1.26 -3.01 115.11 112.98 1j4e h GLN 179 Ca 0.08 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.15 1j4e h GLN 179 Cb 0.76 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.12 1j4e h GLN 179 CO -0.00 0.28 0.04 0.09 -0.95 0.00 0.00 178.83 178.29 1j4e n ASN 180 N -3.50 3.47 -1.47 1.46 3.02 0.16 -4.95 115.26 113.45 1j4e n ASN 180 Ca -0.00 -3.36 -0.14 0.00 -0.03 0.00 0.00 54.58 51.05 1j4e n ASN 180 Cb 0.44 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1j4e n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4e n GLY 181 N -0.74 0.13 3.35 7.41 0.00 -1.13 -4.77 105.19 109.44 1j4e n GLY 181 Ca 0.30 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1j4e n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4e s ILE 182 N -2.65 3.15 -0.15 -0.61 -1.09 -0.98 -4.84 121.20 114.02 1j4e s ILE 182 Ca 0.00 -0.60 -0.29 0.00 -2.23 0.00 0.00 60.65 57.52 1j4e s ILE 182 Cb 0.00 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1j4e s ILE 182 CO 0.00 0.49 1.22 -0.69 -1.23 0.00 0.00 174.94 174.74 1j4e s VAL 183 N 0.74 4.33 -0.07 2.92 1.01 -0.38 -2.87 120.40 126.08 1j4e s VAL 183 Ca -0.04 1.61 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 1j4e s VAL 183 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1j4e s VAL 183 CO 0.02 -0.12 0.64 -2.16 0.00 0.00 0.00 175.10 173.48 1j4e s PRO 184 N 3.25 4.40 -0.39 2.72 0.04 -1.25 -0.56 135.00 143.20 1j4e s PRO 184 Ca 0.54 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1j4e s PRO 184 Cb -0.21 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 30.91 1j4e s PRO 184 CO 0.15 0.13 0.36 0.42 0.04 0.00 0.00 177.00 178.09 1j4e s ILE 185 N 0.61 5.18 -0.29 0.56 1.01 -0.45 -2.49 121.20 125.33 1j4e s ILE 185 Ca 0.34 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.39 1j4e s ILE 185 Cb -0.17 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1j4e s ILE 185 CO 0.17 -0.28 0.85 -0.69 0.00 0.00 0.00 174.94 174.99 1j4e s VAL 186 N 1.92 4.75 -0.44 2.92 1.01 -0.33 -3.42 120.40 126.81 1j4e s VAL 186 Ca 0.09 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1j4e s VAL 186 Cb -0.18 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.13 1j4e s VAL 186 CO 0.12 -0.25 0.18 -0.70 0.00 0.00 0.00 175.10 174.44 1j4e s GLU 187 N 3.06 1.81 -1.07 2.72 2.12 -1.16 -0.15 118.70 126.02 1j4e s GLU 187 Ca 0.35 -2.23 -0.05 0.00 0.36 0.00 0.00 54.97 53.40 1j4e s GLU 187 Cb -0.14 -3.32 0.30 0.00 0.26 0.00 0.00 34.13 31.23 1j4e s GLU 187 CO 0.12 -1.04 1.37 -0.35 -0.54 0.00 0.00 175.26 174.82 1j4e n PRO 188 N 3.75 4.19 -2.20 4.30 -0.04 -1.24 -1.13 135.00 142.63 1j4e n PRO 188 Ca 0.04 -4.54 -0.42 0.00 -0.04 0.00 0.00 63.50 58.54 1j4e n PRO 188 Cb 0.38 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1j4e n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1j4e s GLU 189 N -2.45 4.34 -0.42 0.54 2.12 -0.90 -4.60 118.70 117.33 1j4e s GLU 189 Ca 0.31 2.05 -0.08 0.00 0.36 0.00 0.00 54.97 57.61 1j4e s GLU 189 Cb 0.02 -3.24 0.08 0.00 0.26 0.00 0.00 34.13 31.25 1j4e s GLU 189 CO 0.06 -0.39 0.26 0.42 -0.54 0.00 0.00 175.26 175.07 1j4e s ILE 190 N 0.90 4.11 0.28 -3.70 1.01 -1.26 -1.55 121.20 120.99 1j4e s ILE 190 Ca 0.63 -1.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1j4e s ILE 190 Cb -0.36 -3.55 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 1j4e s ILE 190 CO 0.32 -0.53 0.77 0.18 0.00 0.00 0.00 174.94 175.68 1j4e n LEU 191 N 4.88 0.48 0.05 2.97 4.32 -0.09 -4.87 117.00 124.75 1j4e n LEU 191 Ca -0.09 1.12 0.13 0.00 -0.02 0.00 0.00 56.01 57.16 1j4e n LEU 191 Cb 0.43 -1.15 0.51 0.00 -1.62 0.00 0.00 43.42 41.58 1j4e n LEU 191 CO 0.39 -2.16 0.92 -0.81 -1.22 0.00 0.00 177.39 174.50 1j4e n PRO 192 N 0.80 0.13 -1.55 3.23 -0.04 -1.26 -4.42 135.00 131.90 1j4e n PRO 192 Ca 0.13 0.12 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 1j4e n PRO 192 Cb 0.31 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1j4e n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j4e n ASP 193 N -1.89 0.36 0.00 3.54 8.00 -1.26 -1.71 116.55 123.59 1j4e n ASP 193 Ca 0.06 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1j4e n ASP 193 Cb 0.38 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1j4e n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4e n GLY 194 N 1.43 1.09 0.20 0.44 0.00 -1.26 -4.55 105.19 102.54 1j4e n GLY 194 Ca 0.11 -2.26 0.09 0.00 0.00 0.00 0.00 46.02 43.95 1j4e n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4e n ASP 195 N 0.00 2.56 -4.75 1.61 5.75 -1.26 -1.94 116.55 118.53 1j4e n ASP 195 Ca 0.00 -2.97 -0.33 0.00 -0.01 0.00 0.00 54.79 51.48 1j4e n ASP 195 Cb 0.00 -0.41 0.07 0.00 -1.03 0.00 0.00 41.12 39.75 1j4e n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1j4e s HIS 196 N -2.68 2.36 0.33 2.11 -3.43 -1.26 -4.30 115.29 108.42 1j4e s HIS 196 Ca 0.31 1.58 -0.00 0.00 -0.80 0.00 0.00 55.06 56.15 1j4e s HIS 196 Cb 0.26 -3.29 0.07 0.00 -1.43 0.00 0.00 32.58 28.19 1j4e s HIS 196 CO 0.04 -2.08 0.46 -0.40 -2.00 0.00 0.00 174.74 170.75 1j4e n ASP 197 N -2.64 0.61 0.34 7.38 5.68 -1.26 -0.20 116.55 126.47 1j4e n ASP 197 Ca 0.12 -1.52 -0.19 0.00 -0.50 0.00 0.00 54.79 52.70 1j4e n ASP 197 Cb 0.51 -0.30 -0.10 0.00 -1.14 0.00 0.00 41.12 40.10 1j4e n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1j4e h LEU 198 N 0.00 -1.32 -0.74 -2.12 6.46 -1.93 -2.59 115.31 113.07 1j4e h LEU 198 Ca -0.15 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.85 1j4e h LEU 198 Cb 0.56 0.42 -0.14 0.00 -0.73 0.00 0.00 40.66 40.76 1j4e h LEU 198 CO 0.16 -0.70 -0.22 0.11 -0.62 0.00 0.00 178.44 177.17 1j4e h LYS 199 N -1.07 -0.03 -0.49 1.25 6.56 -1.95 0.78 116.57 121.61 1j4e h LYS 199 Ca -0.08 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.59 1j4e h LYS 199 Cb 0.90 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.50 1j4e h LYS 199 CO -0.00 -0.02 0.12 -0.09 -2.06 0.00 0.00 179.45 177.40 1j4e h ARG 200 N -0.03 0.26 -0.44 3.15 9.65 -1.90 0.77 114.38 125.84 1j4e h ARG 200 Ca 0.34 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.18 1j4e h ARG 200 Cb 0.56 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1j4e h ARG 200 CO -0.77 0.17 0.17 0.00 2.80 0.00 0.00 179.97 182.33 1j4e h GLN 202 N 0.57 0.23 0.25 0.00 4.15 -0.34 0.47 115.11 120.44 1j4e h GLN 202 Ca 0.15 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1j4e h GLN 202 Cb 0.21 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1j4e h GLN 202 CO -0.01 0.28 -0.12 -0.92 -1.93 0.00 0.00 178.83 176.13 1j4e h TYR 203 N 0.23 -0.31 -0.80 3.99 3.20 -0.29 -2.13 116.97 120.85 1j4e h TYR 203 Ca 0.05 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1j4e h TYR 203 Cb 0.21 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1j4e h TYR 203 CO 0.00 0.06 0.45 0.28 -1.64 0.00 0.00 178.16 177.31 1j4e h VAL 204 N -0.83 1.23 -0.98 1.81 2.07 -1.07 -1.91 116.25 116.57 1j4e h VAL 204 Ca -0.03 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1j4e h VAL 204 Cb 0.51 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1j4e h VAL 204 CO 0.06 0.25 0.63 0.74 0.02 0.00 0.00 177.57 179.27 1j4e h THR 205 N 1.10 1.26 -0.49 2.57 2.02 -0.95 0.32 112.91 118.74 1j4e h THR 205 Ca 0.28 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1j4e h THR 205 Cb 0.01 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.23 1j4e h THR 205 CO -0.05 0.26 0.10 -0.33 0.37 0.00 0.00 175.52 175.87 1j4e h GLU 206 N 1.34 0.80 -0.08 6.66 5.08 -0.88 0.08 114.58 127.58 1j4e h GLU 206 Ca 0.36 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1j4e h GLU 206 Cb -0.12 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1j4e h GLU 206 CO -0.07 0.79 0.02 0.87 -1.00 0.00 0.00 179.01 179.62 1j4e h LYS 207 N 0.68 0.14 0.09 2.33 1.79 -0.83 -1.40 116.57 119.37 1j4e h LYS 207 Ca 0.15 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1j4e h LYS 207 Cb 0.37 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1j4e h LYS 207 CO 0.01 0.34 -0.04 0.28 -1.08 0.00 0.00 179.45 178.95 1j4e h VAL 208 N -0.09 0.91 -0.56 0.50 2.07 -0.90 -1.30 116.25 116.88 1j4e h VAL 208 Ca 0.03 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1j4e h VAL 208 Cb 0.27 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1j4e h VAL 208 CO 0.00 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.90 1j4e h LEU 209 N -0.13 0.55 -0.44 2.57 4.07 -0.96 0.46 115.31 121.44 1j4e h LEU 209 Ca -0.01 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 1j4e h LEU 209 Cb 0.10 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1j4e h LEU 209 CO 0.02 0.38 -0.30 0.00 -1.08 0.00 0.00 178.44 177.46 1j4e h ALA 210 N 1.68 0.62 -0.06 1.53 0.00 -0.81 -2.49 119.26 119.72 1j4e h ALA 210 Ca 0.23 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1j4e h ALA 210 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1j4e h ALA 210 CO -0.06 0.67 -0.33 0.00 0.00 0.00 0.00 179.25 179.53 1j4e h ALA 211 N 0.82 1.34 0.59 0.00 0.00 -0.14 -2.73 119.26 119.14 1j4e h ALA 211 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1j4e h ALA 211 Cb 0.89 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1j4e h ALA 211 CO 0.08 0.47 -0.28 0.28 0.00 0.00 0.00 179.25 179.80 1j4e h VAL 212 N 0.10 0.29 0.00 0.00 2.07 -0.60 -2.78 116.25 115.33 1j4e h VAL 212 Ca 0.01 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1j4e h VAL 212 Cb 0.63 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1j4e h VAL 212 CO 0.05 0.04 -0.12 1.88 0.02 0.00 0.00 177.57 179.43 1j4e h TYR 213 N -1.03 0.00 -0.31 1.57 0.05 -1.45 0.44 116.97 116.24 1j4e h TYR 213 Ca -0.08 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.53 1j4e h TYR 213 Cb 0.66 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 1j4e h TYR 213 CO 0.00 0.12 -0.49 -0.22 -1.05 0.00 0.00 178.16 176.52 1j4e h LYS 214 N 0.00 0.87 0.13 4.88 1.63 -1.51 -1.82 116.57 120.76 1j4e h LYS 214 Ca -0.00 -0.52 -0.01 0.00 -0.85 0.00 0.00 60.65 59.28 1j4e h LYS 214 Cb 0.40 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1j4e h LYS 214 CO 0.02 1.16 -0.06 0.00 -3.45 0.00 0.00 179.45 177.11 1j4e h ALA 215 N 0.75 -0.18 -0.83 5.00 0.00 -0.93 0.21 119.26 123.28 1j4e h ALA 215 Ca 0.03 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.05 1j4e h ALA 215 Cb 1.09 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1j4e h ALA 215 CO 0.11 -0.52 0.57 -0.07 0.00 0.00 0.00 179.25 179.34 1j4e h LEU 216 N -0.34 0.19 -0.01 0.00 4.07 -0.89 -0.10 115.31 118.22 1j4e h LEU 216 Ca -0.02 0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1j4e h LEU 216 Cb 0.27 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1j4e h LEU 216 CO 0.03 0.08 -0.57 -1.28 -1.08 0.00 0.00 178.44 175.62 1j4e h SER 217 N 0.19 0.52 -0.30 -0.43 0.87 -0.58 -0.13 113.55 113.70 1j4e h SER 217 Ca 0.41 -0.75 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1j4e h SER 217 Cb 1.32 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1j4e h SER 217 CO -0.08 1.20 0.14 0.44 -0.53 0.00 0.00 176.83 178.00 1j4e h ASP 218 N -0.10 0.44 -0.28 6.23 3.32 0.74 -1.45 116.42 125.32 1j4e h ASP 218 Ca -0.07 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1j4e h ASP 218 Cb 1.28 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1j4e h ASP 218 CO 0.11 0.40 0.00 1.41 -1.72 0.00 0.00 179.24 179.44 1j4e n HIS 219 N -4.40 0.67 -2.82 4.55 8.25 -0.34 -4.92 115.22 116.21 1j4e n HIS 219 Ca 0.02 -0.26 -0.19 0.00 -0.26 0.00 0.00 57.72 57.03 1j4e n HIS 219 Cb 0.14 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1j4e n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1j4e n HIS 220 N 0.35 -1.59 -2.86 4.41 8.25 -0.55 -4.86 115.22 118.38 1j4e n HIS 220 Ca 0.11 0.25 -0.38 0.00 -0.26 0.00 0.00 57.72 57.44 1j4e n HIS 220 Cb 0.47 -3.42 -0.06 0.00 1.12 0.00 0.00 29.99 28.10 1j4e n HIS 220 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1j4e s ILE 221 N -2.90 4.25 -0.72 1.59 -5.25 -0.07 -4.87 121.20 113.22 1j4e s ILE 221 Ca 0.18 1.81 -0.27 0.00 -0.99 0.00 0.00 60.65 61.38 1j4e s ILE 221 Cb -0.09 -4.11 0.03 0.00 2.95 0.00 0.00 42.46 41.24 1j4e s ILE 221 CO 0.22 0.34 1.24 -0.47 -1.79 0.00 0.00 174.94 174.48 1j4e s TYR 222 N -1.37 2.34 0.33 1.37 5.04 -1.26 -4.79 117.35 119.00 1j4e s TYR 222 Ca 0.43 -0.09 0.04 0.00 -2.44 0.00 0.00 57.07 55.02 1j4e s TYR 222 Cb -0.22 -4.59 0.67 0.00 0.35 0.00 0.00 41.96 38.18 1j4e s TYR 222 CO 0.26 -2.01 1.90 -0.07 -1.34 0.00 0.00 175.55 174.30 1j4e h LEU 223 N 12.80 0.77 -2.48 6.97 4.07 -1.94 -1.61 115.31 133.90 1j4e h LEU 223 Ca -0.28 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 1j4e h LEU 223 Cb 1.05 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 1j4e h LEU 223 CO 1.27 0.46 -0.01 -0.33 -1.08 0.00 0.00 178.44 178.75 1j4e h GLU 224 N 0.86 0.00 -0.83 1.13 3.07 -1.92 -1.59 114.58 115.30 1j4e h GLU 224 Ca 0.40 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.75 1j4e h GLU 224 Cb 0.39 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.03 1j4e h GLU 224 CO -0.16 0.01 0.39 0.41 -1.40 0.00 0.00 179.01 178.25 1j4e n GLY 225 N -0.74 5.31 3.26 -3.84 0.00 -0.60 -4.33 105.19 104.23 1j4e n GLY 225 Ca -0.02 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1j4e n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j4e s THR 226 N -3.98 0.36 0.04 2.61 -4.23 -0.60 -3.90 115.64 105.94 1j4e s THR 226 Ca 0.56 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1j4e s THR 226 Cb 0.47 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1j4e s THR 226 CO 0.03 -0.10 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.22 1j4e s LEU 227 N -3.23 2.37 -0.14 4.79 1.02 -1.04 -3.68 118.68 118.78 1j4e s LEU 227 Ca 0.35 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.76 1j4e s LEU 227 Cb 0.07 0.10 0.02 0.00 0.02 0.00 0.00 46.19 46.39 1j4e s LEU 227 CO 0.11 -0.43 -0.18 -0.22 0.02 0.00 0.00 176.35 175.65 1j4e s LEU 228 N -2.24 1.91 -0.74 1.79 2.96 -0.68 -1.18 118.68 120.50 1j4e s LEU 228 Ca -0.03 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1j4e s LEU 228 Cb -0.01 -1.29 0.19 0.00 0.50 0.00 0.00 46.19 45.58 1j4e s LEU 228 CO -0.05 0.02 0.60 -0.75 -1.32 0.00 0.00 176.35 174.85 1j4e s LYS 229 N 1.06 2.95 0.50 1.98 2.20 0.79 -0.60 119.74 128.61 1j4e s LYS 229 Ca -0.03 -2.77 0.09 0.00 -0.36 0.00 0.00 55.97 52.90 1j4e s LYS 229 Cb -0.14 -3.90 0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1j4e s LYS 229 CO -0.05 -1.22 0.68 -1.25 -0.36 0.00 0.00 175.35 173.15 1j4e s PRO 230 N -0.46 2.57 0.34 4.03 0.04 -1.26 -3.61 135.00 136.65 1j4e s PRO 230 Ca 0.21 -1.44 -0.10 0.00 0.04 0.00 0.00 61.00 59.71 1j4e s PRO 230 Cb -0.15 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 1j4e s PRO 230 CO -0.07 -0.56 0.69 0.54 0.04 0.00 0.00 177.00 177.64 1j4e s ASN 231 N -4.50 6.56 0.65 6.66 4.22 -1.26 -1.95 114.94 125.32 1j4e s ASN 231 Ca 0.58 1.03 -0.11 0.00 -2.14 0.00 0.00 52.86 52.23 1j4e s ASN 231 Cb -0.08 -2.28 -0.02 0.00 1.28 0.00 0.00 41.25 40.15 1j4e s ASN 231 CO 0.36 -0.28 1.05 -0.04 -2.04 0.00 0.00 177.10 176.15 1j4e s MET 232 N -3.50 3.32 -0.37 3.55 -1.94 -1.26 -4.95 119.30 114.14 1j4e s MET 232 Ca 0.50 0.74 -0.24 0.00 -1.71 0.00 0.00 55.69 54.97 1j4e s MET 232 Cb -0.10 -2.05 0.01 0.00 2.01 0.00 0.00 34.83 34.70 1j4e s MET 232 CO 0.27 -0.77 0.82 0.08 -0.01 0.00 0.00 175.02 175.42 1j4e s VAL 233 N -3.18 4.68 0.08 -6.03 1.01 -1.26 -5.00 120.40 110.70 1j4e s VAL 233 Ca 0.56 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 1j4e s VAL 233 Cb -0.12 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1j4e s VAL 233 CO 0.54 -0.49 0.09 0.42 0.00 0.00 0.00 175.10 175.65 1j4e s THR 234 N 3.23 0.17 0.84 3.92 -4.23 -1.26 -4.58 115.64 113.72 1j4e s THR 234 Ca 0.33 -1.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 1j4e s THR 234 Cb -0.13 -1.53 0.09 0.00 1.34 0.00 0.00 72.50 72.28 1j4e s THR 234 CO 0.18 -0.75 1.09 -2.16 -0.54 0.00 0.00 174.62 172.44 1j4e s PRO 235 N -3.91 1.75 0.63 3.99 0.04 -1.26 -4.69 135.00 131.54 1j4e s PRO 235 Ca 0.09 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1j4e s PRO 235 Cb 0.06 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1j4e s PRO 235 CO -0.08 -1.95 1.21 0.20 0.04 0.00 0.00 177.00 176.41 1j4e s GLY 236 N -3.40 2.63 0.46 0.56 0.00 0.72 -4.88 107.32 103.42 1j4e s GLY 236 Ca 0.62 0.97 0.24 0.00 0.00 0.00 0.00 44.72 46.56 1j4e s GLY 236 CO 0.56 1.37 1.84 0.45 0.00 0.00 0.00 173.10 177.32 1j4e h HIS 237 N 0.55 0.35 -0.54 1.90 3.86 -1.27 0.19 115.15 120.19 1j4e h HIS 237 Ca -0.50 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1j4e h HIS 237 Cb 1.30 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1j4e h HIS 237 CO 0.47 0.06 0.00 0.00 0.86 0.00 0.00 177.93 179.32 1j4e n ALA 238 N -2.59 3.32 -1.80 2.45 0.00 -0.82 -4.99 120.51 116.08 1j4e n ALA 238 Ca 0.21 -1.82 -0.41 0.00 0.00 0.00 0.00 53.44 51.42 1j4e n ALA 238 Cb 0.89 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 1j4e n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j4e s ALA 239 N -2.32 3.50 -0.04 0.00 0.00 0.66 -4.62 121.76 118.95 1j4e s ALA 239 Ca 0.49 1.23 -0.24 0.00 0.00 0.00 0.00 51.96 53.45 1j4e s ALA 239 Cb 0.35 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.82 1j4e s ALA 239 CO 0.18 -0.61 1.02 1.15 0.00 0.00 0.00 175.76 177.51 1j4e h THR 240 N 3.13 1.07 -3.81 0.00 2.02 -1.89 -3.46 112.91 109.97 1j4e h THR 240 Ca -0.48 -1.17 -0.53 0.00 0.77 0.00 0.00 66.41 65.00 1j4e h THR 240 Cb 1.22 1.75 0.20 0.00 -1.74 0.00 0.00 68.15 69.59 1j4e h THR 240 CO 0.67 0.26 -0.14 1.67 0.37 0.00 0.00 175.52 178.35 1j4e n GLN 241 N -4.90 -0.21 -4.72 6.66 7.27 -1.26 -5.03 117.38 115.19 1j4e n GLN 241 Ca -0.08 -0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.70 1j4e n GLN 241 Cb 0.28 -2.12 -0.14 0.00 2.41 0.00 0.00 30.24 30.66 1j4e n GLN 241 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1j4e s LYS 242 N -3.97 1.59 0.06 3.69 3.01 -1.26 -5.06 119.74 117.80 1j4e s LYS 242 Ca 0.64 -1.11 0.03 0.00 -1.01 0.00 0.00 55.97 54.52 1j4e s LYS 242 Cb -0.24 -1.81 -0.03 0.00 -1.01 0.00 0.00 37.83 34.74 1j4e s LYS 242 CO 0.61 0.46 -0.09 0.71 0.51 0.00 0.00 175.35 177.54 1j4e s TYR 243 N -0.87 0.84 0.62 3.18 1.51 -1.26 -5.14 117.35 116.24 1j4e s TYR 243 Ca 0.11 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1j4e s TYR 243 Cb -0.10 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.27 1j4e s TYR 243 CO 0.03 -0.06 0.96 -1.54 -1.11 0.00 0.00 175.55 173.83 1j4e s SER 244 N -1.91 5.59 0.28 2.29 1.04 -1.26 -4.93 113.70 114.79 1j4e s SER 244 Ca -0.04 0.88 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 1j4e s SER 244 Cb -0.07 -1.82 0.38 0.00 0.10 0.00 0.00 66.02 64.61 1j4e s SER 244 CO 0.00 -1.13 1.87 0.45 0.98 0.00 0.00 173.24 175.41 1j4e h HIS 245 N -0.32 0.97 -0.82 5.02 3.86 -1.99 -2.07 115.15 119.80 1j4e h HIS 245 Ca -0.45 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 58.73 1j4e h HIS 245 Cb 1.25 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.37 1j4e h HIS 245 CO 0.49 0.73 0.53 0.93 0.86 0.00 0.00 177.93 181.47 1j4e h GLU 246 N 0.96 1.03 -0.28 2.45 3.07 -1.94 0.53 114.58 120.40 1j4e h GLU 246 Ca 0.23 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.00 1j4e h GLU 246 Cb 0.14 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1j4e h GLU 246 CO -0.03 0.68 0.06 0.93 -1.40 0.00 0.00 179.01 179.25 1j4e h GLU 247 N 1.06 0.46 0.00 2.33 5.08 -1.77 0.86 114.58 122.59 1j4e h GLU 247 Ca 0.32 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1j4e h GLU 247 Cb -0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1j4e h GLU 247 CO -0.09 0.56 -0.30 -0.84 -1.00 0.00 0.00 179.01 177.33 1j4e h ILE 248 N 0.28 0.70 -0.19 3.13 -0.00 -1.19 0.03 117.51 120.27 1j4e h ILE 248 Ca 0.09 -1.38 -0.19 0.00 -0.00 0.00 0.00 64.86 63.38 1j4e h ILE 248 Cb 0.31 1.89 0.00 0.00 -0.00 0.00 0.00 36.82 39.03 1j4e h ILE 248 CO 0.00 0.30 -0.65 0.00 -0.00 0.00 0.00 178.15 177.80 1j4e h ALA 249 N 1.70 0.50 -0.19 0.16 0.00 -0.58 -1.09 119.26 119.76 1j4e h ALA 249 Ca -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1j4e h ALA 249 Cb 0.87 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1j4e h ALA 249 CO 0.04 0.70 -0.24 1.98 0.00 0.00 0.00 179.25 181.73 1j4e h MET 250 N 0.51 0.49 -0.40 0.00 1.85 -0.44 -1.35 114.93 115.59 1j4e h MET 250 Ca -0.01 -0.28 -0.05 0.00 -0.61 0.00 0.00 59.70 58.74 1j4e h MET 250 Cb 1.24 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.27 1j4e h MET 250 CO 0.13 0.87 0.02 0.00 -0.40 0.00 0.00 176.91 177.52 1j4e h ALA 251 N 0.62 1.29 0.13 0.39 0.00 -0.99 -0.78 119.26 119.92 1j4e h ALA 251 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1j4e h ALA 251 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1j4e h ALA 251 CO 0.06 0.48 -0.06 1.15 0.00 0.00 0.00 179.25 180.88 1j4e h THR 252 N 0.60 1.04 -0.24 0.00 2.02 -1.11 -1.78 112.91 113.43 1j4e h THR 252 Ca 0.13 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 1j4e h THR 252 Cb 0.35 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1j4e h THR 252 CO 0.01 0.24 -0.09 0.58 0.37 0.00 0.00 175.52 176.63 1j4e h VAL 253 N -0.72 1.20 0.11 3.16 2.07 -1.19 -2.24 116.25 118.64 1j4e h VAL 253 Ca -0.02 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1j4e h VAL 253 Cb 0.53 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1j4e h VAL 253 CO 0.03 0.27 -0.06 0.74 0.02 0.00 0.00 177.57 178.58 1j4e h THR 254 N 0.36 1.03 -0.94 2.57 2.02 -1.17 0.43 112.91 117.22 1j4e h THR 254 Ca 0.07 -0.60 0.14 0.00 0.77 0.00 0.00 66.41 66.79 1j4e h THR 254 Cb 0.39 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 1j4e h THR 254 CO 0.02 0.14 0.60 0.00 0.37 0.00 0.00 175.52 176.65 1j4e h ALA 255 N 0.41 1.71 -0.08 6.16 0.00 -1.14 -1.64 119.26 124.69 1j4e h ALA 255 Ca -0.02 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1j4e h ALA 255 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1j4e h ALA 255 CO 0.03 0.04 -0.80 -0.07 0.00 0.00 0.00 179.25 178.44 1j4e h LEU 256 N 0.81 0.62 -2.04 0.00 3.38 -1.20 -3.19 115.31 113.69 1j4e h LEU 256 Ca 0.47 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j4e h LEU 256 Cb 0.64 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1j4e h LEU 256 CO -0.24 1.20 0.00 0.03 0.09 0.00 0.00 178.44 179.53 1j4e h ARG 257 N 0.34 0.00 -0.30 1.13 3.08 0.08 -1.84 114.38 116.86 1j4e h ARG 257 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1j4e h ARG 257 Cb 1.41 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.41 1j4e h ARG 257 CO 0.15 0.00 -0.01 2.89 -1.07 0.00 0.00 179.97 181.92 1j4e n ARG 258 N -2.94 2.39 0.00 0.04 1.85 -1.09 -4.69 116.66 112.22 1j4e n ARG 258 Ca -0.01 -2.97 0.00 0.00 -1.00 0.00 0.00 57.85 53.87 1j4e n ARG 258 Cb 0.18 -1.83 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 1j4e n ARG 258 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1j4e n THR 259 N -0.82 0.00 -3.06 8.89 -2.24 -1.10 -4.97 114.28 110.99 1j4e n THR 259 Ca 0.27 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.62 1j4e n THR 259 Cb 0.96 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 1j4e n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1j4e s VAL 260 N -1.00 4.73 0.33 2.28 1.01 -0.71 -4.76 120.40 122.27 1j4e s VAL 260 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1j4e s VAL 260 Cb 0.00 -4.36 -0.13 0.00 0.00 0.00 0.00 36.38 31.90 1j4e s VAL 260 CO 0.00 -0.87 1.23 -2.65 0.00 0.00 0.00 175.10 172.82 1j4e n PRO 261 N 6.56 1.96 0.20 2.72 -0.02 -1.26 -4.83 135.00 140.33 1j4e n PRO 261 Ca -0.03 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1j4e n PRO 261 Cb 0.46 -2.23 0.63 0.00 -0.02 0.00 0.00 33.50 32.34 1j4e n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1j4e h PRO 262 N 2.47 0.00 0.00 0.52 0.13 -1.96 -1.80 132.00 131.35 1j4e h PRO 262 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1j4e h PRO 262 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1j4e h PRO 262 CO 0.62 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.24 1j4e h ALA 263 N 1.75 1.07 -2.24 -0.56 0.00 -1.92 -3.43 119.26 113.93 1j4e h ALA 263 Ca 0.00 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 1j4e h ALA 263 Cb 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1j4e h ALA 263 CO 0.00 0.19 1.24 0.08 0.00 0.00 0.00 179.25 180.76 1j4e s VAL 264 N -3.77 3.20 0.43 0.00 1.01 -0.68 -3.52 120.40 117.07 1j4e s VAL 264 Ca -0.00 0.24 0.16 0.00 0.00 0.00 0.00 61.98 62.37 1j4e s VAL 264 Cb 0.11 -3.18 0.35 0.00 0.00 0.00 0.00 36.38 33.66 1j4e s VAL 264 CO 0.60 -0.05 1.92 0.74 0.00 0.00 0.00 175.10 178.32 1j4e h THR 265 N 5.93 0.80 -1.43 3.92 2.02 -1.68 -3.44 112.91 119.03 1j4e h THR 265 Ca -0.44 -0.14 0.26 0.00 0.77 0.00 0.00 66.41 66.86 1j4e h THR 265 Cb 1.22 0.35 -0.19 0.00 -1.74 0.00 0.00 68.15 67.78 1j4e h THR 265 CO 0.95 0.08 0.83 -0.83 0.37 0.00 0.00 175.52 176.92 1j4e s GLY 266 N -3.80 -0.28 -0.19 2.16 0.00 -1.26 -3.50 107.32 100.45 1j4e s GLY 266 Ca -0.08 1.63 -0.01 0.00 0.00 0.00 0.00 44.72 46.25 1j4e s GLY 266 CO 0.77 0.54 -0.12 0.14 0.00 0.00 0.00 173.10 174.43 1j4e s VAL 267 N -2.38 2.78 -0.52 1.40 1.01 0.35 -1.68 120.40 121.36 1j4e s VAL 267 Ca 0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1j4e s VAL 267 Cb -0.01 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.29 1j4e s VAL 267 CO -0.04 0.48 0.35 0.42 0.00 0.00 0.00 175.10 176.30 1j4e s THR 268 N 1.27 3.70 0.29 3.92 -4.23 0.23 -1.32 115.64 119.50 1j4e s THR 268 Ca 0.03 -2.41 -0.30 0.00 -1.18 0.00 0.00 61.69 57.84 1j4e s THR 268 Cb -0.14 -3.45 -0.11 0.00 1.34 0.00 0.00 72.50 70.13 1j4e s THR 268 CO -0.06 -0.80 1.59 -0.36 -0.54 0.00 0.00 174.62 174.45 1j4e s PHE 269 N 0.64 2.75 0.06 3.99 0.08 -0.54 -4.10 117.98 120.86 1j4e s PHE 269 Ca 0.12 0.79 -0.17 0.00 0.12 0.00 0.00 56.93 57.79 1j4e s PHE 269 Cb -0.22 -4.06 -0.06 0.00 -0.57 0.00 0.00 43.02 38.11 1j4e s PHE 269 CO -0.04 -3.56 0.51 -0.48 -0.10 0.00 0.00 175.22 171.55 1j4e s LEU 270 N -0.53 4.48 0.18 -0.37 0.05 -0.82 -1.75 118.68 119.92 1j4e s LEU 270 Ca 0.63 1.12 0.25 0.00 0.05 0.00 0.00 54.13 56.18 1j4e s LEU 270 Cb -0.48 -2.85 0.65 0.00 -2.05 0.00 0.00 46.19 41.47 1j4e s LEU 270 CO 0.48 0.26 1.63 -1.54 -0.55 0.00 0.00 176.35 176.63 1j4e n SER 271 N 1.58 0.79 -2.12 1.48 3.41 -1.26 -4.34 113.62 113.16 1j4e n SER 271 Ca -0.11 0.43 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1j4e n SER 271 Cb 0.51 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1j4e n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j4e n GLY 272 N 1.32 -0.01 0.92 5.00 0.00 -1.26 -0.79 105.19 110.37 1j4e n GLY 272 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1j4e n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4e n GLY 273 N -0.38 3.22 3.72 -0.02 0.00 -1.26 -4.81 105.19 105.66 1j4e n GLY 273 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1j4e n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4e s GLN 274 N -0.51 1.79 0.71 1.61 -0.21 0.03 -5.00 119.66 118.08 1j4e s GLN 274 Ca 0.00 1.47 -0.11 0.00 0.02 0.00 0.00 55.36 56.74 1j4e s GLN 274 Cb 0.00 -1.82 0.02 0.00 1.00 0.00 0.00 33.01 32.21 1j4e s GLN 274 CO 0.00 -2.04 1.10 -1.54 -2.12 0.00 0.00 175.29 170.69 1j4e s SER 275 N -2.73 5.38 0.18 5.90 1.04 -1.26 -4.71 113.70 117.49 1j4e s SER 275 Ca 0.67 1.09 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1j4e s SER 275 Cb -0.22 -1.87 0.17 0.00 0.10 0.00 0.00 66.02 64.20 1j4e s SER 275 CO 0.53 -1.38 1.74 -0.33 0.98 0.00 0.00 173.24 174.78 1j4e h GLU 276 N -0.67 0.30 -0.40 4.02 5.08 -1.88 -0.26 114.58 120.77 1j4e h GLU 276 Ca -0.45 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1j4e h GLU 276 Cb 1.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1j4e h GLU 276 CO 0.64 0.20 0.02 1.49 -1.00 0.00 0.00 179.01 180.36 1j4e h GLU 277 N 0.31 0.70 0.27 2.33 4.57 -1.93 -2.75 114.58 118.07 1j4e h GLU 277 Ca 0.23 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1j4e h GLU 277 Cb 0.27 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1j4e h GLU 277 CO -0.26 0.77 -0.20 1.49 -1.18 0.00 0.00 179.01 179.63 1j4e h GLU 278 N 0.53 -0.45 -0.76 1.92 4.81 -1.80 -0.38 114.58 118.46 1j4e h GLU 278 Ca 0.12 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1j4e h GLU 278 Cb 0.44 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1j4e h GLU 278 CO 0.02 -0.30 0.50 0.00 -0.73 0.00 0.00 179.01 178.49 1j4e h ALA 279 N 0.23 1.94 -0.12 2.92 0.00 -1.07 -0.45 119.26 122.71 1j4e h ALA 279 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1j4e h ALA 279 Cb 0.41 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j4e h ALA 279 CO -0.00 -0.13 -0.47 0.77 0.00 0.00 0.00 179.25 179.42 1j4e h SER 280 N 0.55 0.62 -0.55 0.00 0.02 -1.13 -1.99 113.55 111.08 1j4e h SER 280 Ca 0.36 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 1j4e h SER 280 Cb 0.64 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1j4e h SER 280 CO -0.13 1.14 0.21 0.40 -1.14 0.00 0.00 176.83 177.31 1j4e h ILE 281 N 0.14 1.22 -0.21 3.27 2.04 -0.13 -1.51 117.51 122.33 1j4e h ILE 281 Ca -0.02 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1j4e h ILE 281 Cb 1.11 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1j4e h ILE 281 CO 0.10 0.27 -0.00 0.78 0.00 0.00 0.00 178.15 179.30 1j4e h ASN 282 N 0.75 0.37 -0.82 1.72 2.35 -1.17 0.04 115.58 118.82 1j4e h ASN 282 Ca 0.18 -0.31 0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1j4e h ASN 282 Cb 0.22 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 1j4e h ASN 282 CO -0.01 0.59 0.54 0.25 -1.65 0.00 0.00 177.43 177.15 1j4e h LEU 283 N 0.14 0.76 -0.36 1.61 6.46 -1.26 0.20 115.31 122.87 1j4e h LEU 283 Ca 0.06 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.74 1j4e h LEU 283 Cb 0.40 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1j4e h LEU 283 CO 0.01 0.48 -0.11 -1.13 -0.62 0.00 0.00 178.44 177.06 1j4e h ASN 284 N 0.86 0.72 -0.73 1.25 -1.24 -0.93 -2.68 115.58 112.82 1j4e h ASN 284 Ca 0.36 -0.38 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1j4e h ASN 284 Cb 0.30 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1j4e h ASN 284 CO -0.14 0.93 0.28 0.00 -1.29 0.00 0.00 177.43 177.22 1j4e h ALA 285 N 0.81 1.09 -0.75 1.57 0.00 0.61 -2.56 119.26 120.03 1j4e h ALA 285 Ca 0.09 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1j4e h ALA 285 Cb 0.63 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1j4e h ALA 285 CO 0.04 0.64 0.49 0.82 0.00 0.00 0.00 179.25 181.24 1j4e h ILE 286 N 1.09 1.17 0.00 0.00 2.04 -0.56 -0.71 117.51 120.53 1j4e h ILE 286 Ca 0.25 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1j4e h ILE 286 Cb 0.23 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1j4e h ILE 286 CO -0.02 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.90 1j4e n ASN 287 N -4.58 0.00 -0.59 1.72 3.02 -1.02 -2.48 115.26 111.33 1j4e n ASN 287 Ca 0.08 -0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 1j4e n ASN 287 Cb 0.04 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 38.96 1j4e n ASN 287 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j4e n LYS 288 N -1.31 1.08 -1.78 3.52 4.76 -0.39 -4.74 118.16 119.30 1j4e n LYS 288 Ca 0.11 -1.38 -0.42 0.00 -2.87 0.00 0.00 58.31 53.75 1j4e n LYS 288 Cb 0.20 -1.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 1j4e n LYS 288 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j4e s ALA 289 N -1.25 3.81 -0.07 7.82 0.00 -0.50 -4.85 121.76 126.73 1j4e s ALA 289 Ca 0.17 1.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.56 1j4e s ALA 289 Cb 0.12 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1j4e s ALA 289 CO 0.19 -1.05 1.56 -0.35 0.00 0.00 0.00 175.76 176.11 1j4e n PRO 290 N 4.87 0.74 -3.87 0.00 -0.04 -1.26 -4.72 135.00 130.72 1j4e n PRO 290 Ca 0.16 -0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.10 1j4e n PRO 290 Cb 0.38 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 1j4e n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j4e s LEU 291 N 0.01 1.50 -0.08 1.53 1.43 -1.26 -5.12 118.68 116.69 1j4e s LEU 291 Ca 0.23 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 1j4e s LEU 291 Cb 0.10 0.85 -0.03 0.00 0.03 0.00 0.00 46.19 47.14 1j4e s LEU 291 CO -0.00 -0.55 1.31 -0.22 0.23 0.00 0.00 176.35 177.13 1j4e s LEU 292 N -2.12 4.26 -0.36 1.79 0.20 -1.26 -4.99 118.68 116.20 1j4e s LEU 292 Ca -0.05 1.88 -0.08 0.00 0.69 0.00 0.00 54.13 56.57 1j4e s LEU 292 Cb -0.01 -3.55 0.04 0.00 -0.43 0.00 0.00 46.19 42.24 1j4e s LEU 292 CO -0.04 -0.71 0.15 -0.54 -0.29 0.00 0.00 176.35 174.91 1j4e s LYS 293 N 2.92 2.66 0.00 1.98 3.01 -1.26 -4.97 119.74 124.07 1j4e s LYS 293 Ca 0.59 -1.20 0.30 0.00 -1.01 0.00 0.00 55.97 54.66 1j4e s LYS 293 Cb -0.26 -3.56 1.56 0.00 -1.01 0.00 0.00 37.83 34.55 1j4e s LYS 293 CO 0.21 -0.71 2.04 -0.35 0.51 0.00 0.00 175.35 177.05 1j4e n PRO 294 N 4.86 0.84 -4.25 -1.68 -0.04 -1.26 -4.88 135.00 128.60 1j4e n PRO 294 Ca -0.12 -0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.05 1j4e n PRO 294 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1j4e n PRO 294 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1j4e s TRP 295 N -2.26 1.26 0.34 0.54 1.48 -1.26 -4.93 118.94 114.10 1j4e s TRP 295 Ca 0.37 -0.78 -0.29 0.00 -1.06 0.00 0.00 56.10 54.35 1j4e s TRP 295 Cb 0.21 -0.65 -0.11 0.00 -1.16 0.00 0.00 33.47 31.76 1j4e s TRP 295 CO 0.42 0.06 1.46 0.00 -4.06 0.00 0.00 176.95 174.83 1j4e s ALA 296 N -3.35 3.59 -0.36 2.67 0.00 -1.23 -4.84 121.76 118.25 1j4e s ALA 296 Ca 0.17 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1j4e s ALA 296 Cb 0.03 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.67 1j4e s ALA 296 CO 0.01 -0.91 0.08 -0.51 0.00 0.00 0.00 175.76 174.43 1j4e s LEU 297 N -1.57 4.43 0.00 0.00 1.02 -1.26 -0.50 118.68 120.80 1j4e s LEU 297 Ca 0.54 -2.20 0.00 0.00 0.02 0.00 0.00 54.13 52.49 1j4e s LEU 297 Cb -0.45 -1.54 0.00 0.00 0.02 0.00 0.00 46.19 44.22 1j4e s LEU 297 CO 0.56 -0.37 0.00 1.07 0.02 0.00 0.00 176.35 177.63 1j4e n THR 298 N 4.18 0.00 -4.42 5.49 5.66 -0.44 -4.63 114.28 120.12 1j4e n THR 298 Ca 0.04 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.77 1j4e n THR 298 Cb 0.41 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.07 1j4e n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1j4e s PHE 299 N 0.26 2.29 -0.41 1.09 -0.71 -1.26 -1.47 117.98 117.78 1j4e s PHE 299 Ca 0.00 -0.36 0.07 0.00 -1.04 0.00 0.00 56.93 55.60 1j4e s PHE 299 Cb 0.00 -1.13 0.24 0.00 -1.21 0.00 0.00 43.02 40.92 1j4e s PHE 299 CO 0.00 0.50 0.56 0.45 -1.34 0.00 0.00 175.22 175.39 1j4e n SER 300 N 0.24 -0.35 -4.86 1.98 2.88 -0.72 0.71 113.62 113.51 1j4e n SER 300 Ca -0.12 -2.75 -0.35 0.00 -1.33 0.00 0.00 58.87 54.31 1j4e n SER 300 Cb 0.56 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 1j4e n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1j4e s TYR 301 N -0.80 3.61 0.00 0.66 2.02 -0.90 -4.43 117.35 117.51 1j4e s TYR 301 Ca 0.34 0.89 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 1j4e s TYR 301 Cb 0.17 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1j4e s TYR 301 CO -0.14 0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.77 1j4e n GLY 302 N 1.03 -0.04 0.33 0.71 0.00 -1.26 -0.38 105.19 105.58 1j4e n GLY 302 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1j4e n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1j4e h ARG 303 N 0.00 1.00 0.00 1.61 -0.00 -1.96 -1.83 114.38 113.20 1j4e h ARG 303 Ca 0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.98 59.36 1j4e h ARG 303 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 29.78 1j4e h ARG 303 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 179.97 180.73 1j4e n ALA 304 N -2.43 1.30 -0.00 0.04 0.00 -1.26 -0.26 120.51 117.90 1j4e n ALA 304 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1j4e n ALA 304 Cb 0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1j4e n ALA 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1j4e n LEU 305 N -1.33 0.00 -0.00 0.00 7.94 -0.78 -4.59 117.00 118.24 1j4e n LEU 305 Ca 0.01 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.98 1j4e n LEU 305 Cb 0.03 0.01 -0.08 0.00 0.53 0.00 0.00 43.42 43.91 1j4e n LEU 305 CO 0.03 0.01 -0.10 0.00 -1.11 0.00 0.00 177.39 176.22 1j4e n GLN 306 N -1.71 2.18 -0.01 1.96 6.02 -0.67 -4.56 117.38 120.57 1j4e n GLN 306 Ca -0.01 -0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.94 1j4e n GLN 306 Cb 0.20 -1.18 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 1j4e n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j4e h ALA 307 N 1.90 -0.43 -0.79 -1.58 0.00 -0.88 0.75 119.26 118.24 1j4e h ALA 307 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j4e h ALA 307 Cb 0.37 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1j4e h ALA 307 CO 0.00 -0.46 0.45 0.77 0.00 0.00 0.00 179.25 180.00 1j4e h SER 308 N -0.07 0.97 0.06 0.00 0.02 -1.87 -2.40 113.55 110.25 1j4e h SER 308 Ca 0.01 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1j4e h SER 308 Cb 0.10 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1j4e h SER 308 CO -0.08 0.77 -0.15 0.00 -1.14 0.00 0.00 176.83 176.23 1j4e h ALA 309 N 1.24 -0.23 -0.62 3.77 0.00 -1.73 0.66 119.26 122.35 1j4e h ALA 309 Ca 0.28 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1j4e h ALA 309 Cb 0.01 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1j4e h ALA 309 CO -0.05 -0.66 0.33 1.25 0.00 0.00 0.00 179.25 180.12 1j4e h LEU 310 N -0.28 0.48 -0.63 0.00 5.85 -0.73 0.03 115.31 120.02 1j4e h LEU 310 Ca 0.03 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1j4e h LEU 310 Cb 0.32 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1j4e h LEU 310 CO -0.11 0.31 0.06 0.50 -0.34 0.00 0.00 178.44 178.87 1j4e h LYS 311 N 0.61 1.07 0.00 1.25 3.64 -0.90 -2.13 116.57 120.11 1j4e h LYS 311 Ca 0.28 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j4e h LYS 311 Cb 0.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1j4e h LYS 311 CO -0.19 1.01 0.00 0.00 -2.27 0.00 0.00 179.45 178.00 1j4e n ALA 312 N -2.47 1.91 -0.02 5.00 0.00 0.23 -3.30 120.51 121.87 1j4e n ALA 312 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1j4e n ALA 312 Cb 0.31 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.24 1j4e n ALA 312 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1j4e h TRP 313 N 0.00 0.35 0.00 0.00 7.01 -0.48 -3.39 115.95 119.44 1j4e h TRP 313 Ca 0.00 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.75 1j4e h TRP 313 Cb 0.45 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1j4e h TRP 313 CO 0.00 1.58 0.00 0.41 -2.79 0.00 0.00 178.44 177.64 1j4e n GLY 314 N 1.72 0.00 0.48 2.65 0.00 -0.85 -1.14 105.19 108.05 1j4e n GLY 314 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1j4e n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4e n GLY 315 N -0.08 0.49 3.65 -0.02 0.00 -1.26 -4.81 105.19 103.16 1j4e n GLY 315 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1j4e n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4e s LYS 316 N -0.84 4.21 0.52 1.61 -0.14 -0.29 -4.94 119.74 119.88 1j4e s LYS 316 Ca 0.00 0.90 0.26 0.00 -1.36 0.00 0.00 55.97 55.77 1j4e s LYS 316 Cb 0.00 -3.62 1.39 0.00 -1.68 0.00 0.00 37.83 33.92 1j4e s LYS 316 CO 0.00 -0.42 1.98 0.87 -0.76 0.00 0.00 175.35 177.01 1j4e h LYS 317 N 7.57 0.03 0.00 1.68 1.57 -1.97 0.12 116.57 125.56 1j4e h LYS 317 Ca -0.26 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1j4e h LYS 317 Cb 1.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1j4e h LYS 317 CO 0.84 0.02 0.00 -0.85 -0.57 0.00 0.00 179.45 178.89 1j4e n GLU 318 N -4.37 0.34 -0.06 3.15 0.00 -1.26 -2.41 120.64 116.03 1j4e n GLU 318 Ca 0.11 0.08 0.09 0.00 0.00 0.00 0.00 57.16 57.45 1j4e n GLU 318 Cb 0.65 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.70 1j4e n GLU 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1j4e n ASN 319 N -1.19 2.76 -0.37 -1.84 3.02 0.40 -4.68 115.26 113.36 1j4e n ASN 319 Ca 0.10 -1.82 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 1j4e n ASN 319 Cb 0.11 -0.08 -0.09 0.00 -0.61 0.00 0.00 39.78 39.11 1j4e n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1j4e h LEU 320 N 3.62 -2.03 0.06 3.41 5.85 -1.59 0.10 115.31 124.73 1j4e h LEU 320 Ca 0.00 0.30 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1j4e h LEU 320 Cb 0.80 0.89 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 1j4e h LEU 320 CO 0.00 -0.24 -0.31 0.11 -0.34 0.00 0.00 178.44 177.66 1j4e h LYS 321 N -0.04 -0.48 -0.93 1.25 6.56 -1.86 0.13 116.57 121.20 1j4e h LYS 321 Ca 0.14 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.85 1j4e h LYS 321 Cb 0.41 0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 32.11 1j4e h LYS 321 CO -0.86 -0.32 0.58 0.00 -2.06 0.00 0.00 179.45 176.79 1j4e h ALA 322 N 0.20 1.32 -0.30 3.86 0.00 -1.72 -0.89 119.26 121.73 1j4e h ALA 322 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1j4e h ALA 322 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j4e h ALA 322 CO -0.22 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 1j4e h ALA 323 N 1.46 0.40 -0.29 0.00 0.00 -0.28 -2.95 119.26 117.61 1j4e h ALA 323 Ca 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1j4e h ALA 323 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j4e h ALA 323 CO -0.21 0.17 0.04 1.96 0.00 0.00 0.00 179.25 181.22 1j4e h GLN 324 N 0.32 0.42 -0.53 0.00 4.20 -0.16 -2.40 115.11 116.97 1j4e h GLN 324 Ca 0.08 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1j4e h GLN 324 Cb 0.46 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1j4e h GLN 324 CO 0.02 0.41 0.13 1.49 -0.67 0.00 0.00 178.83 180.21 1j4e h GLU 325 N 0.41 0.81 -0.22 1.46 4.57 -1.02 -0.63 114.58 119.96 1j4e h GLU 325 Ca 0.10 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1j4e h GLU 325 Cb 0.21 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1j4e h GLU 325 CO 0.00 0.73 0.09 0.93 -1.18 0.00 0.00 179.01 179.58 1j4e h GLU 326 N 0.78 0.34 0.02 1.92 4.39 -1.29 -0.50 114.58 120.24 1j4e h GLU 326 Ca 0.17 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1j4e h GLU 326 Cb 0.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1j4e h GLU 326 CO -0.00 0.39 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.31 1j4e h TYR 327 N 0.21 -0.03 -0.12 4.33 3.20 -1.36 -1.57 116.97 121.63 1j4e h TYR 327 Ca 0.07 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1j4e h TYR 327 Cb 0.18 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1j4e h TYR 327 CO -0.01 0.02 0.09 0.28 -1.64 0.00 0.00 178.16 176.91 1j4e h VAL 328 N -0.08 0.83 -0.05 1.81 2.07 -1.02 0.15 116.25 119.96 1j4e h VAL 328 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1j4e h VAL 328 Cb 0.07 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1j4e h VAL 328 CO 0.01 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.06 1j4e h LYS 329 N 0.00 0.11 -0.38 1.57 1.63 -0.26 -2.23 116.57 117.01 1j4e h LYS 329 Ca 0.06 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1j4e h LYS 329 Cb 0.24 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1j4e h LYS 329 CO -0.00 0.53 -0.32 0.00 -3.45 0.00 0.00 179.45 176.21 1j4e h ARG 330 N -0.31 0.90 -0.82 1.90 2.47 -0.50 -1.92 114.38 116.10 1j4e h ARG 330 Ca 0.01 -0.45 -0.02 0.00 -1.26 0.00 0.00 59.98 58.26 1j4e h ARG 330 Cb 0.51 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 1j4e h ARG 330 CO 0.01 1.10 0.44 0.00 0.56 0.00 0.00 179.97 182.09 1j4e h ALA 331 N 0.78 1.05 -0.46 0.04 0.00 -0.79 0.81 119.26 120.69 1j4e h ALA 331 Ca 0.07 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1j4e h ALA 331 Cb 0.91 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1j4e h ALA 331 CO 0.08 0.56 -0.26 -0.07 0.00 0.00 0.00 179.25 179.57 1j4e h LEU 332 N 1.14 1.03 -0.07 0.00 3.38 -1.35 -0.77 115.31 118.67 1j4e h LEU 332 Ca 0.29 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1j4e h LEU 332 Cb 0.04 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1j4e h LEU 332 CO -0.05 1.22 0.05 0.00 0.09 0.00 0.00 178.44 179.75 1j4e h ALA 333 N 0.84 0.09 -0.03 1.53 0.00 -0.87 -2.26 119.26 118.57 1j4e h ALA 333 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1j4e h ALA 333 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1j4e h ALA 333 CO 0.08 -0.41 -0.37 -0.91 0.00 0.00 0.00 179.25 177.64 1j4e h ASN 334 N 0.09 0.07 -0.60 0.00 2.35 -0.78 -1.05 115.58 115.65 1j4e h ASN 334 Ca 0.03 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1j4e h ASN 334 Cb 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1j4e h ASN 334 CO -0.01 0.44 0.29 -1.28 -1.65 0.00 0.00 177.43 175.22 1j4e h SER 335 N 0.06 0.81 0.12 5.81 0.87 -0.81 -0.80 113.55 119.61 1j4e h SER 335 Ca 0.00 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.29 1j4e h SER 335 Cb 0.69 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1j4e h SER 335 CO 0.05 0.70 -0.71 -0.07 -0.53 0.00 0.00 176.83 176.28 1j4e h LEU 336 N 0.90 0.62 -1.28 2.23 3.38 -0.77 -3.08 115.31 117.29 1j4e h LEU 336 Ca 0.22 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1j4e h LEU 336 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1j4e h LEU 336 CO -0.03 1.14 -0.10 0.00 0.09 0.00 0.00 178.44 179.55 1j4e h ALA 337 N 0.85 1.41 0.00 1.53 0.00 -0.45 -0.48 119.26 122.13 1j4e h ALA 337 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1j4e h ALA 337 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1j4e h ALA 337 CO 0.13 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1j4e n ALA 338 N -2.48 1.50 0.01 0.00 0.00 -0.38 -1.50 120.51 117.66 1j4e n ALA 338 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1j4e n ALA 338 Cb 0.27 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1j4e n ALA 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j4e n GLN 339 N -1.49 0.77 -1.82 0.00 6.02 -0.50 -4.65 117.38 115.72 1j4e n GLN 339 Ca 0.03 -0.97 -0.13 0.00 -0.01 0.00 0.00 57.00 55.92 1j4e n GLN 339 Cb 0.12 -1.01 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 1j4e n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j4e n GLY 340 N -0.17 0.58 0.64 1.08 0.00 -0.56 -4.90 105.19 101.86 1j4e n GLY 340 Ca 0.01 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1j4e n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4e n LYS 341 N -2.42 2.56 -2.68 1.61 5.02 -0.31 -4.92 118.16 117.03 1j4e n LYS 341 Ca -0.14 -2.63 -0.43 0.00 -2.02 0.00 0.00 58.31 53.09 1j4e n LYS 341 Cb 0.52 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1j4e n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1j4e s TYR 342 N -2.54 3.45 -0.48 2.13 5.04 -1.22 -4.85 117.35 118.87 1j4e s TYR 342 Ca 0.36 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.57 1j4e s TYR 342 Cb 0.29 -3.22 0.13 0.00 0.35 0.00 0.00 41.96 39.50 1j4e s TYR 342 CO 0.08 -0.32 0.22 0.95 -1.34 0.00 0.00 175.55 175.14 1j4e s THR 343 N 2.46 2.32 -0.98 4.34 -4.23 -1.26 -4.99 115.64 113.30 1j4e s THR 343 Ca 0.47 -3.02 0.00 0.00 -1.18 0.00 0.00 61.69 57.96 1j4e s THR 343 Cb -0.17 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1j4e s THR 343 CO 0.13 -0.78 0.25 -2.65 -0.54 0.00 0.00 174.62 171.03