#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 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1j4e n PRO 5 Cb 0.00 -0.62 0.19 0.00 -0.04 0.00 0.00 33.50 33.03 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 2.12 0.84 -3.18 0.55 0.00 -2.00 -3.45 119.26 114.13 1j4e h ALA 6 Ca -0.18 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.15 1j4e h ALA 6 Cb 0.57 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.09 1j4e h ALA 6 CO 0.41 0.41 -0.74 -0.51 0.00 0.00 0.00 179.25 178.82 1j4e s LEU 7 N -6.53 2.26 0.52 0.00 1.43 -1.26 -4.94 118.68 110.16 1j4e s LEU 7 Ca 0.03 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1j4e s LEU 7 Cb 0.08 -0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.12 1j4e s LEU 7 CO 0.70 -0.19 0.78 0.42 0.23 0.00 0.00 176.35 178.28 1j4e s THR 8 N -1.38 3.61 0.27 5.49 -4.23 -1.26 -4.88 115.64 113.26 1j4e s THR 8 Ca -0.09 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 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 0.01 -0.32 1.89 -0.65 -0.54 0.00 0.00 174.62 175.00 1j4e h PRO 9 N 0.11 1.15 -0.76 3.99 0.11 -2.01 -0.36 132.00 134.22 1j4e h PRO 9 Ca -0.45 -0.07 -0.00 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 0.58 0.76 0.46 0.93 -0.21 0.00 0.00 178.00 180.51 1j4e h GLU 10 N 1.18 1.03 -0.35 1.05 3.07 -2.00 -0.89 114.58 117.67 1j4e h GLU 10 Ca 0.43 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 1j4e h GLU 10 Cb 0.15 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1j4e h GLU 10 CO -0.17 0.73 -0.13 1.96 -1.40 0.00 0.00 179.01 180.00 1j4e h GLN 11 N 1.04 0.71 -0.46 2.33 4.20 -1.71 -2.32 115.11 118.89 1j4e h GLN 11 Ca 0.27 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1j4e h GLN 11 Cb -0.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1j4e h GLN 11 CO -0.05 0.89 0.27 0.87 -0.67 0.00 0.00 178.83 180.13 1j4e h LYS 12 N 0.50 0.52 -0.86 1.46 1.57 -0.77 -1.64 116.57 117.35 1j4e h LYS 12 Ca 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1j4e h LYS 12 Cb 0.65 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1j4e h LYS 12 CO 0.04 0.34 0.48 -0.22 -0.57 0.00 0.00 179.45 179.53 1j4e h LYS 13 N 0.53 1.19 -0.49 3.15 3.64 -1.06 -0.13 116.57 123.40 1j4e h LYS 13 Ca 0.19 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1j4e h LYS 13 Cb 0.04 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1j4e h LYS 13 CO -0.10 0.87 0.19 1.49 -2.27 0.00 0.00 179.45 179.63 1j4e h GLU 14 N 1.20 0.74 -0.29 1.90 4.81 -0.87 -0.12 114.58 121.96 1j4e h GLU 14 Ca 0.30 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1j4e h GLU 14 Cb 0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1j4e h GLU 14 CO -0.05 0.67 0.09 -0.07 -0.73 0.00 0.00 179.01 178.91 1j4e h LEU 15 N 0.66 0.42 0.03 1.64 3.38 -0.94 -2.01 115.31 118.49 1j4e h LEU 15 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j4e h LEU 15 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1j4e h LEU 15 CO -0.01 0.51 -0.05 -1.28 0.09 0.00 0.00 178.44 177.70 1j4e h SER 16 N 0.30 -0.13 -0.36 -0.43 0.87 -0.88 -0.77 113.55 112.14 1j4e h SER 16 Ca 0.09 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1j4e h SER 16 Cb 0.25 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 1j4e h SER 16 CO -0.00 -0.08 -0.01 0.44 -0.53 0.00 0.00 176.83 176.65 1j4e h ASP 17 N -0.11 -0.16 -0.30 6.23 3.32 -0.96 -0.21 116.42 124.24 1j4e h ASP 17 Ca 0.01 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1j4e h ASP 17 Cb 0.11 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1j4e h ASP 17 CO -0.03 -0.04 0.09 0.40 -1.72 0.00 0.00 179.24 177.94 1j4e h ILE 18 N 0.09 0.89 -0.18 0.35 2.04 -1.15 -1.33 117.51 118.23 1j4e h ILE 18 Ca 0.18 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1j4e h ILE 18 Cb 0.25 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1j4e h ILE 18 CO -0.30 0.04 0.01 0.00 0.00 0.00 0.00 178.15 177.90 1j4e h ALA 19 N 1.20 0.16 -0.61 1.87 0.00 -0.46 -2.28 119.26 119.14 1j4e h ALA 19 Ca 0.14 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j4e h ALA 19 Cb 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1j4e h ALA 19 CO -0.15 -0.43 0.22 0.45 0.00 0.00 0.00 179.25 179.34 1j4e h HIS 20 N 0.07 0.93 -0.49 0.00 3.86 -0.84 -2.91 115.15 115.77 1j4e h HIS 20 Ca 0.08 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1j4e h HIS 20 Cb 0.09 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1j4e h HIS 20 CO -0.15 0.73 0.30 -0.09 0.86 0.00 0.00 177.93 179.58 1j4e h ARG 21 N 0.89 0.67 -0.73 2.45 2.43 -0.91 -0.71 114.38 118.47 1j4e h ARG 21 Ca 0.21 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1j4e h ARG 21 Cb 0.22 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1j4e h ARG 21 CO -0.01 0.48 0.46 0.82 -1.51 0.00 0.00 179.97 180.20 1j4e h ILE 22 N 0.66 1.09 -0.40 1.20 2.04 -1.23 -3.06 117.51 117.81 1j4e h ILE 22 Ca 0.18 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1j4e h ILE 22 Cb -0.02 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1j4e h ILE 22 CO -0.03 0.16 0.04 1.33 0.00 0.00 0.00 178.15 179.64 1j4e n VAL 23 N -4.65 2.51 -1.00 1.67 0.24 -1.12 -4.21 118.33 111.77 1j4e n VAL 23 Ca 0.08 -1.85 -0.35 0.00 -2.04 0.00 0.00 64.34 60.18 1j4e n VAL 23 Cb 0.10 -0.28 0.09 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 -0.32 -2.82 -1.53 2.33 0.00 -0.29 -4.63 120.51 113.25 1j4e n ALA 24 Ca 0.27 -0.49 -0.57 0.00 0.00 0.00 0.00 53.44 52.65 1j4e n ALA 24 Cb 1.04 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.49 0.32 -0.46 0.00 -0.02 -1.26 -0.81 135.00 132.28 1j4e n PRO 25 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1j4e n PRO 25 Cb 0.53 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.79 1.51 3.90 -1.23 0.00 -1.26 -5.00 105.19 104.90 1j4e n GLY 26 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.12 3.35 0.10 1.61 1.02 0.01 -4.50 119.74 121.21 1j4e s LYS 27 Ca 0.00 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1j4e s LYS 27 Cb 0.00 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1j4e s LYS 27 CO 0.00 0.58 0.11 0.41 -0.92 0.00 0.00 175.35 175.53 1j4e n GLY 28 N 0.13 3.32 3.47 -3.33 0.00 -0.28 -4.63 105.19 103.87 1j4e n GLY 28 Ca -0.06 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 3.00 -0.39 -0.61 1.01 0.18 -0.11 121.20 121.82 1j4e s ILE 29 Ca 0.10 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1j4e s ILE 29 Cb 0.00 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.30 1j4e s ILE 29 CO 0.07 0.53 0.26 -0.22 0.00 0.00 0.00 174.94 175.58 1j4e s LEU 30 N -0.91 4.93 -1.03 2.97 2.96 0.03 -2.07 118.68 125.57 1j4e s LEU 30 Ca 0.12 -0.95 -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 0.02 -0.42 1.24 0.00 -1.32 0.00 0.00 176.35 175.87 1j4e s ALA 31 N 1.62 3.58 -0.50 5.97 0.00 0.78 -0.93 121.76 132.27 1j4e s ALA 31 Ca 0.04 -2.97 0.02 0.00 0.00 0.00 0.00 51.96 49.05 1j4e s ALA 31 Cb -0.19 -4.09 0.52 0.00 0.00 0.00 0.00 23.12 19.36 1j4e s ALA 31 CO 0.08 -2.92 1.81 0.00 0.00 0.00 0.00 175.76 174.73 1j4e n ALA 32 N 6.28 5.68 -0.61 0.00 0.00 -0.73 -4.26 120.51 126.86 1j4e n ALA 32 Ca 0.29 -3.32 -0.06 0.00 0.00 0.00 0.00 53.44 50.35 1j4e n ALA 32 Cb 0.47 -1.34 0.23 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.99 4.19 -4.73 0.00 5.75 -0.99 -4.21 116.55 115.58 1j4e n ASP 33 Ca 0.55 -2.99 -0.42 0.00 -0.01 0.00 0.00 54.79 51.92 1j4e n ASP 33 Cb 1.03 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.12 2.63 -1.26 0.11 4.71 -1.26 -4.49 120.64 120.96 1j4e n GLU 34 Ca 0.34 0.94 -0.30 0.00 -0.01 0.00 0.00 57.16 58.13 1j4e n GLU 34 Cb 1.20 -2.73 0.23 0.00 -1.01 0.00 0.00 31.44 29.13 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 0.71 1.38 0.30 1.62 1.04 -1.26 -4.55 113.70 112.95 1j4e s SER 35 Ca 0.69 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1j4e s SER 35 Cb -0.53 -0.76 0.52 0.00 0.10 0.00 0.00 66.02 65.36 1j4e s SER 35 CO 0.43 -3.83 1.92 0.74 0.98 0.00 0.00 173.24 173.48 1j4e h THR 36 N -2.38 1.09 -0.22 2.02 2.02 -1.99 -0.06 112.91 113.40 1j4e h THR 36 Ca -0.45 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 1j4e h THR 36 Cb 1.28 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1j4e h THR 36 CO 0.35 0.19 -0.42 1.23 0.37 0.00 0.00 175.52 177.24 1j4e h GLY 37 N 1.04 0.73 0.73 2.16 0.00 -1.99 -2.41 103.07 103.32 1j4e h GLY 37 Ca 0.37 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1j4e h GLY 37 CO -0.13 0.77 -0.23 1.76 0.00 0.00 0.00 176.54 178.71 1j4e h SER 38 N 0.37 -0.55 -0.18 0.19 0.02 -1.79 -2.90 113.55 108.70 1j4e h SER 38 Ca 0.01 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1j4e h SER 38 Cb 1.02 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1j4e h SER 38 CO 0.09 -0.21 0.17 -0.29 -1.14 0.00 0.00 176.83 175.46 1j4e h ILE 39 N -0.93 0.60 -0.54 3.27 6.09 -1.14 -0.71 117.51 124.16 1j4e h ILE 39 Ca -0.07 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1j4e h ILE 39 Cb 0.60 0.87 -0.03 0.00 0.47 0.00 0.00 36.82 38.73 1j4e h ILE 39 CO 0.11 0.00 0.33 0.00 -3.07 0.00 0.00 178.15 175.52 1j4e h ALA 40 N 1.83 0.68 -0.38 0.18 0.00 -1.23 0.97 119.26 121.31 1j4e h ALA 40 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j4e h ALA 40 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1j4e h ALA 40 CO -0.00 0.16 0.22 0.87 0.00 0.00 0.00 179.25 180.50 1j4e h LYS 41 N 0.72 0.44 0.29 0.00 1.79 -1.03 -0.40 116.57 118.37 1j4e h LYS 41 Ca 0.19 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1j4e h LYS 41 Cb -0.03 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 1j4e h LYS 41 CO -0.04 0.29 -0.49 0.00 -1.08 0.00 0.00 179.45 178.13 1j4e h ARG 42 N 0.45 -0.79 -0.97 3.15 2.47 -1.06 -1.54 114.38 116.09 1j4e h ARG 42 Ca 0.15 0.05 0.12 0.00 -1.26 0.00 0.00 59.98 59.05 1j4e h ARG 42 Cb 0.01 0.18 -0.08 0.00 -1.65 0.00 0.00 29.97 28.43 1j4e h ARG 42 CO -0.07 -0.53 0.62 -0.07 0.56 0.00 0.00 179.97 180.47 1j4e h LEU 43 N -0.82 0.86 -0.22 3.04 3.38 -0.70 -1.56 115.31 119.28 1j4e h LEU 43 Ca -0.03 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1j4e h LEU 43 Cb 0.77 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1j4e h LEU 43 CO -0.17 0.46 -0.10 -0.61 0.09 0.00 0.00 178.44 178.11 1j4e h GLN 44 N 0.92 -0.06 0.00 1.13 4.15 -0.34 -1.42 115.11 119.49 1j4e h GLN 44 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.91 1j4e h GLN 44 Cb 0.54 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1j4e h GLN 44 CO -0.25 -0.04 0.07 -1.13 -1.93 0.00 0.00 178.83 175.55 1j4e n SER 45 N -5.26 0.00 -2.03 -0.69 3.41 -0.59 -0.57 113.62 107.90 1j4e n SER 45 Ca -0.02 0.17 0.01 0.00 -0.26 0.00 0.00 58.87 58.78 1j4e n SER 45 Cb 0.18 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.10 0.73 -4.11 -1.33 -5.35 -0.61 -5.02 119.36 102.58 1j4e n ILE 46 Ca 0.00 -2.03 -0.32 0.00 -0.27 0.00 0.00 62.75 60.14 1j4e n ILE 46 Cb 0.07 0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 38.89 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 -0.08 -0.27 3.14 3.28 0.00 0.27 -4.63 105.19 106.91 1j4e n GLY 47 Ca 0.09 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.10 1.87 0.40 2.61 2.01 -0.76 -4.99 115.64 112.67 1j4e s THR 48 Ca 0.11 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 1j4e s THR 48 Cb -0.06 -1.65 -0.10 0.00 0.01 0.00 0.00 72.50 70.69 1j4e s THR 48 CO 0.89 0.51 1.43 1.21 -0.69 0.00 0.00 174.62 177.97 1j4e n GLU 49 N 3.97 2.41 -2.76 4.92 2.13 -1.26 -4.10 120.64 125.94 1j4e n GLU 49 Ca -0.20 0.85 -0.44 0.00 0.66 0.00 0.00 57.16 58.04 1j4e n GLU 49 Cb 0.52 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.64 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 0.25 5.13 -4.95 4.31 5.15 -1.26 -4.80 115.26 119.10 1j4e n ASN 50 Ca 0.03 -2.99 -0.19 0.00 -0.60 0.00 0.00 54.58 50.83 1j4e n ASN 50 Cb 0.39 -1.58 -0.00 0.00 -0.53 0.00 0.00 39.78 38.06 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 1.69 2.70 0.06 -0.44 -4.23 -1.26 -5.02 115.64 109.14 1j4e s THR 51 Ca 0.44 -1.18 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1j4e s THR 51 Cb 0.01 -2.88 -0.15 0.00 1.34 0.00 0.00 72.50 70.82 1j4e s THR 51 CO 0.01 0.00 1.30 -0.08 -0.54 0.00 0.00 174.62 175.31 1j4e h GLU 52 N 0.78 0.53 -0.54 3.99 4.81 -1.99 -2.51 114.58 119.63 1j4e h GLU 52 Ca -0.40 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.50 1j4e h GLU 52 Cb 1.28 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1j4e h GLU 52 CO 0.51 0.97 0.34 1.49 -0.73 0.00 0.00 179.01 181.59 1j4e h GLU 53 N 0.16 0.67 -1.00 1.92 4.57 -1.97 0.35 114.58 119.27 1j4e h GLU 53 Ca -0.00 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1j4e h GLU 53 Cb 0.97 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 1j4e h GLU 53 CO 0.08 0.44 0.66 -0.91 -1.18 0.00 0.00 179.01 178.11 1j4e h ASN 54 N 0.69 1.14 -0.10 1.04 2.35 -1.86 0.21 115.58 119.04 1j4e h ASN 54 Ca 0.21 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1j4e h ASN 54 Cb -0.02 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 1j4e h ASN 54 CO -0.07 0.82 0.00 0.03 -1.65 0.00 0.00 177.43 176.56 1j4e h ARG 55 N 1.34 0.17 -0.48 0.81 3.08 -0.85 -1.44 114.38 117.02 1j4e h ARG 55 Ca 0.37 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.41 1j4e h ARG 55 Cb -0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1j4e h ARG 55 CO -0.09 0.42 0.25 -0.09 -1.07 0.00 0.00 179.97 179.39 1j4e h ARG 56 N -0.09 0.47 -0.81 0.04 2.43 0.12 0.08 114.38 116.62 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 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1j4e h ARG 56 CO 0.00 0.31 0.52 0.35 -1.51 0.00 0.00 179.97 179.64 1j4e h PHE 57 N 0.48 1.03 -0.20 2.20 3.57 -0.53 0.17 116.94 123.67 1j4e h PHE 57 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1j4e h PHE 57 Cb 0.12 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1j4e h PHE 57 CO -0.10 0.66 0.01 -0.92 -2.23 0.00 0.00 178.31 175.73 1j4e h TYR 58 N 1.10 0.38 -0.64 0.41 3.20 -0.53 0.12 116.97 121.02 1j4e h TYR 58 Ca 0.29 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1j4e h TYR 58 Cb -0.10 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1j4e h TYR 58 CO -0.01 0.54 0.21 0.00 -1.64 0.00 0.00 178.16 177.25 1j4e h ARG 59 N 0.12 0.96 -0.06 1.82 -0.00 -0.77 -2.33 114.38 114.13 1j4e h ARG 59 Ca 0.06 -0.18 0.00 0.00 -0.50 0.00 0.00 59.98 59.36 1j4e h ARG 59 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 1j4e h ARG 59 CO 0.01 0.82 0.02 0.37 0.00 0.00 0.00 179.97 181.19 1j4e h GLN 60 N 0.94 0.05 -0.85 0.04 4.15 -0.40 0.72 115.11 119.75 1j4e h GLN 60 Ca 0.21 -0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.84 1j4e h GLN 60 Cb 0.25 -0.01 -0.13 0.00 0.21 0.00 0.00 27.48 27.80 1j4e h GLN 60 CO -0.01 0.03 0.28 1.25 -1.93 0.00 0.00 178.83 178.45 1j4e h LEU 61 N 0.05 0.12 0.19 -2.39 6.46 -0.23 -0.10 115.31 119.41 1j4e h LEU 61 Ca 0.02 0.17 -0.26 0.00 -0.12 0.00 0.00 57.88 57.69 1j4e h LEU 61 Cb 0.01 0.20 0.03 0.00 -0.73 0.00 0.00 40.66 40.17 1j4e h LEU 61 CO -0.02 -0.08 -1.15 -0.07 -0.62 0.00 0.00 178.44 176.50 1j4e h LEU 62 N 0.29 0.64 -1.18 2.25 3.38 -1.08 -3.32 115.31 116.30 1j4e h LEU 62 Ca 0.53 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1j4e h LEU 62 Cb 1.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1j4e h LEU 62 CO -0.58 1.55 0.00 -0.07 0.09 0.00 0.00 178.44 179.43 1j4e h LEU 63 N -0.13 0.00 -3.18 1.67 3.38 -0.20 -3.20 115.31 113.65 1j4e h LEU 63 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1j4e h LEU 63 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1j4e h LEU 63 CO 0.21 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.09 1j4e n THR 64 N -2.70 2.16 -0.94 0.22 -2.24 -0.11 -4.71 114.28 105.96 1j4e n THR 64 Ca 0.01 -1.98 -0.33 0.00 -2.27 0.00 0.00 64.05 59.48 1j4e n THR 64 Cb 0.26 -0.24 0.13 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.76 -0.90 -0.67 6.98 0.00 -1.21 -4.91 120.51 119.04 1j4e n ALA 65 Ca 0.20 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 1j4e n ALA 65 Cb 0.82 -2.11 0.17 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.85 -2.06 0.00 0.00 5.68 -1.26 -4.83 116.55 111.22 1j4e n ASP 66 Ca 0.11 0.02 0.04 0.00 -0.50 0.00 0.00 54.79 54.46 1j4e n ASP 66 Cb 0.51 -1.10 0.22 0.00 -1.14 0.00 0.00 41.12 39.61 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 -2.21 0.00 0.23 -1.12 8.00 -1.26 -2.79 116.55 117.40 1j4e n ASP 67 Ca 0.03 -0.06 0.09 0.00 0.71 0.00 0.00 54.79 55.56 1j4e n ASP 67 Cb 0.58 -0.12 0.57 0.00 -0.02 0.00 0.00 41.12 42.13 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 -1.81 114.38 112.41 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 0.20 0.00 -0.24 -1.07 0.00 0.00 179.97 178.86 1j4e h VAL 69 N 0.00 0.00 -0.19 2.04 3.04 -1.85 -3.37 116.25 115.92 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 0.46 1.43 -0.07 0.00 -2.01 0.00 0.00 31.29 31.10 1j4e h VAL 69 CO 0.03 0.00 -0.42 0.78 -1.01 0.00 0.00 177.57 176.95 1j4e h ASN 70 N 0.00 -1.33 0.44 3.17 4.21 -1.54 -1.16 115.58 119.37 1j4e h ASN 70 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1j4e h ASN 70 Cb 0.69 0.55 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1j4e h ASN 70 CO 0.00 -0.41 0.00 -0.81 -1.29 0.00 0.00 177.43 174.92 1j4e n PRO 71 N -5.43 0.05 -0.00 0.81 -0.04 -1.26 -2.61 135.00 126.51 1j4e n PRO 71 Ca -0.03 0.35 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1j4e n PRO 71 Cb 0.36 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.57 1.97 -3.33 0.55 0.00 -0.54 -4.23 120.51 113.36 1j4e n ALA 72 Ca 0.02 -0.71 -0.45 0.00 0.00 0.00 0.00 53.44 52.30 1j4e n ALA 72 Cb 0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.92 5.06 -0.38 0.00 -1.09 -0.62 -1.13 121.20 120.13 1j4e s ILE 73 Ca -0.05 -1.53 0.22 0.00 -2.23 0.00 0.00 60.65 57.06 1j4e s ILE 73 Cb 0.09 -4.25 0.27 0.00 -1.58 0.00 0.00 42.46 36.99 1j4e s ILE 73 CO 0.83 -0.85 1.53 1.23 -1.23 0.00 0.00 174.94 176.45 1j4e h GLY 74 N 8.82 0.00 -3.56 6.18 0.00 -0.68 -3.38 103.07 110.45 1j4e h GLY 74 Ca -0.29 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.21 1j4e h GLY 74 CO 1.01 0.00 0.63 -0.32 0.00 0.00 0.00 176.54 177.86 1j4e s GLY 75 N -4.26 -0.39 -0.04 4.60 0.00 -1.05 -1.56 107.32 104.62 1j4e s GLY 75 Ca 0.06 1.29 -0.01 0.00 0.00 0.00 0.00 44.72 46.06 1j4e s GLY 75 CO 0.69 0.44 0.07 0.54 0.00 0.00 0.00 173.10 174.84 1j4e s VAL 76 N -2.77 -0.07 -0.07 1.40 0.11 -0.78 -0.79 120.40 117.44 1j4e s VAL 76 Ca 0.07 0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 59.13 1j4e s VAL 76 Cb -0.01 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1j4e s VAL 76 CO -0.07 0.09 0.61 -0.63 -3.33 0.00 0.00 175.10 171.78 1j4e s ILE 77 N 1.21 5.06 0.20 7.04 1.01 -0.11 -0.73 121.20 134.89 1j4e s ILE 77 Ca -0.08 1.26 0.10 0.00 0.00 0.00 0.00 60.65 61.93 1j4e s ILE 77 Cb -0.13 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1j4e s ILE 77 CO -0.04 0.30 -0.14 -0.76 0.00 0.00 0.00 174.94 174.30 1j4e s LEU 78 N 0.56 2.79 0.35 2.97 1.43 0.13 -1.77 118.68 125.15 1j4e s LEU 78 Ca 0.33 -0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1j4e s LEU 78 Cb -0.17 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 1j4e s LEU 78 CO 0.16 0.09 0.66 0.12 0.23 0.00 0.00 176.35 177.61 1j4e s PHE 79 N -1.84 3.48 0.20 0.29 5.36 -1.26 -1.65 117.98 122.56 1j4e s PHE 79 Ca 0.25 0.82 -0.22 0.00 -0.96 0.00 0.00 56.93 56.82 1j4e s PHE 79 Cb -0.08 -2.26 0.13 0.00 -0.34 0.00 0.00 43.02 40.48 1j4e s PHE 79 CO 0.14 0.02 1.55 1.25 -1.46 0.00 0.00 175.22 176.72 1j4e h HIS 80 N 1.37 -1.28 -0.06 10.12 6.17 -1.93 -2.11 115.15 127.43 1j4e h HIS 80 Ca -0.47 0.10 0.02 0.00 0.71 0.00 0.00 60.37 60.73 1j4e h HIS 80 Cb 1.19 0.69 -0.06 0.00 2.52 0.00 0.00 27.41 31.75 1j4e h HIS 80 CO 0.59 -0.40 -0.53 1.49 0.71 0.00 0.00 177.93 179.78 1j4e h GLU 81 N -0.05 -0.60 -0.79 5.26 4.81 -1.98 -2.68 114.58 118.54 1j4e h GLU 81 Ca 0.27 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.70 1j4e h GLU 81 Cb 0.55 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.97 1j4e h GLU 81 CO -0.91 -0.40 0.34 1.15 -0.73 0.00 0.00 179.01 178.46 1j4e h THR 82 N -0.62 0.64 -0.13 0.32 2.02 -1.79 0.25 112.91 113.59 1j4e h THR 82 Ca 0.02 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1j4e h THR 82 Cb 0.69 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1j4e h THR 82 CO -0.39 0.09 0.36 0.25 0.37 0.00 0.00 175.52 176.20 1j4e h LEU 83 N 0.47 0.00 -3.08 2.58 5.85 -1.09 0.11 115.31 120.15 1j4e h LEU 83 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1j4e h LEU 83 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1j4e h LEU 83 CO -0.42 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.46 1j4e n TYR 84 N -3.17 0.55 -3.10 1.25 4.01 0.06 -4.53 117.16 112.24 1j4e n TYR 84 Ca 0.01 -0.74 -0.18 0.00 -0.16 0.00 0.00 57.90 56.83 1j4e n TYR 84 Cb 0.45 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.07 2.89 0.11 -0.72 -0.21 0.39 -4.99 119.66 115.07 1j4e s GLN 85 Ca 0.30 -1.09 0.06 0.00 0.02 0.00 0.00 55.36 54.65 1j4e s GLN 85 Cb 0.23 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 1j4e s GLN 85 CO 0.09 -0.22 -0.14 0.15 -2.12 0.00 0.00 175.29 173.05 1j4e s LYS 86 N -4.35 0.98 0.66 2.91 1.02 -1.26 -1.51 119.74 118.19 1j4e s LYS 86 Ca 0.52 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.22 1j4e s LYS 86 Cb -0.10 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 1j4e s LYS 86 CO 0.33 0.17 1.03 0.00 -0.92 0.00 0.00 175.35 175.96 1j4e s ALA 87 N -2.01 3.04 0.38 5.17 0.00 -0.31 -4.89 121.76 123.15 1j4e s ALA 87 Ca 0.07 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 51.80 1j4e s ALA 87 Cb -0.06 -2.92 1.07 0.00 0.00 0.00 0.00 23.12 21.22 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 0.49 0.00 0.00 3.32 -1.98 0.54 116.42 118.33 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 1.24 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1j4e h ASP 88 CO 0.63 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.32 1j4e n ASP 89 N -4.70 0.00 0.00 6.45 5.68 -1.26 -4.85 116.55 117.87 1j4e n ASP 89 Ca 0.26 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1j4e n ASP 89 Cb 0.88 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 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 0.28 2.83 3.75 6.12 0.00 0.19 -5.02 105.19 113.34 1j4e n GLY 90 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.27 4.34 0.24 1.61 0.52 -1.26 -4.67 118.95 119.47 1j4e s ARG 91 Ca 0.00 2.18 -0.30 0.00 -0.52 0.00 0.00 55.73 57.09 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 -0.30 1.45 -2.14 0.02 0.00 0.00 175.30 174.33 1j4e s PRO 92 N -0.52 4.26 0.31 3.54 0.02 -1.26 -1.16 135.00 140.19 1j4e s PRO 92 Ca 0.56 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.93 1j4e s PRO 92 Cb -0.39 -3.11 0.81 0.00 0.02 0.00 0.00 34.50 31.83 1j4e s PRO 92 CO 0.43 -0.43 1.61 0.74 -0.33 0.00 0.00 177.00 179.02 1j4e h PHE 93 N 5.12 0.27 -0.67 6.54 0.04 -1.54 0.67 116.94 127.38 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 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 39.36 1j4e h PHE 93 CO 0.60 -0.33 0.45 -1.35 -0.60 0.00 0.00 178.31 177.09 1j4e h PRO 94 N 0.11 0.29 -0.20 1.51 0.11 -1.85 -0.50 132.00 131.46 1j4e h PRO 94 Ca 0.61 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.60 1j4e h PRO 94 Cb 1.30 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j4e h PRO 94 CO -0.77 0.19 -0.28 0.37 -0.21 0.00 0.00 178.00 177.31 1j4e h GLN 95 N 0.30 0.54 0.16 1.05 4.15 -0.00 -0.77 115.11 120.53 1j4e h GLN 95 Ca 0.32 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1j4e h GLN 95 Cb 0.85 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1j4e h GLN 95 CO -0.08 0.91 -0.22 0.28 -1.93 0.00 0.00 178.83 177.80 1j4e h VAL 96 N 0.22 0.52 -0.52 2.39 2.07 -0.80 0.21 116.25 120.34 1j4e h VAL 96 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1j4e h VAL 96 Cb 0.85 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1j4e h VAL 96 CO 0.06 0.00 0.17 0.40 0.02 0.00 0.00 177.57 178.22 1j4e h ILE 97 N -0.43 0.78 0.00 4.57 2.04 -1.19 -1.81 117.51 121.48 1j4e h ILE 97 Ca 0.01 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1j4e h ILE 97 Cb 0.43 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1j4e h ILE 97 CO -0.09 0.06 -0.40 0.50 0.00 0.00 0.00 178.15 178.22 1j4e h LYS 98 N 0.33 0.00 0.00 2.37 3.64 -0.71 -2.02 116.57 120.18 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 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1j4e h LYS 98 CO -0.28 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 177.96 1j4e h SER 99 N 0.00 0.00 -0.58 4.20 4.64 0.26 -2.80 113.55 119.26 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 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 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 -2.96 2.44 -0.53 4.77 5.02 -0.98 -4.93 118.16 121.00 1j4e n LYS 100 Ca 0.03 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 1j4e n LYS 100 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.49 0.68 3.70 0.72 0.00 -1.06 -4.69 105.19 106.04 1j4e n GLY 101 Ca 0.21 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.42 1.63 0.09 -0.02 0.00 -0.78 -4.80 107.32 101.02 1j4e s GLY 102 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 1j4e s GLY 102 CO 0.00 -1.49 0.46 0.14 0.00 0.00 0.00 173.10 172.21 1j4e s VAL 103 N -2.01 4.98 -0.11 1.40 1.01 -0.60 -3.74 120.40 121.33 1j4e s VAL 103 Ca 0.30 0.68 -0.20 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 0.21 0.33 0.58 -0.69 0.00 0.00 0.00 175.10 175.53 1j4e s VAL 104 N -1.36 5.12 0.11 2.92 1.01 -1.26 -1.86 120.40 125.08 1j4e s VAL 104 Ca 0.33 1.16 0.09 0.00 0.00 0.00 0.00 61.98 63.56 1j4e s VAL 104 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1j4e s VAL 104 CO 0.18 0.28 -0.19 -0.83 0.00 0.00 0.00 175.10 174.53 1j4e s GLY 105 N 0.75 1.67 -0.06 4.51 0.00 0.09 -0.83 107.32 113.46 1j4e s GLY 105 Ca 0.31 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1j4e s GLY 105 CO 0.13 -1.32 -0.09 -1.50 0.00 0.00 0.00 173.10 170.31 1j4e s ILE 106 N -1.12 0.91 0.01 0.90 1.10 -0.37 0.19 121.20 122.82 1j4e s ILE 106 Ca 0.17 -0.35 -0.30 0.00 -0.51 0.00 0.00 60.65 59.66 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 1.00 -0.75 -2.11 0.00 0.00 174.94 173.48 1j4e s LYS 107 N 0.74 4.55 0.00 3.50 2.20 -0.66 -2.27 119.74 127.80 1j4e s LYS 107 Ca -0.14 1.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.99 1j4e s LYS 107 Cb -0.15 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1j4e s LYS 107 CO 0.02 -0.07 0.39 1.33 -0.36 0.00 0.00 175.35 176.66 1j4e n VAL 108 N 3.89 0.00 -2.65 4.02 0.24 -0.98 -4.62 118.33 118.23 1j4e n VAL 108 Ca 0.06 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.34 61.63 1j4e n VAL 108 Cb 0.50 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.87 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 -1.29 6.62 -0.52 -1.34 1.47 -1.25 -4.81 116.67 115.55 1j4e s ASP 109 Ca 0.04 1.79 0.02 0.00 1.18 0.00 0.00 52.55 55.58 1j4e s ASP 109 Cb 0.05 -2.55 0.44 0.00 -0.34 0.00 0.00 42.92 40.52 1j4e s ASP 109 CO 0.20 -0.58 1.62 0.29 0.68 0.00 0.00 175.17 177.38 1j4e n LYS 110 N -0.88 3.13 -0.08 2.11 5.02 0.56 -4.97 118.16 123.05 1j4e n LYS 110 Ca 0.08 -3.77 0.01 0.00 -2.02 0.00 0.00 58.31 52.61 1j4e n LYS 110 Cb 0.53 -2.28 -0.00 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 -0.76 -1.79 3.89 0.72 0.00 -1.26 -4.65 105.19 101.34 1j4e n GLY 111 Ca 0.52 -1.49 -0.29 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 -1.79 4.91 0.06 1.61 -7.23 -1.26 -1.67 120.40 115.03 1j4e s VAL 112 Ca 0.00 0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.52 1j4e s VAL 112 Cb 0.00 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1j4e s VAL 112 CO 0.00 -0.40 -0.10 0.68 -0.31 0.00 0.00 175.10 174.96 1j4e s VAL 113 N -2.20 0.78 0.37 1.32 -7.23 0.61 -4.89 120.40 109.16 1j4e s VAL 113 Ca 0.47 -1.19 -0.27 0.00 -1.81 0.00 0.00 61.98 59.19 1j4e s VAL 113 Cb -0.11 -0.82 -0.09 0.00 0.56 0.00 0.00 36.38 35.92 1j4e s VAL 113 CO 0.30 -0.33 1.21 -2.16 -0.31 0.00 0.00 175.10 173.82 1j4e s PRO 114 N -1.69 4.20 -0.46 4.82 0.04 -1.26 -1.51 135.00 139.14 1j4e s PRO 114 Ca -0.06 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1j4e s PRO 114 Cb -0.10 -2.85 0.07 0.00 0.04 0.00 0.00 34.50 31.66 1j4e s PRO 114 CO 0.01 -0.24 0.36 -1.17 0.04 0.00 0.00 177.00 176.00 1j4e s LEU 115 N -2.17 5.49 0.50 -3.56 2.96 -0.60 -4.83 118.68 116.48 1j4e s LEU 115 Ca 0.53 -1.34 -0.22 0.00 -0.22 0.00 0.00 54.13 52.88 1j4e s LEU 115 Cb -0.34 -2.14 -0.08 0.00 0.50 0.00 0.00 46.19 44.13 1j4e s LEU 115 CO 0.44 -0.61 0.99 0.00 -1.32 0.00 0.00 176.35 175.84 1j4e n ALA 116 N 5.13 0.22 -0.97 5.97 0.00 -1.26 -2.49 120.51 127.11 1j4e n ALA 116 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1j4e n ALA 116 Cb 0.44 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 1.22 0.77 3.68 0.00 0.00 -1.26 -5.02 105.19 104.59 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 -3.18 2.63 -1.40 2.61 -4.23 -1.04 -5.03 115.64 105.99 1j4e s THR 118 Ca 0.00 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 1j4e s THR 118 Cb 0.00 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 71.02 1j4e s THR 118 CO 0.00 -0.14 2.10 -3.20 -0.54 0.00 0.00 174.62 172.84 1j4e n ASN 119 N -1.06 4.24 -1.34 3.99 5.15 -1.26 -4.38 115.26 120.60 1j4e n ASN 119 Ca -0.03 -2.91 -0.12 0.00 -0.60 0.00 0.00 54.58 50.92 1j4e n ASN 119 Cb 0.63 -1.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.24 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 3.91 -0.04 3.95 8.20 0.00 -1.26 -5.03 105.19 114.92 1j4e n GLY 120 Ca 0.49 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.50 3.15 0.23 1.61 2.02 -1.26 -4.99 118.70 114.95 1j4e s GLU 121 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1j4e s GLU 121 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1j4e s GLU 121 CO 0.00 -0.22 0.12 0.95 0.02 0.00 0.00 175.26 176.13 1j4e s THR 122 N -2.54 0.26 0.32 3.63 -4.23 -1.26 -1.55 115.64 110.27 1j4e s THR 122 Ca 0.47 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1j4e s THR 122 Cb -0.10 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1j4e s THR 122 CO 0.38 0.00 0.20 0.28 -0.54 0.00 0.00 174.62 174.94 1j4e s THR 123 N -3.95 0.20 0.09 3.99 -1.32 -0.57 -4.76 115.64 109.31 1j4e s THR 123 Ca 0.38 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.92 1j4e s THR 123 Cb 0.07 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 1j4e s THR 123 CO 0.13 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 172.81 1j4e s THR 124 N -3.53 1.24 0.42 5.08 -4.23 -1.26 -0.28 115.64 113.08 1j4e s THR 124 Ca 0.36 -1.46 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1j4e s THR 124 Cb 0.04 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 1j4e s THR 124 CO 0.21 -0.27 0.35 0.00 -0.54 0.00 0.00 174.62 174.37 1j4e s GLN 125 N -2.05 2.47 0.00 3.99 -2.07 -0.67 -4.91 119.66 116.42 1j4e s GLN 125 Ca 0.02 -1.61 0.00 0.00 -1.82 0.00 0.00 55.36 51.95 1j4e s GLN 125 Cb -0.08 -2.30 0.00 0.00 -1.09 0.00 0.00 33.01 29.53 1j4e s GLN 125 CO 0.03 -0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1j4e n GLY 126 N -1.51 -0.75 0.13 2.60 0.00 -1.26 -0.32 105.19 104.07 1j4e n GLY 126 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -9.38 0.99 3.38 -1.90 -3.41 115.31 105.03 1j4e h LEU 127 Ca 0.00 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 1j4e h LEU 127 Cb 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 40.77 1j4e h LEU 127 CO 0.00 0.71 1.04 0.47 0.09 0.00 0.00 178.44 180.74 1j4e n ASP 128 N -3.74 3.52 -1.74 -0.43 8.00 -1.26 -1.51 116.55 119.39 1j4e n ASP 128 Ca -0.01 1.00 -0.20 0.00 0.71 0.00 0.00 54.79 56.29 1j4e n ASP 128 Cb 0.67 -1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.27 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 4.13 1.45 0.26 0.44 0.00 -1.26 -4.86 105.19 105.36 1j4e n GLY 129 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.43 0.27 0.99 5.85 -1.50 -2.28 115.31 119.07 1j4e h LEU 130 Ca -0.42 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1j4e h LEU 130 Cb 1.31 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1j4e h LEU 130 CO 0.59 0.53 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.82 1j4e h SER 131 N 0.43 -0.30 0.16 1.25 0.87 -1.89 0.97 113.55 115.05 1j4e h SER 131 Ca 0.09 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1j4e h SER 131 Cb 0.37 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1j4e h SER 131 CO 0.02 -0.12 -0.15 1.05 -0.53 0.00 0.00 176.83 177.10 1j4e h GLU 132 N -0.48 0.00 -0.29 2.24 9.09 -1.95 -1.17 114.58 122.04 1j4e h GLU 132 Ca -0.04 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.29 1j4e h GLU 132 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 1j4e h GLU 132 CO 0.06 0.15 -0.13 0.00 0.05 0.00 0.00 179.01 179.14 1j4e h ARG 133 N 0.00 0.60 -0.57 1.06 3.08 -0.95 -2.36 114.38 115.24 1j4e h ARG 133 Ca -0.00 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1j4e h ARG 133 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1j4e h ARG 133 CO 0.02 0.83 0.01 0.00 -1.07 0.00 0.00 179.97 179.76 1j4e h ALA 135 N 0.97 1.39 -0.16 0.00 0.00 -1.17 0.23 119.26 120.53 1j4e h ALA 135 Ca 0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1j4e h ALA 135 Cb 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j4e h ALA 135 CO 0.03 0.48 -0.31 0.37 0.00 0.00 0.00 179.25 179.82 1j4e h GLN 136 N 1.19 0.49 -0.40 0.00 5.75 -1.08 -2.59 115.11 118.48 1j4e h GLN 136 Ca 0.41 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1j4e h GLN 136 Cb 0.09 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1j4e h GLN 136 CO -0.14 0.92 0.13 1.88 -2.65 0.00 0.00 178.83 178.97 1j4e h TYR 137 N 0.12 0.57 0.22 3.99 0.05 -0.47 -0.88 116.97 120.56 1j4e h TYR 137 Ca 0.01 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1j4e h TYR 137 Cb 0.90 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.47 1j4e h TYR 137 CO 0.10 0.47 -0.10 -0.22 -1.05 0.00 0.00 178.16 177.35 1j4e h LYS 138 N 0.57 -0.28 -0.63 4.88 1.63 -0.47 -1.09 116.57 121.18 1j4e h LYS 138 Ca 0.14 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.04 1j4e h LYS 138 Cb 0.16 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1j4e h LYS 138 CO -0.01 -0.13 0.42 0.87 -3.45 0.00 0.00 179.45 177.15 1j4e h LYS 139 N -0.36 0.51 -0.79 1.90 1.57 -1.03 -2.10 116.57 116.27 1j4e h LYS 139 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1j4e h LYS 139 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1j4e h LYS 139 CO 0.05 0.34 0.01 -0.25 -0.57 0.00 0.00 179.45 179.02 1j4e n ASP 140 N -4.48 3.40 0.00 0.86 8.00 -0.38 -4.91 116.55 119.04 1j4e n ASP 140 Ca 0.10 -2.48 0.00 0.00 0.71 0.00 0.00 54.79 53.12 1j4e n ASP 140 Cb 0.31 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.30 2.91 3.77 0.44 0.00 -0.79 -4.92 105.19 106.91 1j4e n GLY 141 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.63 3.26 0.00 4.61 0.00 -0.46 -4.39 121.76 122.15 1j4e s ALA 142 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1j4e s ALA 142 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1j4e s ALA 142 CO 0.00 -0.03 0.02 -0.25 0.00 0.00 0.00 175.76 175.50 1j4e n ASP 143 N 0.77 0.05 -3.81 0.00 8.00 -0.01 -4.18 116.55 117.36 1j4e n ASP 143 Ca 0.01 -0.44 -0.10 0.00 0.71 0.00 0.00 54.79 54.98 1j4e n ASP 143 Cb 0.48 0.76 -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 -0.76 0.05 0.36 1.24 -0.12 -1.16 -1.15 117.98 116.44 1j4e s PHE 144 Ca 0.00 -0.38 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 1j4e s PHE 144 Cb 0.00 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1j4e s PHE 144 CO 0.00 -0.53 0.10 0.00 -0.05 0.00 0.00 175.22 174.73 1j4e s ALA 145 N -3.40 2.60 -0.06 1.99 0.00 0.25 -1.23 121.76 121.90 1j4e s ALA 145 Ca 0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.33 1j4e s ALA 145 Cb 0.02 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 0.15 0.21 0.00 0.00 0.00 175.76 175.70 1j4e s LYS 146 N -3.82 0.13 -0.07 0.00 2.36 -0.96 -1.39 119.74 115.99 1j4e s LYS 146 Ca 0.30 0.30 -0.02 0.00 -2.55 0.00 0.00 55.97 54.00 1j4e s LYS 146 Cb 0.05 -0.06 0.03 0.00 -1.05 0.00 0.00 37.83 36.80 1j4e s LYS 146 CO 0.15 -0.10 0.02 -0.46 1.55 0.00 0.00 175.35 176.50 1j4e s TRP 147 N 0.69 0.55 -0.20 4.03 -0.11 -1.22 -2.32 118.94 120.36 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 -0.07 -0.75 -0.05 0.00 -1.50 0.00 0.00 33.47 31.11 1j4e s TRP 147 CO -0.03 -0.32 0.13 0.50 -4.62 0.00 0.00 176.95 172.60 1j4e s ARG 148 N 2.01 4.16 0.05 5.86 3.52 -1.26 -3.11 118.95 130.18 1j4e s ARG 148 Ca 0.05 -0.22 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1j4e s ARG 148 Cb -0.13 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1j4e s ARG 148 CO -0.05 0.31 -0.12 0.00 -0.81 0.00 0.00 175.30 174.63 1j4e s VAL 150 N -1.04 1.45 0.05 0.00 1.01 -1.26 -2.16 120.40 118.45 1j4e s VAL 150 Ca 0.17 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1j4e s VAL 150 Cb -0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1j4e s VAL 150 CO 0.08 0.43 -0.20 -0.76 0.00 0.00 0.00 175.10 174.65 1j4e s LEU 151 N 0.57 2.18 -0.05 3.92 2.01 -0.50 -4.43 118.68 122.38 1j4e s LEU 151 Ca -0.16 -0.53 0.04 0.00 0.01 0.00 0.00 54.13 53.50 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 0.05 0.13 -0.18 -1.59 1.01 0.00 0.00 176.35 175.77 1j4e s LYS 152 N -1.24 1.96 -0.07 1.70 -2.85 -1.26 -0.83 119.74 117.16 1j4e s LYS 152 Ca 0.06 -0.65 -0.28 0.00 -1.00 0.00 0.00 55.97 54.10 1j4e s LYS 152 Cb -0.09 -1.67 -0.02 0.00 -2.06 0.00 0.00 37.83 33.98 1j4e s LYS 152 CO 0.02 0.24 0.90 0.42 0.10 0.00 0.00 175.35 177.03 1j4e s ILE 153 N 0.07 4.89 0.00 3.79 1.01 -1.26 -3.19 121.20 126.52 1j4e s ILE 153 Ca -0.06 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.44 1j4e s ILE 153 Cb -0.13 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1j4e s ILE 153 CO 0.03 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1j4e n GLY 154 N 3.08 2.61 0.47 6.18 0.00 -0.73 -4.72 105.19 112.09 1j4e n GLY 154 Ca 0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.57 -0.14 1.61 -0.00 -2.01 -3.21 114.58 110.27 1j4e h GLU 155 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 59.36 59.34 1j4e h GLU 155 Cb 0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 28.75 28.85 1j4e h GLU 155 CO 0.00 -0.38 -0.21 0.72 -0.00 0.00 0.00 179.01 179.14 1j4e n HIS 156 N -5.42 0.44 -4.13 2.06 8.25 -1.26 -5.02 115.22 110.15 1j4e n HIS 156 Ca -0.06 -1.36 -0.16 0.00 -0.26 0.00 0.00 57.72 55.88 1j4e n HIS 156 Cb 0.38 -0.31 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.12 0.83 0.23 1.59 -4.23 -1.21 -3.50 115.64 106.23 1j4e s THR 157 Ca 0.39 -1.16 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 1j4e s THR 157 Cb 0.36 -0.84 -0.09 0.00 1.34 0.00 0.00 72.50 73.27 1j4e s THR 157 CO -0.01 -0.28 1.22 -2.84 -0.54 0.00 0.00 174.62 172.18 1j4e s PRO 158 N -1.59 4.47 0.76 3.99 0.02 -1.19 -1.77 135.00 139.69 1j4e s PRO 158 Ca -0.05 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 62.81 1j4e s PRO 158 Cb -0.10 -3.19 0.04 0.00 0.02 0.00 0.00 34.50 31.28 1j4e s PRO 158 CO 0.01 -0.08 1.11 -1.54 -0.33 0.00 0.00 177.00 176.17 1j4e s SER 159 N -0.13 4.95 0.17 2.53 1.04 -1.23 -4.85 113.70 116.19 1j4e s SER 159 Ca 0.51 1.14 -0.14 0.00 0.48 0.00 0.00 55.95 57.95 1j4e s SER 159 Cb -0.35 -1.87 0.12 0.00 0.10 0.00 0.00 66.02 64.02 1j4e s SER 159 CO 0.41 -1.66 1.78 0.00 0.98 0.00 0.00 173.24 174.74 1j4e h ALA 160 N -0.88 0.60 -0.18 5.32 0.00 -1.99 -1.47 119.26 120.66 1j4e h ALA 160 Ca -0.46 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1j4e h ALA 160 Cb 1.27 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1j4e h ALA 160 CO 0.63 -0.13 -0.14 1.25 0.00 0.00 0.00 179.25 180.86 1j4e h LEU 161 N 0.45 -0.43 -0.45 0.00 6.46 -1.99 0.11 115.31 119.46 1j4e h LEU 161 Ca 0.21 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 58.13 1j4e h LEU 161 Cb 0.13 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 1j4e h LEU 161 CO -0.16 -0.18 0.12 0.00 -0.62 0.00 0.00 178.44 177.61 1j4e h ALA 162 N 0.97 0.52 -0.29 1.25 0.00 -1.82 0.87 119.26 120.76 1j4e h ALA 162 Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1j4e h ALA 162 Cb 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j4e h ALA 162 CO -0.26 -0.28 0.09 0.82 0.00 0.00 0.00 179.25 179.62 1j4e h ILE 163 N 0.27 1.20 0.86 0.00 2.04 -0.76 -2.04 117.51 119.09 1j4e h ILE 163 Ca 0.22 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1j4e h ILE 163 Cb 0.25 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1j4e h ILE 163 CO -0.26 0.21 -0.42 -0.03 0.00 0.00 0.00 178.15 177.66 1j4e h MET 164 N 0.31 -1.12 -0.91 2.37 4.05 -0.26 -2.33 114.93 117.05 1j4e h MET 164 Ca 0.09 0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1j4e h MET 164 Cb 0.24 0.25 -0.05 0.00 -0.80 0.00 0.00 31.60 31.25 1j4e h MET 164 CO -0.00 -0.74 0.60 1.49 0.23 0.00 0.00 176.91 178.48 1j4e h GLU 165 N -1.18 1.17 -0.05 0.39 4.57 -0.89 -1.33 114.58 117.26 1j4e h GLU 165 Ca -0.12 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 57.81 1j4e h GLU 165 Cb 0.89 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1j4e h GLU 165 CO 0.19 0.77 -0.74 -0.91 -1.18 0.00 0.00 179.01 177.15 1j4e h ASN 166 N 1.20 0.34 -0.16 1.04 -0.26 -1.41 -1.38 115.58 114.96 1j4e h ASN 166 Ca 0.34 -0.23 -0.15 0.00 -0.56 0.00 0.00 56.30 55.70 1j4e h ASN 166 Cb -0.10 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1j4e h ASN 166 CO -0.08 0.97 -0.43 0.00 -1.06 0.00 0.00 177.43 176.82 1j4e h ALA 167 N 1.03 0.71 -0.30 -0.83 0.00 -1.17 -2.39 119.26 116.32 1j4e h ALA 167 Ca -0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1j4e h ALA 167 Cb 1.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1j4e h ALA 167 CO 0.12 0.67 -0.46 -0.97 0.00 0.00 0.00 179.25 178.60 1j4e h ASN 168 N 0.57 0.84 0.47 0.00 -1.24 -1.14 -2.55 115.58 112.54 1j4e h ASN 168 Ca 0.04 -0.41 -0.16 0.00 0.71 0.00 0.00 56.30 56.48 1j4e h ASN 168 Cb 0.98 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 1j4e h ASN 168 CO 0.09 1.17 -0.69 1.62 -1.29 0.00 0.00 177.43 178.34 1j4e h VAL 169 N 0.62 1.43 -0.32 2.57 3.04 -1.24 -2.08 116.25 120.26 1j4e h VAL 169 Ca 0.04 -2.20 -0.06 0.00 -1.01 0.00 0.00 66.70 63.46 1j4e h VAL 169 Cb 1.03 2.17 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 1j4e h VAL 169 CO 0.10 0.64 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.16 1j4e h LEU 170 N 0.13 0.50 -0.23 3.16 3.38 -1.32 -1.59 115.31 119.34 1j4e h LEU 170 Ca -0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1j4e h LEU 170 Cb 1.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1j4e h LEU 170 CO 0.10 0.62 -0.12 0.00 0.09 0.00 0.00 178.44 179.13 1j4e h ALA 171 N 1.44 0.32 -0.40 1.53 0.00 -1.08 -0.78 119.26 120.29 1j4e h ALA 171 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1j4e h ALA 171 Cb 0.43 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1j4e h ALA 171 CO 0.02 0.18 0.19 0.00 0.00 0.00 0.00 179.25 179.64 1j4e h ARG 172 N 0.20 0.37 -0.21 0.00 2.47 -1.12 0.63 114.38 116.72 1j4e h ARG 172 Ca 0.05 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1j4e h ARG 172 Cb 0.63 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 1j4e h ARG 172 CO 0.04 0.25 -0.03 -0.92 0.56 0.00 0.00 179.97 179.86 1j4e h TYR 173 N 0.38 -0.08 -0.54 3.04 3.20 -1.18 -0.73 116.97 121.06 1j4e h TYR 173 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1j4e h TYR 173 Cb 0.10 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1j4e h TYR 173 CO -0.11 -0.07 0.31 0.00 -1.64 0.00 0.00 178.16 176.65 1j4e h ALA 174 N 1.20 0.69 0.28 1.82 0.00 -0.64 -1.92 119.26 120.69 1j4e h ALA 174 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j4e h ALA 174 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1j4e h ALA 174 CO -0.20 0.19 -0.28 1.03 0.00 0.00 0.00 179.25 179.99 1j4e h SER 175 N 0.72 -0.76 -0.72 0.00 0.87 -0.43 -1.71 113.55 111.52 1j4e h SER 175 Ca 0.19 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1j4e h SER 175 Cb 0.02 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1j4e h SER 175 CO -0.03 -0.41 0.47 0.40 -0.53 0.00 0.00 176.83 176.73 1j4e h ILE 176 N -0.60 1.03 0.68 2.23 2.04 -1.05 -2.47 117.51 119.37 1j4e h ILE 176 Ca -0.01 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1j4e h ILE 176 Cb 0.55 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1j4e h ILE 176 CO -0.06 0.14 -0.33 0.00 0.00 0.00 0.00 178.15 177.90 1j4e h GLN 178 N -1.14 0.00 0.00 0.00 4.20 -1.18 0.38 115.11 117.36 1j4e h GLN 178 Ca -0.09 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1j4e h GLN 178 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1j4e h GLN 178 CO 0.15 0.00 -0.29 1.96 -0.67 0.00 0.00 178.83 179.98 1j4e h GLN 179 N 0.00 0.00 -0.40 1.46 1.08 -1.26 -2.97 115.11 113.02 1j4e h GLN 179 Ca 0.07 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1j4e h GLN 179 Cb 0.63 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.00 1j4e h GLN 179 CO -0.00 0.29 0.05 0.09 -0.95 0.00 0.00 178.83 178.31 1j4e n ASN 180 N -3.63 3.78 -1.49 1.46 3.02 0.13 -4.95 115.26 113.58 1j4e n ASN 180 Ca -0.01 -3.26 -0.13 0.00 -0.03 0.00 0.00 54.58 51.15 1j4e n ASN 180 Cb 0.42 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.58 -0.03 3.34 7.41 0.00 -1.11 -4.78 105.19 109.45 1j4e n GLY 181 Ca 0.29 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.66 3.10 -0.15 -0.61 -1.09 -0.95 -4.85 121.20 114.00 1j4e s ILE 182 Ca 0.00 -0.62 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 1j4e s ILE 182 Cb 0.00 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.53 1j4e s ILE 182 CO 0.00 0.50 1.25 -0.69 -1.23 0.00 0.00 174.94 174.77 1j4e s VAL 183 N 0.73 4.28 -0.08 2.92 1.01 -0.30 -2.88 120.40 126.08 1j4e s VAL 183 Ca -0.05 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 1j4e s VAL 183 Cb -0.15 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1j4e s VAL 183 CO 0.02 -0.11 0.68 -2.16 0.00 0.00 0.00 175.10 173.52 1j4e s PRO 184 N 3.26 4.42 -0.38 2.72 0.04 -1.25 -0.58 135.00 143.22 1j4e s PRO 184 Ca 0.55 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 1j4e s PRO 184 Cb -0.22 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1j4e s PRO 184 CO 0.16 0.06 0.36 0.42 0.04 0.00 0.00 177.00 178.03 1j4e s ILE 185 N 0.84 5.18 -0.29 0.56 1.01 -0.49 -2.50 121.20 125.52 1j4e s ILE 185 Ca 0.36 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 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 0.17 -0.23 0.84 -0.69 0.00 0.00 0.00 174.94 175.03 1j4e s VAL 186 N 1.94 4.77 -0.42 2.92 1.01 -0.37 -3.43 120.40 126.83 1j4e s VAL 186 Ca 0.10 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.48 1j4e s VAL 186 Cb -0.17 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.15 1j4e s VAL 186 CO 0.12 -0.23 0.14 -0.70 0.00 0.00 0.00 175.10 174.43 1j4e s GLU 187 N 3.01 1.71 -1.05 2.72 2.12 -1.18 -0.17 118.70 125.86 1j4e s GLU 187 Ca 0.35 -2.20 -0.04 0.00 0.36 0.00 0.00 54.97 53.44 1j4e s GLU 187 Cb -0.14 -3.27 0.30 0.00 0.26 0.00 0.00 34.13 31.28 1j4e s GLU 187 CO 0.11 -1.01 1.39 -0.35 -0.54 0.00 0.00 175.26 174.86 1j4e n PRO 188 N 3.77 4.24 -2.18 4.30 -0.04 -1.24 -1.20 135.00 142.65 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 -2.50 -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 -2.63 4.33 -0.42 0.54 2.12 -0.92 -4.62 118.70 117.11 1j4e s GLU 189 Ca 0.32 2.07 -0.08 0.00 0.36 0.00 0.00 54.97 57.63 1j4e s GLU 189 Cb 0.04 -3.24 0.09 0.00 0.26 0.00 0.00 34.13 31.28 1j4e s GLU 189 CO 0.08 -0.41 0.26 0.42 -0.54 0.00 0.00 175.26 175.08 1j4e s ILE 190 N 0.94 4.06 0.25 -3.70 1.01 -1.26 -1.41 121.20 121.09 1j4e s ILE 190 Ca 0.63 -1.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1j4e s ILE 190 Cb -0.37 -3.56 -0.15 0.00 0.01 0.00 0.00 42.46 38.39 1j4e s ILE 190 CO 0.32 -0.58 0.77 0.18 0.00 0.00 0.00 174.94 175.63 1j4e n LEU 191 N 4.86 0.32 0.05 2.97 4.32 -0.01 -4.87 117.00 124.65 1j4e n LEU 191 Ca -0.09 1.15 0.13 0.00 -0.02 0.00 0.00 56.01 57.18 1j4e n LEU 191 Cb 0.42 -1.13 0.51 0.00 -1.62 0.00 0.00 43.42 41.61 1j4e n LEU 191 CO 0.39 -2.18 0.91 -0.81 -1.22 0.00 0.00 177.39 174.48 1j4e n PRO 192 N 0.85 0.12 -1.56 3.23 -0.04 -1.26 -4.40 135.00 131.94 1j4e n PRO 192 Ca 0.14 0.12 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 1j4e n PRO 192 Cb 0.29 -1.65 0.01 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 -1.86 0.51 0.00 3.54 8.00 -1.26 -1.77 116.55 123.72 1j4e n ASP 193 Ca 0.06 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.54 1j4e n ASP 193 Cb 0.37 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 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 1.39 1.17 0.21 0.44 0.00 -1.26 -4.53 105.19 102.61 1j4e n GLY 194 Ca 0.10 -2.26 0.08 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 2.57 -4.74 1.61 5.75 -1.26 -1.92 116.55 118.56 1j4e n ASP 195 Ca 0.00 -2.91 -0.33 0.00 -0.01 0.00 0.00 54.79 51.54 1j4e n ASP 195 Cb 0.00 -0.39 0.08 0.00 -1.03 0.00 0.00 41.12 39.78 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 -2.58 2.32 0.37 2.11 -3.43 -1.26 -4.29 115.29 108.54 1j4e s HIS 196 Ca 0.29 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 1j4e s HIS 196 Cb 0.25 -3.29 0.07 0.00 -1.43 0.00 0.00 32.58 28.18 1j4e s HIS 196 CO 0.04 -2.14 0.51 -0.40 -2.00 0.00 0.00 174.74 170.76 1j4e n ASP 197 N -2.73 0.73 0.31 7.38 5.68 -1.26 -0.06 116.55 126.59 1j4e n ASP 197 Ca 0.12 -1.60 -0.18 0.00 -0.50 0.00 0.00 54.79 52.62 1j4e n ASP 197 Cb 0.51 -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 -1.31 -0.79 -2.12 6.46 -1.93 -2.52 115.31 113.09 1j4e h LEU 198 Ca -0.17 0.10 0.16 0.00 -0.12 0.00 0.00 57.88 57.85 1j4e h LEU 198 Cb 0.64 0.42 -0.15 0.00 -0.73 0.00 0.00 40.66 40.84 1j4e h LEU 198 CO 0.19 -0.66 -0.16 0.11 -0.62 0.00 0.00 178.44 177.29 1j4e h LYS 199 N -1.01 0.01 -0.57 1.25 6.56 -1.95 0.11 116.57 120.97 1j4e h LYS 199 Ca -0.07 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.58 1j4e h LYS 199 Cb 0.86 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.46 1j4e h LYS 199 CO -0.03 0.01 0.27 -0.09 -2.06 0.00 0.00 179.45 177.55 1j4e h ARG 200 N 0.01 0.50 -0.40 3.15 9.65 -1.89 0.89 114.38 126.28 1j4e h ARG 200 Ca 0.39 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.20 1j4e h ARG 200 Cb 0.62 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1j4e h ARG 200 CO -0.79 0.33 0.10 0.00 2.80 0.00 0.00 179.97 182.41 1j4e h GLN 202 N 0.51 0.39 0.29 0.00 4.15 -0.41 0.43 115.11 120.46 1j4e h GLN 202 Ca 0.13 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1j4e h GLN 202 Cb 0.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1j4e h GLN 202 CO 0.00 0.37 -0.14 -0.92 -1.93 0.00 0.00 178.83 176.21 1j4e h TYR 203 N 0.38 -0.36 -0.70 3.99 3.20 -0.41 -2.10 116.97 120.98 1j4e h TYR 203 Ca 0.09 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1j4e h TYR 203 Cb 0.17 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1j4e h TYR 203 CO 0.00 -0.01 0.38 0.28 -1.64 0.00 0.00 178.16 177.17 1j4e h VAL 204 N -0.80 1.22 -1.00 1.81 2.07 -1.08 -1.97 116.25 116.50 1j4e h VAL 204 Ca -0.04 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1j4e h VAL 204 Cb 0.51 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1j4e h VAL 204 CO 0.06 0.24 0.66 0.74 0.02 0.00 0.00 177.57 179.29 1j4e h THR 205 N 0.96 1.19 -0.45 2.57 2.02 -0.95 0.53 112.91 118.77 1j4e h THR 205 Ca 0.24 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1j4e h THR 205 Cb 0.05 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.24 1j4e h THR 205 CO -0.04 0.23 0.02 -0.33 0.37 0.00 0.00 175.52 175.77 1j4e h GLU 206 N 1.28 0.79 -0.17 6.66 5.08 -0.87 0.10 114.58 127.45 1j4e h GLU 206 Ca 0.39 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1j4e h GLU 206 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1j4e h GLU 206 CO -0.12 0.84 0.01 0.87 -1.00 0.00 0.00 179.01 179.61 1j4e h LYS 207 N 0.64 0.29 0.16 2.33 1.79 -0.80 -1.40 116.57 119.58 1j4e h LYS 207 Ca 0.13 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1j4e h LYS 207 Cb 0.47 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1j4e h LYS 207 CO 0.02 0.50 -0.08 0.28 -1.08 0.00 0.00 179.45 179.09 1j4e h VAL 208 N 0.04 0.84 -0.75 0.50 2.07 -0.86 -1.42 116.25 116.66 1j4e h VAL 208 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1j4e h VAL 208 Cb 0.36 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1j4e h VAL 208 CO 0.01 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 178.02 1j4e h LEU 209 N -0.22 0.74 -0.55 2.57 4.07 -0.95 0.48 115.31 121.45 1j4e h LEU 209 Ca -0.02 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 1j4e h LEU 209 Cb 0.17 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1j4e h LEU 209 CO 0.03 0.49 -0.18 0.00 -1.08 0.00 0.00 178.44 177.71 1j4e h ALA 210 N 1.58 0.75 -0.03 1.53 0.00 -0.95 -2.43 119.26 119.71 1j4e h ALA 210 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1j4e h ALA 210 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j4e h ALA 210 CO -0.10 0.67 -0.39 0.00 0.00 0.00 0.00 179.25 179.42 1j4e h ALA 211 N 0.93 1.29 0.60 0.00 0.00 -0.14 -2.69 119.26 119.25 1j4e h ALA 211 Ca 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1j4e h ALA 211 Cb 0.74 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1j4e h ALA 211 CO 0.06 0.52 -0.29 0.28 0.00 0.00 0.00 179.25 179.82 1j4e h VAL 212 N 0.06 0.25 0.00 0.00 2.07 -0.57 -2.85 116.25 115.21 1j4e h VAL 212 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1j4e h VAL 212 Cb 0.73 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1j4e h VAL 212 CO 0.05 0.03 -0.12 1.88 0.02 0.00 0.00 177.57 179.43 1j4e h TYR 213 N -1.07 0.00 -0.32 1.57 0.05 -1.45 -0.04 116.97 115.71 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 0.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 1j4e h TYR 213 CO 0.00 0.12 -0.46 -0.22 -1.05 0.00 0.00 178.16 176.55 1j4e h LYS 214 N 0.00 0.84 0.13 4.88 1.63 -1.51 -1.87 116.57 120.67 1j4e h LYS 214 Ca -0.00 -0.48 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1j4e h LYS 214 Cb 0.39 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1j4e h LYS 214 CO 0.02 1.12 -0.06 0.00 -3.45 0.00 0.00 179.45 177.07 1j4e h ALA 215 N 0.80 -0.18 -0.80 5.00 0.00 -1.05 0.08 119.26 123.11 1j4e h ALA 215 Ca 0.04 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.04 1j4e h ALA 215 Cb 1.05 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1j4e h ALA 215 CO 0.10 -0.52 0.55 -0.07 0.00 0.00 0.00 179.25 179.32 1j4e h LEU 216 N -0.35 0.16 0.03 0.00 4.07 -0.99 -0.10 115.31 118.13 1j4e h LEU 216 Ca -0.02 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1j4e h LEU 216 Cb 0.28 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.02 1j4e h LEU 216 CO 0.03 0.07 -0.66 -1.28 -1.08 0.00 0.00 178.44 175.51 1j4e h SER 217 N 0.16 0.54 -0.41 -0.43 0.87 -0.70 0.07 113.55 113.66 1j4e h SER 217 Ca 0.39 -0.79 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1j4e h SER 217 Cb 1.30 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1j4e h SER 217 CO -0.07 1.27 0.22 0.44 -0.53 0.00 0.00 176.83 178.16 1j4e h ASP 218 N -0.13 0.54 -0.25 6.23 3.32 0.71 -1.68 116.42 125.17 1j4e h ASP 218 Ca -0.09 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1j4e h ASP 218 Cb 1.39 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1j4e h ASP 218 CO 0.13 0.46 0.00 1.41 -1.72 0.00 0.00 179.24 179.52 1j4e n HIS 219 N -4.40 0.61 -2.93 4.55 8.25 -0.30 -4.92 115.22 116.08 1j4e n HIS 219 Ca 0.03 -0.24 -0.20 0.00 -0.26 0.00 0.00 57.72 57.06 1j4e n HIS 219 Cb 0.11 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.09 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 0.27 -1.67 -2.89 4.41 8.25 -0.63 -4.86 115.22 118.10 1j4e n HIS 220 Ca 0.10 0.32 -0.38 0.00 -0.26 0.00 0.00 57.72 57.50 1j4e n HIS 220 Cb 0.45 -3.46 -0.06 0.00 1.12 0.00 0.00 29.99 28.04 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 -2.93 4.31 -0.68 1.59 -5.25 0.00 -4.87 121.20 113.37 1j4e s ILE 221 Ca 0.23 1.70 -0.26 0.00 -0.99 0.00 0.00 60.65 61.32 1j4e s ILE 221 Cb -0.11 -4.03 0.04 0.00 2.95 0.00 0.00 42.46 41.30 1j4e s ILE 221 CO 0.28 0.27 1.19 -0.47 -1.79 0.00 0.00 174.94 174.42 1j4e s TYR 222 N -1.46 2.44 0.35 1.37 5.04 -1.26 -4.79 117.35 119.04 1j4e s TYR 222 Ca 0.45 -0.04 0.05 0.00 -2.44 0.00 0.00 57.07 55.09 1j4e s TYR 222 Cb -0.20 -4.52 0.70 0.00 0.35 0.00 0.00 41.96 38.30 1j4e s TYR 222 CO 0.24 -1.86 1.95 -0.07 -1.34 0.00 0.00 175.55 174.47 1j4e h LEU 223 N 12.41 0.70 -2.35 6.97 4.07 -1.94 -1.59 115.31 133.58 1j4e h LEU 223 Ca -0.27 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 1j4e h LEU 223 Cb 1.06 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 1j4e h LEU 223 CO 1.23 0.46 -0.00 -0.33 -1.08 0.00 0.00 178.44 178.72 1j4e h GLU 224 N 0.80 0.00 -0.85 1.13 3.07 -1.92 -1.80 114.58 115.02 1j4e h GLU 224 Ca 0.32 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.66 1j4e h GLU 224 Cb 0.24 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.87 1j4e h GLU 224 CO -0.11 0.00 0.42 0.41 -1.40 0.00 0.00 179.01 178.33 1j4e n GLY 225 N -0.62 5.38 3.25 -3.84 0.00 -0.60 -4.33 105.19 104.43 1j4e n GLY 225 Ca -0.02 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 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 -4.08 0.31 0.04 2.61 -4.23 -0.68 -3.92 115.64 105.69 1j4e s THR 226 Ca 0.57 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1j4e s THR 226 Cb 0.47 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 1j4e s THR 226 CO 0.03 -0.09 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.23 1j4e s LEU 227 N -3.21 2.38 -0.13 4.79 1.02 -1.04 -3.70 118.68 118.78 1j4e s LEU 227 Ca 0.36 -0.78 0.02 0.00 0.02 0.00 0.00 54.13 53.75 1j4e s LEU 227 Cb 0.07 0.11 0.01 0.00 0.02 0.00 0.00 46.19 46.41 1j4e s LEU 227 CO 0.11 -0.44 -0.18 -0.22 0.02 0.00 0.00 176.35 175.63 1j4e s LEU 228 N -2.27 1.91 -0.76 1.79 2.96 -0.65 -1.24 118.68 120.42 1j4e s LEU 228 Ca -0.03 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1j4e s LEU 228 Cb -0.00 -1.27 0.19 0.00 0.50 0.00 0.00 46.19 45.61 1j4e s LEU 228 CO -0.05 0.04 0.62 -0.75 -1.32 0.00 0.00 176.35 174.88 1j4e s LYS 229 N 0.95 2.95 0.48 1.98 2.20 0.76 -0.52 119.74 128.55 1j4e s LYS 229 Ca -0.06 -2.91 0.08 0.00 -0.36 0.00 0.00 55.97 52.72 1j4e s LYS 229 Cb -0.15 -3.86 0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1j4e s LYS 229 CO -0.03 -1.23 0.66 -1.25 -0.36 0.00 0.00 175.35 173.15 1j4e s PRO 230 N -0.71 2.62 0.36 4.03 0.04 -1.26 -3.64 135.00 136.45 1j4e s PRO 230 Ca 0.22 -1.32 -0.11 0.00 0.04 0.00 0.00 61.00 59.83 1j4e s PRO 230 Cb -0.13 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.64 1j4e s PRO 230 CO -0.08 -0.51 0.72 0.54 0.04 0.00 0.00 177.00 177.71 1j4e s ASN 231 N -4.46 6.59 0.65 6.66 4.22 -1.26 -2.06 114.94 125.28 1j4e s ASN 231 Ca 0.58 1.11 -0.11 0.00 -2.14 0.00 0.00 52.86 52.30 1j4e s ASN 231 Cb -0.09 -2.31 -0.02 0.00 1.28 0.00 0.00 41.25 40.12 1j4e s ASN 231 CO 0.35 -0.30 1.05 -0.04 -2.04 0.00 0.00 177.10 176.12 1j4e s MET 232 N -3.52 3.30 -0.37 3.55 -1.94 -1.26 -4.95 119.30 114.11 1j4e s MET 232 Ca 0.51 0.75 -0.25 0.00 -1.71 0.00 0.00 55.69 54.99 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 -0.79 0.87 0.08 -0.01 0.00 0.00 175.02 175.44 1j4e s VAL 233 N -3.17 4.64 0.08 -6.03 1.01 -1.26 -5.00 120.40 110.66 1j4e s VAL 233 Ca 0.56 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 1j4e s VAL 233 Cb -0.12 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1j4e s VAL 233 CO 0.54 -0.52 0.09 0.42 0.00 0.00 0.00 175.10 175.63 1j4e s THR 234 N 3.35 0.17 0.84 3.92 -4.23 -1.26 -4.59 115.64 113.83 1j4e s THR 234 Ca 0.35 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.25 1j4e s THR 234 Cb -0.12 -1.48 0.09 0.00 1.34 0.00 0.00 72.50 72.33 1j4e s THR 234 CO 0.19 -0.78 1.09 -2.16 -0.54 0.00 0.00 174.62 172.42 1j4e s PRO 235 N -3.90 1.74 0.63 3.99 0.04 -1.26 -4.69 135.00 131.55 1j4e s PRO 235 Ca 0.07 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1j4e s PRO 235 Cb 0.06 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1j4e s PRO 235 CO -0.09 -1.96 1.22 0.20 0.04 0.00 0.00 177.00 176.40 1j4e s GLY 236 N -3.38 2.65 0.50 0.56 0.00 0.91 -4.87 107.32 103.69 1j4e s GLY 236 Ca 0.62 0.99 0.27 0.00 0.00 0.00 0.00 44.72 46.60 1j4e s GLY 236 CO 0.57 1.39 1.88 0.45 0.00 0.00 0.00 173.10 177.39 1j4e h HIS 237 N 0.55 0.19 -0.48 1.90 3.86 -1.26 0.21 115.15 120.11 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 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1j4e h HIS 237 CO 0.46 0.04 0.00 0.00 0.86 0.00 0.00 177.93 179.29 1j4e n ALA 238 N -2.64 3.33 -1.80 2.45 0.00 -0.81 -4.99 120.51 116.05 1j4e n ALA 238 Ca 0.19 -1.93 -0.41 0.00 0.00 0.00 0.00 53.44 51.29 1j4e n ALA 238 Cb 0.87 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.48 3.50 -0.05 0.00 0.00 0.73 -4.61 121.76 118.85 1j4e s ALA 239 Ca 0.48 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 53.39 1j4e s ALA 239 Cb 0.36 -3.46 -0.20 0.00 0.00 0.00 0.00 23.12 19.81 1j4e s ALA 239 CO 0.16 -0.57 1.10 1.15 0.00 0.00 0.00 175.76 177.59 1j4e h THR 240 N 3.16 1.30 -3.95 0.00 2.02 -1.89 -3.46 112.91 110.09 1j4e h THR 240 Ca -0.48 -1.30 -0.54 0.00 0.77 0.00 0.00 66.41 64.87 1j4e h THR 240 Cb 1.22 2.13 0.19 0.00 -1.74 0.00 0.00 68.15 69.96 1j4e h THR 240 CO 0.68 0.32 0.07 1.67 0.37 0.00 0.00 175.52 178.63 1j4e n GLN 241 N -4.85 0.01 -4.80 6.66 7.27 -1.26 -5.04 117.38 115.37 1j4e n GLN 241 Ca -0.09 0.07 -0.29 0.00 0.07 0.00 0.00 57.00 56.76 1j4e n GLN 241 Cb 0.29 -2.25 -0.14 0.00 2.41 0.00 0.00 30.24 30.54 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 -3.95 1.69 0.07 3.69 3.01 -1.26 -5.06 119.74 117.93 1j4e s LYS 242 Ca 0.69 -1.13 0.03 0.00 -1.01 0.00 0.00 55.97 54.55 1j4e s LYS 242 Cb -0.28 -1.91 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 1j4e s LYS 242 CO 0.56 0.49 -0.09 0.71 0.51 0.00 0.00 175.35 177.52 1j4e s TYR 243 N -0.84 0.89 0.63 3.18 1.51 -1.26 -5.14 117.35 116.31 1j4e s TYR 243 Ca 0.12 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.53 1j4e s TYR 243 Cb -0.10 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1j4e s TYR 243 CO 0.03 -0.04 0.96 -1.54 -1.11 0.00 0.00 175.55 173.85 1j4e s SER 244 N -1.94 5.54 0.27 2.29 1.04 -1.26 -4.94 113.70 114.70 1j4e s SER 244 Ca -0.03 0.85 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 1j4e s SER 244 Cb -0.07 -1.77 0.37 0.00 0.10 0.00 0.00 66.02 64.65 1j4e s SER 244 CO 0.00 -1.16 1.83 0.45 0.98 0.00 0.00 173.24 175.35 1j4e h HIS 245 N -0.33 0.92 -0.79 5.02 3.86 -1.99 -2.10 115.15 119.73 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 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.41 1j4e h HIS 245 CO 0.48 0.74 0.51 0.93 0.86 0.00 0.00 177.93 181.45 1j4e h GLU 246 N 0.88 0.99 -0.27 2.45 3.07 -1.94 0.23 114.58 119.99 1j4e h GLU 246 Ca 0.20 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1j4e h GLU 246 Cb 0.25 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1j4e h GLU 246 CO -0.01 0.65 0.08 0.93 -1.40 0.00 0.00 179.01 179.26 1j4e h GLU 247 N 1.01 0.42 0.00 2.33 5.08 -1.77 0.74 114.58 122.39 1j4e h GLU 247 Ca 0.31 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1j4e h GLU 247 Cb -0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1j4e h GLU 247 CO -0.09 0.50 -0.26 -0.84 -1.00 0.00 0.00 179.01 177.32 1j4e h ILE 248 N 0.27 0.56 -0.13 3.13 -0.00 -1.24 0.09 117.51 120.19 1j4e h ILE 248 Ca 0.09 -1.31 -0.20 0.00 -0.00 0.00 0.00 64.86 63.43 1j4e h ILE 248 Cb 0.26 1.91 0.00 0.00 -0.00 0.00 0.00 36.82 38.98 1j4e h ILE 248 CO -0.00 0.25 -0.74 0.00 -0.00 0.00 0.00 178.15 177.66 1j4e h ALA 249 N 1.74 0.46 -0.16 0.16 0.00 -0.60 -1.27 119.26 119.59 1j4e h ALA 249 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1j4e h ALA 249 Cb 0.89 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1j4e h ALA 249 CO 0.03 0.72 -0.27 1.98 0.00 0.00 0.00 179.25 181.71 1j4e h MET 250 N 0.42 0.47 -0.36 0.00 1.85 -0.42 -1.16 114.93 115.74 1j4e h MET 250 Ca -0.04 -0.29 -0.05 0.00 -0.61 0.00 0.00 59.70 58.71 1j4e h MET 250 Cb 1.34 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.38 1j4e h MET 250 CO 0.14 0.88 -0.01 0.00 -0.40 0.00 0.00 176.91 177.52 1j4e h ALA 251 N 0.58 1.32 0.12 0.39 0.00 -1.00 -1.01 119.26 119.67 1j4e h ALA 251 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1j4e h ALA 251 Cb 0.85 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1j4e h ALA 251 CO 0.06 0.46 -0.06 1.15 0.00 0.00 0.00 179.25 180.86 1j4e h THR 252 N 0.53 1.05 -0.10 0.00 2.02 -1.13 -1.77 112.91 113.51 1j4e h THR 252 Ca 0.11 -1.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1j4e h THR 252 Cb 0.36 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1j4e h THR 252 CO 0.01 0.25 -0.21 0.58 0.37 0.00 0.00 175.52 176.53 1j4e h VAL 253 N -0.73 1.20 0.04 3.16 2.07 -1.17 -2.11 116.25 118.71 1j4e h VAL 253 Ca -0.02 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1j4e h VAL 253 Cb 0.54 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1j4e h VAL 253 CO 0.03 0.27 -0.02 0.74 0.02 0.00 0.00 177.57 178.61 1j4e h THR 254 N 0.15 1.23 -0.92 2.57 2.02 -1.20 -0.08 112.91 116.67 1j4e h THR 254 Ca 0.03 -0.87 0.12 0.00 0.77 0.00 0.00 66.41 66.45 1j4e h THR 254 Cb 0.46 1.81 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 1j4e h THR 254 CO 0.03 0.22 0.59 0.00 0.37 0.00 0.00 175.52 176.73 1j4e h ALA 255 N 0.50 1.67 -0.11 6.16 0.00 -1.05 -1.58 119.26 124.84 1j4e h ALA 255 Ca -0.01 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1j4e h ALA 255 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j4e h ALA 255 CO 0.01 0.11 -0.74 -0.07 0.00 0.00 0.00 179.25 178.55 1j4e h LEU 256 N 0.85 0.67 -2.20 0.00 3.38 -1.22 -3.18 115.31 113.61 1j4e h LEU 256 Ca 0.45 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1j4e h LEU 256 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1j4e h LEU 256 CO -0.21 1.20 0.00 0.03 0.09 0.00 0.00 178.44 179.54 1j4e h ARG 257 N 0.39 0.00 -0.27 1.13 3.08 0.02 -1.82 114.38 116.91 1j4e h ARG 257 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1j4e h ARG 257 Cb 1.34 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.34 1j4e h ARG 257 CO 0.14 0.00 -0.04 2.89 -1.07 0.00 0.00 179.97 181.88 1j4e n ARG 258 N -2.95 2.22 0.00 0.04 1.85 -1.12 -4.70 116.66 112.00 1j4e n ARG 258 Ca -0.01 -2.99 0.00 0.00 -1.00 0.00 0.00 57.85 53.85 1j4e n ARG 258 Cb 0.15 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 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 -0.91 0.00 -3.09 8.89 -2.24 -1.10 -4.96 114.28 110.87 1j4e n THR 259 Ca 0.26 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.61 1j4e n THR 259 Cb 0.93 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 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 4.77 0.33 2.28 1.01 -0.70 -4.76 120.40 122.33 1j4e s VAL 260 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1j4e s VAL 260 Cb 0.00 -4.33 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1j4e s VAL 260 CO 0.00 -0.84 1.21 -2.65 0.00 0.00 0.00 175.10 172.82 1j4e n PRO 261 N 6.44 1.89 0.17 2.72 -0.02 -1.26 -4.83 135.00 140.10 1j4e n PRO 261 Ca -0.04 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1j4e n PRO 261 Cb 0.46 -2.19 0.55 0.00 -0.02 0.00 0.00 33.50 32.30 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 0.57 0.13 0.25 0.52 -0.04 -1.26 -1.71 135.00 133.46 1j4e n PRO 262 Ca 0.06 0.63 0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1j4e n PRO 262 Cb 0.35 -2.00 0.56 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.81 1.02 -2.19 0.55 0.00 -1.91 -3.43 119.26 115.10 1j4e h ALA 263 Ca 0.00 -0.10 -0.55 0.00 0.00 0.00 0.00 54.91 54.26 1j4e h ALA 263 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1j4e h ALA 263 CO 0.00 0.14 1.23 0.08 0.00 0.00 0.00 179.25 180.70 1j4e s VAL 264 N -3.66 3.29 0.46 0.00 1.01 -0.69 -3.50 120.40 117.30 1j4e s VAL 264 Ca 0.01 0.33 0.20 0.00 0.00 0.00 0.00 61.98 62.53 1j4e s VAL 264 Cb 0.10 -3.26 0.39 0.00 0.00 0.00 0.00 36.38 33.60 1j4e s VAL 264 CO 0.59 -0.08 1.91 0.74 0.00 0.00 0.00 175.10 178.26 1j4e h THR 265 N 6.02 0.71 -1.24 3.92 2.02 -1.67 -3.45 112.91 119.22 1j4e h THR 265 Ca -0.42 -0.10 0.30 0.00 0.77 0.00 0.00 66.41 66.96 1j4e h THR 265 Cb 1.21 0.40 -0.20 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 -3.87 -0.25 -0.19 2.16 0.00 -1.26 -3.51 107.32 100.40 1j4e s GLY 266 Ca -0.07 1.74 -0.01 0.00 0.00 0.00 0.00 44.72 46.38 1j4e s GLY 266 CO 0.77 0.57 -0.14 0.14 0.00 0.00 0.00 173.10 174.44 1j4e s VAL 267 N -2.21 2.60 -0.49 1.40 1.01 0.36 -1.64 120.40 121.43 1j4e s VAL 267 Ca 0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1j4e s VAL 267 Cb -0.01 -2.13 0.13 0.00 0.00 0.00 0.00 36.38 34.37 1j4e s VAL 267 CO -0.03 0.50 0.31 0.42 0.00 0.00 0.00 175.10 176.29 1j4e s THR 268 N 1.25 3.60 0.25 3.92 -4.23 0.32 -1.19 115.64 119.56 1j4e s THR 268 Ca 0.03 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 57.95 1j4e s THR 268 Cb -0.14 -3.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.19 1j4e s THR 268 CO -0.07 -0.77 1.54 -0.36 -0.54 0.00 0.00 174.62 174.42 1j4e s PHE 269 N 0.80 2.92 0.07 3.99 0.08 -0.50 -4.07 117.98 121.26 1j4e s PHE 269 Ca 0.11 0.83 -0.19 0.00 0.12 0.00 0.00 56.93 57.80 1j4e s PHE 269 Cb -0.22 -3.95 -0.07 0.00 -0.57 0.00 0.00 43.02 38.21 1j4e s PHE 269 CO -0.04 -3.24 0.56 -0.48 -0.10 0.00 0.00 175.22 171.93 1j4e s LEU 270 N -0.11 4.52 0.25 -0.37 0.05 -0.88 -1.94 118.68 120.20 1j4e s LEU 270 Ca 0.63 1.24 0.25 0.00 0.05 0.00 0.00 54.13 56.30 1j4e s LEU 270 Cb -0.45 -2.89 0.58 0.00 -2.05 0.00 0.00 46.19 41.38 1j4e s LEU 270 CO 0.43 0.27 1.63 0.77 -0.55 0.00 0.00 176.35 178.90 1j4e h SER 271 N 4.51 0.00 -4.40 1.48 4.64 -1.90 -3.39 113.55 114.48 1j4e h SER 271 Ca -0.50 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.74 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 0.63 0.02 -0.12 0.61 -0.87 0.00 0.00 176.83 177.10 1j4e n GLY 272 N 1.26 -0.09 1.05 -0.77 0.00 -1.26 -0.94 105.19 104.44 1j4e n GLY 272 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.45 3.25 3.73 -0.02 0.00 -1.26 -4.82 105.19 105.63 1j4e n GLY 273 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.57 1.98 0.71 1.61 -0.21 -0.11 -5.01 119.66 118.06 1j4e s GLN 274 Ca 0.00 1.41 -0.11 0.00 0.02 0.00 0.00 55.36 56.68 1j4e s GLN 274 Cb 0.00 -1.85 0.02 0.00 1.00 0.00 0.00 33.01 32.18 1j4e s GLN 274 CO 0.00 -1.89 1.10 -1.54 -2.12 0.00 0.00 175.29 170.84 1j4e s SER 275 N -2.82 5.38 0.20 5.90 1.04 -1.26 -4.72 113.70 117.42 1j4e s SER 275 Ca 0.66 1.12 -0.10 0.00 0.48 0.00 0.00 55.95 58.11 1j4e s SER 275 Cb -0.21 -1.90 0.24 0.00 0.10 0.00 0.00 66.02 64.25 1j4e s SER 275 CO 0.52 -1.38 1.77 -0.33 0.98 0.00 0.00 173.24 174.80 1j4e h GLU 276 N -0.69 0.51 -0.37 4.02 5.08 -1.88 -0.31 114.58 120.94 1j4e h GLU 276 Ca -0.45 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1j4e h GLU 276 Cb 1.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1j4e h GLU 276 CO 0.64 0.34 -0.15 1.49 -1.00 0.00 0.00 179.01 180.32 1j4e h GLU 277 N 0.53 0.76 0.22 2.33 4.57 -1.93 -2.76 114.58 118.30 1j4e h GLU 277 Ca 0.29 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1j4e h GLU 277 Cb 0.27 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1j4e h GLU 277 CO -0.23 0.93 -0.11 1.49 -1.18 0.00 0.00 179.01 179.91 1j4e h GLU 278 N 0.55 -0.30 -0.75 1.92 4.81 -1.78 -0.37 114.58 118.66 1j4e h GLU 278 Ca 0.09 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 1j4e h GLU 278 Cb 0.69 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1j4e h GLU 278 CO 0.05 -0.20 0.49 0.00 -0.73 0.00 0.00 179.01 178.63 1j4e h ALA 279 N 0.48 1.91 -0.12 2.92 0.00 -1.09 -0.39 119.26 122.97 1j4e h ALA 279 Ca -0.03 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1j4e h ALA 279 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j4e h ALA 279 CO 0.04 -0.08 -0.39 0.77 0.00 0.00 0.00 179.25 179.59 1j4e h SER 280 N 0.58 0.55 -0.47 0.00 0.02 -1.13 -1.89 113.55 111.21 1j4e h SER 280 Ca 0.35 -0.60 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1j4e h SER 280 Cb 0.59 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1j4e h SER 280 CO -0.13 1.06 0.19 0.40 -1.14 0.00 0.00 176.83 177.21 1j4e h ILE 281 N 0.07 1.21 -0.28 3.27 2.04 -0.31 -1.65 117.51 121.85 1j4e h ILE 281 Ca -0.01 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1j4e h ILE 281 Cb 1.01 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1j4e h ILE 281 CO 0.08 0.24 0.05 0.78 0.00 0.00 0.00 178.15 179.30 1j4e h ASN 282 N 0.62 0.45 -0.82 1.72 2.35 -1.15 0.38 115.58 119.13 1j4e h ASN 282 Ca 0.16 -0.25 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1j4e h ASN 282 Cb 0.19 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 1j4e h ASN 282 CO -0.01 0.58 0.54 0.25 -1.65 0.00 0.00 177.43 177.14 1j4e h LEU 283 N 0.29 0.82 -0.36 1.61 6.46 -1.24 0.14 115.31 123.03 1j4e h LEU 283 Ca 0.09 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1j4e h LEU 283 Cb 0.32 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1j4e h LEU 283 CO 0.00 0.55 -0.04 -1.13 -0.62 0.00 0.00 178.44 177.20 1j4e h ASN 284 N 0.94 0.66 -0.65 1.25 -1.24 -0.87 -2.66 115.58 113.01 1j4e h ASN 284 Ca 0.34 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1j4e h ASN 284 Cb 0.15 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 1j4e h ASN 284 CO -0.11 0.84 0.25 0.00 -1.29 0.00 0.00 177.43 177.12 1j4e h ALA 285 N 0.84 1.18 -0.77 1.57 0.00 0.36 -2.71 119.26 119.73 1j4e h ALA 285 Ca 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1j4e h ALA 285 Cb 0.53 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1j4e h ALA 285 CO 0.03 0.59 0.51 0.82 0.00 0.00 0.00 179.25 181.19 1j4e h ILE 286 N 0.97 1.20 0.00 0.00 2.04 -0.63 -0.86 117.51 120.24 1j4e h ILE 286 Ca 0.23 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1j4e h ILE 286 Cb 0.21 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1j4e h ILE 286 CO -0.02 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1j4e n ASN 287 N -4.54 0.00 -0.47 1.72 3.02 -1.02 -2.50 115.26 111.47 1j4e n ASN 287 Ca 0.07 -0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.59 1j4e n ASN 287 Cb 0.02 -0.27 0.04 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.27 1.28 -1.73 3.52 4.76 -0.50 -4.75 118.16 119.46 1j4e n LYS 288 Ca 0.12 -1.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.02 1j4e n LYS 288 Cb 0.20 -1.24 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.35 3.84 -0.09 7.82 0.00 -0.45 -4.85 121.76 126.69 1j4e s ALA 289 Ca 0.15 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 1j4e s ALA 289 Cb 0.11 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 1j4e s ALA 289 CO 0.23 -1.08 1.49 -0.35 0.00 0.00 0.00 175.76 176.05 1j4e n PRO 290 N 4.89 0.71 -3.84 0.00 -0.04 -1.26 -4.72 135.00 130.74 1j4e n PRO 290 Ca 0.17 -0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.08 1j4e n PRO 290 Cb 0.37 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.35 -0.08 1.53 1.43 -1.26 -5.12 118.68 116.54 1j4e s LEU 291 Ca 0.21 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1j4e s LEU 291 Cb 0.09 0.95 -0.04 0.00 0.03 0.00 0.00 46.19 47.22 1j4e s LEU 291 CO -0.00 -0.53 1.34 -0.22 0.23 0.00 0.00 176.35 177.17 1j4e s LEU 292 N -1.96 4.26 -0.38 1.79 0.20 -1.26 -4.99 118.68 116.34 1j4e s LEU 292 Ca -0.07 1.92 -0.08 0.00 0.69 0.00 0.00 54.13 56.59 1j4e s LEU 292 Cb -0.02 -3.55 0.06 0.00 -0.43 0.00 0.00 46.19 42.25 1j4e s LEU 292 CO -0.03 -0.73 0.18 -0.54 -0.29 0.00 0.00 176.35 174.95 1j4e s LYS 293 N 2.93 2.61 0.00 1.98 3.01 -1.26 -4.97 119.74 124.04 1j4e s LYS 293 Ca 0.60 -1.30 0.31 0.00 -1.01 0.00 0.00 55.97 54.57 1j4e s LYS 293 Cb -0.27 -3.62 1.68 0.00 -1.01 0.00 0.00 37.83 34.61 1j4e s LYS 293 CO 0.22 -0.80 2.11 -0.35 0.51 0.00 0.00 175.35 177.04 1j4e n PRO 294 N 4.87 0.92 -4.23 -1.68 -0.04 -1.26 -4.87 135.00 128.71 1j4e n PRO 294 Ca -0.11 -0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.10 1j4e n PRO 294 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.16 1.16 0.32 0.54 0.51 -1.26 -4.93 118.94 113.12 1j4e s TRP 295 Ca 0.41 -0.84 -0.29 0.00 -2.12 0.00 0.00 56.10 53.26 1j4e s TRP 295 Cb 0.21 -0.62 -0.11 0.00 -0.81 0.00 0.00 33.47 32.14 1j4e s TRP 295 CO 0.40 -0.02 1.45 0.00 -0.51 0.00 0.00 176.95 178.26 1j4e s ALA 296 N -3.46 3.60 -0.38 0.98 0.00 -1.23 -4.84 121.76 116.43 1j4e s ALA 296 Ca 0.17 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.61 1j4e s ALA 296 Cb 0.04 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.69 1j4e s ALA 296 CO -0.00 -0.88 0.10 -0.51 0.00 0.00 0.00 175.76 174.47 1j4e s LEU 297 N -1.40 4.56 0.00 0.00 1.02 -1.26 -0.49 118.68 121.12 1j4e s LEU 297 Ca 0.55 -2.34 0.00 0.00 0.02 0.00 0.00 54.13 52.36 1j4e s LEU 297 Cb -0.44 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.17 1j4e s LEU 297 CO 0.54 -0.35 0.00 1.07 0.02 0.00 0.00 176.35 177.63 1j4e n THR 298 N 4.01 0.00 -4.42 5.49 5.66 -0.33 -4.63 114.28 120.05 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 0.40 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.33 2.31 -0.41 1.09 -0.71 -1.26 -1.42 117.98 117.91 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 -1.14 0.24 0.00 -1.21 0.00 0.00 43.02 40.90 1j4e s PHE 299 CO 0.00 0.50 0.55 0.45 -1.34 0.00 0.00 175.22 175.38 1j4e n SER 300 N 0.27 -0.40 -4.86 1.98 2.88 -0.82 0.51 113.62 113.17 1j4e n SER 300 Ca -0.13 -2.73 -0.35 0.00 -1.33 0.00 0.00 58.87 54.33 1j4e n SER 300 Cb 0.56 -0.25 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.73 3.59 0.00 0.66 2.02 -0.88 -4.40 117.35 117.62 1j4e s TYR 301 Ca 0.34 0.80 0.00 0.00 -0.37 0.00 0.00 57.07 57.84 1j4e s TYR 301 Cb 0.16 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1j4e s TYR 301 CO -0.14 0.53 0.00 0.41 -1.57 0.00 0.00 175.55 174.78 1j4e n GLY 302 N 0.98 0.02 0.36 0.71 0.00 -1.26 -0.16 105.19 105.84 1j4e n GLY 302 Ca -0.08 0.00 -0.01 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 1.13 0.00 1.61 -0.00 -1.96 -1.58 114.38 113.58 1j4e h ARG 303 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1j4e h ARG 303 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 29.97 29.73 1j4e h ARG 303 CO 0.00 0.77 0.00 0.00 0.00 0.00 0.00 179.97 180.74 1j4e n ALA 304 N -2.41 1.16 -0.00 0.04 0.00 -1.26 -0.13 120.51 117.91 1j4e n ALA 304 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j4e n ALA 304 Cb 0.05 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.34 0.00 -0.01 0.00 7.94 -0.68 -4.59 117.00 118.33 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 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 1j4e n LEU 305 CO 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 177.39 176.25 1j4e n GLN 306 N -1.64 2.40 -0.00 1.96 6.02 -0.50 -4.56 117.38 121.07 1j4e n GLN 306 Ca -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 1j4e n GLN 306 Cb 0.14 -1.16 -0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 1.97 -0.42 -0.85 -1.58 0.00 -0.79 0.83 119.26 118.42 1j4e h ALA 307 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j4e h ALA 307 Cb 0.33 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1j4e h ALA 307 CO 0.00 -0.43 0.53 0.77 0.00 0.00 0.00 179.25 180.13 1j4e h SER 308 N -0.02 1.01 0.16 0.00 0.02 -1.87 -2.29 113.55 110.56 1j4e h SER 308 Ca 0.00 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1j4e h SER 308 Cb 0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1j4e h SER 308 CO -0.02 0.76 -0.21 0.00 -1.14 0.00 0.00 176.83 176.22 1j4e h ALA 309 N 1.29 -0.39 -0.64 3.77 0.00 -1.74 0.61 119.26 122.16 1j4e h ALA 309 Ca 0.31 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.26 1j4e h ALA 309 Cb -0.08 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1j4e h ALA 309 CO -0.06 -0.75 0.29 1.25 0.00 0.00 0.00 179.25 179.98 1j4e h LEU 310 N -0.42 0.35 -0.70 0.00 5.85 -0.67 0.75 115.31 120.47 1j4e h LEU 310 Ca 0.01 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1j4e h LEU 310 Cb 0.42 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1j4e h LEU 310 CO -0.08 0.21 0.07 0.50 -0.34 0.00 0.00 178.44 178.80 1j4e h LYS 311 N 0.51 1.08 0.00 1.25 3.64 -0.86 -2.09 116.57 120.10 1j4e h LYS 311 Ca 0.31 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1j4e h LYS 311 Cb 0.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1j4e h LYS 311 CO -0.27 1.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1j4e n ALA 312 N -2.47 1.98 -0.01 5.00 0.00 0.21 -3.32 120.51 121.90 1j4e n ALA 312 Ca 0.04 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1j4e n ALA 312 Cb 0.31 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 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 0.39 0.00 0.00 7.01 -0.32 -3.39 115.95 119.65 1j4e h TRP 313 Ca 0.00 -0.29 0.00 0.00 2.11 0.00 0.00 58.89 60.71 1j4e h TRP 313 Cb 0.50 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1j4e h TRP 313 CO 0.00 1.57 0.00 0.41 -2.79 0.00 0.00 178.44 177.63 1j4e n GLY 314 N 1.74 0.00 0.56 2.65 0.00 -0.84 -1.15 105.19 108.16 1j4e n GLY 314 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.12 0.57 3.64 -0.02 0.00 -1.26 -4.81 105.19 103.20 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 -0.81 4.17 0.52 1.61 -0.14 -0.30 -4.94 119.74 119.86 1j4e s LYS 316 Ca 0.00 0.88 0.27 0.00 -1.36 0.00 0.00 55.97 55.75 1j4e s LYS 316 Cb 0.00 -3.65 1.40 0.00 -1.68 0.00 0.00 37.83 33.90 1j4e s LYS 316 CO 0.00 -0.50 1.95 0.87 -0.76 0.00 0.00 175.35 176.92 1j4e h LYS 317 N 7.71 0.03 0.00 1.68 1.57 -1.97 0.20 116.57 125.79 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 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1j4e h LYS 317 CO 0.86 0.02 0.00 -0.85 -0.57 0.00 0.00 179.45 178.91 1j4e n GLU 318 N -4.35 0.38 -0.05 3.15 0.00 -1.26 -2.45 120.64 116.07 1j4e n GLU 318 Ca 0.13 0.07 0.09 0.00 0.00 0.00 0.00 57.16 57.45 1j4e n GLU 318 Cb 0.72 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.76 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 -1.15 2.68 -0.37 -1.84 3.02 0.69 -4.69 115.26 113.60 1j4e n ASN 319 Ca 0.10 -1.80 -0.10 0.00 -0.03 0.00 0.00 54.58 52.75 1j4e n ASN 319 Cb 0.10 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 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 3.54 -1.97 0.10 3.41 5.85 -1.60 0.15 115.31 124.78 1j4e h LEU 320 Ca 0.00 0.30 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1j4e h LEU 320 Cb 0.78 0.87 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 1j4e h LEU 320 CO 0.00 -0.22 -0.34 0.11 -0.34 0.00 0.00 178.44 177.65 1j4e h LYS 321 N -0.02 -0.53 -0.88 1.25 6.56 -1.86 0.19 116.57 121.27 1j4e h LYS 321 Ca 0.14 0.04 0.09 0.00 -1.06 0.00 0.00 60.65 59.86 1j4e h LYS 321 Cb 0.39 0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 32.09 1j4e h LYS 321 CO -0.84 -0.35 0.53 0.00 -2.06 0.00 0.00 179.45 176.73 1j4e h ALA 322 N 0.09 1.27 -0.15 3.86 0.00 -1.71 -0.98 119.26 121.65 1j4e h ALA 322 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j4e h ALA 322 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j4e h ALA 322 CO -0.21 0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.26 1j4e h ALA 323 N 1.46 0.20 -0.34 0.00 0.00 -0.13 -2.91 119.26 117.55 1j4e h ALA 323 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1j4e h ALA 323 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1j4e h ALA 323 CO -0.23 -0.16 0.17 1.96 0.00 0.00 0.00 179.25 180.98 1j4e h GLN 324 N 0.04 0.46 -0.51 0.00 4.20 -0.04 -2.02 115.11 117.23 1j4e h GLN 324 Ca 0.05 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1j4e h GLN 324 Cb 0.27 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1j4e h GLN 324 CO 0.00 0.36 0.12 1.49 -0.67 0.00 0.00 178.83 180.13 1j4e h GLU 325 N 0.47 0.78 -0.33 1.46 4.57 -1.01 -0.59 114.58 119.93 1j4e h GLU 325 Ca 0.12 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1j4e h GLU 325 Cb 0.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1j4e h GLU 325 CO -0.02 0.71 0.10 0.93 -1.18 0.00 0.00 179.01 179.55 1j4e h GLU 326 N 0.75 0.51 0.07 1.92 4.39 -1.21 -0.63 114.58 120.37 1j4e h GLU 326 Ca 0.17 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1j4e h GLU 326 Cb 0.28 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1j4e h GLU 326 CO -0.00 0.54 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.44 1j4e h TYR 327 N 0.37 -0.09 -0.15 4.33 3.20 -1.34 -1.54 116.97 121.76 1j4e h TYR 327 Ca 0.11 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1j4e h TYR 327 Cb 0.24 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1j4e h TYR 327 CO 0.01 0.04 0.12 0.28 -1.64 0.00 0.00 178.16 176.96 1j4e h VAL 328 N -0.19 0.85 0.02 1.81 2.07 -1.04 0.16 116.25 119.92 1j4e h VAL 328 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1j4e h VAL 328 Cb 0.16 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1j4e h VAL 328 CO 0.02 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.10 1j4e h LYS 329 N 0.00 -0.02 -0.43 1.57 1.63 -0.42 -2.30 116.57 116.59 1j4e h LYS 329 Ca 0.07 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 1j4e h LYS 329 Cb 0.30 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1j4e h LYS 329 CO -0.00 0.41 -0.13 0.00 -3.45 0.00 0.00 179.45 176.29 1j4e h ARG 330 N -0.47 0.85 -0.80 1.90 2.47 -0.48 -1.87 114.38 115.99 1j4e h ARG 330 Ca -0.00 -0.34 0.02 0.00 -1.26 0.00 0.00 59.98 58.41 1j4e h ARG 330 Cb 0.45 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 1j4e h ARG 330 CO 0.00 0.97 0.52 0.00 0.56 0.00 0.00 179.97 182.02 1j4e h ALA 331 N 0.85 1.04 -0.41 0.04 0.00 -0.77 0.62 119.26 120.64 1j4e h ALA 331 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1j4e h ALA 331 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j4e h ALA 331 CO 0.05 0.35 -0.30 -0.07 0.00 0.00 0.00 179.25 179.28 1j4e h LEU 332 N 1.02 0.93 -0.22 0.00 3.38 -1.32 -0.90 115.31 118.21 1j4e h LEU 332 Ca 0.31 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1j4e h LEU 332 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1j4e h LEU 332 CO -0.10 1.16 0.12 0.00 0.09 0.00 0.00 178.44 179.71 1j4e h ALA 333 N 0.89 0.28 -0.01 1.53 0.00 -0.77 -2.36 119.26 118.82 1j4e h ALA 333 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1j4e h ALA 333 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1j4e h ALA 333 CO 0.08 -0.19 -0.45 -0.91 0.00 0.00 0.00 179.25 177.77 1j4e h ASN 334 N 0.25 0.02 -0.58 0.00 2.35 -0.82 -1.16 115.58 115.63 1j4e h ASN 334 Ca 0.08 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1j4e h ASN 334 Cb 0.06 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1j4e h ASN 334 CO -0.01 0.48 0.22 -1.28 -1.65 0.00 0.00 177.43 175.19 1j4e h SER 335 N 0.02 0.85 0.20 5.81 0.87 -0.87 -1.04 113.55 119.37 1j4e h SER 335 Ca -0.00 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.26 1j4e h SER 335 Cb 0.81 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1j4e h SER 335 CO 0.06 0.78 -0.64 -0.07 -0.53 0.00 0.00 176.83 176.42 1j4e h LEU 336 N 0.90 0.49 -1.22 2.23 3.38 -0.90 -3.04 115.31 117.15 1j4e h LEU 336 Ca 0.21 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1j4e h LEU 336 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1j4e h LEU 336 CO -0.01 1.00 -0.30 0.00 0.09 0.00 0.00 178.44 179.22 1j4e h ALA 337 N 1.00 1.35 0.00 1.53 0.00 -0.55 -0.51 119.26 122.09 1j4e h ALA 337 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1j4e h ALA 337 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1j4e h ALA 337 CO 0.11 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1j4e n ALA 338 N -2.48 1.64 0.02 0.00 0.00 -0.46 -1.66 120.51 117.58 1j4e n ALA 338 Ca -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1j4e n ALA 338 Cb 0.38 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.47 0.81 -1.90 0.00 6.02 -0.65 -4.65 117.38 115.52 1j4e n GLN 339 Ca 0.04 -1.00 -0.13 0.00 -0.01 0.00 0.00 57.00 55.90 1j4e n GLN 339 Cb 0.15 -1.03 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 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 -0.13 0.46 0.51 1.08 0.00 -0.66 -4.90 105.19 101.55 1j4e n GLY 340 Ca 0.01 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.40 2.45 -2.63 1.61 5.02 -0.29 -4.92 118.16 117.00 1j4e n LYS 341 Ca -0.15 -2.48 -0.43 0.00 -2.02 0.00 0.00 58.31 53.23 1j4e n LYS 341 Cb 0.54 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.33 3.33 -0.51 2.13 5.04 -1.21 -4.86 117.35 118.94 1j4e s TYR 342 Ca 0.31 1.44 0.04 0.00 -2.44 0.00 0.00 57.07 56.42 1j4e s TYR 342 Cb 0.25 -3.28 0.13 0.00 0.35 0.00 0.00 41.96 39.41 1j4e s TYR 342 CO 0.07 -0.60 0.25 0.95 -1.34 0.00 0.00 175.55 174.89 1j4e s THR 343 N 2.79 2.52 -0.93 4.34 -4.23 -1.26 -4.98 115.64 113.89 1j4e s THR 343 Ca 0.47 -3.25 0.00 0.00 -1.18 0.00 0.00 61.69 57.74 1j4e s THR 343 Cb -0.17 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1j4e s THR 343 CO 0.12 -0.79 0.23 -2.65 -0.54 0.00 0.00 174.62 170.99