#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 -0.54 0.23 0.00 -0.04 0.00 0.00 33.50 33.14 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 1.92 0.86 -3.17 0.55 0.00 -2.00 -3.45 119.26 113.98 1j4e h ALA 6 Ca -0.15 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 1j4e h ALA 6 Cb 0.50 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.02 1j4e h ALA 6 CO 0.36 0.42 -0.73 -0.51 0.00 0.00 0.00 179.25 178.78 1j4e s LEU 7 N -6.59 2.25 0.55 0.00 1.43 -1.26 -4.94 118.68 110.11 1j4e s LEU 7 Ca 0.03 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1j4e s LEU 7 Cb 0.08 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.18 1j4e s LEU 7 CO 0.69 -0.21 0.82 0.42 0.23 0.00 0.00 176.35 178.31 1j4e s THR 8 N -1.35 3.56 0.27 5.49 -4.23 -1.26 -4.87 115.64 113.24 1j4e s THR 8 Ca -0.10 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1j4e s THR 8 Cb -0.10 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1j4e s THR 8 CO 0.00 -0.34 1.88 -0.65 -0.54 0.00 0.00 174.62 174.97 1j4e h PRO 9 N 0.00 1.13 -0.75 3.99 0.11 -2.01 0.10 132.00 134.57 1j4e h PRO 9 Ca -0.45 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1j4e h PRO 9 Cb 1.26 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1j4e h PRO 9 CO 0.59 0.75 0.45 0.93 -0.21 0.00 0.00 178.00 180.50 1j4e h GLU 10 N 1.16 1.03 -0.34 1.05 3.07 -2.00 -1.24 114.58 117.32 1j4e h GLU 10 Ca 0.44 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1j4e h GLU 10 Cb 0.20 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1j4e h GLU 10 CO -0.18 0.74 -0.15 1.96 -1.40 0.00 0.00 179.01 179.97 1j4e h GLN 11 N 1.03 0.70 -0.54 2.33 4.20 -1.67 -2.40 115.11 118.75 1j4e h GLN 11 Ca 0.27 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1j4e h GLN 11 Cb -0.02 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1j4e h GLN 11 CO -0.05 0.90 0.30 0.87 -0.67 0.00 0.00 178.83 180.18 1j4e h LYS 12 N 0.47 0.57 -0.86 1.46 1.57 -0.73 -1.70 116.57 117.35 1j4e h LYS 12 Ca 0.08 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1j4e h LYS 12 Cb 0.68 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1j4e h LYS 12 CO 0.05 0.38 0.42 -0.22 -0.57 0.00 0.00 179.45 179.50 1j4e h LYS 13 N 0.59 1.24 -0.54 3.15 3.64 -1.13 -0.37 116.57 123.15 1j4e h LYS 13 Ca 0.23 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1j4e h LYS 13 Cb 0.09 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1j4e h LYS 13 CO -0.13 0.95 0.14 1.49 -2.27 0.00 0.00 179.45 179.63 1j4e h GLU 14 N 1.23 0.85 -0.25 1.90 4.81 -0.94 -0.33 114.58 121.84 1j4e h GLU 14 Ca 0.30 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1j4e h GLU 14 Cb 0.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1j4e h GLU 14 CO -0.04 0.80 0.06 -0.07 -0.73 0.00 0.00 179.01 179.03 1j4e h LEU 15 N 0.75 0.38 0.00 1.64 3.38 -0.98 -1.95 115.31 118.53 1j4e h LEU 15 Ca 0.17 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1j4e h LEU 15 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1j4e h LEU 15 CO -0.00 0.51 -0.03 -1.28 0.09 0.00 0.00 178.44 177.73 1j4e h SER 16 N 0.23 -0.09 -0.35 -0.43 0.87 -0.97 -0.73 113.55 112.08 1j4e h SER 16 Ca 0.08 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1j4e h SER 16 Cb 0.28 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1j4e h SER 16 CO 0.00 -0.05 0.01 0.44 -0.53 0.00 0.00 176.83 176.70 1j4e h ASP 17 N -0.06 -0.12 -0.39 6.23 3.32 -1.01 -0.27 116.42 124.13 1j4e h ASP 17 Ca 0.01 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1j4e h ASP 17 Cb 0.08 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1j4e h ASP 17 CO -0.03 -0.02 0.20 0.40 -1.72 0.00 0.00 179.24 178.06 1j4e h ILE 18 N 0.11 0.98 -0.20 0.35 2.04 -1.12 -1.56 117.51 118.11 1j4e h ILE 18 Ca 0.17 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1j4e h ILE 18 Cb 0.23 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1j4e h ILE 18 CO -0.28 0.07 0.07 0.00 0.00 0.00 0.00 178.15 178.01 1j4e h ALA 19 N 1.20 0.22 -0.63 1.87 0.00 -0.40 -2.36 119.26 119.16 1j4e h ALA 19 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j4e h ALA 19 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1j4e h ALA 19 CO -0.11 -0.36 0.22 0.45 0.00 0.00 0.00 179.25 179.45 1j4e h HIS 20 N 0.16 0.95 -0.53 0.00 3.86 -0.86 -2.89 115.15 115.85 1j4e h HIS 20 Ca 0.09 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1j4e h HIS 20 Cb 0.06 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1j4e h HIS 20 CO -0.12 0.75 0.33 -0.09 0.86 0.00 0.00 177.93 179.66 1j4e h ARG 21 N 0.91 0.71 -0.79 2.45 2.43 -0.99 -0.83 114.38 118.26 1j4e h ARG 21 Ca 0.21 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1j4e h ARG 21 Cb 0.23 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1j4e h ARG 21 CO -0.01 0.50 0.50 0.82 -1.51 0.00 0.00 179.97 180.27 1j4e h ILE 22 N 0.71 1.11 -0.37 1.20 2.04 -1.22 -3.08 117.51 117.89 1j4e h ILE 22 Ca 0.19 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1j4e h ILE 22 Cb -0.03 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 1j4e h ILE 22 CO -0.04 0.18 0.03 1.33 0.00 0.00 0.00 178.15 179.65 1j4e n VAL 23 N -4.61 2.46 -1.07 1.67 0.24 -1.11 -4.21 118.33 111.70 1j4e n VAL 23 Ca 0.10 -1.94 -0.35 0.00 -2.04 0.00 0.00 64.34 60.11 1j4e n VAL 23 Cb 0.10 -0.28 0.08 0.00 -1.47 0.00 0.00 33.84 32.27 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 -0.46 -2.28 -1.51 2.33 0.00 -0.34 -4.64 120.51 113.62 1j4e n ALA 24 Ca 0.26 -0.40 -0.58 0.00 0.00 0.00 0.00 53.44 52.73 1j4e n ALA 24 Cb 1.01 -1.76 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.73 0.14 -0.57 0.00 -0.02 -1.26 -0.69 135.00 131.87 1j4e n PRO 25 Ca 0.08 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1j4e n PRO 25 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.64 1.17 3.89 -1.23 0.00 -1.26 -5.00 105.19 104.38 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 -0.20 3.28 0.04 1.61 1.02 0.14 -4.50 119.74 121.13 1j4e s LYS 27 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1j4e s LYS 27 Cb 0.00 -2.92 -0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1j4e s LYS 27 CO 0.00 0.56 0.05 0.41 -0.92 0.00 0.00 175.35 175.45 1j4e n GLY 28 N -0.00 3.40 3.45 -3.33 0.00 -0.38 -4.63 105.19 103.69 1j4e n GLY 28 Ca -0.07 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.34 2.87 -0.40 -0.61 1.01 0.17 0.07 121.20 121.96 1j4e s ILE 29 Ca 0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 1j4e s ILE 29 Cb 0.00 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.38 1j4e s ILE 29 CO 0.03 0.56 0.26 -0.22 0.00 0.00 0.00 174.94 175.57 1j4e s LEU 30 N -0.79 4.95 -1.02 2.97 2.96 0.04 -2.21 118.68 125.58 1j4e s LEU 30 Ca 0.12 -0.97 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 1j4e s LEU 30 Cb -0.10 -2.10 0.14 0.00 0.50 0.00 0.00 46.19 44.63 1j4e s LEU 30 CO 0.01 -0.43 1.23 0.00 -1.32 0.00 0.00 176.35 175.84 1j4e s ALA 31 N 1.62 3.55 -0.48 5.97 0.00 0.33 -0.90 121.76 131.85 1j4e s ALA 31 Ca 0.04 -2.95 0.03 0.00 0.00 0.00 0.00 51.96 49.08 1j4e s ALA 31 Cb -0.19 -4.09 0.56 0.00 0.00 0.00 0.00 23.12 19.40 1j4e s ALA 31 CO 0.08 -2.93 1.83 0.00 0.00 0.00 0.00 175.76 174.74 1j4e n ALA 32 N 6.33 5.58 -0.39 0.00 0.00 -0.64 -4.27 120.51 127.11 1j4e n ALA 32 Ca 0.28 -3.17 -0.02 0.00 0.00 0.00 0.00 53.44 50.53 1j4e n ALA 32 Cb 0.47 -1.35 0.24 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.05 4.08 -4.71 0.00 5.75 -0.93 -4.22 116.55 115.47 1j4e n ASP 33 Ca 0.55 -2.79 -0.43 0.00 -0.01 0.00 0.00 54.79 52.11 1j4e n ASP 33 Cb 1.22 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.11 2.44 -1.32 0.11 4.71 -1.26 -4.47 120.64 120.95 1j4e n GLU 34 Ca 0.26 0.87 -0.30 0.00 -0.01 0.00 0.00 57.16 57.98 1j4e n GLU 34 Cb 1.04 -2.63 0.24 0.00 -1.01 0.00 0.00 31.44 29.07 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 0.66 1.24 0.27 1.62 1.04 -1.26 -4.54 113.70 112.73 1j4e s SER 35 Ca 0.70 0.41 -0.03 0.00 0.48 0.00 0.00 55.95 57.51 1j4e s SER 35 Cb -0.57 -0.51 0.37 0.00 0.10 0.00 0.00 66.02 65.41 1j4e s SER 35 CO 0.43 -3.91 1.91 0.74 0.98 0.00 0.00 173.24 173.40 1j4e h THR 36 N -2.44 1.16 -0.27 2.02 2.02 -1.99 -0.38 112.91 113.03 1j4e h THR 36 Ca -0.43 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 1j4e h THR 36 Cb 1.26 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1j4e h THR 36 CO 0.30 0.22 -0.35 1.23 0.37 0.00 0.00 175.52 177.29 1j4e h GLY 37 N 1.23 0.79 0.69 2.16 0.00 -1.99 -2.33 103.07 103.61 1j4e h GLY 37 Ca 0.40 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1j4e h GLY 37 CO -0.13 0.77 -0.17 1.76 0.00 0.00 0.00 176.54 178.76 1j4e h SER 38 N 0.46 -0.41 -0.07 0.19 0.02 -1.80 -2.90 113.55 109.04 1j4e h SER 38 Ca 0.03 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1j4e h SER 38 Cb 0.94 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1j4e h SER 38 CO 0.08 -0.05 0.08 -0.29 -1.14 0.00 0.00 176.83 175.51 1j4e h ILE 39 N -0.80 0.53 -0.53 3.27 6.09 -1.18 -0.58 117.51 124.31 1j4e h ILE 39 Ca -0.05 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.43 1j4e h ILE 39 Cb 0.52 0.94 -0.03 0.00 0.47 0.00 0.00 36.82 38.73 1j4e h ILE 39 CO 0.08 0.00 0.30 0.00 -3.07 0.00 0.00 178.15 175.46 1j4e h ALA 40 N 1.91 0.68 -0.44 0.18 0.00 -1.21 0.40 119.26 120.78 1j4e h ALA 40 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1j4e h ALA 40 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j4e h ALA 40 CO -0.00 0.19 0.28 0.87 0.00 0.00 0.00 179.25 180.59 1j4e h LYS 41 N 0.71 0.55 0.38 0.00 1.79 -1.01 -0.45 116.57 118.54 1j4e h LYS 41 Ca 0.19 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1j4e h LYS 41 Cb 0.03 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1j4e h LYS 41 CO -0.03 0.36 -0.52 0.00 -1.08 0.00 0.00 179.45 178.19 1j4e h ARG 42 N 0.57 -0.90 -0.79 3.15 2.47 -1.11 -1.50 114.38 116.26 1j4e h ARG 42 Ca 0.17 0.06 0.10 0.00 -1.26 0.00 0.00 59.98 59.04 1j4e h ARG 42 Cb -0.04 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 1j4e h ARG 42 CO -0.05 -0.60 0.51 -0.07 0.56 0.00 0.00 179.97 180.32 1j4e h LEU 43 N -0.93 0.65 -0.10 3.04 3.38 -0.81 -1.83 115.31 118.71 1j4e h LEU 43 Ca -0.04 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1j4e h LEU 43 Cb 0.84 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1j4e h LEU 43 CO -0.14 0.39 -0.09 -0.61 0.09 0.00 0.00 178.44 178.08 1j4e h GLN 44 N 0.72 -0.11 0.00 1.13 4.15 -0.29 -1.67 115.11 119.04 1j4e h GLN 44 Ca 0.36 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1j4e h GLN 44 Cb 0.45 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1j4e h GLN 44 CO -0.14 -0.07 0.05 -1.13 -1.93 0.00 0.00 178.83 175.61 1j4e n SER 45 N -5.23 0.00 -1.81 -0.69 3.41 -0.64 -0.44 113.62 108.21 1j4e n SER 45 Ca -0.04 0.13 0.02 0.00 -0.26 0.00 0.00 58.87 58.73 1j4e n SER 45 Cb 0.15 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.05 0.58 -4.27 -1.33 -5.35 -0.72 -5.02 119.36 102.21 1j4e n ILE 46 Ca 0.00 -1.78 -0.35 0.00 -0.27 0.00 0.00 62.75 60.35 1j4e n ILE 46 Cb 0.05 0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 38.80 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 0.05 -0.27 3.14 3.28 0.00 0.41 -4.63 105.19 107.16 1j4e n GLY 47 Ca 0.08 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.20 1.77 0.45 2.61 2.01 -0.71 -4.99 115.64 112.58 1j4e s THR 48 Ca 0.11 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 1j4e s THR 48 Cb -0.06 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 1j4e s THR 48 CO 0.99 0.50 1.45 -0.70 -0.69 0.00 0.00 174.62 176.17 1j4e s GLU 49 N 0.66 3.71 -1.25 4.92 2.12 -1.26 -4.12 118.70 123.48 1j4e s GLU 49 Ca -0.13 2.46 -0.12 0.00 0.36 0.00 0.00 54.97 57.54 1j4e s GLU 49 Cb -0.16 -2.69 0.16 0.00 0.26 0.00 0.00 34.13 31.70 1j4e s GLU 49 CO 0.03 -0.81 1.63 -1.71 -0.54 0.00 0.00 175.26 173.86 1j4e n ASN 50 N -0.14 5.13 -4.98 -1.70 5.15 -1.26 -4.81 115.26 112.66 1j4e n ASN 50 Ca 0.05 -3.02 -0.19 0.00 -0.60 0.00 0.00 54.58 50.81 1j4e n ASN 50 Cb 0.41 -1.55 0.01 0.00 -0.53 0.00 0.00 39.78 38.13 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 1.26 2.70 0.05 -0.44 -4.23 -1.26 -5.01 115.64 108.70 1j4e s THR 51 Ca 0.42 -1.11 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1j4e s THR 51 Cb 0.03 -2.81 -0.16 0.00 1.34 0.00 0.00 72.50 70.90 1j4e s THR 51 CO 0.00 0.00 1.27 -0.08 -0.54 0.00 0.00 174.62 175.27 1j4e h GLU 52 N 0.66 0.51 -0.55 3.99 4.81 -1.99 -2.59 114.58 119.41 1j4e h GLU 52 Ca -0.38 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.50 1j4e h GLU 52 Cb 1.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1j4e h GLU 52 CO 0.48 0.99 0.34 1.49 -0.73 0.00 0.00 179.01 181.58 1j4e h GLU 53 N 0.13 0.65 -0.99 1.92 4.57 -1.98 0.29 114.58 119.17 1j4e h GLU 53 Ca -0.01 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1j4e h GLU 53 Cb 1.02 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.41 1j4e h GLU 53 CO 0.09 0.43 0.65 -0.91 -1.18 0.00 0.00 179.01 178.09 1j4e h ASN 54 N 0.67 1.11 -0.11 1.04 2.35 -1.87 0.19 115.58 118.96 1j4e h ASN 54 Ca 0.22 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1j4e h ASN 54 Cb 0.02 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1j4e h ASN 54 CO -0.09 0.78 0.01 0.03 -1.65 0.00 0.00 177.43 176.50 1j4e h ARG 55 N 1.30 0.18 -0.53 0.81 3.08 -0.92 -1.40 114.38 116.91 1j4e h ARG 55 Ca 0.38 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.41 1j4e h ARG 55 Cb -0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1j4e h ARG 55 CO -0.10 0.42 0.29 -0.09 -1.07 0.00 0.00 179.97 179.42 1j4e h ARG 56 N -0.08 0.55 -0.66 0.04 2.43 0.06 -0.02 114.38 116.70 1j4e h ARG 56 Ca 0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j4e h ARG 56 Cb 0.34 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1j4e h ARG 56 CO 0.00 0.36 0.41 0.35 -1.51 0.00 0.00 179.97 179.59 1j4e h PHE 57 N 0.57 0.86 -0.14 2.20 3.57 -0.58 0.13 116.94 123.54 1j4e h PHE 57 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1j4e h PHE 57 Cb 0.09 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1j4e h PHE 57 CO -0.08 0.57 0.03 -0.92 -2.23 0.00 0.00 178.31 175.68 1j4e h TYR 58 N 0.90 0.24 -0.62 0.41 3.20 -0.61 0.22 116.97 120.70 1j4e h TYR 58 Ca 0.24 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1j4e h TYR 58 Cb -0.05 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1j4e h TYR 58 CO -0.02 0.38 0.27 0.00 -1.64 0.00 0.00 178.16 177.15 1j4e h ARG 59 N 0.02 0.90 -0.24 1.82 -0.00 -0.80 -1.98 114.38 114.10 1j4e h ARG 59 Ca 0.04 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1j4e h ARG 59 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 1j4e h ARG 59 CO 0.00 0.72 0.14 0.37 0.00 0.00 0.00 179.97 181.20 1j4e h GLN 60 N 0.89 0.32 -0.83 0.04 4.15 -0.39 0.81 115.11 120.11 1j4e h GLN 60 Ca 0.21 -0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.79 1j4e h GLN 60 Cb 0.14 -0.07 -0.12 0.00 0.21 0.00 0.00 27.48 27.65 1j4e h GLN 60 CO -0.02 0.26 0.31 1.25 -1.93 0.00 0.00 178.83 178.70 1j4e h LEU 61 N 0.29 0.21 0.23 -2.39 6.46 0.17 -0.44 115.31 119.85 1j4e h LEU 61 Ca 0.09 0.15 -0.33 0.00 -0.12 0.00 0.00 57.88 57.67 1j4e h LEU 61 Cb 0.02 0.15 0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1j4e h LEU 61 CO -0.02 0.01 -1.47 -0.07 -0.62 0.00 0.00 178.44 176.27 1j4e h LEU 62 N 0.37 0.77 -0.98 2.25 3.38 -1.11 -3.33 115.31 116.65 1j4e h LEU 62 Ca 0.49 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1j4e h LEU 62 Cb 0.87 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1j4e h LEU 62 CO -0.51 1.70 0.00 -0.07 0.09 0.00 0.00 178.44 179.65 1j4e h LEU 63 N 0.08 0.00 -3.19 1.67 3.38 -0.22 -3.21 115.31 113.81 1j4e h LEU 63 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1j4e h LEU 63 Cb 2.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 1j4e h LEU 63 CO 0.24 0.00 -0.02 0.35 0.09 0.00 0.00 178.44 179.11 1j4e n THR 64 N -2.66 2.20 -1.03 0.22 -2.24 -0.23 -4.71 114.28 105.83 1j4e n THR 64 Ca 0.02 -2.09 -0.33 0.00 -2.27 0.00 0.00 64.05 59.37 1j4e n THR 64 Cb 0.29 -0.26 0.13 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.84 -0.27 -0.72 6.98 0.00 -1.22 -4.91 120.51 119.54 1j4e n ALA 65 Ca 0.21 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 1j4e n ALA 65 Cb 0.83 -2.22 0.15 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.29 -2.35 0.00 0.00 5.68 -1.26 -4.82 116.55 110.51 1j4e n ASP 66 Ca 0.13 0.02 0.04 0.00 -0.50 0.00 0.00 54.79 54.49 1j4e n ASP 66 Cb 0.51 -1.02 0.24 0.00 -1.14 0.00 0.00 41.12 39.71 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 -1.41 0.00 0.24 -1.12 8.00 -1.26 -2.90 116.55 118.10 1j4e n ASP 67 Ca 0.02 -0.09 0.09 0.00 0.71 0.00 0.00 54.79 55.53 1j4e n ASP 67 Cb 0.60 -0.12 0.60 0.00 -0.02 0.00 0.00 41.12 42.17 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 -1.68 114.38 112.54 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 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1j4e h ARG 68 CO 0.00 0.19 0.00 1.55 -1.07 0.00 0.00 179.97 180.64 1j4e n VAL 69 N -3.80 0.53 0.06 2.04 3.14 -1.14 -4.21 118.33 114.94 1j4e n VAL 69 Ca -0.02 -0.15 -0.13 0.00 -2.96 0.00 0.00 64.34 61.09 1j4e n VAL 69 Cb 0.29 -0.66 -0.06 0.00 -1.06 0.00 0.00 33.84 32.35 1j4e n VAL 69 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1j4e h ASN 70 N 0.00 -1.11 0.45 6.55 4.21 -1.52 -1.49 115.58 122.66 1j4e h ASN 70 Ca 0.00 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1j4e h ASN 70 Cb 0.63 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1j4e h ASN 70 CO 0.00 -0.42 0.00 -0.81 -1.29 0.00 0.00 177.43 174.91 1j4e n PRO 71 N -5.43 0.05 0.01 0.81 -0.04 -1.26 -2.69 135.00 126.45 1j4e n PRO 71 Ca -0.05 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1j4e n PRO 71 Cb 0.35 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.58 2.00 -3.36 0.55 0.00 -0.67 -4.22 120.51 113.24 1j4e n ALA 72 Ca 0.02 -0.66 -0.45 0.00 0.00 0.00 0.00 53.44 52.35 1j4e n ALA 72 Cb 0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.95 5.06 -0.41 0.00 -1.09 -0.65 -1.25 121.20 119.91 1j4e s ILE 73 Ca -0.05 -1.64 0.22 0.00 -2.23 0.00 0.00 60.65 56.96 1j4e s ILE 73 Cb 0.09 -4.25 0.30 0.00 -1.58 0.00 0.00 42.46 37.02 1j4e s ILE 73 CO 0.83 -0.87 1.57 1.23 -1.23 0.00 0.00 174.94 176.47 1j4e h GLY 74 N 8.72 0.00 -3.65 6.18 0.00 -0.54 -3.38 103.07 110.40 1j4e h GLY 74 Ca -0.25 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.24 1j4e h GLY 74 CO 0.99 0.00 0.63 -0.32 0.00 0.00 0.00 176.54 177.83 1j4e s GLY 75 N -4.24 -0.37 -0.02 4.60 0.00 -1.03 -1.73 107.32 104.53 1j4e s GLY 75 Ca 0.06 1.37 -0.00 0.00 0.00 0.00 0.00 44.72 46.16 1j4e s GLY 75 CO 0.68 0.49 0.03 0.54 0.00 0.00 0.00 173.10 174.84 1j4e s VAL 76 N -2.62 -0.03 -0.07 1.40 0.11 -0.75 -0.78 120.40 117.66 1j4e s VAL 76 Ca 0.06 0.21 -0.20 0.00 -2.93 0.00 0.00 61.98 59.12 1j4e s VAL 76 Cb -0.01 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1j4e s VAL 76 CO -0.06 0.10 0.58 -0.63 -3.33 0.00 0.00 175.10 171.76 1j4e s ILE 77 N 1.11 5.06 0.21 7.04 1.01 -0.08 -0.68 121.20 134.88 1j4e s ILE 77 Ca -0.09 1.19 0.11 0.00 0.00 0.00 0.00 60.65 61.86 1j4e s ILE 77 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1j4e s ILE 77 CO -0.03 0.33 -0.16 -0.76 0.00 0.00 0.00 174.94 174.32 1j4e s LEU 78 N 0.44 2.72 0.33 2.97 1.43 0.11 -1.62 118.68 125.06 1j4e s LEU 78 Ca 0.31 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1j4e s LEU 78 Cb -0.17 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 1j4e s LEU 78 CO 0.15 0.09 0.63 0.12 0.23 0.00 0.00 176.35 177.56 1j4e s PHE 79 N -1.92 3.47 0.20 0.29 5.36 -1.26 -1.72 117.98 122.40 1j4e s PHE 79 Ca 0.25 0.79 -0.24 0.00 -0.96 0.00 0.00 56.93 56.77 1j4e s PHE 79 Cb -0.07 -2.23 0.09 0.00 -0.34 0.00 0.00 43.02 40.47 1j4e s PHE 79 CO 0.14 0.08 1.55 1.25 -1.46 0.00 0.00 175.22 176.77 1j4e h HIS 80 N 1.57 -1.45 -0.16 10.12 6.17 -1.93 -1.98 115.15 127.49 1j4e h HIS 80 Ca -0.47 0.11 0.03 0.00 0.71 0.00 0.00 60.37 60.75 1j4e h HIS 80 Cb 1.19 0.77 -0.06 0.00 2.52 0.00 0.00 27.41 31.82 1j4e h HIS 80 CO 0.59 -0.39 -0.51 1.49 0.71 0.00 0.00 177.93 179.82 1j4e h GLU 81 N -0.02 -0.50 -0.84 5.26 4.81 -1.98 -2.50 114.58 118.81 1j4e h GLU 81 Ca 0.26 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.69 1j4e h GLU 81 Cb 0.52 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 29.90 1j4e h GLU 81 CO -0.94 -0.33 0.38 1.15 -0.73 0.00 0.00 179.01 178.54 1j4e h THR 82 N -0.51 0.62 -0.03 0.32 2.02 -1.77 -0.25 112.91 113.31 1j4e h THR 82 Ca 0.03 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1j4e h THR 82 Cb 0.62 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1j4e h THR 82 CO -0.43 0.09 0.29 0.25 0.37 0.00 0.00 175.52 176.10 1j4e h LEU 83 N 0.49 0.00 -3.06 2.58 5.85 -0.96 0.74 115.31 120.95 1j4e h LEU 83 Ca 0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1j4e h LEU 83 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1j4e h LEU 83 CO -0.43 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.45 1j4e n TYR 84 N -2.98 0.43 -3.15 1.25 4.01 -0.12 -4.53 117.16 112.07 1j4e n TYR 84 Ca -0.02 -0.75 -0.18 0.00 -0.16 0.00 0.00 57.90 56.80 1j4e n TYR 84 Cb 0.35 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.06 2.93 0.11 -0.72 -0.21 0.25 -4.99 119.66 114.97 1j4e s GLN 85 Ca 0.27 -1.09 0.06 0.00 0.02 0.00 0.00 55.36 54.62 1j4e s GLN 85 Cb 0.21 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 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 1.00 0.66 2.91 1.02 -1.26 -1.48 119.74 118.27 1j4e s LYS 86 Ca 0.51 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 1j4e s LYS 86 Cb -0.10 -0.92 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1j4e s LYS 86 CO 0.33 0.18 1.03 0.00 -0.92 0.00 0.00 175.35 175.97 1j4e s ALA 87 N -1.95 3.04 0.41 5.17 0.00 -0.36 -4.88 121.76 123.18 1j4e s ALA 87 Ca 0.07 -0.38 0.21 0.00 0.00 0.00 0.00 51.96 51.86 1j4e s ALA 87 Cb -0.06 -2.93 1.17 0.00 0.00 0.00 0.00 23.12 21.30 1j4e s ALA 87 CO 0.03 -0.96 1.75 -0.44 0.00 0.00 0.00 175.76 176.14 1j4e h ASP 88 N -0.46 0.40 0.00 0.00 3.32 -1.98 0.59 116.42 118.29 1j4e h ASP 88 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1j4e h ASP 88 Cb 1.24 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1j4e h ASP 88 CO 0.63 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.29 1j4e n ASP 89 N -4.62 0.00 0.00 6.45 5.68 -1.26 -4.85 116.55 117.95 1j4e n ASP 89 Ca 0.27 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1j4e n ASP 89 Cb 0.97 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 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 0.32 2.80 3.75 6.12 0.00 0.21 -5.01 105.19 113.37 1j4e n GLY 90 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.17 4.38 0.26 1.61 0.52 -1.26 -4.69 118.95 119.60 1j4e s ARG 91 Ca 0.00 2.12 -0.30 0.00 -0.52 0.00 0.00 55.73 57.03 1j4e s ARG 91 Cb 0.00 -3.15 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 1j4e s ARG 91 CO 0.00 -0.24 1.41 -2.14 0.02 0.00 0.00 175.30 174.36 1j4e s PRO 92 N -0.64 4.28 0.30 3.54 0.02 -1.26 -1.22 135.00 140.03 1j4e s PRO 92 Ca 0.55 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.87 1j4e s PRO 92 Cb -0.38 -3.11 0.76 0.00 0.02 0.00 0.00 34.50 31.80 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 4.84 0.23 -0.58 6.54 0.04 -1.53 0.68 116.94 127.17 1j4e h PHE 93 Ca -0.46 0.06 0.14 0.00 2.80 0.00 0.00 57.97 60.50 1j4e h PHE 93 Cb 1.22 0.05 -0.03 0.00 2.20 0.00 0.00 35.95 39.39 1j4e h PHE 93 CO 0.60 -0.31 0.40 -1.35 -0.60 0.00 0.00 178.31 177.04 1j4e h PRO 94 N 0.11 0.16 -0.16 1.51 0.11 -1.85 -0.91 132.00 130.98 1j4e h PRO 94 Ca 0.59 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.57 1j4e h PRO 94 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j4e h PRO 94 CO -0.76 0.11 -0.37 0.37 -0.21 0.00 0.00 178.00 177.13 1j4e h GLN 95 N 0.17 0.53 0.11 1.05 4.15 0.02 -0.97 115.11 120.16 1j4e h GLN 95 Ca 0.28 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.35 1j4e h GLN 95 Cb 0.86 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 1j4e h GLN 95 CO -0.04 0.97 -0.22 0.28 -1.93 0.00 0.00 178.83 177.89 1j4e h VAL 96 N 0.16 0.50 -0.56 2.39 2.07 -0.89 0.30 116.25 120.22 1j4e h VAL 96 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1j4e h VAL 96 Cb 0.98 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1j4e h VAL 96 CO 0.08 0.00 0.23 0.40 0.02 0.00 0.00 177.57 178.30 1j4e h ILE 97 N -0.41 0.83 0.00 4.57 2.04 -1.23 -1.97 117.51 121.35 1j4e h ILE 97 Ca 0.03 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1j4e h ILE 97 Cb 0.44 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1j4e h ILE 97 CO -0.13 0.08 -0.46 0.50 0.00 0.00 0.00 178.15 178.14 1j4e h LYS 98 N 0.43 0.00 0.00 2.37 3.64 -0.71 -2.05 116.57 120.25 1j4e h LYS 98 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1j4e h LYS 98 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1j4e h LYS 98 CO -0.25 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 178.04 1j4e h SER 99 N 0.00 0.00 -0.54 4.20 4.64 0.34 -2.83 113.55 119.36 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 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1j4e h SER 99 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1j4e n LYS 100 N -2.68 2.45 -0.56 4.77 5.02 -0.99 -4.93 118.16 121.24 1j4e n LYS 100 Ca 0.03 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1j4e n LYS 100 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 1.50 0.66 3.67 0.72 0.00 -1.07 -4.70 105.19 105.98 1j4e n GLY 101 Ca 0.21 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.47 1.67 0.09 -0.02 0.00 -0.79 -4.81 107.32 100.99 1j4e s GLY 102 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 1j4e s GLY 102 CO 0.00 -1.49 0.47 0.14 0.00 0.00 0.00 173.10 172.22 1j4e s VAL 103 N -1.94 4.97 -0.10 1.40 1.01 -0.71 -3.77 120.40 121.27 1j4e s VAL 103 Ca 0.29 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 62.76 1j4e s VAL 103 Cb -0.08 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1j4e s VAL 103 CO 0.20 0.33 0.59 -0.69 0.00 0.00 0.00 175.10 175.52 1j4e s VAL 104 N -1.36 5.11 0.11 2.92 1.01 -1.26 -1.82 120.40 125.11 1j4e s VAL 104 Ca 0.33 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.59 1j4e s VAL 104 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1j4e s VAL 104 CO 0.18 0.27 -0.19 -0.83 0.00 0.00 0.00 175.10 174.53 1j4e s GLY 105 N 0.76 1.66 -0.06 4.51 0.00 0.14 -0.79 107.32 113.55 1j4e s GLY 105 Ca 0.31 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1j4e s GLY 105 CO 0.14 -1.31 -0.09 -1.50 0.00 0.00 0.00 173.10 170.33 1j4e s ILE 106 N -1.10 0.91 0.00 0.90 1.10 -0.43 0.08 121.20 122.66 1j4e s ILE 106 Ca 0.17 -0.34 -0.30 0.00 -0.51 0.00 0.00 60.65 59.67 1j4e s ILE 106 Cb -0.10 -0.86 -0.03 0.00 0.15 0.00 0.00 42.46 41.61 1j4e s ILE 106 CO 0.09 0.31 1.02 -0.75 -2.11 0.00 0.00 174.94 173.49 1j4e s LYS 107 N 0.78 4.53 0.00 3.50 2.20 -0.70 -2.30 119.74 127.75 1j4e s LYS 107 Ca -0.13 1.48 0.07 0.00 -0.36 0.00 0.00 55.97 57.02 1j4e s LYS 107 Cb -0.15 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1j4e s LYS 107 CO 0.02 -0.10 0.31 1.33 -0.36 0.00 0.00 175.35 176.55 1j4e n VAL 108 N 3.95 0.00 -2.52 4.02 0.24 -0.97 -4.62 118.33 118.43 1j4e n VAL 108 Ca 0.07 -0.36 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 1j4e n VAL 108 Cb 0.50 1.01 -0.03 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 -1.55 6.33 -0.53 -1.34 1.47 -1.25 -4.82 116.67 114.98 1j4e s ASP 109 Ca 0.03 1.90 0.02 0.00 1.18 0.00 0.00 52.55 55.68 1j4e s ASP 109 Cb 0.05 -2.56 0.44 0.00 -0.34 0.00 0.00 42.92 40.51 1j4e s ASP 109 CO 0.26 -0.79 1.61 0.29 0.68 0.00 0.00 175.17 177.22 1j4e n LYS 110 N -1.05 3.13 -0.11 2.11 5.02 0.69 -4.96 118.16 122.99 1j4e n LYS 110 Ca 0.09 -3.80 0.01 0.00 -2.02 0.00 0.00 58.31 52.59 1j4e n LYS 110 Cb 0.53 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 -0.73 -1.87 3.89 0.72 0.00 -1.26 -4.65 105.19 101.29 1j4e n GLY 111 Ca 0.52 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.91 4.88 0.05 1.61 -7.23 -1.26 -1.84 120.40 114.71 1j4e s VAL 112 Ca 0.00 0.39 0.03 0.00 -1.81 0.00 0.00 61.98 60.59 1j4e s VAL 112 Cb 0.00 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1j4e s VAL 112 CO 0.00 -0.45 -0.09 0.68 -0.31 0.00 0.00 175.10 174.93 1j4e s VAL 113 N -2.26 0.68 0.37 1.32 -7.23 0.49 -4.89 120.40 108.87 1j4e s VAL 113 Ca 0.48 -1.11 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 1j4e s VAL 113 Cb -0.10 -0.72 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 1j4e s VAL 113 CO 0.31 -0.32 1.23 -2.16 -0.31 0.00 0.00 175.10 173.85 1j4e s PRO 114 N -1.56 4.19 -0.46 4.82 0.04 -1.26 -1.54 135.00 139.22 1j4e s PRO 114 Ca -0.08 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1j4e s PRO 114 Cb -0.10 -2.87 0.08 0.00 0.04 0.00 0.00 34.50 31.65 1j4e s PRO 114 CO 0.01 -0.26 0.37 -1.17 0.04 0.00 0.00 177.00 175.99 1j4e s LEU 115 N -2.15 5.55 0.51 -3.56 2.96 -0.71 -4.83 118.68 116.44 1j4e s LEU 115 Ca 0.53 -1.42 -0.21 0.00 -0.22 0.00 0.00 54.13 52.81 1j4e s LEU 115 Cb -0.35 -2.13 -0.08 0.00 0.50 0.00 0.00 46.19 44.13 1j4e s LEU 115 CO 0.45 -0.63 0.91 0.00 -1.32 0.00 0.00 176.35 175.76 1j4e n ALA 116 N 5.13 -0.04 -0.97 5.97 0.00 -1.26 -2.46 120.51 126.87 1j4e n ALA 116 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1j4e n ALA 116 Cb 0.43 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.32 0.83 3.67 0.00 0.00 -1.26 -5.02 105.19 104.74 1j4e n GLY 117 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.39 2.74 -1.41 2.61 -4.23 -1.03 -5.03 115.64 105.90 1j4e s THR 118 Ca 0.00 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 1j4e s THR 118 Cb 0.00 -2.88 0.06 0.00 1.34 0.00 0.00 72.50 71.02 1j4e s THR 118 CO 0.00 -0.18 2.12 -3.20 -0.54 0.00 0.00 174.62 172.82 1j4e n ASN 119 N -1.04 4.18 -1.13 3.99 5.15 -1.26 -4.38 115.26 120.76 1j4e n ASN 119 Ca -0.04 -2.89 -0.11 0.00 -0.60 0.00 0.00 54.58 50.94 1j4e n ASN 119 Cb 0.62 -1.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.21 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 4.04 0.32 3.94 8.20 0.00 -1.26 -5.03 105.19 115.41 1j4e n GLY 120 Ca 0.50 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.05 3.06 0.23 1.61 2.02 -1.26 -4.99 118.70 115.32 1j4e s GLU 121 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1j4e s GLU 121 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1j4e s GLU 121 CO 0.00 -0.38 0.12 0.95 0.02 0.00 0.00 175.26 175.97 1j4e s THR 122 N -2.69 0.21 0.34 3.63 -4.23 -1.26 -1.74 115.64 109.89 1j4e s THR 122 Ca 0.50 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1j4e s THR 122 Cb -0.10 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1j4e s THR 122 CO 0.40 0.00 0.21 0.28 -0.54 0.00 0.00 174.62 174.97 1j4e s THR 123 N -3.99 0.21 0.09 3.99 -1.32 -0.59 -4.76 115.64 109.26 1j4e s THR 123 Ca 0.39 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.92 1j4e s THR 123 Cb 0.07 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 1j4e s THR 123 CO 0.13 0.00 -0.14 0.28 -2.21 0.00 0.00 174.62 172.68 1j4e s THR 124 N -3.46 1.18 0.41 5.08 -1.32 -1.26 -0.38 115.64 115.90 1j4e s THR 124 Ca 0.35 -1.45 0.08 0.00 -1.21 0.00 0.00 61.69 59.45 1j4e s THR 124 Cb 0.03 -1.24 -0.03 0.00 -1.51 0.00 0.00 72.50 69.75 1j4e s THR 124 CO 0.21 -0.30 0.31 0.00 -2.21 0.00 0.00 174.62 172.64 1j4e s GLN 125 N -2.08 2.43 0.00 7.08 -2.07 -0.76 -4.91 119.66 119.34 1j4e s GLN 125 Ca 0.02 -1.64 0.00 0.00 -1.82 0.00 0.00 55.36 51.92 1j4e s GLN 125 Cb -0.08 -2.24 0.00 0.00 -1.09 0.00 0.00 33.01 29.60 1j4e s GLN 125 CO 0.02 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 1j4e n GLY 126 N -1.44 -0.76 0.13 2.60 0.00 -1.26 -0.22 105.19 104.24 1j4e n GLY 126 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -9.47 0.99 3.38 -1.91 -3.41 115.31 104.89 1j4e h LEU 127 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 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 0.66 1.01 0.47 0.09 0.00 0.00 178.44 180.67 1j4e n ASP 128 N -3.67 3.66 -1.64 -0.43 8.00 -1.26 -1.40 116.55 119.81 1j4e n ASP 128 Ca -0.01 1.02 -0.19 0.00 0.71 0.00 0.00 54.79 56.32 1j4e n ASP 128 Cb 0.67 -1.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.21 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 4.01 1.55 0.29 0.44 0.00 -1.26 -4.85 105.19 105.38 1j4e n GLY 129 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 0.66 0.27 0.99 5.85 -1.46 -2.33 115.31 119.28 1j4e h LEU 130 Ca -0.39 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1j4e h LEU 130 Cb 1.24 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1j4e h LEU 130 CO 0.56 0.65 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.91 1j4e h SER 131 N 0.69 -0.30 0.16 1.25 0.87 -1.89 0.79 113.55 115.13 1j4e h SER 131 Ca 0.16 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1j4e h SER 131 Cb 0.26 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1j4e h SER 131 CO -0.00 -0.17 -0.17 1.05 -0.53 0.00 0.00 176.83 177.01 1j4e h GLU 132 N -0.41 0.01 -0.29 2.24 9.09 -1.95 -1.42 114.58 121.85 1j4e h GLU 132 Ca -0.04 -0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 1j4e h GLU 132 Cb 0.31 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1j4e h GLU 132 CO 0.06 0.17 -0.09 0.00 0.05 0.00 0.00 179.01 179.20 1j4e h ARG 133 N 0.01 0.57 -0.55 1.06 3.08 -0.88 -2.22 114.38 115.45 1j4e h ARG 133 Ca -0.00 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 1j4e h ARG 133 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1j4e h ARG 133 CO 0.02 0.79 0.07 0.00 -1.07 0.00 0.00 179.97 179.78 1j4e h ALA 135 N 0.99 1.24 -0.19 0.00 0.00 -1.18 0.27 119.26 120.39 1j4e h ALA 135 Ca 0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1j4e h ALA 135 Cb 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j4e h ALA 135 CO 0.01 0.28 -0.21 0.37 0.00 0.00 0.00 179.25 179.70 1j4e h GLN 136 N 0.98 0.48 -0.40 0.00 5.75 -1.09 -2.58 115.11 118.25 1j4e h GLN 136 Ca 0.40 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1j4e h GLN 136 Cb 0.22 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1j4e h GLN 136 CO -0.19 0.84 0.16 1.88 -2.65 0.00 0.00 178.83 178.87 1j4e h TYR 137 N 0.14 0.55 0.10 3.99 0.05 -0.35 -1.15 116.97 120.31 1j4e h TYR 137 Ca 0.03 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1j4e h TYR 137 Cb 0.76 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1j4e h TYR 137 CO 0.08 0.44 -0.05 -0.22 -1.05 0.00 0.00 178.16 177.36 1j4e h LYS 138 N 0.56 -0.13 -0.62 4.88 1.63 -0.40 -0.88 116.57 121.62 1j4e h LYS 138 Ca 0.14 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 1j4e h LYS 138 Cb 0.11 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 1j4e h LYS 138 CO -0.02 0.02 0.41 0.87 -3.45 0.00 0.00 179.45 177.28 1j4e h LYS 139 N -0.26 0.56 -0.80 1.90 1.57 -1.01 -2.01 116.57 116.52 1j4e h LYS 139 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1j4e h LYS 139 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1j4e h LYS 139 CO 0.02 0.37 0.02 -0.25 -0.57 0.00 0.00 179.45 179.05 1j4e n ASP 140 N -4.48 3.45 0.00 0.86 8.00 -0.48 -4.91 116.55 118.99 1j4e n ASP 140 Ca 0.09 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1j4e n ASP 140 Cb 0.26 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 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 0.28 2.78 3.77 0.44 0.00 -0.75 -4.92 105.19 106.79 1j4e n GLY 141 Ca 0.15 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 -2.62 3.21 0.00 4.61 0.00 -0.37 -4.39 121.76 122.20 1j4e s ALA 142 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1j4e s ALA 142 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1j4e s ALA 142 CO 0.00 -0.04 0.01 -0.25 0.00 0.00 0.00 175.76 175.48 1j4e n ASP 143 N 0.53 0.03 -3.82 0.00 8.00 0.03 -4.18 116.55 117.14 1j4e n ASP 143 Ca 0.02 -0.41 -0.10 0.00 0.71 0.00 0.00 54.79 55.01 1j4e n ASP 143 Cb 0.49 0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 42.26 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 -0.75 0.06 0.37 1.24 -0.12 -1.16 -1.06 117.98 116.57 1j4e s PHE 144 Ca 0.00 -0.41 0.03 0.00 -0.05 0.00 0.00 56.93 56.51 1j4e s PHE 144 Cb 0.00 -0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1j4e s PHE 144 CO 0.00 -0.53 0.10 0.00 -0.05 0.00 0.00 175.22 174.74 1j4e s ALA 145 N -3.45 2.66 -0.08 1.99 0.00 0.49 -1.32 121.76 122.06 1j4e s ALA 145 Ca 0.02 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.40 1j4e s ALA 145 Cb 0.03 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1j4e s ALA 145 CO -0.09 -0.34 0.19 0.21 0.00 0.00 0.00 175.76 175.73 1j4e s LYS 146 N -3.80 0.18 -0.06 0.00 2.36 -0.97 -1.37 119.74 116.07 1j4e s LYS 146 Ca 0.29 0.35 -0.02 0.00 -2.55 0.00 0.00 55.97 54.04 1j4e s LYS 146 Cb 0.05 -0.03 0.03 0.00 -1.05 0.00 0.00 37.83 36.83 1j4e s LYS 146 CO 0.15 -0.10 0.02 -0.46 1.55 0.00 0.00 175.35 176.51 1j4e s TRP 147 N 0.66 0.48 -0.20 4.03 -0.11 -1.22 -2.30 118.94 120.28 1j4e s TRP 147 Ca -0.05 -0.05 -0.09 0.00 1.22 0.00 0.00 56.10 57.13 1j4e s TRP 147 Cb -0.06 -0.71 -0.05 0.00 -1.50 0.00 0.00 33.47 31.15 1j4e s TRP 147 CO -0.04 -0.29 0.11 0.50 -4.62 0.00 0.00 176.95 172.62 1j4e s ARG 148 N 2.03 4.12 0.04 5.86 3.52 -1.26 -3.08 118.95 130.18 1j4e s ARG 148 Ca 0.05 -0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.44 1j4e s ARG 148 Cb -0.12 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1j4e s ARG 148 CO -0.05 0.27 -0.11 0.00 -0.81 0.00 0.00 175.30 174.61 1j4e s VAL 150 N -1.02 1.41 0.06 0.00 1.01 -1.26 -2.23 120.40 118.37 1j4e s VAL 150 Ca 0.17 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1j4e s VAL 150 Cb -0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1j4e s VAL 150 CO 0.08 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.62 1j4e s LEU 151 N 0.73 2.20 -0.05 3.92 2.01 -0.54 -4.42 118.68 122.53 1j4e s LEU 151 Ca -0.12 -0.57 0.05 0.00 0.01 0.00 0.00 54.13 53.49 1j4e s LEU 151 Cb -0.16 -1.00 -0.00 0.00 0.01 0.00 0.00 46.19 45.03 1j4e s LEU 151 CO 0.03 0.15 -0.18 -1.59 1.01 0.00 0.00 176.35 175.77 1j4e s LYS 152 N -1.35 1.91 -0.06 1.70 -2.85 -1.26 -1.07 119.74 116.76 1j4e s LYS 152 Ca 0.08 -0.66 -0.28 0.00 -1.00 0.00 0.00 55.97 54.11 1j4e s LYS 152 Cb -0.09 -1.65 -0.02 0.00 -2.06 0.00 0.00 37.83 34.00 1j4e s LYS 152 CO 0.02 0.27 0.92 0.42 0.10 0.00 0.00 175.35 177.08 1j4e s ILE 153 N -0.00 4.88 0.00 3.79 1.01 -1.26 -3.21 121.20 126.41 1j4e s ILE 153 Ca -0.04 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1j4e s ILE 153 Cb -0.12 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1j4e s ILE 153 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1j4e n GLY 154 N 3.05 2.75 0.45 6.18 0.00 -0.68 -4.73 105.19 112.21 1j4e n GLY 154 Ca 0.05 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.59 -0.10 1.61 -0.00 -2.02 -3.23 114.58 110.26 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 0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 28.86 1j4e h GLU 155 CO 0.00 -0.39 -0.18 0.72 -0.00 0.00 0.00 179.01 179.16 1j4e n HIS 156 N -5.45 0.34 -4.16 2.06 8.25 -1.26 -5.02 115.22 109.98 1j4e n HIS 156 Ca -0.06 -1.26 -0.17 0.00 -0.26 0.00 0.00 57.72 55.96 1j4e n HIS 156 Cb 0.38 -0.27 -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 -3.06 0.96 0.26 1.59 -4.23 -1.22 -3.55 115.64 106.39 1j4e s THR 157 Ca 0.38 -1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 1j4e s THR 157 Cb 0.34 -0.94 -0.09 0.00 1.34 0.00 0.00 72.50 73.15 1j4e s THR 157 CO -0.00 -0.23 1.21 -2.84 -0.54 0.00 0.00 174.62 172.21 1j4e s PRO 158 N -1.61 4.49 0.71 3.99 0.02 -1.20 -1.69 135.00 139.71 1j4e s PRO 158 Ca -0.04 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 1j4e s PRO 158 Cb -0.10 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.27 1j4e s PRO 158 CO 0.02 -0.03 1.09 -1.54 -0.33 0.00 0.00 177.00 176.21 1j4e s SER 159 N -0.37 5.43 0.18 2.53 1.04 -1.23 -4.86 113.70 116.42 1j4e s SER 159 Ca 0.49 1.11 -0.13 0.00 0.48 0.00 0.00 55.95 57.91 1j4e s SER 159 Cb -0.35 -1.91 0.16 0.00 0.10 0.00 0.00 66.02 64.03 1j4e s SER 159 CO 0.43 -1.35 1.76 0.00 0.98 0.00 0.00 173.24 175.06 1j4e h ALA 160 N -0.65 0.62 -0.26 5.32 0.00 -2.00 -1.37 119.26 120.92 1j4e h ALA 160 Ca -0.45 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1j4e h ALA 160 Cb 1.26 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1j4e h ALA 160 CO 0.64 -0.18 -0.03 1.25 0.00 0.00 0.00 179.25 180.93 1j4e h LEU 161 N 0.39 -0.16 -0.41 0.00 6.46 -1.99 0.61 115.31 120.21 1j4e h LEU 161 Ca 0.23 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.11 1j4e h LEU 161 Cb 0.22 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 1j4e h LEU 161 CO -0.22 -0.05 0.14 0.00 -0.62 0.00 0.00 178.44 177.69 1j4e h ALA 162 N 1.24 0.48 -0.34 1.25 0.00 -1.77 0.40 119.26 120.52 1j4e h ALA 162 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1j4e h ALA 162 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1j4e h ALA 162 CO -0.23 -0.25 0.11 0.82 0.00 0.00 0.00 179.25 179.69 1j4e h ILE 163 N 0.30 1.21 0.77 0.00 2.04 -0.78 -2.12 117.51 118.92 1j4e h ILE 163 Ca 0.19 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1j4e h ILE 163 Cb 0.19 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1j4e h ILE 163 CO -0.20 0.23 -0.37 -0.03 0.00 0.00 0.00 178.15 177.78 1j4e h MET 164 N 0.39 -0.99 -0.69 2.37 4.05 -0.45 -2.40 114.93 117.21 1j4e h MET 164 Ca 0.11 0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1j4e h MET 164 Cb 0.25 0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1j4e h MET 164 CO -0.00 -0.65 0.38 1.49 0.23 0.00 0.00 176.91 178.36 1j4e h GLU 165 N -1.09 0.94 -0.04 0.39 4.57 -0.99 -1.24 114.58 117.12 1j4e h GLU 165 Ca -0.11 -0.09 -0.18 0.00 -1.18 0.00 0.00 59.36 57.80 1j4e h GLU 165 Cb 0.80 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1j4e h GLU 165 CO 0.17 0.68 -0.75 -0.91 -1.18 0.00 0.00 179.01 177.03 1j4e h ASN 166 N 0.95 0.32 0.07 1.04 -0.26 -1.43 -1.44 115.58 114.82 1j4e h ASN 166 Ca 0.24 -0.22 -0.17 0.00 -0.56 0.00 0.00 56.30 55.59 1j4e h ASN 166 Cb 0.01 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1j4e h ASN 166 CO -0.04 0.95 -0.62 0.00 -1.06 0.00 0.00 177.43 176.66 1j4e h ALA 167 N 1.04 0.62 -0.27 -0.83 0.00 -1.18 -2.31 119.26 116.33 1j4e h ALA 167 Ca -0.03 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 1j4e h ALA 167 Cb 1.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1j4e h ALA 167 CO 0.12 0.71 -0.47 -0.97 0.00 0.00 0.00 179.25 178.64 1j4e h ASN 168 N 0.40 0.77 0.38 0.00 -1.24 -1.15 -2.54 115.58 112.20 1j4e h ASN 168 Ca -0.01 -0.38 -0.18 0.00 0.71 0.00 0.00 56.30 56.45 1j4e h ASN 168 Cb 1.19 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 1j4e h ASN 168 CO 0.12 1.11 -0.74 1.62 -1.29 0.00 0.00 177.43 178.25 1j4e h VAL 169 N 0.56 1.41 -0.39 2.57 3.04 -1.25 -2.11 116.25 120.08 1j4e h VAL 169 Ca 0.03 -2.24 -0.04 0.00 -1.01 0.00 0.00 66.70 63.44 1j4e h VAL 169 Cb 1.02 2.19 -0.02 0.00 -2.01 0.00 0.00 31.29 32.47 1j4e h VAL 169 CO 0.10 0.66 0.06 -0.07 -1.01 0.00 0.00 177.57 177.31 1j4e h LEU 170 N 0.20 0.54 -0.26 3.16 3.38 -1.33 -1.63 115.31 119.37 1j4e h LEU 170 Ca -0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1j4e h LEU 170 Cb 1.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1j4e h LEU 170 CO 0.12 0.57 -0.14 0.00 0.09 0.00 0.00 178.44 179.08 1j4e h ALA 171 N 1.51 0.37 -0.47 1.53 0.00 -1.13 -0.85 119.26 120.21 1j4e h ALA 171 Ca 0.13 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1j4e h ALA 171 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1j4e h ALA 171 CO 0.00 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.77 1j4e h ARG 172 N 0.28 0.51 -0.14 0.00 2.47 -1.09 0.50 114.38 116.91 1j4e h ARG 172 Ca 0.06 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1j4e h ARG 172 Cb 0.66 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 1j4e h ARG 172 CO 0.04 0.34 -0.02 -0.92 0.56 0.00 0.00 179.97 179.97 1j4e h TYR 173 N 0.53 -0.05 -0.47 3.04 3.20 -1.19 -0.92 116.97 121.12 1j4e h TYR 173 Ca 0.19 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1j4e h TYR 173 Cb 0.05 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1j4e h TYR 173 CO -0.08 -0.05 0.28 0.00 -1.64 0.00 0.00 178.16 176.67 1j4e h ALA 174 N 1.14 0.59 0.14 1.82 0.00 -0.68 -1.81 119.26 120.46 1j4e h ALA 174 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1j4e h ALA 174 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1j4e h ALA 174 CO -0.14 0.09 -0.22 1.03 0.00 0.00 0.00 179.25 180.01 1j4e h SER 175 N 0.62 -0.62 -0.83 0.00 0.87 -0.56 -1.73 113.55 111.29 1j4e h SER 175 Ca 0.17 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1j4e h SER 175 Cb 0.01 0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1j4e h SER 175 CO -0.03 -0.31 0.55 0.40 -0.53 0.00 0.00 176.83 176.90 1j4e h ILE 176 N -0.43 1.10 0.78 2.23 2.04 -1.05 -2.50 117.51 119.68 1j4e h ILE 176 Ca 0.02 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1j4e h ILE 176 Cb 0.44 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1j4e h ILE 176 CO -0.11 0.18 -0.38 0.00 0.00 0.00 0.00 178.15 177.85 1j4e h GLN 178 N -1.18 0.00 0.00 0.00 4.20 -1.20 0.33 115.11 117.26 1j4e h GLN 178 Ca -0.11 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1j4e h GLN 178 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1j4e h GLN 178 CO 0.18 0.00 -0.26 1.96 -0.67 0.00 0.00 178.83 180.04 1j4e h GLN 179 N 0.00 0.00 -0.34 1.46 1.08 -1.18 -3.04 115.11 113.08 1j4e h GLN 179 Ca 0.04 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.14 1j4e h GLN 179 Cb 0.50 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 1j4e h GLN 179 CO -0.00 0.26 0.01 0.09 -0.95 0.00 0.00 178.83 178.24 1j4e n ASN 180 N -3.47 3.42 -1.69 1.46 3.02 0.11 -4.95 115.26 113.16 1j4e n ASN 180 Ca -0.00 -3.32 -0.14 0.00 -0.03 0.00 0.00 54.58 51.08 1j4e n ASN 180 Cb 0.43 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.75 -0.21 3.31 7.41 0.00 -1.11 -4.78 105.19 109.06 1j4e n GLY 181 Ca 0.28 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.74 2.94 -0.13 -0.61 -1.09 -0.90 -4.84 121.20 113.82 1j4e s ILE 182 Ca 0.02 -0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 57.47 1j4e s ILE 182 Cb -0.01 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.59 1j4e s ILE 182 CO 0.03 0.50 1.23 -0.69 -1.23 0.00 0.00 174.94 174.78 1j4e s VAL 183 N 0.75 4.30 -0.09 2.92 1.01 -0.22 -2.90 120.40 126.17 1j4e s VAL 183 Ca -0.05 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 1j4e s VAL 183 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1j4e s VAL 183 CO 0.01 -0.09 0.62 -2.16 0.00 0.00 0.00 175.10 173.48 1j4e s PRO 184 N 3.05 4.40 -0.38 2.72 0.04 -1.25 -0.37 135.00 143.20 1j4e s PRO 184 Ca 0.55 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1j4e s PRO 184 Cb -0.22 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1j4e s PRO 184 CO 0.17 0.09 0.37 0.42 0.04 0.00 0.00 177.00 178.09 1j4e s ILE 185 N 0.75 5.16 -0.30 0.56 1.01 -0.47 -2.54 121.20 125.38 1j4e s ILE 185 Ca 0.33 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 1j4e s ILE 185 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1j4e s ILE 185 CO 0.15 -0.22 0.81 -0.69 0.00 0.00 0.00 174.94 174.99 1j4e s VAL 186 N 1.99 4.79 -0.43 2.92 1.01 -0.41 -3.44 120.40 126.82 1j4e s VAL 186 Ca 0.11 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1j4e s VAL 186 Cb -0.17 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.17 1j4e s VAL 186 CO 0.12 -0.23 0.17 -0.70 0.00 0.00 0.00 175.10 174.46 1j4e s GLU 187 N 2.97 1.78 -1.05 2.72 2.12 -1.18 -0.08 118.70 125.99 1j4e s GLU 187 Ca 0.33 -2.22 -0.04 0.00 0.36 0.00 0.00 54.97 53.40 1j4e s GLU 187 Cb -0.14 -3.31 0.30 0.00 0.26 0.00 0.00 34.13 31.24 1j4e s GLU 187 CO 0.12 -1.03 1.38 -0.35 -0.54 0.00 0.00 175.26 174.83 1j4e n PRO 188 N 3.75 4.21 -2.09 4.30 -0.04 -1.24 -1.30 135.00 142.59 1j4e n PRO 188 Ca 0.04 -4.56 -0.42 0.00 -0.04 0.00 0.00 63.50 58.53 1j4e n PRO 188 Cb 0.38 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 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 -2.61 4.29 -0.42 0.54 2.12 -0.95 -4.62 118.70 117.06 1j4e s GLU 189 Ca 0.32 2.17 -0.08 0.00 0.36 0.00 0.00 54.97 57.73 1j4e s GLU 189 Cb 0.04 -3.21 0.09 0.00 0.26 0.00 0.00 34.13 31.31 1j4e s GLU 189 CO 0.08 -0.48 0.26 0.42 -0.54 0.00 0.00 175.26 174.99 1j4e s ILE 190 N 1.05 4.08 0.26 -3.70 1.01 -1.26 -1.47 121.20 121.17 1j4e s ILE 190 Ca 0.66 -1.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 1j4e s ILE 190 Cb -0.39 -3.56 -0.15 0.00 0.01 0.00 0.00 42.46 38.37 1j4e s ILE 190 CO 0.31 -0.56 0.74 0.18 0.00 0.00 0.00 174.94 175.61 1j4e n LEU 191 N 4.87 0.22 0.01 2.97 4.32 -0.23 -4.87 117.00 124.28 1j4e n LEU 191 Ca -0.09 1.13 0.14 0.00 -0.02 0.00 0.00 56.01 57.17 1j4e n LEU 191 Cb 0.42 -1.12 0.60 0.00 -1.62 0.00 0.00 43.42 41.70 1j4e n LEU 191 CO 0.39 -2.27 0.95 -0.81 -1.22 0.00 0.00 177.39 174.43 1j4e n PRO 192 N 0.84 0.02 -1.59 3.23 -0.04 -1.26 -4.40 135.00 131.81 1j4e n PRO 192 Ca 0.13 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 1j4e n PRO 192 Cb 0.30 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.57 0.87 0.00 3.54 8.00 -1.26 -1.50 116.55 124.63 1j4e n ASP 193 Ca 0.07 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.54 1j4e n ASP 193 Cb 0.35 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 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 1.29 1.01 0.18 0.44 0.00 -1.26 -4.53 105.19 102.31 1j4e n GLY 194 Ca 0.10 -2.28 0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.76 1.61 5.75 -1.26 -1.91 116.55 118.53 1j4e n ASP 195 Ca 0.00 -3.07 -0.33 0.00 -0.01 0.00 0.00 54.79 51.38 1j4e n ASP 195 Cb 0.00 -0.44 0.06 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.85 2.49 0.38 2.11 -3.43 -1.26 -4.31 115.29 108.41 1j4e s HIS 196 Ca 0.33 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 56.16 1j4e s HIS 196 Cb 0.29 -3.23 0.08 0.00 -1.43 0.00 0.00 32.58 28.28 1j4e s HIS 196 CO 0.04 -1.89 0.53 -0.40 -2.00 0.00 0.00 174.74 171.01 1j4e n ASP 197 N -2.54 0.77 0.30 7.38 5.68 -1.26 -0.28 116.55 126.60 1j4e n ASP 197 Ca 0.11 -1.64 -0.18 0.00 -0.50 0.00 0.00 54.79 52.59 1j4e n ASP 197 Cb 0.52 -0.33 -0.09 0.00 -1.14 0.00 0.00 41.12 40.07 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 -1.25 -0.74 -2.12 6.46 -1.93 -2.46 115.31 113.27 1j4e h LEU 198 Ca -0.17 0.10 0.15 0.00 -0.12 0.00 0.00 57.88 57.83 1j4e h LEU 198 Cb 0.66 0.41 -0.14 0.00 -0.73 0.00 0.00 40.66 40.86 1j4e h LEU 198 CO 0.19 -0.63 -0.16 0.11 -0.62 0.00 0.00 178.44 177.33 1j4e h LYS 199 N -0.96 0.01 -0.51 1.25 6.56 -1.95 -0.00 116.57 120.96 1j4e h LYS 199 Ca -0.06 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.59 1j4e h LYS 199 Cb 0.83 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.44 1j4e h LYS 199 CO -0.04 0.01 0.21 -0.09 -2.06 0.00 0.00 179.45 177.48 1j4e h ARG 200 N 0.01 0.40 -0.38 3.15 9.65 -1.88 0.92 114.38 126.26 1j4e h ARG 200 Ca 0.36 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.19 1j4e h ARG 200 Cb 0.57 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1j4e h ARG 200 CO -0.75 0.27 0.14 0.00 2.80 0.00 0.00 179.97 182.43 1j4e h GLN 202 N 0.46 0.61 0.33 0.00 4.15 -0.40 0.54 115.11 120.81 1j4e h GLN 202 Ca 0.12 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1j4e h GLN 202 Cb 0.20 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1j4e h GLN 202 CO -0.01 0.47 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.28 1j4e h TYR 203 N 0.62 -0.42 -0.80 3.99 3.20 -0.44 -1.88 116.97 121.23 1j4e h TYR 203 Ca 0.16 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1j4e h TYR 203 Cb 0.05 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1j4e h TYR 203 CO 0.00 -0.08 0.45 0.28 -1.64 0.00 0.00 178.16 177.17 1j4e h VAL 204 N -0.80 1.24 -0.89 1.81 2.07 -1.07 -1.84 116.25 116.76 1j4e h VAL 204 Ca -0.05 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1j4e h VAL 204 Cb 0.52 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1j4e h VAL 204 CO 0.08 0.26 0.55 0.74 0.02 0.00 0.00 177.57 179.21 1j4e h THR 205 N 1.11 1.24 -0.42 2.57 2.02 -0.91 0.60 112.91 119.12 1j4e h THR 205 Ca 0.28 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1j4e h THR 205 Cb 0.02 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1j4e h THR 205 CO -0.05 0.25 0.05 -0.33 0.37 0.00 0.00 175.52 175.82 1j4e h GLU 206 N 1.22 0.71 -0.17 6.66 5.08 -0.79 -0.16 114.58 127.15 1j4e h GLU 206 Ca 0.32 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1j4e h GLU 206 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1j4e h GLU 206 CO -0.06 0.76 0.02 0.87 -1.00 0.00 0.00 179.01 179.60 1j4e h LYS 207 N 0.56 0.28 0.08 2.33 1.79 -0.83 -1.12 116.57 119.66 1j4e h LYS 207 Ca 0.13 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1j4e h LYS 207 Cb 0.40 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1j4e h LYS 207 CO 0.01 0.45 -0.04 0.28 -1.08 0.00 0.00 179.45 179.08 1j4e h VAL 208 N 0.06 0.94 -0.56 0.50 2.07 -0.86 -1.59 116.25 116.81 1j4e h VAL 208 Ca 0.05 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1j4e h VAL 208 Cb 0.31 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1j4e h VAL 208 CO 0.00 0.01 0.37 -0.07 0.02 0.00 0.00 177.57 177.91 1j4e h LEU 209 N -0.12 0.62 -0.50 2.57 4.07 -0.99 0.21 115.31 121.16 1j4e h LEU 209 Ca -0.01 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1j4e h LEU 209 Cb 0.10 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1j4e h LEU 209 CO 0.02 0.44 -0.13 0.00 -1.08 0.00 0.00 178.44 177.69 1j4e h ALA 210 N 1.66 0.70 -0.16 1.53 0.00 -0.86 -2.56 119.26 119.56 1j4e h ALA 210 Ca 0.21 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1j4e h ALA 210 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1j4e h ALA 210 CO -0.05 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 179.57 1j4e h ALA 211 N 0.90 1.29 0.74 0.00 0.00 -0.28 -2.68 119.26 119.23 1j4e h ALA 211 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j4e h ALA 211 Cb 0.69 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1j4e h ALA 211 CO 0.05 0.48 -0.35 0.28 0.00 0.00 0.00 179.25 179.70 1j4e h VAL 212 N 0.26 0.14 0.00 0.00 2.07 -0.66 -2.74 116.25 115.32 1j4e h VAL 212 Ca 0.04 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1j4e h VAL 212 Cb 0.58 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1j4e h VAL 212 CO 0.04 0.01 -0.12 1.88 0.02 0.00 0.00 177.57 179.41 1j4e h TYR 213 N -1.16 0.00 -0.30 1.57 0.05 -1.47 0.39 116.97 116.05 1j4e h TYR 213 Ca -0.10 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.51 1j4e h TYR 213 Cb 0.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 1j4e h TYR 213 CO -0.00 0.12 -0.50 -0.22 -1.05 0.00 0.00 178.16 176.51 1j4e h LYS 214 N 0.00 0.83 0.10 4.88 1.63 -1.49 -1.78 116.57 120.74 1j4e h LYS 214 Ca -0.00 -0.50 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1j4e h LYS 214 Cb 0.34 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1j4e h LYS 214 CO 0.02 1.13 -0.05 0.00 -3.45 0.00 0.00 179.45 177.10 1j4e h ALA 215 N 0.78 -0.13 -0.83 5.00 0.00 -0.94 -0.08 119.26 123.06 1j4e h ALA 215 Ca 0.03 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1j4e h ALA 215 Cb 1.09 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1j4e h ALA 215 CO 0.11 -0.48 0.57 -0.07 0.00 0.00 0.00 179.25 179.38 1j4e h LEU 216 N -0.32 0.17 0.02 0.00 4.07 -0.88 -0.09 115.31 118.27 1j4e h LEU 216 Ca -0.01 0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1j4e h LEU 216 Cb 0.27 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1j4e h LEU 216 CO 0.02 0.07 -0.64 -1.28 -1.08 0.00 0.00 178.44 175.53 1j4e h SER 217 N 0.17 0.53 -0.22 -0.43 0.87 -0.70 0.20 113.55 113.97 1j4e h SER 217 Ca 0.41 -0.78 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 1j4e h SER 217 Cb 1.35 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1j4e h SER 217 CO -0.07 1.25 0.09 0.44 -0.53 0.00 0.00 176.83 178.01 1j4e h ASP 218 N -0.13 0.36 -0.31 6.23 3.32 0.72 -1.23 116.42 125.39 1j4e h ASP 218 Ca -0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1j4e h ASP 218 Cb 1.36 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1j4e h ASP 218 CO 0.12 0.35 0.00 1.41 -1.72 0.00 0.00 179.24 179.40 1j4e n HIS 219 N -4.40 0.69 -2.99 4.55 8.25 -0.41 -4.93 115.22 115.98 1j4e n HIS 219 Ca 0.01 -0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 56.99 1j4e n HIS 219 Cb 0.14 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 0.40 -1.73 -2.93 4.41 8.25 -0.46 -4.86 115.22 118.31 1j4e n HIS 220 Ca 0.12 0.37 -0.38 0.00 -0.26 0.00 0.00 57.72 57.57 1j4e n HIS 220 Cb 0.47 -3.56 -0.06 0.00 1.12 0.00 0.00 29.99 27.96 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 -2.97 4.33 -0.73 1.59 -5.25 0.05 -4.86 121.20 113.36 1j4e s ILE 221 Ca 0.26 1.70 -0.26 0.00 -0.99 0.00 0.00 60.65 61.35 1j4e s ILE 221 Cb -0.13 -4.07 0.04 0.00 2.95 0.00 0.00 42.46 41.25 1j4e s ILE 221 CO 0.32 0.36 1.22 -0.47 -1.79 0.00 0.00 174.94 174.57 1j4e s TYR 222 N -1.35 2.36 0.36 1.37 5.04 -1.26 -4.79 117.35 119.09 1j4e s TYR 222 Ca 0.42 -0.16 0.08 0.00 -2.44 0.00 0.00 57.07 54.97 1j4e s TYR 222 Cb -0.21 -4.56 0.80 0.00 0.35 0.00 0.00 41.96 38.34 1j4e s TYR 222 CO 0.25 -1.99 1.91 -0.07 -1.34 0.00 0.00 175.55 174.31 1j4e h LEU 223 N 12.68 0.64 -2.28 6.97 4.07 -1.94 -1.50 115.31 133.95 1j4e h LEU 223 Ca -0.28 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1j4e h LEU 223 Cb 1.05 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1j4e h LEU 223 CO 1.26 0.37 0.00 -0.33 -1.08 0.00 0.00 178.44 178.66 1j4e h GLU 224 N 0.70 0.00 -0.84 1.13 3.07 -1.92 -1.85 114.58 114.88 1j4e h GLU 224 Ca 0.39 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.73 1j4e h GLU 224 Cb 0.54 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.17 1j4e h GLU 224 CO -0.16 0.00 0.40 0.41 -1.40 0.00 0.00 179.01 178.27 1j4e n GLY 225 N -0.59 5.35 3.23 -3.84 0.00 -0.56 -4.31 105.19 104.47 1j4e n GLY 225 Ca -0.01 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.04 0.25 0.04 2.61 -4.23 -0.69 -3.90 115.64 105.68 1j4e s THR 226 Ca 0.57 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1j4e s THR 226 Cb 0.47 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1j4e s THR 226 CO 0.03 -0.11 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.20 1j4e s LEU 227 N -3.19 2.38 -0.14 4.79 1.02 -1.05 -3.71 118.68 118.77 1j4e s LEU 227 Ca 0.35 -0.77 0.02 0.00 0.02 0.00 0.00 54.13 53.75 1j4e s LEU 227 Cb 0.07 0.10 0.01 0.00 0.02 0.00 0.00 46.19 46.40 1j4e s LEU 227 CO 0.10 -0.44 -0.19 -0.22 0.02 0.00 0.00 176.35 175.62 1j4e s LEU 228 N -2.25 1.98 -0.76 1.79 2.96 -0.65 -1.29 118.68 120.47 1j4e s LEU 228 Ca -0.03 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1j4e s LEU 228 Cb -0.01 -1.34 0.19 0.00 0.50 0.00 0.00 46.19 45.53 1j4e s LEU 228 CO -0.05 0.04 0.61 -0.75 -1.32 0.00 0.00 176.35 174.88 1j4e s LYS 229 N 0.98 2.95 0.51 1.98 2.20 0.88 -0.53 119.74 128.72 1j4e s LYS 229 Ca -0.04 -2.85 0.08 0.00 -0.36 0.00 0.00 55.97 52.80 1j4e s LYS 229 Cb -0.15 -3.88 0.05 0.00 -1.51 0.00 0.00 37.83 32.35 1j4e s LYS 229 CO -0.04 -1.22 0.71 -1.25 -0.36 0.00 0.00 175.35 173.18 1j4e s PRO 230 N -0.60 2.51 0.35 4.03 0.04 -1.26 -3.64 135.00 136.43 1j4e s PRO 230 Ca 0.21 -1.38 -0.10 0.00 0.04 0.00 0.00 61.00 59.77 1j4e s PRO 230 Cb -0.14 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 1j4e s PRO 230 CO -0.08 -0.63 0.70 0.54 0.04 0.00 0.00 177.00 177.57 1j4e s ASN 231 N -4.52 6.57 0.67 6.66 4.22 -1.26 -1.89 114.94 125.39 1j4e s ASN 231 Ca 0.59 1.06 -0.11 0.00 -2.14 0.00 0.00 52.86 52.26 1j4e s ASN 231 Cb -0.08 -2.29 -0.01 0.00 1.28 0.00 0.00 41.25 40.16 1j4e s ASN 231 CO 0.37 -0.29 1.06 -0.04 -2.04 0.00 0.00 177.10 176.16 1j4e s MET 232 N -3.50 3.13 -0.37 3.55 -1.94 -1.26 -4.95 119.30 113.97 1j4e s MET 232 Ca 0.50 0.67 -0.24 0.00 -1.71 0.00 0.00 55.69 54.91 1j4e s MET 232 Cb -0.10 -2.03 0.01 0.00 2.01 0.00 0.00 34.83 34.71 1j4e s MET 232 CO 0.27 -0.89 0.83 0.08 -0.01 0.00 0.00 175.02 175.30 1j4e s VAL 233 N -3.22 4.69 0.09 -6.03 1.01 -1.26 -5.00 120.40 110.68 1j4e s VAL 233 Ca 0.57 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 1j4e s VAL 233 Cb -0.12 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1j4e s VAL 233 CO 0.53 -0.47 0.11 0.42 0.00 0.00 0.00 175.10 175.69 1j4e s THR 234 N 3.22 0.15 0.79 3.92 -4.23 -1.26 -4.59 115.64 113.64 1j4e s THR 234 Ca 0.33 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1j4e s THR 234 Cb -0.13 -1.60 0.07 0.00 1.34 0.00 0.00 72.50 72.18 1j4e s THR 234 CO 0.18 -0.68 1.09 -2.16 -0.54 0.00 0.00 174.62 172.50 1j4e s PRO 235 N -3.93 2.12 0.65 3.99 0.04 -1.26 -4.68 135.00 131.93 1j4e s PRO 235 Ca 0.11 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.01 1j4e s PRO 235 Cb 0.06 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1j4e s PRO 235 CO -0.07 -1.70 1.23 0.20 0.04 0.00 0.00 177.00 176.70 1j4e s GLY 236 N -3.48 2.63 0.43 0.56 0.00 0.62 -4.87 107.32 103.21 1j4e s GLY 236 Ca 0.61 1.01 0.21 0.00 0.00 0.00 0.00 44.72 46.56 1j4e s GLY 236 CO 0.56 1.42 1.82 0.45 0.00 0.00 0.00 173.10 177.34 1j4e h HIS 237 N 0.40 0.50 -0.57 1.90 3.86 -1.23 0.12 115.15 120.13 1j4e h HIS 237 Ca -0.50 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1j4e h HIS 237 Cb 1.31 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1j4e h HIS 237 CO 0.45 0.08 0.00 0.00 0.86 0.00 0.00 177.93 179.33 1j4e n ALA 238 N -2.54 3.57 -1.84 2.45 0.00 -0.80 -4.98 120.51 116.36 1j4e n ALA 238 Ca 0.23 -1.87 -0.41 0.00 0.00 0.00 0.00 53.44 51.39 1j4e n ALA 238 Cb 0.85 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.50 3.51 -0.03 0.00 0.00 0.42 -4.61 121.76 118.55 1j4e s ALA 239 Ca 0.52 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 53.44 1j4e s ALA 239 Cb 0.38 -3.48 -0.19 0.00 0.00 0.00 0.00 23.12 19.84 1j4e s ALA 239 CO 0.18 -0.59 1.15 1.15 0.00 0.00 0.00 175.76 177.65 1j4e h THR 240 N 3.28 1.16 -3.90 0.00 2.02 -1.89 -3.46 112.91 110.12 1j4e h THR 240 Ca -0.47 -1.10 -0.54 0.00 0.77 0.00 0.00 66.41 65.07 1j4e h THR 240 Cb 1.22 1.85 0.19 0.00 -1.74 0.00 0.00 68.15 69.67 1j4e h THR 240 CO 0.70 0.26 0.02 1.67 0.37 0.00 0.00 175.52 178.54 1j4e n GLN 241 N -4.91 -0.01 -4.59 6.66 7.27 -1.26 -5.04 117.38 115.50 1j4e n GLN 241 Ca -0.08 0.06 -0.29 0.00 0.07 0.00 0.00 57.00 56.76 1j4e n GLN 241 Cb 0.26 -2.22 -0.14 0.00 2.41 0.00 0.00 30.24 30.56 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 -3.90 1.52 0.06 3.69 3.01 -1.26 -5.06 119.74 117.80 1j4e s LYS 242 Ca 0.68 -1.22 0.02 0.00 -1.01 0.00 0.00 55.97 54.44 1j4e s LYS 242 Cb -0.27 -1.86 -0.03 0.00 -1.01 0.00 0.00 37.83 34.66 1j4e s LYS 242 CO 0.57 0.46 -0.07 0.71 0.51 0.00 0.00 175.35 177.52 1j4e s TYR 243 N -0.95 0.72 0.63 3.18 1.51 -1.26 -5.14 117.35 116.05 1j4e s TYR 243 Ca 0.12 -0.63 -0.08 0.00 -1.01 0.00 0.00 57.07 55.47 1j4e s TYR 243 Cb -0.10 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 1j4e s TYR 243 CO 0.04 -0.11 0.97 -1.54 -1.11 0.00 0.00 175.55 173.80 1j4e s SER 244 N -2.03 5.49 0.27 2.29 1.04 -1.26 -4.94 113.70 114.56 1j4e s SER 244 Ca -0.03 0.82 -0.02 0.00 0.48 0.00 0.00 55.95 57.19 1j4e s SER 244 Cb -0.05 -1.73 0.38 0.00 0.10 0.00 0.00 66.02 64.71 1j4e s SER 244 CO -0.01 -1.19 1.84 0.45 0.98 0.00 0.00 173.24 175.31 1j4e h HIS 245 N -0.35 0.94 -0.76 5.02 3.86 -1.99 -2.21 115.15 119.65 1j4e h HIS 245 Ca -0.45 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 58.71 1j4e h HIS 245 Cb 1.26 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.41 1j4e h HIS 245 CO 0.47 0.73 0.49 0.93 0.86 0.00 0.00 177.93 181.42 1j4e h GLU 246 N 0.90 0.95 -0.29 2.45 3.07 -1.93 0.25 114.58 119.99 1j4e h GLU 246 Ca 0.21 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1j4e h GLU 246 Cb 0.21 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1j4e h GLU 246 CO -0.01 0.63 0.09 0.93 -1.40 0.00 0.00 179.01 179.25 1j4e h GLU 247 N 0.98 0.44 0.00 2.33 5.08 -1.79 0.55 114.58 122.17 1j4e h GLU 247 Ca 0.29 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1j4e h GLU 247 Cb -0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1j4e h GLU 247 CO -0.08 0.50 -0.30 -0.84 -1.00 0.00 0.00 179.01 177.28 1j4e h ILE 248 N 0.30 0.69 -0.22 3.13 -0.00 -1.23 -0.29 117.51 119.89 1j4e h ILE 248 Ca 0.09 -1.38 -0.19 0.00 -0.00 0.00 0.00 64.86 63.39 1j4e h ILE 248 Cb 0.24 1.90 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 1j4e h ILE 248 CO -0.00 0.30 -0.61 0.00 -0.00 0.00 0.00 178.15 177.83 1j4e h ALA 249 N 1.70 0.52 -0.16 0.16 0.00 -0.59 -1.03 119.26 119.86 1j4e h ALA 249 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1j4e h ALA 249 Cb 0.88 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1j4e h ALA 249 CO 0.04 0.69 -0.23 1.98 0.00 0.00 0.00 179.25 181.73 1j4e h MET 250 N 0.54 0.44 -0.49 0.00 1.85 -0.53 -1.12 114.93 115.61 1j4e h MET 250 Ca -0.00 -0.26 -0.04 0.00 -0.61 0.00 0.00 59.70 58.78 1j4e h MET 250 Cb 1.20 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 1j4e h MET 250 CO 0.12 0.85 0.12 0.00 -0.40 0.00 0.00 176.91 177.60 1j4e h ALA 251 N 0.59 1.29 0.10 0.39 0.00 -1.05 -0.57 119.26 120.02 1j4e h ALA 251 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j4e h ALA 251 Cb 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j4e h ALA 251 CO 0.05 0.50 -0.05 1.15 0.00 0.00 0.00 179.25 180.90 1j4e h THR 252 N 0.72 1.12 -0.15 0.00 2.02 -1.11 -1.60 112.91 113.91 1j4e h THR 252 Ca 0.16 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 1j4e h THR 252 Cb 0.26 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1j4e h THR 252 CO -0.00 0.25 -0.21 0.58 0.37 0.00 0.00 175.52 176.50 1j4e h VAL 253 N -0.65 1.22 0.12 3.16 2.07 -1.13 -2.14 116.25 118.91 1j4e h VAL 253 Ca -0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1j4e h VAL 253 Cb 0.51 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1j4e h VAL 253 CO 0.02 0.32 -0.06 0.74 0.02 0.00 0.00 177.57 178.61 1j4e h THR 254 N 0.24 1.03 -0.92 2.57 2.02 -1.11 0.01 112.91 116.75 1j4e h THR 254 Ca 0.04 -0.65 0.13 0.00 0.77 0.00 0.00 66.41 66.70 1j4e h THR 254 Cb 0.52 1.44 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 1j4e h THR 254 CO 0.03 0.16 0.59 0.00 0.37 0.00 0.00 175.52 176.67 1j4e h ALA 255 N 0.36 1.72 -0.10 6.16 0.00 -1.09 -1.63 119.26 124.67 1j4e h ALA 255 Ca -0.02 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1j4e h ALA 255 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j4e h ALA 255 CO 0.03 0.05 -0.78 -0.07 0.00 0.00 0.00 179.25 178.48 1j4e h LEU 256 N 0.80 0.69 -2.42 0.00 3.38 -1.22 -3.20 115.31 113.33 1j4e h LEU 256 Ca 0.46 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j4e h LEU 256 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1j4e h LEU 256 CO -0.22 1.23 0.00 0.03 0.09 0.00 0.00 178.44 179.57 1j4e h ARG 257 N 0.38 0.00 -0.28 1.13 3.08 0.01 -1.76 114.38 116.94 1j4e h ARG 257 Ca -0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1j4e h ARG 257 Cb 1.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.39 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 -3.03 2.43 0.00 0.04 1.85 -1.10 -4.69 116.66 112.16 1j4e n ARG 258 Ca -0.02 -2.94 0.00 0.00 -1.00 0.00 0.00 57.85 53.89 1j4e n ARG 258 Cb 0.14 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 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 -0.79 0.00 -3.03 8.89 -2.24 -1.07 -4.97 114.28 111.07 1j4e n THR 259 Ca 0.25 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.60 1j4e n THR 259 Cb 0.93 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 4.68 0.34 2.28 1.01 -0.68 -4.77 120.40 122.26 1j4e s VAL 260 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 1j4e s VAL 260 Cb 0.00 -4.40 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 1j4e s VAL 260 CO 0.00 -0.94 1.15 -2.65 0.00 0.00 0.00 175.10 172.66 1j4e n PRO 261 N 6.68 1.73 0.12 2.72 -0.02 -1.26 -4.83 135.00 140.14 1j4e n PRO 261 Ca -0.04 0.61 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1j4e n PRO 261 Cb 0.46 -2.12 0.39 0.00 -0.02 0.00 0.00 33.50 32.22 1j4e n PRO 261 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1j4e n PRO 262 N 0.53 0.09 0.25 0.52 -0.04 -1.26 -1.82 135.00 133.27 1j4e n PRO 262 Ca 0.07 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 1j4e n PRO 262 Cb 0.35 -1.85 0.54 0.00 -0.04 0.00 0.00 33.50 32.50 1j4e n PRO 262 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j4e h ALA 263 N 1.89 1.00 -2.18 0.55 0.00 -1.91 -3.43 119.26 115.18 1j4e h ALA 263 Ca 0.00 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1j4e h ALA 263 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j4e h ALA 263 CO 0.00 0.11 1.22 0.08 0.00 0.00 0.00 179.25 180.66 1j4e s VAL 264 N -3.60 3.34 0.45 0.00 1.01 -0.76 -3.53 120.40 117.31 1j4e s VAL 264 Ca 0.02 0.39 0.19 0.00 0.00 0.00 0.00 61.98 62.58 1j4e s VAL 264 Cb 0.09 -3.31 0.38 0.00 0.00 0.00 0.00 36.38 33.54 1j4e s VAL 264 CO 0.59 -0.10 1.91 0.74 0.00 0.00 0.00 175.10 178.25 1j4e h THR 265 N 6.03 0.73 -1.25 3.92 2.02 -1.67 -3.45 112.91 119.24 1j4e h THR 265 Ca -0.41 -0.10 0.30 0.00 0.77 0.00 0.00 66.41 66.97 1j4e h THR 265 Cb 1.20 0.40 -0.19 0.00 -1.74 0.00 0.00 68.15 67.82 1j4e h THR 265 CO 0.96 0.05 0.90 -0.83 0.37 0.00 0.00 175.52 176.98 1j4e s GLY 266 N -3.86 -0.27 -0.19 2.16 0.00 -1.26 -3.54 107.32 100.36 1j4e s GLY 266 Ca -0.07 1.65 -0.01 0.00 0.00 0.00 0.00 44.72 46.29 1j4e s GLY 266 CO 0.77 0.53 -0.13 0.14 0.00 0.00 0.00 173.10 174.41 1j4e s VAL 267 N -2.22 2.73 -0.47 1.40 1.01 0.38 -1.63 120.40 121.59 1j4e s VAL 267 Ca 0.11 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1j4e s VAL 267 Cb -0.00 -2.19 0.13 0.00 0.00 0.00 0.00 36.38 34.31 1j4e s VAL 267 CO -0.04 0.49 0.29 0.42 0.00 0.00 0.00 175.10 176.26 1j4e s THR 268 N 1.24 3.51 0.24 3.92 -4.23 0.31 -1.17 115.64 119.47 1j4e s THR 268 Ca 0.03 -2.27 -0.30 0.00 -1.18 0.00 0.00 61.69 57.97 1j4e s THR 268 Cb -0.14 -3.37 -0.11 0.00 1.34 0.00 0.00 72.50 70.23 1j4e s THR 268 CO -0.06 -0.75 1.55 -0.36 -0.54 0.00 0.00 174.62 174.46 1j4e s PHE 269 N 0.84 2.92 0.10 3.99 0.08 -0.61 -4.02 117.98 121.29 1j4e s PHE 269 Ca 0.10 0.79 -0.18 0.00 0.12 0.00 0.00 56.93 57.77 1j4e s PHE 269 Cb -0.22 -3.96 -0.07 0.00 -0.57 0.00 0.00 43.02 38.20 1j4e s PHE 269 CO -0.04 -3.31 0.57 -0.48 -0.10 0.00 0.00 175.22 171.87 1j4e s LEU 270 N 0.04 4.47 0.21 -0.37 0.05 -0.79 -1.83 118.68 120.45 1j4e s LEU 270 Ca 0.64 1.22 0.25 0.00 0.05 0.00 0.00 54.13 56.29 1j4e s LEU 270 Cb -0.45 -3.03 0.61 0.00 -2.05 0.00 0.00 46.19 41.28 1j4e s LEU 270 CO 0.41 0.22 1.61 0.77 -0.55 0.00 0.00 176.35 178.82 1j4e h SER 271 N 4.22 0.00 -4.17 1.48 4.64 -1.90 -3.39 113.55 114.43 1j4e h SER 271 Ca -0.49 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.73 1j4e h SER 271 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1j4e h SER 271 CO 0.64 0.03 -0.09 0.61 -0.87 0.00 0.00 176.83 177.15 1j4e n GLY 272 N 1.29 -0.06 1.13 -0.77 0.00 -1.26 -0.92 105.19 104.61 1j4e n GLY 272 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.39 3.21 3.73 -0.02 0.00 -1.26 -4.82 105.19 105.65 1j4e n GLY 273 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.50 2.09 0.71 1.61 -0.21 -0.09 -5.00 119.66 118.27 1j4e s GLN 274 Ca 0.00 1.48 -0.11 0.00 0.02 0.00 0.00 55.36 56.74 1j4e s GLN 274 Cb 0.00 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 32.17 1j4e s GLN 274 CO 0.00 -1.81 1.10 -1.54 -2.12 0.00 0.00 175.29 170.91 1j4e s SER 275 N -2.64 5.37 0.18 5.90 1.04 -1.26 -4.70 113.70 117.59 1j4e s SER 275 Ca 0.68 1.14 -0.13 0.00 0.48 0.00 0.00 55.95 58.11 1j4e s SER 275 Cb -0.23 -1.92 0.16 0.00 0.10 0.00 0.00 66.02 64.13 1j4e s SER 275 CO 0.50 -1.39 1.74 -0.33 0.98 0.00 0.00 173.24 174.74 1j4e h GLU 276 N -0.69 0.31 -0.44 4.02 5.08 -1.88 -0.24 114.58 120.74 1j4e h GLU 276 Ca -0.45 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1j4e h GLU 276 Cb 1.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1j4e h GLU 276 CO 0.64 0.21 -0.05 1.49 -1.00 0.00 0.00 179.01 180.29 1j4e h GLU 277 N 0.32 0.81 0.32 2.33 4.57 -1.93 -2.71 114.58 118.30 1j4e h GLU 277 Ca 0.23 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1j4e h GLU 277 Cb 0.25 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1j4e h GLU 277 CO -0.25 0.90 -0.19 1.49 -1.18 0.00 0.00 179.01 179.78 1j4e h GLU 278 N 0.64 -0.46 -0.82 1.92 4.81 -1.77 -0.52 114.58 118.39 1j4e h GLU 278 Ca 0.12 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.51 1j4e h GLU 278 Cb 0.57 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.99 1j4e h GLU 278 CO 0.03 -0.31 0.53 0.00 -0.73 0.00 0.00 179.01 178.54 1j4e h ALA 279 N 0.19 1.91 -0.13 2.92 0.00 -1.07 -0.47 119.26 122.61 1j4e h ALA 279 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1j4e h ALA 279 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j4e h ALA 279 CO 0.04 -0.12 -0.28 0.77 0.00 0.00 0.00 179.25 179.66 1j4e h SER 280 N 0.60 0.47 -0.56 0.00 0.02 -1.11 -2.02 113.55 110.95 1j4e h SER 280 Ca 0.40 -0.57 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1j4e h SER 280 Cb 0.69 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1j4e h SER 280 CO -0.16 0.95 0.26 0.40 -1.14 0.00 0.00 176.83 177.15 1j4e h ILE 281 N 0.00 1.21 -0.29 3.27 2.04 -0.31 -1.53 117.51 121.90 1j4e h ILE 281 Ca 0.00 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1j4e h ILE 281 Cb 0.88 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1j4e h ILE 281 CO 0.06 0.24 0.03 0.78 0.00 0.00 0.00 178.15 179.26 1j4e h ASN 282 N 0.76 0.49 -0.94 1.72 2.35 -1.17 0.28 115.58 119.06 1j4e h ASN 282 Ca 0.19 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1j4e h ASN 282 Cb 0.13 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1j4e h ASN 282 CO -0.02 0.65 0.61 0.25 -1.65 0.00 0.00 177.43 177.27 1j4e h LEU 283 N 0.31 0.96 -0.42 1.61 6.46 -1.24 0.14 115.31 123.12 1j4e h LEU 283 Ca 0.09 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1j4e h LEU 283 Cb 0.38 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1j4e h LEU 283 CO 0.01 0.62 0.04 -1.13 -0.62 0.00 0.00 178.44 177.35 1j4e h ASN 284 N 1.09 0.70 -0.66 1.25 -1.24 -0.90 -2.45 115.58 113.39 1j4e h ASN 284 Ca 0.41 -0.28 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 1j4e h ASN 284 Cb 0.18 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1j4e h ASN 284 CO -0.15 0.81 0.25 0.00 -1.29 0.00 0.00 177.43 177.05 1j4e h ALA 285 N 0.92 1.16 -0.77 1.57 0.00 0.37 -2.63 119.26 119.88 1j4e h ALA 285 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j4e h ALA 285 Cb 0.43 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1j4e h ALA 285 CO 0.01 0.60 0.48 0.82 0.00 0.00 0.00 179.25 181.16 1j4e h ILE 286 N 0.99 1.21 0.00 0.00 2.04 -0.57 -0.98 117.51 120.21 1j4e h ILE 286 Ca 0.23 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1j4e h ILE 286 Cb 0.22 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1j4e h ILE 286 CO -0.02 0.22 0.00 0.59 0.00 0.00 0.00 178.15 178.94 1j4e n ASN 287 N -4.50 0.00 -0.55 1.72 3.02 -0.94 -2.55 115.26 111.46 1j4e n ASN 287 Ca 0.07 -0.19 0.07 0.00 -0.03 0.00 0.00 54.58 54.50 1j4e n ASN 287 Cb 0.05 -0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.24 1.08 -1.79 3.52 4.76 -0.49 -4.75 118.16 119.26 1j4e n LYS 288 Ca 0.13 -1.29 -0.42 0.00 -2.87 0.00 0.00 58.31 53.86 1j4e n LYS 288 Cb 0.19 -1.27 -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 -1.24 3.78 -0.00 7.82 0.00 -0.54 -4.84 121.76 126.74 1j4e s ALA 289 Ca 0.16 1.41 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 1j4e s ALA 289 Cb 0.12 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1j4e s ALA 289 CO 0.20 -1.10 1.30 -0.35 0.00 0.00 0.00 175.76 175.81 1j4e n PRO 290 N 5.18 0.51 -3.91 0.00 -0.04 -1.26 -4.72 135.00 130.77 1j4e n PRO 290 Ca 0.17 -0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.27 1j4e n PRO 290 Cb 0.38 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.00 1.69 -0.08 1.53 1.43 -1.26 -5.12 118.68 116.88 1j4e s LEU 291 Ca 0.17 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1j4e s LEU 291 Cb 0.08 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.95 1j4e s LEU 291 CO -0.00 -0.51 1.35 -0.22 0.23 0.00 0.00 176.35 177.20 1j4e s LEU 292 N -2.08 4.26 -0.38 1.79 0.20 -1.26 -4.99 118.68 116.22 1j4e s LEU 292 Ca -0.05 1.92 -0.08 0.00 0.69 0.00 0.00 54.13 56.61 1j4e s LEU 292 Cb -0.01 -3.55 0.06 0.00 -0.43 0.00 0.00 46.19 42.26 1j4e s LEU 292 CO -0.04 -0.74 0.19 -0.54 -0.29 0.00 0.00 176.35 174.93 1j4e s LYS 293 N 2.98 2.60 0.00 1.98 3.01 -1.26 -4.97 119.74 124.09 1j4e s LYS 293 Ca 0.60 -1.32 0.31 0.00 -1.01 0.00 0.00 55.97 54.55 1j4e s LYS 293 Cb -0.27 -3.64 1.73 0.00 -1.01 0.00 0.00 37.83 34.64 1j4e s LYS 293 CO 0.22 -0.81 2.13 -0.35 0.51 0.00 0.00 175.35 177.04 1j4e n PRO 294 N 4.87 1.10 -4.18 -1.68 -0.04 -1.26 -4.86 135.00 128.95 1j4e n PRO 294 Ca -0.11 -0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.09 1j4e n PRO 294 Cb 0.44 -1.48 -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 -1.58 -0.04 0.00 0.00 175.50 173.88 1j4e s TRP 295 N -2.00 0.95 0.33 0.54 0.51 -1.26 -4.93 118.94 113.09 1j4e s TRP 295 Ca 0.45 -0.87 -0.29 0.00 -2.12 0.00 0.00 56.10 53.27 1j4e s TRP 295 Cb 0.21 -0.54 -0.11 0.00 -0.81 0.00 0.00 33.47 32.23 1j4e s TRP 295 CO 0.36 -0.11 1.46 0.00 -0.51 0.00 0.00 176.95 178.15 1j4e s ALA 296 N -3.49 3.60 -0.36 0.98 0.00 -1.23 -4.84 121.76 116.41 1j4e s ALA 296 Ca 0.12 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.59 1j4e s ALA 296 Cb 0.04 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.68 1j4e s ALA 296 CO -0.04 -0.92 0.08 -0.51 0.00 0.00 0.00 175.76 174.38 1j4e s LEU 297 N -1.50 4.45 0.00 0.00 1.02 -1.26 -0.47 118.68 120.92 1j4e s LEU 297 Ca 0.55 -2.23 0.00 0.00 0.02 0.00 0.00 54.13 52.47 1j4e s LEU 297 Cb -0.45 -1.55 0.00 0.00 0.02 0.00 0.00 46.19 44.21 1j4e s LEU 297 CO 0.55 -0.36 0.00 1.07 0.02 0.00 0.00 176.35 177.63 1j4e n THR 298 N 4.15 0.00 -4.42 5.49 5.66 -0.31 -4.64 114.28 120.20 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 0.44 2.31 -0.41 1.09 -0.71 -1.26 -1.57 117.98 117.87 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 -1.15 0.23 0.00 -1.21 0.00 0.00 43.02 40.90 1j4e s PHE 299 CO 0.00 0.50 0.53 0.45 -1.34 0.00 0.00 175.22 175.36 1j4e n SER 300 N 0.27 -0.38 -4.86 1.98 2.88 -0.76 0.42 113.62 113.17 1j4e n SER 300 Ca -0.13 -2.71 -0.36 0.00 -1.33 0.00 0.00 58.87 54.35 1j4e n SER 300 Cb 0.56 -0.29 -0.06 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.70 3.63 0.00 0.66 2.02 -0.94 -4.37 117.35 117.65 1j4e s TYR 301 Ca 0.34 0.86 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 1j4e s TYR 301 Cb 0.15 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1j4e s TYR 301 CO -0.14 0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 1j4e n GLY 302 N 1.17 -0.09 0.35 0.71 0.00 -1.26 -0.51 105.19 105.57 1j4e n GLY 302 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 1.14 0.00 1.61 -0.00 -1.96 -1.78 114.38 113.39 1j4e h ARG 303 Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1j4e h ARG 303 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 29.74 1j4e h ARG 303 CO 0.00 0.84 0.00 0.00 0.00 0.00 0.00 179.97 180.81 1j4e n ALA 304 N -2.42 1.24 0.00 0.04 0.00 -1.26 -0.27 120.51 117.83 1j4e n ALA 304 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1j4e n ALA 304 Cb 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.30 0.00 -0.02 0.00 7.94 -0.80 -4.59 117.00 118.23 1j4e n LEU 305 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 1j4e n LEU 305 Cb 0.01 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 1j4e n LEU 305 CO 0.01 0.00 -0.01 0.00 -1.11 0.00 0.00 177.39 176.27 1j4e n GLN 306 N -1.65 2.19 -0.00 1.96 6.02 -0.51 -4.56 117.38 120.83 1j4e n GLN 306 Ca 0.00 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 56.92 1j4e n GLN 306 Cb 0.15 -1.19 -0.01 0.00 1.02 0.00 0.00 30.24 30.22 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 2.09 -0.48 -0.80 -1.58 0.00 -0.90 0.82 119.26 118.41 1j4e h ALA 307 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j4e h ALA 307 Cb 0.35 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1j4e h ALA 307 CO 0.00 -0.51 0.48 0.77 0.00 0.00 0.00 179.25 180.00 1j4e h SER 308 N -0.06 0.96 0.01 0.00 0.02 -1.87 -2.43 113.55 110.18 1j4e h SER 308 Ca 0.00 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1j4e h SER 308 Cb 0.07 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1j4e h SER 308 CO -0.05 0.74 -0.14 0.00 -1.14 0.00 0.00 176.83 176.24 1j4e h ALA 309 N 1.26 -0.17 -0.70 3.77 0.00 -1.74 0.55 119.26 122.22 1j4e h ALA 309 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1j4e h ALA 309 Cb -0.05 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1j4e h ALA 309 CO -0.05 -0.64 0.41 1.25 0.00 0.00 0.00 179.25 180.22 1j4e h LEU 310 N -0.24 0.63 -0.66 0.00 5.85 -0.69 -0.18 115.31 120.01 1j4e h LEU 310 Ca 0.05 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1j4e h LEU 310 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1j4e h LEU 310 CO -0.13 0.41 0.03 0.50 -0.34 0.00 0.00 178.44 178.91 1j4e h LYS 311 N 0.76 1.07 0.00 1.25 3.64 -0.93 -2.17 116.57 120.19 1j4e h LYS 311 Ca 0.31 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1j4e h LYS 311 Cb 0.15 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1j4e h LYS 311 CO -0.17 1.02 0.00 0.00 -2.27 0.00 0.00 179.45 178.04 1j4e n ALA 312 N -2.48 2.07 -0.04 5.00 0.00 0.19 -3.32 120.51 121.93 1j4e n ALA 312 Ca 0.03 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1j4e n ALA 312 Cb 0.33 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 0.30 0.00 0.00 7.01 -0.61 -3.38 115.95 119.27 1j4e h TRP 313 Ca 0.00 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 60.78 1j4e h TRP 313 Cb 0.42 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1j4e h TRP 313 CO 0.00 1.67 0.00 0.41 -2.79 0.00 0.00 178.44 177.73 1j4e n GLY 314 N 1.76 0.00 0.64 2.65 0.00 -0.86 -1.10 105.19 108.28 1j4e n GLY 314 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 0.63 3.64 -0.02 0.00 -1.26 -4.81 105.19 103.34 1j4e n GLY 315 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 4.18 0.54 1.61 -0.14 -0.26 -4.93 119.74 119.95 1j4e s LYS 316 Ca 0.00 0.90 0.28 0.00 -1.36 0.00 0.00 55.97 55.79 1j4e s LYS 316 Cb 0.00 -3.64 1.45 0.00 -1.68 0.00 0.00 37.83 33.95 1j4e s LYS 316 CO 0.00 -0.50 1.95 0.87 -0.76 0.00 0.00 175.35 176.91 1j4e h LYS 317 N 7.69 0.00 0.00 1.68 1.57 -1.97 0.19 116.57 125.73 1j4e h LYS 317 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1j4e h LYS 317 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1j4e h LYS 317 CO 0.86 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.89 1j4e n GLU 318 N -4.24 0.35 -0.07 3.15 0.00 -1.26 -2.43 120.64 116.15 1j4e n GLU 318 Ca 0.13 0.08 0.09 0.00 0.00 0.00 0.00 57.16 57.46 1j4e n GLU 318 Cb 0.74 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.80 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 -1.20 2.77 -0.35 -1.84 3.02 0.66 -4.67 115.26 113.65 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 0.12 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 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 3.57 -2.01 0.17 3.41 5.85 -1.60 0.62 115.31 125.34 1j4e h LEU 320 Ca 0.00 0.30 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1j4e h LEU 320 Cb 0.80 0.88 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 1j4e h LEU 320 CO 0.00 -0.25 -0.41 0.11 -0.34 0.00 0.00 178.44 177.56 1j4e h LYS 321 N -0.07 -0.65 -0.91 1.25 6.56 -1.86 0.14 116.57 121.03 1j4e h LYS 321 Ca 0.14 0.04 0.12 0.00 -1.06 0.00 0.00 60.65 59.89 1j4e h LYS 321 Cb 0.42 0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 32.15 1j4e h LYS 321 CO -0.83 -0.43 0.53 0.00 -2.06 0.00 0.00 179.45 176.66 1j4e h ALA 322 N -0.20 1.36 -0.09 3.86 0.00 -1.75 -1.17 119.26 121.28 1j4e h ALA 322 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j4e h ALA 322 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j4e h ALA 322 CO -0.20 0.09 0.02 0.00 0.00 0.00 0.00 179.25 179.15 1j4e h ALA 323 N 1.52 0.12 -0.36 0.00 0.00 -0.36 -2.92 119.26 117.26 1j4e h ALA 323 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1j4e h ALA 323 Cb 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1j4e h ALA 323 CO -0.29 -0.24 0.24 1.96 0.00 0.00 0.00 179.25 180.92 1j4e h GLN 324 N -0.08 0.47 -0.56 0.00 4.20 -0.06 -2.04 115.11 117.03 1j4e h GLN 324 Ca 0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1j4e h GLN 324 Cb 0.28 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1j4e h GLN 324 CO 0.00 0.31 0.16 1.49 -0.67 0.00 0.00 178.83 180.13 1j4e h GLU 325 N 0.49 0.85 -0.25 1.46 4.57 -1.06 -0.59 114.58 120.05 1j4e h GLU 325 Ca 0.13 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1j4e h GLU 325 Cb -0.06 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 1j4e h GLU 325 CO -0.03 0.74 0.09 0.93 -1.18 0.00 0.00 179.01 179.56 1j4e h GLU 326 N 0.82 0.39 -0.13 1.92 4.39 -1.23 -0.52 114.58 120.23 1j4e h GLU 326 Ca 0.18 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1j4e h GLU 326 Cb 0.26 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1j4e h GLU 326 CO -0.01 0.45 0.07 -0.92 -1.16 0.00 0.00 179.01 177.44 1j4e h TYR 327 N 0.25 0.18 0.00 4.33 3.20 -1.34 -1.53 116.97 122.06 1j4e h TYR 327 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1j4e h TYR 327 Cb 0.21 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1j4e h TYR 327 CO -0.00 0.20 -0.01 0.28 -1.64 0.00 0.00 178.16 176.99 1j4e h VAL 328 N 0.10 0.87 0.02 1.81 2.07 -1.01 0.89 116.25 121.01 1j4e h VAL 328 Ca 0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j4e h VAL 328 Cb 0.09 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1j4e h VAL 328 CO -0.01 0.01 -0.01 0.50 0.02 0.00 0.00 177.57 178.08 1j4e h LYS 329 N 0.00 -0.03 -0.47 1.57 1.63 -0.34 -2.38 116.57 116.55 1j4e h LYS 329 Ca -0.00 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1j4e h LYS 329 Cb 0.02 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1j4e h LYS 329 CO 0.00 0.41 -0.23 0.00 -3.45 0.00 0.00 179.45 176.19 1j4e h ARG 330 N -0.49 0.98 -0.86 1.90 2.47 -0.65 -2.10 114.38 115.64 1j4e h ARG 330 Ca -0.00 -0.43 -0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1j4e h ARG 330 Cb 0.46 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.71 1j4e h ARG 330 CO 0.01 1.10 0.53 0.00 0.56 0.00 0.00 179.97 182.17 1j4e h ALA 331 N 0.85 1.09 -0.39 0.04 0.00 -0.90 0.73 119.26 120.69 1j4e h ALA 331 Ca 0.10 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1j4e h ALA 331 Cb 0.81 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j4e h ALA 331 CO 0.07 0.54 -0.37 -0.07 0.00 0.00 0.00 179.25 179.41 1j4e h LEU 332 N 1.17 0.99 -0.27 0.00 3.38 -1.37 -1.00 115.31 118.21 1j4e h LEU 332 Ca 0.31 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1j4e h LEU 332 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1j4e h LEU 332 CO -0.06 1.24 0.16 0.00 0.09 0.00 0.00 178.44 179.87 1j4e h ALA 333 N 0.80 0.35 -0.00 1.53 0.00 -0.88 -2.34 119.26 118.71 1j4e h ALA 333 Ca 0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1j4e h ALA 333 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1j4e h ALA 333 CO 0.09 -0.14 -0.47 -0.91 0.00 0.00 0.00 179.25 177.83 1j4e h ASN 334 N 0.33 0.00 -0.59 0.00 2.35 -0.81 -1.11 115.58 115.76 1j4e h ASN 334 Ca 0.10 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1j4e h ASN 334 Cb 0.04 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1j4e h ASN 334 CO -0.02 0.47 0.21 -1.28 -1.65 0.00 0.00 177.43 175.17 1j4e h SER 335 N 0.00 0.87 0.03 5.81 0.87 -0.88 -1.02 113.55 119.23 1j4e h SER 335 Ca -0.00 -0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 60.25 1j4e h SER 335 Cb 0.83 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1j4e h SER 335 CO 0.06 0.80 -0.59 -0.07 -0.53 0.00 0.00 176.83 176.51 1j4e h LEU 336 N 0.92 0.64 -1.24 2.23 3.38 -0.90 -3.06 115.31 117.28 1j4e h LEU 336 Ca 0.21 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1j4e h LEU 336 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1j4e h LEU 336 CO -0.01 1.09 -0.11 0.00 0.09 0.00 0.00 178.44 179.49 1j4e h ALA 337 N 0.92 1.37 0.00 1.53 0.00 -0.63 -0.42 119.26 122.03 1j4e h ALA 337 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1j4e h ALA 337 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1j4e h ALA 337 CO 0.11 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1j4e n ALA 338 N -2.48 1.52 0.05 0.00 0.00 -0.44 -1.48 120.51 117.68 1j4e n ALA 338 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1j4e n ALA 338 Cb 0.29 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.51 0.44 -1.84 0.00 6.02 -0.56 -4.67 117.38 115.27 1j4e n GLN 339 Ca 0.03 -0.94 -0.12 0.00 -0.01 0.00 0.00 57.00 55.96 1j4e n GLN 339 Cb 0.13 -1.05 -0.03 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.01 0.51 0.62 1.08 0.00 -0.55 -4.90 105.19 101.94 1j4e n GLY 340 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.38 2.50 -2.72 1.61 5.02 -0.27 -4.92 118.16 117.00 1j4e n LYS 341 Ca -0.13 -2.64 -0.42 0.00 -2.02 0.00 0.00 58.31 53.09 1j4e n LYS 341 Cb 0.51 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.59 3.44 -0.47 2.13 5.04 -1.22 -4.85 117.35 118.82 1j4e s TYR 342 Ca 0.36 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.51 1j4e s TYR 342 Cb 0.29 -3.18 0.13 0.00 0.35 0.00 0.00 41.96 39.55 1j4e s TYR 342 CO 0.08 -0.31 0.22 0.95 -1.34 0.00 0.00 175.55 175.15 1j4e s THR 343 N 2.43 2.28 -1.08 4.34 -4.23 -1.26 -4.98 115.64 113.13 1j4e s THR 343 Ca 0.45 -2.99 0.00 0.00 -1.18 0.00 0.00 61.69 57.97 1j4e s THR 343 Cb -0.17 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1j4e s THR 343 CO 0.13 -0.79 0.27 -2.65 -0.54 0.00 0.00 174.62 171.04