#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1j s SER 3 N 0.00 2.89 -0.06 0.00 1.04 -1.26 -1.90 113.70 114.41 1u1j s SER 3 Ca 0.00 -0.79 -0.21 0.00 0.48 0.00 0.00 55.95 55.44 1u1j s SER 3 Cb 0.00 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.98 1u1j s SER 3 CO 0.00 0.06 0.47 -2.28 0.98 0.00 0.00 173.24 172.47 1u1j s HIS 4 N -1.51 -0.41 -0.11 5.02 5.04 -0.15 -0.50 115.29 122.66 1u1j s HIS 4 Ca 0.13 0.76 0.00 0.00 -1.54 0.00 0.00 55.06 54.42 1u1j s HIS 4 Cb -0.08 0.22 0.02 0.00 0.04 0.00 0.00 32.58 32.78 1u1j s HIS 4 CO 0.06 -0.44 -0.09 0.42 -2.34 0.00 0.00 174.74 172.35 1u1j s ILE 5 N -0.97 1.13 0.30 0.89 1.09 -1.18 -3.55 121.20 118.91 1u1j s ILE 5 Ca -0.10 -0.37 0.23 0.00 -1.10 0.00 0.00 60.65 59.30 1u1j s ILE 5 Cb -0.03 -1.11 0.22 0.00 -1.06 0.00 0.00 42.46 40.49 1u1j s ILE 5 CO 0.05 0.38 1.92 -0.37 -0.10 0.00 0.00 174.94 176.82 1u1j h VAL 6 N 6.12 0.72 -1.62 2.92 -1.51 -1.84 -3.37 116.25 117.67 1u1j h VAL 6 Ca -0.31 -0.95 0.32 0.00 -1.23 0.00 0.00 66.70 64.54 1u1j h VAL 6 Cb 1.14 1.59 -0.11 0.00 -2.13 0.00 0.00 31.29 31.79 1u1j h VAL 6 CO 0.44 0.22 0.83 -0.83 -1.23 0.00 0.00 177.57 177.00 1u1j s GLY 7 N -4.26 -0.34 0.04 5.19 0.00 -1.26 -4.80 107.32 101.89 1u1j s GLY 7 Ca -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 44.72 45.13 1u1j s GLY 7 CO 0.63 1.24 0.21 -0.47 0.00 0.00 0.00 173.10 174.71 1u1j s TYR 8 N -2.35 0.03 0.71 1.90 5.04 -1.26 -2.09 117.35 119.33 1u1j s TYR 8 Ca 0.17 -0.22 -0.16 0.00 -2.44 0.00 0.00 57.07 54.42 1u1j s TYR 8 Cb 0.04 -0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1u1j s TYR 8 CO -0.03 -0.43 1.24 -2.14 -1.34 0.00 0.00 175.55 172.84 1u1j s PRO 9 N -2.48 2.22 -0.55 4.97 0.02 -1.26 -4.46 135.00 133.46 1u1j s PRO 9 Ca -0.06 1.86 0.06 0.00 0.02 0.00 0.00 61.00 62.89 1u1j s PRO 9 Cb -0.01 -1.83 0.23 0.00 0.02 0.00 0.00 34.50 32.90 1u1j s PRO 9 CO -0.03 -1.80 0.59 2.89 -0.33 0.00 0.00 177.00 178.32 1u1j n ARG 10 N -2.50 1.59 -3.57 5.54 0.00 -1.26 -4.96 116.66 111.49 1u1j n ARG 10 Ca 0.14 -4.03 -0.15 0.00 -0.00 0.00 0.00 57.85 53.82 1u1j n ARG 10 Cb 0.50 -1.88 -0.06 0.00 -0.00 0.00 0.00 32.46 31.02 1u1j n ARG 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1u1j s GLY 12 N -1.62 -0.45 0.43 2.89 0.00 -1.26 -4.72 107.32 102.59 1u1j s GLY 12 Ca 0.35 0.76 0.17 0.00 0.00 0.00 0.00 44.72 46.00 1u1j s GLY 12 CO -0.09 0.45 1.89 -2.55 0.00 0.00 0.00 173.10 172.80 1u1j h PRO 13 N 2.91 0.38 -0.44 2.90 0.11 -1.99 -1.18 132.00 134.70 1u1j h PRO 13 Ca -0.30 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.47 1u1j h PRO 13 Cb 1.19 -0.09 -0.26 0.00 0.11 0.00 0.00 31.00 31.96 1u1j h PRO 13 CO 0.40 0.25 -0.70 1.63 -0.21 0.00 0.00 178.00 179.37 1u1j n LYS 14 N -4.48 2.74 -3.89 1.05 4.76 -1.26 -4.85 118.16 112.22 1u1j n LYS 14 Ca 0.16 -3.79 -0.30 0.00 -2.87 0.00 0.00 58.31 51.51 1u1j n LYS 14 Cb 0.61 -1.98 0.02 0.00 -1.84 0.00 0.00 35.03 31.84 1u1j n LYS 14 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1u1j n ARG 15 N -0.86 -5.16 -0.15 1.97 1.74 -0.45 -4.88 116.66 108.87 1u1j n ARG 15 Ca 0.33 0.58 -0.03 0.00 -0.77 0.00 0.00 57.85 57.96 1u1j n ARG 15 Cb 0.86 -5.45 0.06 0.00 -1.02 0.00 0.00 32.46 26.91 1u1j n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1u1j h GLU 16 N -1.94 0.17 0.00 5.56 3.07 -1.93 -1.27 114.58 118.23 1u1j h GLU 16 Ca -0.57 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.24 1u1j h GLU 16 Cb 1.37 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1u1j h GLU 16 CO 0.67 0.11 -0.18 1.25 -1.40 0.00 0.00 179.01 179.47 1u1j h LEU 17 N 0.17 0.00 -0.31 1.33 5.85 -1.90 -2.08 115.31 118.37 1u1j h LEU 17 Ca 0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1u1j h LEU 17 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1u1j h LEU 17 CO -0.35 0.18 0.14 0.50 -0.34 0.00 0.00 178.44 178.56 1u1j h LYS 18 N 0.00 0.46 0.00 1.25 3.64 -1.56 -0.60 116.57 119.76 1u1j h LYS 18 Ca -0.00 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 1u1j h LYS 18 Cb 0.35 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1u1j h LYS 18 CO 0.02 0.45 -0.89 0.74 -2.27 0.00 0.00 179.45 177.50 1u1j h PHE 19 N 0.36 0.01 -0.32 1.91 0.04 -1.37 -2.52 116.94 115.05 1u1j h PHE 19 Ca 0.11 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1u1j h PHE 19 Cb 0.15 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1u1j h PHE 19 CO -0.01 0.89 -0.07 0.00 -0.60 0.00 0.00 178.31 178.51 1u1j h ALA 20 N 1.11 0.44 0.49 2.45 0.00 -1.28 0.32 119.26 122.79 1u1j h ALA 20 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1u1j h ALA 20 Cb 1.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1u1j h ALA 20 CO 0.12 0.27 -0.24 -0.07 0.00 0.00 0.00 179.25 179.33 1u1j h LEU 21 N 0.39 -0.56 -0.94 0.00 3.38 -1.13 0.21 115.31 116.66 1u1j h LEU 21 Ca 0.08 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1u1j h LEU 21 Cb 0.56 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1u1j h LEU 21 CO 0.03 -0.33 0.60 -0.33 0.09 0.00 0.00 178.44 178.50 1u1j h GLU 22 N -0.75 1.09 0.09 1.13 5.08 -1.43 0.71 114.58 120.50 1u1j h GLU 22 Ca -0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1u1j h GLU 22 Cb 0.55 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1u1j h GLU 22 CO 0.11 0.72 -0.04 1.03 -1.00 0.00 0.00 179.01 179.83 1u1j h SER 23 N 1.12 -0.11 -0.46 1.42 0.87 -0.20 -1.20 113.55 115.00 1u1j h SER 23 Ca 0.39 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1u1j h SER 23 Cb 0.10 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1u1j h SER 23 CO -0.15 -0.04 0.25 0.15 -0.53 0.00 0.00 176.83 176.51 1u1j h PHE 24 N -0.17 0.46 -0.08 2.24 3.57 -0.41 -1.74 116.94 120.82 1u1j h PHE 24 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1u1j h PHE 24 Cb 0.13 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1u1j h PHE 24 CO -0.06 0.24 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.75 1u1j h TRP 25 N 0.49 0.12 0.05 0.41 6.55 -0.61 -2.61 115.95 120.35 1u1j h TRP 25 Ca 0.20 -0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.79 1u1j h TRP 25 Cb 0.07 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 1u1j h TRP 25 CO -0.09 0.15 -1.14 -0.44 -1.05 0.00 0.00 178.44 175.87 1u1j h ASP 26 N 0.12 0.16 0.00 -3.49 3.32 -0.78 -3.48 116.42 112.27 1u1j h ASP 26 Ca 0.03 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1u1j h ASP 26 Cb 0.13 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1u1j h ASP 26 CO 0.00 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1u1j n GLY 27 N 1.44 1.01 0.00 2.75 0.00 -0.69 -4.98 105.19 104.72 1u1j n GLY 27 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1u1j n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u1j n LYS 28 N -1.10 0.94 -3.75 1.61 5.02 -0.98 -4.83 118.16 115.08 1u1j n LYS 28 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1u1j n LYS 28 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1u1j n LYS 28 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1u1j s SER 29 N -1.77 -0.31 0.46 4.39 1.04 -1.25 -4.97 113.70 111.30 1u1j s SER 29 Ca 0.34 -0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1u1j s SER 29 Cb 0.16 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.94 1u1j s SER 29 CO 0.26 -1.17 0.52 0.42 0.98 0.00 0.00 173.24 174.24 1u1j s THR 30 N -3.88 2.55 0.23 2.02 -4.23 -1.26 -4.61 115.64 106.46 1u1j s THR 30 Ca 0.09 -1.19 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 1u1j s THR 30 Cb -0.03 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.25 1u1j s THR 30 CO 0.00 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.89 1u1j h ALA 31 N 0.72 1.03 -0.47 3.99 0.00 -2.00 -1.71 119.26 120.82 1u1j h ALA 31 Ca -0.38 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1u1j h ALA 31 Cb 1.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1u1j h ALA 31 CO 0.50 0.07 0.23 0.93 0.00 0.00 0.00 179.25 180.98 1u1j h GLU 32 N 0.73 0.65 -0.21 0.00 5.08 -1.99 -1.28 114.58 117.56 1u1j h GLU 32 Ca 0.35 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1u1j h GLU 32 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1u1j h GLU 32 CO -0.22 0.50 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.60 1u1j h ASP 33 N 0.66 0.40 0.11 1.42 3.32 -1.71 -1.96 116.42 118.65 1u1j h ASP 33 Ca 0.17 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1u1j h ASP 33 Cb 0.06 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1u1j h ASP 33 CO -0.02 0.65 -0.06 0.25 -1.72 0.00 0.00 179.24 178.34 1u1j h LEU 34 N 0.36 -0.13 -1.99 1.55 6.46 -0.86 -2.88 115.31 117.81 1u1j h LEU 34 Ca 0.05 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1u1j h LEU 34 Cb 0.63 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1u1j h LEU 34 CO 0.05 0.26 -0.03 1.56 -0.62 0.00 0.00 178.44 179.66 1u1j h GLN 35 N -0.54 0.00 0.13 1.25 1.08 -1.16 -0.53 115.11 115.33 1u1j h GLN 35 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1u1j h GLN 35 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1u1j h GLN 35 CO 0.03 0.03 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.65 1u1j h LYS 36 N 0.00 -0.17 -0.93 1.46 1.63 -1.33 -0.07 116.57 117.16 1u1j h LYS 36 Ca -0.00 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1u1j h LYS 36 Cb 0.05 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.66 1u1j h LYS 36 CO 0.00 0.19 0.58 0.28 -3.45 0.00 0.00 179.45 177.05 1u1j h VAL 37 N -0.56 1.03 0.12 2.00 2.07 -1.19 -1.38 116.25 118.33 1u1j h VAL 37 Ca -0.02 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1u1j h VAL 37 Cb 0.44 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1u1j h VAL 37 CO 0.03 0.19 -0.06 0.28 0.02 0.00 0.00 177.57 178.03 1u1j h SER 38 N 1.03 -0.14 0.21 0.57 0.02 -1.01 -1.92 113.55 112.31 1u1j h SER 38 Ca 0.41 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1u1j h SER 38 Cb 0.23 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1u1j h SER 38 CO -0.19 0.15 -0.13 0.00 -1.14 0.00 0.00 176.83 175.51 1u1j h ALA 39 N 0.41 1.55 -0.04 3.77 0.00 -0.80 -1.73 119.26 122.41 1u1j h ALA 39 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1u1j h ALA 39 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1u1j h ALA 39 CO 0.03 0.16 -0.15 -0.44 0.00 0.00 0.00 179.25 178.85 1u1j h ASP 40 N 0.00 0.19 -0.42 0.00 3.32 -1.14 -2.10 116.42 116.28 1u1j h ASP 40 Ca -0.00 -0.65 0.02 0.00 0.02 0.00 0.00 57.03 56.42 1u1j h ASP 40 Cb 0.27 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1u1j h ASP 40 CO 0.02 0.81 0.23 0.25 -1.72 0.00 0.00 179.24 178.83 1u1j h LEU 41 N -0.41 0.37 -0.45 1.55 5.85 -1.10 -1.95 115.31 119.18 1u1j h LEU 41 Ca -0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1u1j h LEU 41 Cb 0.80 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1u1j h LEU 41 CO 0.03 0.27 0.29 0.03 -0.34 0.00 0.00 178.44 178.71 1u1j h ARG 42 N 0.47 0.57 -0.19 1.25 3.08 -1.36 -1.90 114.38 116.30 1u1j h ARG 42 Ca 0.17 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1u1j h ARG 42 Cb 0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1u1j h ARG 42 CO -0.09 0.38 -0.02 1.03 -1.07 0.00 0.00 179.97 180.19 1u1j h SER 43 N 0.58 -0.13 -0.39 7.04 0.87 -0.96 -1.55 113.55 119.02 1u1j h SER 43 Ca 0.17 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1u1j h SER 43 Cb -0.04 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1u1j h SER 43 CO -0.05 -0.04 0.01 0.77 -0.53 0.00 0.00 176.83 176.99 1u1j h SER 44 N 0.03 0.73 -0.10 6.23 4.64 -1.24 -0.70 113.55 123.14 1u1j h SER 44 Ca 0.09 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1u1j h SER 44 Cb 0.13 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1u1j h SER 44 CO -0.18 0.79 0.03 0.40 -0.87 0.00 0.00 176.83 177.01 1u1j h ILE 45 N 0.72 1.17 0.63 0.95 1.08 -1.06 0.42 117.51 121.41 1u1j h ILE 45 Ca 0.14 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 1u1j h ILE 45 Cb 0.42 1.32 0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1u1j h ILE 45 CO 0.02 0.15 -0.30 -0.50 -0.69 0.00 0.00 178.15 176.82 1u1j h TRP 46 N -0.02 -0.78 -0.89 1.37 6.55 -1.17 -2.83 115.95 118.18 1u1j h TRP 46 Ca 0.03 -0.02 0.14 0.00 0.95 0.00 0.00 58.89 60.00 1u1j h TRP 46 Cb 0.20 0.26 -0.07 0.00 -0.86 0.00 0.00 29.16 28.69 1u1j h TRP 46 CO -0.01 -0.46 0.58 0.87 -1.05 0.00 0.00 178.44 178.37 1u1j h LYS 47 N -0.93 0.68 -0.07 0.49 1.57 -1.15 0.10 116.57 117.26 1u1j h LYS 47 Ca -0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1u1j h LYS 47 Cb 0.67 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1u1j h LYS 47 CO 0.14 0.45 0.00 0.94 -0.57 0.00 0.00 179.45 180.41 1u1j n GLN 48 N -4.56 0.15 0.00 3.15 7.27 0.14 -0.83 117.38 122.68 1u1j n GLN 48 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1u1j n GLN 48 Cb 0.46 -1.04 0.00 0.00 2.41 0.00 0.00 30.24 32.08 1u1j n GLN 48 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1u1j n SER 50 N -0.04 0.00 0.30 1.69 2.88 0.35 -2.69 113.62 116.13 1u1j n SER 50 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1u1j n SER 50 Cb 0.02 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.45 1u1j n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u1j h ALA 51 N 0.00 1.28 0.00 -1.46 0.00 -1.23 -1.30 119.26 116.55 1u1j h ALA 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u1j h ALA 51 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u1j h ALA 51 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1u1j n ALA 52 N -2.22 1.99 -0.14 0.00 0.00 -1.09 -4.88 120.51 114.17 1u1j n ALA 52 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1u1j n ALA 52 Cb 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1u1j n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u1j n GLY 53 N 0.72 0.93 3.68 0.00 0.00 -0.49 -4.86 105.19 105.17 1u1j n GLY 53 Ca 0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1u1j n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1j s THR 54 N -2.00 3.54 -0.07 2.61 2.01 -1.25 -4.75 115.64 115.73 1u1j s THR 54 Ca 0.00 0.84 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1u1j s THR 54 Cb 0.00 -3.54 -0.21 0.00 0.01 0.00 0.00 72.50 68.76 1u1j s THR 54 CO 0.00 -0.03 0.97 0.50 -0.69 0.00 0.00 174.62 175.37 1u1j h LYS 55 N 8.56 -0.05 -4.39 4.92 1.63 -1.89 -3.42 116.57 121.93 1u1j h LYS 55 Ca -0.39 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 58.69 1u1j h LYS 55 Cb 1.18 0.01 -0.27 0.00 -0.60 0.00 0.00 32.23 32.55 1u1j h LYS 55 CO 0.93 0.58 -0.42 -0.06 -3.45 0.00 0.00 179.45 177.03 1u1j s PHE 56 N -3.29 3.33 -0.24 1.91 0.08 0.34 -4.99 117.98 115.12 1u1j s PHE 56 Ca -0.16 -1.44 -0.07 0.00 0.12 0.00 0.00 56.93 55.38 1u1j s PHE 56 Cb -0.00 -3.10 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1u1j s PHE 56 CO 0.61 -0.86 0.07 0.42 -0.10 0.00 0.00 175.22 175.36 1u1j s ILE 57 N 1.47 4.40 0.40 0.64 1.01 -1.26 -3.08 121.20 124.77 1u1j s ILE 57 Ca 0.04 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 1u1j s ILE 57 Cb -0.24 -3.05 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 1u1j s ILE 57 CO 0.03 0.35 1.42 -2.16 0.00 0.00 0.00 174.94 174.58 1u1j s PRO 58 N 1.46 3.99 -0.00 2.79 0.04 -1.26 -0.37 135.00 141.65 1u1j s PRO 58 Ca 0.06 2.43 0.06 0.00 0.04 0.00 0.00 61.00 63.59 1u1j s PRO 58 Cb -0.15 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1u1j s PRO 58 CO 0.04 -0.57 -0.20 0.45 0.04 0.00 0.00 177.00 176.75 1u1j s SER 59 N -0.37 2.37 -0.01 6.66 0.15 -0.18 -4.69 113.70 117.62 1u1j s SER 59 Ca 0.55 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1u1j s SER 59 Cb -0.44 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 1u1j s SER 59 CO 0.58 0.23 0.00 -3.20 1.20 0.00 0.00 173.24 172.05 1u1j n ASN 60 N 2.46 -3.02 0.09 5.45 5.15 -1.26 -0.18 115.26 123.94 1u1j n ASN 60 Ca -0.15 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.82 1u1j n ASN 60 Cb 0.53 -0.53 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1u1j n ASN 60 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1u1j h THR 61 N 0.00 1.00 -4.01 -0.44 1.35 -1.86 -3.45 112.91 105.50 1u1j h THR 61 Ca -0.00 -2.50 -0.53 0.00 -0.55 0.00 0.00 66.41 62.84 1u1j h THR 61 Cb 0.01 2.46 0.09 0.00 -1.73 0.00 0.00 68.15 68.98 1u1j h THR 61 CO 0.00 0.57 0.55 0.12 -0.25 0.00 0.00 175.52 176.51 1u1j s PHE 62 N -2.87 2.63 -0.09 4.73 2.19 -1.26 -4.85 117.98 118.45 1u1j s PHE 62 Ca 0.02 1.46 -0.21 0.00 0.33 0.00 0.00 56.93 58.52 1u1j s PHE 62 Cb 0.08 -3.58 0.05 0.00 -1.31 0.00 0.00 43.02 38.26 1u1j s PHE 62 CO 0.78 -2.12 0.50 0.00 1.83 0.00 0.00 175.22 176.21 1u1j s ALA 63 N -1.42 -1.27 -0.21 11.12 0.00 -1.26 -4.98 121.76 123.73 1u1j s ALA 63 Ca 0.66 1.06 0.19 0.00 0.00 0.00 0.00 51.96 53.87 1u1j s ALA 63 Cb -0.34 -0.29 0.31 0.00 0.00 0.00 0.00 23.12 22.79 1u1j s ALA 63 CO 0.41 -0.29 1.57 0.45 0.00 0.00 0.00 175.76 177.90 1u1j h HIS 64 N 4.14 0.00 0.00 0.00 3.86 -1.95 -3.44 115.15 117.76 1u1j h HIS 64 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1u1j h HIS 64 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1u1j h HIS 64 CO 0.43 0.28 0.00 0.98 0.86 0.00 0.00 177.93 180.48 1u1j n TYR 65 N -3.20 -2.16 -3.64 2.45 4.19 -1.26 -4.87 117.16 108.68 1u1j n TYR 65 Ca 0.02 0.46 -0.15 0.00 3.31 0.00 0.00 57.90 61.54 1u1j n TYR 65 Cb 0.61 1.02 -0.08 0.00 0.49 0.00 0.00 39.34 41.39 1u1j n TYR 65 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1u1j s ASP 66 N -4.42 -0.53 0.31 2.98 2.15 -1.26 -4.01 116.67 111.89 1u1j s ASP 66 Ca 0.00 0.74 0.12 0.00 0.43 0.00 0.00 52.55 53.84 1u1j s ASP 66 Cb 0.00 0.73 0.48 0.00 -0.30 0.00 0.00 42.92 43.83 1u1j s ASP 66 CO 0.00 -0.41 1.67 0.06 -0.17 0.00 0.00 175.17 176.32 1u1j h GLN 67 N 4.07 0.00 0.04 4.34 -0.00 -1.93 -2.06 115.11 119.57 1u1j h GLN 67 Ca -0.28 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.11 1u1j h GLN 67 Cb 1.16 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.65 1u1j h GLN 67 CO 0.30 0.54 -1.07 0.28 -0.00 0.00 0.00 178.83 178.87 1u1j h VAL 68 N 0.00 1.35 -0.16 1.86 2.07 -1.97 -2.61 116.25 116.78 1u1j h VAL 68 Ca -0.01 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.02 1u1j h VAL 68 Cb 0.98 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1u1j h VAL 68 CO 0.07 0.74 -0.09 0.25 0.02 0.00 0.00 177.57 178.56 1u1j h LEU 69 N 0.27 0.23 -0.47 2.57 6.46 -1.75 -0.85 115.31 121.76 1u1j h LEU 69 Ca -0.12 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1u1j h LEU 69 Cb 1.73 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.58 1u1j h LEU 69 CO 0.20 0.35 0.28 0.44 -0.62 0.00 0.00 178.44 179.09 1u1j h ASP 70 N 0.23 0.57 -0.21 1.25 3.32 -1.11 -1.72 116.42 118.75 1u1j h ASP 70 Ca 0.05 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1u1j h ASP 70 Cb 0.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1u1j h ASP 70 CO 0.02 0.47 -0.32 0.71 -1.72 0.00 0.00 179.24 178.40 1u1j h THR 71 N 0.63 1.28 -0.80 0.35 1.35 -1.00 -2.77 112.91 111.95 1u1j h THR 71 Ca 0.17 -1.46 0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1u1j h THR 71 Cb 0.01 1.36 -0.05 0.00 -1.73 0.00 0.00 68.15 67.74 1u1j h THR 71 CO -0.03 0.48 0.52 0.74 -0.25 0.00 0.00 175.52 176.98 1u1j h THR 72 N 0.61 0.97 0.00 6.82 2.02 -0.69 -1.08 112.91 121.55 1u1j h THR 72 Ca 0.07 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1u1j h THR 72 Cb 0.83 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1u1j h THR 72 CO 0.07 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.10 1u1j n ALA 73 N -2.44 2.51 0.00 6.16 0.00 -0.69 -1.39 120.51 124.65 1u1j n ALA 73 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1u1j n ALA 73 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1u1j n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u1j n LEU 75 N 1.04 0.00 -2.38 0.00 4.77 -0.41 -3.45 117.00 116.56 1u1j n LEU 75 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1u1j n LEU 75 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1u1j n LEU 75 CO 0.00 0.00 -0.16 0.61 -1.33 0.00 0.00 177.39 176.51 1u1j n GLY 76 N 0.00 -0.41 2.37 -0.72 0.00 -0.71 -1.45 105.19 104.28 1u1j n GLY 76 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1u1j n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1j n ALA 77 N -2.07 6.54 -2.26 4.61 0.00 -0.49 -4.59 120.51 122.25 1u1j n ALA 77 Ca -0.15 -2.93 -0.40 0.00 0.00 0.00 0.00 53.44 49.96 1u1j n ALA 77 Cb 0.61 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 1u1j n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1u1j s VAL 78 N -1.18 4.61 0.73 0.00 -7.23 -1.26 -4.80 120.40 111.27 1u1j s VAL 78 Ca 0.61 1.65 -0.16 0.00 -1.81 0.00 0.00 61.98 62.27 1u1j s VAL 78 Cb 0.33 -4.12 0.04 0.00 0.56 0.00 0.00 36.38 33.19 1u1j s VAL 78 CO -0.15 0.42 1.24 -2.84 -0.31 0.00 0.00 175.10 173.46 1u1j s PRO 79 N -0.42 2.10 0.19 4.82 0.02 -1.26 -4.94 135.00 135.50 1u1j s PRO 79 Ca 0.38 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 63.17 1u1j s PRO 79 Cb -0.21 -1.81 0.22 0.00 0.02 0.00 0.00 34.50 32.71 1u1j s PRO 79 CO 0.24 -1.90 1.73 -1.35 -0.33 0.00 0.00 177.00 175.39 1u1j h PRO 80 N -0.20 0.30 0.00 5.54 0.11 -1.96 -2.94 132.00 132.86 1u1j h PRO 80 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u1j h PRO 80 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1u1j h PRO 80 CO 0.50 0.20 0.36 0.07 -0.21 0.00 0.00 178.00 178.91 1u1j h ARG 81 N 0.31 0.00 -0.00 1.05 0.11 -2.01 0.14 114.38 113.99 1u1j h ARG 81 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1u1j h ARG 81 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1u1j h ARG 81 CO -0.30 0.00 -0.21 0.66 0.10 0.00 0.00 179.97 180.22 1u1j n TYR 82 N -2.46 0.00 -3.77 4.08 4.01 -1.11 -4.95 117.16 112.96 1u1j n TYR 82 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 1u1j n TYR 82 Cb 0.39 -0.26 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1u1j n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u1j n GLY 83 N 1.39 -0.43 3.76 2.72 0.00 0.50 -4.96 105.19 108.17 1u1j n GLY 83 Ca 0.10 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 1u1j n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1u1j s TYR 84 N -3.42 3.86 -0.60 1.61 5.04 -1.26 -4.98 117.35 117.61 1u1j s TYR 84 Ca 0.41 1.86 0.06 0.00 -2.44 0.00 0.00 57.07 56.95 1u1j s TYR 84 Cb -0.20 -3.04 0.09 0.00 0.35 0.00 0.00 41.96 39.17 1u1j s TYR 84 CO 0.80 0.21 0.88 0.25 -1.34 0.00 0.00 175.55 176.36 1u1j n THR 85 N 1.31 0.46 0.00 4.34 -2.24 -1.26 -5.08 114.28 111.80 1u1j n THR 85 Ca -0.01 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1u1j n THR 85 Cb 0.47 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1u1j n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1j n GLY 86 N 0.18 1.83 0.00 3.38 0.00 -1.26 -5.15 105.19 104.17 1u1j n GLY 86 Ca 0.04 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1u1j n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1j n GLY 87 N 0.80 0.19 3.68 -0.02 0.00 -1.26 -4.90 105.19 103.68 1u1j n GLY 87 Ca 0.00 -1.80 -0.54 0.00 0.00 0.00 0.00 46.02 43.68 1u1j n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u1j n GLU 88 N 0.37 1.51 -2.44 1.61 4.07 -1.26 -4.83 120.64 119.67 1u1j n GLU 88 Ca 0.00 0.55 -0.40 0.00 -0.06 0.00 0.00 57.16 57.24 1u1j n GLU 88 Cb 0.00 -2.32 -0.04 0.00 -0.06 0.00 0.00 31.44 29.02 1u1j n GLU 88 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1j s ILE 89 N 4.03 3.48 0.18 6.31 1.01 0.22 -5.03 121.20 131.40 1u1j s ILE 89 Ca 0.97 1.43 0.01 0.00 0.00 0.00 0.00 60.65 63.06 1u1j s ILE 89 Cb -0.93 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 37.63 1u1j s ILE 89 CO 0.60 0.32 0.03 0.61 0.00 0.00 0.00 174.94 176.50 1u1j n GLY 90 N 1.37 3.86 0.35 6.18 0.00 -1.26 -4.88 105.19 110.81 1u1j n GLY 90 Ca -0.00 -2.14 0.22 0.00 0.00 0.00 0.00 46.02 44.09 1u1j n GLY 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u1j h LEU 91 N 0.00 0.56 0.60 0.99 3.38 -1.99 -2.20 115.31 116.65 1u1j h LEU 91 Ca -0.15 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1u1j h LEU 91 Cb 0.49 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1u1j h LEU 91 CO 0.24 -0.02 -0.39 0.44 0.09 0.00 0.00 178.44 178.79 1u1j h ASP 92 N 0.42 -1.01 -0.26 -0.43 3.32 -1.99 -1.94 116.42 114.54 1u1j h ASP 92 Ca 0.69 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.76 1u1j h ASP 92 Cb 1.52 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 41.35 1u1j h ASP 92 CO -0.52 -0.59 0.04 0.58 -1.72 0.00 0.00 179.24 177.03 1u1j h VAL 93 N -0.94 1.19 0.53 -1.35 2.07 -1.91 -0.96 116.25 114.88 1u1j h VAL 93 Ca -0.08 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1u1j h VAL 93 Cb 0.76 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1u1j h VAL 93 CO 0.07 0.25 -0.25 0.22 0.02 0.00 0.00 177.57 177.87 1u1j h TYR 94 N 0.52 -0.66 0.00 1.57 3.20 -1.34 -2.83 116.97 117.43 1u1j h TYR 94 Ca 0.12 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1u1j h TYR 94 Cb 0.28 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1u1j h TYR 94 CO 0.01 -0.37 -0.01 0.74 -1.64 0.00 0.00 178.16 176.89 1u1j h PHE 95 N -0.81 0.00 0.00 -3.82 0.04 -1.34 -0.01 116.94 111.00 1u1j h PHE 95 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1u1j h PHE 95 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1u1j h PHE 95 CO -0.02 0.01 0.00 0.45 -0.60 0.00 0.00 178.31 178.16 1u1j n SER 96 N -3.11 0.10 0.00 2.17 2.88 -0.37 -0.27 113.62 115.03 1u1j n SER 96 Ca 0.01 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1u1j n SER 96 Cb 0.35 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1u1j n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u1j n ALA 98 N -0.11 0.00 -0.25 -1.46 0.00 -0.02 -0.16 120.51 118.51 1u1j n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u1j n ALA 98 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1u1j n ALA 98 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1u1j n ARG 99 N 0.00 0.25 -1.10 0.00 1.85 0.63 -4.89 116.66 113.40 1u1j n ARG 99 Ca 0.00 -0.67 0.14 0.00 -1.00 0.00 0.00 57.85 56.32 1u1j n ARG 99 Cb 0.00 -0.88 -0.06 0.00 -1.05 0.00 0.00 32.46 30.48 1u1j n ARG 99 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u1j n GLY 100 N -0.12 -2.70 0.00 2.89 0.00 0.78 -4.41 105.19 101.63 1u1j n GLY 100 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1u1j n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u1j n ASN 101 N -3.85 1.67 -0.99 1.61 0.23 -0.73 -4.81 115.26 108.39 1u1j n ASN 101 Ca -0.04 -0.94 0.00 0.00 -0.53 0.00 0.00 54.58 53.07 1u1j n ASN 101 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1u1j n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u1j n ALA 102 N -3.00 1.98 0.00 -2.53 0.00 -1.26 -3.47 120.51 112.23 1u1j n ALA 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u1j n ALA 102 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1u1j n ALA 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u1j n SER 103 N 0.75 0.00 -4.31 0.00 3.41 -1.26 -5.13 113.62 107.08 1u1j n SER 103 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1u1j n SER 103 Cb 0.24 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.03 1u1j n SER 103 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u1j s VAL 104 N -0.60 2.19 0.63 -3.33 1.01 -1.23 -5.13 120.40 113.95 1u1j s VAL 104 Ca 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 1u1j s VAL 104 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1u1j s VAL 104 CO 0.00 0.57 1.08 -2.16 0.00 0.00 0.00 175.10 174.60 1u1j s PRO 105 N -0.36 3.05 0.00 2.72 0.04 -1.26 -1.77 135.00 137.42 1u1j s PRO 105 Ca 0.02 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1u1j s PRO 105 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1u1j s PRO 105 CO 0.02 -1.03 0.00 0.00 0.04 0.00 0.00 177.00 176.02 1u1j n ALA 106 N -2.27 0.00 -2.47 8.56 0.00 -1.26 -4.61 120.51 118.46 1u1j n ALA 106 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1u1j n ALA 106 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1u1j n ALA 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u1j n GLU 108 N 0.00 3.01 0.00 0.00 2.13 -1.26 -4.89 120.64 119.63 1u1j n GLU 108 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1u1j n GLU 108 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1u1j n GLU 108 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1u1j n THR 110 N -0.10 0.00 -2.13 6.31 5.66 -0.26 -1.78 114.28 121.97 1u1j n THR 110 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1u1j n THR 110 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1u1j n THR 110 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1u1j s LYS 111 N -2.00 4.36 -0.60 1.09 2.20 -1.26 -1.02 119.74 122.51 1u1j s LYS 111 Ca 0.00 2.17 -0.22 0.00 -0.36 0.00 0.00 55.97 57.56 1u1j s LYS 111 Cb 0.00 -3.12 0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1u1j s LYS 111 CO 0.00 -0.25 0.89 -0.46 -0.36 0.00 0.00 175.35 175.17 1u1j s TRP 112 N -0.49 2.79 0.00 4.03 -0.11 0.12 -4.80 118.94 120.48 1u1j s TRP 112 Ca 0.54 -0.40 0.00 0.00 1.22 0.00 0.00 56.10 57.45 1u1j s TRP 112 Cb -0.39 -4.09 0.00 0.00 -1.50 0.00 0.00 33.47 27.49 1u1j s TRP 112 CO 0.46 -1.44 0.00 1.19 -4.62 0.00 0.00 176.95 172.54 1u1j n PHE 113 N 7.31 0.00 -1.43 5.86 3.01 -1.26 -2.01 117.46 128.93 1u1j n PHE 113 Ca -0.03 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.17 1u1j n PHE 113 Cb 0.46 0.03 0.11 0.00 -0.01 0.00 0.00 39.48 40.07 1u1j n PHE 113 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1u1j n ASP 114 N 0.70 5.61 -4.91 4.37 5.75 -1.26 -4.97 116.55 121.84 1u1j n ASP 114 Ca 0.00 -3.74 -0.20 0.00 -0.01 0.00 0.00 54.79 50.84 1u1j n ASP 114 Cb 0.00 -0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 39.27 1u1j n ASP 114 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1j s THR 115 N -4.22 2.95 -1.28 2.12 -4.23 -0.85 -4.96 115.64 105.16 1u1j s THR 115 Ca 0.58 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1u1j s THR 115 Cb 0.47 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 71.47 1u1j s THR 115 CO 0.03 -0.03 0.97 0.59 -0.54 0.00 0.00 174.62 175.63 1u1j n ASN 116 N -1.61 1.81 -4.89 3.99 5.03 -1.26 -4.52 115.26 113.81 1u1j n ASN 116 Ca 0.04 -2.15 -0.31 0.00 0.87 0.00 0.00 54.58 53.03 1u1j n ASN 116 Cb 0.61 -0.38 -0.04 0.00 -1.02 0.00 0.00 39.78 38.94 1u1j n ASN 116 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1u1j s TYR 117 N -1.58 3.46 -0.10 3.10 5.04 -1.26 -4.68 117.35 121.33 1u1j s TYR 117 Ca 0.14 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.02 1u1j s TYR 117 Cb 0.10 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.68 1u1j s TYR 117 CO 0.06 0.58 -0.16 -1.01 -1.34 0.00 0.00 175.55 173.68 1u1j s HIS 118 N -1.48 1.97 0.39 4.97 3.76 -0.59 0.12 115.29 124.43 1u1j s HIS 118 Ca 0.34 -0.87 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 1u1j s HIS 118 Cb -0.13 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 1u1j s HIS 118 CO 0.26 -0.43 0.34 1.52 -0.85 0.00 0.00 174.74 175.59 1u1j s TYR 119 N 0.80 2.78 -0.34 1.40 -0.85 -0.19 -4.69 117.35 116.26 1u1j s TYR 119 Ca -0.11 -0.42 -0.14 0.00 -0.52 0.00 0.00 57.07 55.88 1u1j s TYR 119 Cb -0.16 -2.02 -0.02 0.00 0.38 0.00 0.00 41.96 40.15 1u1j s TYR 119 CO 0.01 0.00 0.33 0.42 -1.52 0.00 0.00 175.55 174.79 1u1j s ILE 120 N -2.41 5.20 -0.05 -3.49 -1.09 -1.26 -1.10 121.20 116.99 1u1j s ILE 120 Ca 0.45 0.01 -0.30 0.00 -2.23 0.00 0.00 60.65 58.59 1u1j s ILE 120 Cb -0.04 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1u1j s ILE 120 CO 0.27 -0.05 1.28 0.68 -1.23 0.00 0.00 174.94 175.90 1u1j s VAL 121 N 1.94 4.08 0.44 2.92 -7.23 -0.73 -4.43 120.40 117.38 1u1j s VAL 121 Ca 0.10 1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 61.43 1u1j s VAL 121 Cb -0.17 -3.90 -0.08 0.00 0.56 0.00 0.00 36.38 32.79 1u1j s VAL 121 CO 0.11 -0.02 1.29 -2.84 -0.31 0.00 0.00 175.10 173.33 1u1j s PRO 122 N 2.49 3.77 -0.54 4.82 0.02 -1.26 -4.63 135.00 139.67 1u1j s PRO 122 Ca 0.59 2.10 -0.06 0.00 0.02 0.00 0.00 61.00 63.64 1u1j s PRO 122 Cb -0.26 -2.59 0.14 0.00 0.02 0.00 0.00 34.50 31.80 1u1j s PRO 122 CO 0.22 -0.64 0.39 -1.21 -0.33 0.00 0.00 177.00 175.43 1u1j s GLU 123 N -2.46 2.52 0.17 5.54 2.02 -1.25 -1.24 118.70 123.99 1u1j s GLU 123 Ca 0.61 -2.08 0.05 0.00 0.02 0.00 0.00 54.97 53.57 1u1j s GLU 123 Cb -0.37 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 1u1j s GLU 123 CO 0.46 -1.17 0.17 -0.51 0.02 0.00 0.00 175.26 174.22 1u1j s LEU 124 N 0.76 3.90 0.15 1.80 1.43 -0.49 -4.46 118.68 121.78 1u1j s LEU 124 Ca 0.11 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 1u1j s LEU 124 Cb -0.22 -2.50 0.07 0.00 0.03 0.00 0.00 46.19 43.58 1u1j s LEU 124 CO -0.03 0.06 1.03 -0.83 0.23 0.00 0.00 176.35 176.81 1u1j s GLY 125 N -3.17 -0.10 0.00 -3.19 0.00 -1.26 -0.17 107.32 99.44 1u1j s GLY 125 Ca 0.32 -0.02 0.18 0.00 0.00 0.00 0.00 44.72 45.19 1u1j s GLY 125 CO 0.24 1.08 1.54 -1.05 0.00 0.00 0.00 173.10 174.91 1u1j n PRO 126 N -0.57 0.22 0.01 2.90 -0.02 -1.26 -3.23 135.00 133.03 1u1j n PRO 126 Ca -0.05 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1u1j n PRO 126 Cb 0.60 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.63 1u1j n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u1j n GLU 127 N -1.32 0.08 -2.63 -0.52 1.02 -1.26 -4.95 120.64 111.07 1u1j n GLU 127 Ca 0.08 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1u1j n GLU 127 Cb 0.15 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 1u1j n GLU 127 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u1j s VAL 128 N -3.06 4.19 -0.73 2.62 0.11 -1.20 -5.01 120.40 117.33 1u1j s VAL 128 Ca 0.08 1.86 -0.10 0.00 -2.93 0.00 0.00 61.98 60.89 1u1j s VAL 128 Cb 0.16 -4.19 0.19 0.00 -1.53 0.00 0.00 36.38 31.01 1u1j s VAL 128 CO 0.79 0.30 0.63 0.21 -3.33 0.00 0.00 175.10 173.70 1u1j s ASN 129 N -0.08 6.18 1.19 3.54 2.47 -1.26 -5.00 114.94 121.98 1u1j s ASN 129 Ca 0.48 -2.67 -0.14 0.00 0.42 0.00 0.00 52.86 50.95 1u1j s ASN 129 Cb -0.26 -2.08 0.28 0.00 -1.45 0.00 0.00 41.25 37.73 1u1j s ASN 129 CO 0.32 -0.52 0.85 0.49 -3.72 0.00 0.00 177.10 174.52 1u1j n PHE 130 N 3.91 -1.44 0.00 0.43 3.72 -1.26 -4.81 117.46 118.01 1u1j n PHE 130 Ca 0.09 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1u1j n PHE 130 Cb 0.43 -1.66 0.00 0.00 -0.94 0.00 0.00 39.48 37.31 1u1j n PHE 130 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1u1j n SER 131 N -4.54 0.00 -4.56 4.37 3.41 -0.52 -4.93 113.62 106.84 1u1j n SER 131 Ca 0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.27 1u1j n SER 131 Cb 0.55 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1u1j n SER 131 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1u1j s TYR 132 N -2.00 2.14 -0.59 7.33 6.14 -1.26 -1.73 117.35 127.37 1u1j s TYR 132 Ca 0.00 -0.01 0.13 0.00 0.64 0.00 0.00 57.07 57.82 1u1j s TYR 132 Cb 0.00 -4.39 0.38 0.00 0.42 0.00 0.00 41.96 38.37 1u1j s TYR 132 CO 0.00 -1.95 1.31 0.00 0.64 0.00 0.00 175.55 175.55 1u1j n ALA 133 N 11.17 2.48 -3.49 3.97 0.00 -1.25 -4.84 120.51 128.56 1u1j n ALA 133 Ca 0.29 -1.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.10 1u1j n ALA 133 Cb 0.49 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1u1j n ALA 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u1j s SER 134 N -1.39 -0.81 -0.36 0.00 0.15 -1.22 -0.61 113.70 109.46 1u1j s SER 134 Ca 0.30 1.08 0.04 0.00 0.70 0.00 0.00 55.95 58.07 1u1j s SER 134 Cb 0.20 1.89 0.58 0.00 -1.71 0.00 0.00 66.02 66.98 1u1j s SER 134 CO 0.12 -0.24 1.75 1.41 1.20 0.00 0.00 173.24 177.48 1u1j n HIS 135 N 5.42 2.49 -0.17 3.44 -0.00 -1.26 -4.62 115.22 120.53 1u1j n HIS 135 Ca -0.07 -1.51 -0.05 0.00 -0.00 0.00 0.00 57.72 56.09 1u1j n HIS 135 Cb 0.50 -0.79 0.05 0.00 -0.00 0.00 0.00 29.99 29.75 1u1j n HIS 135 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1u1j h LYS 136 N 1.17 0.50 0.53 -0.41 3.64 -1.97 -1.05 116.57 118.98 1u1j h LYS 136 Ca 0.47 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1u1j h LYS 136 Cb 2.48 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 34.17 1u1j h LYS 136 CO 0.87 0.33 -0.41 0.00 -2.27 0.00 0.00 179.45 177.97 1u1j h ALA 137 N 1.26 -1.15 -0.45 5.00 0.00 -1.97 -0.73 119.26 121.23 1u1j h ALA 137 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1u1j h ALA 137 Cb 0.11 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1u1j h ALA 137 CO -0.14 -1.14 0.03 -0.24 0.00 0.00 0.00 179.25 177.75 1u1j h VAL 138 N -0.91 1.23 -0.29 0.00 3.04 -1.92 -2.09 116.25 115.30 1u1j h VAL 138 Ca -0.07 -0.89 0.04 0.00 -1.01 0.00 0.00 66.70 64.76 1u1j h VAL 138 Cb 0.76 0.86 -0.03 0.00 -2.01 0.00 0.00 31.29 30.86 1u1j h VAL 138 CO 0.02 0.32 0.08 0.78 -1.01 0.00 0.00 177.57 177.75 1u1j h ASN 139 N 0.68 0.07 -0.17 3.17 2.35 -1.07 -0.89 115.58 119.71 1u1j h ASN 139 Ca 0.14 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1u1j h ASN 139 Cb 0.38 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1u1j h ASN 139 CO 0.01 0.07 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.45 1u1j h GLU 140 N 0.20 0.51 -0.50 0.81 5.08 -0.85 -0.20 114.58 119.64 1u1j h GLU 140 Ca 0.13 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1u1j h GLU 140 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1u1j h GLU 140 CO -0.15 0.61 0.09 -0.92 -1.00 0.00 0.00 179.01 177.64 1u1j h TYR 141 N 0.48 0.86 -0.22 4.33 3.20 -0.68 -0.95 116.97 123.98 1u1j h TYR 141 Ca 0.09 -0.11 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 1u1j h TYR 141 Cb 0.45 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1u1j h TYR 141 CO 0.02 0.78 -0.59 0.87 -1.64 0.00 0.00 178.16 177.60 1u1j h LYS 142 N 0.69 0.72 -0.17 1.82 1.57 -0.95 -1.04 116.57 119.22 1u1j h LYS 142 Ca 0.15 -0.48 0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1u1j h LYS 142 Cb 0.37 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1u1j h LYS 142 CO 0.01 1.10 -0.03 1.49 -0.57 0.00 0.00 179.45 181.45 1u1j h GLU 143 N 0.54 0.02 -0.09 3.15 4.81 -0.83 0.15 114.58 122.33 1u1j h GLU 143 Ca 0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1u1j h GLU 143 Cb 1.17 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1u1j h GLU 143 CO 0.12 0.01 -0.42 0.00 -0.73 0.00 0.00 179.01 177.99 1u1j h ALA 144 N 1.16 1.14 -0.23 2.92 0.00 -1.19 -2.54 119.26 120.52 1u1j h ALA 144 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1u1j h ALA 144 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1u1j h ALA 144 CO -0.16 0.58 0.10 -0.22 0.00 0.00 0.00 179.25 179.55 1u1j h LYS 145 N 0.16 0.35 -0.84 0.00 1.63 -0.32 -0.64 116.57 116.90 1u1j h LYS 145 Ca 0.01 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1u1j h LYS 145 Cb 0.81 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.31 1u1j h LYS 145 CO 0.06 0.38 0.50 0.00 -3.45 0.00 0.00 179.45 176.95 1u1j h ALA 146 N 0.94 1.17 0.00 5.00 0.00 -0.49 0.16 119.26 126.04 1u1j h ALA 146 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u1j h ALA 146 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u1j h ALA 146 CO -0.01 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1u1j n LEU 147 N -4.67 0.19 0.00 0.00 4.32 -0.98 -4.86 117.00 110.99 1u1j n LEU 147 Ca 0.13 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.67 1u1j n LEU 147 Cb 0.22 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1u1j n LEU 147 CO 0.29 -0.38 0.00 0.61 -1.22 0.00 0.00 177.39 176.69 1u1j n GLY 148 N -0.21 0.85 3.09 -0.72 0.00 0.57 -5.05 105.19 103.71 1u1j n GLY 148 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1u1j n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1j s VAL 149 N -2.04 2.12 0.08 1.61 0.11 -0.29 -5.00 120.40 116.99 1u1j s VAL 149 Ca 0.00 -1.37 -0.30 0.00 -2.93 0.00 0.00 61.98 57.38 1u1j s VAL 149 Cb 0.00 -2.11 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1u1j s VAL 149 CO 0.00 0.18 1.01 -0.62 -3.33 0.00 0.00 175.10 172.34 1u1j s ASP 150 N 1.18 7.39 0.45 3.54 2.15 -1.26 -3.44 116.67 126.67 1u1j s ASP 150 Ca -0.04 1.82 0.06 0.00 0.43 0.00 0.00 52.55 54.82 1u1j s ASP 150 Cb -0.17 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 1u1j s ASP 150 CO -0.08 -0.19 0.13 0.42 -0.17 0.00 0.00 175.17 175.28 1u1j s THR 151 N 0.36 1.89 -0.38 1.71 -4.23 -1.26 -4.58 115.64 109.16 1u1j s THR 151 Ca 0.50 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1u1j s THR 151 Cb -0.24 -2.70 0.08 0.00 1.34 0.00 0.00 72.50 70.98 1u1j s THR 151 CO 0.30 0.00 0.16 -0.69 -0.54 0.00 0.00 174.62 173.85 1u1j s VAL 152 N -2.71 3.51 0.27 2.29 1.01 0.50 -4.80 120.40 120.46 1u1j s VAL 152 Ca 0.31 -1.64 -0.31 0.00 0.00 0.00 0.00 61.98 60.34 1u1j s VAL 152 Cb 0.04 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 33.10 1u1j s VAL 152 CO 0.17 -0.45 1.55 -2.65 0.00 0.00 0.00 175.10 173.71 1u1j n PRO 153 N 4.71 2.49 -4.06 2.72 -0.02 -1.26 -1.01 135.00 138.57 1u1j n PRO 153 Ca -0.08 0.89 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 1u1j n PRO 153 Cb 0.43 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.13 1u1j n PRO 153 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u1j s VAL 154 N 0.10 3.59 0.07 -1.45 1.01 0.74 -0.20 120.40 124.26 1u1j s VAL 154 Ca 0.67 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1u1j s VAL 154 Cb -0.55 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1u1j s VAL 154 CO 0.47 0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 175.06 1u1j s LEU 155 N 1.18 2.23 -0.16 3.92 1.43 -0.05 -4.77 118.68 122.47 1u1j s LEU 155 Ca 0.02 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 1u1j s LEU 155 Cb -0.14 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 1u1j s LEU 155 CO -0.00 0.07 1.15 -0.69 0.23 0.00 0.00 176.35 177.11 1u1j s VAL 156 N -1.01 4.45 0.39 -1.59 1.01 -1.26 -0.32 120.40 122.07 1u1j s VAL 156 Ca 0.05 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.56 1u1j s VAL 156 Cb -0.09 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 1u1j s VAL 156 CO 0.03 -0.11 0.38 0.61 0.00 0.00 0.00 175.10 176.01 1u1j n GLY 157 N 3.42 -1.97 0.35 4.51 0.00 0.92 -4.75 105.19 107.67 1u1j n GLY 157 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1u1j n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u1j h PRO 158 N 0.65 1.04 0.03 1.61 0.13 -1.93 -2.04 132.00 131.50 1u1j h PRO 158 Ca -0.38 -0.07 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 1u1j h PRO 158 Cb 1.42 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1u1j h PRO 158 CO 0.50 0.69 -1.14 -0.24 -0.23 0.00 0.00 178.00 177.58 1u1j h VAL 159 N 1.07 1.57 -0.39 1.56 3.04 -1.94 -3.05 116.25 118.11 1u1j h VAL 159 Ca 0.29 -3.26 -0.15 0.00 -1.01 0.00 0.00 66.70 62.56 1u1j h VAL 159 Cb -0.12 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 1u1j h VAL 159 CO -0.06 0.91 -0.35 0.28 -1.01 0.00 0.00 177.57 177.34 1u1j h SER 160 N 0.02 0.98 -0.57 3.17 0.02 -1.87 -1.67 113.55 113.63 1u1j h SER 160 Ca -0.07 -0.46 0.09 0.00 -0.84 0.00 0.00 61.79 60.51 1u1j h SER 160 Cb 1.85 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 64.04 1u1j h SER 160 CO 0.14 1.24 0.18 0.22 -1.14 0.00 0.00 176.83 177.47 1u1j h TYR 161 N 0.74 0.31 -0.25 3.45 3.20 -1.42 0.29 116.97 123.30 1u1j h TYR 161 Ca 0.07 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1u1j h TYR 161 Cb 0.95 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1u1j h TYR 161 CO 0.06 0.06 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.50 1u1j h LEU 162 N 0.35 0.50 -2.38 2.82 3.38 -1.41 -2.62 115.31 115.95 1u1j h LEU 162 Ca 0.29 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u1j h LEU 162 Cb 0.37 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1u1j h LEU 162 CO -0.31 0.77 -0.02 -0.07 0.09 0.00 0.00 178.44 178.89 1u1j h LEU 163 N 0.23 0.00 -0.21 1.67 3.38 -0.50 -1.01 115.31 118.86 1u1j h LEU 163 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1u1j h LEU 163 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1u1j h LEU 163 CO 0.03 0.02 -0.45 0.18 0.09 0.00 0.00 178.44 178.31 1u1j n LEU 164 N -3.24 0.77 -4.97 1.67 4.77 0.94 -4.94 117.00 112.00 1u1j n LEU 164 Ca -0.02 -0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.55 1u1j n LEU 164 Cb 0.16 -0.18 0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1u1j n LEU 164 CO 0.24 0.17 0.65 -0.44 -1.33 0.00 0.00 177.39 176.67 1u1j s SER 165 N -2.80 4.03 -0.11 -1.43 0.01 -0.39 -4.58 113.70 108.42 1u1j s SER 165 Ca 0.16 -0.13 -0.09 0.00 1.31 0.00 0.00 55.95 57.21 1u1j s SER 165 Cb 0.18 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.27 1u1j s SER 165 CO 0.64 -2.09 0.29 -0.54 0.41 0.00 0.00 173.24 171.95 1u1j s LYS 166 N -5.36 0.31 0.27 12.44 -0.14 -0.37 -4.93 119.74 121.95 1u1j s LYS 166 Ca 0.68 0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 55.47 1u1j s LYS 166 Cb -0.05 0.06 -0.13 0.00 -1.68 0.00 0.00 37.83 36.03 1u1j s LYS 166 CO 0.47 -0.09 1.38 0.00 -0.76 0.00 0.00 175.35 176.34 1u1j n ALA 167 N 3.46 1.17 -1.35 5.17 0.00 -1.24 -1.39 120.51 126.34 1u1j n ALA 167 Ca -0.18 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1u1j n ALA 167 Cb 0.56 -2.27 0.15 0.00 0.00 0.00 0.00 19.45 17.89 1u1j n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1j s ALA 168 N -0.33 1.45 0.24 0.00 0.00 0.77 -4.69 121.76 119.20 1u1j s ALA 168 Ca 0.65 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 1u1j s ALA 168 Cb -0.63 -3.09 -0.14 0.00 0.00 0.00 0.00 23.12 19.26 1u1j s ALA 168 CO 0.53 -2.47 1.24 1.63 0.00 0.00 0.00 175.76 176.69 1u1j n LYS 169 N -3.92 1.63 0.00 0.00 5.02 -1.26 -2.31 118.16 117.33 1u1j n LYS 169 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1u1j n LYS 169 Cb 0.58 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1u1j n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u1j n GLY 170 N 1.79 2.94 3.53 0.72 0.00 -1.26 -4.98 105.19 107.93 1u1j n GLY 170 Ca 0.12 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1u1j n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u1j n VAL 171 N 0.00 -0.04 -0.72 1.61 0.31 -0.98 -4.81 118.33 113.70 1u1j n VAL 171 Ca 0.00 -0.42 -0.27 0.00 -0.01 0.00 0.00 64.34 63.64 1u1j n VAL 171 Cb 0.00 -1.62 0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1u1j n VAL 171 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1u1j n ASP 172 N 13.21 -3.25 -0.01 4.52 5.75 -1.26 -4.81 116.55 130.70 1u1j n ASP 172 Ca 0.52 0.06 -0.01 0.00 -0.01 0.00 0.00 54.79 55.35 1u1j n ASP 172 Cb 0.29 -0.45 0.26 0.00 -1.03 0.00 0.00 41.12 40.19 1u1j n ASP 172 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1u1j h LYS 173 N -0.72 0.53 0.00 0.11 2.10 -2.02 -3.08 116.57 113.50 1u1j h LYS 173 Ca -0.30 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1u1j h LYS 173 Cb 0.97 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1u1j h LYS 173 CO 0.16 0.61 0.00 0.66 -2.00 0.00 0.00 179.45 178.88 1u1j h SER 174 N 0.50 0.00 -3.11 7.07 4.64 -2.00 -3.46 113.55 117.19 1u1j h SER 174 Ca 0.10 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.85 1u1j h SER 174 Cb 0.42 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.61 1u1j h SER 174 CO 0.02 0.00 0.55 0.33 -0.87 0.00 0.00 176.83 176.86 1u1j n PHE 175 N -2.68 2.26 -4.06 4.77 7.35 -1.17 -4.98 117.46 118.95 1u1j n PHE 175 Ca 0.02 0.51 -0.32 0.00 -0.76 0.00 0.00 57.45 56.90 1u1j n PHE 175 Cb 0.32 -2.43 -0.15 0.00 0.35 0.00 0.00 39.48 37.57 1u1j n PHE 175 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1u1j s GLU 176 N -1.37 2.24 0.30 -4.13 -6.30 -1.26 -5.03 118.70 103.15 1u1j s GLU 176 Ca 0.60 -1.35 0.04 0.00 -2.50 0.00 0.00 54.97 51.76 1u1j s GLU 176 Cb -0.59 -2.90 0.79 0.00 0.00 0.00 0.00 34.13 31.43 1u1j s GLU 176 CO 0.58 -0.58 1.64 -0.07 0.02 0.00 0.00 175.26 176.85 1u1j h LEU 177 N 7.78 0.05 0.00 2.70 3.38 -1.93 -1.14 115.31 126.14 1u1j h LEU 177 Ca -0.19 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u1j h LEU 177 Cb 1.04 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1u1j h LEU 177 CO 0.46 -0.18 0.01 0.18 0.09 0.00 0.00 178.44 179.01 1u1j n LEU 178 N -5.22 0.00 0.00 1.67 4.32 -1.26 -1.90 117.00 114.60 1u1j n LEU 178 Ca 0.24 0.30 0.10 0.00 -0.02 0.00 0.00 56.01 56.62 1u1j n LEU 178 Cb 0.76 -0.30 0.58 0.00 -1.62 0.00 0.00 43.42 42.84 1u1j n LEU 178 CO 0.05 -0.30 0.83 -1.54 -1.22 0.00 0.00 177.39 175.21 1u1j n SER 179 N -1.29 0.00 -0.15 -1.43 3.41 -0.43 -2.92 113.62 110.81 1u1j n SER 179 Ca 0.00 -1.10 0.10 0.00 -0.26 0.00 0.00 58.87 57.61 1u1j n SER 179 Cb 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1u1j n SER 179 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u1j n LEU 180 N -0.86 1.30 -0.31 1.04 4.77 -0.80 -4.51 117.00 117.63 1u1j n LEU 180 Ca 0.15 -0.58 0.17 0.00 -0.03 0.00 0.00 56.01 55.71 1u1j n LEU 180 Cb 0.07 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.51 1u1j n LEU 180 CO 0.11 0.29 1.01 -0.07 -1.33 0.00 0.00 177.39 177.39 1u1j h LEU 181 N 0.74 0.20 -2.30 2.23 3.38 -1.77 0.56 115.31 118.35 1u1j h LEU 181 Ca 0.00 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1u1j h LEU 181 Cb 0.57 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1u1j h LEU 181 CO 0.00 -0.14 -0.04 -0.65 0.09 0.00 0.00 178.44 177.70 1u1j h PRO 182 N 0.26 0.00 0.00 1.13 0.11 -1.86 -1.18 132.00 130.46 1u1j h PRO 182 Ca 0.62 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.45 1u1j h PRO 182 Cb 1.30 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1u1j h PRO 182 CO -0.63 0.04 -1.53 0.87 -0.21 0.00 0.00 178.00 176.54 1u1j h LYS 183 N 0.00 0.00 0.00 1.05 1.57 -0.19 -3.39 116.57 115.62 1u1j h LYS 183 Ca -0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 1u1j h LYS 183 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1u1j h LYS 183 CO 0.01 0.63 -1.80 0.44 -0.57 0.00 0.00 179.45 178.16 1u1j n ILE 184 N -3.13 1.02 -0.30 1.86 -5.35 -1.00 -4.33 119.36 108.13 1u1j n ILE 184 Ca -0.13 -0.70 -0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1u1j n ILE 184 Cb 1.02 -0.52 0.12 0.00 -1.74 0.00 0.00 39.64 38.52 1u1j n ILE 184 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1u1j h LEU 185 N 0.00 0.84 -1.20 7.28 4.07 -1.41 -1.95 115.31 122.93 1u1j h LEU 185 Ca -0.24 0.01 0.12 0.00 0.08 0.00 0.00 57.88 57.85 1u1j h LEU 185 Cb 1.66 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 43.15 1u1j h LEU 185 CO 0.03 0.55 0.58 -0.65 -1.08 0.00 0.00 178.44 177.88 1u1j h PRO 186 N 0.98 0.79 -0.02 1.13 0.11 -1.76 -1.70 132.00 131.53 1u1j h PRO 186 Ca 0.35 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.22 1u1j h PRO 186 Cb 0.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1u1j h PRO 186 CO -0.15 0.52 -0.84 0.82 -0.21 0.00 0.00 178.00 178.14 1u1j h ILE 187 N 0.82 1.44 0.00 4.15 2.04 -1.61 -2.70 117.51 121.65 1u1j h ILE 187 Ca 0.45 -2.43 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 1u1j h ILE 187 Cb 0.56 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1u1j h ILE 187 CO -0.21 0.72 -0.25 1.88 0.00 0.00 0.00 178.15 180.29 1u1j h TYR 188 N 0.18 0.00 -0.09 1.37 -1.99 -0.69 -2.16 116.97 113.59 1u1j h TYR 188 Ca -0.05 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.46 1u1j h TYR 188 Cb 1.45 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.20 1u1j h TYR 188 CO 0.04 0.25 -0.80 0.87 -0.00 0.00 0.00 178.16 178.53 1u1j h LYS 189 N 0.00 0.70 -0.48 4.88 1.57 -1.17 -1.58 116.57 120.48 1u1j h LYS 189 Ca -0.00 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.12 1u1j h LYS 189 Cb 0.49 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1u1j h LYS 189 CO 0.03 1.23 0.20 0.93 -0.57 0.00 0.00 179.45 181.27 1u1j h GLU 190 N 0.38 0.68 0.09 3.15 5.08 -1.16 0.42 114.58 123.23 1u1j h GLU 190 Ca -0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1u1j h GLU 190 Cb 1.44 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1u1j h GLU 190 CO 0.16 0.56 -0.05 0.28 -1.00 0.00 0.00 179.01 178.97 1u1j h VAL 191 N 0.68 1.14 -0.96 3.13 2.07 -1.39 -2.69 116.25 118.22 1u1j h VAL 191 Ca 0.17 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.54 1u1j h VAL 191 Cb 0.13 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1u1j h VAL 191 CO -0.02 0.28 0.62 0.40 0.02 0.00 0.00 177.57 178.88 1u1j h ILE 192 N -0.74 0.99 -0.16 4.57 2.04 -1.03 -0.92 117.51 122.27 1u1j h ILE 192 Ca -0.01 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1u1j h ILE 192 Cb 0.56 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1u1j h ILE 192 CO 0.02 0.19 0.07 0.74 0.00 0.00 0.00 178.15 179.17 1u1j h THR 193 N 1.02 1.14 -0.65 -0.27 2.02 -0.95 -1.62 112.91 113.60 1u1j h THR 193 Ca 0.45 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1u1j h THR 193 Cb 0.35 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1u1j h THR 193 CO -0.20 0.13 0.27 -0.33 0.37 0.00 0.00 175.52 175.76 1u1j h GLU 194 N 0.11 0.94 -0.77 6.66 5.08 -1.08 -1.06 114.58 124.46 1u1j h GLU 194 Ca 0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1u1j h GLU 194 Cb 0.14 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1u1j h GLU 194 CO -0.01 0.76 0.49 -0.07 -1.00 0.00 0.00 179.01 179.18 1u1j h LEU 195 N 0.93 0.90 -0.12 1.33 4.07 -0.85 -1.14 115.31 120.42 1u1j h LEU 195 Ca 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 1u1j h LEU 195 Cb 0.16 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.66 1u1j h LEU 195 CO -0.02 0.68 0.01 0.11 -1.08 0.00 0.00 178.44 178.14 1u1j h LYS 196 N 1.04 0.21 -0.74 1.13 1.57 -0.80 -1.64 116.57 117.34 1u1j h LYS 196 Ca 0.28 -0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.18 1u1j h LYS 196 Cb -0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1u1j h LYS 196 CO -0.06 0.42 0.51 0.00 -0.57 0.00 0.00 179.45 179.75 1u1j h ALA 197 N 0.78 2.38 0.00 3.86 0.00 -0.83 0.36 119.26 125.81 1u1j h ALA 197 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u1j h ALA 197 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1u1j h ALA 197 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.66 1u1j n ALA 198 N -2.59 2.03 0.00 0.00 0.00 -0.47 -4.88 120.51 114.60 1u1j n ALA 198 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1u1j n ALA 198 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1u1j n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u1j n GLY 199 N 0.78 1.22 3.73 0.00 0.00 0.13 -5.00 105.19 106.04 1u1j n GLY 199 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1u1j n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1j s ALA 200 N -2.00 3.45 -0.13 4.61 0.00 -0.65 -4.91 121.76 122.13 1u1j s ALA 200 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1u1j s ALA 200 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1u1j s ALA 200 CO 0.00 -0.42 0.27 0.25 0.00 0.00 0.00 175.76 175.86 1u1j n THR 201 N 3.01 0.00 -4.06 0.00 -2.24 -1.26 -4.47 114.28 105.25 1u1j n THR 201 Ca 0.06 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1u1j n THR 201 Cb 0.45 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.57 1u1j n THR 201 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1u1j s TRP 202 N -0.72 0.55 0.01 4.78 0.52 -1.26 -1.36 118.94 121.46 1u1j s TRP 202 Ca 0.01 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.70 1u1j s TRP 202 Cb 0.01 -0.34 -0.01 0.00 -1.15 0.00 0.00 33.47 31.99 1u1j s TRP 202 CO 0.04 -0.08 0.05 -1.50 0.02 0.00 0.00 176.95 175.49 1u1j s ILE 203 N -1.06 0.09 -0.15 2.03 2.07 -0.46 -4.09 121.20 119.63 1u1j s ILE 203 Ca -0.08 -0.78 0.01 0.00 -1.41 0.00 0.00 60.65 58.39 1u1j s ILE 203 Cb -0.08 -0.33 0.02 0.00 0.13 0.00 0.00 42.46 42.20 1u1j s ILE 203 CO 0.00 -0.43 -0.17 -1.58 -1.91 0.00 0.00 174.94 170.85 1u1j s GLN 204 N -1.38 2.60 -0.29 3.50 0.74 0.72 -1.50 119.66 124.05 1u1j s GLN 204 Ca -0.15 -0.68 -0.06 0.00 0.05 0.00 0.00 55.36 54.52 1u1j s GLN 204 Cb -0.09 -2.26 0.01 0.00 1.10 0.00 0.00 33.01 31.78 1u1j s GLN 204 CO 0.00 -0.17 0.06 -0.51 -0.55 0.00 0.00 175.29 174.13 1u1j s LEU 205 N 1.25 3.80 -0.55 3.68 2.01 0.41 -0.87 118.68 128.41 1u1j s LEU 205 Ca 0.01 -0.76 -0.26 0.00 0.01 0.00 0.00 54.13 53.13 1u1j s LEU 205 Cb -0.14 -1.85 0.03 0.00 0.01 0.00 0.00 46.19 44.25 1u1j s LEU 205 CO -0.09 -0.19 1.06 -1.81 1.01 0.00 0.00 176.35 176.33 1u1j s ASP 206 N 1.47 6.43 -0.58 2.29 1.11 0.56 -0.69 116.67 127.26 1u1j s ASP 206 Ca 0.02 -0.04 0.05 0.00 0.18 0.00 0.00 52.55 52.76 1u1j s ASP 206 Cb -0.17 -2.50 0.34 0.00 1.07 0.00 0.00 42.92 41.66 1u1j s ASP 206 CO 0.02 -1.31 0.94 -0.62 1.18 0.00 0.00 175.17 175.38 1u1j n GLU 207 N 7.87 3.23 0.31 8.23 -0.58 -0.31 -0.05 120.64 139.33 1u1j n GLU 207 Ca 0.06 -4.86 0.19 0.00 -0.42 0.00 0.00 57.16 52.13 1u1j n GLU 207 Cb 0.48 -2.24 0.96 0.00 -0.57 0.00 0.00 31.44 30.07 1u1j n GLU 207 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1u1j h PRO 208 N 3.02 0.00 0.00 3.49 0.13 -1.92 -2.80 132.00 133.93 1u1j h PRO 208 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1u1j h PRO 208 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1u1j h PRO 208 CO 0.82 0.02 0.00 0.28 -0.23 0.00 0.00 178.00 178.89 1u1j h VAL 209 N 0.00 0.00 0.00 1.56 2.07 -1.91 -0.96 116.25 117.00 1u1j h VAL 209 Ca -0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1u1j h VAL 209 Cb 0.23 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1u1j h VAL 209 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1u1j n LEU 210 N -2.90 0.00 -2.52 2.57 4.77 -1.06 -4.70 117.00 113.15 1u1j n LEU 210 Ca -0.02 0.48 -0.30 0.00 -0.03 0.00 0.00 56.01 56.14 1u1j n LEU 210 Cb 0.09 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1u1j n LEU 210 CO 0.19 -0.30 1.52 1.33 -1.33 0.00 0.00 177.39 178.79 1u1j n VAL 211 N -1.48 3.36 -3.75 4.08 0.24 -0.37 -4.41 118.33 116.00 1u1j n VAL 211 Ca 0.03 -3.19 -0.37 0.00 -2.04 0.00 0.00 64.34 58.77 1u1j n VAL 211 Cb 0.12 -1.43 -0.11 0.00 -1.47 0.00 0.00 33.84 30.95 1u1j n VAL 211 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1u1j s ASP 213 N -0.26 5.30 -0.12 -1.34 1.01 -1.26 -4.75 116.67 115.25 1u1j s ASP 213 Ca 0.54 -1.83 -0.02 0.00 0.71 0.00 0.00 52.55 51.95 1u1j s ASP 213 Cb 0.39 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 1u1j s ASP 213 CO -0.23 -0.52 -0.06 -0.76 0.21 0.00 0.00 175.17 173.82 1u1j s LEU 214 N 1.22 3.18 0.81 1.23 1.02 -1.26 -5.11 118.68 119.77 1u1j s LEU 214 Ca 0.05 -0.10 -0.11 0.00 0.02 0.00 0.00 54.13 53.99 1u1j s LEU 214 Cb -0.23 -1.74 0.08 0.00 0.02 0.00 0.00 46.19 44.33 1u1j s LEU 214 CO -0.02 0.24 1.09 -1.83 0.02 0.00 0.00 176.35 175.84 1u1j s GLU 215 N -0.06 1.94 0.41 1.70 -1.05 -1.26 -4.82 118.70 115.56 1u1j s GLU 215 Ca 0.01 0.93 0.08 0.00 -0.15 0.00 0.00 54.97 55.85 1u1j s GLU 215 Cb -0.13 -1.88 0.88 0.00 -0.44 0.00 0.00 34.13 32.56 1u1j s GLU 215 CO 0.03 -1.80 2.03 0.78 0.95 0.00 0.00 175.26 177.25 1u1j h GLY 216 N -1.23 0.45 1.82 -3.83 0.00 -1.99 -2.16 103.07 96.12 1u1j h GLY 216 Ca -0.46 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1u1j h GLY 216 CO 0.54 0.18 -0.27 1.46 0.00 0.00 0.00 176.54 178.46 1u1j h GLN 217 N 0.42 0.21 0.11 4.80 7.50 -2.00 -2.11 115.11 124.05 1u1j h GLN 217 Ca 0.11 -0.07 -0.25 0.00 0.50 0.00 0.00 58.65 58.94 1u1j h GLN 217 Cb 0.05 -0.02 0.03 0.00 0.05 0.00 0.00 27.48 27.59 1u1j h GLN 217 CO -0.02 0.47 -1.03 0.87 -1.50 0.00 0.00 178.83 177.62 1u1j h LYS 218 N 0.19 0.50 -0.73 1.46 1.57 -1.78 -3.18 116.57 114.60 1u1j h LYS 218 Ca 0.03 -0.69 0.05 0.00 -1.87 0.00 0.00 60.65 58.17 1u1j h LYS 218 Cb 0.58 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1u1j h LYS 218 CO 0.04 1.30 0.44 -0.07 -0.57 0.00 0.00 179.45 180.60 1u1j h LEU 219 N 0.04 0.70 -2.00 2.94 3.38 -1.31 -0.88 115.31 118.18 1u1j h LEU 219 Ca -0.16 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1u1j h LEU 219 Cb 1.75 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1u1j h LEU 219 CO 0.20 0.47 0.15 -0.61 0.09 0.00 0.00 178.44 178.73 1u1j h GLN 220 N 0.84 0.00 0.00 1.13 5.75 -1.43 -1.08 115.11 120.33 1u1j h GLN 220 Ca 0.31 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.80 1u1j h GLN 220 Cb 0.11 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1u1j h GLN 220 CO -0.15 0.00 -0.08 0.00 -2.65 0.00 0.00 178.83 175.96 1u1j h ALA 221 N 1.90 1.72 0.16 3.38 0.00 -1.13 -1.32 119.26 123.95 1u1j h ALA 221 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1u1j h ALA 221 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1u1j h ALA 221 CO -0.00 0.10 -0.08 0.74 0.00 0.00 0.00 179.25 180.01 1u1j h PHE 222 N 0.00 -0.20 -0.38 0.00 -1.00 -1.23 -2.57 116.94 111.57 1u1j h PHE 222 Ca -0.00 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.84 1u1j h PHE 222 Cb 0.15 0.06 -0.09 0.00 3.61 0.00 0.00 35.95 39.69 1u1j h PHE 222 CO 0.00 0.24 -0.41 1.15 -1.61 0.00 0.00 178.31 177.68 1u1j h THR 223 N -0.76 0.13 -0.49 -1.55 2.02 -1.32 0.15 112.91 111.09 1u1j h THR 223 Ca -0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1u1j h THR 223 Cb 0.52 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1u1j h THR 223 CO 0.04 0.00 0.33 1.23 0.37 0.00 0.00 175.52 177.49 1u1j h GLY 224 N -0.33 0.56 0.65 2.16 0.00 -1.34 -2.60 103.07 102.16 1u1j h GLY 224 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1u1j h GLY 224 CO -0.55 0.15 -0.27 0.00 0.00 0.00 0.00 176.54 175.87 1u1j h ALA 225 N 1.73 0.12 -0.02 3.60 0.00 -0.58 -2.57 119.26 121.54 1u1j h ALA 225 Ca 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u1j h ALA 225 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1u1j h ALA 225 CO -0.05 0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.99 1u1j n TYR 226 N -4.48 0.05 -0.00 0.00 4.02 0.32 -1.67 117.16 115.41 1u1j n TYR 226 Ca -0.08 -0.02 -0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1u1j n TYR 226 Cb 0.47 -0.09 -0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1u1j n TYR 226 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u1j n ALA 227 N -0.07 1.99 0.41 -0.72 0.00 -1.01 -2.58 120.51 118.52 1u1j n ALA 227 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1u1j n ALA 227 Cb 0.22 0.25 0.41 0.00 0.00 0.00 0.00 19.45 20.34 1u1j n ALA 227 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u1j h GLU 228 N 0.00 0.00 0.00 0.00 4.57 -0.98 -3.16 114.58 115.02 1u1j h GLU 228 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1u1j h GLU 228 Cb 1.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1u1j h GLU 228 CO 0.00 0.00 -1.94 1.28 -1.18 0.00 0.00 179.01 177.17 1u1j n LEU 229 N -2.63 0.00 -0.36 1.64 4.32 -0.67 -4.74 117.00 114.56 1u1j n LEU 229 Ca 0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.97 1u1j n LEU 229 Cb 0.39 0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.21 1u1j n LEU 229 CO 0.29 0.05 0.48 1.21 -1.22 0.00 0.00 177.39 178.19 1u1j n GLU 230 N -2.24 -0.31 -0.16 3.23 2.13 -1.19 -0.73 120.64 121.38 1u1j n GLU 230 Ca -0.06 1.37 0.11 0.00 0.66 0.00 0.00 57.16 59.24 1u1j n GLU 230 Cb 0.57 -2.02 0.44 0.00 0.27 0.00 0.00 31.44 30.71 1u1j n GLU 230 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1u1j h SER 231 N 0.00 0.50 0.46 4.31 4.64 -1.85 -1.42 113.55 120.19 1u1j h SER 231 Ca 0.23 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.38 1u1j h SER 231 Cb 0.45 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1u1j h SER 231 CO -0.87 0.29 -0.79 0.74 -0.87 0.00 0.00 176.83 175.33 1u1j h THR 232 N 0.55 1.44 0.00 2.95 2.02 -1.26 -2.92 112.91 115.69 1u1j h THR 232 Ca 0.34 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1u1j h THR 232 Cb 0.57 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1u1j h THR 232 CO -0.11 0.70 0.00 0.18 0.37 0.00 0.00 175.52 176.65 1u1j n LEU 233 N -3.75 0.00 -4.74 2.58 7.99 -0.56 -4.86 117.00 113.67 1u1j n LEU 233 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.55 1u1j n LEU 233 Cb 0.75 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 44.04 1u1j n LEU 233 CO 0.47 0.00 1.28 -0.55 -1.51 0.00 0.00 177.39 177.08 1u1j s SER 234 N -1.56 6.40 -0.93 -1.43 0.15 -1.06 -2.95 113.70 112.32 1u1j s SER 234 Ca 0.17 2.89 -0.03 0.00 0.70 0.00 0.00 55.95 59.68 1u1j s SER 234 Cb 0.08 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1u1j s SER 234 CO 0.13 -0.92 0.80 0.61 1.20 0.00 0.00 173.24 175.07 1u1j n GLY 235 N 2.81 -0.64 3.64 9.45 0.00 -1.26 -5.02 105.19 114.16 1u1j n GLY 235 Ca 0.11 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 1u1j n GLY 235 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u1j s LEU 236 N -5.26 -0.66 -0.19 0.99 2.96 -1.15 -4.96 118.68 110.41 1u1j s LEU 236 Ca 0.26 1.12 -0.26 0.00 -0.22 0.00 0.00 54.13 55.02 1u1j s LEU 236 Cb -0.03 2.05 -0.01 0.00 0.50 0.00 0.00 46.19 48.70 1u1j s LEU 236 CO 0.63 -0.18 0.89 0.20 -1.32 0.00 0.00 176.35 176.56 1u1j s ASN 237 N 1.11 6.98 -0.22 3.68 0.01 -0.46 -4.90 114.94 121.14 1u1j s ASN 237 Ca -0.06 1.22 -0.03 0.00 -0.71 0.00 0.00 52.86 53.27 1u1j s ASN 237 Cb -0.04 -2.48 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 1u1j s ASN 237 CO -0.13 -0.48 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.24 1u1j s VAL 238 N 2.47 3.22 -0.22 1.60 1.01 -1.26 -1.35 120.40 125.86 1u1j s VAL 238 Ca 0.40 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1u1j s VAL 238 Cb -0.16 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1u1j s VAL 238 CO 0.11 0.40 0.04 -0.22 0.00 0.00 0.00 175.10 175.43 1u1j s LEU 239 N 1.45 3.38 -0.27 3.92 1.98 -0.56 -0.48 118.68 128.09 1u1j s LEU 239 Ca 0.05 -0.19 -0.09 0.00 -2.89 0.00 0.00 54.13 51.01 1u1j s LEU 239 Cb -0.14 -1.88 -0.03 0.00 0.66 0.00 0.00 46.19 44.79 1u1j s LEU 239 CO -0.04 0.02 0.12 -0.69 -1.89 0.00 0.00 176.35 173.87 1u1j s VAL 240 N 1.28 4.66 0.19 1.68 1.01 -0.92 -0.44 120.40 127.85 1u1j s VAL 240 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1u1j s VAL 240 Cb -0.15 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1u1j s VAL 240 CO 0.02 0.27 0.42 -1.61 0.00 0.00 0.00 175.10 174.20 1u1j s GLU 241 N 1.66 3.60 -0.09 2.72 0.41 0.13 -1.15 118.70 125.98 1u1j s GLU 241 Ca 0.06 -0.14 -0.13 0.00 -0.41 0.00 0.00 54.97 54.36 1u1j s GLU 241 Cb -0.16 -2.80 0.03 0.00 -1.78 0.00 0.00 34.13 29.42 1u1j s GLU 241 CO 0.06 0.40 0.33 0.95 -0.49 0.00 0.00 175.26 176.51 1u1j s THR 242 N -1.80 0.02 0.20 3.63 -4.23 -1.09 -1.16 115.64 111.22 1u1j s THR 242 Ca 0.41 -0.17 -0.23 0.00 -1.18 0.00 0.00 61.69 60.53 1u1j s THR 242 Cb -0.11 -0.52 0.05 0.00 1.34 0.00 0.00 72.50 73.25 1u1j s THR 242 CO 0.27 -0.09 0.72 -0.72 -0.54 0.00 0.00 174.62 174.26 1u1j s TYR 243 N -0.34 -0.31 0.00 3.99 -0.85 -1.26 -3.55 117.35 115.03 1u1j s TYR 243 Ca -0.05 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1u1j s TYR 243 Cb -0.03 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.94 1u1j s TYR 243 CO 0.02 -1.00 0.00 1.19 -1.52 0.00 0.00 175.55 174.23 1u1j n PHE 244 N -0.42 0.00 -3.85 -3.49 3.72 -1.26 -4.90 117.46 107.25 1u1j n PHE 244 Ca -0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.28 1u1j n PHE 244 Cb 0.61 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.17 1u1j n PHE 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u1j s ALA 245 N -2.37 -1.59 0.62 4.37 0.00 -1.26 -4.80 121.76 116.74 1u1j s ALA 245 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 1u1j s ALA 245 Cb 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1u1j s ALA 245 CO 0.00 -1.06 1.00 0.16 0.00 0.00 0.00 175.76 175.86 1u1j s ASP 246 N -3.31 5.99 -0.26 0.00 -4.77 -1.25 -4.41 116.67 108.67 1u1j s ASP 246 Ca 0.20 1.22 -0.15 0.00 -3.30 0.00 0.00 52.55 50.52 1u1j s ASP 246 Cb -0.02 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.53 1u1j s ASP 246 CO 0.05 -0.96 0.38 -0.63 0.70 0.00 0.00 175.17 174.71 1u1j s ILE 247 N -3.14 5.18 0.57 2.11 1.09 -1.26 -4.68 121.20 121.06 1u1j s ILE 247 Ca 0.55 0.59 -0.19 0.00 -1.10 0.00 0.00 60.65 60.50 1u1j s ILE 247 Cb -0.11 -3.70 -0.07 0.00 -1.06 0.00 0.00 42.46 37.52 1u1j s ILE 247 CO 0.51 0.17 0.78 -2.65 -0.10 0.00 0.00 174.94 173.66 1u1j n PRO 248 N 5.17 0.77 -0.15 2.79 -0.02 -1.26 -4.54 135.00 137.76 1u1j n PRO 248 Ca -0.08 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.66 1u1j n PRO 248 Cb 0.51 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.08 1u1j n PRO 248 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u1j h ALA 249 N 0.49 0.36 -0.33 3.55 0.00 -1.98 0.41 119.26 121.77 1u1j h ALA 249 Ca -0.47 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1u1j h ALA 249 Cb 1.38 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1u1j h ALA 249 CO 0.50 -0.43 -0.09 0.93 0.00 0.00 0.00 179.25 180.16 1u1j h GLU 250 N 0.03 0.54 -0.61 0.00 4.39 -1.99 -2.19 114.58 114.76 1u1j h GLU 250 Ca 0.24 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1u1j h GLU 250 Cb 0.36 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1u1j h GLU 250 CO -0.47 0.63 0.04 0.00 -1.16 0.00 0.00 179.01 178.05 1u1j h ALA 251 N 1.41 0.81 -0.41 3.43 0.00 -1.45 -2.69 119.26 120.36 1u1j h ALA 251 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1u1j h ALA 251 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1u1j h ALA 251 CO 0.02 0.63 0.15 -0.92 0.00 0.00 0.00 179.25 179.13 1u1j h TYR 252 N 0.95 0.59 -0.02 0.00 3.20 0.30 -1.16 116.97 120.82 1u1j h TYR 252 Ca 0.18 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1u1j h TYR 252 Cb 0.51 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1u1j h TYR 252 CO 0.04 0.47 0.01 0.87 -1.64 0.00 0.00 178.16 177.91 1u1j h LYS 253 N 0.59 0.04 0.56 1.82 1.57 -1.09 -2.04 116.57 118.01 1u1j h LYS 253 Ca 0.14 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1u1j h LYS 253 Cb 0.14 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1u1j h LYS 253 CO -0.01 0.25 -0.27 1.15 -0.57 0.00 0.00 179.45 180.00 1u1j h THR 254 N -0.18 0.45 0.09 -0.16 2.02 -1.29 -3.19 112.91 110.65 1u1j h THR 254 Ca 0.01 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1u1j h THR 254 Cb 0.23 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1u1j h THR 254 CO 0.00 0.00 -0.52 0.25 0.37 0.00 0.00 175.52 175.62 1u1j h LEU 255 N -0.76 -1.57 0.00 2.58 7.12 -1.25 -2.14 115.31 119.28 1u1j h LEU 255 Ca -0.08 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1u1j h LEU 255 Cb 0.58 0.58 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1u1j h LEU 255 CO 0.13 -0.54 0.00 0.35 -0.13 0.00 0.00 178.44 178.25 1u1j n THR 256 N -5.39 0.00 -2.52 1.05 -2.24 -0.77 -2.33 114.28 102.08 1u1j n THR 256 Ca -0.08 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1u1j n THR 256 Cb 0.40 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1u1j n THR 256 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1u1j n SER 257 N -0.64 1.38 -4.79 3.42 3.41 -0.81 -4.79 113.62 110.80 1u1j n SER 257 Ca 0.02 -2.22 -0.39 0.00 -0.26 0.00 0.00 58.87 56.02 1u1j n SER 257 Cb 0.01 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1u1j n SER 257 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u1j s LEU 258 N -1.55 4.54 0.47 1.04 1.43 -0.99 -5.01 118.68 118.61 1u1j s LEU 258 Ca 0.33 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.65 1u1j s LEU 258 Cb 0.37 -3.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.41 1u1j s LEU 258 CO -0.11 0.21 1.11 -0.54 0.23 0.00 0.00 176.35 177.25 1u1j s LYS 259 N -0.97 3.78 0.00 1.70 -0.14 -1.07 -3.37 119.74 119.68 1u1j s LYS 259 Ca 0.33 1.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.55 1u1j s LYS 259 Cb -0.21 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1u1j s LYS 259 CO 0.22 -0.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.73 1u1j n GLY 260 N 0.25 2.54 3.73 -3.33 0.00 -1.26 -4.66 105.19 102.46 1u1j n GLY 260 Ca 0.08 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1u1j n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1j s VAL 261 N -0.35 3.53 0.00 1.61 1.01 -1.22 -4.23 120.40 120.76 1u1j s VAL 261 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1u1j s VAL 261 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1u1j s VAL 261 CO 0.00 0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.63 1u1j n THR 262 N 2.76 0.00 -4.03 3.92 -2.24 0.37 -4.92 114.28 110.14 1u1j n THR 262 Ca 0.06 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1u1j n THR 262 Cb 0.44 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.54 1u1j n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1j s ALA 263 N -0.85 0.31 -0.07 6.98 0.00 -0.38 -1.50 121.76 126.25 1u1j s ALA 263 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1u1j s ALA 263 Cb 0.00 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1u1j s ALA 263 CO 0.00 -0.22 -0.04 -0.06 0.00 0.00 0.00 175.76 175.44 1u1j s PHE 264 N -2.30 0.94 -0.22 0.00 0.08 -0.88 -2.16 117.98 113.43 1u1j s PHE 264 Ca -0.07 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 1u1j s PHE 264 Cb -0.04 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1u1j s PHE 264 CO -0.04 -0.32 0.28 0.20 -0.10 0.00 0.00 175.22 175.24 1u1j s GLY 265 N 1.44 2.05 -0.04 4.36 0.00 -0.30 -1.33 107.32 113.50 1u1j s GLY 265 Ca -0.02 -0.68 0.06 0.00 0.00 0.00 0.00 44.72 44.07 1u1j s GLY 265 CO -0.03 0.58 -0.21 -1.36 0.00 0.00 0.00 173.10 172.08 1u1j s PHE 266 N 1.11 1.97 -0.37 1.90 0.08 -0.92 -2.66 117.98 119.09 1u1j s PHE 266 Ca 0.13 -0.51 -0.28 0.00 0.12 0.00 0.00 56.93 56.39 1u1j s PHE 266 Cb -0.14 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1u1j s PHE 266 CO 0.06 -0.14 1.05 0.34 -0.10 0.00 0.00 175.22 176.43 1u1j s ASP 267 N -0.19 6.80 -0.24 1.36 -1.08 -1.23 -1.29 116.67 120.80 1u1j s ASP 267 Ca 0.00 0.80 0.12 0.00 -0.52 0.00 0.00 52.55 52.95 1u1j s ASP 267 Cb -0.11 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.29 1u1j s ASP 267 CO 0.02 -0.96 1.36 0.18 0.52 0.00 0.00 175.17 176.28 1u1j n LEU 268 N 7.08 3.52 -0.01 -1.34 4.77 -0.33 -2.66 117.00 128.03 1u1j n LEU 268 Ca 0.11 -3.62 -0.02 0.00 -0.03 0.00 0.00 56.01 52.45 1u1j n LEU 268 Cb 0.48 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1u1j n LEU 268 CO 0.62 1.15 -0.58 0.52 -1.33 0.00 0.00 177.39 177.77 1u1j n VAL 269 N -1.08 0.13 0.43 4.08 0.31 -1.24 -4.53 118.33 116.43 1u1j n VAL 269 Ca 0.26 -0.04 0.08 0.00 -0.01 0.00 0.00 64.34 64.63 1u1j n VAL 269 Cb 0.88 -1.27 0.11 0.00 -0.91 0.00 0.00 33.84 32.65 1u1j n VAL 269 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u1j n ARG 270 N -2.96 1.69 -2.70 5.55 1.74 -1.26 -4.59 116.66 114.13 1u1j n ARG 270 Ca -0.05 -1.70 -0.06 0.00 -0.77 0.00 0.00 57.85 55.27 1u1j n ARG 270 Cb 0.54 -1.34 0.09 0.00 -1.02 0.00 0.00 32.46 30.73 1u1j n ARG 270 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1j n GLY 271 N 0.94 1.57 0.25 -0.13 0.00 -1.09 -3.85 105.19 102.88 1u1j n GLY 271 Ca 0.12 -0.52 0.17 0.00 0.00 0.00 0.00 46.02 45.78 1u1j n GLY 271 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u1j h THR 272 N 3.04 0.00 0.00 2.61 1.35 -1.80 -2.26 112.91 115.86 1u1j h THR 272 Ca -0.25 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1u1j h THR 272 Cb 1.27 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1u1j h THR 272 CO 0.07 0.00 0.11 0.50 -0.25 0.00 0.00 175.52 175.96 1u1j h LYS 273 N 0.00 0.00 0.00 4.72 3.64 -1.90 0.20 116.57 123.22 1u1j h LYS 273 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1u1j h LYS 273 Cb 0.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1u1j h LYS 273 CO 0.00 0.00 -0.15 1.15 -2.27 0.00 0.00 179.45 178.18 1u1j h THR 274 N 0.00 0.39 -0.69 1.00 2.02 -1.73 -3.20 112.91 110.71 1u1j h THR 274 Ca 0.00 -0.88 0.12 0.00 0.77 0.00 0.00 66.41 66.42 1u1j h THR 274 Cb 0.22 1.65 -0.08 0.00 -1.74 0.00 0.00 68.15 68.19 1u1j h THR 274 CO 0.00 0.14 0.26 -0.07 0.37 0.00 0.00 175.52 176.23 1u1j h LEU 275 N 0.00 0.25 -1.29 2.58 3.38 -0.83 -1.57 115.31 117.84 1u1j h LEU 275 Ca -0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1u1j h LEU 275 Cb 0.63 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1u1j h LEU 275 CO 0.02 0.12 0.49 0.44 0.09 0.00 0.00 178.44 179.60 1u1j h ASP 276 N 0.43 0.82 0.25 -0.43 3.32 -1.75 -0.66 116.42 118.41 1u1j h ASP 276 Ca 0.36 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.28 1u1j h ASP 276 Cb 0.50 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1u1j h ASP 276 CO -0.36 0.58 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.22 1u1j h LEU 277 N 0.96 0.27 -0.41 1.55 3.38 -1.49 -2.13 115.31 117.43 1u1j h LEU 277 Ca 0.28 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1u1j h LEU 277 Cb -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1u1j h LEU 277 CO -0.07 0.69 -0.11 0.58 0.09 0.00 0.00 178.44 179.62 1u1j h VAL 278 N 0.20 1.27 -0.42 1.22 2.07 -0.51 -2.47 116.25 117.62 1u1j h VAL 278 Ca 0.01 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 1u1j h VAL 278 Cb 0.88 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1u1j h VAL 278 CO 0.07 0.41 -0.10 0.11 0.02 0.00 0.00 177.57 178.07 1u1j h LYS 279 N 0.62 0.81 -0.89 1.57 1.57 -1.10 -2.81 116.57 116.35 1u1j h LYS 279 Ca 0.10 -0.31 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1u1j h LYS 279 Cb 0.64 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1u1j h LYS 279 CO 0.04 0.93 0.58 0.00 -0.57 0.00 0.00 179.45 180.43 1u1j h ALA 280 N 0.85 1.55 0.00 3.86 0.00 -1.32 -3.44 119.26 120.76 1u1j h ALA 280 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u1j h ALA 280 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1u1j h ALA 280 CO 0.04 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1u1j n GLY 281 N -1.40 1.22 3.05 0.00 0.00 -0.94 -5.11 105.19 102.00 1u1j n GLY 281 Ca 0.14 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 1u1j n GLY 281 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u1j s PHE 282 N -0.18 0.68 1.05 1.61 5.36 -1.23 -4.45 117.98 120.82 1u1j s PHE 282 Ca 0.00 -0.41 -0.15 0.00 -0.96 0.00 0.00 56.93 55.41 1u1j s PHE 282 Cb 0.00 -0.41 0.15 0.00 -0.34 0.00 0.00 43.02 42.42 1u1j s PHE 282 CO 0.00 -0.06 0.21 -2.30 -1.46 0.00 0.00 175.22 171.61 1u1j n PRO 283 N 1.78 -2.15 0.00 10.12 -0.02 -1.26 -5.01 135.00 138.45 1u1j n PRO 283 Ca -0.20 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1u1j n PRO 283 Cb 0.55 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1u1j n PRO 283 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u1j n GLU 284 N -1.81 0.00 -2.32 -0.52 1.02 -1.26 -4.52 120.64 111.22 1u1j n GLU 284 Ca 0.05 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 1u1j n GLU 284 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.86 1u1j n GLU 284 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u1j n GLY 285 N 1.16 5.53 3.69 0.62 0.00 -1.26 -4.95 105.19 109.98 1u1j n GLY 285 Ca 0.00 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 1u1j n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1j s LYS 286 N -2.34 2.68 0.43 1.61 -0.14 -1.26 -5.04 119.74 115.67 1u1j s LYS 286 Ca 0.46 -0.72 -0.16 0.00 -1.36 0.00 0.00 55.97 54.19 1u1j s LYS 286 Cb 0.17 -2.61 -0.09 0.00 -1.68 0.00 0.00 37.83 33.63 1u1j s LYS 286 CO -0.09 0.58 0.88 0.71 -0.76 0.00 0.00 175.35 176.67 1u1j s TYR 287 N -1.20 3.40 -0.14 3.18 1.51 -0.56 -4.88 117.35 118.65 1u1j s TYR 287 Ca 0.23 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 1u1j s TYR 287 Cb -0.12 -2.68 0.02 0.00 -0.11 0.00 0.00 41.96 39.08 1u1j s TYR 287 CO 0.14 -0.14 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.15 1u1j s LEU 288 N -3.55 1.55 -0.54 -1.29 0.20 -0.05 -2.08 118.68 112.92 1u1j s LEU 288 Ca 0.57 -0.44 -0.17 0.00 0.69 0.00 0.00 54.13 54.78 1u1j s LEU 288 Cb -0.10 -1.09 0.10 0.00 -0.43 0.00 0.00 46.19 44.67 1u1j s LEU 288 CO 0.23 -0.07 0.56 -0.36 -0.29 0.00 0.00 176.35 176.42 1u1j s PHE 289 N 1.53 3.14 -0.61 5.38 0.40 -0.44 -0.98 117.98 126.41 1u1j s PHE 289 Ca 0.05 -1.03 -0.27 0.00 -0.60 0.00 0.00 56.93 55.09 1u1j s PHE 289 Cb -0.13 -3.72 0.04 0.00 0.51 0.00 0.00 43.02 39.72 1u1j s PHE 289 CO -0.10 -1.07 1.14 0.00 0.70 0.00 0.00 175.22 175.89 1u1j s ALA 290 N 2.08 2.99 -1.30 5.36 0.00 -0.28 -2.17 121.76 128.44 1u1j s ALA 290 Ca 0.07 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 1u1j s ALA 290 Cb -0.26 -4.00 0.09 0.00 0.00 0.00 0.00 23.12 18.95 1u1j s ALA 290 CO 0.06 -2.74 1.72 0.41 0.00 0.00 0.00 175.76 175.21 1u1j n GLY 291 N 5.16 2.93 0.05 0.00 0.00 -0.41 -1.23 105.19 111.69 1u1j n GLY 291 Ca 0.05 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1u1j n GLY 291 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u1j n VAL 292 N 5.88 0.23 -3.02 1.61 0.24 -1.04 -1.19 118.33 121.04 1u1j n VAL 292 Ca 0.47 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 1u1j n VAL 292 Cb 0.45 -0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 1u1j n VAL 292 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u1j s VAL 293 N -3.41 4.76 -0.16 3.34 1.01 -1.18 -4.84 120.40 119.93 1u1j s VAL 293 Ca -0.04 0.55 -0.34 0.00 0.00 0.00 0.00 61.98 62.16 1u1j s VAL 293 Cb 0.13 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1u1j s VAL 293 CO 0.86 -0.51 1.96 -0.67 0.00 0.00 0.00 175.10 176.74 1u1j n ASP 294 N 6.38 3.16 -1.39 3.32 -0.08 -1.26 -0.97 116.55 125.71 1u1j n ASP 294 Ca 0.01 0.81 0.08 0.00 -1.51 0.00 0.00 54.79 54.19 1u1j n ASP 294 Cb 0.48 -1.36 0.32 0.00 2.34 0.00 0.00 41.12 42.91 1u1j n ASP 294 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u1j n GLY 295 N 4.88 3.07 0.00 0.27 0.00 -1.26 -4.27 105.19 107.88 1u1j n GLY 295 Ca 0.27 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.46 1u1j n GLY 295 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1u1j n ARG 296 N 0.63 3.27 -1.54 1.61 0.63 -1.26 -3.91 116.66 116.09 1u1j n ARG 296 Ca 0.24 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1u1j n ARG 296 Cb 0.89 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1u1j n ARG 296 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1u1j n ASN 297 N -1.33 1.65 -0.04 6.15 2.85 -1.26 -4.79 115.26 118.49 1u1j n ASN 297 Ca 0.00 -0.77 0.00 0.00 -0.11 0.00 0.00 54.58 53.71 1u1j n ASN 297 Cb 0.08 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.11 1u1j n ASN 297 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u1j n ILE 298 N 0.00 0.36 -3.08 -1.44 0.13 -1.26 -4.79 119.36 109.28 1u1j n ILE 298 Ca 0.00 -0.68 -0.31 0.00 -1.10 0.00 0.00 62.75 60.66 1u1j n ILE 298 Cb 0.00 0.83 -0.05 0.00 -0.84 0.00 0.00 39.64 39.59 1u1j n ILE 298 CO 0.00 0.00 0.00 0.26 2.80 0.00 0.00 176.55 179.61 1u1j s TRP 299 N -0.41 3.43 0.28 9.51 0.52 -1.26 -0.52 118.94 130.49 1u1j s TRP 299 Ca 0.01 1.04 -0.29 0.00 0.02 0.00 0.00 56.10 56.88 1u1j s TRP 299 Cb 0.01 -2.41 -0.10 0.00 -1.15 0.00 0.00 33.47 29.82 1u1j s TRP 299 CO 0.01 0.04 1.18 0.00 0.02 0.00 0.00 176.95 178.20 1u1j s ALA 300 N -2.13 3.44 0.85 0.98 0.00 -0.31 -4.27 121.76 120.32 1u1j s ALA 300 Ca 0.51 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 1u1j s ALA 300 Cb -0.10 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.73 1u1j s ALA 300 CO 0.25 -0.33 1.12 1.21 0.00 0.00 0.00 175.76 178.01 1u1j s ASN 301 N -0.59 3.65 -1.12 0.00 3.84 -1.26 -4.95 114.94 114.51 1u1j s ASN 301 Ca 0.47 2.03 -0.08 0.00 0.21 0.00 0.00 52.86 55.49 1u1j s ASN 301 Cb -0.34 -2.55 0.28 0.00 -0.55 0.00 0.00 41.25 38.09 1u1j s ASN 301 CO 0.44 -2.61 1.24 -0.67 -2.79 0.00 0.00 177.10 172.70 1u1j n ASP 302 N -3.88 5.71 -0.32 -4.21 -0.08 -1.26 -4.88 116.55 107.62 1u1j n ASP 302 Ca 0.11 -3.12 0.13 0.00 -1.51 0.00 0.00 54.79 50.39 1u1j n ASP 302 Cb 0.52 -1.37 0.26 0.00 2.34 0.00 0.00 41.12 42.88 1u1j n ASP 302 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1u1j h PHE 303 N 6.38 -0.01 0.08 -0.67 -1.00 -1.96 -0.57 116.94 119.18 1u1j h PHE 303 Ca 0.20 0.07 0.02 0.00 2.81 0.00 0.00 57.97 61.07 1u1j h PHE 303 Cb 0.81 0.16 -0.05 0.00 3.61 0.00 0.00 35.95 40.48 1u1j h PHE 303 CO 0.84 -0.37 -0.38 0.00 -1.61 0.00 0.00 178.31 176.79 1u1j h ALA 304 N 1.91 -0.63 0.01 2.45 0.00 -1.95 0.67 119.26 121.72 1u1j h ALA 304 Ca 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1u1j h ALA 304 Cb 1.12 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1u1j h ALA 304 CO -0.85 -0.92 -0.01 0.00 0.00 0.00 0.00 179.25 177.47 1u1j h ALA 305 N -0.00 -0.02 -0.93 0.00 0.00 -1.67 -2.37 119.26 114.27 1u1j h ALA 305 Ca 0.04 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.05 1u1j h ALA 305 Cb 0.63 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1u1j h ALA 305 CO -0.25 -0.44 0.51 0.77 0.00 0.00 0.00 179.25 179.85 1u1j h SER 306 N -0.15 0.62 0.14 0.00 0.02 -0.99 -1.37 113.55 111.82 1u1j h SER 306 Ca -0.00 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1u1j h SER 306 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1u1j h SER 306 CO 0.00 0.21 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.77 1u1j h LEU 307 N 0.66 -0.16 -0.92 5.07 3.38 -0.57 0.50 115.31 123.27 1u1j h LEU 307 Ca 0.53 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.57 1u1j h LEU 307 Cb 0.84 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 1u1j h LEU 307 CO -0.40 -0.00 0.51 -1.28 0.09 0.00 0.00 178.44 177.36 1u1j h SER 308 N -0.32 0.64 0.65 -0.43 0.87 -0.77 0.47 113.55 114.67 1u1j h SER 308 Ca -0.02 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1u1j h SER 308 Cb 0.25 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1u1j h SER 308 CO 0.03 0.25 -0.31 0.74 -0.53 0.00 0.00 176.83 177.01 1u1j h THR 309 N 0.70 0.00 -0.96 2.23 2.02 -0.98 -2.22 112.91 113.70 1u1j h THR 309 Ca 0.51 -0.21 0.23 0.00 0.77 0.00 0.00 66.41 67.71 1u1j h THR 309 Cb 0.74 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 1u1j h THR 309 CO -0.37 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.08 1u1j h LEU 310 N -1.09 0.41 -0.21 2.58 3.38 -0.46 0.25 115.31 120.18 1u1j h LEU 310 Ca -0.09 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1u1j h LEU 310 Cb 0.67 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1u1j h LEU 310 CO 0.15 0.14 -0.16 1.56 0.09 0.00 0.00 178.44 180.22 1u1j h GLN 311 N 0.39 0.47 -0.63 1.13 4.20 -0.90 -0.44 115.11 119.34 1u1j h GLN 311 Ca 0.51 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 59.03 1u1j h GLN 311 Cb 1.31 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.06 1u1j h GLN 311 CO -0.21 0.79 0.42 0.00 -0.67 0.00 0.00 178.83 179.16 1u1j h ALA 312 N 0.67 1.65 -0.10 3.87 0.00 -0.35 -0.52 119.26 124.49 1u1j h ALA 312 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1u1j h ALA 312 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1u1j h ALA 312 CO 0.04 0.28 -0.55 -0.07 0.00 0.00 0.00 179.25 178.95 1u1j h LEU 313 N 0.75 0.31 -2.34 0.00 3.38 -0.94 -1.09 115.31 115.38 1u1j h LEU 313 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1u1j h LEU 313 Cb 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1u1j h LEU 313 CO -0.07 0.80 -0.04 -0.33 0.09 0.00 0.00 178.44 178.89 1u1j h GLU 314 N 0.22 0.00 -0.11 1.13 5.08 0.55 -0.62 114.58 120.82 1u1j h GLU 314 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1u1j h GLU 314 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1u1j h GLU 314 CO 0.09 0.04 0.02 0.78 -1.00 0.00 0.00 179.01 178.94 1u1j h GLY 315 N 0.39 0.20 2.00 -3.84 0.00 -0.59 -1.80 103.07 99.43 1u1j h GLY 315 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1u1j h GLY 315 CO 0.01 0.12 -0.13 -2.22 0.00 0.00 0.00 176.54 174.31 1u1j h ILE 316 N -0.03 0.73 0.00 2.60 1.08 -1.06 -3.44 117.51 117.40 1u1j h ILE 316 Ca 0.03 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1u1j h ILE 316 Cb 0.27 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1u1j h ILE 316 CO 0.00 0.13 0.00 0.52 -0.69 0.00 0.00 178.15 178.11 1u1j n VAL 317 N -3.85 0.00 0.00 1.67 0.31 -0.85 -5.02 118.33 110.59 1u1j n VAL 317 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1u1j n VAL 317 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1u1j n VAL 317 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u1j n GLY 318 N 0.00 2.07 1.68 2.92 0.00 -0.71 -4.81 105.19 106.34 1u1j n GLY 318 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u1j n GLY 318 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u1j n LYS 319 N -1.77 0.11 -2.40 1.61 5.02 -1.26 -4.13 118.16 115.35 1u1j n LYS 319 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1u1j n LYS 319 Cb 0.00 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1u1j n LYS 319 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1u1j n ASP 320 N 1.66 -3.29 -0.00 4.39 9.92 -1.26 -4.90 116.55 123.06 1u1j n ASP 320 Ca 0.00 -0.07 0.05 0.00 -0.53 0.00 0.00 54.79 54.23 1u1j n ASP 320 Cb 0.06 -2.37 -0.06 0.00 -0.64 0.00 0.00 41.12 38.11 1u1j n ASP 320 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1u1j n LYS 321 N -2.00 1.73 -3.02 -1.24 4.76 -1.26 -4.93 118.16 112.20 1u1j n LYS 321 Ca -0.07 -0.05 -0.40 0.00 -2.87 0.00 0.00 58.31 54.91 1u1j n LYS 321 Cb 0.56 -1.11 -0.05 0.00 -1.84 0.00 0.00 35.03 32.60 1u1j n LYS 321 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1u1j s LEU 322 N -3.18 4.27 -0.11 -0.35 1.98 -1.26 -0.87 118.68 119.15 1u1j s LEU 322 Ca -0.01 1.15 0.01 0.00 -2.89 0.00 0.00 54.13 52.39 1u1j s LEU 322 Cb 0.06 -3.09 0.02 0.00 0.66 0.00 0.00 46.19 43.84 1u1j s LEU 322 CO 0.38 -0.19 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.84 1u1j s VAL 323 N 1.19 1.36 0.27 1.68 1.01 -0.15 -3.45 120.40 122.33 1u1j s VAL 323 Ca 0.37 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1u1j s VAL 323 Cb -0.17 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1u1j s VAL 323 CO 0.16 0.42 1.20 -0.69 0.00 0.00 0.00 175.10 176.19 1u1j s VAL 324 N 1.24 3.23 0.34 2.92 1.01 -0.80 -1.13 120.40 127.22 1u1j s VAL 324 Ca -0.02 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.09 1u1j s VAL 324 Cb -0.14 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1u1j s VAL 324 CO -0.05 0.26 0.51 -0.55 0.00 0.00 0.00 175.10 175.27 1u1j s SER 325 N -0.49 0.74 0.11 3.32 0.15 -0.36 -0.98 113.70 116.19 1u1j s SER 325 Ca 0.48 -1.41 -0.06 0.00 0.70 0.00 0.00 55.95 55.67 1u1j s SER 325 Cb -0.35 0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1u1j s SER 325 CO 0.44 -1.33 0.36 0.42 1.20 0.00 0.00 173.24 174.33 1u1j s THR 326 N -3.03 5.18 0.52 6.45 -4.23 -1.23 -2.50 115.64 116.80 1u1j s THR 326 Ca 0.28 0.10 0.25 0.00 -1.18 0.00 0.00 61.69 61.14 1u1j s THR 326 Cb -0.01 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.52 1u1j s THR 326 CO 0.18 0.12 2.17 0.77 -0.54 0.00 0.00 174.62 177.32 1u1j h SER 327 N 3.10 0.00 -5.38 3.99 4.64 -1.09 -3.39 113.55 115.42 1u1j h SER 327 Ca -0.47 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.01 1u1j h SER 327 Cb 1.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1u1j h SER 327 CO 0.71 0.05 0.55 0.00 -0.87 0.00 0.00 176.83 177.27 1u1j n SER 329 N -1.09 2.97 0.00 0.00 2.88 -1.26 -4.48 113.62 112.63 1u1j n SER 329 Ca -0.04 1.16 0.05 0.00 -1.33 0.00 0.00 58.87 58.71 1u1j n SER 329 Cb 0.60 -1.48 0.28 0.00 -0.75 0.00 0.00 64.21 62.86 1u1j n SER 329 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1u1j n LEU 330 N 1.75 0.00 0.02 2.46 4.77 -0.89 -2.65 117.00 122.47 1u1j n LEU 330 Ca 0.09 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1u1j n LEU 330 Cb 0.34 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.93 1u1j n LEU 330 CO 0.63 0.00 1.15 0.25 -1.33 0.00 0.00 177.39 178.09 1u1j h LEU 331 N 0.00 0.33 -1.95 2.23 6.46 -1.78 -2.21 115.31 118.40 1u1j h LEU 331 Ca 0.00 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1u1j h LEU 331 Cb 0.00 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 1u1j h LEU 331 CO 0.00 0.23 0.04 1.41 -0.62 0.00 0.00 178.44 179.50 1u1j n HIS 332 N -4.48 0.71 -4.12 1.25 8.25 -1.08 -4.44 115.22 111.30 1u1j n HIS 332 Ca 0.04 -0.35 -0.11 0.00 -0.26 0.00 0.00 57.72 57.04 1u1j n HIS 332 Cb 0.18 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 30.94 1u1j n HIS 332 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1u1j s THR 333 N -1.45 0.00 0.62 1.59 -1.32 -0.83 -4.48 115.64 109.77 1u1j s THR 333 Ca 0.17 -1.77 -0.14 0.00 -1.21 0.00 0.00 61.69 58.75 1u1j s THR 333 Cb 0.13 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.70 1u1j s THR 333 CO 0.05 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.51 1u1j s ALA 334 N -4.03 2.76 0.01 11.08 0.00 -1.26 -4.75 121.76 125.57 1u1j s ALA 334 Ca 0.33 0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1u1j s ALA 334 Cb 0.04 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1u1j s ALA 334 CO 0.12 -0.89 0.94 0.28 0.00 0.00 0.00 175.76 176.21 1u1j h VAL 335 N 0.07 0.00 -3.42 0.00 2.07 -1.87 0.18 116.25 113.27 1u1j h VAL 335 Ca -0.46 -0.05 -0.36 0.00 0.82 0.00 0.00 66.70 66.65 1u1j h VAL 335 Cb 1.21 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.63 1u1j h VAL 335 CO 0.58 0.00 -0.75 -0.62 0.02 0.00 0.00 177.57 176.80 1u1j s ASP 336 N -2.78 0.72 0.00 0.57 -1.08 -1.26 -1.00 116.67 111.84 1u1j s ASP 336 Ca -0.05 -0.01 0.20 0.00 -0.52 0.00 0.00 52.55 52.17 1u1j s ASP 336 Cb 0.00 -0.23 0.93 0.00 -1.46 0.00 0.00 42.92 42.17 1u1j s ASP 336 CO 0.14 -0.15 1.63 -0.11 0.52 0.00 0.00 175.17 177.20 1u1j n LEU 337 N 4.53 0.00 0.25 -1.34 7.94 -1.26 -2.87 117.00 124.26 1u1j n LEU 337 Ca -0.19 0.39 0.14 0.00 -1.11 0.00 0.00 56.01 55.24 1u1j n LEU 337 Cb 0.50 -0.39 0.56 0.00 0.53 0.00 0.00 43.42 44.63 1u1j n LEU 337 CO 0.17 -0.13 0.91 -0.29 -1.11 0.00 0.00 177.39 176.95 1u1j h ILE 338 N 0.00 0.18 -0.31 1.96 6.09 -2.01 -2.87 117.51 120.55 1u1j h ILE 338 Ca 0.00 -0.76 0.00 0.00 -1.37 0.00 0.00 64.86 62.73 1u1j h ILE 338 Cb 0.26 1.64 0.00 0.00 0.47 0.00 0.00 36.82 39.19 1u1j h ILE 338 CO 0.00 0.07 0.00 0.59 -3.07 0.00 0.00 178.15 175.74 1u1j n ASN 339 N -3.19 2.56 -4.32 2.19 4.13 -1.14 -4.65 115.26 110.84 1u1j n ASN 339 Ca 0.01 -2.22 -0.46 0.00 1.68 0.00 0.00 54.58 53.58 1u1j n ASN 339 Cb 0.37 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.16 1u1j n ASN 339 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1u1j s GLU 340 N -1.68 3.41 0.14 3.52 0.41 -1.09 -4.54 118.70 118.87 1u1j s GLU 340 Ca 0.24 -2.25 0.23 0.00 -0.41 0.00 0.00 54.97 52.78 1u1j s GLU 340 Cb 0.16 -4.38 0.10 0.00 -1.78 0.00 0.00 34.13 28.23 1u1j s GLU 340 CO 0.12 -1.30 1.11 0.25 -0.49 0.00 0.00 175.26 174.94 1u1j n THR 341 N 4.32 0.43 -0.11 3.63 -2.24 -1.26 -4.53 114.28 114.52 1u1j n THR 341 Ca 0.06 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.20 1u1j n THR 341 Cb 0.45 -0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 1u1j n THR 341 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u1j n LYS 342 N -2.36 0.57 -1.52 -0.78 4.76 -1.26 -4.95 118.16 112.62 1u1j n LYS 342 Ca 0.01 0.48 -0.46 0.00 -2.87 0.00 0.00 58.31 55.47 1u1j n LYS 342 Cb 0.50 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 1u1j n LYS 342 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u1j n LEU 343 N -4.39 0.66 -4.76 -0.35 4.77 -1.26 -4.87 117.00 106.80 1u1j n LEU 343 Ca -0.38 1.16 -0.40 0.00 -0.03 0.00 0.00 56.01 56.36 1u1j n LEU 343 Cb 0.72 -1.16 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1u1j n LEU 343 CO 0.14 -1.97 0.84 1.51 -1.33 0.00 0.00 177.39 176.58 1u1j s ASP 344 N -0.66 7.14 0.14 -1.43 -4.77 -1.26 -4.80 116.67 111.02 1u1j s ASP 344 Ca 0.62 2.37 -0.13 0.00 -3.30 0.00 0.00 52.55 52.12 1u1j s ASP 344 Cb -0.80 -2.63 0.11 0.00 -1.09 0.00 0.00 42.92 38.51 1u1j s ASP 344 CO 0.58 -0.25 1.00 0.47 0.70 0.00 0.00 175.17 177.66 1u1j n ASP 345 N 1.15 -0.47 -0.25 2.11 9.92 -1.26 -0.20 116.55 127.54 1u1j n ASP 345 Ca -0.01 1.13 0.05 0.00 -0.53 0.00 0.00 54.79 55.43 1u1j n ASP 345 Cb 0.44 -0.23 0.18 0.00 -0.64 0.00 0.00 41.12 40.87 1u1j n ASP 345 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1u1j h GLU 346 N 0.00 0.40 -0.11 -1.24 4.81 -2.00 -0.82 114.58 115.62 1u1j h GLU 346 Ca 0.20 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1u1j h GLU 346 Cb 0.36 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1u1j h GLU 346 CO -0.63 0.26 -0.28 0.97 -0.73 0.00 0.00 179.01 178.60 1u1j h ILE 347 N 0.41 1.38 -0.73 2.32 2.10 -0.95 -3.18 117.51 118.87 1u1j h ILE 347 Ca 0.41 -1.59 0.12 0.00 1.08 0.00 0.00 64.86 64.88 1u1j h ILE 347 Cb 0.63 2.12 -0.05 0.00 -1.09 0.00 0.00 36.82 38.43 1u1j h ILE 347 CO -0.41 0.47 0.48 0.11 -1.08 0.00 0.00 178.15 177.71 1u1j h LYS 348 N -0.03 0.49 0.00 2.19 1.57 -0.85 0.23 116.57 120.17 1u1j h LYS 348 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u1j h LYS 348 Cb 0.89 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1u1j h LYS 348 CO 0.06 0.33 0.00 -1.13 -0.57 0.00 0.00 179.45 178.14 1u1j n SER 349 N -4.49 0.35 -1.83 0.86 3.41 -0.36 -4.60 113.62 106.96 1u1j n SER 349 Ca 0.13 0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 59.25 1u1j n SER 349 Cb 0.43 -0.68 0.20 0.00 -0.26 0.00 0.00 64.21 63.90 1u1j n SER 349 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1u1j n TRP 350 N -1.92 2.13 0.00 7.33 8.01 0.79 -4.82 117.44 128.97 1u1j n TRP 350 Ca 0.01 -1.22 0.00 0.00 -1.31 0.00 0.00 57.50 54.99 1u1j n TRP 350 Cb 0.14 -0.67 0.00 0.00 -2.01 0.00 0.00 31.31 28.77 1u1j n TRP 350 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u1j n ALA 352 N -0.35 0.00 -3.46 6.99 0.00 0.32 -1.16 120.51 122.85 1u1j n ALA 352 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.73 1u1j n ALA 352 Cb 1.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.73 1u1j n ALA 352 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1u1j n PHE 353 N -0.07 -1.62 -0.16 0.00 3.01 -1.26 -4.22 117.46 113.14 1u1j n PHE 353 Ca 0.00 -0.79 -0.13 0.00 1.01 0.00 0.00 57.45 57.54 1u1j n PHE 353 Cb 0.00 -0.17 -0.10 0.00 -0.01 0.00 0.00 39.48 39.21 1u1j n PHE 353 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1j h ALA 354 N 0.63 -0.75 -0.85 4.37 0.00 -0.36 0.73 119.26 123.03 1u1j h ALA 354 Ca -0.11 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1u1j h ALA 354 Cb 0.44 1.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1u1j h ALA 354 CO 0.18 -1.04 0.55 0.00 0.00 0.00 0.00 179.25 178.94 1u1j h ALA 355 N 0.03 1.96 0.00 0.00 0.00 -1.33 0.13 119.26 120.05 1u1j h ALA 355 Ca 0.08 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1u1j h ALA 355 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1u1j h ALA 355 CO -0.63 -0.19 -0.70 1.96 0.00 0.00 0.00 179.25 179.69 1u1j h GLN 356 N 0.58 0.00 -0.01 0.00 7.50 -1.44 -3.16 115.11 118.58 1u1j h GLN 356 Ca 0.43 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.43 1u1j h GLN 356 Cb 0.80 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.32 1u1j h GLN 356 CO -0.18 0.70 -0.70 0.87 -1.50 0.00 0.00 178.83 178.03 1u1j h LYS 357 N 0.00 0.04 -0.59 1.46 1.57 0.15 -1.67 116.57 117.53 1u1j h LYS 357 Ca -0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1u1j h LYS 357 Cb 1.28 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1u1j h LYS 357 CO 0.09 0.72 0.19 0.28 -0.57 0.00 0.00 179.45 180.16 1u1j h VAL 358 N 0.03 1.22 -0.14 0.50 2.07 -1.22 -2.07 116.25 116.64 1u1j h VAL 358 Ca -0.01 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 1u1j h VAL 358 Cb 1.23 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1u1j h VAL 358 CO 0.09 0.29 -0.40 0.58 0.02 0.00 0.00 177.57 178.15 1u1j h VAL 359 N 0.86 1.36 -0.11 2.57 2.07 -1.49 -2.94 116.25 118.57 1u1j h VAL 359 Ca 0.20 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 66.06 1u1j h VAL 359 Cb 0.23 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1u1j h VAL 359 CO -0.01 0.51 -0.16 -0.33 0.02 0.00 0.00 177.57 177.60 1u1j h GLU 360 N 0.13 -0.20 -0.95 1.57 5.08 -1.11 0.18 114.58 119.29 1u1j h GLU 360 Ca -0.01 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 1u1j h GLU 360 Cb 1.02 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.21 1u1j h GLU 360 CO 0.09 -0.13 0.52 0.28 -1.00 0.00 0.00 179.01 178.77 1u1j h VAL 361 N -0.21 0.63 0.00 3.13 2.07 -1.41 -0.52 116.25 119.95 1u1j h VAL 361 Ca 0.09 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.20 1u1j h VAL 361 Cb 0.33 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1u1j h VAL 361 CO -0.23 0.11 -0.87 0.78 0.02 0.00 0.00 177.57 177.38 1u1j h ASN 362 N 0.62 0.21 -0.35 0.57 2.35 -0.97 -2.08 115.58 115.93 1u1j h ASN 362 Ca 0.56 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 56.05 1u1j h ASN 362 Cb 0.94 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1u1j h ASN 362 CO -0.43 0.98 -0.12 0.00 -1.65 0.00 0.00 177.43 176.21 1u1j h ALA 363 N 1.00 0.49 -0.51 -0.83 0.00 0.59 -1.66 119.26 118.34 1u1j h ALA 363 Ca -0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1u1j h ALA 363 Cb 1.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1u1j h ALA 363 CO 0.13 0.37 0.12 -0.07 0.00 0.00 0.00 179.25 179.80 1u1j h LEU 364 N 0.49 0.72 -0.29 0.00 3.38 -1.17 -0.41 115.31 118.02 1u1j h LEU 364 Ca 0.08 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1u1j h LEU 364 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1u1j h LEU 364 CO 0.04 0.71 -0.01 0.00 0.09 0.00 0.00 178.44 179.27 1u1j h ALA 365 N 1.38 0.40 -0.38 1.53 0.00 -1.17 -2.87 119.26 118.15 1u1j h ALA 365 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u1j h ALA 365 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1u1j h ALA 365 CO -0.00 0.16 0.22 0.87 0.00 0.00 0.00 179.25 180.49 1u1j h LYS 366 N 0.31 0.53 -0.90 0.00 1.79 -0.88 -2.36 116.57 115.06 1u1j h LYS 366 Ca 0.08 -0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.64 1u1j h LYS 366 Cb 0.45 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 1u1j h LYS 366 CO 0.02 0.41 0.58 0.00 -1.08 0.00 0.00 179.45 179.38 1u1j h ALA 367 N 1.08 1.80 0.00 3.86 0.00 -1.02 0.17 119.26 125.16 1u1j h ALA 367 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1u1j h ALA 367 Cb 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u1j h ALA 367 CO -0.02 -0.04 -0.13 -0.07 0.00 0.00 0.00 179.25 178.99 1u1j h LEU 368 N 0.72 0.00 -0.06 0.00 3.38 -1.23 -2.81 115.31 115.31 1u1j h LEU 368 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1u1j h LEU 368 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1u1j h LEU 368 CO -0.21 0.13 -0.22 0.00 0.09 0.00 0.00 178.44 178.23 1u1j n ALA 369 N -2.14 2.91 -0.38 1.53 0.00 0.44 -4.91 120.51 117.95 1u1j n ALA 369 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1u1j n ALA 369 Cb 0.49 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1u1j n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u1j n GLY 370 N 1.45 1.05 2.55 0.00 0.00 -0.65 -5.00 105.19 104.59 1u1j n GLY 370 Ca 0.08 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1u1j n GLY 370 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u1j n GLN 371 N -1.87 2.35 -1.65 1.61 6.02 -0.30 -5.00 117.38 118.53 1u1j n GLN 371 Ca 0.00 -3.88 -0.42 0.00 -0.01 0.00 0.00 57.00 52.68 1u1j n GLN 371 Cb 0.05 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.50 1u1j n GLN 371 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1u1j s LYS 372 N -3.37 3.79 -0.97 -1.09 2.20 -1.26 -4.25 119.74 114.79 1u1j s LYS 372 Ca 0.38 2.40 -0.24 0.00 -0.36 0.00 0.00 55.97 58.15 1u1j s LYS 372 Cb 0.42 -4.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1u1j s LYS 372 CO -0.07 -1.36 1.78 0.34 -0.36 0.00 0.00 175.35 175.68 1u1j s ASP 373 N 5.77 5.64 0.42 1.43 -1.08 -1.26 -4.82 116.67 122.76 1u1j s ASP 373 Ca 0.92 -1.03 0.22 0.00 -0.52 0.00 0.00 52.55 52.14 1u1j s ASP 373 Cb -0.39 -2.57 1.19 0.00 -1.46 0.00 0.00 42.92 39.70 1u1j s ASP 373 CO 0.39 -2.31 1.75 -0.08 0.52 0.00 0.00 175.17 175.44 1u1j h GLU 374 N 10.61 0.30 0.00 4.34 4.57 -2.01 0.24 114.58 132.64 1u1j h GLU 374 Ca 0.15 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1u1j h GLU 374 Cb 1.00 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1u1j h GLU 374 CO 1.29 0.20 -0.33 0.00 -1.18 0.00 0.00 179.01 178.99 1u1j h ALA 375 N 1.60 1.21 0.04 2.92 0.00 -2.00 -2.76 119.26 120.27 1u1j h ALA 375 Ca 0.63 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1u1j h ALA 375 Cb 1.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1u1j h ALA 375 CO -0.29 0.41 -0.02 -0.07 0.00 0.00 0.00 179.25 179.28 1u1j h LEU 376 N 0.00 -0.04 -1.91 0.00 3.38 -1.35 -3.16 115.31 112.23 1u1j h LEU 376 Ca -0.00 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1u1j h LEU 376 Cb 0.69 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1u1j h LEU 376 CO 0.04 0.64 -0.12 -0.26 0.09 0.00 0.00 178.44 178.84 1u1j h PHE 377 N -0.76 0.00 -0.21 1.13 -1.00 -1.54 -2.24 116.94 112.33 1u1j h PHE 377 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.58 1u1j h PHE 377 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1u1j h PHE 377 CO 0.15 0.12 -0.64 0.77 -1.61 0.00 0.00 178.31 177.10 1u1j h SER 378 N 0.00 0.87 -0.39 2.17 0.02 -1.56 -0.51 113.55 114.14 1u1j h SER 378 Ca -0.00 -0.51 -0.15 0.00 -0.84 0.00 0.00 61.79 60.29 1u1j h SER 378 Cb 0.25 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1u1j h SER 378 CO 0.02 1.29 -0.34 0.00 -1.14 0.00 0.00 176.83 176.65 1u1j h ALA 379 N 0.71 0.63 0.74 3.77 0.00 -1.46 -1.68 119.26 121.97 1u1j h ALA 379 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1u1j h ALA 379 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u1j h ALA 379 CO 0.13 0.68 -0.47 -0.97 0.00 0.00 0.00 179.25 178.61 1u1j h ASN 380 N 0.77 -1.21 -0.86 0.00 -0.73 -1.32 0.26 115.58 112.51 1u1j h ASN 380 Ca 0.07 0.07 0.15 0.00 1.87 0.00 0.00 56.30 58.46 1u1j h ASN 380 Cb 0.93 0.36 -0.09 0.00 0.27 0.00 0.00 38.32 39.78 1u1j h ASN 380 CO 0.09 -0.72 0.44 0.00 -0.37 0.00 0.00 177.43 176.87 1u1j h ALA 381 N -1.19 1.29 -0.45 1.57 0.00 -1.10 0.30 119.26 119.68 1u1j h ALA 381 Ca -0.10 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1u1j h ALA 381 Cb 0.92 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1u1j h ALA 381 CO 0.09 -0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.39 1u1j h ALA 382 N 1.56 0.59 -0.30 0.00 0.00 -0.97 0.19 119.26 120.33 1u1j h ALA 382 Ca 0.47 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1u1j h ALA 382 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1u1j h ALA 382 CO -0.36 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 178.91 1u1j h ALA 383 N 0.99 1.06 -0.40 0.00 0.00 0.93 -1.53 119.26 120.31 1u1j h ALA 383 Ca 0.14 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1u1j h ALA 383 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u1j h ALA 383 CO -0.00 0.57 -0.15 -0.07 0.00 0.00 0.00 179.25 179.60 1u1j h LEU 384 N 0.50 0.82 0.28 0.00 3.38 -0.09 -2.50 115.31 117.70 1u1j h LEU 384 Ca 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1u1j h LEU 384 Cb 0.66 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1u1j h LEU 384 CO 0.05 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.44 1u1j h ALA 385 N 0.83 -0.41 -0.09 1.53 0.00 -0.36 -1.74 119.26 119.03 1u1j h ALA 385 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1u1j h ALA 385 Cb 0.69 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1u1j h ALA 385 CO 0.05 -0.74 0.07 0.66 0.00 0.00 0.00 179.25 179.29 1u1j h SER 386 N -0.42 0.00 -0.06 0.00 4.64 -1.29 -0.89 113.55 115.53 1u1j h SER 386 Ca -0.03 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.04 1u1j h SER 386 Cb 0.34 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1u1j h SER 386 CO 0.04 0.00 -0.91 -0.09 -0.87 0.00 0.00 176.83 175.00 1u1j h ARG 387 N 0.00 0.74 -0.00 4.77 2.43 -1.02 0.73 114.38 122.03 1u1j h ARG 387 Ca 0.04 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 1u1j h ARG 387 Cb 0.17 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1u1j h ARG 387 CO -0.00 1.28 -0.04 0.54 -1.51 0.00 0.00 179.97 180.24 1u1j n ARG 388 N -3.89 0.47 -0.08 0.20 1.74 -0.69 -3.89 116.66 110.52 1u1j n ARG 388 Ca -0.09 -0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.78 1u1j n ARG 388 Cb 0.82 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.69 1u1j n ARG 388 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1u1j n SER 389 N -1.21 1.81 -4.18 0.55 3.41 -0.42 -5.01 113.62 108.57 1u1j n SER 389 Ca 0.14 0.09 -0.54 0.00 -0.26 0.00 0.00 58.87 58.30 1u1j n SER 389 Cb 0.26 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 1u1j n SER 389 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u1j n SER 390 N -3.43 -0.13 -0.72 4.04 2.88 0.24 -4.83 113.62 111.66 1u1j n SER 390 Ca -0.31 1.08 0.03 0.00 -1.33 0.00 0.00 58.87 58.34 1u1j n SER 390 Cb 0.76 -0.86 0.12 0.00 -0.75 0.00 0.00 64.21 63.48 1u1j n SER 390 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1u1j n PRO 391 N 1.35 1.96 0.05 -1.46 -0.02 -1.26 -2.72 135.00 132.89 1u1j n PRO 391 Ca 0.18 -0.98 0.11 0.00 -2.02 0.00 0.00 63.50 60.80 1u1j n PRO 391 Cb 0.09 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1u1j n PRO 391 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u1j n ARG 392 N 0.22 0.51 0.00 -0.52 1.74 -1.26 -4.65 116.66 112.70 1u1j n ARG 392 Ca 0.09 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1u1j n ARG 392 Cb 0.39 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1u1j n ARG 392 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u1j n VAL 393 N -2.35 0.00 -1.84 1.55 0.31 -1.10 -4.44 118.33 110.46 1u1j n VAL 393 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1u1j n VAL 393 Cb 0.52 -0.43 0.01 0.00 -0.91 0.00 0.00 33.84 33.03 1u1j n VAL 393 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u1j s THR 394 N 0.00 2.15 0.26 2.52 2.01 -1.23 -1.93 115.64 119.42 1u1j s THR 394 Ca 0.00 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 1u1j s THR 394 Cb 0.00 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1u1j s THR 394 CO 0.00 0.02 0.62 0.21 -0.69 0.00 0.00 174.62 174.78 1u1j s ASN 395 N -0.52 -0.20 0.00 3.53 3.84 -1.26 -4.65 114.94 115.68 1u1j s ASN 395 Ca 0.60 -0.72 0.12 0.00 0.21 0.00 0.00 52.86 53.07 1u1j s ASN 395 Cb -0.43 0.67 0.59 0.00 -0.55 0.00 0.00 41.25 41.53 1u1j s ASN 395 CO 0.55 -1.26 1.33 -0.62 -2.79 0.00 0.00 177.10 174.32 1u1j n GLU 396 N -0.43 0.12 0.28 0.43 4.71 -1.26 0.09 120.64 124.58 1u1j n GLU 396 Ca -0.03 0.21 0.18 0.00 -0.01 0.00 0.00 57.16 57.51 1u1j n GLU 396 Cb 0.60 -1.50 0.81 0.00 -1.01 0.00 0.00 31.44 30.34 1u1j n GLU 396 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1u1j h GLY 397 N 2.05 0.00 2.00 0.62 0.00 -1.95 0.08 103.07 105.87 1u1j h GLY 397 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u1j h GLY 397 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.92 1u1j n VAL 398 N -3.00 0.96 -0.12 4.60 0.31 0.11 -2.27 118.33 118.92 1u1j n VAL 398 Ca -0.00 0.24 -0.18 0.00 -0.01 0.00 0.00 64.34 64.39 1u1j n VAL 398 Cb 0.23 -1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.05 1u1j n VAL 398 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1u1j n GLN 399 N -1.57 0.61 -0.19 5.55 0.00 -0.00 -3.46 117.38 118.31 1u1j n GLN 399 Ca 0.03 0.15 0.17 0.00 -0.00 0.00 0.00 57.00 57.35 1u1j n GLN 399 Cb 0.18 -1.48 0.52 0.00 0.00 0.00 0.00 30.24 29.45 1u1j n GLN 399 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1u1j h LYS 400 N -0.06 0.38 0.00 3.69 1.79 -1.35 0.70 116.57 121.73 1u1j h LYS 400 Ca -0.55 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 57.77 1u1j h LYS 400 Cb 1.83 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.37 1u1j h LYS 400 CO -0.10 0.25 -0.60 0.00 -1.08 0.00 0.00 179.45 177.92 1u1j h ALA 401 N 1.63 0.66 0.00 3.86 0.00 -1.62 -3.00 119.26 120.79 1u1j h ALA 401 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u1j h ALA 401 Cb 0.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1u1j h ALA 401 CO -0.13 0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1u1j n ALA 402 N -2.27 2.29 0.00 0.00 0.00 0.24 -2.49 120.51 118.28 1u1j n ALA 402 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u1j n ALA 402 Cb 0.74 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1u1j n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1j n ALA 403 N -0.53 1.94 0.60 0.00 0.00 -1.04 -4.63 120.51 116.85 1u1j n ALA 403 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1u1j n ALA 403 Cb 0.01 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1u1j n ALA 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1j n ALA 404 N -1.71 1.78 -0.18 0.00 0.00 -1.04 -2.53 120.51 116.83 1u1j n ALA 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u1j n ALA 404 Cb 0.26 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 18.92 1u1j n ALA 404 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u1j n LEU 405 N -0.42 4.16 -3.67 0.00 7.99 -1.26 -4.67 117.00 119.14 1u1j n LEU 405 Ca 0.00 -2.13 -0.42 0.00 -0.01 0.00 0.00 56.01 53.45 1u1j n LEU 405 Cb 0.01 -0.63 -0.01 0.00 -0.11 0.00 0.00 43.42 42.67 1u1j n LEU 405 CO 0.00 0.56 2.60 1.17 -1.51 0.00 0.00 177.39 180.21 1u1j n LYS 406 N 0.18 2.59 0.00 3.23 4.81 -1.05 -4.89 118.16 123.03 1u1j n LYS 406 Ca 0.21 -2.38 0.00 0.00 -0.87 0.00 0.00 58.31 55.27 1u1j n LYS 406 Cb 0.91 -3.16 0.00 0.00 0.02 0.00 0.00 35.03 32.80 1u1j n LYS 406 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u1j n GLY 407 N 4.15 2.78 0.00 3.14 0.00 -1.26 -4.55 105.19 109.44 1u1j n GLY 407 Ca 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1u1j n GLY 407 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1j n SER 408 N 1.86 0.00 -2.81 1.61 3.41 -1.26 -5.03 113.62 111.40 1u1j n SER 408 Ca 0.00 -0.80 -0.01 0.00 -0.26 0.00 0.00 58.87 57.80 1u1j n SER 408 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1u1j n SER 408 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u1j n ASP 409 N -2.40 1.06 -4.64 4.04 9.92 -1.26 -5.02 116.55 118.24 1u1j n ASP 409 Ca 0.00 -2.07 -0.40 0.00 -0.53 0.00 0.00 54.79 51.79 1u1j n ASP 409 Cb 0.00 -0.29 0.03 0.00 -0.64 0.00 0.00 41.12 40.22 1u1j n ASP 409 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1u1j n HIS 410 N -0.74 1.37 -2.42 1.24 8.25 -1.26 -4.53 115.22 117.14 1u1j n HIS 410 Ca 0.03 0.49 -0.41 0.00 -0.26 0.00 0.00 57.72 57.57 1u1j n HIS 410 Cb 0.81 -2.24 -0.04 0.00 1.12 0.00 0.00 29.99 29.64 1u1j n HIS 410 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1u1j s ARG 411 N -2.38 4.53 -0.00 -0.41 3.52 -1.26 -4.71 118.95 118.24 1u1j s ARG 411 Ca 0.67 1.83 -0.00 0.00 -0.13 0.00 0.00 55.73 58.11 1u1j s ARG 411 Cb -0.49 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 29.66 1u1j s ARG 411 CO 0.53 -0.01 0.03 0.54 -0.81 0.00 0.00 175.30 175.58 1u1j n ARG 412 N 2.26 0.00 0.00 5.12 5.12 -1.24 -4.65 116.66 123.27 1u1j n ARG 412 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1u1j n ARG 412 Cb 0.45 -0.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 1u1j n ARG 412 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u1j n ALA 413 N 0.10 0.00 -3.62 7.54 0.00 -1.26 -4.65 120.51 118.62 1u1j n ALA 413 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1u1j n ALA 413 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1u1j n ALA 413 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u1j n THR 414 N 0.00 -0.35 0.00 0.00 -2.24 -1.26 -4.41 114.28 106.02 1u1j n THR 414 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1u1j n THR 414 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1u1j n THR 414 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1u1j n ASN 415 N 0.46 0.00 -0.35 3.42 2.85 -1.26 -4.06 115.26 116.32 1u1j n ASN 415 Ca -0.02 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.50 1u1j n ASN 415 Cb 0.08 0.00 0.12 0.00 1.24 0.00 0.00 39.78 41.21 1u1j n ASN 415 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1u1j n VAL 416 N 0.00 -0.42 0.06 3.44 3.14 -1.26 0.70 118.33 123.98 1u1j n VAL 416 Ca 0.00 2.21 0.05 0.00 -2.96 0.00 0.00 64.34 63.64 1u1j n VAL 416 Cb 0.00 -3.03 0.48 0.00 -1.06 0.00 0.00 33.84 30.22 1u1j n VAL 416 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1u1j h SER 417 N 0.00 0.36 -0.99 6.55 4.64 -1.84 0.74 113.55 123.00 1u1j h SER 417 Ca 0.44 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 61.19 1u1j h SER 417 Cb 0.68 -0.09 -0.30 0.00 -0.31 0.00 0.00 62.40 62.38 1u1j h SER 417 CO -0.98 0.26 0.71 0.00 -0.87 0.00 0.00 176.83 175.94 1u1j n ALA 418 N -2.49 5.80 0.00 5.18 0.00 0.22 -3.75 120.51 125.47 1u1j n ALA 418 Ca 0.02 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1u1j n ALA 418 Cb 0.08 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1u1j n ALA 418 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1u1j n ARG 419 N -1.09 2.06 0.09 0.00 0.63 0.04 -4.62 116.66 113.78 1u1j n ARG 419 Ca 0.60 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.64 1u1j n ARG 419 Cb 1.39 -0.61 0.44 0.00 0.45 0.00 0.00 32.46 34.14 1u1j n ARG 419 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1u1j n LEU 420 N -0.68 0.50 -0.05 6.15 4.77 -0.01 -2.55 117.00 125.12 1u1j n LEU 420 Ca 0.00 0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 1u1j n LEU 420 Cb 0.08 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.49 1u1j n LEU 420 CO 0.00 -0.46 0.34 0.44 -1.33 0.00 0.00 177.39 176.38 1u1j h ASP 421 N 0.00 0.08 0.49 -1.43 3.32 -1.84 -1.57 116.42 115.48 1u1j h ASP 421 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 57.03 56.08 1u1j h ASP 421 Cb 0.35 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1u1j h ASP 421 CO 0.00 1.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 1u1j h ALA 422 N 0.04 1.00 0.07 3.45 0.00 -1.78 -1.57 119.26 120.46 1u1j h ALA 422 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1u1j h ALA 422 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1u1j h ALA 422 CO 0.03 0.00 -1.16 1.96 0.00 0.00 0.00 179.25 180.07 1u1j h GLN 423 N 0.00 0.14 0.00 0.00 4.20 -1.48 -2.81 115.11 115.16 1u1j h GLN 423 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1u1j h GLN 423 Cb 0.24 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1u1j h GLN 423 CO 0.00 1.12 0.00 1.04 -0.67 0.00 0.00 178.83 180.32 1u1j n GLN 424 N -4.16 0.06 0.06 1.46 1.13 -0.59 0.26 117.38 115.61 1u1j n GLN 424 Ca -0.25 0.30 -0.21 0.00 -1.94 0.00 0.00 57.00 54.90 1u1j n GLN 424 Cb 0.78 -1.62 -0.15 0.00 0.11 0.00 0.00 30.24 29.36 1u1j n GLN 424 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1u1j h LYS 425 N 0.00 0.34 0.00 -1.09 3.64 -1.36 0.49 116.57 118.59 1u1j h LYS 425 Ca 0.00 -0.58 -0.15 0.00 -1.27 0.00 0.00 60.65 58.65 1u1j h LYS 425 Cb 0.30 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1u1j h LYS 425 CO 0.00 1.28 -0.70 -0.22 -2.27 0.00 0.00 179.45 177.54 1u1j h LYS 426 N -0.27 0.00 0.00 1.90 1.63 -1.04 -3.41 116.57 115.37 1u1j h LYS 426 Ca -0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1u1j h LYS 426 Cb 1.75 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1u1j h LYS 426 CO 0.17 0.70 -0.26 1.28 -3.45 0.00 0.00 179.45 177.88 1u1j n LEU 427 N -3.38 0.56 -1.75 5.20 4.32 0.14 -5.09 117.00 117.01 1u1j n LEU 427 Ca 0.01 0.09 -0.01 0.00 -0.02 0.00 0.00 56.01 56.07 1u1j n LEU 427 Cb 0.77 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 1u1j n LEU 427 CO 0.43 -0.46 -0.20 -3.20 -1.22 0.00 0.00 177.39 172.74 1u1j n ASN 428 N -3.06 -2.10 -3.98 -1.43 5.15 0.16 -5.02 115.26 104.98 1u1j n ASN 428 Ca -0.04 0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 54.31 1u1j n ASN 428 Cb 0.13 -2.34 -0.11 0.00 -0.53 0.00 0.00 39.78 36.94 1u1j n ASN 428 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1u1j s LEU 429 N -0.20 2.20 0.23 1.20 1.02 -1.26 -5.10 118.68 116.78 1u1j s LEU 429 Ca -0.07 -0.53 -0.30 0.00 0.02 0.00 0.00 54.13 53.25 1u1j s LEU 429 Cb 0.00 0.16 -0.10 0.00 0.02 0.00 0.00 46.19 46.27 1u1j s LEU 429 CO 0.19 -0.34 1.49 -2.16 0.02 0.00 0.00 176.35 175.55 1u1j s PRO 430 N -1.70 4.24 0.61 1.29 0.04 -1.26 -4.94 135.00 133.28 1u1j s PRO 430 Ca -0.14 2.35 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 1u1j s PRO 430 Cb -0.08 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.27 1u1j s PRO 430 CO -0.02 -0.49 0.47 -0.89 0.04 0.00 0.00 177.00 176.11 1u1j n ILE 431 N 2.71 1.99 -3.44 0.56 -0.00 -1.26 -2.89 119.36 117.03 1u1j n ILE 431 Ca 0.09 -0.47 -0.17 0.00 -0.00 0.00 0.00 62.75 62.19 1u1j n ILE 431 Cb 0.39 -0.65 0.09 0.00 -0.00 0.00 0.00 39.64 39.47 1u1j n ILE 431 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1u1j n LEU 432 N 0.45 -4.01 -4.75 1.39 7.94 -1.24 -4.97 117.00 111.81 1u1j n LEU 432 Ca 0.11 -0.62 -0.35 0.00 -1.11 0.00 0.00 56.01 54.04 1u1j n LEU 432 Cb 0.48 -3.12 0.04 0.00 0.53 0.00 0.00 43.42 41.35 1u1j n LEU 432 CO 0.51 0.39 0.81 -2.16 -1.11 0.00 0.00 177.39 175.83 1u1j s PRO 433 N -5.40 2.83 0.27 1.96 0.04 -1.14 -4.59 135.00 128.97 1u1j s PRO 433 Ca 0.03 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.83 1u1j s PRO 433 Cb -0.01 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1u1j s PRO 433 CO 0.73 -1.28 0.35 0.95 0.04 0.00 0.00 177.00 177.78 1u1j s THR 434 N -1.83 4.74 0.00 1.26 -4.23 -1.26 -0.37 115.64 113.94 1u1j s THR 434 Ca 0.74 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1u1j s THR 434 Cb -0.27 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1u1j s THR 434 CO 0.36 -0.29 0.00 1.07 -0.54 0.00 0.00 174.62 175.22 1u1j n THR 435 N -1.42 0.00 -4.00 3.99 5.66 -0.98 -2.34 114.28 115.19 1u1j n THR 435 Ca -0.06 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.68 1u1j n THR 435 Cb 0.58 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.31 1u1j n THR 435 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1u1j s THR 436 N -2.00 2.06 -0.84 1.09 -4.23 -1.26 -4.01 115.64 106.45 1u1j s THR 436 Ca 0.00 -1.59 0.24 0.00 -1.18 0.00 0.00 61.69 59.17 1u1j s THR 436 Cb 0.00 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1u1j s THR 436 CO 0.00 0.00 1.34 -0.38 -0.54 0.00 0.00 174.62 175.04 1u1j n ILE 437 N -1.47 0.13 0.00 2.99 2.08 -1.26 -4.95 119.36 116.88 1u1j n ILE 437 Ca -0.02 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1u1j n ILE 437 Cb 0.64 0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.66 1u1j n ILE 437 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u1j n GLY 438 N 1.43 -0.02 3.90 7.39 0.00 -1.26 -4.77 105.19 111.86 1u1j n GLY 438 Ca 0.04 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1u1j n GLY 438 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u1j s SER 439 N 0.00 4.96 0.25 1.61 1.04 -1.26 -3.34 113.70 116.97 1u1j s SER 439 Ca 0.00 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1u1j s SER 439 Cb 0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1u1j s SER 439 CO 0.00 -0.83 0.07 -0.36 0.98 0.00 0.00 173.24 173.11 1u1j s PHE 440 N -2.56 1.54 0.62 5.02 0.40 -1.14 -1.71 117.98 120.16 1u1j s PHE 440 Ca 0.46 -1.12 -0.18 0.00 -0.60 0.00 0.00 56.93 55.50 1u1j s PHE 440 Cb -0.03 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.54 1u1j s PHE 440 CO 0.27 -0.26 0.87 -2.30 0.70 0.00 0.00 175.22 174.51 1u1j n PRO 441 N -0.46 0.74 -4.06 0.24 -0.02 -0.39 -4.08 135.00 126.97 1u1j n PRO 441 Ca -0.01 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.52 1u1j n PRO 441 Cb 0.66 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1u1j n PRO 441 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1u1j s GLN 442 N -2.75 3.07 0.00 -0.52 -0.21 -1.26 -4.98 119.66 113.02 1u1j s GLN 442 Ca 0.75 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 55.24 1u1j s GLN 442 Cb -0.40 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 30.91 1u1j s GLN 442 CO 0.48 0.45 0.00 0.25 -2.12 0.00 0.00 175.29 174.35 1u1j n THR 443 N -0.87 0.00 -0.01 -0.19 -2.24 -1.26 -5.00 114.28 104.71 1u1j n THR 443 Ca -0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1u1j n THR 443 Cb 0.56 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1u1j n THR 443 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1u1j h VAL 444 N 0.00 0.00 -1.63 2.28 -1.51 -2.07 -3.49 116.25 109.84 1u1j h VAL 444 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1u1j h VAL 444 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 1u1j h VAL 444 CO 0.00 0.00 -0.18 -0.62 -1.23 0.00 0.00 177.57 175.54 1u1j n GLU 445 N -3.96 -1.05 -4.31 5.19 -0.58 -1.26 -5.10 120.64 109.57 1u1j n GLU 445 Ca -0.03 1.15 -0.18 0.00 -0.42 0.00 0.00 57.16 57.68 1u1j n GLU 445 Cb 0.18 -0.80 -0.15 0.00 -0.57 0.00 0.00 31.44 30.11 1u1j n GLU 445 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u1j s LEU 446 N -0.10 1.95 -0.94 -4.62 2.01 -1.26 -5.31 118.68 110.41 1u1j s LEU 446 Ca 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 54.13 53.97 1u1j s LEU 446 Cb 0.00 -0.43 0.26 0.00 0.01 0.00 0.00 46.19 46.03 1u1j s LEU 446 CO 0.00 0.09 2.11 0.54 1.01 0.00 0.00 176.35 180.10 1u1j n ARG 447 N 2.99 4.06 0.00 1.70 1.74 -1.26 -5.19 116.66 120.71 1u1j n ARG 447 Ca -0.14 -3.80 0.00 0.00 -0.77 0.00 0.00 57.85 53.14 1u1j n ARG 447 Cb 0.57 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1u1j n ARG 447 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1u1j n GLU 461 N 0.22 3.77 -0.10 5.56 0.00 -1.26 -5.31 120.64 123.52 1u1j n GLU 461 Ca 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.52 1u1j n GLU 461 Cb 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.59 1u1j n GLU 461 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1u1j n ASP 462 N 0.00 1.38 0.26 4.31 -0.08 -1.26 -4.35 116.55 116.81 1u1j n ASP 462 Ca 0.00 -0.03 -0.12 0.00 -1.51 0.00 0.00 54.79 53.12 1u1j n ASP 462 Cb 0.00 -0.05 -0.06 0.00 2.34 0.00 0.00 41.12 43.35 1u1j n ASP 462 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1u1j h TYR 463 N 0.01 -0.85 -1.20 -0.67 0.05 -2.05 -2.66 116.97 109.60 1u1j h TYR 463 Ca -0.54 -0.01 0.36 0.00 0.05 0.00 0.00 58.73 58.59 1u1j h TYR 463 Cb 2.02 0.31 -0.11 0.00 1.01 0.00 0.00 36.73 39.96 1u1j h TYR 463 CO 0.03 -0.46 0.78 -0.24 -1.05 0.00 0.00 178.16 177.21 1u1j h VAL 464 N -0.74 0.31 -0.35 -2.88 3.04 -1.99 0.34 116.25 113.98 1u1j h VAL 464 Ca -0.06 -0.07 -0.17 0.00 -1.01 0.00 0.00 66.70 65.39 1u1j h VAL 464 Cb 0.60 0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1u1j h VAL 464 CO 0.04 0.04 -0.44 0.11 -1.01 0.00 0.00 177.57 176.31 1u1j h LYS 465 N 0.21 0.90 -0.17 4.17 1.79 -1.72 -2.54 116.57 119.22 1u1j h LYS 465 Ca 0.71 -0.50 -0.21 0.00 -2.18 0.00 0.00 60.65 58.47 1u1j h LYS 465 Cb 2.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.79 1u1j h LYS 465 CO -0.34 1.15 -0.71 0.00 -1.08 0.00 0.00 179.45 178.48 1u1j h ALA 466 N 0.77 0.42 -0.61 3.86 0.00 -0.10 -3.20 119.26 120.40 1u1j h ALA 466 Ca 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1u1j h ALA 466 Cb 1.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1u1j h ALA 466 CO 0.10 0.70 0.35 0.82 0.00 0.00 0.00 179.25 181.22 1u1j h ILE 467 N 0.51 1.01 0.35 0.00 2.04 -0.85 -2.75 117.51 117.82 1u1j h ILE 467 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1u1j h ILE 467 Cb 1.32 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1u1j h ILE 467 CO 0.14 0.12 -0.39 0.11 0.00 0.00 0.00 178.15 178.13 1u1j h LYS 468 N 0.67 -0.75 -0.39 2.37 1.57 -1.46 -1.26 116.57 117.31 1u1j h LYS 468 Ca 0.26 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 1u1j h LYS 468 Cb 0.10 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1u1j h LYS 468 CO -0.14 -0.50 0.49 1.49 -0.57 0.00 0.00 179.45 180.22 1u1j h GLU 469 N -0.78 0.00 0.08 3.15 4.57 -1.49 -2.14 114.58 117.98 1u1j h GLU 469 Ca -0.02 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.94 1u1j h GLU 469 Cb 0.71 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1u1j h GLU 469 CO -0.09 0.00 -1.09 0.93 -1.18 0.00 0.00 179.01 177.58 1u1j h GLU 470 N 0.00 0.17 0.00 1.92 5.08 -0.99 -3.07 114.58 117.69 1u1j h GLU 470 Ca 0.19 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1u1j h GLU 470 Cb 1.17 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1u1j h GLU 470 CO -0.00 1.14 -0.00 0.97 -1.00 0.00 0.00 179.01 180.12 1u1j h ILE 471 N -0.54 0.06 -0.06 3.13 6.09 -0.68 0.69 117.51 126.19 1u1j h ILE 471 Ca -0.24 -0.01 -0.06 0.00 -1.37 0.00 0.00 64.86 63.18 1u1j h ILE 471 Cb 1.55 1.01 0.00 0.00 0.47 0.00 0.00 36.82 39.85 1u1j h ILE 471 CO 0.01 0.00 -0.18 0.11 -3.07 0.00 0.00 178.15 175.02 1u1j h LYS 472 N 0.00 0.23 0.00 2.19 1.79 -1.46 0.48 116.57 119.80 1u1j h LYS 472 Ca -0.00 -0.17 -0.10 0.00 -2.18 0.00 0.00 60.65 58.20 1u1j h LYS 472 Cb 0.01 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1u1j h LYS 472 CO 0.00 0.79 -0.49 0.87 -1.08 0.00 0.00 179.45 179.54 1u1j h LYS 473 N -0.28 0.00 0.00 3.15 1.57 -0.66 -1.15 116.57 119.21 1u1j h LYS 473 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u1j h LYS 473 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1u1j h LYS 473 CO 0.04 0.49 -0.04 0.28 -0.57 0.00 0.00 179.45 179.65 1u1j h VAL 474 N 0.00 0.44 -0.70 0.50 2.07 0.26 -2.20 116.25 116.62 1u1j h VAL 474 Ca -0.00 -1.34 0.20 0.00 0.82 0.00 0.00 66.70 66.38 1u1j h VAL 474 Cb 0.99 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1u1j h VAL 474 CO 0.06 0.15 0.50 0.58 0.02 0.00 0.00 177.57 178.88 1u1j h VAL 475 N -1.00 0.67 0.25 2.57 2.07 -0.11 -1.39 116.25 119.31 1u1j h VAL 475 Ca -0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1u1j h VAL 475 Cb 0.27 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1u1j h VAL 475 CO -0.00 0.01 -0.12 -0.78 0.02 0.00 0.00 177.57 176.70 1u1j h ASP 476 N 0.05 -0.28 -0.61 0.57 -0.00 -1.28 -2.96 116.42 111.91 1u1j h ASP 476 Ca 0.34 -0.21 0.12 0.00 -0.00 0.00 0.00 57.03 57.28 1u1j h ASP 476 Cb 1.27 0.07 -0.12 0.00 -0.00 0.00 0.00 39.33 40.56 1u1j h ASP 476 CO -0.02 0.22 -0.15 -0.07 -0.00 0.00 0.00 179.24 179.22 1u1j h LEU 477 N -0.96 -0.56 0.33 2.28 3.38 -0.62 2.19 115.31 121.35 1u1j h LEU 477 Ca -0.03 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1u1j h LEU 477 Cb 0.48 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1u1j h LEU 477 CO 0.06 -0.20 -0.42 1.56 0.09 0.00 0.00 178.44 179.52 1u1j h GLN 478 N 0.00 -0.75 0.00 1.13 4.20 -1.43 -2.00 115.11 116.27 1u1j h GLN 478 Ca 0.29 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1u1j h GLN 478 Cb 0.44 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1u1j h GLN 478 CO -0.63 -0.50 -0.03 1.05 -0.67 0.00 0.00 178.83 178.05 1u1j h GLU 479 N -0.77 0.00 -4.78 1.46 -0.00 -1.27 -3.30 114.58 105.91 1u1j h GLU 479 Ca -0.04 0.00 -0.58 0.00 -0.00 0.00 0.00 59.36 58.74 1u1j h GLU 479 Cb 0.69 0.00 0.09 0.00 -0.00 0.00 0.00 28.75 29.53 1u1j h GLU 479 CO -0.10 0.03 1.73 -1.91 -0.00 0.00 0.00 179.01 178.76 1u1j n GLU 480 N -3.15 0.79 0.00 1.06 4.07 0.74 -4.52 120.64 119.63 1u1j n GLU 480 Ca 0.00 -1.51 0.00 0.00 -0.06 0.00 0.00 57.16 55.60 1u1j n GLU 480 Cb 0.31 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 28.86 1u1j n GLU 480 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1u1j n LEU 481 N 9.07 0.00 0.00 4.31 4.32 -1.26 -4.03 117.00 129.40 1u1j n LEU 481 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1u1j n LEU 481 Cb 0.42 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1u1j n LEU 481 CO 1.07 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.71 1u1j n ASP 482 N 0.16 0.00 -2.73 -1.43 8.00 -1.24 -5.04 116.55 114.28 1u1j n ASP 482 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1u1j n ASP 482 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1u1j n ASP 482 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1u1j n ILE 483 N -0.77-11.74 -0.36 0.53 5.41 -1.26 -4.26 119.36 106.90 1u1j n ILE 483 Ca 0.00 1.94 0.08 0.00 1.00 0.00 0.00 62.75 65.77 1u1j n ILE 483 Cb 0.00 -6.70 0.25 0.00 -0.71 0.00 0.00 39.64 32.48 1u1j n ILE 483 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1u1j h ASP 484 N 3.27 0.92 -3.42 4.38 3.32 -1.93 -3.39 116.42 119.57 1u1j h ASP 484 Ca -0.09 0.05 -0.67 0.00 0.02 0.00 0.00 57.03 56.35 1u1j h ASP 484 Cb 0.24 -0.13 -0.31 0.00 0.22 0.00 0.00 39.33 39.35 1u1j h ASP 484 CO 0.08 0.48 -0.75 -0.69 -1.72 0.00 0.00 179.24 176.64 1u1j s VAL 485 N -5.95 2.96 0.57 -1.35 1.01 -0.99 -4.01 120.40 112.64 1u1j s VAL 485 Ca -0.12 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1u1j s VAL 485 Cb 0.23 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1u1j s VAL 485 CO 0.81 0.31 0.79 -0.76 0.00 0.00 0.00 175.10 176.25 1u1j s LEU 486 N 1.37 3.22 0.08 3.92 1.43 -0.65 -4.15 118.68 123.90 1u1j s LEU 486 Ca 0.03 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1u1j s LEU 486 Cb -0.15 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1u1j s LEU 486 CO -0.05 -1.31 0.17 -0.69 0.23 0.00 0.00 176.35 174.69 1u1j s VAL 487 N -2.73 0.15 -1.80 -1.59 1.01 -1.26 -2.75 120.40 111.44 1u1j s VAL 487 Ca 0.61 -1.24 0.29 0.00 0.00 0.00 0.00 61.98 61.63 1u1j s VAL 487 Cb -0.07 -1.36 0.49 0.00 0.00 0.00 0.00 36.38 35.44 1u1j s VAL 487 CO 0.39 -0.69 1.85 0.00 0.00 0.00 0.00 175.10 176.65 1u1j n HIS 488 N -0.04 0.00 0.00 5.22 1.44 -1.26 -4.62 115.22 115.95 1u1j n HIS 488 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1u1j n HIS 488 Cb 0.62 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1u1j n HIS 488 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1u1j n GLY 489 N 1.25 2.02 3.74 -1.39 0.00 -1.21 -4.45 105.19 105.16 1u1j n GLY 489 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1u1j n GLY 489 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u1j n GLU 490 N -2.00 -6.72 0.01 1.61 1.02 -1.26 -2.86 120.64 110.44 1u1j n GLU 490 Ca 0.00 0.72 -0.02 0.00 -0.02 0.00 0.00 57.16 57.83 1u1j n GLU 490 Cb 0.00 -5.68 0.24 0.00 -0.02 0.00 0.00 31.44 25.98 1u1j n GLU 490 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1u1j h PRO 491 N -2.38 0.49 0.00 3.49 0.13 -1.95 -2.55 132.00 129.24 1u1j h PRO 491 Ca -0.58 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1u1j h PRO 491 Cb 1.37 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1u1j h PRO 491 CO 0.61 0.64 0.00 -0.85 -0.23 0.00 0.00 178.00 178.17 1u1j n GLU 492 N -4.18 0.85 -4.35 0.86 -0.00 -1.26 -4.72 120.64 107.85 1u1j n GLU 492 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.86 1u1j n GLU 492 Cb 0.35 -1.00 -0.16 0.00 -0.00 0.00 0.00 31.44 30.62 1u1j n GLU 492 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1u1j s ARG 493 N -2.00 2.56 -0.14 3.44 0.52 -0.96 -5.01 118.95 117.36 1u1j s ARG 493 Ca 0.00 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.35 1u1j s ARG 493 Cb 0.00 -2.19 -0.24 0.00 0.52 0.00 0.00 34.95 33.04 1u1j s ARG 493 CO 0.00 -0.12 0.46 -0.91 0.02 0.00 0.00 175.30 174.75 1u1j h ASN 494 N 7.63 0.22 -0.08 0.23 -0.26 -1.85 -3.49 115.58 117.98 1u1j h ASN 494 Ca -0.35 -0.77 0.00 0.00 -0.56 0.00 0.00 56.30 54.62 1u1j h ASN 494 Cb 1.16 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1u1j h ASN 494 CO 0.54 1.52 0.00 -0.67 -1.06 0.00 0.00 177.43 177.76 1u1j n ASP 495 N -4.13 0.15 0.00 5.81 2.03 -1.26 -5.05 116.55 114.11 1u1j n ASP 495 Ca -0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1u1j n ASP 495 Cb 0.79 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1u1j n ASP 495 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1u1j n VAL 497 N 0.00 0.00 -0.05 5.18 0.31 -1.26 -1.61 118.33 120.90 1u1j n VAL 497 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1u1j n VAL 497 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1u1j n VAL 497 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1u1j h GLU 498 N 0.00 0.63 -0.89 5.55 5.08 -1.97 -2.48 114.58 120.49 1u1j h GLU 498 Ca 0.00 -0.44 0.24 0.00 -1.00 0.00 0.00 59.36 58.16 1u1j h GLU 498 Cb 0.00 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.16 1u1j h GLU 498 CO 0.00 1.05 0.15 -0.92 -1.00 0.00 0.00 179.01 178.29 1u1j h TYR 499 N 0.30 0.19 0.01 4.33 3.20 -1.71 0.32 116.97 123.61 1u1j h TYR 499 Ca -0.01 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1u1j h TYR 499 Cb 1.07 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1u1j h TYR 499 CO 0.09 -0.29 -0.19 0.74 -1.64 0.00 0.00 178.16 176.88 1u1j h PHE 500 N 0.13 0.17 -0.47 -3.82 0.04 -1.80 -3.30 116.94 107.89 1u1j h PHE 500 Ca 0.55 -0.10 0.12 0.00 2.80 0.00 0.00 57.97 61.34 1u1j h PHE 500 Cb 1.12 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 1u1j h PHE 500 CO -0.35 0.95 0.33 0.78 -0.60 0.00 0.00 178.31 179.43 1u1j h GLY 501 N -0.65 0.11 1.98 -1.45 0.00 -0.85 0.47 103.07 102.67 1u1j h GLY 501 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1u1j h GLY 501 CO 0.04 0.02 0.00 1.18 0.00 0.00 0.00 176.54 177.77 1u1j n GLU 502 N -4.42 0.01 -0.25 4.80 1.02 0.02 -2.26 120.64 119.57 1u1j n GLU 502 Ca 0.08 0.30 0.08 0.00 -0.02 0.00 0.00 57.16 57.61 1u1j n GLU 502 Cb 0.50 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.56 1u1j n GLU 502 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u1j n GLN 503 N -1.49 1.24 -4.39 3.49 6.02 0.16 -5.02 117.38 117.39 1u1j n GLN 503 Ca 0.03 -2.64 -0.23 0.00 -0.01 0.00 0.00 57.00 54.15 1u1j n GLN 503 Cb 0.13 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 1u1j n GLN 503 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u1j s LEU 504 N -2.72 2.51 0.07 1.08 1.43 -0.96 -4.33 118.68 115.77 1u1j s LEU 504 Ca 0.31 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1u1j s LEU 504 Cb 0.29 -0.94 -0.22 0.00 0.03 0.00 0.00 46.19 45.35 1u1j s LEU 504 CO 0.00 -0.01 1.21 0.28 0.23 0.00 0.00 176.35 178.05 1u1j h SER 505 N 2.78 0.88 0.00 2.29 0.02 -1.64 -3.31 113.55 114.57 1u1j h SER 505 Ca -0.41 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 1u1j h SER 505 Cb 1.23 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1u1j h SER 505 CO 0.56 1.48 0.00 0.61 -1.14 0.00 0.00 176.83 178.33 1u1j n GLY 506 N 1.00 -0.91 3.94 -3.77 0.00 -1.16 -4.86 105.19 99.42 1u1j n GLY 506 Ca -0.10 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1u1j n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1j s PHE 507 N -2.00 3.48 -0.06 1.61 0.40 -1.25 -0.11 117.98 120.06 1u1j s PHE 507 Ca 0.04 0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1u1j s PHE 507 Cb 0.02 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1u1j s PHE 507 CO 0.03 0.38 0.30 0.00 0.70 0.00 0.00 175.22 176.63 1u1j s ALA 508 N -1.92 -0.74 -0.05 5.36 0.00 0.79 -4.89 121.76 120.31 1u1j s ALA 508 Ca 0.37 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1u1j s ALA 508 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1u1j s ALA 508 CO 0.30 -0.20 -0.24 -0.06 0.00 0.00 0.00 175.76 175.56 1u1j s PHE 509 N -0.66 2.30 0.38 0.00 0.40 -1.26 -0.46 117.98 118.68 1u1j s PHE 509 Ca -0.08 -0.67 -0.07 0.00 -0.60 0.00 0.00 56.93 55.51 1u1j s PHE 509 Cb -0.04 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 1u1j s PHE 509 CO 0.02 -0.20 0.70 0.99 0.70 0.00 0.00 175.22 177.43 1u1j s THR 510 N -0.14 4.90 -0.13 0.64 2.01 -1.26 -4.79 115.64 116.87 1u1j s THR 510 Ca -0.03 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1u1j s THR 510 Cb -0.13 -3.77 -0.24 0.00 0.01 0.00 0.00 72.50 68.37 1u1j s THR 510 CO 0.03 -0.54 0.33 0.00 -0.69 0.00 0.00 174.62 173.76 1u1j n ALA 511 N -1.43 1.24 -0.68 7.40 0.00 -1.26 -4.69 120.51 121.10 1u1j n ALA 511 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1u1j n ALA 511 Cb 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1u1j n ALA 511 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u1j n ASN 512 N -3.22 0.57 -3.00 0.00 3.02 -1.26 -4.96 115.26 106.41 1u1j n ASN 512 Ca -0.29 -1.25 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 1u1j n ASN 512 Cb 1.05 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.20 1u1j n ASN 512 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u1j n GLY 513 N -0.12 2.54 3.82 7.41 0.00 -1.26 -4.80 105.19 112.77 1u1j n GLY 513 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1u1j n GLY 513 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1u1j s TRP 514 N 3.65 3.28 -0.02 1.61 0.52 -1.26 -4.35 118.94 122.37 1u1j s TRP 514 Ca 0.27 1.59 0.02 0.00 0.02 0.00 0.00 56.10 58.00 1u1j s TRP 514 Cb 0.08 -2.87 0.00 0.00 -1.15 0.00 0.00 33.47 29.53 1u1j s TRP 514 CO -0.02 -0.24 -0.06 0.08 0.02 0.00 0.00 176.95 176.73 1u1j s VAL 515 N -2.20 0.53 0.15 4.03 1.01 -0.32 -4.06 120.40 119.53 1u1j s VAL 515 Ca 0.62 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1u1j s VAL 515 Cb -0.10 -0.49 -0.07 0.00 0.00 0.00 0.00 36.38 35.72 1u1j s VAL 515 CO 0.16 0.18 1.21 -1.58 0.00 0.00 0.00 175.10 175.07 1u1j s GLN 516 N 0.22 4.46 -0.22 2.72 0.74 -1.26 -1.11 119.66 125.22 1u1j s GLN 516 Ca -0.03 1.87 0.01 0.00 0.05 0.00 0.00 55.36 57.26 1u1j s GLN 516 Cb -0.07 -3.26 -0.14 0.00 1.10 0.00 0.00 33.01 30.64 1u1j s GLN 516 CO -0.00 -0.15 -0.19 0.45 -0.55 0.00 0.00 175.29 174.84 1u1j n SER 517 N 2.94 2.30 0.00 6.67 2.88 -0.18 -4.68 113.62 123.56 1u1j n SER 517 Ca 0.06 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1u1j n SER 517 Cb 0.45 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1u1j n SER 517 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u1j n TYR 518 N -3.16 0.00 0.00 0.66 0.18 -1.07 -1.54 117.16 112.23 1u1j n TYR 518 Ca -0.38 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.40 1u1j n TYR 518 Cb 0.90 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.86 1u1j n TYR 518 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1u1j n GLY 519 N -0.29 3.67 1.00 -7.48 0.00 -1.26 -1.36 105.19 99.47 1u1j n GLY 519 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1u1j n GLY 519 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1j n SER 520 N 5.33 3.04 -4.73 1.61 3.41 -1.26 -4.86 113.62 116.15 1u1j n SER 520 Ca 0.00 -1.95 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 1u1j n SER 520 Cb 0.00 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 1u1j n SER 520 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u1j s ARG 521 N -1.74 4.40 0.39 4.33 1.81 -0.46 -4.84 118.95 122.84 1u1j s ARG 521 Ca 0.34 0.81 0.04 0.00 -1.72 0.00 0.00 55.73 55.20 1u1j s ARG 521 Cb 0.21 -3.41 -0.05 0.00 -0.45 0.00 0.00 34.95 31.25 1u1j s ARG 521 CO 0.31 0.18 0.05 0.00 -0.68 0.00 0.00 175.30 175.15 1u1j s VAL 523 N -3.06 0.56 -0.58 0.00 -7.23 -0.27 -4.84 120.40 104.98 1u1j s VAL 523 Ca 0.29 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.39 1u1j s VAL 523 Cb 0.07 -0.66 0.15 0.00 0.56 0.00 0.00 36.38 36.50 1u1j s VAL 523 CO 0.14 -0.40 0.36 -0.75 -0.31 0.00 0.00 175.10 174.15 1u1j s LYS 524 N -1.67 2.03 0.32 4.82 2.20 -1.26 -1.18 119.74 125.01 1u1j s LYS 524 Ca -0.09 -2.83 -0.29 0.00 -0.36 0.00 0.00 55.97 52.40 1u1j s LYS 524 Cb -0.09 -3.12 -0.12 0.00 -1.51 0.00 0.00 37.83 32.99 1u1j s LYS 524 CO 0.00 -1.21 1.43 -2.30 -0.36 0.00 0.00 175.35 172.91 1u1j n PRO 525 N 2.65 2.38 -1.17 4.03 -0.02 -1.26 -4.95 135.00 136.67 1u1j n PRO 525 Ca 0.13 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 62.16 1u1j n PRO 525 Cb 0.35 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.45 1u1j n PRO 525 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1u1j s PRO 526 N -1.35 1.07 -0.19 0.52 0.02 -1.26 -4.65 135.00 129.18 1u1j s PRO 526 Ca 0.59 0.80 0.00 0.00 0.02 0.00 0.00 61.00 62.41 1u1j s PRO 526 Cb -0.54 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.20 1u1j s PRO 526 CO 0.57 -2.36 -0.18 0.08 -0.33 0.00 0.00 177.00 174.78 1u1j s VAL 527 N -2.92 2.22 -0.69 3.83 1.01 0.39 -0.76 120.40 123.48 1u1j s VAL 527 Ca 0.64 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 1u1j s VAL 527 Cb -0.18 -1.94 0.14 0.00 0.00 0.00 0.00 36.38 34.39 1u1j s VAL 527 CO 0.57 0.52 0.75 -0.63 0.00 0.00 0.00 175.10 176.31 1u1j s ILE 528 N 1.31 5.07 -0.10 2.22 1.01 -0.86 -0.15 121.20 129.71 1u1j s ILE 528 Ca 0.05 -1.54 0.16 0.00 0.00 0.00 0.00 60.65 59.32 1u1j s ILE 528 Cb -0.13 -4.50 -0.16 0.00 0.01 0.00 0.00 42.46 37.67 1u1j s ILE 528 CO -0.12 -1.12 0.78 0.00 0.00 0.00 0.00 174.94 174.48 1u1j n TYR 529 N 5.58 0.99 -3.39 3.97 0.18 0.85 -1.78 117.16 123.56 1u1j n TYR 529 Ca 0.00 0.34 0.00 0.00 1.88 0.00 0.00 57.90 60.12 1u1j n TYR 529 Cb 0.44 -1.12 0.00 0.00 -0.38 0.00 0.00 39.34 38.28 1u1j n TYR 529 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1u1j n GLY 530 N 1.44 3.64 3.65 -7.48 0.00 -1.07 -4.84 105.19 100.53 1u1j n GLY 530 Ca -0.12 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1u1j n GLY 530 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1j s ASP 531 N -0.36 6.46 0.35 1.61 1.11 -0.82 -4.19 116.67 120.83 1u1j s ASP 531 Ca 0.00 2.39 -0.17 0.00 0.18 0.00 0.00 52.55 54.95 1u1j s ASP 531 Cb 0.00 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.37 1u1j s ASP 531 CO 0.00 -1.08 0.79 -0.69 1.18 0.00 0.00 175.17 175.37 1u1j s VAL 532 N 4.62 4.59 -0.28 -1.27 1.01 -1.26 -3.00 120.40 124.81 1u1j s VAL 532 Ca 0.83 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 63.70 1u1j s VAL 532 Cb -0.37 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.51 1u1j s VAL 532 CO 0.36 -0.20 1.01 -0.94 0.00 0.00 0.00 175.10 175.33 1u1j s SER 533 N -2.21 -0.48 -0.66 3.32 1.04 -1.26 -4.76 113.70 108.69 1u1j s SER 533 Ca 0.56 0.85 -0.25 0.00 0.48 0.00 0.00 55.95 57.59 1u1j s SER 533 Cb -0.10 0.98 0.05 0.00 0.10 0.00 0.00 66.02 67.05 1u1j s SER 533 CO 0.16 -0.14 1.10 -0.60 0.98 0.00 0.00 173.24 174.74 1u1j s ARG 534 N 0.63 3.22 0.10 4.02 3.52 -1.26 -1.85 118.95 127.31 1u1j s ARG 534 Ca -0.01 -0.42 -0.22 0.00 -0.13 0.00 0.00 55.73 54.95 1u1j s ARG 534 Cb -0.05 -4.16 -0.12 0.00 -1.56 0.00 0.00 34.95 29.06 1u1j s ARG 534 CO -0.10 -1.87 1.72 -1.35 -0.81 0.00 0.00 175.30 172.89 1u1j h PRO 535 N 9.69 0.12 -5.01 5.12 0.11 -1.96 -3.46 132.00 136.60 1u1j h PRO 535 Ca -0.28 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.38 1u1j h PRO 535 Cb 1.06 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.01 1u1j h PRO 535 CO 1.20 0.12 -0.58 0.15 -0.21 0.00 0.00 178.00 178.68 1u1j s LYS 536 N -6.03 1.64 0.98 1.05 1.02 -1.26 -5.21 119.74 111.93 1u1j s LYS 536 Ca -0.13 -1.94 -0.11 0.00 0.02 0.00 0.00 55.97 53.81 1u1j s LYS 536 Cb 0.07 -0.47 0.18 0.00 -0.52 0.00 0.00 37.83 37.08 1u1j s LYS 536 CO 0.68 -0.35 1.10 0.00 -0.92 0.00 0.00 175.35 175.86 1u1j s ALA 537 N -3.47 0.97 0.00 5.17 0.00 -1.26 -5.04 121.76 118.13 1u1j s ALA 537 Ca 0.34 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1u1j s ALA 537 Cb 0.06 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1u1j s ALA 537 CO 0.15 -2.98 0.00 2.41 0.00 0.00 0.00 175.76 175.35 1u1j n THR 539 N -4.36 0.00 0.00 0.00 -1.04 -1.26 -4.92 114.28 102.70 1u1j n THR 539 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1u1j n THR 539 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1u1j n THR 539 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1u1j n VAL 540 N 0.00 0.00 -0.27 12.58 0.31 -1.26 -3.05 118.33 126.64 1u1j n VAL 540 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1u1j n VAL 540 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1u1j n VAL 540 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1u1j n PHE 541 N 0.00 -0.28 -0.17 3.52 7.35 -1.26 0.19 117.46 126.81 1u1j n PHE 541 Ca 0.00 0.80 -0.10 0.00 -0.76 0.00 0.00 57.45 57.39 1u1j n PHE 541 Cb 0.00 -0.53 0.00 0.00 0.35 0.00 0.00 39.48 39.30 1u1j n PHE 541 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1u1j h TRP 542 N 0.00 0.99 -0.61 -5.13 4.06 -2.00 -3.14 115.95 110.13 1u1j h TRP 542 Ca 0.10 -0.19 -0.10 0.00 2.06 0.00 0.00 58.89 60.76 1u1j h TRP 542 Cb 0.26 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 1u1j h TRP 542 CO -0.82 0.95 0.01 0.77 -3.56 0.00 0.00 178.44 175.79 1u1j h SER 543 N 0.75 1.05 0.00 -3.49 0.02 -1.53 -1.80 113.55 108.55 1u1j h SER 543 Ca 0.13 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1u1j h SER 543 Cb 0.59 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1u1j h SER 543 CO 0.04 1.09 0.00 0.00 -1.14 0.00 0.00 176.83 176.82 1u1j n ALA 544 N -2.48 1.65 0.00 3.77 0.00 0.13 -2.14 120.51 121.44 1u1j n ALA 544 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1u1j n ALA 544 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1u1j n ALA 544 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1j n ALA 546 N 0.53 0.00 -2.56 0.00 0.00 -0.68 -4.31 120.51 113.50 1u1j n ALA 546 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1u1j n ALA 546 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1u1j n ALA 546 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1u1j n GLN 547 N 0.00 3.37 0.00 0.00 -0.06 -0.91 -4.19 117.38 115.59 1u1j n GLN 547 Ca 0.00 -3.52 0.00 0.00 -2.00 0.00 0.00 57.00 51.48 1u1j n GLN 547 Cb 0.00 -3.10 0.00 0.00 -4.06 0.00 0.00 30.24 23.08 1u1j n GLN 547 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1u1j n SER 548 N 5.51 0.00 0.00 1.69 3.41 -1.26 -5.10 113.62 117.87 1u1j n SER 548 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1u1j n SER 548 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1u1j n SER 548 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1u1j n THR 550 N 0.00 0.00 0.38 6.66 5.66 -1.26 -5.12 114.28 120.60 1u1j n THR 550 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 1u1j n THR 550 Cb 0.00 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 68.96 1u1j n THR 550 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1u1j n SER 551 N 0.00 3.22 -4.97 1.09 3.41 -1.26 -4.96 113.62 110.14 1u1j n SER 551 Ca 0.00 -1.94 -0.21 0.00 -0.26 0.00 0.00 58.87 56.46 1u1j n SER 551 Cb 0.00 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 1u1j n SER 551 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u1j s ARG 552 N -1.46 3.36 0.13 4.33 0.52 -1.26 -5.21 118.95 119.35 1u1j s ARG 552 Ca 0.33 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1u1j s ARG 552 Cb 0.20 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.84 1u1j s ARG 552 CO 0.28 0.32 0.09 -2.30 0.02 0.00 0.00 175.30 173.71 1u1j n PRO 553 N -1.48 -1.99 -3.67 3.54 -0.02 -1.26 -4.90 135.00 125.23 1u1j n PRO 553 Ca -0.07 -0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.19 1u1j n PRO 553 Cb 0.57 -0.17 -0.09 0.00 -0.02 0.00 0.00 33.50 33.80 1u1j n PRO 553 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1u1j s LYS 555 N -3.20 0.52 0.00 -0.52 -2.85 -1.11 -1.64 119.74 110.94 1u1j s LYS 555 Ca 0.06 1.05 0.00 0.00 -1.00 0.00 0.00 55.97 56.08 1u1j s LYS 555 Cb -0.01 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1u1j s LYS 555 CO 0.05 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.74 1u1j n GLY 556 N 4.53 -1.81 0.00 0.59 0.00 -0.31 -4.74 105.19 103.46 1u1j n GLY 556 Ca -0.19 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1u1j n GLY 556 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u1j n LEU 558 N 0.00 0.00 -4.53 0.99 4.77 -0.14 -0.20 117.00 117.89 1u1j n LEU 558 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1u1j n LEU 558 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1u1j n LEU 558 CO 0.00 0.00 -0.29 -0.89 -1.33 0.00 0.00 177.39 174.88 1u1j s THR 559 N -2.00 4.40 0.89 -5.08 2.01 -1.26 -1.32 115.64 113.27 1u1j s THR 559 Ca 0.00 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 1u1j s THR 559 Cb 0.00 -3.00 0.07 0.00 0.01 0.00 0.00 72.50 69.58 1u1j s THR 559 CO 0.00 0.42 0.77 0.61 -0.69 0.00 0.00 174.62 175.74 1u1j n GLY 560 N 4.03 -1.13 0.25 4.40 0.00 0.13 -4.84 105.19 108.04 1u1j n GLY 560 Ca -0.17 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.35 1u1j n GLY 560 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u1j h PRO 561 N -1.38 0.00 -0.06 1.61 0.13 -1.89 -3.01 132.00 127.41 1u1j h PRO 561 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1u1j h PRO 561 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1u1j h PRO 561 CO 0.39 0.10 -0.15 0.28 -0.23 0.00 0.00 178.00 178.39 1u1j h VAL 562 N 0.00 1.43 -0.12 1.56 2.07 -1.90 -2.70 116.25 116.59 1u1j h VAL 562 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1u1j h VAL 562 Cb 0.59 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1u1j h VAL 562 CO 0.01 0.42 0.06 0.74 0.02 0.00 0.00 177.57 178.82 1u1j h THR 563 N -0.30 1.11 -0.87 2.57 2.02 -1.80 -0.80 112.91 114.84 1u1j h THR 563 Ca -0.00 -0.32 0.11 0.00 0.77 0.00 0.00 66.41 66.96 1u1j h THR 563 Cb 0.76 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 1u1j h THR 563 CO 0.03 0.10 0.56 0.40 0.37 0.00 0.00 175.52 176.99 1u1j h ILE 564 N 0.07 0.92 0.13 3.11 2.04 -1.62 -1.70 117.51 120.47 1u1j h ILE 564 Ca 0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1u1j h ILE 564 Cb 0.11 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1u1j h ILE 564 CO -0.01 0.14 -0.06 0.25 0.00 0.00 0.00 178.15 178.48 1u1j h LEU 565 N 0.79 -0.15 -1.24 1.44 5.85 -1.10 -3.30 115.31 117.61 1u1j h LEU 565 Ca 0.41 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1u1j h LEU 565 Cb 0.50 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1u1j h LEU 565 CO -0.18 0.29 0.44 0.78 -0.34 0.00 0.00 178.44 179.43 1u1j h ASN 566 N -0.61 0.84 -0.66 1.25 2.35 -0.81 -2.96 115.58 114.98 1u1j h ASN 566 Ca -0.02 -0.04 -0.40 0.00 -0.55 0.00 0.00 56.30 55.29 1u1j h ASN 566 Cb 0.47 -0.21 -0.20 0.00 0.05 0.00 0.00 38.32 38.44 1u1j h ASN 566 CO 0.03 0.63 0.52 0.79 -1.65 0.00 0.00 177.43 177.75 1u1j n TRP 567 N -4.40 2.09 -4.10 1.19 8.01 -0.67 -4.88 117.44 114.68 1u1j n TRP 567 Ca 0.07 -1.95 -0.10 0.00 -1.31 0.00 0.00 57.50 54.22 1u1j n TRP 567 Cb 0.06 -0.96 -0.09 0.00 -2.01 0.00 0.00 31.31 28.31 1u1j n TRP 567 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1u1j s SER 568 N -0.52 0.19 -0.59 -0.99 0.01 -1.12 -4.14 113.70 106.55 1u1j s SER 568 Ca 0.41 -1.13 -0.20 0.00 1.31 0.00 0.00 55.95 56.34 1u1j s SER 568 Cb 0.33 0.36 0.08 0.00 0.21 0.00 0.00 66.02 67.00 1u1j s SER 568 CO 0.03 -0.81 0.77 -0.36 0.41 0.00 0.00 173.24 173.28 1u1j s PHE 569 N -4.04 2.91 0.24 2.43 0.08 0.06 -4.93 117.98 114.73 1u1j s PHE 569 Ca 0.24 -0.68 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 1u1j s PHE 569 Cb 0.06 -3.98 -0.09 0.00 -0.57 0.00 0.00 43.02 38.44 1u1j s PHE 569 CO 0.03 -1.33 0.81 0.08 -0.10 0.00 0.00 175.22 174.71 1u1j s VAL 570 N 3.14 4.41 0.19 -0.44 1.01 -1.26 -2.04 120.40 125.41 1u1j s VAL 570 Ca 0.17 1.55 -0.33 0.00 0.00 0.00 0.00 61.98 63.37 1u1j s VAL 570 Cb -0.20 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 1u1j s VAL 570 CO 0.10 0.25 1.58 -2.11 0.00 0.00 0.00 175.10 174.92 1u1j n ARG 571 N 0.85 2.31 -0.73 2.72 1.85 -0.74 -4.89 116.66 118.03 1u1j n ARG 571 Ca -0.02 0.83 -0.14 0.00 -1.00 0.00 0.00 57.85 57.53 1u1j n ARG 571 Cb 0.50 -2.60 0.11 0.00 -1.05 0.00 0.00 32.46 29.43 1u1j n ARG 571 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1u1j n ASN 572 N 3.23 3.47 -0.36 2.89 6.94 -1.26 -4.16 115.26 126.00 1u1j n ASN 572 Ca 0.15 -2.95 0.04 0.00 -0.02 0.00 0.00 54.58 51.81 1u1j n ASN 572 Cb 0.31 -0.70 0.05 0.00 -2.36 0.00 0.00 39.78 37.08 1u1j n ASN 572 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1u1j n ASP 573 N -0.46 1.84 -3.58 0.53 5.68 -1.26 -5.03 116.55 114.27 1u1j n ASP 573 Ca 0.35 -1.43 -0.12 0.00 -0.50 0.00 0.00 54.79 53.09 1u1j n ASP 573 Cb 1.19 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 41.11 1u1j n ASP 573 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1u1j s GLN 574 N -0.75 1.10 0.39 0.11 -2.07 -1.26 -5.14 119.66 112.03 1u1j s GLN 574 Ca 0.11 -0.55 -0.27 0.00 -1.82 0.00 0.00 55.36 52.83 1u1j s GLN 574 Cb 0.07 0.49 -0.11 0.00 -1.09 0.00 0.00 33.01 32.38 1u1j s GLN 574 CO 0.11 -0.43 1.33 -2.30 -1.32 0.00 0.00 175.29 172.67 1u1j n PRO 575 N -0.09 2.14 -0.16 9.60 -0.02 -1.26 -4.89 135.00 140.32 1u1j n PRO 575 Ca -0.17 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1u1j n PRO 575 Cb 0.63 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1u1j n PRO 575 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u1j h ARG 576 N 2.39 -0.16 -0.69 -0.52 3.08 -2.00 -1.76 114.38 114.72 1u1j h ARG 576 Ca -0.48 0.01 0.13 0.00 0.07 0.00 0.00 59.98 59.71 1u1j h ARG 576 Cb 1.28 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.28 1u1j h ARG 576 CO 0.61 -0.11 0.25 1.12 -1.07 0.00 0.00 179.97 180.77 1u1j h HIS 577 N -0.17 0.42 -0.87 3.04 2.07 -1.97 0.14 115.15 117.81 1u1j h HIS 577 Ca 0.22 0.04 0.13 0.00 -2.85 0.00 0.00 60.37 57.90 1u1j h HIS 577 Cb 0.52 -0.08 -0.09 0.00 2.57 0.00 0.00 27.41 30.34 1u1j h HIS 577 CO -0.56 0.05 0.48 1.49 -3.07 0.00 0.00 177.93 176.32 1u1j h GLU 578 N 0.40 0.71 -0.21 5.12 4.81 -1.69 0.51 114.58 124.23 1u1j h GLU 578 Ca 0.37 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.37 1u1j h GLU 578 Cb 0.54 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1u1j h GLU 578 CO -0.39 0.47 -0.61 1.15 -0.73 0.00 0.00 179.01 178.90 1u1j h THR 579 N 0.73 1.30 -0.44 0.32 2.02 -0.85 -3.05 112.91 112.94 1u1j h THR 579 Ca 0.46 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1u1j h THR 579 Cb 0.57 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1u1j h THR 579 CO -0.32 0.58 0.27 0.00 0.37 0.00 0.00 175.52 176.43 1u1j h TYR 581 N 0.59 0.20 -0.39 0.00 0.05 -0.14 -0.39 116.97 116.89 1u1j h TYR 581 Ca 0.16 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1u1j h TYR 581 Cb -0.02 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1u1j h TYR 581 CO -0.03 0.22 0.02 1.96 -1.05 0.00 0.00 178.16 179.28 1u1j h GLN 582 N 0.20 0.68 -0.72 4.88 4.20 -1.31 -1.50 115.11 121.54 1u1j h GLN 582 Ca 0.05 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1u1j h GLN 582 Cb 0.16 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1u1j h GLN 582 CO 0.00 0.76 0.33 0.82 -0.67 0.00 0.00 178.83 180.07 1u1j h ILE 583 N 0.51 1.24 -0.91 2.54 2.04 -0.83 -2.43 117.51 119.68 1u1j h ILE 583 Ca 0.11 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1u1j h ILE 583 Cb 0.44 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1u1j h ILE 583 CO 0.02 0.29 0.60 0.00 0.00 0.00 0.00 178.15 179.05 1u1j h ALA 584 N 1.16 1.17 -0.68 1.87 0.00 -0.80 -1.40 119.26 120.58 1u1j h ALA 584 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1u1j h ALA 584 Cb 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1u1j h ALA 584 CO -0.03 0.51 0.26 -0.07 0.00 0.00 0.00 179.25 179.92 1u1j h LEU 585 N 1.19 0.93 -0.35 0.00 4.07 -0.85 0.57 115.31 120.88 1u1j h LEU 585 Ca 0.35 -0.14 -0.17 0.00 0.08 0.00 0.00 57.88 57.99 1u1j h LEU 585 Cb -0.08 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.42 1u1j h LEU 585 CO -0.09 0.84 -0.48 0.00 -1.08 0.00 0.00 178.44 177.62 1u1j h ALA 586 N 1.30 0.52 -0.36 1.53 0.00 -0.94 -3.04 119.26 118.27 1u1j h ALA 586 Ca 0.23 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1u1j h ALA 586 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u1j h ALA 586 CO -0.02 0.68 -0.28 0.82 0.00 0.00 0.00 179.25 180.46 1u1j h ILE 587 N 0.71 1.28 -1.00 0.00 1.08 -1.05 -2.77 117.51 115.75 1u1j h ILE 587 Ca 0.03 -1.40 0.23 0.00 -0.39 0.00 0.00 64.86 63.33 1u1j h ILE 587 Cb 1.08 1.30 -0.10 0.00 -3.07 0.00 0.00 36.82 36.03 1u1j h ILE 587 CO 0.11 0.46 0.63 0.50 -0.69 0.00 0.00 178.15 179.17 1u1j h LYS 588 N 0.64 0.50 0.57 2.37 3.64 -0.77 -1.75 116.57 121.76 1u1j h LYS 588 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1u1j h LYS 588 Cb 0.79 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1u1j h LYS 588 CO 0.07 0.33 -0.27 -0.44 -2.27 0.00 0.00 179.45 176.86 1u1j h ASP 589 N 0.51 -0.65 -1.00 4.20 3.32 -1.47 -2.45 116.42 118.88 1u1j h ASP 589 Ca 0.57 -0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.81 1u1j h ASP 589 Cb 1.26 0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.88 1u1j h ASP 589 CO -0.32 -0.34 0.63 -0.33 -1.72 0.00 0.00 179.24 177.16 1u1j h GLU 590 N -0.95 0.55 -0.81 3.56 4.39 -1.42 0.51 114.58 120.41 1u1j h GLU 590 Ca -0.08 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1u1j h GLU 590 Cb 0.64 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1u1j h GLU 590 CO 0.13 0.36 0.35 0.28 -1.16 0.00 0.00 179.01 178.97 1u1j h VAL 591 N 0.57 1.26 0.00 3.13 2.07 -1.25 0.24 116.25 122.27 1u1j h VAL 591 Ca 0.58 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1u1j h VAL 591 Cb 1.18 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1u1j h VAL 591 CO -0.34 0.33 -0.00 -0.62 0.02 0.00 0.00 177.57 176.96 1u1j n GLU 592 N -4.29 0.24 -0.03 1.57 1.02 0.15 -2.59 120.64 116.71 1u1j n GLU 592 Ca 0.08 0.20 0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1u1j n GLU 592 Cb 0.17 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.67 1u1j n GLU 592 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1u1j n ASP 593 N -2.21 0.23 0.15 1.62 10.43 0.39 -2.91 116.55 124.24 1u1j n ASP 593 Ca 0.06 0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.52 1u1j n ASP 593 Cb 0.42 1.16 0.21 0.00 1.84 0.00 0.00 41.12 44.75 1u1j n ASP 593 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1u1j h LEU 594 N 0.00 0.00 0.14 0.64 4.07 -0.52 -1.71 115.31 117.93 1u1j h LEU 594 Ca -0.23 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1u1j h LEU 594 Cb 1.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.32 1u1j h LEU 594 CO 0.02 0.57 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.80 1u1j h GLU 595 N 0.00 -0.18 0.00 1.13 4.81 -1.61 0.20 114.58 118.94 1u1j h GLU 595 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1u1j h GLU 595 Cb 1.04 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1u1j h GLU 595 CO 0.07 0.26 0.10 0.87 -0.73 0.00 0.00 179.01 179.58 1u1j h LYS 596 N -0.90 0.00 0.00 1.92 1.57 -1.51 0.37 116.57 118.02 1u1j h LYS 596 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1u1j h LYS 596 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1u1j h LYS 596 CO 0.03 0.00 -0.43 0.41 -0.57 0.00 0.00 179.45 178.89 1u1j n GLY 597 N -1.22 -1.37 0.00 3.86 0.00 -0.65 -4.93 105.19 100.88 1u1j n GLY 597 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1u1j n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1j n GLY 598 N 1.44 1.15 3.53 -0.02 0.00 0.13 -4.92 105.19 106.50 1u1j n GLY 598 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1u1j n GLY 598 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1j s ILE 599 N -2.00 4.77 -0.62 -0.61 1.09 0.05 -4.89 121.20 118.98 1u1j s ILE 599 Ca 0.00 0.29 0.24 0.00 -1.10 0.00 0.00 60.65 60.07 1u1j s ILE 599 Cb 0.00 -4.23 -0.00 0.00 -1.06 0.00 0.00 42.46 37.16 1u1j s ILE 599 CO 0.00 -0.61 1.22 0.61 -0.10 0.00 0.00 174.94 176.06 1u1j n GLY 600 N 4.97 -1.35 3.10 6.18 0.00 -1.26 -4.17 105.19 112.65 1u1j n GLY 600 Ca -0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1u1j n GLY 600 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1j s VAL 601 N -3.18 1.69 -0.07 1.61 1.01 -1.26 0.07 120.40 120.27 1u1j s VAL 601 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1u1j s VAL 601 Cb 0.14 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1u1j s VAL 601 CO 0.75 0.48 -0.10 -0.63 0.00 0.00 0.00 175.10 175.60 1u1j s ILE 602 N 0.92 0.99 -0.16 2.22 1.01 -0.39 -1.16 121.20 124.63 1u1j s ILE 602 Ca -0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1u1j s ILE 602 Cb -0.15 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1u1j s ILE 602 CO -0.01 0.33 0.03 -1.58 0.00 0.00 0.00 174.94 173.71 1u1j s GLN 603 N 0.92 3.79 -0.22 2.79 0.74 0.72 -0.18 119.66 128.23 1u1j s GLN 603 Ca -0.10 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 54.92 1u1j s GLN 603 Cb -0.15 -3.10 0.06 0.00 1.10 0.00 0.00 33.01 30.92 1u1j s GLN 603 CO 0.01 0.32 -0.04 0.42 -0.55 0.00 0.00 175.29 175.45 1u1j s ILE 604 N 0.20 1.33 -0.05 -2.34 1.01 0.12 -0.96 121.20 120.51 1u1j s ILE 604 Ca 0.02 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1u1j s ILE 604 Cb -0.13 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 1u1j s ILE 604 CO 0.01 -0.08 0.48 1.51 0.00 0.00 0.00 174.94 176.86 1u1j s ASP 605 N 1.49 6.80 -0.63 3.58 1.47 -0.43 -2.77 116.67 126.18 1u1j s ASP 605 Ca -0.04 0.95 0.06 0.00 1.18 0.00 0.00 52.55 54.70 1u1j s ASP 605 Cb -0.18 -2.29 0.24 0.00 -0.34 0.00 0.00 42.92 40.35 1u1j s ASP 605 CO -0.07 0.15 0.71 -0.62 0.68 0.00 0.00 175.17 176.02 1u1j n GLU 606 N 2.76 2.34 -0.19 2.11 -0.58 0.17 0.23 120.64 127.48 1u1j n GLU 606 Ca -0.10 -4.55 -0.07 0.00 -0.42 0.00 0.00 57.16 52.02 1u1j n GLU 606 Cb 0.52 -2.18 0.02 0.00 -0.57 0.00 0.00 31.44 29.22 1u1j n GLU 606 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u1j h ALA 607 N 4.27 0.70 -0.99 0.62 0.00 -1.95 -3.18 119.26 118.73 1u1j h ALA 607 Ca 0.19 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 54.32 1u1j h ALA 607 Cb 0.68 -0.22 -0.32 0.00 0.00 0.00 0.00 17.79 17.94 1u1j h ALA 607 CO 0.80 0.24 0.47 0.00 0.00 0.00 0.00 179.25 180.76 1u1j n ALA 608 N -2.31 6.03 -0.18 0.00 0.00 -1.26 -4.02 120.51 118.77 1u1j n ALA 608 Ca 0.03 -3.73 -0.05 0.00 0.00 0.00 0.00 53.44 49.69 1u1j n ALA 608 Cb 0.10 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.22 1u1j n ALA 608 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u1j h LEU 609 N 2.27 0.92 0.00 0.00 5.85 -1.90 -3.01 115.31 119.45 1u1j h LEU 609 Ca 0.53 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1u1j h LEU 609 Cb 0.81 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1u1j h LEU 609 CO 1.35 0.91 -0.22 -1.14 -0.34 0.00 0.00 178.44 179.00 1u1j n ARG 610 N -4.23 0.01 0.22 1.25 0.63 -1.26 -4.23 116.66 109.05 1u1j n ARG 610 Ca 0.04 0.01 0.07 0.00 -0.92 0.00 0.00 57.85 57.05 1u1j n ARG 610 Cb 0.27 -1.51 0.52 0.00 0.45 0.00 0.00 32.46 32.19 1u1j n ARG 610 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1u1j h GLU 611 N 0.00 0.00 -0.31 -0.14 4.39 -1.89 -2.80 114.58 113.84 1u1j h GLU 611 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u1j h GLU 611 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1u1j h GLU 611 CO 0.00 0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.49 1u1j n GLY 612 N -0.63 0.70 3.65 -3.84 0.00 -1.26 -4.86 105.19 98.95 1u1j n GLY 612 Ca -0.02 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 1u1j n GLY 612 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u1j n LEU 613 N 0.59 3.74 -4.44 0.99 4.77 -1.06 -4.94 117.00 116.66 1u1j n LEU 613 Ca 0.15 0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 56.58 1u1j n LEU 613 Cb 0.35 -1.48 0.12 0.00 -2.33 0.00 0.00 43.42 40.09 1u1j n LEU 613 CO 0.11 -0.06 -0.00 -2.65 -1.33 0.00 0.00 177.39 173.46 1u1j n PRO 614 N 7.56 -0.28 0.09 3.23 -0.02 -1.26 -4.89 135.00 139.43 1u1j n PRO 614 Ca 0.23 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1u1j n PRO 614 Cb 0.38 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1u1j n PRO 614 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u1j h LEU 615 N -1.54 0.00 -9.14 2.45 3.38 -1.91 -3.44 115.31 105.11 1u1j h LEU 615 Ca -0.43 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.96 1u1j h LEU 615 Cb 1.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1u1j h LEU 615 CO 0.35 0.61 0.81 -0.60 0.09 0.00 0.00 178.44 179.70 1u1j s ARG 616 N -2.90 4.27 0.33 1.13 6.06 -1.26 -4.67 118.95 121.91 1u1j s ARG 616 Ca 0.01 1.49 0.01 0.00 -2.50 0.00 0.00 55.73 54.75 1u1j s ARG 616 Cb 0.08 -3.67 0.58 0.00 0.06 0.00 0.00 34.95 32.00 1u1j s ARG 616 CO 0.78 -0.61 1.99 0.87 -2.50 0.00 0.00 175.30 175.82 1u1j h LYS 617 N 7.68 0.92 0.00 5.12 1.57 -1.99 -1.07 116.57 128.81 1u1j h LYS 617 Ca -0.24 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1u1j h LYS 617 Cb 1.09 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1u1j h LYS 617 CO 0.96 0.61 0.00 -1.13 -0.57 0.00 0.00 179.45 179.31 1u1j n SER 618 N -4.44 0.00 -0.66 0.86 3.41 -1.26 -1.72 113.62 109.81 1u1j n SER 618 Ca 0.08 -0.49 0.09 0.00 -0.26 0.00 0.00 58.87 58.29 1u1j n SER 618 Cb 0.07 -0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1u1j n SER 618 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u1j n GLU 619 N -1.03 1.51 0.06 4.33 1.02 -0.41 -4.54 120.64 121.59 1u1j n GLU 619 Ca 0.13 -1.45 -0.13 0.00 -0.02 0.00 0.00 57.16 55.69 1u1j n GLU 619 Cb 0.07 -1.34 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 1u1j n GLU 619 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1u1j h HIS 620 N 3.26 -0.11 -0.62 -0.32 3.86 -1.38 -3.25 115.15 116.59 1u1j h HIS 620 Ca 0.00 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1u1j h HIS 620 Cb 0.72 0.04 -0.11 0.00 1.06 0.00 0.00 27.41 29.12 1u1j h HIS 620 CO 0.00 0.14 -0.46 0.00 0.86 0.00 0.00 177.93 178.47 1u1j h ALA 621 N 0.52 -0.36 -1.00 2.45 0.00 -1.80 -1.49 119.26 117.59 1u1j h ALA 621 Ca -0.01 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1u1j h ALA 621 Cb 0.30 1.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1u1j h ALA 621 CO 0.02 -0.85 0.63 0.35 0.00 0.00 0.00 179.25 179.40 1u1j h PHE 622 N -0.22 1.15 0.33 0.00 3.57 -1.87 -2.45 116.94 117.46 1u1j h PHE 622 Ca 0.18 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1u1j h PHE 622 Cb 0.56 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1u1j h PHE 622 CO -0.75 0.48 -0.16 -0.92 -2.23 0.00 0.00 178.31 174.73 1u1j h TYR 623 N 1.02 -0.41 -0.42 0.41 3.20 -1.33 -2.83 116.97 116.60 1u1j h TYR 623 Ca 0.48 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.47 1u1j h TYR 623 Cb 0.43 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1u1j h TYR 623 CO -0.01 -0.08 0.34 -0.07 -1.64 0.00 0.00 178.16 176.70 1u1j h LEU 624 N -0.80 0.00 0.31 2.82 3.38 -1.27 0.79 115.31 120.54 1u1j h LEU 624 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1u1j h LEU 624 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1u1j h LEU 624 CO 0.07 0.00 -0.15 -0.78 0.09 0.00 0.00 178.44 177.68 1u1j h ASP 625 N 0.00 -0.35 0.35 -0.43 3.58 -1.39 -1.51 116.42 116.67 1u1j h ASP 625 Ca 0.20 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 1u1j h ASP 625 Cb 0.87 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1u1j h ASP 625 CO -0.00 -0.09 -0.17 4.11 -2.88 0.00 0.00 179.24 180.21 1u1j h TRP 626 N -0.73 0.00 0.01 0.28 5.08 -1.26 0.12 115.95 119.45 1u1j h TRP 626 Ca -0.04 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.93 1u1j h TRP 626 Cb 0.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 1u1j h TRP 626 CO 0.04 0.17 -0.01 0.00 -1.28 0.00 0.00 178.44 177.36 1u1j h ALA 627 N 1.83 -0.02 -0.53 0.11 0.00 -0.91 -1.63 119.26 118.11 1u1j h ALA 627 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1u1j h ALA 627 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u1j h ALA 627 CO 0.02 -0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.27 1u1j h VAL 628 N -0.46 1.26 -0.34 0.00 2.07 -0.97 -2.97 116.25 114.85 1u1j h VAL 628 Ca -0.00 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1u1j h VAL 628 Cb 0.45 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1u1j h VAL 628 CO 0.00 0.39 0.09 -0.74 0.02 0.00 0.00 177.57 177.33 1u1j h HIS 629 N 0.81 0.17 -0.98 1.57 6.17 -0.78 -1.28 115.15 120.82 1u1j h HIS 629 Ca 0.15 0.02 0.22 0.00 0.71 0.00 0.00 60.37 61.47 1u1j h HIS 629 Cb 0.52 -0.02 -0.09 0.00 2.52 0.00 0.00 27.41 30.34 1u1j h HIS 629 CO 0.04 0.06 0.63 0.77 0.71 0.00 0.00 177.93 180.13 1u1j h SER 630 N 0.23 0.56 -0.44 3.26 0.02 -1.14 0.25 113.55 116.28 1u1j h SER 630 Ca 0.16 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1u1j h SER 630 Cb 0.15 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1u1j h SER 630 CO -0.18 0.18 -0.06 0.15 -1.14 0.00 0.00 176.83 175.78 1u1j h PHE 631 N 0.53 0.91 -0.52 3.45 3.57 -1.11 -3.13 116.94 120.65 1u1j h PHE 631 Ca 0.55 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 1u1j h PHE 631 Cb 1.18 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1u1j h PHE 631 CO -0.00 0.91 -0.14 0.00 -2.23 0.00 0.00 178.31 176.84 1u1j h ARG 632 N 0.65 1.00 -0.26 1.11 3.08 -0.61 -2.08 114.38 117.27 1u1j h ARG 632 Ca 0.12 -0.38 0.07 0.00 0.07 0.00 0.00 59.98 59.86 1u1j h ARG 632 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1u1j h ARG 632 CO 0.04 1.06 0.30 0.82 -1.07 0.00 0.00 179.97 181.12 1u1j h ILE 633 N 0.88 0.40 -0.45 2.04 2.04 -1.08 0.18 117.51 121.52 1u1j h ILE 633 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 1u1j h ILE 633 Cb 0.71 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1u1j h ILE 633 CO 0.05 0.00 -0.06 0.74 0.00 0.00 0.00 178.15 178.88 1u1j h THR 634 N 0.00 1.27 0.00 -0.27 2.02 -1.32 -3.36 112.91 111.25 1u1j h THR 634 Ca 0.12 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1u1j h THR 634 Cb 0.72 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1u1j h THR 634 CO -0.00 0.39 -0.16 -0.46 0.37 0.00 0.00 175.52 175.67 1u1j n ASN 635 N -4.31 1.40 0.24 4.18 0.23 -0.63 -4.14 115.26 112.23 1u1j n ASN 635 Ca -0.00 -2.47 0.08 0.00 -0.53 0.00 0.00 54.58 51.66 1u1j n ASN 635 Cb 0.35 -0.28 0.61 0.00 -2.08 0.00 0.00 39.78 38.38 1u1j n ASN 635 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u1j n GLY 637 N -0.98 2.73 3.92 0.00 0.00 -1.26 -3.69 105.19 105.91 1u1j n GLY 637 Ca -0.02 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 1u1j n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1j s VAL 638 N -2.41 4.36 0.76 1.61 0.11 -1.00 -5.02 120.40 118.81 1u1j s VAL 638 Ca 0.47 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.36 1u1j s VAL 638 Cb 0.35 -3.67 0.19 0.00 -1.53 0.00 0.00 36.38 31.73 1u1j s VAL 638 CO 0.15 -0.62 0.58 0.00 -3.33 0.00 0.00 175.10 171.89 1u1j n GLN 639 N -2.30 -2.78 -0.02 1.54 1.13 -1.26 -4.84 117.38 108.85 1u1j n GLN 639 Ca 0.02 -0.94 0.07 0.00 -1.94 0.00 0.00 57.00 54.20 1u1j n GLN 639 Cb 0.56 -0.99 -0.16 0.00 0.11 0.00 0.00 30.24 29.76 1u1j n GLN 639 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1u1j n ASP 640 N -4.28 0.04 0.15 1.08 9.92 -1.26 -4.03 116.55 118.17 1u1j n ASP 640 Ca 0.08 0.02 0.10 0.00 -0.53 0.00 0.00 54.79 54.46 1u1j n ASP 640 Cb 0.34 1.72 0.06 0.00 -0.64 0.00 0.00 41.12 42.60 1u1j n ASP 640 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1u1j h SER 641 N 0.00 0.00 -3.03 -2.24 4.64 -1.85 -3.36 113.55 107.71 1u1j h SER 641 Ca -0.11 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.64 1u1j h SER 641 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1u1j h SER 641 CO 0.01 0.08 0.80 -0.89 -0.87 0.00 0.00 176.83 175.95 1u1j s THR 642 N -3.24 4.43 -0.31 2.95 2.01 -1.26 -4.49 115.64 115.73 1u1j s THR 642 Ca 0.03 1.73 -0.14 0.00 0.31 0.00 0.00 61.69 63.62 1u1j s THR 642 Cb 0.07 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1u1j s THR 642 CO 0.74 -0.10 0.29 -1.58 -0.69 0.00 0.00 174.62 173.28 1u1j s GLN 643 N 2.99 3.71 -0.08 4.92 0.74 0.11 -4.79 119.66 127.26 1u1j s GLN 643 Ca 0.51 -0.38 -0.16 0.00 0.05 0.00 0.00 55.36 55.39 1u1j s GLN 643 Cb -0.20 -3.75 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 1u1j s GLN 643 CO 0.14 -0.38 0.41 0.42 -0.55 0.00 0.00 175.29 175.33 1u1j s ILE 644 N 1.89 5.15 0.00 -2.34 1.09 -1.26 -1.26 121.20 124.47 1u1j s ILE 644 Ca 0.10 0.82 0.08 0.00 -1.10 0.00 0.00 60.65 60.55 1u1j s ILE 644 Cb -0.16 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.48 1u1j s ILE 644 CO 0.11 0.44 -0.26 -1.00 -0.10 0.00 0.00 174.94 174.13 1u1j s HIS 645 N -0.11 2.33 0.04 3.97 3.76 0.75 -2.07 115.29 123.96 1u1j s HIS 645 Ca 0.23 -0.43 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 1u1j s HIS 645 Cb -0.15 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 1u1j s HIS 645 CO 0.10 0.03 -0.18 -0.08 -0.85 0.00 0.00 174.74 173.76 1u1j s THR 646 N -0.69 1.41 0.41 1.30 -1.32 -0.46 0.14 115.64 116.44 1u1j s THR 646 Ca 0.11 -1.12 0.03 0.00 -1.21 0.00 0.00 61.69 59.50 1u1j s THR 646 Cb -0.10 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1u1j s THR 646 CO 0.00 0.10 0.07 -2.28 -2.21 0.00 0.00 174.62 170.30 1u1j s HIS 647 N -0.84 1.92 -0.48 9.09 2.46 -1.11 -0.36 115.29 125.97 1u1j s HIS 647 Ca 0.05 -1.07 0.07 0.00 0.47 0.00 0.00 55.06 54.58 1u1j s HIS 647 Cb -0.08 -1.36 0.24 0.00 -0.13 0.00 0.00 32.58 31.25 1u1j s HIS 647 CO 0.02 -0.03 0.57 0.00 -2.47 0.00 0.00 174.74 172.82 1u1j s TYR 650 N -1.44 0.28 0.00 0.00 2.02 -1.26 -4.97 117.35 111.98 1u1j s TYR 650 Ca 0.36 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1u1j s TYR 650 Cb 0.14 0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.75 1u1j s TYR 650 CO -0.09 -0.76 0.00 -1.13 -1.57 0.00 0.00 175.55 172.00 1u1j n SER 651 N -0.24 0.01 -4.23 2.29 3.41 -1.26 -0.96 113.62 112.63 1u1j n SER 651 Ca -0.08 -0.13 -0.35 0.00 -0.26 0.00 0.00 58.87 58.05 1u1j n SER 651 Cb 0.63 0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.53 1u1j n SER 651 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1u1j s HIS 652 N -0.09 3.12 0.00 7.33 3.76 -1.26 -4.84 115.29 123.31 1u1j s HIS 652 Ca 0.00 -1.45 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 1u1j s HIS 652 Cb 0.00 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1u1j s HIS 652 CO 0.00 -0.70 0.41 1.19 -0.85 0.00 0.00 174.74 174.79 1u1j n PHE 653 N 4.71 0.00 0.19 1.40 3.01 -1.26 -4.78 117.46 120.73 1u1j n PHE 653 Ca -0.15 -0.06 0.16 0.00 1.01 0.00 0.00 57.45 58.41 1u1j n PHE 653 Cb 0.47 -0.01 0.63 0.00 -0.01 0.00 0.00 39.48 40.56 1u1j n PHE 653 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1u1j h ASN 654 N 0.00 0.00 -0.28 4.37 4.21 -1.95 0.30 115.58 122.23 1u1j h ASN 654 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1u1j h ASN 654 Cb 0.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1u1j h ASN 654 CO 0.00 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.24 1u1j n ASP 655 N -3.13 3.86 0.00 5.81 5.75 -1.26 -4.59 116.55 122.99 1u1j n ASP 655 Ca 0.04 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 1u1j n ASP 655 Cb 0.69 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1u1j n ASP 655 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u1j n ILE 656 N -0.52 0.00 -0.23 2.12 3.06 0.75 -4.99 119.36 119.54 1u1j n ILE 656 Ca 0.23 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.51 1u1j n ILE 656 Cb 0.92 0.00 0.16 0.00 0.54 0.00 0.00 39.64 41.25 1u1j n ILE 656 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 1u1j h ILE 657 N 1.47 0.59 -0.04 9.51 -0.00 -0.97 -1.09 117.51 126.99 1u1j h ILE 657 Ca 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 64.86 64.77 1u1j h ILE 657 Cb 0.61 0.26 -0.00 0.00 -0.00 0.00 0.00 36.82 37.69 1u1j h ILE 657 CO 0.00 0.06 0.04 -0.74 -0.00 0.00 0.00 178.15 177.50 1u1j h HIS 658 N 0.30 0.00 0.05 2.19 2.76 -1.94 0.38 115.15 118.89 1u1j h HIS 658 Ca 0.38 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.32 1u1j h HIS 658 Cb 0.60 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 1u1j h HIS 658 CO -0.24 0.00 -1.03 0.77 -1.30 0.00 0.00 177.93 176.14 1u1j h SER 659 N 0.00 0.38 -0.27 3.26 0.02 -1.60 -0.37 113.55 114.96 1u1j h SER 659 Ca 0.02 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1u1j h SER 659 Cb 0.09 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1u1j h SER 659 CO -0.00 1.19 -0.18 0.40 -1.14 0.00 0.00 176.83 177.10 1u1j h ILE 660 N 0.13 1.26 -0.10 3.27 5.03 -0.78 -2.81 117.51 123.50 1u1j h ILE 660 Ca -0.08 -1.25 -0.18 0.00 -0.12 0.00 0.00 64.86 63.23 1u1j h ILE 660 Cb 1.70 1.16 -0.00 0.00 -3.03 0.00 0.00 36.82 36.65 1u1j h ILE 660 CO 0.17 0.42 -0.70 0.40 -0.68 0.00 0.00 178.15 177.76 1u1j h ILE 661 N 0.65 1.36 0.00 -0.67 2.04 -1.15 -3.35 117.51 116.40 1u1j h ILE 661 Ca 0.10 -2.06 -0.25 0.00 1.00 0.00 0.00 64.86 63.65 1u1j h ILE 661 Cb 0.66 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1u1j h ILE 661 CO 0.05 0.62 1.11 0.47 0.00 0.00 0.00 178.15 180.41 1u1j n ASP 662 N -3.87 4.32 0.00 1.72 9.92 -0.16 -4.72 116.55 123.76 1u1j n ASP 662 Ca -0.04 -2.23 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1u1j n ASP 662 Cb 0.69 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 1u1j n ASP 662 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1u1j n ASP 664 N 3.25 0.00 -4.77 -2.24 2.03 -1.26 -4.90 116.55 108.66 1u1j n ASP 664 Ca 0.37 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.35 1u1j n ASP 664 Cb 0.41 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.74 1u1j n ASP 664 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u1j s ALA 665 N 0.00 3.54 0.20 -1.67 0.00 -1.26 -4.98 121.76 117.58 1u1j s ALA 665 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1u1j s ALA 665 Cb 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 23.12 21.66 1u1j s ALA 665 CO 0.00 0.67 1.71 -0.44 0.00 0.00 0.00 175.76 177.70 1u1j h ASP 666 N 4.26 1.07 -3.72 0.00 3.32 -1.82 -3.42 116.42 116.11 1u1j h ASP 666 Ca -0.50 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 56.17 1u1j h ASP 666 Cb 1.18 -0.28 -0.26 0.00 0.22 0.00 0.00 39.33 40.19 1u1j h ASP 666 CO 0.61 1.03 -0.36 -0.69 -1.72 0.00 0.00 179.24 178.11 1u1j s VAL 667 N -5.29 -0.01 0.06 -1.35 1.01 -0.88 0.77 120.40 114.72 1u1j s VAL 667 Ca -0.12 0.03 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1u1j s VAL 667 Cb 0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1u1j s VAL 667 CO 0.85 0.01 -0.18 0.27 0.00 0.00 0.00 175.10 176.04 1u1j s ILE 668 N 0.43 1.48 -0.12 2.22 -4.36 -0.78 -1.35 121.20 118.73 1u1j s ILE 668 Ca -0.02 -1.27 -0.01 0.00 -0.26 0.00 0.00 60.65 59.09 1u1j s ILE 668 Cb -0.04 -1.33 0.03 0.00 1.25 0.00 0.00 42.46 42.36 1u1j s ILE 668 CO -0.02 0.02 -0.06 0.42 0.24 0.00 0.00 174.94 175.54 1u1j s THR 669 N -0.98 0.96 0.00 8.37 -4.23 0.52 -1.42 115.64 118.85 1u1j s THR 669 Ca 0.05 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1u1j s THR 669 Cb -0.09 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1u1j s THR 669 CO 0.02 0.32 0.00 2.30 -0.54 0.00 0.00 174.62 176.72 1u1j n ILE 670 N 4.96 0.00 0.00 2.99 -5.35 -1.25 -4.24 119.36 116.47 1u1j n ILE 670 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1u1j n ILE 670 Cb 0.50 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1u1j n ILE 670 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1u1j n GLU 671 N 0.00 0.00 0.00 6.28 1.02 -0.13 -3.78 120.64 124.02 1u1j n GLU 671 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u1j n GLU 671 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1u1j n GLU 671 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1u1j n ASN 672 N 0.00 0.00 0.00 1.62 2.85 -1.26 0.23 115.26 118.70 1u1j n ASN 672 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1u1j n ASN 672 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1u1j n ASN 672 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1u1j n SER 673 N 7.15 0.00 -1.33 1.20 2.88 -0.28 -3.48 113.62 119.75 1u1j n SER 673 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1u1j n SER 673 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1u1j n SER 673 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1u1j n ARG 674 N 0.97 0.32 -4.21 -1.46 1.85 -1.26 -4.71 116.66 108.14 1u1j n ARG 674 Ca 0.00 -0.70 -0.13 0.00 -1.00 0.00 0.00 57.85 56.02 1u1j n ARG 674 Cb 0.00 0.42 -0.10 0.00 -1.05 0.00 0.00 32.46 31.73 1u1j n ARG 674 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1u1j s SER 675 N -0.68 0.36 0.32 2.89 0.01 -1.23 -5.13 113.70 110.23 1u1j s SER 675 Ca 0.02 -1.43 -0.29 0.00 1.31 0.00 0.00 55.95 55.57 1u1j s SER 675 Cb 0.10 0.39 -0.10 0.00 0.21 0.00 0.00 66.02 66.63 1u1j s SER 675 CO -0.03 -0.86 1.21 -1.81 0.41 0.00 0.00 173.24 172.16 1u1j s ASP 676 N -3.19 6.96 0.00 2.44 -0.00 -1.26 -4.85 116.67 116.77 1u1j s ASP 676 Ca 0.39 2.48 0.26 0.00 -0.00 0.00 0.00 52.55 55.68 1u1j s ASP 676 Cb 0.07 -2.64 1.50 0.00 -0.00 0.00 0.00 42.92 41.85 1u1j s ASP 676 CO 0.14 -0.38 1.98 -1.84 -0.00 0.00 0.00 175.17 175.06 1u1j n GLU 677 N 0.89 1.09 0.12 8.23 0.00 -1.26 -2.82 120.64 126.89 1u1j n GLU 677 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 57.16 56.79 1u1j n GLU 677 Cb 0.43 -1.42 -0.14 0.00 0.00 0.00 0.00 31.44 30.31 1u1j n GLU 677 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1u1j h LYS 678 N 0.30 0.60 0.00 3.44 1.57 -1.88 -3.17 116.57 117.43 1u1j h LYS 678 Ca 0.00 -0.88 0.00 0.00 -1.87 0.00 0.00 60.65 57.90 1u1j h LYS 678 Cb 0.06 0.31 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1u1j h LYS 678 CO 0.00 1.41 0.08 -0.07 -0.57 0.00 0.00 179.45 180.30 1u1j h LEU 679 N 0.23 0.00 0.00 2.94 3.38 -1.92 -0.27 115.31 119.67 1u1j h LEU 679 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1u1j h LEU 679 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1u1j h LEU 679 CO 0.26 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.97 1u1j n LEU 680 N -2.25 0.00 -0.23 1.67 4.77 -1.20 -2.71 117.00 117.06 1u1j n LEU 680 Ca -0.01 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1u1j n LEU 680 Cb 0.11 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1u1j n LEU 680 CO 0.09 -0.10 0.46 -0.24 -1.33 0.00 0.00 177.39 176.27 1u1j n SER 681 N -1.26 0.57 -0.42 -1.43 2.88 -0.11 -2.00 113.62 111.85 1u1j n SER 681 Ca 0.09 -2.02 0.13 0.00 -1.33 0.00 0.00 58.87 55.74 1u1j n SER 681 Cb 0.14 -0.16 0.32 0.00 -0.75 0.00 0.00 64.21 63.76 1u1j n SER 681 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1u1j n VAL 682 N -0.24 0.00 -0.31 2.46 0.24 -1.10 -3.26 118.33 116.13 1u1j n VAL 682 Ca 0.02 -0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.21 1u1j n VAL 682 Cb 0.12 0.69 0.29 0.00 -1.47 0.00 0.00 33.84 33.47 1u1j n VAL 682 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1u1j n PHE 683 N -0.14 0.88 0.00 6.34 3.72 -0.85 -4.76 117.46 122.65 1u1j n PHE 683 Ca 0.13 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1u1j n PHE 683 Cb 0.40 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1u1j n PHE 683 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1u1j n ARG 684 N 1.49 0.00 -1.59 -1.08 1.74 -1.21 -2.78 116.66 113.23 1u1j n ARG 684 Ca 0.22 0.00 -0.56 0.00 -0.77 0.00 0.00 57.85 56.74 1u1j n ARG 684 Cb 0.60 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.96 1u1j n ARG 684 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1u1j n GLU 685 N -0.96 0.68 -1.21 5.56 0.00 -1.20 0.18 120.64 123.69 1u1j n GLU 685 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 57.16 57.30 1u1j n GLU 685 Cb 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 31.44 29.56 1u1j n GLU 685 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u1j n GLY 686 N 2.48 0.99 1.58 8.31 0.00 -1.26 -4.60 105.19 112.69 1u1j n GLY 686 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1u1j n GLY 686 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u1j n VAL 687 N -1.78 0.14 -3.63 1.61 0.31 0.56 -5.07 118.33 110.47 1u1j n VAL 687 Ca -0.10 0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 63.98 1u1j n VAL 687 Cb 0.43 -0.93 0.05 0.00 -0.91 0.00 0.00 33.84 32.48 1u1j n VAL 687 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1u1j n LYS 688 N -2.92 -1.44 0.13 5.55 4.81 0.13 -4.91 118.16 119.51 1u1j n LYS 688 Ca 0.00 0.51 -0.11 0.00 -0.87 0.00 0.00 58.31 57.84 1u1j n LYS 688 Cb 0.16 -4.35 -0.06 0.00 0.02 0.00 0.00 35.03 30.79 1u1j n LYS 688 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1u1j h TYR 689 N -1.80 -0.94 -5.64 5.64 3.20 -1.78 -3.48 116.97 112.18 1u1j h TYR 689 Ca -0.66 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.23 1u1j h TYR 689 Cb 1.35 0.38 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1u1j h TYR 689 CO 0.34 -0.40 -1.00 0.41 -1.64 0.00 0.00 178.16 175.86 1u1j n GLY 690 N -1.33 -2.58 0.00 1.82 0.00 -1.26 -5.04 105.19 96.80 1u1j n GLY 690 Ca -0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1u1j n GLY 690 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1j n ALA 691 N 0.93 0.00 -0.90 4.61 0.00 -1.26 -4.65 120.51 119.24 1u1j n ALA 691 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1u1j n ALA 691 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1u1j n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u1j n GLY 692 N -0.60 -0.72 3.58 0.00 0.00 0.23 -4.84 105.19 102.83 1u1j n GLY 692 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1u1j n GLY 692 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u1j s ILE 693 N -0.37 0.00 -0.29 -0.61 2.07 -1.12 -1.86 121.20 119.02 1u1j s ILE 693 Ca 0.47 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.69 1u1j s ILE 693 Cb -0.67 -1.00 0.19 0.00 0.13 0.00 0.00 42.46 41.11 1u1j s ILE 693 CO 0.35 0.00 0.78 -0.83 -1.91 0.00 0.00 174.94 173.33 1u1j s GLY 694 N -0.78 -1.07 0.61 1.50 0.00 -0.51 -1.15 107.32 105.92 1u1j s GLY 694 Ca -0.03 1.60 -0.14 0.00 0.00 0.00 0.00 44.72 46.14 1u1j s GLY 694 CO 0.03 3.82 1.04 -4.14 0.00 0.00 0.00 173.10 173.85 1u1j s PRO 695 N 2.88 3.38 0.30 2.90 0.02 -1.26 -3.91 135.00 139.31 1u1j s PRO 695 Ca 0.16 1.01 -0.29 0.00 0.02 0.00 0.00 61.00 61.90 1u1j s PRO 695 Cb -0.08 -2.05 -0.11 0.00 0.02 0.00 0.00 34.50 32.29 1u1j s PRO 695 CO -0.24 -0.75 1.49 0.20 -0.33 0.00 0.00 177.00 177.37 1u1j s GLY 696 N -3.36 2.43 -0.00 0.52 0.00 0.64 -4.49 107.32 103.06 1u1j s GLY 696 Ca 0.60 1.46 0.05 0.00 0.00 0.00 0.00 44.72 46.82 1u1j s GLY 696 CO 0.44 2.34 0.16 3.33 0.00 0.00 0.00 173.10 179.36 1u1j n VAL 697 N 1.76 0.00 -3.82 1.40 0.24 -1.07 -1.12 118.33 115.72 1u1j n VAL 697 Ca 0.05 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.79 1u1j n VAL 697 Cb 0.39 0.74 -0.16 0.00 -1.47 0.00 0.00 33.84 33.35 1u1j n VAL 697 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1u1j s TYR 698 N -1.81 1.90 -0.49 6.34 5.04 -1.26 -4.79 117.35 122.28 1u1j s TYR 698 Ca 0.00 -1.62 -0.27 0.00 -2.44 0.00 0.00 57.07 52.74 1u1j s TYR 698 Cb 0.03 -1.60 -0.02 0.00 0.35 0.00 0.00 41.96 40.72 1u1j s TYR 698 CO 0.19 -0.79 1.83 0.34 -1.34 0.00 0.00 175.55 175.79 1u1j s ASP 699 N 1.56 5.53 -0.01 4.32 2.15 -1.26 -1.29 116.67 127.67 1u1j s ASP 699 Ca 0.03 0.76 0.01 0.00 0.43 0.00 0.00 52.55 53.77 1u1j s ASP 699 Cb -0.18 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1u1j s ASP 699 CO -0.14 -2.09 0.76 2.30 -0.17 0.00 0.00 175.17 175.82 1u1j n ILE 700 N 7.31 0.08 0.72 4.11 -6.64 -1.26 -3.20 119.36 120.49 1u1j n ILE 700 Ca 0.22 -0.05 0.08 0.00 -1.77 0.00 0.00 62.75 61.23 1u1j n ILE 700 Cb 0.50 -0.27 0.05 0.00 -1.44 0.00 0.00 39.64 38.48 1u1j n ILE 700 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1u1j n HIS 701 N -0.16 0.00 -4.68 4.28 8.25 -1.26 -4.65 115.22 116.99 1u1j n HIS 701 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 1u1j n HIS 701 Cb 0.17 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.13 1u1j n HIS 701 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1u1j s SER 702 N -1.59 3.52 0.00 0.41 0.15 -1.19 -5.01 113.70 109.99 1u1j s SER 702 Ca 0.18 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1u1j s SER 702 Cb 0.14 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1u1j s SER 702 CO 0.27 0.10 0.42 -0.81 1.20 0.00 0.00 173.24 174.43 1u1j n PRO 703 N 3.92 0.49 -4.07 5.44 -0.04 -1.26 -4.80 135.00 134.68 1u1j n PRO 703 Ca -0.19 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.01 1u1j n PRO 703 Cb 0.52 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.86 1u1j n PRO 703 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1u1j s ARG 704 N -1.72 2.96 0.14 0.54 1.70 -1.26 -4.90 118.95 116.42 1u1j s ARG 704 Ca 0.00 -0.87 -0.17 0.00 -0.47 0.00 0.00 55.73 54.22 1u1j s ARG 704 Cb 0.00 -2.67 -0.07 0.00 -0.57 0.00 0.00 34.95 31.64 1u1j s ARG 704 CO 0.00 0.48 0.61 0.42 -1.08 0.00 0.00 175.30 175.72 1u1j s ILE 705 N -1.81 4.73 -0.83 4.99 -1.09 -1.26 -5.02 121.20 120.91 1u1j s ILE 705 Ca 0.32 1.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.83 1u1j s ILE 705 Cb -0.10 -3.83 0.24 0.00 -1.58 0.00 0.00 42.46 37.19 1u1j s ILE 705 CO 0.24 0.34 0.86 -0.81 -1.23 0.00 0.00 174.94 174.34 1u1j n PRO 706 N 1.09 2.82 0.00 2.79 -0.04 -1.26 -5.08 135.00 135.32 1u1j n PRO 706 Ca -0.06 -4.55 0.00 0.00 -0.04 0.00 0.00 63.50 58.85 1u1j n PRO 706 Cb 0.51 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1u1j n PRO 706 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1u1j n SER 707 N 1.67 0.00 0.12 3.54 3.41 -1.26 -4.28 113.62 116.82 1u1j n SER 707 Ca 0.25 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.90 1u1j n SER 707 Cb 0.37 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.56 1u1j n SER 707 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u1j n SER 708 N 0.00 0.23 0.10 4.04 2.88 -1.26 -0.54 113.62 119.07 1u1j n SER 708 Ca 0.00 0.46 -0.23 0.00 -1.33 0.00 0.00 58.87 57.77 1u1j n SER 708 Cb 0.00 -0.41 -0.15 0.00 -0.75 0.00 0.00 64.21 62.90 1u1j n SER 708 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1u1j h GLU 709 N 0.00 0.45 -0.45 -1.46 4.11 -1.91 -2.76 114.58 112.55 1u1j h GLU 709 Ca 0.00 -0.77 -0.04 0.00 0.07 0.00 0.00 59.36 58.62 1u1j h GLU 709 Cb 0.62 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1u1j h GLU 709 CO 0.00 1.36 0.13 0.93 0.07 0.00 0.00 179.01 181.50 1u1j h GLU 710 N 0.12 0.71 0.13 1.06 5.08 -1.04 -2.27 114.58 118.37 1u1j h GLU 710 Ca -0.30 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1u1j h GLU 710 Cb 2.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1u1j h GLU 710 CO 0.22 0.69 -0.06 0.82 -1.00 0.00 0.00 179.01 179.68 1u1j h ILE 711 N 0.60 1.03 0.00 3.13 2.04 -1.69 -1.69 117.51 120.93 1u1j h ILE 711 Ca 0.14 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1u1j h ILE 711 Cb 0.28 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1u1j h ILE 711 CO -0.00 0.18 0.17 0.00 0.00 0.00 0.00 178.15 178.49 1u1j h ALA 712 N 0.25 1.16 0.00 1.87 0.00 -1.49 -0.40 119.26 120.66 1u1j h ALA 712 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1u1j h ALA 712 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1u1j h ALA 712 CO 0.03 -0.16 -0.50 0.22 0.00 0.00 0.00 179.25 178.84 1u1j h ASP 713 N 0.00 0.00 -0.65 0.00 3.58 -1.14 -3.17 116.42 115.04 1u1j h ASP 713 Ca 0.00 -0.53 0.08 0.00 0.42 0.00 0.00 57.03 57.01 1u1j h ASP 713 Cb 0.33 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1u1j h ASP 713 CO 0.00 1.05 0.43 0.03 -2.88 0.00 0.00 179.24 177.87 1u1j h ARG 714 N -1.00 0.54 -0.37 0.28 3.08 -0.58 -1.08 114.38 115.24 1u1j h ARG 714 Ca -0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1u1j h ARG 714 Cb 0.87 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1u1j h ARG 714 CO -0.07 0.36 0.21 0.28 -1.07 0.00 0.00 179.97 179.68 1u1j h VAL 715 N 0.55 1.14 -0.57 2.04 2.07 -1.23 -2.66 116.25 117.60 1u1j h VAL 715 Ca 0.29 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1u1j h VAL 715 Cb 0.42 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1u1j h VAL 715 CO -0.09 0.14 -0.06 0.78 0.02 0.00 0.00 177.57 178.36 1u1j h ASN 716 N 0.48 1.04 0.00 0.57 2.35 -1.27 -1.76 115.58 116.99 1u1j h ASN 716 Ca 0.13 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1u1j h ASN 716 Cb 0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1u1j h ASN 716 CO -0.02 1.12 0.00 0.29 -1.65 0.00 0.00 177.43 177.17 1u1j n LYS 717 N -4.17 0.00 0.00 0.81 5.02 -0.51 -1.58 118.16 117.73 1u1j n LYS 717 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1u1j n LYS 717 Cb 0.38 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1u1j n LYS 717 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u1j n LEU 719 N 0.33 0.00 -0.01 -0.35 4.77 -0.66 -3.36 117.00 117.72 1u1j n LEU 719 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1u1j n LEU 719 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1u1j n LEU 719 CO 0.00 0.00 0.46 0.00 -1.33 0.00 0.00 177.39 176.52 1u1j h ALA 720 N 0.00 -0.08 -3.00 -1.18 0.00 -1.57 -3.40 119.26 110.03 1u1j h ALA 720 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1u1j h ALA 720 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1u1j h ALA 720 CO 0.00 -0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.33 1u1j n VAL 721 N -4.81 0.00 -1.65 0.00 0.31 -1.21 -4.86 118.33 106.10 1u1j n VAL 721 Ca -0.08 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.76 1u1j n VAL 721 Cb 0.31 -0.17 -0.05 0.00 -0.91 0.00 0.00 33.84 33.02 1u1j n VAL 721 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1u1j n LEU 722 N -0.12 2.63 -4.48 7.52 4.77 -1.26 -4.86 117.00 121.20 1u1j n LEU 722 Ca 0.00 1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 56.69 1u1j n LEU 722 Cb 0.00 -1.33 0.05 0.00 -2.33 0.00 0.00 43.42 39.81 1u1j n LEU 722 CO 0.00 -0.51 0.11 1.21 -1.33 0.00 0.00 177.39 176.87 1u1j n GLU 723 N 3.58 0.48 0.12 3.23 4.07 -1.26 -3.83 120.64 127.03 1u1j n GLU 723 Ca 0.19 0.20 0.04 0.00 -0.06 0.00 0.00 57.16 57.52 1u1j n GLU 723 Cb 0.25 -1.80 0.01 0.00 -0.06 0.00 0.00 31.44 29.84 1u1j n GLU 723 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1u1j h GLN 724 N 0.06 0.00 -0.30 5.31 4.15 -1.89 -3.34 115.11 119.09 1u1j h GLN 724 Ca -0.46 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.05 1u1j h GLN 724 Cb 1.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 1u1j h GLN 724 CO 0.46 0.33 0.37 -0.97 -1.93 0.00 0.00 178.83 177.09 1u1j h ASN 725 N 0.00 0.00 -0.27 -0.69 -0.73 -1.97 -3.09 115.58 108.83 1u1j h ASN 725 Ca -0.05 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.91 1u1j h ASN 725 Cb 1.35 0.00 -0.34 0.00 0.27 0.00 0.00 38.32 39.60 1u1j h ASN 725 CO 0.04 0.00 -0.91 2.30 -0.37 0.00 0.00 177.43 178.50 1u1j n ILE 726 N -3.61 0.80 -3.71 2.57 -6.64 -1.26 -4.95 119.36 102.55 1u1j n ILE 726 Ca 0.05 -2.16 -0.35 0.00 -1.77 0.00 0.00 62.75 58.51 1u1j n ILE 726 Cb 0.51 1.17 -0.08 0.00 -1.44 0.00 0.00 39.64 39.81 1u1j n ILE 726 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1u1j s LEU 727 N -3.20 4.22 0.27 7.28 2.96 -1.17 -2.78 118.68 126.27 1u1j s LEU 727 Ca 0.23 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 1u1j s LEU 727 Cb 0.34 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1u1j s LEU 727 CO -0.07 0.18 0.19 0.26 -1.32 0.00 0.00 176.35 175.58 1u1j s TRP 728 N 0.32 3.00 -0.28 5.38 0.52 -0.30 -3.62 118.94 123.95 1u1j s TRP 728 Ca 0.09 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.06 1u1j s TRP 728 Cb -0.11 -1.46 0.07 0.00 -1.15 0.00 0.00 33.47 30.82 1u1j s TRP 728 CO -0.01 0.46 -0.04 0.08 0.02 0.00 0.00 176.95 177.45 1u1j s VAL 729 N -2.21 1.99 0.21 4.03 1.01 0.50 -4.43 120.40 121.50 1u1j s VAL 729 Ca 0.34 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 1u1j s VAL 729 Cb -0.07 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1u1j s VAL 729 CO 0.25 -0.24 0.12 0.54 0.00 0.00 0.00 175.10 175.77 1u1j s ASN 730 N 1.14 0.35 0.00 3.32 4.22 -1.26 -2.33 114.94 120.38 1u1j s ASN 730 Ca -0.02 -1.39 0.00 0.00 -2.14 0.00 0.00 52.86 49.31 1u1j s ASN 730 Cb -0.19 0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.68 1u1j s ASN 730 CO -0.07 -0.82 0.00 -2.65 -2.04 0.00 0.00 177.10 171.52 1u1j n PRO 731 N -0.31 2.19 -0.02 3.55 -0.02 -1.26 -2.59 135.00 136.54 1u1j n PRO 731 Ca 0.02 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1u1j n PRO 731 Cb 0.66 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 34.06 1u1j n PRO 731 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1u1j n ASP 732 N 0.00 2.58 -0.24 2.55 2.03 -0.41 -3.52 116.55 119.55 1u1j n ASP 732 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1u1j n ASP 732 Cb 0.00 1.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 1u1j n ASP 732 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u1j s GLY 734 N -1.20 1.51 -0.22 0.00 0.00 -1.26 -4.31 107.32 101.84 1u1j s GLY 734 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 44.72 44.18 1u1j s GLY 734 CO 0.00 0.21 1.21 1.04 0.00 0.00 0.00 173.10 175.56 1u1j n LEU 735 N -5.04 3.07 -0.09 0.66 4.77 -0.70 -4.78 117.00 114.90 1u1j n LEU 735 Ca 0.09 -3.97 -0.13 0.00 -0.03 0.00 0.00 56.01 51.98 1u1j n LEU 735 Cb 0.58 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1u1j n LEU 735 CO 0.49 1.50 0.63 0.50 -1.33 0.00 0.00 177.39 179.18 1u1j h LYS 736 N 1.27 0.58 -0.00 3.23 3.64 -1.74 -1.01 116.57 122.55 1u1j h LYS 736 Ca 0.06 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1u1j h LYS 736 Cb 1.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1u1j h LYS 736 CO 0.17 0.86 -0.12 0.25 -2.27 0.00 0.00 179.45 178.34 1u1j n THR 737 N -4.40 0.00 -2.01 1.00 -2.24 -1.26 -4.18 114.28 101.18 1u1j n THR 737 Ca -0.04 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.45 1u1j n THR 737 Cb 0.39 -0.29 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1u1j n THR 737 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1u1j s ARG 738 N -2.87 2.13 -0.12 -0.78 6.06 -1.18 -5.08 118.95 117.11 1u1j s ARG 738 Ca 0.17 0.02 0.01 0.00 -2.50 0.00 0.00 55.73 53.43 1u1j s ARG 738 Cb 0.19 -2.03 -0.01 0.00 0.06 0.00 0.00 34.95 33.15 1u1j s ARG 738 CO 0.55 -1.42 -0.15 0.21 -2.50 0.00 0.00 175.30 171.99 1u1j s LYS 739 N -5.44 3.26 0.61 5.12 2.36 -1.26 -4.46 119.74 119.93 1u1j s LYS 739 Ca 0.61 -0.72 0.25 0.00 -2.55 0.00 0.00 55.97 53.56 1u1j s LYS 739 Cb -0.11 -2.56 0.91 0.00 -1.05 0.00 0.00 37.83 35.02 1u1j s LYS 739 CO 0.48 0.24 1.34 1.88 1.55 0.00 0.00 175.35 180.84 1u1j h TYR 740 N 6.60 0.00 0.00 4.03 0.05 -1.93 1.40 116.97 127.12 1u1j h TYR 740 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1u1j h TYR 740 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1u1j h TYR 740 CO 0.50 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.86 1u1j n THR 741 N -3.22 0.26 -0.09 -2.88 -2.24 -1.26 -1.86 114.28 102.99 1u1j n THR 741 Ca 0.20 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1u1j n THR 741 Cb 1.40 -0.54 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 1u1j n THR 741 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1j n GLU 742 N -1.82 1.07 0.10 -0.78 1.02 0.48 -4.50 120.64 116.21 1u1j n GLU 742 Ca 0.06 0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1u1j n GLU 742 Cb 0.38 -1.44 -0.14 0.00 -0.02 0.00 0.00 31.44 30.22 1u1j n GLU 742 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1u1j h VAL 743 N 0.00 1.45 -0.34 2.62 -1.51 -1.53 -3.26 116.25 113.68 1u1j h VAL 743 Ca -0.47 -3.02 0.04 0.00 -1.23 0.00 0.00 66.70 62.02 1u1j h VAL 743 Cb 1.99 2.93 -0.06 0.00 -2.13 0.00 0.00 31.29 34.02 1u1j h VAL 743 CO 0.00 0.88 -0.40 0.50 -1.23 0.00 0.00 177.57 177.32 1u1j h LYS 744 N 0.08 -0.25 -0.03 5.19 1.63 -1.60 -2.07 116.57 119.52 1u1j h LYS 744 Ca -0.15 0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.41 1u1j h LYS 744 Cb 1.99 0.06 0.02 0.00 -0.60 0.00 0.00 32.23 33.69 1u1j h LYS 744 CO 0.20 -0.17 -0.97 -1.00 -3.45 0.00 0.00 179.45 174.07 1u1j h PRO 745 N -0.26 0.71 -0.99 1.90 0.13 -1.81 -3.24 132.00 128.44 1u1j h PRO 745 Ca 0.06 -0.72 0.14 0.00 -0.87 0.00 0.00 66.00 64.60 1u1j h PRO 745 Cb 0.41 0.20 -0.09 0.00 0.13 0.00 0.00 31.00 31.65 1u1j h PRO 745 CO -0.45 1.30 0.62 0.00 -0.23 0.00 0.00 178.00 179.24 1u1j h ALA 746 N 0.42 1.60 0.00 -0.56 0.00 -1.58 -1.12 119.26 118.03 1u1j h ALA 746 Ca -0.11 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1u1j h ALA 746 Cb 1.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1u1j h ALA 746 CO 0.19 0.13 -0.86 -0.07 0.00 0.00 0.00 179.25 178.64 1u1j h LEU 747 N 0.90 0.19 0.27 0.00 3.38 -1.49 -3.25 115.31 115.32 1u1j h LEU 747 Ca 0.50 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1u1j h LEU 747 Cb 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1u1j h LEU 747 CO -0.27 0.95 -0.26 0.50 0.09 0.00 0.00 178.44 179.45 1u1j h LYS 748 N 0.08 -0.54 -1.43 1.13 3.64 -1.25 -2.39 116.57 115.81 1u1j h LYS 748 Ca -0.03 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u1j h LYS 748 Cb 1.48 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 1u1j h LYS 748 CO 0.13 -0.36 0.00 0.09 -2.27 0.00 0.00 179.45 177.04 1u1j n ASN 749 N -5.38 0.00 0.00 4.20 5.03 -0.84 -1.51 115.26 116.75 1u1j n ASN 749 Ca -0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.36 1u1j n ASN 749 Cb 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1u1j n ASN 749 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1u1j n VAL 751 N 0.74 0.00 0.21 2.41 0.31 -0.90 0.72 118.33 121.83 1u1j n VAL 751 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1u1j n VAL 751 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1u1j n VAL 751 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1u1j h ASP 752 N 0.00 -0.46 -0.05 4.52 3.32 -1.56 -1.01 116.42 121.19 1u1j h ASP 752 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1u1j h ASP 752 Cb 0.00 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1u1j h ASP 752 CO 0.00 -0.13 0.63 0.00 -1.72 0.00 0.00 179.24 178.02 1u1j h ALA 753 N -0.35 1.69 0.00 3.45 0.00 0.09 0.61 119.26 124.75 1u1j h ALA 753 Ca -0.06 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 1u1j h ALA 753 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1u1j h ALA 753 CO 0.09 -0.66 -1.42 0.00 0.00 0.00 0.00 179.25 177.26 1u1j n ALA 754 N -1.76 0.83 -0.30 0.00 0.00 -1.00 -3.20 120.51 115.09 1u1j n ALA 754 Ca -0.00 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.96 1u1j n ALA 754 Cb 0.68 -0.50 0.28 0.00 0.00 0.00 0.00 19.45 19.91 1u1j n ALA 754 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1u1j h LYS 755 N -0.96 0.89 0.02 0.00 1.57 0.82 0.38 116.57 119.29 1u1j h LYS 755 Ca -0.39 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1u1j h LYS 755 Cb 1.37 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1u1j h LYS 755 CO -0.22 0.59 -0.01 1.25 -0.57 0.00 0.00 179.45 180.48 1u1j h LEU 756 N 0.91 -0.03 -1.62 2.94 5.85 -0.11 -0.12 115.31 123.12 1u1j h LEU 756 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1u1j h LEU 756 Cb 0.41 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1u1j h LEU 756 CO -0.19 -0.02 0.07 0.40 -0.34 0.00 0.00 178.44 178.36 1u1j h ILE 757 N -0.03 0.00 -0.00 4.05 1.08 -1.46 0.30 117.51 121.45 1u1j h ILE 757 Ca -0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.27 1u1j h ILE 757 Cb 0.03 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1u1j h ILE 757 CO 0.00 0.00 -0.87 0.03 -0.69 0.00 0.00 178.15 176.62 1u1j h ARG 758 N 0.00 0.23 -0.38 2.37 3.08 0.47 -3.01 114.38 117.14 1u1j h ARG 758 Ca 0.00 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 59.86 1u1j h ARG 758 Cb 0.13 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1u1j h ARG 758 CO 0.00 0.96 0.26 0.66 -1.07 0.00 0.00 179.97 180.78 1u1j h SER 759 N 0.13 0.26 0.00 7.04 4.64 0.15 -3.50 113.55 122.27 1u1j h SER 759 Ca -0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1u1j h SER 759 Cb 1.49 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1u1j h SER 759 CO 0.14 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.27