#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u15 n ASP 18 N 0.00 3.54 -0.12 8.00 2.03 -1.26 -4.89 116.55 123.85 1u15 n ASP 18 Ca 0.00 1.16 -0.05 0.00 0.52 0.00 0.00 54.79 56.43 1u15 n ASP 18 Cb 0.00 -1.56 0.03 0.00 -0.72 0.00 0.00 41.12 38.88 1u15 n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1u15 h PRO 19 N 4.23 0.18 0.00 -0.67 0.11 -2.05 -2.03 132.00 131.77 1u15 h PRO 19 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1u15 h PRO 19 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u15 h PRO 19 CO 0.75 0.12 -0.04 0.82 -0.21 0.00 0.00 178.00 179.43 1u15 h ILE 20 N 0.18 0.17 0.00 4.15 5.03 -1.99 -2.05 117.51 123.00 1u15 h ILE 20 Ca 0.19 -0.41 -0.00 0.00 -0.12 0.00 0.00 64.86 64.52 1u15 h ILE 20 Cb 0.24 1.35 -0.00 0.00 -3.03 0.00 0.00 36.82 35.38 1u15 h ILE 20 CO -0.27 0.04 -0.01 -0.03 -0.68 0.00 0.00 178.15 177.21 1u15 h MET 21 N 0.00 0.00 0.00 2.37 4.05 -1.78 -2.99 114.93 116.58 1u15 h MET 21 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1u15 h MET 21 Cb 0.34 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1u15 h MET 21 CO 0.01 0.75 -0.00 1.05 0.23 0.00 0.00 176.91 178.95 1u15 h GLU 22 N -1.00 0.00 0.16 0.39 4.11 -1.23 -0.45 114.58 116.55 1u15 h GLU 22 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1u15 h GLU 22 Cb 0.75 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.03 1u15 h GLU 22 CO -0.00 0.00 -0.99 0.87 0.07 0.00 0.00 179.01 178.96 1u15 h LYS 23 N 0.00 0.39 0.00 1.06 1.79 -1.47 -2.25 116.57 116.09 1u15 h LYS 23 Ca -0.00 -0.63 -0.02 0.00 -2.18 0.00 0.00 60.65 57.82 1u15 h LYS 23 Cb 0.19 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1u15 h LYS 23 CO 0.00 1.29 -0.11 1.25 -1.08 0.00 0.00 179.45 180.80 1u15 h LEU 24 N -0.18 0.00 0.00 2.94 7.12 -1.16 -2.35 115.31 121.68 1u15 h LEU 24 Ca -0.17 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.84 1u15 h LEU 24 Cb 1.76 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 1u15 h LEU 24 CO 0.19 0.11 -0.97 -3.20 -0.13 0.00 0.00 178.44 174.43 1u15 n ASN 25 N -3.31 0.66 -4.71 1.25 2.85 -0.26 -4.96 115.26 106.78 1u15 n ASN 25 Ca -0.00 0.03 -0.38 0.00 -0.11 0.00 0.00 54.58 54.12 1u15 n ASN 25 Cb 0.32 0.61 0.05 0.00 1.24 0.00 0.00 39.78 42.00 1u15 n ASN 25 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1u15 n SER 26 N -2.20 2.10 0.00 1.20 2.88 -0.85 -4.93 113.62 111.82 1u15 n SER 26 Ca 0.01 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1u15 n SER 26 Cb 0.47 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1u15 n SER 26 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1u15 n SER 27 N -1.18 0.00 -0.28 -3.46 3.41 -0.97 -4.89 113.62 106.25 1u15 n SER 27 Ca 0.13 -0.64 0.11 0.00 -0.26 0.00 0.00 58.87 58.21 1u15 n SER 27 Cb 0.46 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.76 1u15 n SER 27 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1u15 h ILE 28 N 0.64 0.85 -0.17 -1.33 -0.00 -1.75 0.13 117.51 115.88 1u15 h ILE 28 Ca 0.00 -0.25 0.02 0.00 -0.00 0.00 0.00 64.86 64.63 1u15 h ILE 28 Cb 0.32 0.05 -0.05 0.00 -0.00 0.00 0.00 36.82 37.14 1u15 h ILE 28 CO 0.00 0.14 -0.34 0.00 -0.00 0.00 0.00 178.15 177.94 1u15 h ALA 29 N 1.59 -0.65 0.00 0.18 0.00 -1.90 -3.16 119.26 115.32 1u15 h ALA 29 Ca 0.45 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 55.05 1u15 h ALA 29 Cb 0.67 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1u15 h ALA 29 CO -0.21 -0.80 -1.73 2.48 0.00 0.00 0.00 179.25 178.99 1u15 n TYR 30 N -4.34 0.94 1.67 0.00 0.18 -1.10 -4.19 117.16 110.33 1u15 n TYR 30 Ca -0.03 0.34 0.02 0.00 1.88 0.00 0.00 57.90 60.11 1u15 n TYR 30 Cb 0.22 -1.17 0.10 0.00 -0.38 0.00 0.00 39.34 38.11 1u15 n TYR 30 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1u15 n ASP 31 N -3.02 0.00 0.30 9.48 3.85 0.01 -2.50 116.55 124.67 1u15 n ASP 31 Ca -0.17 -1.56 0.19 0.00 -0.71 0.00 0.00 54.79 52.53 1u15 n ASP 31 Cb 1.05 0.00 0.89 0.00 -1.35 0.00 0.00 41.12 41.71 1u15 n ASP 31 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1u15 h GLN 32 N 0.00 0.00 0.00 0.11 4.20 -1.71 -0.73 115.11 116.98 1u15 h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u15 h GLN 32 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1u15 h GLN 32 CO 0.00 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 1u15 h ARG 33 N 0.00 0.00 -0.02 1.46 2.47 -1.81 -0.86 114.38 115.62 1u15 h ARG 33 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1u15 h ARG 33 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1u15 h ARG 33 CO 0.00 0.00 -0.05 1.28 0.56 0.00 0.00 179.97 181.77 1u15 n LEU 34 N -2.80 2.32 -0.22 3.04 4.77 -0.28 -4.59 117.00 119.24 1u15 n LEU 34 Ca -0.02 -0.78 -0.08 0.00 -0.03 0.00 0.00 56.01 55.11 1u15 n LEU 34 Cb 0.11 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1u15 n LEU 34 CO 0.18 0.39 0.57 0.77 -1.33 0.00 0.00 177.39 177.98 1u15 h SER 35 N 3.57 -1.49 -0.18 -1.43 4.64 -1.27 0.29 113.55 117.68 1u15 h SER 35 Ca 0.00 0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1u15 h SER 35 Cb 0.79 0.69 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 1u15 h SER 35 CO 0.00 -0.33 0.06 -0.08 -0.87 0.00 0.00 176.83 175.61 1u15 h GLU 36 N -0.20 0.14 0.00 4.77 4.57 -1.82 -2.30 114.58 119.75 1u15 h GLU 36 Ca 0.19 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1u15 h GLU 36 Cb 0.56 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1u15 h GLU 36 CO -0.71 0.09 -0.30 -0.39 -1.18 0.00 0.00 179.01 176.52 1u15 h VAL 37 N 0.15 0.89 -0.46 0.32 -1.51 -1.65 -2.44 116.25 111.55 1u15 h VAL 37 Ca 0.08 -1.17 -0.04 0.00 -1.23 0.00 0.00 66.70 64.34 1u15 h VAL 37 Cb 0.05 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1u15 h VAL 37 CO -0.08 0.29 0.14 -0.78 -1.23 0.00 0.00 177.57 175.91 1u15 h ASP 38 N 0.00 0.68 0.17 4.19 -0.00 -0.04 -1.68 116.42 119.74 1u15 h ASP 38 Ca -0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.03 56.81 1u15 h ASP 38 Cb 0.68 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 1u15 h ASP 38 CO 0.04 0.71 -0.09 0.40 -0.00 0.00 0.00 179.24 180.30 1u15 h ILE 39 N 0.61 0.82 -0.98 2.25 1.08 -1.07 -1.60 117.51 118.61 1u15 h ILE 39 Ca 0.15 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.73 1u15 h ILE 39 Cb 0.28 0.82 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 1u15 h ILE 39 CO -0.00 0.00 0.62 1.56 -0.69 0.00 0.00 178.15 179.64 1u15 h GLN 40 N -0.24 0.95 -0.38 2.37 1.08 -1.33 0.18 115.11 117.74 1u15 h GLN 40 Ca -0.02 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 1u15 h GLN 40 Cb 0.19 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1u15 h GLN 40 CO 0.03 0.63 -0.13 0.00 -0.95 0.00 0.00 178.83 178.41 1u15 h ALA 41 N 1.54 1.07 -0.03 3.87 0.00 -1.01 -2.14 119.26 122.55 1u15 h ALA 41 Ca 0.48 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1u15 h ALA 41 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1u15 h ALA 41 CO -0.24 0.57 -0.84 0.77 0.00 0.00 0.00 179.25 179.51 1u15 h SER 42 N 0.61 0.46 -0.16 0.00 0.02 -0.04 -2.48 113.55 111.96 1u15 h SER 42 Ca 0.10 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1u15 h SER 42 Cb 0.58 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1u15 h SER 42 CO 0.04 1.11 0.10 0.40 -1.14 0.00 0.00 176.83 177.34 1u15 h ILE 43 N 0.22 1.06 -0.44 3.27 2.04 -0.50 0.13 117.51 123.29 1u15 h ILE 43 Ca -0.05 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1u15 h ILE 43 Cb 1.45 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1u15 h ILE 43 CO 0.14 0.06 0.19 0.00 0.00 0.00 0.00 178.15 178.54 1u15 h ALA 44 N 1.03 0.58 -0.59 1.87 0.00 -1.43 -1.76 119.26 118.95 1u15 h ALA 44 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1u15 h ALA 44 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1u15 h ALA 44 CO -0.01 0.17 0.21 -0.92 0.00 0.00 0.00 179.25 178.70 1u15 h TYR 45 N 0.57 0.89 -0.27 0.00 3.20 -1.12 -1.36 116.97 118.89 1u15 h TYR 45 Ca 0.15 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1u15 h TYR 45 Cb 0.17 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1u15 h TYR 45 CO -0.00 0.71 0.10 0.00 -1.64 0.00 0.00 178.16 177.32 1u15 h ALA 46 N 1.37 0.35 -0.56 1.82 0.00 -0.43 0.31 119.26 122.12 1u15 h ALA 46 Ca 0.20 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1u15 h ALA 46 Cb 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1u15 h ALA 46 CO -0.01 -0.04 0.30 0.87 0.00 0.00 0.00 179.25 180.37 1u15 h LYS 47 N 0.28 0.56 0.00 0.00 1.57 -0.90 -0.73 116.57 117.35 1u15 h LYS 47 Ca 0.09 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1u15 h LYS 47 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1u15 h LYS 47 CO -0.01 0.37 -0.43 0.00 -0.57 0.00 0.00 179.45 178.82 1u15 h ALA 48 N 1.29 1.19 -0.46 3.86 0.00 -1.02 -2.59 119.26 121.53 1u15 h ALA 48 Ca 0.24 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1u15 h ALA 48 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1u15 h ALA 48 CO -0.15 0.53 -0.05 -0.07 0.00 0.00 0.00 179.25 179.51 1u15 h LEU 49 N 0.00 0.76 -0.48 0.00 3.38 0.44 -1.37 115.31 118.04 1u15 h LEU 49 Ca -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1u15 h LEU 49 Cb 0.81 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1u15 h LEU 49 CO 0.06 0.86 0.12 -0.08 0.09 0.00 0.00 178.44 179.48 1u15 h GLU 50 N 0.72 0.77 -0.88 1.13 4.22 -0.85 -0.87 114.58 118.82 1u15 h GLU 50 Ca 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1u15 h GLU 50 Cb 0.52 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1u15 h GLU 50 CO 0.03 0.75 0.46 -0.22 -2.18 0.00 0.00 179.01 177.85 1u15 h LYS 51 N 0.66 1.25 0.00 1.92 3.64 -1.12 -1.52 116.57 121.39 1u15 h LYS 51 Ca 0.15 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1u15 h LYS 51 Cb 0.33 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1u15 h LYS 51 CO 0.00 0.93 0.00 0.00 -2.27 0.00 0.00 179.45 178.11 1u15 h ALA 52 N 1.25 1.00 0.00 5.00 0.00 -0.93 -3.46 119.26 122.12 1u15 h ALA 52 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1u15 h ALA 52 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u15 h ALA 52 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1u15 n GLY 53 N -0.20 0.85 0.10 0.00 0.00 -0.57 -4.96 105.19 100.41 1u15 n GLY 53 Ca 0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1u15 n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u15 h ILE 54 N 0.00 1.48 -3.40 -0.61 1.08 -1.37 -3.46 117.51 111.23 1u15 h ILE 54 Ca 0.00 -3.07 -0.66 0.00 -0.39 0.00 0.00 64.86 60.74 1u15 h ILE 54 Cb 0.00 2.92 -0.17 0.00 -3.07 0.00 0.00 36.82 36.49 1u15 h ILE 54 CO 0.00 0.89 -0.78 -0.76 -0.69 0.00 0.00 178.15 176.81 1u15 s LEU 55 N -7.08 2.71 0.54 1.44 1.43 -1.19 -4.98 118.68 111.55 1u15 s LEU 55 Ca -0.04 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1u15 s LEU 55 Cb 0.07 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1u15 s LEU 55 CO 0.88 0.14 0.75 0.42 0.23 0.00 0.00 176.35 178.77 1u15 s THR 56 N -1.42 2.77 0.37 5.49 -4.23 -1.26 -4.45 115.64 112.90 1u15 s THR 56 Ca 0.20 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1u15 s THR 56 Cb -0.09 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 71.01 1u15 s THR 56 CO 0.11 -0.02 1.95 0.11 -0.54 0.00 0.00 174.62 176.24 1u15 h LYS 57 N 0.13 0.71 0.10 3.99 1.79 -2.00 -2.00 116.57 119.28 1u15 h LYS 57 Ca -0.42 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1u15 h LYS 57 Cb 1.29 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1u15 h LYS 57 CO 0.52 0.47 -0.05 1.15 -1.08 0.00 0.00 179.45 180.46 1u15 h THR 58 N 0.73 1.12 -0.61 -0.16 2.02 -2.00 -3.00 112.91 111.01 1u15 h THR 58 Ca 0.32 -1.02 0.09 0.00 0.77 0.00 0.00 66.41 66.57 1u15 h THR 58 Cb 0.31 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 1u15 h THR 58 CO -0.11 0.24 0.23 -0.33 0.37 0.00 0.00 175.52 175.92 1u15 h GLU 59 N -0.63 0.40 -0.67 6.66 5.08 -1.87 -1.79 114.58 121.76 1u15 h GLU 59 Ca -0.01 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1u15 h GLU 59 Cb 0.50 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1u15 h GLU 59 CO 0.02 0.26 0.32 1.25 -1.00 0.00 0.00 179.01 179.86 1u15 h LEU 60 N 0.41 0.40 -1.01 1.33 5.85 -1.41 0.16 115.31 121.03 1u15 h LEU 60 Ca 0.30 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 1u15 h LEU 60 Cb 0.37 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1u15 h LEU 60 CO -0.30 0.24 0.32 -0.33 -0.34 0.00 0.00 178.44 178.03 1u15 h GLU 61 N 0.55 1.02 -0.43 1.25 5.08 -1.20 -0.16 114.58 120.70 1u15 h GLU 61 Ca 0.32 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1u15 h GLU 61 Cb 0.34 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1u15 h GLU 61 CO -0.26 0.81 -0.16 0.87 -1.00 0.00 0.00 179.01 179.27 1u15 h LYS 62 N 1.01 0.81 -0.13 2.33 1.57 -0.49 -2.82 116.57 118.86 1u15 h LYS 62 Ca 0.24 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1u15 h LYS 62 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1u15 h LYS 62 CO -0.03 0.92 -0.61 0.82 -0.57 0.00 0.00 179.45 179.98 1u15 h ILE 63 N 0.72 1.35 -0.02 1.86 2.04 -0.30 -2.47 117.51 120.69 1u15 h ILE 63 Ca 0.11 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1u15 h ILE 63 Cb 0.66 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1u15 h ILE 63 CO 0.05 0.59 -0.01 -0.07 0.00 0.00 0.00 178.15 178.70 1u15 h LEU 64 N 0.34 0.05 -0.40 1.44 3.38 -0.99 0.11 115.31 119.24 1u15 h LEU 64 Ca -0.01 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.59 1u15 h LEU 64 Cb 1.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1u15 h LEU 64 CO 0.11 0.45 0.14 -1.28 0.09 0.00 0.00 178.44 177.96 1u15 h SER 65 N -0.36 0.16 0.16 -0.43 0.87 -1.57 0.34 113.55 112.72 1u15 h SER 65 Ca 0.01 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1u15 h SER 65 Cb 0.44 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1u15 h SER 65 CO 0.00 0.13 -0.38 1.23 -0.53 0.00 0.00 176.83 177.28 1u15 h GLY 66 N 0.31 -0.78 0.64 5.77 0.00 -1.34 0.20 103.07 107.87 1u15 h GLY 66 Ca 0.18 0.46 0.08 0.00 0.00 0.00 0.00 47.33 48.04 1u15 h GLY 66 CO -0.18 -0.27 0.51 1.41 0.00 0.00 0.00 176.54 178.01 1u15 h LEU 67 N -0.64 0.78 -0.89 3.11 3.38 -0.24 -1.38 115.31 119.44 1u15 h LEU 67 Ca 0.02 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1u15 h LEU 67 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1u15 h LEU 67 CO -0.20 0.48 -0.04 -0.08 0.09 0.00 0.00 178.44 178.68 1u15 h GLU 68 N 0.90 0.78 -0.56 1.13 4.57 0.07 -0.48 114.58 121.00 1u15 h GLU 68 Ca 0.39 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1u15 h GLU 68 Cb 0.26 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1u15 h GLU 68 CO -0.20 0.81 0.23 0.87 -1.18 0.00 0.00 179.01 179.53 1u15 h LYS 69 N 0.72 0.83 -0.53 1.92 1.57 -0.11 -0.80 116.57 120.15 1u15 h LYS 69 Ca 0.13 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1u15 h LYS 69 Cb 0.50 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1u15 h LYS 69 CO 0.03 0.71 0.29 0.82 -0.57 0.00 0.00 179.45 180.73 1u15 h ILE 70 N 0.76 1.17 -0.70 1.86 2.04 -0.80 -1.03 117.51 120.80 1u15 h ILE 70 Ca 0.19 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1u15 h ILE 70 Cb 0.19 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1u15 h ILE 70 CO -0.02 0.18 0.33 -1.28 0.00 0.00 0.00 178.15 177.37 1u15 h SER 71 N 0.74 0.92 -0.42 1.72 0.87 0.04 -2.77 113.55 114.65 1u15 h SER 71 Ca 0.19 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1u15 h SER 71 Cb 0.03 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1u15 h SER 71 CO -0.03 0.79 0.02 -0.33 -0.53 0.00 0.00 176.83 176.76 1u15 h GLU 72 N 0.97 0.72 -0.29 2.24 4.39 -0.15 -1.91 114.58 120.55 1u15 h GLU 72 Ca 0.24 -0.22 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1u15 h GLU 72 Cb 0.12 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 1u15 h GLU 72 CO -0.03 0.78 -0.11 0.93 -1.16 0.00 0.00 179.01 179.43 1u15 h GLU 73 N 0.56 -0.05 0.37 2.33 5.08 -1.03 0.63 114.58 122.48 1u15 h GLU 73 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1u15 h GLU 73 Cb 0.45 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1u15 h GLU 73 CO 0.02 -0.03 -0.18 -1.49 -1.00 0.00 0.00 179.01 176.32 1u15 h TRP 74 N -0.05 -0.47 -1.01 4.33 4.06 -1.41 0.76 115.95 122.16 1u15 h TRP 74 Ca 0.15 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.25 1u15 h TRP 74 Cb 0.27 0.15 -0.10 0.00 -1.00 0.00 0.00 29.16 28.49 1u15 h TRP 74 CO -0.31 -0.26 0.62 0.66 -3.56 0.00 0.00 178.44 175.60 1u15 h SER 75 N -0.56 0.84 0.33 -3.49 4.64 -0.91 0.71 113.55 115.12 1u15 h SER 75 Ca -0.05 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u15 h SER 75 Cb 0.42 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1u15 h SER 75 CO 0.08 0.36 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 1u15 n LYS 76 N -4.71 0.66 -3.31 4.77 5.02 0.18 -4.90 118.16 115.88 1u15 n LYS 76 Ca 0.22 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.35 1u15 n LYS 76 Cb 0.49 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1u15 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u15 n GLY 77 N 1.15 -0.29 0.00 0.72 0.00 0.25 -4.90 105.19 102.11 1u15 n GLY 77 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1u15 n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u15 n VAL 78 N -3.91 0.00 -1.88 1.61 0.31 0.17 -5.03 118.33 109.60 1u15 n VAL 78 Ca -0.23 -0.22 -0.39 0.00 -0.01 0.00 0.00 64.34 63.49 1u15 n VAL 78 Cb 0.64 1.56 0.02 0.00 -0.91 0.00 0.00 33.84 35.15 1u15 n VAL 78 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1u15 s PHE 79 N -0.00 2.50 -0.36 3.52 5.36 -1.05 -4.93 117.98 123.01 1u15 s PHE 79 Ca 0.00 1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 57.24 1u15 s PHE 79 Cb 0.00 -3.79 0.05 0.00 -0.34 0.00 0.00 43.02 38.94 1u15 s PHE 79 CO 0.00 -2.64 0.16 0.08 -1.46 0.00 0.00 175.22 171.35 1u15 s VAL 80 N -1.28 3.98 0.10 3.12 1.01 -1.26 -4.99 120.40 121.09 1u15 s VAL 80 Ca 0.64 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 1u15 s VAL 80 Cb -0.40 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1u15 s VAL 80 CO 0.50 -0.27 0.75 -0.69 0.00 0.00 0.00 175.10 175.39 1u15 s VAL 81 N 1.42 4.56 0.30 2.92 1.01 -1.26 -5.07 120.40 124.28 1u15 s VAL 81 Ca 0.00 1.62 0.10 0.00 0.00 0.00 0.00 61.98 63.70 1u15 s VAL 81 Cb -0.20 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1u15 s VAL 81 CO 0.03 0.46 -0.07 -0.54 0.00 0.00 0.00 175.10 174.98 1u15 s LYS 82 N -0.67 2.00 0.29 2.72 1.02 -1.26 -5.03 119.74 118.80 1u15 s LYS 82 Ca 0.36 -1.67 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1u15 s LYS 82 Cb -0.22 -1.93 0.69 0.00 -0.52 0.00 0.00 37.83 35.85 1u15 s LYS 82 CO 0.24 0.27 1.65 1.96 -0.92 0.00 0.00 175.35 178.55 1u15 h GLN 83 N 2.00 0.21 0.00 1.68 4.20 -2.05 -0.30 115.11 120.85 1u15 h GLN 83 Ca -0.42 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 1u15 h GLN 83 Cb 1.25 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 1u15 h GLN 83 CO 0.63 0.14 -0.11 0.66 -0.67 0.00 0.00 178.83 179.47 1u15 h SER 84 N 0.21 0.00 -0.44 1.46 4.64 -2.03 -3.42 113.55 113.97 1u15 h SER 84 Ca 0.54 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.77 1u15 h SER 84 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1u15 h SER 84 CO -0.65 0.11 0.40 0.47 -0.87 0.00 0.00 176.83 176.30 1u15 n ASP 85 N -4.38 1.54 -0.08 4.97 8.00 -0.12 -4.79 116.55 121.69 1u15 n ASP 85 Ca -0.03 -1.28 -0.10 0.00 0.71 0.00 0.00 54.79 54.10 1u15 n ASP 85 Cb 0.19 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.72 1u15 n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1u15 h GLU 86 N 13.31 0.37 0.00 -1.24 3.07 -1.87 -3.42 114.58 124.80 1u15 h GLU 86 Ca -0.02 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.55 1u15 h GLU 86 Cb 1.05 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 1u15 h GLU 86 CO 1.08 0.30 -0.24 -0.40 -1.40 0.00 0.00 179.01 178.35 1u15 n ASP 87 N -4.86 -0.35 0.17 1.42 5.75 -1.26 -2.28 116.55 115.14 1u15 n ASP 87 Ca -0.02 -2.15 0.03 0.00 -0.01 0.00 0.00 54.79 52.64 1u15 n ASP 87 Cb 0.06 0.87 0.29 0.00 -1.03 0.00 0.00 41.12 41.31 1u15 n ASP 87 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1u15 h ILE 88 N 1.56 1.13 -0.03 2.12 6.09 -1.86 -2.11 117.51 124.41 1u15 h ILE 88 Ca -0.12 -1.67 -0.01 0.00 -1.37 0.00 0.00 64.86 61.69 1u15 h ILE 88 Cb 0.63 1.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.87 1u15 h ILE 88 CO 0.18 0.45 -0.02 0.45 -3.07 0.00 0.00 178.15 176.14 1u15 h HIS 89 N 0.00 0.07 -0.52 2.19 3.86 -1.96 -0.92 115.15 117.87 1u15 h HIS 89 Ca -0.00 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1u15 h HIS 89 Cb 0.91 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1u15 h HIS 89 CO 0.00 0.49 0.08 1.15 0.86 0.00 0.00 177.93 180.51 1u15 h THR 90 N -0.37 1.25 0.07 2.45 2.02 -1.97 -0.82 112.91 115.54 1u15 h THR 90 Ca 0.01 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1u15 h THR 90 Cb 0.47 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1u15 h THR 90 CO 0.01 0.34 -0.45 0.00 0.37 0.00 0.00 175.52 175.79 1u15 h ALA 91 N 0.98 -0.92 -0.22 6.16 0.00 -1.34 0.26 119.26 124.18 1u15 h ALA 91 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1u15 h ALA 91 Cb 0.40 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1u15 h ALA 91 CO 0.01 -1.03 0.19 -0.91 0.00 0.00 0.00 179.25 177.50 1u15 h ASN 92 N -0.62 0.00 0.28 0.00 2.35 -0.96 -1.32 115.58 115.32 1u15 h ASN 92 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 1u15 h ASN 92 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1u15 h ASN 92 CO -0.26 0.00 -0.94 -0.33 -1.65 0.00 0.00 177.43 174.25 1u15 h GLU 93 N 0.00 0.45 -0.03 0.81 5.08 0.52 -2.85 114.58 118.56 1u15 h GLU 93 Ca 0.11 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1u15 h GLU 93 Cb 0.48 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1u15 h GLU 93 CO -0.00 1.13 0.01 -0.09 -1.00 0.00 0.00 179.01 179.06 1u15 h ARG 94 N 0.26 0.05 -0.26 2.33 2.43 0.50 -2.76 114.38 116.92 1u15 h ARG 94 Ca -0.08 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1u15 h ARG 94 Cb 1.57 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.07 1u15 h ARG 94 CO 0.17 0.24 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.71 1u15 h ARG 95 N -0.15 0.00 -0.97 0.20 9.65 -1.38 -1.25 114.38 120.48 1u15 h ARG 95 Ca 0.01 -0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.02 1u15 h ARG 95 Cb 0.21 -0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.71 1u15 h ARG 95 CO -0.00 0.00 0.60 1.25 2.80 0.00 0.00 179.97 184.62 1u15 h LEU 96 N 0.00 0.85 -0.11 3.80 5.85 -1.47 0.41 115.31 124.65 1u15 h LEU 96 Ca 0.12 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1u15 h LEU 96 Cb 0.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1u15 h LEU 96 CO -0.27 0.44 -0.00 0.50 -0.34 0.00 0.00 178.44 178.77 1u15 h LYS 97 N 0.92 0.19 -0.91 1.25 3.64 -1.05 0.60 116.57 121.22 1u15 h LYS 97 Ca 0.49 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.93 1u15 h LYS 97 Cb 0.52 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1u15 h LYS 97 CO -0.28 0.45 0.58 0.93 -2.27 0.00 0.00 179.45 178.86 1u15 h GLU 98 N -0.08 0.80 0.02 1.90 5.08 -0.29 0.12 114.58 122.12 1u15 h GLU 98 Ca 0.03 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 1u15 h GLU 98 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1u15 h GLU 98 CO 0.01 0.53 -1.13 -0.07 -1.00 0.00 0.00 179.01 177.35 1u15 h LEU 99 N 0.82 0.06 -0.25 1.33 3.38 -0.65 -3.41 115.31 116.60 1u15 h LEU 99 Ca 0.44 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1u15 h LEU 99 Cb 0.55 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1u15 h LEU 99 CO -0.20 1.06 0.00 2.30 0.09 0.00 0.00 178.44 181.68 1u15 n ILE 100 N -3.34 0.00 0.00 1.22 -5.35 0.18 -5.02 119.36 107.04 1u15 n ILE 100 Ca -0.03 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1u15 n ILE 100 Cb 0.97 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 40.13 1u15 n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u15 n GLY 101 N 0.23 0.21 0.00 3.28 0.00 0.38 -4.43 105.19 104.87 1u15 n GLY 101 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1u15 n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u15 n ASP 102 N -0.17 0.00 0.23 1.61 8.00 -1.26 -0.91 116.55 124.05 1u15 n ASP 102 Ca 0.00 0.36 0.08 0.00 0.71 0.00 0.00 54.79 55.94 1u15 n ASP 102 Cb 0.00 -0.36 0.57 0.00 -0.02 0.00 0.00 41.12 41.31 1u15 n ASP 102 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1u15 h ILE 103 N 0.00 0.96 0.00 0.53 6.09 -1.94 -1.19 117.51 121.95 1u15 h ILE 103 Ca 0.00 -0.63 -0.01 0.00 -1.37 0.00 0.00 64.86 62.84 1u15 h ILE 103 Cb 0.25 1.36 -0.00 0.00 0.47 0.00 0.00 36.82 38.90 1u15 h ILE 103 CO 0.00 0.17 -0.06 0.00 -3.07 0.00 0.00 178.15 175.19 1u15 h ALA 104 N 1.83 1.26 0.00 0.18 0.00 -1.31 -2.38 119.26 118.83 1u15 h ALA 104 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1u15 h ALA 104 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1u15 h ALA 104 CO 0.02 0.08 -0.19 0.78 0.00 0.00 0.00 179.25 179.94 1u15 h GLY 105 N 0.63 0.00 2.00 0.00 0.00 -1.42 -2.31 103.07 101.96 1u15 h GLY 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u15 h GLY 105 CO 0.01 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.05 1u15 h LYS 106 N 0.00 0.00 -0.35 4.80 1.57 -1.58 -2.86 116.57 118.14 1u15 h LYS 106 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1u15 h LYS 106 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1u15 h LYS 106 CO 0.02 0.00 0.08 1.25 -0.57 0.00 0.00 179.45 180.23 1u15 h LEU 107 N 0.00 0.47 -0.91 2.94 5.85 -1.59 -2.67 115.31 119.39 1u15 h LEU 107 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1u15 h LEU 107 Cb 0.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1u15 h LEU 107 CO 0.00 0.48 0.00 1.57 -0.34 0.00 0.00 178.44 180.15 1u15 n HIS 108 N -4.34 0.32 -1.81 1.25 -0.00 -1.08 -4.78 115.22 104.78 1u15 n HIS 108 Ca 0.02 -0.14 -0.42 0.00 0.46 0.00 0.00 57.72 57.64 1u15 n HIS 108 Cb 0.19 -0.05 -0.03 0.00 -0.12 0.00 0.00 29.99 29.98 1u15 n HIS 108 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1u15 s THR 109 N -1.68 2.87 0.00 3.57 2.01 -1.01 -2.05 115.64 119.35 1u15 s THR 109 Ca 0.13 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1u15 s THR 109 Cb 0.08 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1u15 s THR 109 CO 0.08 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1u15 n GLY 110 N 4.19 1.69 3.89 4.40 0.00 -1.26 -4.98 105.19 113.13 1u15 n GLY 110 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1u15 n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u15 s ARG 111 N 0.00 2.82 -0.06 1.61 3.52 -0.87 -4.68 118.95 121.29 1u15 s ARG 111 Ca 0.00 0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.88 1u15 s ARG 111 Cb 0.00 -2.08 0.02 0.00 -1.56 0.00 0.00 34.95 31.33 1u15 s ARG 111 CO 0.00 -0.99 0.15 0.45 -0.81 0.00 0.00 175.30 174.10 1u15 s SER 112 N -4.36 -0.14 0.35 -2.12 0.15 -1.26 -4.87 113.70 101.45 1u15 s SER 112 Ca 0.57 0.30 0.09 0.00 0.70 0.00 0.00 55.95 57.61 1u15 s SER 112 Cb -0.11 0.27 0.82 0.00 -1.71 0.00 0.00 66.02 65.30 1u15 s SER 112 CO 0.50 -0.08 1.86 -0.09 1.20 0.00 0.00 173.24 176.64 1u15 h ARG 113 N 6.26 0.66 -0.83 5.44 2.43 -1.99 -1.98 114.38 124.37 1u15 h ARG 113 Ca -0.30 -0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.04 1u15 h ARG 113 Cb 1.19 -0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.45 1u15 h ARG 113 CO 0.42 0.44 0.20 -0.91 -1.51 0.00 0.00 179.97 178.61 1u15 h ASN 114 N 0.68 -0.03 1.51 -3.80 -0.26 -1.91 -0.13 115.58 111.65 1u15 h ASN 114 Ca 0.46 0.18 -0.05 0.00 -0.56 0.00 0.00 56.30 56.33 1u15 h ASN 114 Cb 0.75 0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 38.26 1u15 h ASN 114 CO -0.21 -0.12 -0.51 1.05 -1.06 0.00 0.00 177.43 176.57 1u15 h GLU 115 N 0.22 0.00 -0.06 0.81 4.11 -1.47 -3.32 114.58 114.87 1u15 h GLU 115 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.92 1u15 h GLU 115 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1u15 h GLU 115 CO -0.62 0.18 -0.03 1.96 0.07 0.00 0.00 179.01 180.58 1u15 h GLN 116 N 0.00 0.13 -0.24 1.06 4.20 -0.87 -1.60 115.11 117.79 1u15 h GLN 116 Ca -0.02 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1u15 h GLN 116 Cb 1.18 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.91 1u15 h GLN 116 CO 0.02 0.49 -0.37 0.28 -0.67 0.00 0.00 178.83 178.59 1u15 h VAL 117 N -0.24 0.00 -0.60 -0.54 2.07 -1.37 0.29 116.25 115.85 1u15 h VAL 117 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1u15 h VAL 117 Cb 0.45 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1u15 h VAL 117 CO 0.01 0.00 0.32 -0.37 0.02 0.00 0.00 177.57 177.55 1u15 h VAL 118 N -0.28 1.19 0.48 2.57 -1.51 -1.66 -1.24 116.25 115.78 1u15 h VAL 118 Ca 0.04 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 1u15 h VAL 118 Cb 0.40 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1u15 h VAL 118 CO -0.37 0.21 -0.23 0.74 -1.23 0.00 0.00 177.57 176.68 1u15 h THR 119 N 0.83 0.51 0.27 7.19 2.02 -0.38 -1.60 112.91 121.76 1u15 h THR 119 Ca 0.21 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1u15 h THR 119 Cb 0.04 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1u15 h THR 119 CO -0.03 0.04 -0.28 0.44 0.37 0.00 0.00 175.52 176.06 1u15 h ASP 120 N -0.78 -0.75 -0.87 4.18 3.32 -0.31 -0.27 116.42 120.95 1u15 h ASP 120 Ca -0.07 0.07 0.15 0.00 0.02 0.00 0.00 57.03 57.21 1u15 h ASP 120 Cb 0.55 0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 1u15 h ASP 120 CO 0.11 -0.40 0.56 0.25 -1.72 0.00 0.00 179.24 178.04 1u15 h LEU 121 N -0.58 0.57 -0.20 1.55 5.85 -1.25 0.31 115.31 121.55 1u15 h LEU 121 Ca -0.01 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 1u15 h LEU 121 Cb 0.54 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1u15 h LEU 121 CO -0.06 0.28 -0.42 0.11 -0.34 0.00 0.00 178.44 178.01 1u15 h LYS 122 N 0.60 0.63 -0.36 1.25 1.57 -0.81 -0.46 116.57 118.99 1u15 h LYS 122 Ca 0.44 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1u15 h LYS 122 Cb 0.82 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1u15 h LYS 122 CO -0.19 1.03 0.20 -0.07 -0.57 0.00 0.00 179.45 179.85 1u15 h LEU 123 N 0.31 0.30 -1.51 2.94 3.38 0.40 0.78 115.31 121.92 1u15 h LEU 123 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1u15 h LEU 123 Cb 1.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1u15 h LEU 123 CO 0.09 0.22 0.15 0.15 0.09 0.00 0.00 178.44 179.15 1u15 h PHE 124 N 0.40 0.47 -0.05 1.13 3.57 -0.36 -2.27 116.94 119.84 1u15 h PHE 124 Ca 0.15 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.40 1u15 h PHE 124 Cb 0.04 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.64 1u15 h PHE 124 CO -0.09 0.36 -0.93 0.52 -2.23 0.00 0.00 178.31 175.95 1u15 h MET 125 N 0.48 0.65 0.39 1.11 2.86 -0.16 -1.21 114.93 119.05 1u15 h MET 125 Ca 0.12 -0.64 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 1u15 h MET 125 Cb 0.08 0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1u15 h MET 125 CO -0.01 1.24 -0.20 -0.22 1.06 0.00 0.00 176.91 178.77 1u15 h LYS 126 N 0.40 -0.53 -0.42 1.72 3.64 -0.47 0.40 116.57 121.30 1u15 h LYS 126 Ca -0.09 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1u15 h LYS 126 Cb 1.57 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.46 1u15 h LYS 126 CO 0.18 -0.35 0.12 -0.91 -2.27 0.00 0.00 179.45 176.22 1u15 h ASN 127 N -0.55 0.09 -0.11 4.20 -0.26 -1.47 -2.03 115.58 115.45 1u15 h ASN 127 Ca -0.05 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1u15 h ASN 127 Cb 0.43 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1u15 h ASN 127 CO 0.08 0.08 0.04 0.28 -1.06 0.00 0.00 177.43 176.85 1u15 h SER 128 N 0.27 0.06 -0.10 5.81 0.02 -0.82 -2.16 113.55 116.62 1u15 h SER 128 Ca 0.20 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1u15 h SER 128 Cb 0.22 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1u15 h SER 128 CO -0.23 0.05 0.09 -0.07 -1.14 0.00 0.00 176.83 175.53 1u15 h LEU 129 N 0.10 0.00 -0.35 5.07 3.38 0.31 -0.82 115.31 123.01 1u15 h LEU 129 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1u15 h LEU 129 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1u15 h LEU 129 CO -0.04 0.00 0.08 -1.28 0.09 0.00 0.00 178.44 177.29 1u15 h SER 130 N 0.00 0.53 0.00 -0.43 0.87 -0.71 -0.86 113.55 112.95 1u15 h SER 130 Ca 0.05 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1u15 h SER 130 Cb 0.24 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1u15 h SER 130 CO -0.00 0.62 -0.00 0.40 -0.53 0.00 0.00 176.83 177.32 1u15 h ILE 131 N 0.41 1.39 -0.79 2.23 2.04 -1.15 -2.73 117.51 118.90 1u15 h ILE 131 Ca 0.11 -1.14 0.16 0.00 1.00 0.00 0.00 64.86 64.99 1u15 h ILE 131 Cb 0.30 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 1u15 h ILE 131 CO 0.00 0.30 0.53 0.40 0.00 0.00 0.00 178.15 179.38 1u15 h ILE 132 N -0.49 0.77 0.40 -0.67 2.04 -1.17 -1.14 117.51 117.25 1u15 h ILE 132 Ca -0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1u15 h ILE 132 Cb 0.49 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1u15 h ILE 132 CO 0.00 0.07 -0.19 -1.28 0.00 0.00 0.00 178.15 176.75 1u15 h SER 133 N 0.41 -0.45 -0.27 1.72 0.87 -1.02 0.09 113.55 114.90 1u15 h SER 133 Ca 0.39 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1u15 h SER 133 Cb 0.93 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.95 1u15 h SER 133 CO -0.13 -0.25 -0.41 0.74 -0.53 0.00 0.00 176.83 176.25 1u15 h THR 134 N -0.63 0.00 -0.88 2.23 2.02 -0.92 0.17 112.91 114.90 1u15 h THR 134 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1u15 h THR 134 Cb 0.46 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1u15 h THR 134 CO 0.09 0.00 0.58 0.45 0.37 0.00 0.00 175.52 177.01 1u15 h HIS 135 N -0.31 1.07 -0.45 3.16 -0.00 -1.39 -0.97 115.15 116.25 1u15 h HIS 135 Ca 0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1u15 h HIS 135 Cb 0.45 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1u15 h HIS 135 CO -0.67 0.62 0.23 1.25 -0.00 0.00 0.00 177.93 179.36 1u15 h LEU 136 N 1.11 0.58 -0.69 2.43 6.46 -0.08 -1.48 115.31 123.63 1u15 h LEU 136 Ca 0.35 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1u15 h LEU 136 Cb 0.01 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1u15 h LEU 136 CO -0.10 0.53 0.13 -0.07 -0.62 0.00 0.00 178.44 178.31 1u15 h LEU 137 N 0.58 1.08 -1.39 2.25 -0.00 -0.18 -2.35 115.31 115.31 1u15 h LEU 137 Ca 0.16 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1u15 h LEU 137 Cb 0.09 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.45 1u15 h LEU 137 CO -0.02 1.06 0.17 -0.61 -0.00 0.00 0.00 178.44 179.04 1u15 h GLN 138 N 1.06 0.59 0.24 1.13 5.75 -0.85 0.34 115.11 123.37 1u15 h GLN 138 Ca 0.21 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1u15 h GLN 138 Cb 0.42 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1u15 h GLN 138 CO 0.01 0.48 -0.11 1.25 -2.65 0.00 0.00 178.83 177.81 1u15 h LEU 139 N 0.59 -0.27 -0.16 -2.39 6.46 -0.95 0.95 115.31 119.55 1u15 h LEU 139 Ca 0.15 -0.19 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1u15 h LEU 139 Cb 0.11 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1u15 h LEU 139 CO -0.02 0.05 -0.15 0.40 -0.62 0.00 0.00 178.44 178.10 1u15 h ILE 140 N -0.61 0.58 -0.45 4.05 2.04 -0.95 -0.78 117.51 121.39 1u15 h ILE 140 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1u15 h ILE 140 Cb 0.44 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 1u15 h ILE 140 CO 0.05 0.00 -0.02 0.50 0.00 0.00 0.00 178.15 178.68 1u15 h LYS 141 N -0.18 0.08 -0.61 2.37 3.64 -0.28 -0.74 116.57 120.86 1u15 h LYS 141 Ca 0.10 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1u15 h LYS 141 Cb 0.33 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1u15 h LYS 141 CO -0.26 0.06 0.26 1.15 -2.27 0.00 0.00 179.45 178.38 1u15 h THR 142 N 0.09 0.82 -0.64 1.00 2.02 0.29 -1.12 112.91 115.37 1u15 h THR 142 Ca 0.22 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 1u15 h THR 142 Cb 0.33 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1u15 h THR 142 CO -0.39 0.08 0.06 -0.07 0.37 0.00 0.00 175.52 175.58 1u15 h LEU 143 N 0.46 1.06 -0.33 2.58 3.38 -0.09 -2.58 115.31 119.80 1u15 h LEU 143 Ca 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1u15 h LEU 143 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1u15 h LEU 143 CO -0.27 1.07 -0.05 0.58 0.09 0.00 0.00 178.44 179.86 1u15 h VAL 144 N 1.00 1.27 -0.03 1.22 2.07 -0.73 -1.82 116.25 119.23 1u15 h VAL 144 Ca 0.19 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1u15 h VAL 144 Cb 0.49 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1u15 h VAL 144 CO 0.02 0.35 -0.04 -0.33 0.02 0.00 0.00 177.57 177.59 1u15 h GLU 145 N 0.40 -0.05 -0.77 1.57 5.08 -1.19 -0.45 114.58 119.17 1u15 h GLU 145 Ca 0.09 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1u15 h GLU 145 Cb 0.52 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1u15 h GLU 145 CO 0.03 -0.04 0.50 -0.09 -1.00 0.00 0.00 179.01 178.41 1u15 h ARG 146 N -0.05 0.81 -0.19 2.33 2.43 -1.40 0.42 114.38 118.72 1u15 h ARG 146 Ca 0.03 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1u15 h ARG 146 Cb 0.09 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1u15 h ARG 146 CO -0.06 0.53 -0.25 0.00 -1.51 0.00 0.00 179.97 178.68 1u15 h ALA 147 N 1.58 1.22 -0.05 2.80 0.00 -0.48 -1.13 119.26 123.20 1u15 h ALA 147 Ca 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u15 h ALA 147 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u15 h ALA 147 CO -0.11 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 1u15 h ALA 148 N 1.43 0.07 -0.33 0.00 0.00 0.66 -2.84 119.26 118.26 1u15 h ALA 148 Ca 0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1u15 h ALA 148 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1u15 h ALA 148 CO 0.04 -0.19 -0.20 0.82 0.00 0.00 0.00 179.25 179.72 1u15 h ILE 149 N -0.28 1.26 -0.61 0.00 1.08 -1.10 -3.20 117.51 114.67 1u15 h ILE 149 Ca 0.01 -1.23 -0.18 0.00 -0.39 0.00 0.00 64.86 63.07 1u15 h ILE 149 Cb 0.45 1.23 -0.11 0.00 -3.07 0.00 0.00 36.82 35.32 1u15 h ILE 149 CO 0.01 0.40 0.18 -0.62 -0.69 0.00 0.00 178.15 177.43 1u15 n GLU 150 N -4.14 3.31 0.32 2.37 1.02 -0.44 -4.68 120.64 118.40 1u15 n GLU 150 Ca 0.00 -3.06 0.15 0.00 -0.02 0.00 0.00 57.16 54.22 1u15 n GLU 150 Cb 0.39 -2.10 0.78 0.00 -0.02 0.00 0.00 31.44 30.49 1u15 n GLU 150 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1u15 h ILE 151 N 2.27 0.00 0.04 -3.67 2.10 -1.49 -1.87 117.51 114.89 1u15 h ILE 151 Ca 0.22 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.88 1u15 h ILE 151 Cb 2.10 0.63 -0.03 0.00 -1.09 0.00 0.00 36.82 38.43 1u15 h ILE 151 CO 0.61 0.00 -1.46 0.44 -1.08 0.00 0.00 178.15 176.65 1u15 h ASP 152 N 0.00 0.13 -2.41 2.19 3.45 -1.89 -3.46 116.42 114.42 1u15 h ASP 152 Ca 0.00 -0.19 -0.58 0.00 0.43 0.00 0.00 57.03 56.69 1u15 h ASP 152 Cb 0.64 -0.04 0.07 0.00 -0.56 0.00 0.00 39.33 39.44 1u15 h ASP 152 CO 0.00 1.16 0.74 0.52 -1.57 0.00 0.00 179.24 180.09 1u15 n VAL 153 N -3.27 0.31 -4.40 -1.35 0.31 -0.70 -4.90 118.33 104.33 1u15 n VAL 153 Ca -0.12 -0.08 -0.25 0.00 -0.01 0.00 0.00 64.34 63.88 1u15 n VAL 153 Cb 1.02 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 32.30 1u15 n VAL 153 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1u15 s ILE 154 N 0.58 1.73 0.30 2.52 1.01 -1.26 -0.43 121.20 125.66 1u15 s ILE 154 Ca 0.75 -1.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.76 1u15 s ILE 154 Cb -0.67 -1.55 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1u15 s ILE 154 CO 0.42 0.03 0.78 -1.48 0.00 0.00 0.00 174.94 174.69 1u15 s LEU 155 N -1.69 -0.15 0.41 2.97 2.34 -0.80 -3.98 118.68 117.78 1u15 s LEU 155 Ca 0.07 -0.79 -0.26 0.00 0.06 0.00 0.00 54.13 53.21 1u15 s LEU 155 Cb -0.10 2.69 -0.09 0.00 -0.56 0.00 0.00 46.19 48.13 1u15 s LEU 155 CO 0.04 -1.41 1.37 -2.84 -1.06 0.00 0.00 176.35 172.44 1u15 s PRO 156 N -3.20 3.94 -0.14 1.48 0.02 -1.26 -2.19 135.00 133.64 1u15 s PRO 156 Ca 0.13 2.30 -0.08 0.00 0.02 0.00 0.00 61.00 63.38 1u15 s PRO 156 Cb -0.05 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 1u15 s PRO 156 CO 0.08 -0.57 0.13 0.20 -0.33 0.00 0.00 177.00 176.52 1u15 s GLY 157 N -0.56 2.12 0.15 0.52 0.00 -0.35 -4.81 107.32 104.40 1u15 s GLY 157 Ca 0.57 -0.66 0.09 0.00 0.00 0.00 0.00 44.72 44.72 1u15 s GLY 157 CO 0.54 -0.24 -0.11 -0.19 0.00 0.00 0.00 173.10 173.09 1u15 s TYR 158 N -0.64 2.63 -0.09 1.90 1.51 -1.26 -0.71 117.35 120.68 1u15 s TYR 158 Ca 0.13 -0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1u15 s TYR 158 Cb -0.12 -1.32 0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1u15 s TYR 158 CO 0.02 0.47 0.21 0.95 -1.11 0.00 0.00 175.55 176.10 1u15 s THR 159 N -1.51 -0.05 -1.99 -0.71 -4.23 -0.69 -4.77 115.64 101.70 1u15 s THR 159 Ca 0.23 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1u15 s THR 159 Cb -0.10 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1u15 s THR 159 CO 0.14 0.07 0.00 1.41 -0.54 0.00 0.00 174.62 175.69 1u15 n HIS 160 N 4.25 -0.41 -1.88 3.99 8.25 -1.26 -0.26 115.22 127.90 1u15 n HIS 160 Ca -0.25 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.00 1u15 n HIS 160 Cb 0.52 -3.62 -0.06 0.00 1.12 0.00 0.00 29.99 27.96 1u15 n HIS 160 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1u15 n LEU 161 N -2.57 -1.65 -4.55 2.41 7.94 -1.26 -4.98 117.00 112.34 1u15 n LEU 161 Ca -0.22 0.31 -0.31 0.00 -1.11 0.00 0.00 56.01 54.69 1u15 n LEU 161 Cb 0.67 -2.84 -0.11 0.00 0.53 0.00 0.00 43.42 41.68 1u15 n LEU 161 CO 0.30 -0.76 -0.43 -1.10 -1.11 0.00 0.00 177.39 174.29 1u15 s GLN 162 N -4.19 2.26 0.04 1.96 -1.52 0.64 -5.05 119.66 113.79 1u15 s GLN 162 Ca 0.00 -0.90 -0.30 0.00 -1.95 0.00 0.00 55.36 52.20 1u15 s GLN 162 Cb 0.00 -2.34 -0.08 0.00 -0.22 0.00 0.00 33.01 30.37 1u15 s GLN 162 CO 0.00 0.55 1.78 0.15 -0.25 0.00 0.00 175.29 177.52 1u15 s LYS 163 N -1.69 4.17 -0.09 2.91 1.02 -1.26 -1.71 119.74 123.08 1u15 s LYS 163 Ca 0.18 2.43 -0.12 0.00 0.02 0.00 0.00 55.97 58.48 1u15 s LYS 163 Cb -0.11 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 1u15 s LYS 163 CO 0.09 -0.85 -0.23 0.00 -0.92 0.00 0.00 175.35 173.44 1u15 n ALA 164 N 6.63 1.51 -3.49 5.17 0.00 0.12 -4.93 120.51 125.51 1u15 n ALA 164 Ca 0.18 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1u15 n ALA 164 Cb 0.41 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1u15 n ALA 164 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1u15 s GLN 165 N -2.57 1.09 0.62 0.00 -2.07 -1.23 -4.92 119.66 110.58 1u15 s GLN 165 Ca -0.19 -0.03 -0.19 0.00 -1.82 0.00 0.00 55.36 53.13 1u15 s GLN 165 Cb 0.03 0.51 -0.02 0.00 -1.09 0.00 0.00 33.01 32.43 1u15 s GLN 165 CO 0.29 -0.40 1.25 -2.14 -1.32 0.00 0.00 175.29 172.97 1u15 s PRO 166 N -2.18 2.78 0.14 9.60 0.02 -1.26 -1.21 135.00 142.89 1u15 s PRO 166 Ca -0.05 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 62.79 1u15 s PRO 166 Cb -0.00 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.63 1u15 s PRO 166 CO 0.00 -1.39 0.35 0.96 -0.33 0.00 0.00 177.00 176.59 1u15 s ILE 167 N -1.48 0.08 0.06 2.83 -4.36 -0.93 -4.76 121.20 112.63 1u15 s ILE 167 Ca 0.80 -0.97 -0.26 0.00 -0.26 0.00 0.00 60.65 59.96 1u15 s ILE 167 Cb -0.34 -1.47 -0.06 0.00 1.25 0.00 0.00 42.46 41.85 1u15 s ILE 167 CO 0.37 -0.35 0.79 -0.13 0.24 0.00 0.00 174.94 175.86 1u15 s ARG 168 N -3.87 4.53 0.61 0.37 0.52 -1.26 -1.90 118.95 117.94 1u15 s ARG 168 Ca 0.08 1.12 0.26 0.00 -0.52 0.00 0.00 55.73 56.68 1u15 s ARG 168 Cb 0.02 -3.36 1.28 0.00 0.52 0.00 0.00 34.95 33.41 1u15 s ARG 168 CO -0.07 0.29 1.70 2.35 0.02 0.00 0.00 175.30 179.60 1u15 h TRP 169 N 5.57 0.00 -0.03 -0.53 2.91 -1.03 0.40 115.95 123.24 1u15 h TRP 169 Ca -0.44 0.00 -0.24 0.00 1.13 0.00 0.00 58.89 59.34 1u15 h TRP 169 Cb 1.21 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.87 1u15 h TRP 169 CO 0.65 0.00 -0.95 0.77 -1.03 0.00 0.00 178.44 177.88 1u15 h SER 170 N 0.00 0.77 -0.81 2.65 0.02 -1.79 -2.68 113.55 111.70 1u15 h SER 170 Ca 0.22 -0.59 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1u15 h SER 170 Cb 1.53 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1u15 h SER 170 CO -0.00 1.39 0.54 -0.61 -1.14 0.00 0.00 176.83 177.00 1u15 h GLN 171 N 0.36 1.02 0.26 3.45 5.75 -0.56 0.85 115.11 126.24 1u15 h GLN 171 Ca -0.10 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1u15 h GLN 171 Cb 1.59 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.92 1u15 h GLN 171 CO 0.18 0.67 -0.13 0.35 -2.65 0.00 0.00 178.83 177.26 1u15 h PHE 172 N 1.05 -0.33 -1.01 3.99 3.57 -1.43 -1.34 116.94 121.44 1u15 h PHE 172 Ca 0.31 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.82 1u15 h PHE 172 Cb -0.04 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1u15 h PHE 172 CO -0.00 -0.10 0.67 -0.07 -2.23 0.00 0.00 178.31 176.57 1u15 h LEU 173 N -0.49 1.14 -1.06 0.59 3.38 -1.05 -2.37 115.31 115.44 1u15 h LEU 173 Ca -0.04 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1u15 h LEU 173 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1u15 h LEU 173 CO 0.06 0.81 -0.46 -0.07 0.09 0.00 0.00 178.44 178.87 1u15 h LEU 174 N 1.34 0.03 -1.55 1.67 3.38 -0.74 -2.15 115.31 117.28 1u15 h LEU 174 Ca 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1u15 h LEU 174 Cb -0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1u15 h LEU 174 CO -0.09 0.48 0.13 0.77 0.09 0.00 0.00 178.44 179.82 1u15 h SER 175 N 0.02 0.38 0.09 -0.43 4.64 -0.69 0.12 113.55 117.68 1u15 h SER 175 Ca -0.00 -0.03 -0.28 0.00 -0.47 0.00 0.00 61.79 61.01 1u15 h SER 175 Cb 0.82 -0.10 0.03 0.00 -0.31 0.00 0.00 62.40 62.84 1u15 h SER 175 CO 0.06 0.34 -1.13 0.45 -0.87 0.00 0.00 176.83 175.69 1u15 h HIS 176 N 0.43 0.97 -0.98 4.77 3.86 -1.41 -3.00 115.15 119.80 1u15 h HIS 176 Ca 0.11 -0.59 0.02 0.00 -1.16 0.00 0.00 60.37 58.75 1u15 h HIS 176 Cb 0.07 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1u15 h HIS 176 CO 0.00 1.43 0.65 0.00 0.86 0.00 0.00 177.93 180.87 1u15 h ALA 177 N 0.30 1.32 -0.60 2.45 0.00 -0.87 -1.13 119.26 120.73 1u15 h ALA 177 Ca -0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1u15 h ALA 177 Cb 1.81 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1u15 h ALA 177 CO 0.22 0.62 0.21 0.28 0.00 0.00 0.00 179.25 180.57 1u15 h VAL 178 N 1.30 1.24 -0.53 0.00 2.07 -0.82 -0.92 116.25 118.59 1u15 h VAL 178 Ca 0.37 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1u15 h VAL 178 Cb -0.10 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1u15 h VAL 178 CO -0.09 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.67 1u15 h ALA 179 N 1.07 0.76 0.00 1.67 0.00 -1.29 -2.55 119.26 118.93 1u15 h ALA 179 Ca 0.20 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1u15 h ALA 179 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u15 h ALA 179 CO -0.01 0.67 -0.32 -0.07 0.00 0.00 0.00 179.25 179.53 1u15 h LEU 180 N 0.91 0.00 -0.40 0.00 3.38 -1.03 -2.61 115.31 115.55 1u15 h LEU 180 Ca 0.14 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1u15 h LEU 180 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1u15 h LEU 180 CO 0.05 0.32 -0.62 0.74 0.09 0.00 0.00 178.44 179.02 1u15 h THR 181 N 0.00 1.32 0.00 0.22 2.02 -0.84 -1.69 112.91 113.94 1u15 h THR 181 Ca -0.00 -1.88 -0.05 0.00 0.77 0.00 0.00 66.41 65.24 1u15 h THR 181 Cb 0.72 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1u15 h THR 181 CO 0.04 0.59 -0.25 0.03 0.37 0.00 0.00 175.52 176.30 1u15 h ARG 182 N 0.46 0.00 -0.33 6.66 3.08 -1.10 -1.84 114.38 121.30 1u15 h ARG 182 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1u15 h ARG 182 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1u15 h ARG 182 CO 0.12 0.25 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.55 1u15 h ASP 183 N 0.00 0.71 0.25 7.04 3.45 -1.09 -1.74 116.42 125.04 1u15 h ASP 183 Ca -0.00 -0.27 -0.09 0.00 0.43 0.00 0.00 57.03 57.10 1u15 h ASP 183 Cb 0.50 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1u15 h ASP 183 CO 0.03 0.95 -0.35 -1.28 -1.57 0.00 0.00 179.24 177.03 1u15 h SER 184 N 0.59 0.15 0.01 6.45 0.87 -0.54 -0.71 113.55 120.36 1u15 h SER 184 Ca 0.07 -0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.33 1u15 h SER 184 Cb 0.78 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1u15 h SER 184 CO 0.06 0.49 -0.96 -0.08 -0.53 0.00 0.00 176.83 175.81 1u15 h GLU 185 N 0.13 0.69 -0.25 2.24 4.81 -1.09 -2.30 114.58 118.81 1u15 h GLU 185 Ca 0.02 -0.69 -0.04 0.00 -0.13 0.00 0.00 59.36 58.51 1u15 h GLU 185 Cb 0.68 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1u15 h GLU 185 CO 0.05 1.28 0.01 0.00 -0.73 0.00 0.00 179.01 179.62 1u15 h ARG 186 N 0.41 0.43 -0.65 1.92 3.08 -1.11 -1.33 114.38 117.13 1u15 h ARG 186 Ca -0.10 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 59.89 1u15 h ARG 186 Cb 1.61 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.55 1u15 h ARG 186 CO 0.19 0.60 0.31 -0.07 -1.07 0.00 0.00 179.97 179.93 1u15 h LEU 187 N 0.21 0.41 -0.96 3.04 3.38 -1.16 0.26 115.31 120.48 1u15 h LEU 187 Ca 0.07 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1u15 h LEU 187 Cb 0.40 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1u15 h LEU 187 CO 0.01 0.25 0.61 1.23 0.09 0.00 0.00 178.44 180.63 1u15 h GLY 188 N 0.56 1.49 1.06 0.83 0.00 -1.00 -0.55 103.07 105.46 1u15 h GLY 188 Ca 0.31 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1u15 h GLY 188 CO -0.25 0.27 -0.02 0.83 0.00 0.00 0.00 176.54 177.37 1u15 h GLU 189 N 1.07 1.00 -0.02 4.80 5.08 0.13 -2.85 114.58 123.79 1u15 h GLU 189 Ca 0.43 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1u15 h GLU 189 Cb 0.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1u15 h GLU 189 CO -0.20 1.01 0.01 0.28 -1.00 0.00 0.00 179.01 179.11 1u15 h VAL 190 N 0.88 1.09 -0.94 3.13 2.07 -0.43 -2.91 116.25 119.14 1u15 h VAL 190 Ca 0.15 -0.26 0.25 0.00 0.82 0.00 0.00 66.70 67.67 1u15 h VAL 190 Cb 0.57 1.24 -0.13 0.00 -1.52 0.00 0.00 31.29 31.45 1u15 h VAL 190 CO 0.03 0.07 0.46 0.50 0.02 0.00 0.00 177.57 178.65 1u15 h LYS 191 N -0.08 0.40 -0.85 1.57 3.64 -0.98 -0.71 116.57 119.56 1u15 h LYS 191 Ca 0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1u15 h LYS 191 Cb 0.11 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1u15 h LYS 191 CO -0.00 0.26 0.56 0.87 -2.27 0.00 0.00 179.45 178.87 1u15 h LYS 192 N 0.41 1.12 0.00 1.90 1.57 -1.29 0.23 116.57 120.50 1u15 h LYS 192 Ca 0.62 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.26 1u15 h LYS 192 Cb 1.24 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1u15 h LYS 192 CO -0.55 0.74 -0.32 0.00 -0.57 0.00 0.00 179.45 178.76 1u15 h ARG 193 N 1.15 0.00 -0.02 3.15 3.08 -1.21 -2.76 114.38 117.76 1u15 h ARG 193 Ca 0.31 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 1u15 h ARG 193 Cb -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1u15 h ARG 193 CO -0.07 0.32 -0.73 0.82 -1.07 0.00 0.00 179.97 179.24 1u15 h ILE 194 N 0.00 1.46 0.00 2.04 2.04 -0.99 -3.23 117.51 118.83 1u15 h ILE 194 Ca -0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1u15 h ILE 194 Cb 1.15 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 1u15 h ILE 194 CO 0.04 0.68 0.00 -3.20 0.00 0.00 0.00 178.15 175.67 1u15 n ASN 195 N -3.74 3.95 -3.84 1.72 5.15 0.03 -4.68 115.26 113.85 1u15 n ASN 195 Ca -0.02 -2.03 -0.29 0.00 -0.60 0.00 0.00 54.58 51.63 1u15 n ASN 195 Cb 0.70 -0.83 -0.16 0.00 -0.53 0.00 0.00 39.78 38.97 1u15 n ASN 195 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1u15 s VAL 196 N 0.45 1.03 -0.04 3.44 1.01 -1.22 -1.52 120.40 123.55 1u15 s VAL 196 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 61.98 60.77 1u15 s VAL 196 Cb 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.85 1u15 s VAL 196 CO 0.00 -0.13 1.84 -0.11 0.00 0.00 0.00 175.10 176.70 1u15 n LEU 197 N 4.86 3.44 0.01 3.92 7.94 0.62 -4.59 117.00 133.20 1u15 n LEU 197 Ca -0.11 0.99 0.11 0.00 -1.11 0.00 0.00 56.01 55.89 1u15 n LEU 197 Cb 0.46 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 42.95 1u15 n LEU 197 CO 0.16 -0.07 -0.26 -0.81 -1.11 0.00 0.00 177.39 175.29 1u15 n PRO 198 N 6.18 0.38 -1.79 1.96 -0.04 -1.26 0.69 135.00 141.12 1u15 n PRO 198 Ca 0.22 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 1u15 n PRO 198 Cb 0.30 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1u15 n PRO 198 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1u15 s LEU 199 N -4.05 4.34 0.00 1.53 0.20 -1.26 -2.48 118.68 116.96 1u15 s LEU 199 Ca 0.00 2.97 0.00 0.00 0.69 0.00 0.00 54.13 57.79 1u15 s LEU 199 Cb 0.14 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 42.26 1u15 s LEU 199 CO 0.85 -0.90 0.00 0.61 -0.29 0.00 0.00 176.35 176.62 1u15 n GLY 200 N 1.77 1.05 0.02 7.98 0.00 -1.26 -4.95 105.19 109.80 1u15 n GLY 200 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1u15 n GLY 200 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u15 n SER 201 N 0.00 0.76 0.00 1.61 7.64 -1.04 -2.24 113.62 120.35 1u15 n SER 201 Ca 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1u15 n SER 201 Cb 0.00 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1u15 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u15 n GLY 202 N 1.49 0.52 0.09 0.23 0.00 -1.24 -0.99 105.19 105.29 1u15 n GLY 202 Ca 0.05 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1u15 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u15 h ALA 203 N -0.71 0.48 0.00 4.61 0.00 -1.87 -3.33 119.26 118.44 1u15 h ALA 203 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1u15 h ALA 203 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u15 h ALA 203 CO 0.00 1.10 0.00 1.47 0.00 0.00 0.00 179.25 181.82 1u15 n LEU 204 N -3.49 0.00 -0.50 0.00 -0.00 -1.23 -4.84 117.00 106.94 1u15 n LEU 204 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.08 1u15 n LEU 204 Cb 0.87 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.31 1u15 n LEU 204 CO 0.47 0.00 0.36 0.00 -0.00 0.00 0.00 177.39 178.21 1u15 n ALA 205 N -0.01 2.97 0.00 1.47 0.00 -1.25 -2.99 120.51 120.70 1u15 n ALA 205 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1u15 n ALA 205 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1u15 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u15 n GLY 206 N 1.13 1.48 3.72 0.00 0.00 -0.16 -4.94 105.19 106.41 1u15 n GLY 206 Ca 0.08 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1u15 n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u15 s ASN 207 N 0.00 7.35 0.00 1.61 2.47 -0.95 -3.70 114.94 121.72 1u15 s ASN 207 Ca 0.00 1.63 0.29 0.00 0.42 0.00 0.00 52.86 55.20 1u15 s ASN 207 Cb 0.00 -2.55 1.23 0.00 -1.45 0.00 0.00 41.25 38.48 1u15 s ASN 207 CO 0.00 -0.16 1.85 -0.81 -3.72 0.00 0.00 177.10 174.26 1u15 n PRO 208 N 3.44 1.16 -0.53 0.43 -0.04 -1.26 -4.12 135.00 134.07 1u15 n PRO 208 Ca 0.03 -0.51 0.04 0.00 -0.04 0.00 0.00 63.50 63.02 1u15 n PRO 208 Cb 0.50 -1.49 0.23 0.00 -0.04 0.00 0.00 33.50 32.70 1u15 n PRO 208 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u15 n LEU 209 N -0.47 3.80 -3.37 1.53 4.77 -1.26 -4.96 117.00 117.03 1u15 n LEU 209 Ca 0.18 -3.29 -0.24 0.00 -0.03 0.00 0.00 56.01 52.63 1u15 n LEU 209 Cb 0.28 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1u15 n LEU 209 CO 0.20 0.88 0.06 -0.67 -1.33 0.00 0.00 177.39 176.52 1u15 n ASP 210 N -0.83 -5.41 -4.61 -1.43 4.64 -1.26 -4.91 116.55 102.74 1u15 n ASP 210 Ca 0.25 -0.45 -0.39 0.00 -1.38 0.00 0.00 54.79 52.82 1u15 n ASP 210 Cb 0.92 -4.36 0.04 0.00 -1.04 0.00 0.00 41.12 36.68 1u15 n ASP 210 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u15 n ILE 211 N -4.52 3.12 -2.71 5.18 0.13 -1.26 -4.87 119.36 114.44 1u15 n ILE 211 Ca -0.04 -0.50 -0.43 0.00 -1.10 0.00 0.00 62.75 60.69 1u15 n ILE 211 Cb 0.57 -1.16 -0.02 0.00 -0.84 0.00 0.00 39.64 38.20 1u15 n ILE 211 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1u15 s ASP 212 N -1.03 6.67 0.48 9.51 -1.08 -1.26 -4.83 116.67 125.13 1u15 s ASP 212 Ca 0.70 -1.99 0.20 0.00 -0.52 0.00 0.00 52.55 50.94 1u15 s ASP 212 Cb -0.47 -2.51 1.21 0.00 -1.46 0.00 0.00 42.92 39.69 1u15 s ASP 212 CO 0.51 -1.23 2.03 0.03 0.52 0.00 0.00 175.17 177.04 1u15 h ARG 213 N 8.78 0.00 -0.60 4.34 3.08 -1.92 -2.13 114.38 125.93 1u15 h ARG 213 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1u15 h ARG 213 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1u15 h ARG 213 CO 1.33 0.15 0.16 1.49 -1.07 0.00 0.00 179.97 182.03 1u15 h GLU 214 N 0.00 0.94 -0.66 0.04 4.57 -1.98 0.11 114.58 117.60 1u15 h GLU 214 Ca -0.00 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 1u15 h GLU 214 Cb 0.31 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1u15 h GLU 214 CO 0.02 0.86 0.13 1.98 -1.18 0.00 0.00 179.01 180.82 1u15 h MET 215 N 0.86 1.08 -0.83 1.92 4.05 -1.82 -2.24 114.93 117.96 1u15 h MET 215 Ca 0.19 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1u15 h MET 215 Cb 0.32 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1u15 h MET 215 CO -0.00 0.98 0.43 -0.07 0.23 0.00 0.00 176.91 178.48 1u15 h LEU 216 N 1.01 1.05 -0.06 3.39 3.38 -0.83 -2.08 115.31 121.16 1u15 h LEU 216 Ca 0.21 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1u15 h LEU 216 Cb 0.41 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1u15 h LEU 216 CO 0.01 0.86 -0.18 -0.09 0.09 0.00 0.00 178.44 179.13 1u15 h ARG 217 N 1.16 -0.26 0.00 1.13 2.43 -0.22 -2.53 114.38 116.09 1u15 h ARG 217 Ca 0.29 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1u15 h ARG 217 Cb 0.06 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1u15 h ARG 217 CO -0.04 -0.17 0.00 0.66 -1.51 0.00 0.00 179.97 178.90 1u15 h SER 218 N -0.27 0.00 0.39 -3.80 4.64 -1.22 -0.07 113.55 113.23 1u15 h SER 218 Ca 0.07 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 1u15 h SER 218 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1u15 h SER 218 CO -0.22 0.00 -1.05 -0.33 -0.87 0.00 0.00 176.83 174.37 1u15 h GLU 219 N 0.00 0.39 -0.01 4.77 4.39 -1.05 -3.17 114.58 119.90 1u15 h GLU 219 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1u15 h GLU 219 Cb 0.62 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1u15 h GLU 219 CO 0.00 1.16 -0.35 1.28 -1.16 0.00 0.00 179.01 179.94 1u15 n LEU 220 N -3.70 1.40 -3.28 1.33 4.77 -0.98 -4.98 117.00 111.56 1u15 n LEU 220 Ca -0.08 -0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 55.25 1u15 n LEU 220 Cb 0.90 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.99 1u15 n LEU 220 CO 0.53 0.26 0.21 -0.62 -1.33 0.00 0.00 177.39 176.43 1u15 n GLU 221 N -0.43 -7.05 -3.22 3.23 1.02 -0.27 -5.02 120.64 108.90 1u15 n GLU 221 Ca 0.11 0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 57.68 1u15 n GLU 221 Cb 0.39 -5.55 -0.06 0.00 -0.02 0.00 0.00 31.44 26.20 1u15 n GLU 221 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1u15 s PHE 222 N -3.29 3.39 0.35 -0.32 0.40 -0.20 -4.99 117.98 113.31 1u15 s PHE 222 Ca 0.46 1.09 0.06 0.00 -0.60 0.00 0.00 56.93 57.94 1u15 s PHE 222 Cb -0.20 -2.44 0.64 0.00 0.51 0.00 0.00 43.02 41.53 1u15 s PHE 222 CO 0.66 0.14 1.85 0.00 0.70 0.00 0.00 175.22 178.57 1u15 h ALA 223 N 2.29 1.36 -2.57 5.36 0.00 -1.60 -3.43 119.26 120.68 1u15 h ALA 223 Ca -0.47 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1u15 h ALA 223 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1u15 h ALA 223 CO 0.66 0.43 0.37 -1.13 0.00 0.00 0.00 179.25 179.59 1u15 n SER 224 N -4.23 -1.64 -4.63 0.00 3.41 -1.21 -5.06 113.62 100.27 1u15 n SER 224 Ca 0.00 -1.99 -0.28 0.00 -0.26 0.00 0.00 58.87 56.34 1u15 n SER 224 Cb 0.30 2.69 -0.08 0.00 -0.26 0.00 0.00 64.21 66.86 1u15 n SER 224 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1u15 s ILE 225 N -2.20 3.58 0.39 -1.33 -4.36 -1.26 -0.28 121.20 115.75 1u15 s ILE 225 Ca 0.16 -1.38 -0.27 0.00 -0.26 0.00 0.00 60.65 58.91 1u15 s ILE 225 Cb -0.03 -2.76 -0.11 0.00 1.25 0.00 0.00 42.46 40.82 1u15 s ILE 225 CO 0.07 -0.03 1.35 -1.54 0.24 0.00 0.00 174.94 175.02 1u15 n SER 226 N 0.18 3.00 0.06 4.36 3.41 0.22 -4.78 113.62 120.06 1u15 n SER 226 Ca -0.11 1.16 -0.09 0.00 -0.26 0.00 0.00 58.87 59.57 1u15 n SER 226 Cb 0.54 -1.54 -0.13 0.00 -0.26 0.00 0.00 64.21 62.83 1u15 n SER 226 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1u15 h LEU 227 N 2.43 0.10 -7.11 1.04 3.38 -1.98 -3.46 115.31 109.71 1u15 h LEU 227 Ca -0.48 -0.11 -0.39 0.00 0.09 0.00 0.00 57.88 56.98 1u15 h LEU 227 Cb 1.28 -0.03 -0.39 0.00 0.09 0.00 0.00 40.66 41.61 1u15 h LEU 227 CO 0.62 1.09 -0.71 0.21 0.09 0.00 0.00 178.44 179.74 1u15 s ASN 228 N -6.73 1.63 0.34 -0.43 2.47 -1.26 -5.05 114.94 105.91 1u15 s ASN 228 Ca -0.01 -0.22 0.13 0.00 0.42 0.00 0.00 52.86 53.18 1u15 s ASN 228 Cb 0.09 -0.04 1.00 0.00 -1.45 0.00 0.00 41.25 40.85 1u15 s ASN 228 CO 0.83 -0.30 1.71 0.77 -3.72 0.00 0.00 177.10 176.39 1u15 h SER 229 N 8.40 0.59 -0.06 -4.21 4.64 -1.88 0.34 113.55 121.37 1u15 h SER 229 Ca -0.14 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1u15 h SER 229 Cb 1.14 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1u15 h SER 229 CO 0.23 0.01 -0.02 0.24 -0.87 0.00 0.00 176.83 176.42 1u15 h MET 230 N 0.46 0.11 -0.42 4.77 2.86 -1.87 -2.57 114.93 118.26 1u15 h MET 230 Ca 0.68 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 58.24 1u15 h MET 230 Cb 1.46 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 1u15 h MET 230 CO -0.50 0.46 0.11 0.22 1.06 0.00 0.00 176.91 178.25 1u15 h ASP 231 N -0.24 0.63 -0.76 1.22 3.58 -1.57 -2.40 116.42 116.88 1u15 h ASP 231 Ca 0.01 -0.23 0.18 0.00 0.42 0.00 0.00 57.03 57.42 1u15 h ASP 231 Cb 0.42 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 1u15 h ASP 231 CO 0.01 0.69 0.52 0.00 -2.88 0.00 0.00 179.24 177.58 1u15 h ALA 232 N 0.96 2.35 0.09 -0.78 0.00 -0.34 -1.21 119.26 120.34 1u15 h ALA 232 Ca 0.13 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 1u15 h ALA 232 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1u15 h ALA 232 CO 0.00 -0.57 -1.77 0.82 0.00 0.00 0.00 179.25 177.73 1u15 h ILE 233 N 0.24 0.85 -0.01 0.00 1.08 -1.25 -3.40 117.51 115.03 1u15 h ILE 233 Ca 0.37 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1u15 h ILE 233 Cb 1.11 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 37.42 1u15 h ILE 233 CO -0.09 0.75 -0.59 -1.54 -0.69 0.00 0.00 178.15 176.00 1u15 n SER 234 N -3.35 1.23 -4.84 1.72 3.41 -0.92 -4.84 113.62 106.04 1u15 n SER 234 Ca -0.23 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.03 1u15 n SER 234 Cb 1.05 0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 65.46 1u15 n SER 234 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1u15 s GLU 235 N -2.74 4.03 -0.24 4.33 4.04 -0.48 -4.98 118.70 122.66 1u15 s GLU 235 Ca 0.15 0.56 0.20 0.00 0.04 0.00 0.00 54.97 55.92 1u15 s GLU 235 Cb 0.18 -2.99 0.49 0.00 0.02 0.00 0.00 34.13 31.83 1u15 s GLU 235 CO 0.67 0.51 1.13 0.54 -1.84 0.00 0.00 175.26 176.27 1u15 n ARG 236 N 1.00 1.89 -0.23 -4.83 5.12 -1.26 -4.83 116.66 113.52 1u15 n ARG 236 Ca -0.06 -3.49 -0.07 0.00 -1.93 0.00 0.00 57.85 52.30 1u15 n ARG 236 Cb 0.52 -1.59 0.04 0.00 -1.16 0.00 0.00 32.46 30.26 1u15 n ARG 236 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1u15 h ASP 237 N 2.39 0.83 -0.76 0.55 5.19 -1.98 -2.11 116.42 120.53 1u15 h ASP 237 Ca -0.06 -0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.23 1u15 h ASP 237 Cb 1.36 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.61 1u15 h ASP 237 CO 0.26 0.73 0.50 2.19 -3.12 0.00 0.00 179.24 179.81 1u15 h PHE 238 N 0.87 0.92 0.45 4.55 -5.15 -1.94 -0.51 116.94 116.14 1u15 h PHE 238 Ca 0.22 0.02 -0.02 0.00 -0.20 0.00 0.00 57.97 57.99 1u15 h PHE 238 Cb 0.12 -0.31 0.00 0.00 0.22 0.00 0.00 35.95 35.99 1u15 h PHE 238 CO 0.00 0.56 -0.22 0.28 -2.00 0.00 0.00 178.31 176.93 1u15 h VAL 239 N 0.98 0.37 -0.49 0.88 2.07 -1.85 -1.71 116.25 116.50 1u15 h VAL 239 Ca 0.29 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1u15 h VAL 239 Cb -0.03 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 30.17 1u15 h VAL 239 CO -0.07 0.07 -0.34 0.58 0.02 0.00 0.00 177.57 177.82 1u15 h VAL 240 N -0.99 0.19 -0.25 2.57 2.07 -1.13 0.22 116.25 118.93 1u15 h VAL 240 Ca -0.06 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 1u15 h VAL 240 Cb 0.57 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1u15 h VAL 240 CO 0.10 0.00 -0.31 1.05 0.02 0.00 0.00 177.57 178.43 1u15 h GLU 241 N -0.22 0.52 -0.54 1.57 4.11 -1.16 0.45 114.58 119.31 1u15 h GLU 241 Ca 0.20 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1u15 h GLU 241 Cb 0.55 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1u15 h GLU 241 CO -0.61 0.78 0.29 0.35 0.07 0.00 0.00 179.01 179.89 1u15 h PHE 242 N 0.45 0.75 -0.56 2.06 3.57 -0.58 0.44 116.94 123.08 1u15 h PHE 242 Ca 0.06 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1u15 h PHE 242 Cb 0.77 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1u15 h PHE 242 CO 0.03 0.56 0.01 -0.07 -2.23 0.00 0.00 178.31 176.60 1u15 h LEU 243 N 0.72 0.96 -0.12 0.59 3.38 -0.07 0.12 115.31 120.90 1u15 h LEU 243 Ca 0.19 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1u15 h LEU 243 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1u15 h LEU 243 CO -0.03 1.03 0.06 -1.28 0.09 0.00 0.00 178.44 178.31 1u15 h SER 244 N 0.86 0.15 -0.53 -0.43 0.87 0.31 0.04 113.55 114.82 1u15 h SER 244 Ca 0.16 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1u15 h SER 244 Cb 0.53 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1u15 h SER 244 CO 0.03 0.22 0.22 0.58 -0.53 0.00 0.00 176.83 177.35 1u15 h VAL 245 N 0.07 1.21 -0.54 2.23 2.07 -0.83 -1.78 116.25 118.69 1u15 h VAL 245 Ca 0.04 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1u15 h VAL 245 Cb 0.11 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1u15 h VAL 245 CO -0.01 0.25 0.23 0.00 0.02 0.00 0.00 177.57 178.06 1u15 h ALA 246 N 1.07 0.69 -0.16 1.67 0.00 -0.50 -1.68 119.26 120.34 1u15 h ALA 246 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1u15 h ALA 246 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u15 h ALA 246 CO -0.02 -0.15 0.10 1.15 0.00 0.00 0.00 179.25 180.33 1u15 h THR 247 N 0.43 1.02 -0.62 0.00 2.02 -0.56 -1.11 112.91 114.10 1u15 h THR 247 Ca 0.26 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 1u15 h THR 247 Cb 0.24 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1u15 h THR 247 CO -0.23 0.04 0.26 0.25 0.37 0.00 0.00 175.52 176.21 1u15 h LEU 248 N 0.20 0.81 -0.67 2.58 6.46 -1.08 0.58 115.31 124.20 1u15 h LEU 248 Ca 0.06 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.62 1u15 h LEU 248 Cb -0.01 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 1u15 h LEU 248 CO -0.03 0.72 -0.04 0.25 -0.62 0.00 0.00 178.44 178.72 1u15 h LEU 249 N 0.88 0.98 -1.17 2.25 5.85 -0.94 -1.78 115.31 121.37 1u15 h LEU 249 Ca 0.21 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1u15 h LEU 249 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1u15 h LEU 249 CO -0.02 1.05 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.71 1u15 h LEU 250 N 0.90 0.11 -0.58 2.25 -0.00 -0.54 -2.15 115.31 115.29 1u15 h LEU 250 Ca 0.15 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.95 1u15 h LEU 250 Cb 0.58 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1u15 h LEU 250 CO 0.04 0.46 0.19 0.40 -0.00 0.00 0.00 178.44 179.52 1u15 h ILE 251 N 0.09 1.24 -0.60 1.22 1.08 -0.17 0.36 117.51 120.73 1u15 h ILE 251 Ca 0.01 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1u15 h ILE 251 Cb 0.67 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1u15 h ILE 251 CO 0.05 0.30 0.34 0.45 -0.69 0.00 0.00 178.15 178.61 1u15 h HIS 252 N 0.82 0.81 -0.30 1.37 3.86 -0.96 -1.26 115.15 119.49 1u15 h HIS 252 Ca 0.19 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1u15 h HIS 252 Cb 0.28 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1u15 h HIS 252 CO 0.02 0.57 -0.25 -0.07 0.86 0.00 0.00 177.93 179.06 1u15 h LEU 253 N 0.81 0.59 -1.17 2.43 3.38 -0.95 -1.90 115.31 118.51 1u15 h LEU 253 Ca 0.21 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1u15 h LEU 253 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1u15 h LEU 253 CO -0.04 0.82 -0.14 0.77 0.09 0.00 0.00 178.44 179.94 1u15 h SER 254 N 0.51 0.39 -0.19 -0.43 4.64 0.19 0.38 113.55 119.05 1u15 h SER 254 Ca 0.07 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1u15 h SER 254 Cb 0.70 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1u15 h SER 254 CO 0.05 0.57 0.02 0.50 -0.87 0.00 0.00 176.83 177.10 1u15 h LYS 255 N 0.38 0.31 -0.50 4.77 3.64 -0.69 -1.82 116.57 122.67 1u15 h LYS 255 Ca 0.07 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1u15 h LYS 255 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1u15 h LYS 255 CO 0.03 0.48 -0.03 1.98 -2.27 0.00 0.00 179.45 179.64 1u15 h MET 256 N 0.09 0.87 -0.09 1.90 4.05 -1.02 -2.12 114.93 118.61 1u15 h MET 256 Ca 0.06 -0.26 0.03 0.00 -0.28 0.00 0.00 59.70 59.24 1u15 h MET 256 Cb 0.33 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1u15 h MET 256 CO 0.00 0.89 -0.09 0.00 0.23 0.00 0.00 176.91 177.94 1u15 h ALA 257 N 1.16 -0.02 -0.65 0.39 0.00 -0.05 -1.45 119.26 118.63 1u15 h ALA 257 Ca 0.15 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1u15 h ALA 257 Cb 0.52 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1u15 h ALA 257 CO 0.03 -0.56 0.31 1.49 0.00 0.00 0.00 179.25 180.52 1u15 h GLU 258 N -0.12 0.54 0.43 0.00 4.57 -1.08 -1.11 114.58 117.81 1u15 h GLU 258 Ca 0.07 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1u15 h GLU 258 Cb 0.22 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1u15 h GLU 258 CO -0.16 0.36 -0.21 -0.44 -1.18 0.00 0.00 179.01 177.37 1u15 h ASP 259 N 0.56 -0.49 -0.70 1.04 3.32 -0.80 -2.04 116.42 117.29 1u15 h ASP 259 Ca 0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1u15 h ASP 259 Cb 0.31 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1u15 h ASP 259 CO -0.25 -0.33 0.23 -0.07 -1.72 0.00 0.00 179.24 177.10 1u15 h LEU 260 N -0.61 1.03 -0.20 1.55 4.07 -1.16 0.12 115.31 120.12 1u15 h LEU 260 Ca -0.06 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1u15 h LEU 260 Cb 0.46 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1u15 h LEU 260 CO 0.10 0.95 0.13 0.40 -1.08 0.00 0.00 178.44 178.94 1u15 h ILE 261 N 1.06 1.05 -0.41 1.22 2.04 -1.15 0.67 117.51 121.99 1u15 h ILE 261 Ca 0.23 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 1u15 h ILE 261 Cb 0.29 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1u15 h ILE 261 CO -0.01 0.05 0.09 0.40 0.00 0.00 0.00 178.15 178.68 1u15 h ILE 262 N 0.26 1.23 0.00 -0.67 2.04 -1.12 -2.35 117.51 116.90 1u15 h ILE 262 Ca 0.07 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1u15 h ILE 262 Cb -0.03 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1u15 h ILE 262 CO -0.02 0.28 -0.13 1.88 0.00 0.00 0.00 178.15 180.16 1u15 h TYR 263 N 0.53 0.00 -0.26 1.37 -1.99 -0.35 -2.46 116.97 113.81 1u15 h TYR 263 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1u15 h TYR 263 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1u15 h TYR 263 CO 0.02 0.13 0.00 -1.13 -0.00 0.00 0.00 178.16 177.18 1u15 n SER 264 N -3.58 1.85 -3.72 3.88 3.41 0.23 -1.57 113.62 114.12 1u15 n SER 264 Ca -0.01 -1.83 -0.29 0.00 -0.26 0.00 0.00 58.87 56.48 1u15 n SER 264 Cb 0.27 -0.17 0.21 0.00 -0.26 0.00 0.00 64.21 64.26 1u15 n SER 264 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u15 n THR 265 N 0.47 0.00 0.02 6.66 -2.24 -0.92 -4.82 114.28 113.45 1u15 n THR 265 Ca 0.15 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 61.12 1u15 n THR 265 Cb 0.33 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.04 1u15 n THR 265 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u15 h SER 266 N -2.03 0.00 -0.29 3.42 4.64 -1.90 -1.23 113.55 116.16 1u15 h SER 266 Ca -0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1u15 h SER 266 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1u15 h SER 266 CO 0.28 0.74 0.11 -0.33 -0.87 0.00 0.00 176.83 176.77 1u15 h GLU 267 N 0.00 0.44 0.00 4.77 3.07 -1.93 -3.27 114.58 117.66 1u15 h GLU 267 Ca -0.18 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 1u15 h GLU 267 Cb 1.72 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.56 1u15 h GLU 267 CO 0.06 0.46 -0.16 0.74 -1.40 0.00 0.00 179.01 178.71 1u15 h PHE 268 N 0.32 0.00 -0.73 4.33 -1.00 -1.80 -3.48 116.94 114.59 1u15 h PHE 268 Ca 0.10 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.59 1u15 h PHE 268 Cb 0.19 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.64 1u15 h PHE 268 CO -0.00 0.87 -0.26 0.41 -1.61 0.00 0.00 178.31 177.72 1u15 n GLY 269 N 1.62 1.38 0.22 -1.45 0.00 -0.46 -4.91 105.19 101.59 1u15 n GLY 269 Ca -0.11 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1u15 n GLY 269 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u15 h PHE 270 N 0.00 0.00 -2.05 1.61 0.04 -1.53 -3.42 116.94 111.60 1u15 h PHE 270 Ca -0.29 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.63 1u15 h PHE 270 Cb 0.93 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.91 1u15 h PHE 270 CO 0.39 0.16 0.58 -0.48 -0.60 0.00 0.00 178.31 178.36 1u15 s LEU 271 N -6.46 -0.31 -0.06 1.54 0.05 -1.18 -1.82 118.68 110.45 1u15 s LEU 271 Ca 0.03 0.01 0.01 0.00 0.05 0.00 0.00 54.13 54.23 1u15 s LEU 271 Cb 0.08 1.85 0.02 0.00 -2.05 0.00 0.00 46.19 46.09 1u15 s LEU 271 CO 0.63 -0.51 -0.06 -0.89 -0.55 0.00 0.00 176.35 174.97 1u15 s THR 272 N -2.86 0.70 0.77 5.48 2.01 0.12 -4.17 115.64 117.69 1u15 s THR 272 Ca 0.06 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.74 1u15 s THR 272 Cb -0.01 -0.71 0.06 0.00 0.01 0.00 0.00 72.50 71.86 1u15 s THR 272 CO -0.08 0.27 1.12 -0.76 -0.69 0.00 0.00 174.62 174.48 1u15 s LEU 273 N 0.98 3.09 0.56 4.42 2.01 -1.26 -0.58 118.68 127.91 1u15 s LEU 273 Ca -0.10 1.98 -0.10 0.00 0.01 0.00 0.00 54.13 55.92 1u15 s LEU 273 Cb -0.14 -4.54 -0.04 0.00 0.01 0.00 0.00 46.19 41.47 1u15 s LEU 273 CO 0.00 -2.19 0.95 -0.94 1.01 0.00 0.00 176.35 175.18 1u15 s SER 274 N -2.98 6.30 0.30 2.29 1.04 -1.26 -4.82 113.70 114.57 1u15 s SER 274 Ca 0.65 1.29 0.06 0.00 0.48 0.00 0.00 55.95 58.43 1u15 s SER 274 Cb -0.20 -2.41 0.76 0.00 0.10 0.00 0.00 66.02 64.27 1u15 s SER 274 CO 0.53 -0.74 1.74 0.44 0.98 0.00 0.00 173.24 176.19 1u15 h ASP 275 N 0.04 0.63 0.07 7.02 3.32 -1.95 -1.35 116.42 124.21 1u15 h ASP 275 Ca -0.45 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1u15 h ASP 275 Cb 1.19 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1u15 h ASP 275 CO 0.62 0.16 -0.04 0.00 -1.72 0.00 0.00 179.24 178.26 1u15 h ALA 276 N 1.68 1.62 -0.22 3.45 0.00 -2.01 -2.89 119.26 120.89 1u15 h ALA 276 Ca 0.58 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 1u15 h ALA 276 Cb 1.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1u15 h ALA 276 CO -0.44 0.05 -0.11 1.19 0.00 0.00 0.00 179.25 179.94 1u15 n PHE 277 N -4.03 0.70 -4.10 0.00 3.01 -0.52 -5.02 117.46 107.51 1u15 n PHE 277 Ca -0.03 -1.31 -0.12 0.00 1.01 0.00 0.00 57.45 57.00 1u15 n PHE 277 Cb 0.12 -0.36 -0.07 0.00 -0.01 0.00 0.00 39.48 39.17 1u15 n PHE 277 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1u15 s SER 278 N -2.56 0.33 0.18 4.37 1.04 -1.09 -3.63 113.70 112.34 1u15 s SER 278 Ca 0.41 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.63 1u15 s SER 278 Cb 0.36 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.98 1u15 s SER 278 CO 0.01 -1.08 -0.08 -0.89 0.98 0.00 0.00 173.24 172.18 1u15 s THR 279 N -3.79 1.24 -0.04 2.02 2.01 -0.37 -4.91 115.64 111.80 1u15 s THR 279 Ca 0.31 -2.08 -0.31 0.00 0.31 0.00 0.00 61.69 59.92 1u15 s THR 279 Cb 0.02 -2.03 0.12 0.00 0.01 0.00 0.00 72.50 70.62 1u15 s THR 279 CO 0.14 -0.60 1.29 -0.83 -0.69 0.00 0.00 174.62 173.93 1u15 s GLY 280 N -3.24 -0.41 0.10 4.40 0.00 -1.26 0.61 107.32 107.52 1u15 s GLY 280 Ca 0.21 0.79 0.09 0.00 0.00 0.00 0.00 44.72 45.81 1u15 s GLY 280 CO 0.04 0.16 -0.20 -1.35 0.00 0.00 0.00 173.10 171.75 1u15 s SER 281 N -2.91 3.75 0.55 1.64 1.04 -1.26 -5.01 113.70 111.50 1u15 s SER 281 Ca 0.14 -0.56 0.21 0.00 0.48 0.00 0.00 55.95 56.22 1u15 s SER 281 Cb 0.05 -0.50 1.47 0.00 0.10 0.00 0.00 66.02 67.14 1u15 s SER 281 CO -0.04 0.20 2.18 0.77 0.98 0.00 0.00 173.24 177.32 1u15 h SER 282 N 3.95 0.00 0.60 7.02 4.64 -1.98 -0.80 113.55 126.98 1u15 h SER 282 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 1u15 h SER 282 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1u15 h SER 282 CO 0.45 0.00 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.14 1u15 h LEU 283 N 0.00 0.00 -5.93 5.97 3.38 -2.02 -3.18 115.31 113.53 1u15 h LEU 283 Ca 0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.47 1u15 h LEU 283 Cb 0.06 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.41 1u15 h LEU 283 CO -0.00 0.20 -1.11 0.23 0.09 0.00 0.00 178.44 177.84 1u15 n MET 284 N -3.57 1.20 0.19 1.13 2.81 -0.40 -4.99 117.12 113.49 1u15 n MET 284 Ca -0.01 -3.54 0.16 0.00 -1.81 0.00 0.00 57.70 52.50 1u15 n MET 284 Cb 0.34 -1.69 0.59 0.00 -0.71 0.00 0.00 33.22 31.75 1u15 n MET 284 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1u15 h PRO 285 N 3.20 0.00 0.00 0.03 0.13 -1.29 -0.29 132.00 133.78 1u15 h PRO 285 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1u15 h PRO 285 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1u15 h PRO 285 CO 0.53 0.00 -0.94 1.96 -0.23 0.00 0.00 178.00 179.33 1u15 h GLN 286 N 0.00 0.00 -6.49 0.86 1.08 -1.93 -3.46 115.11 105.17 1u15 h GLN 286 Ca 0.12 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.79 1u15 h GLN 286 Cb 1.35 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1u15 h GLN 286 CO -0.00 0.12 0.52 0.21 -0.95 0.00 0.00 178.83 178.72 1u15 s LYS 287 N -3.20 4.47 -0.11 1.46 2.20 -0.12 -5.04 119.74 119.42 1u15 s LYS 287 Ca 0.00 1.70 0.02 0.00 -0.36 0.00 0.00 55.97 57.33 1u15 s LYS 287 Cb 0.09 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1u15 s LYS 287 CO 0.78 -0.19 -0.15 0.15 -0.36 0.00 0.00 175.35 175.58 1u15 s LYS 288 N 0.92 2.17 -0.21 4.03 1.02 -1.26 -4.47 119.74 121.94 1u15 s LYS 288 Ca 0.57 -0.54 -0.14 0.00 0.02 0.00 0.00 55.97 55.87 1u15 s LYS 288 Cb -0.28 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1u15 s LYS 288 CO 0.29 -0.06 0.33 -0.80 -0.92 0.00 0.00 175.35 174.20 1u15 s ASN 289 N 0.98 6.36 -1.04 2.83 0.01 0.20 -4.89 114.94 119.38 1u15 s ASN 289 Ca -0.07 0.42 -0.08 0.00 -0.71 0.00 0.00 52.86 52.42 1u15 s ASN 289 Cb -0.15 -2.20 -0.06 0.00 0.41 0.00 0.00 41.25 39.25 1u15 s ASN 289 CO -0.01 -0.03 2.25 -0.81 -1.51 0.00 0.00 177.10 176.98 1u15 n PRO 290 N 4.38 2.34 -0.07 -0.60 -0.04 -1.26 -1.24 135.00 138.51 1u15 n PRO 290 Ca -0.10 -1.65 -0.07 0.00 -0.04 0.00 0.00 63.50 61.64 1u15 n PRO 290 Cb 0.51 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 1u15 n PRO 290 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1u15 h ASP 291 N 6.20 -0.19 -0.68 3.54 5.19 -1.91 -2.34 116.42 126.23 1u15 h ASP 291 Ca 0.56 0.07 0.13 0.00 -0.62 0.00 0.00 57.03 57.17 1u15 h ASP 291 Cb 0.23 0.14 -0.09 0.00 0.18 0.00 0.00 39.33 39.80 1u15 h ASP 291 CO 1.56 -0.06 0.22 0.77 -3.12 0.00 0.00 179.24 178.61 1u15 h SER 292 N 0.04 0.15 0.24 6.45 4.64 -1.85 0.19 113.55 123.42 1u15 h SER 292 Ca 0.13 0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 1u15 h SER 292 Cb 0.19 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1u15 h SER 292 CO -0.26 0.06 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.25 1u15 h LEU 293 N 0.36 0.27 -0.21 5.97 3.38 -1.74 -1.89 115.31 121.46 1u15 h LEU 293 Ca 0.36 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 1u15 h LEU 293 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1u15 h LEU 293 CO -0.40 0.68 -0.90 -0.33 0.09 0.00 0.00 178.44 177.59 1u15 h GLU 294 N 0.21 0.45 -0.83 1.13 5.08 -0.77 -1.57 114.58 118.27 1u15 h GLU 294 Ca 0.01 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1u15 h GLU 294 Cb 0.87 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1u15 h GLU 294 CO 0.07 1.10 0.48 1.25 -1.00 0.00 0.00 179.01 180.92 1u15 h LEU 295 N 0.27 1.02 -0.43 1.33 5.85 -0.49 -2.06 115.31 120.79 1u15 h LEU 295 Ca -0.07 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.40 1u15 h LEU 295 Cb 1.52 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1u15 h LEU 295 CO 0.16 0.80 -0.59 0.40 -0.34 0.00 0.00 178.44 178.86 1u15 h ILE 296 N 1.15 1.32 -0.60 4.05 2.04 -1.21 -2.94 117.51 121.32 1u15 h ILE 296 Ca 0.30 -1.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.26 1u15 h ILE 296 Cb -0.02 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1u15 h ILE 296 CO -0.05 0.58 0.15 -0.09 0.00 0.00 0.00 178.15 178.73 1u15 h ARG 297 N 0.47 0.92 -0.05 2.37 2.43 -0.96 -2.59 114.38 116.97 1u15 h ARG 297 Ca -0.00 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1u15 h ARG 297 Cb 1.16 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1u15 h ARG 297 CO 0.12 0.82 -0.42 0.66 -1.51 0.00 0.00 179.97 179.64 1u15 h SER 298 N 0.89 0.12 0.23 -3.80 4.64 -1.31 -2.77 113.55 111.55 1u15 h SER 298 Ca 0.19 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1u15 h SER 298 Cb 0.31 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1u15 h SER 298 CO -0.00 0.53 0.00 0.11 -0.87 0.00 0.00 176.83 176.59 1u15 h LYS 299 N 0.10 0.00 -0.60 4.77 1.79 -1.28 -0.39 116.57 120.96 1u15 h LYS 299 Ca 0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1u15 h LYS 299 Cb 0.78 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 1u15 h LYS 299 CO 0.06 0.00 0.31 0.00 -1.08 0.00 0.00 179.45 178.74 1u15 h ALA 300 N 2.02 0.77 -0.08 3.86 0.00 -1.56 0.39 119.26 124.65 1u15 h ALA 300 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u15 h ALA 300 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u15 h ALA 300 CO 0.00 0.30 0.03 0.78 0.00 0.00 0.00 179.25 180.36 1u15 h GLY 301 N 0.81 0.12 0.35 0.00 0.00 -1.25 -0.09 103.07 103.02 1u15 h GLY 301 Ca 0.21 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.58 1u15 h GLY 301 CO -0.03 0.06 0.28 -0.09 0.00 0.00 0.00 176.54 176.76 1u15 h ARG 302 N -0.02 0.46 -0.13 4.80 2.43 -1.25 0.24 114.38 120.91 1u15 h ARG 302 Ca 0.03 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1u15 h ARG 302 Cb 0.15 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1u15 h ARG 302 CO -0.00 0.31 -0.43 0.28 -1.51 0.00 0.00 179.97 178.62 1u15 h VAL 303 N 0.48 1.36 -0.98 0.20 2.07 -0.73 -2.68 116.25 115.96 1u15 h VAL 303 Ca 0.35 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 66.20 1u15 h VAL 303 Cb 0.44 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1u15 h VAL 303 CO -0.32 0.52 0.64 0.15 0.02 0.00 0.00 177.57 178.57 1u15 h PHE 304 N 0.14 1.18 -0.17 1.57 3.57 -0.56 -1.30 116.94 121.37 1u15 h PHE 304 Ca -0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1u15 h PHE 304 Cb 1.05 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1u15 h PHE 304 CO 0.11 0.65 -0.14 0.78 -2.23 0.00 0.00 178.31 177.48 1u15 h GLY 305 N 1.19 -0.03 0.97 2.40 0.00 -0.37 0.55 103.07 107.78 1u15 h GLY 305 Ca 0.40 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.92 1u15 h GLY 305 CO -0.14 -0.15 0.57 3.21 0.00 0.00 0.00 176.54 180.04 1u15 h ARG 306 N -0.15 1.12 0.03 4.80 2.47 -1.02 -1.24 114.38 120.38 1u15 h ARG 306 Ca 0.11 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1u15 h ARG 306 Cb 0.31 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1u15 h ARG 306 CO -0.26 0.74 -0.05 1.25 0.56 0.00 0.00 179.97 182.20 1u15 h LEU 307 N 1.15 -0.15 -0.60 3.04 5.85 -0.18 -2.46 115.31 121.95 1u15 h LEU 307 Ca 0.33 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1u15 h LEU 307 Cb -0.09 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1u15 h LEU 307 CO -0.08 -0.08 0.36 0.00 -0.34 0.00 0.00 178.44 178.29 1u15 h ALA 308 N 0.86 0.79 -0.37 1.25 0.00 -0.68 -1.83 119.26 119.28 1u15 h ALA 308 Ca 0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1u15 h ALA 308 Cb 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1u15 h ALA 308 CO -0.04 0.07 0.10 0.66 0.00 0.00 0.00 179.25 180.04 1u15 h SER 309 N 0.69 0.07 0.27 0.00 4.64 -0.94 -0.89 113.55 117.39 1u15 h SER 309 Ca 0.25 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.49 1u15 h SER 309 Cb 0.07 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1u15 h SER 309 CO -0.12 0.07 -0.51 0.40 -0.87 0.00 0.00 176.83 175.80 1u15 h ILE 310 N 0.23 1.35 -0.62 0.95 1.08 -1.21 -0.86 117.51 118.43 1u15 h ILE 310 Ca 0.17 -1.76 -0.04 0.00 -0.39 0.00 0.00 64.86 62.84 1u15 h ILE 310 Cb 0.18 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1u15 h ILE 310 CO -0.21 0.52 0.22 -0.07 -0.69 0.00 0.00 178.15 177.93 1u15 h LEU 311 N 0.21 0.84 -0.57 1.44 3.38 -0.85 -2.11 115.31 117.66 1u15 h LEU 311 Ca 0.01 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1u15 h LEU 311 Cb 0.97 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1u15 h LEU 311 CO 0.08 0.78 -0.56 -0.03 0.09 0.00 0.00 178.44 178.79 1u15 h MET 312 N 0.90 0.45 -0.43 1.13 4.05 -0.75 -2.76 114.93 117.52 1u15 h MET 312 Ca 0.21 -0.29 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 1u15 h MET 312 Cb 0.22 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1u15 h MET 312 CO -0.01 0.89 -0.04 0.28 0.23 0.00 0.00 176.91 178.25 1u15 h VAL 313 N 0.35 1.24 0.15 -5.77 2.07 -0.57 -3.23 116.25 110.49 1u15 h VAL 313 Ca 0.00 -1.03 -0.30 0.00 0.82 0.00 0.00 66.70 66.20 1u15 h VAL 313 Cb 1.09 0.96 0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1u15 h VAL 313 CO 0.10 0.35 -1.29 -0.07 0.02 0.00 0.00 177.57 176.68 1u15 h LEU 314 N 0.67 0.76 -9.25 2.57 3.38 -1.38 -3.44 115.31 108.62 1u15 h LEU 314 Ca 0.13 -0.74 -0.69 0.00 0.09 0.00 0.00 57.88 56.67 1u15 h LEU 314 Cb 0.48 -0.24 0.04 0.00 0.09 0.00 0.00 40.66 41.03 1u15 h LEU 314 CO 0.02 1.56 0.63 1.17 0.09 0.00 0.00 178.44 181.91 1u15 n LYS 315 N -3.72 1.26 -0.84 1.13 0.00 -1.05 -1.81 118.16 113.13 1u15 n LYS 315 Ca -0.13 0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1u15 n LYS 315 Cb 1.02 -2.13 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1u15 n LYS 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1u15 n GLY 316 N 3.12 0.63 3.73 3.14 0.00 -1.26 -4.99 105.19 109.55 1u15 n GLY 316 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1u15 n GLY 316 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u15 s LEU 317 N 0.00 4.40 0.95 0.99 1.43 -0.75 -5.01 118.68 120.69 1u15 s LEU 317 Ca 0.00 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 1u15 s LEU 317 Cb 0.00 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.79 1u15 s LEU 317 CO 0.00 -0.51 1.16 -2.16 0.23 0.00 0.00 176.35 175.08 1u15 s PRO 318 N 0.48 0.84 0.42 1.29 0.04 -1.26 -5.04 135.00 131.77 1u15 s PRO 318 Ca 0.58 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1u15 s PRO 318 Cb -0.34 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1u15 s PRO 318 CO 0.33 -2.37 0.64 -1.54 0.04 0.00 0.00 177.00 174.10 1u15 s SER 319 N -4.16 5.97 0.00 6.66 1.04 -1.26 -4.77 113.70 117.17 1u15 s SER 319 Ca 0.66 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1u15 s SER 319 Cb -0.12 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1u15 s SER 319 CO 0.53 -0.59 0.00 0.41 0.98 0.00 0.00 173.24 174.57 1u15 n THR 320 N -2.00 0.00 -3.13 2.02 -1.04 -1.26 -5.03 114.28 103.85 1u15 n THR 320 Ca -0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1u15 n THR 320 Cb 0.57 -0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 68.33 1u15 n THR 320 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1u15 s TYR 321 N 0.00 3.60 0.01 -1.42 5.04 -1.26 -4.56 117.35 118.76 1u15 s TYR 321 Ca 0.00 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 55.94 1u15 s TYR 321 Cb 0.00 -2.58 -0.01 0.00 0.35 0.00 0.00 41.96 39.72 1u15 s TYR 321 CO 0.00 0.31 0.03 -0.80 -1.34 0.00 0.00 175.55 173.75 1u15 s ASN 322 N -1.75 0.12 0.58 4.32 0.01 -1.26 -5.04 114.94 111.92 1u15 s ASN 322 Ca 0.44 -0.30 0.34 0.00 -0.71 0.00 0.00 52.86 52.64 1u15 s ASN 322 Cb -0.16 0.13 1.81 0.00 0.41 0.00 0.00 41.25 43.44 1u15 s ASN 322 CO 0.20 -0.26 2.18 0.50 -1.51 0.00 0.00 177.10 178.21 1u15 h LYS 323 N 4.84 0.00 -0.64 -0.60 1.63 -2.01 -2.33 116.57 117.45 1u15 h LYS 323 Ca -0.30 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.63 1u15 h LYS 323 Cb 1.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 1u15 h LYS 323 CO 0.42 0.04 0.43 -0.44 -3.45 0.00 0.00 179.45 176.46 1u15 h ASP 324 N 0.00 0.29 -0.28 4.20 5.19 -1.96 -1.83 116.42 122.05 1u15 h ASP 324 Ca -0.00 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.50 1u15 h ASP 324 Cb 0.21 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1u15 h ASP 324 CO 0.01 0.16 0.23 -0.07 -3.12 0.00 0.00 179.24 176.45 1u15 h LEU 325 N 0.32 0.00 -1.98 1.55 3.38 -1.76 -2.96 115.31 113.85 1u15 h LEU 325 Ca 0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1u15 h LEU 325 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1u15 h LEU 325 CO -0.08 0.00 0.35 -0.61 0.09 0.00 0.00 178.44 178.19 1u15 h GLN 326 N 0.00 0.00 0.00 1.13 4.15 -1.55 -2.27 115.11 116.57 1u15 h GLN 326 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1u15 h GLN 326 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1u15 h GLN 326 CO -0.00 0.00 0.00 0.93 -1.93 0.00 0.00 178.83 177.83 1u15 h GLU 327 N 0.00 0.00 0.13 1.69 4.39 -1.77 -3.27 114.58 115.76 1u15 h GLU 327 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1u15 h GLU 327 Cb 0.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1u15 h GLU 327 CO -0.00 0.00 -0.07 0.38 -1.16 0.00 0.00 179.01 178.16 1u15 h ASP 328 N 0.00 -0.17 -0.57 1.42 2.03 -1.69 -3.27 116.42 114.16 1u15 h ASP 328 Ca 0.00 0.01 0.05 0.00 -0.73 0.00 0.00 57.03 56.36 1u15 h ASP 328 Cb 0.23 0.05 -0.07 0.00 -0.83 0.00 0.00 39.33 38.71 1u15 h ASP 328 CO 0.00 -0.12 -0.34 0.29 -1.03 0.00 0.00 179.24 178.04 1u15 n LYS 329 N -5.18 -0.25 -0.14 4.15 5.02 -1.23 -0.95 118.16 119.58 1u15 n LYS 329 Ca -0.08 1.23 -0.04 0.00 -2.02 0.00 0.00 58.31 57.40 1u15 n LYS 329 Cb 0.10 -1.82 0.04 0.00 -0.02 0.00 0.00 35.03 33.34 1u15 n LYS 329 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1u15 h GLU 330 N 0.00 0.26 -0.31 1.97 4.81 -1.82 -0.71 114.58 118.77 1u15 h GLU 330 Ca 0.09 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1u15 h GLU 330 Cb 0.24 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1u15 h GLU 330 CO -0.54 0.17 0.13 0.00 -0.73 0.00 0.00 179.01 178.04 1u15 h ALA 331 N 1.32 0.37 -0.70 2.92 0.00 -1.32 -0.29 119.26 121.56 1u15 h ALA 331 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1u15 h ALA 331 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1u15 h ALA 331 CO -0.25 -0.26 0.43 0.28 0.00 0.00 0.00 179.25 179.45 1u15 h VAL 332 N 0.28 1.20 -0.46 0.00 2.07 -0.25 -1.95 116.25 117.14 1u15 h VAL 332 Ca 0.14 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1u15 h VAL 332 Cb 0.08 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1u15 h VAL 332 CO -0.12 0.20 0.03 0.40 0.02 0.00 0.00 177.57 178.10 1u15 h ILE 333 N 0.95 1.26 0.09 4.57 2.04 -0.82 -1.32 117.51 124.28 1u15 h ILE 333 Ca 0.25 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1u15 h ILE 333 Cb -0.05 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1u15 h ILE 333 CO -0.05 0.35 -0.04 -0.78 0.00 0.00 0.00 178.15 177.62 1u15 h ASP 334 N 0.64 -0.10 -0.32 1.72 -0.00 -0.85 -1.92 116.42 115.58 1u15 h ASP 334 Ca 0.13 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.03 57.05 1u15 h ASP 334 Cb 0.46 0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.79 1u15 h ASP 334 CO 0.02 0.04 0.19 0.58 -0.00 0.00 0.00 179.24 180.06 1u15 h VAL 335 N -0.24 1.11 -0.05 2.25 2.07 -1.32 0.15 116.25 120.23 1u15 h VAL 335 Ca -0.01 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1u15 h VAL 335 Cb 0.20 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1u15 h VAL 335 CO 0.02 0.12 0.02 0.58 0.02 0.00 0.00 177.57 178.33 1u15 h VAL 336 N 0.48 1.15 0.00 2.57 2.07 -0.96 -1.40 116.25 120.17 1u15 h VAL 336 Ca 0.13 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1u15 h VAL 336 Cb 0.02 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1u15 h VAL 336 CO -0.02 0.13 -0.29 0.44 0.02 0.00 0.00 177.57 177.85 1u15 h ASP 337 N -0.10 0.00 -0.03 0.57 3.32 -0.62 -2.32 116.42 117.24 1u15 h ASP 337 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1u15 h ASP 337 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1u15 h ASP 337 CO -0.00 0.29 -0.01 0.74 -1.72 0.00 0.00 179.24 178.53 1u15 h THR 338 N 0.00 1.34 -0.31 0.35 2.02 -0.45 -2.55 112.91 113.31 1u15 h THR 338 Ca -0.00 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 1u15 h THR 338 Cb 0.53 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1u15 h THR 338 CO 0.04 0.27 0.13 -0.07 0.37 0.00 0.00 175.52 176.26 1u15 h LEU 339 N -0.36 0.43 -0.38 2.58 3.38 -1.13 -0.49 115.31 119.34 1u15 h LEU 339 Ca 0.01 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1u15 h LEU 339 Cb 0.45 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1u15 h LEU 339 CO 0.00 0.47 0.07 0.74 0.09 0.00 0.00 178.44 179.81 1u15 h THR 340 N 0.36 0.80 0.09 0.22 2.02 -1.47 0.23 112.91 115.16 1u15 h THR 340 Ca 0.11 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1u15 h THR 340 Cb 0.17 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1u15 h THR 340 CO -0.01 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.87 1u15 h ALA 341 N 1.29 -0.12 -0.78 6.16 0.00 -1.35 -3.11 119.26 121.34 1u15 h ALA 341 Ca 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1u15 h ALA 341 Cb 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1u15 h ALA 341 CO -0.24 -0.43 0.34 0.28 0.00 0.00 0.00 179.25 179.20 1u15 h VAL 342 N -0.40 1.25 -0.45 0.00 2.07 -0.83 -1.74 116.25 116.16 1u15 h VAL 342 Ca -0.01 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1u15 h VAL 342 Cb 0.34 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1u15 h VAL 342 CO 0.02 0.32 0.18 -0.07 0.02 0.00 0.00 177.57 178.04 1u15 h LEU 343 N 1.12 0.61 -0.73 2.57 3.38 -0.62 -0.76 115.31 120.89 1u15 h LEU 343 Ca 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1u15 h LEU 343 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1u15 h LEU 343 CO -0.03 0.61 0.27 1.56 0.09 0.00 0.00 178.44 180.94 1u15 h GLN 344 N 0.58 1.11 -0.04 1.13 4.20 -1.45 0.40 115.11 121.03 1u15 h GLN 344 Ca 0.15 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1u15 h GLN 344 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1u15 h GLN 344 CO -0.01 0.92 -0.44 0.28 -0.67 0.00 0.00 178.83 178.91 1u15 h VAL 345 N 1.06 1.32 -0.09 -0.54 2.07 -1.11 -2.26 116.25 116.70 1u15 h VAL 345 Ca 0.24 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 1u15 h VAL 345 Cb 0.25 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1u15 h VAL 345 CO -0.02 0.45 -0.09 0.00 0.02 0.00 0.00 177.57 177.93 1u15 h ALA 346 N 1.48 0.13 -0.54 1.67 0.00 -0.34 -2.41 119.26 119.25 1u15 h ALA 346 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1u15 h ALA 346 Cb 0.80 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1u15 h ALA 346 CO 0.06 -0.03 0.05 1.15 0.00 0.00 0.00 179.25 180.48 1u15 h THR 347 N -0.20 0.62 0.00 0.00 2.02 -0.79 -1.89 112.91 112.66 1u15 h THR 347 Ca 0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u15 h THR 347 Cb 0.62 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1u15 h THR 347 CO 0.02 0.03 -0.00 1.23 0.37 0.00 0.00 175.52 177.17 1u15 h GLY 348 N 0.17 -0.01 0.40 2.16 0.00 -1.37 -0.96 103.07 103.46 1u15 h GLY 348 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1u15 h GLY 348 CO -0.41 -0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 173.95 1u15 h VAL 349 N -0.03 0.66 -0.39 4.60 2.07 -0.98 -0.45 116.25 121.74 1u15 h VAL 349 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1u15 h VAL 349 Cb 0.03 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1u15 h VAL 349 CO 0.00 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.97 1u15 h ILE 350 N -0.05 1.22 -0.31 4.57 1.08 -1.29 -0.78 117.51 121.95 1u15 h ILE 350 Ca 0.13 -0.91 -0.17 0.00 -0.39 0.00 0.00 64.86 63.52 1u15 h ILE 350 Cb 0.25 0.94 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1u15 h ILE 350 CO -0.30 0.31 -0.48 -1.28 -0.69 0.00 0.00 178.15 175.72 1u15 h SER 351 N 0.60 0.93 -0.02 1.72 0.87 -0.59 -3.36 113.55 113.70 1u15 h SER 351 Ca 0.12 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1u15 h SER 351 Cb 0.40 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1u15 h SER 351 CO 0.02 1.25 -0.02 0.35 -0.53 0.00 0.00 176.83 177.89 1u15 n THR 352 N -4.02 0.00 -1.28 2.23 -2.24 -0.23 -5.02 114.28 103.72 1u15 n THR 352 Ca -0.03 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.93 1u15 n THR 352 Cb 0.59 1.27 0.10 0.00 -2.10 0.00 0.00 70.33 70.19 1u15 n THR 352 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1u15 s LEU 353 N -1.19 3.17 -0.21 3.22 0.05 -0.30 -4.32 118.68 119.09 1u15 s LEU 353 Ca 0.15 2.15 -0.00 0.00 0.05 0.00 0.00 54.13 56.48 1u15 s LEU 353 Cb 0.11 -4.56 0.02 0.00 -2.05 0.00 0.00 46.19 39.71 1u15 s LEU 353 CO 0.18 -2.31 -0.13 -1.58 -0.55 0.00 0.00 176.35 171.97 1u15 s GLN 354 N -4.30 2.94 0.45 1.48 2.00 0.26 -4.95 119.66 117.52 1u15 s GLN 354 Ca 0.69 -0.89 -0.03 0.00 -2.00 0.00 0.00 55.36 53.13 1u15 s GLN 354 Cb -0.24 -2.78 -0.03 0.00 0.80 0.00 0.00 33.01 30.77 1u15 s GLN 354 CO 0.50 -0.29 0.72 0.96 -0.50 0.00 0.00 175.29 176.67 1u15 s ILE 355 N 1.31 4.81 -0.55 -2.34 -4.36 -1.26 0.16 121.20 118.97 1u15 s ILE 355 Ca 0.02 -0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.35 1u15 s ILE 355 Cb -0.15 -3.81 0.14 0.00 1.25 0.00 0.00 42.46 39.90 1u15 s ILE 355 CO -0.08 -0.70 0.34 -0.55 0.24 0.00 0.00 174.94 174.18 1u15 s SER 356 N -4.11 5.03 0.46 4.36 0.15 -0.76 -4.92 113.70 113.91 1u15 s SER 356 Ca 0.46 -2.70 0.17 0.00 0.70 0.00 0.00 55.95 54.58 1u15 s SER 356 Cb -0.10 -1.79 1.13 0.00 -1.71 0.00 0.00 66.02 63.55 1u15 s SER 356 CO 0.42 -0.37 1.98 0.11 1.20 0.00 0.00 173.24 176.58 1u15 h LYS 357 N 7.14 0.28 -0.28 5.44 1.57 -1.95 -1.25 116.57 127.52 1u15 h LYS 357 Ca -0.05 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1u15 h LYS 357 Cb 0.96 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1u15 h LYS 357 CO 0.69 0.19 0.05 1.49 -0.57 0.00 0.00 179.45 181.30 1u15 h GLU 358 N 0.29 0.46 -0.31 3.15 4.81 -1.97 -1.54 114.58 119.47 1u15 h GLU 358 Ca 0.27 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1u15 h GLU 358 Cb 0.68 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1u15 h GLU 358 CO -0.06 0.57 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.75 1u15 h ASN 359 N 0.28 0.66 -0.81 1.04 2.35 -1.56 -1.24 115.58 116.30 1u15 h ASN 359 Ca 0.09 -0.40 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 1u15 h ASN 359 Cb 0.33 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1u15 h ASN 359 CO 0.00 0.91 0.51 0.24 -1.65 0.00 0.00 177.43 177.44 1u15 h MET 360 N 0.41 0.93 -0.80 0.81 2.86 -1.34 -0.81 114.93 116.98 1u15 h MET 360 Ca 0.07 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1u15 h MET 360 Cb 0.65 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1u15 h MET 360 CO 0.04 0.61 0.41 1.49 1.06 0.00 0.00 176.91 180.53 1u15 h GLU 361 N 0.95 1.13 0.00 1.72 4.22 -1.08 -2.65 114.58 118.87 1u15 h GLU 361 Ca 0.34 -0.14 -0.10 0.00 0.08 0.00 0.00 59.36 59.54 1u15 h GLU 361 Cb 0.09 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1u15 h GLU 361 CO -0.14 0.85 -0.47 -0.22 -2.18 0.00 0.00 179.01 176.85 1u15 h LYS 362 N 1.13 0.00 0.00 1.92 3.64 -0.03 -2.95 116.57 120.28 1u15 h LYS 362 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1u15 h LYS 362 Cb 0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1u15 h LYS 362 CO -0.04 0.47 -0.06 0.00 -2.27 0.00 0.00 179.45 177.55 1u15 h ALA 363 N 1.53 1.16 -2.18 5.00 0.00 -0.82 -3.41 119.26 120.54 1u15 h ALA 363 Ca -0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 1u15 h ALA 363 Cb 0.97 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1u15 h ALA 363 CO 0.06 0.07 0.95 -0.51 0.00 0.00 0.00 179.25 179.82 1u15 s LEU 364 N -6.76 4.22 0.29 0.00 1.43 -1.12 -4.79 118.68 111.95 1u15 s LEU 364 Ca -0.03 1.84 0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1u15 s LEU 364 Cb 0.12 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 1u15 s LEU 364 CO 0.53 -0.80 -0.16 0.42 0.23 0.00 0.00 176.35 176.56 1u15 s THR 365 N 3.63 2.30 0.26 5.49 -4.23 -1.26 -5.04 115.64 116.79 1u15 s THR 365 Ca 0.60 -2.32 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1u15 s THR 365 Cb -0.25 -2.39 0.25 0.00 1.34 0.00 0.00 72.50 71.46 1u15 s THR 365 CO 0.19 -0.35 1.93 -0.65 -0.54 0.00 0.00 174.62 175.20 1u15 h PRO 366 N 2.22 1.25 -1.00 3.99 0.11 -1.98 -2.42 132.00 134.17 1u15 h PRO 366 Ca -0.40 -0.08 0.20 0.00 0.11 0.00 0.00 66.00 65.83 1u15 h PRO 366 Cb 1.25 -0.28 -0.10 0.00 0.11 0.00 0.00 31.00 31.98 1u15 h PRO 366 CO 0.64 0.84 0.62 0.93 -0.21 0.00 0.00 178.00 180.81 1u15 h GLU 367 N 1.28 0.65 0.00 1.05 3.07 -2.01 -1.09 114.58 117.53 1u15 h GLU 367 Ca 0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1u15 h GLU 367 Cb -0.13 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.64 1u15 h GLU 367 CO -0.07 0.43 0.00 -1.33 -1.40 0.00 0.00 179.01 176.64 1u15 n MET 368 N -4.73 0.37 -0.20 2.33 2.81 -0.91 -2.43 117.12 114.36 1u15 n MET 368 Ca 0.23 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.18 1u15 n MET 368 Cb 0.64 -1.39 0.16 0.00 -0.71 0.00 0.00 33.22 31.91 1u15 n MET 368 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u15 n LEU 369 N -0.89 2.99 -0.17 4.03 4.77 -0.41 -4.45 117.00 122.86 1u15 n LEU 369 Ca 0.07 -2.12 -0.05 0.00 -0.03 0.00 0.00 56.01 53.88 1u15 n LEU 369 Cb 0.03 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1u15 n LEU 369 CO 0.05 0.71 0.94 0.00 -1.33 0.00 0.00 177.39 177.76 1u15 h ALA 370 N 1.89 1.08 -0.07 -1.18 0.00 -1.64 0.22 119.26 119.56 1u15 h ALA 370 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u15 h ALA 370 Cb 0.80 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1u15 h ALA 370 CO 0.03 0.60 0.03 1.15 0.00 0.00 0.00 179.25 181.06 1u15 h THR 371 N 0.89 1.13 -0.88 0.00 2.02 -1.83 -1.95 112.91 112.30 1u15 h THR 371 Ca 0.19 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1u15 h THR 371 Cb 0.37 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1u15 h THR 371 CO 0.01 0.11 0.58 0.44 0.37 0.00 0.00 175.52 177.02 1u15 h ASP 372 N -0.04 0.98 -0.10 4.18 3.45 -1.70 -1.61 116.42 121.59 1u15 h ASP 372 Ca 0.02 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 1u15 h ASP 372 Cb 0.15 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1u15 h ASP 372 CO -0.00 0.69 -0.06 0.25 -1.57 0.00 0.00 179.24 178.55 1u15 h LEU 373 N 1.15 0.33 -0.36 1.55 5.85 -0.33 -1.79 115.31 121.72 1u15 h LEU 373 Ca 0.34 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 1u15 h LEU 373 Cb -0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1u15 h LEU 373 CO -0.09 0.44 -0.16 0.00 -0.34 0.00 0.00 178.44 178.29 1u15 h ALA 374 N 1.60 0.51 -0.66 1.25 0.00 -0.53 -2.93 119.26 118.50 1u15 h ALA 374 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1u15 h ALA 374 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1u15 h ALA 374 CO 0.01 0.43 0.44 -0.07 0.00 0.00 0.00 179.25 180.06 1u15 h LEU 375 N 0.54 0.76 -0.76 0.00 3.38 -0.75 -2.07 115.31 116.40 1u15 h LEU 375 Ca 0.08 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1u15 h LEU 375 Cb 0.70 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1u15 h LEU 375 CO 0.05 0.55 0.39 0.22 0.09 0.00 0.00 178.44 179.74 1u15 h TYR 376 N 0.89 0.71 -0.24 1.13 3.20 -1.16 -0.08 116.97 121.42 1u15 h TYR 376 Ca 0.24 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 1u15 h TYR 376 Cb -0.10 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1u15 h TYR 376 CO -0.00 0.24 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.58 1u15 h LEU 377 N 0.65 0.52 -1.14 2.82 3.38 -1.35 -3.06 115.31 117.12 1u15 h LEU 377 Ca 0.38 -0.41 0.16 0.00 0.09 0.00 0.00 57.88 58.10 1u15 h LEU 377 Cb 0.42 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1u15 h LEU 377 CO -0.28 0.81 0.61 0.58 0.09 0.00 0.00 178.44 180.25 1u15 h VAL 378 N 0.22 0.80 -0.01 1.22 2.07 -0.74 0.19 116.25 120.00 1u15 h VAL 378 Ca 0.05 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1u15 h VAL 378 Cb 0.62 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1u15 h VAL 378 CO 0.04 0.14 -0.27 0.03 0.02 0.00 0.00 177.57 177.53 1u15 h ARG 379 N 0.78 0.01 -0.76 1.57 2.47 -0.96 -2.47 114.38 115.02 1u15 h ARG 379 Ca 0.51 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1u15 h ARG 379 Cb 0.76 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1u15 h ARG 379 CO -0.28 0.28 0.00 1.63 0.56 0.00 0.00 179.97 182.16 1u15 n LYS 380 N -4.22 2.66 -0.46 0.04 5.02 0.62 -4.87 118.16 116.95 1u15 n LYS 380 Ca -0.02 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 1u15 n LYS 380 Cb 0.32 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1u15 n LYS 380 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u15 n GLY 381 N 0.37 0.74 3.76 0.72 0.00 -0.93 -5.06 105.19 104.79 1u15 n GLY 381 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1u15 n GLY 381 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1u15 s MET 382 N -0.54 4.56 0.47 1.61 0.00 -1.04 -5.00 119.30 119.35 1u15 s MET 382 Ca 0.00 1.16 -0.25 0.00 0.00 0.00 0.00 55.69 56.60 1u15 s MET 382 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 34.83 31.43 1u15 s MET 382 CO 0.00 0.39 1.40 -2.14 0.00 0.00 0.00 175.02 174.68 1u15 s PRO 383 N -0.50 3.60 0.09 4.11 0.02 -1.26 -4.08 135.00 136.97 1u15 s PRO 383 Ca 0.38 2.36 -0.18 0.00 0.02 0.00 0.00 61.00 63.58 1u15 s PRO 383 Cb -0.22 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1u15 s PRO 383 CO 0.25 -0.87 1.29 0.34 -0.33 0.00 0.00 177.00 177.68 1u15 n PHE 384 N -0.34 -0.26 -0.05 6.54 7.35 -1.26 -1.15 117.46 128.30 1u15 n PHE 384 Ca 0.06 0.74 0.09 0.00 -0.76 0.00 0.00 57.45 57.58 1u15 n PHE 384 Cb 0.43 -0.54 0.48 0.00 0.35 0.00 0.00 39.48 40.19 1u15 n PHE 384 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u15 h ARG 385 N 0.00 0.43 0.10 -4.13 2.47 -2.00 -1.82 114.38 109.44 1u15 h ARG 385 Ca 0.09 -0.03 -0.28 0.00 -1.26 0.00 0.00 59.98 58.51 1u15 h ARG 385 Cb 0.24 -0.10 0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1u15 h ARG 385 CO -0.56 0.29 -1.19 1.96 0.56 0.00 0.00 179.97 181.03 1u15 h GLN 386 N 0.44 0.50 -0.44 0.04 4.20 -1.63 -2.41 115.11 115.81 1u15 h GLN 386 Ca 0.23 -0.67 -0.05 0.00 0.06 0.00 0.00 58.65 58.22 1u15 h GLN 386 Cb 0.33 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1u15 h GLN 386 CO -0.06 1.29 0.08 0.00 -0.67 0.00 0.00 178.83 179.47 1u15 h ALA 387 N 0.45 0.58 0.16 3.87 0.00 -0.89 0.39 119.26 123.81 1u15 h ALA 387 Ca -0.16 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1u15 h ALA 387 Cb 1.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1u15 h ALA 387 CO 0.22 0.29 -0.26 1.25 0.00 0.00 0.00 179.25 180.74 1u15 h HIS 388 N 0.58 -0.70 -0.32 0.00 -0.00 -1.39 0.22 115.15 113.54 1u15 h HIS 388 Ca 0.13 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.57 1u15 h HIS 388 Cb 0.36 0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 28.01 1u15 h HIS 388 CO 0.02 -0.37 -0.01 1.15 -0.00 0.00 0.00 177.93 178.73 1u15 h THR 389 N -0.49 0.76 -0.26 6.26 2.02 -1.12 -0.19 112.91 119.88 1u15 h THR 389 Ca 0.02 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1u15 h THR 389 Cb 0.50 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1u15 h THR 389 CO -0.13 0.02 -0.23 0.00 0.37 0.00 0.00 175.52 175.55 1u15 h ALA 390 N 1.28 -0.10 -0.38 6.16 0.00 0.76 0.27 119.26 127.25 1u15 h ALA 390 Ca 0.16 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1u15 h ALA 390 Cb 0.21 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1u15 h ALA 390 CO -0.27 -0.65 0.25 1.03 0.00 0.00 0.00 179.25 179.61 1u15 h SER 391 N -0.23 0.39 -0.80 0.00 0.87 -0.11 -1.55 113.55 112.13 1u15 h SER 391 Ca 0.14 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1u15 h SER 391 Cb 0.45 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1u15 h SER 391 CO -0.40 0.28 0.48 1.23 -0.53 0.00 0.00 176.83 177.89 1u15 h GLY 392 N 0.46 1.20 0.59 5.77 0.00 0.13 -0.95 103.07 110.28 1u15 h GLY 392 Ca 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1u15 h GLY 392 CO -0.03 0.22 -0.01 0.50 0.00 0.00 0.00 176.54 177.22 1u15 h LYS 393 N 0.87 0.03 -0.84 4.80 1.57 -0.28 -2.04 116.57 120.68 1u15 h LYS 393 Ca 0.36 -0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.30 1u15 h LYS 393 Cb 0.20 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.40 1u15 h LYS 393 CO -0.18 0.45 0.36 0.00 -0.57 0.00 0.00 179.45 179.50 1u15 h ALA 394 N 0.58 1.26 -0.68 3.86 0.00 -1.03 1.57 119.26 124.83 1u15 h ALA 394 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1u15 h ALA 394 Cb 0.44 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1u15 h ALA 394 CO 0.00 -0.26 0.17 0.28 0.00 0.00 0.00 179.25 179.45 1u15 h VAL 395 N 0.44 1.26 -0.04 0.00 2.07 -1.10 -1.61 116.25 117.27 1u15 h VAL 395 Ca 0.49 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1u15 h VAL 395 Cb 0.83 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1u15 h VAL 395 CO -0.46 0.36 -0.18 -0.74 0.02 0.00 0.00 177.57 176.57 1u15 h HIS 396 N 1.02 0.27 -0.36 1.57 6.17 0.23 -2.84 115.15 121.20 1u15 h HIS 396 Ca 0.21 -0.11 0.11 0.00 0.71 0.00 0.00 60.37 61.29 1u15 h HIS 396 Cb 0.36 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 1u15 h HIS 396 CO 0.03 0.81 0.34 1.25 0.71 0.00 0.00 177.93 181.06 1u15 h LEU 397 N -0.35 0.00 -0.13 0.26 5.85 0.21 0.12 115.31 121.28 1u15 h LEU 397 Ca -0.01 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.47 1u15 h LEU 397 Cb 0.83 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.86 1u15 h LEU 397 CO 0.04 0.00 -0.97 0.00 -0.34 0.00 0.00 178.44 177.17 1u15 h ALA 398 N 1.67 0.30 0.12 1.25 0.00 -1.17 -2.48 119.26 118.95 1u15 h ALA 398 Ca 0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1u15 h ALA 398 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1u15 h ALA 398 CO -0.00 0.78 -0.06 0.93 0.00 0.00 0.00 179.25 180.90 1u15 h GLU 399 N 0.28 -0.16 0.12 0.00 5.08 -0.55 -0.39 114.58 118.97 1u15 h GLU 399 Ca -0.09 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1u15 h GLU 399 Cb 1.61 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.86 1u15 h GLU 399 CO 0.17 -0.04 -0.43 1.15 -1.00 0.00 0.00 179.01 178.87 1u15 h THR 400 N -0.23 0.00 0.00 1.13 2.02 -1.43 0.37 112.91 114.77 1u15 h THR 400 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1u15 h THR 400 Cb 0.19 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1u15 h THR 400 CO 0.03 0.00 0.04 0.29 0.37 0.00 0.00 175.52 176.25 1u15 n LYS 401 N -4.88 0.00 -3.50 6.66 4.76 -0.93 -4.81 118.16 115.46 1u15 n LYS 401 Ca -0.07 0.36 -0.19 0.00 -2.87 0.00 0.00 58.31 55.55 1u15 n LYS 401 Cb 0.34 -1.54 0.08 0.00 -1.84 0.00 0.00 35.03 32.06 1u15 n LYS 401 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u15 n GLY 402 N -1.35 -0.38 3.19 0.72 0.00 0.13 -5.02 105.19 102.48 1u15 n GLY 402 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1u15 n GLY 402 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u15 s ILE 403 N -3.39 0.13 0.57 -0.61 -5.25 -0.29 -5.03 121.20 107.33 1u15 s ILE 403 Ca 0.10 -1.11 -0.19 0.00 -0.99 0.00 0.00 60.65 58.46 1u15 s ILE 403 Cb -0.04 -1.21 -0.04 0.00 2.95 0.00 0.00 42.46 44.11 1u15 s ILE 403 CO 0.74 -0.61 1.19 0.00 -1.79 0.00 0.00 174.94 174.47 1u15 s ALA 404 N -3.47 2.62 0.41 2.27 0.00 -1.26 -4.41 121.76 117.93 1u15 s ALA 404 Ca 0.02 0.97 0.15 0.00 0.00 0.00 0.00 51.96 53.10 1u15 s ALA 404 Cb 0.03 -3.43 1.02 0.00 0.00 0.00 0.00 23.12 20.74 1u15 s ALA 404 CO -0.09 -1.04 1.91 0.82 0.00 0.00 0.00 175.76 177.36 1u15 h ILE 405 N 1.05 0.80 0.00 0.00 1.08 -1.92 -1.68 117.51 116.84 1u15 h ILE 405 Ca -0.50 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1u15 h ILE 405 Cb 1.29 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1u15 h ILE 405 CO 0.56 0.08 0.00 -0.46 -0.69 0.00 0.00 178.15 177.64 1u15 n ASN 406 N -4.49 0.00 -0.99 1.72 6.94 -1.26 -3.13 115.26 114.04 1u15 n ASN 406 Ca 0.15 0.28 0.08 0.00 -0.02 0.00 0.00 54.58 55.07 1u15 n ASN 406 Cb 0.53 -0.42 0.24 0.00 -2.36 0.00 0.00 39.78 37.77 1u15 n ASN 406 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1u15 n ASN 407 N -1.42 3.52 -4.31 0.53 5.03 -0.63 -4.99 115.26 113.00 1u15 n ASN 407 Ca 0.08 -2.11 -0.29 0.00 0.87 0.00 0.00 54.58 53.14 1u15 n ASN 407 Cb 0.26 -0.37 0.23 0.00 -1.02 0.00 0.00 39.78 38.88 1u15 n ASN 407 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1u15 s LEU 408 N -1.19 0.74 0.00 3.41 1.43 -1.18 -4.97 118.68 116.91 1u15 s LEU 408 Ca 0.36 1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1u15 s LEU 408 Cb 0.20 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1u15 s LEU 408 CO 0.22 -4.03 0.19 -0.89 0.23 0.00 0.00 176.35 172.07 1u15 s THR 409 N -2.69 5.42 0.47 5.49 2.01 -1.26 -4.95 115.64 120.12 1u15 s THR 409 Ca 0.68 -0.17 0.14 0.00 0.31 0.00 0.00 61.69 62.65 1u15 s THR 409 Cb -0.19 -3.55 0.29 0.00 0.01 0.00 0.00 72.50 69.06 1u15 s THR 409 CO 0.60 0.30 2.08 0.25 -0.69 0.00 0.00 174.62 177.16 1u15 h LEU 410 N 3.72 0.22 -0.53 4.42 5.85 -1.98 0.57 115.31 127.56 1u15 h LEU 410 Ca -0.48 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.09 1u15 h LEU 410 Cb 1.18 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1u15 h LEU 410 CO 0.70 0.15 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.46 1u15 h GLU 411 N 0.25 0.73 0.64 1.25 4.81 -1.98 -1.00 114.58 119.28 1u15 h GLU 411 Ca 0.12 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1u15 h GLU 411 Cb 0.17 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.57 1u15 h GLU 411 CO -0.02 1.01 -0.31 -0.44 -0.73 0.00 0.00 179.01 178.51 1u15 h ASP 412 N 0.60 -0.73 -0.59 1.04 3.32 -0.91 -2.98 116.42 116.17 1u15 h ASP 412 Ca 0.05 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.20 1u15 h ASP 412 Cb 0.96 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.59 1u15 h ASP 412 CO 0.09 -0.38 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.12 1u15 h LEU 413 N -1.09 -0.34 -2.30 1.55 3.38 -0.03 0.53 115.31 117.00 1u15 h LEU 413 Ca -0.09 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1u15 h LEU 413 Cb 0.70 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1u15 h LEU 413 CO 0.14 -0.13 0.18 0.11 0.09 0.00 0.00 178.44 178.83 1u15 h LYS 414 N 0.08 0.00 0.00 1.13 1.57 -1.16 0.78 116.57 118.97 1u15 h LYS 414 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1u15 h LYS 414 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1u15 h LYS 414 CO -0.53 0.00 -0.05 0.66 -0.57 0.00 0.00 179.45 178.95 1u15 h SER 415 N 0.00 0.00 0.01 0.86 4.64 -0.73 -3.04 113.55 115.30 1u15 h SER 415 Ca 0.06 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.18 1u15 h SER 415 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1u15 h SER 415 CO -0.00 0.05 -1.11 0.40 -0.87 0.00 0.00 176.83 175.30 1u15 h ILE 416 N 0.00 1.03 -2.35 0.95 2.04 0.54 -3.48 117.51 116.24 1u15 h ILE 416 Ca -0.00 -2.21 -0.05 0.00 1.00 0.00 0.00 64.86 63.59 1u15 h ILE 416 Cb 0.48 2.41 -0.24 0.00 -0.74 0.00 0.00 36.82 38.73 1u15 h ILE 416 CO 0.01 0.38 -0.16 -0.55 0.00 0.00 0.00 178.15 177.83 1u15 s SER 417 N -6.78 -0.71 0.51 1.72 0.15 -0.57 -5.02 113.70 103.01 1u15 s SER 417 Ca -0.27 1.18 0.24 0.00 0.70 0.00 0.00 55.95 57.80 1u15 s SER 417 Cb 0.05 1.10 1.34 0.00 -1.71 0.00 0.00 66.02 66.80 1u15 s SER 417 CO 0.62 -0.22 1.98 -0.65 1.20 0.00 0.00 173.24 176.17 1u15 h PRO 418 N 7.14 0.07 0.00 5.44 0.11 -1.87 -2.24 132.00 140.65 1u15 h PRO 418 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1u15 h PRO 418 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u15 h PRO 418 CO 0.23 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.34 1u15 n LEU 419 N -4.39 0.00 -4.73 2.35 4.77 -1.26 -4.65 117.00 109.10 1u15 n LEU 419 Ca 0.11 0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1u15 n LEU 419 Cb 0.61 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1u15 n LEU 419 CO 0.36 -0.34 0.60 -0.36 -1.33 0.00 0.00 177.39 176.32 1u15 s PHE 420 N -2.75 3.74 0.23 -1.77 0.40 -0.84 -5.00 117.98 111.99 1u15 s PHE 420 Ca 0.02 1.65 0.01 0.00 -0.60 0.00 0.00 56.93 58.01 1u15 s PHE 420 Cb 0.02 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.50 1u15 s PHE 420 CO 0.04 0.16 0.08 -1.12 0.70 0.00 0.00 175.22 175.08 1u15 s SER 421 N 0.29 0.98 0.39 1.36 0.01 -1.26 -4.83 113.70 110.63 1u15 s SER 421 Ca 0.45 -1.34 0.23 0.00 1.31 0.00 0.00 55.95 56.61 1u15 s SER 421 Cb -0.22 0.20 1.33 0.00 0.21 0.00 0.00 66.02 67.54 1u15 s SER 421 CO 0.27 -0.72 1.60 0.77 0.41 0.00 0.00 173.24 175.57 1u15 h SER 422 N 2.51 0.33 0.04 2.44 4.64 -1.98 0.87 113.55 122.39 1u15 h SER 422 Ca -0.37 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1u15 h SER 422 Cb 1.24 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1u15 h SER 422 CO 0.60 -0.31 0.00 -0.90 -0.87 0.00 0.00 176.83 175.34 1u15 n ASP 423 N -5.05 0.00 0.22 4.97 5.75 -1.26 -2.58 116.55 118.60 1u15 n ASP 423 Ca 0.37 -0.13 0.10 0.00 -0.01 0.00 0.00 54.79 55.12 1u15 n ASP 423 Cb 1.29 -0.08 0.44 0.00 -1.03 0.00 0.00 41.12 41.75 1u15 n ASP 423 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1u15 h VAL 424 N 0.00 0.49 -0.17 2.12 3.04 0.38 -3.15 116.25 118.97 1u15 h VAL 424 Ca 0.00 -1.12 0.05 0.00 -1.01 0.00 0.00 66.70 64.62 1u15 h VAL 424 Cb 0.02 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 1u15 h VAL 424 CO 0.00 0.20 0.13 0.77 -1.01 0.00 0.00 177.57 177.67 1u15 h SER 425 N 0.00 0.00 0.71 3.17 4.64 -1.70 -1.66 113.55 118.71 1u15 h SER 425 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1u15 h SER 425 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1u15 h SER 425 CO 0.03 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.49 1u15 h GLN 426 N 0.00 0.00 -0.51 4.77 4.20 -1.82 -2.66 115.11 119.09 1u15 h GLN 426 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1u15 h GLN 426 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1u15 h GLN 426 CO -0.00 0.06 0.27 0.28 -0.67 0.00 0.00 178.83 178.77 1u15 h VAL 427 N 0.00 1.16 -0.75 -0.54 2.07 -1.52 -3.18 116.25 113.49 1u15 h VAL 427 Ca -0.00 -0.42 -0.72 0.00 0.82 0.00 0.00 66.70 66.38 1u15 h VAL 427 Cb 0.43 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1u15 h VAL 427 CO 0.01 0.18 2.90 0.49 0.02 0.00 0.00 177.57 181.16 1u15 n PHE 428 N -4.40 2.59 -3.73 1.57 3.01 -1.00 -4.74 117.46 110.76 1u15 n PHE 428 Ca 0.04 -2.92 -0.12 0.00 1.01 0.00 0.00 57.45 55.46 1u15 n PHE 428 Cb 0.10 -2.08 -0.13 0.00 -0.01 0.00 0.00 39.48 37.36 1u15 n PHE 428 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1u15 s ASN 429 N 1.09 -0.28 0.14 4.37 3.84 -1.20 -5.07 114.94 117.82 1u15 s ASN 429 Ca 0.58 0.55 -0.06 0.00 0.21 0.00 0.00 52.86 54.14 1u15 s ASN 429 Cb 0.18 0.44 -0.06 0.00 -0.55 0.00 0.00 41.25 41.26 1u15 s ASN 429 CO -0.08 -0.16 1.35 -0.26 -2.79 0.00 0.00 177.10 175.16 1u15 h PHE 430 N 7.08 0.72 -0.67 0.43 0.05 -1.91 -2.63 116.94 120.01 1u15 h PHE 430 Ca -0.39 -0.34 0.03 0.00 3.82 0.00 0.00 57.97 61.08 1u15 h PHE 430 Cb 1.16 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 38.97 1u15 h PHE 430 CO 0.35 1.14 0.42 0.28 -0.18 0.00 0.00 178.31 180.32 1u15 h VAL 431 N 0.33 1.08 -0.41 -0.55 2.07 -1.97 0.29 116.25 117.09 1u15 h VAL 431 Ca -0.06 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1u15 h VAL 431 Cb 1.44 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1u15 h VAL 431 CO 0.15 0.15 0.22 0.78 0.02 0.00 0.00 177.57 178.89 1u15 h ASN 432 N 0.81 0.48 -0.08 0.57 4.21 -1.86 -0.94 115.58 118.77 1u15 h ASN 432 Ca 0.27 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.75 1u15 h ASN 432 Cb 0.04 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1u15 h ASN 432 CO -0.11 0.39 0.04 -1.28 -1.29 0.00 0.00 177.43 175.18 1u15 h SER 433 N 0.56 0.11 -0.33 5.81 0.87 -0.58 -3.10 113.55 116.88 1u15 h SER 433 Ca 0.15 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1u15 h SER 433 Cb 0.01 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1u15 h SER 433 CO -0.02 0.18 -0.27 -0.37 -0.53 0.00 0.00 176.83 175.82 1u15 h VAL 434 N 0.03 1.29 0.00 2.23 -1.51 -0.95 -3.01 116.25 114.33 1u15 h VAL 434 Ca 0.03 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 1u15 h VAL 434 Cb 0.10 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1u15 h VAL 434 CO -0.00 0.46 0.00 -0.62 -1.23 0.00 0.00 177.57 176.18 1u15 n GLU 435 N -4.24 0.00 0.22 5.19 -0.58 -0.39 -0.70 120.64 120.14 1u15 n GLU 435 Ca -0.03 0.39 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 1u15 n GLU 435 Cb 0.47 -1.50 0.51 0.00 -0.57 0.00 0.00 31.44 30.34 1u15 n GLU 435 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1u15 h GLN 436 N 0.00 0.00 -2.76 3.49 4.20 -1.45 -3.34 115.11 115.25 1u15 h GLN 436 Ca 0.00 0.00 -0.78 0.00 0.06 0.00 0.00 58.65 57.93 1u15 h GLN 436 Cb 0.01 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.58 1u15 h GLN 436 CO 0.00 0.25 1.58 0.66 -0.67 0.00 0.00 178.83 180.65 1u15 n TYR 437 N -3.66 2.62 0.10 2.96 4.02 0.12 -4.64 117.16 118.68 1u15 n TYR 437 Ca -0.01 -2.68 -0.03 0.00 -0.01 0.00 0.00 57.90 55.17 1u15 n TYR 437 Cb 0.37 -1.54 -0.03 0.00 -0.02 0.00 0.00 39.34 38.11 1u15 n TYR 437 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1u15 h THR 438 N 2.91 1.35 -2.41 -0.72 1.35 -1.83 -1.13 112.91 112.42 1u15 h THR 438 Ca 0.48 -2.82 -0.60 0.00 -0.55 0.00 0.00 66.41 62.92 1u15 h THR 438 Cb 0.44 2.61 0.07 0.00 -1.73 0.00 0.00 68.15 69.55 1u15 h THR 438 CO 1.39 0.75 0.60 0.00 -0.25 0.00 0.00 175.52 178.01 1u15 n ALA 439 N -2.30 0.77 -1.01 6.62 0.00 -1.26 -4.65 120.51 118.67 1u15 n ALA 439 Ca 0.01 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.50 1u15 n ALA 439 Cb 0.83 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1u15 n ALA 439 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u15 n LEU 440 N 2.45 -0.28 0.00 0.00 7.99 -1.26 -0.70 117.00 125.21 1u15 n LEU 440 Ca 0.14 0.79 0.00 0.00 -0.01 0.00 0.00 56.01 56.93 1u15 n LEU 440 Cb 0.29 -0.64 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 1u15 n LEU 440 CO 0.63 -1.56 0.00 0.61 -1.51 0.00 0.00 177.39 175.56 1u15 n GLY 441 N 1.15 2.76 0.34 -0.72 0.00 -1.26 -5.03 105.19 102.43 1u15 n GLY 441 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 1u15 n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u15 n GLY 442 N -2.00 -2.78 1.16 -0.02 0.00 0.13 -4.97 105.19 96.71 1u15 n GLY 442 Ca 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.74 1u15 n GLY 442 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1u15 n THR 443 N -2.87 0.50 -1.15 2.61 5.66 -1.20 -4.48 114.28 113.36 1u15 n THR 443 Ca 0.01 -0.75 -0.33 0.00 -3.05 0.00 0.00 64.05 59.93 1u15 n THR 443 Cb 0.06 0.99 0.12 0.00 -1.55 0.00 0.00 70.33 69.95 1u15 n THR 443 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u15 s ALA 444 N -1.49 1.90 0.29 1.79 0.00 -0.43 -4.54 121.76 119.28 1u15 s ALA 444 Ca 0.39 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1u15 s ALA 444 Cb 0.23 -3.45 0.44 0.00 0.00 0.00 0.00 23.12 20.34 1u15 s ALA 444 CO 0.32 -2.19 1.94 -0.22 0.00 0.00 0.00 175.76 175.60 1u15 h LYS 445 N -0.94 1.10 -0.46 0.00 3.64 -1.87 -1.06 116.57 116.98 1u15 h LYS 445 Ca -0.46 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 58.74 1u15 h LYS 445 Cb 1.28 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1u15 h LYS 445 CO 0.47 0.73 -0.19 0.66 -2.27 0.00 0.00 179.45 178.84 1u15 h SER 446 N 1.13 0.94 0.20 4.20 4.64 -1.93 -1.70 113.55 121.03 1u15 h SER 446 Ca 0.35 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1u15 h SER 446 Cb -0.01 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1u15 h SER 446 CO -0.10 1.10 -0.25 -1.28 -0.87 0.00 0.00 176.83 175.44 1u15 h SER 447 N 0.80 0.08 -0.09 4.97 0.87 -1.65 0.21 113.55 118.75 1u15 h SER 447 Ca 0.11 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 1u15 h SER 447 Cb 0.75 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1u15 h SER 447 CO 0.06 0.34 -0.70 0.58 -0.53 0.00 0.00 176.83 176.57 1u15 h VAL 448 N 0.08 1.30 -0.25 2.23 2.07 -0.80 -2.09 116.25 118.78 1u15 h VAL 448 Ca 0.01 -1.94 -0.13 0.00 0.82 0.00 0.00 66.70 65.46 1u15 h VAL 448 Cb 0.48 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1u15 h VAL 448 CO 0.03 0.61 -0.39 0.71 0.02 0.00 0.00 177.57 178.55 1u15 h THR 449 N 0.51 1.30 -0.75 2.57 1.35 -0.79 -2.10 112.91 114.99 1u15 h THR 449 Ca -0.03 -1.55 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1u15 h THR 449 Cb 1.31 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 69.22 1u15 h THR 449 CO 0.14 0.49 0.41 0.74 -0.25 0.00 0.00 175.52 177.05 1u15 h THR 450 N 0.49 1.23 -0.50 6.82 2.02 -0.50 -2.40 112.91 120.07 1u15 h THR 450 Ca 0.04 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 1u15 h THR 450 Cb 0.90 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1u15 h THR 450 CO 0.08 0.25 0.04 1.56 0.37 0.00 0.00 175.52 177.82 1u15 h GLN 451 N 1.03 0.86 -0.02 6.66 4.20 -1.16 -1.27 115.11 125.41 1u15 h GLN 451 Ca 0.26 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1u15 h GLN 451 Cb 0.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1u15 h GLN 451 CO -0.04 0.88 -0.16 0.82 -0.67 0.00 0.00 178.83 179.65 1u15 h ILE 452 N 0.73 1.13 -0.00 2.54 2.04 -1.17 -0.67 117.51 122.10 1u15 h ILE 452 Ca 0.15 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1u15 h ILE 452 Cb 0.47 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1u15 h ILE 452 CO 0.02 0.17 -0.00 -0.33 0.00 0.00 0.00 178.15 178.01 1u15 h GLU 453 N 0.02 0.00 -0.76 2.37 5.08 -1.10 -2.91 114.58 117.29 1u15 h GLU 453 Ca 0.00 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1u15 h GLU 453 Cb 0.30 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1u15 h GLU 453 CO 0.02 0.68 0.42 1.96 -1.00 0.00 0.00 179.01 181.10 1u15 h GLN 454 N -0.68 0.71 -0.20 2.33 4.20 -0.79 -1.34 115.11 119.35 1u15 h GLN 454 Ca -0.00 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1u15 h GLN 454 Cb 0.69 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1u15 h GLN 454 CO 0.00 0.47 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.31 1u15 h LEU 455 N 0.73 0.36 -0.21 1.46 4.07 -1.22 -0.63 115.31 119.88 1u15 h LEU 455 Ca 0.36 -0.11 -0.22 0.00 0.08 0.00 0.00 57.88 57.99 1u15 h LEU 455 Cb 0.30 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 41.95 1u15 h LEU 455 CO -0.23 0.62 -0.82 0.03 -1.08 0.00 0.00 178.44 176.96 1u15 h ARG 456 N 0.33 0.62 -0.41 1.13 3.08 -1.17 -1.10 114.38 116.85 1u15 h ARG 456 Ca 0.05 -0.55 -0.08 0.00 0.07 0.00 0.00 59.98 59.48 1u15 h ARG 456 Cb 0.62 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1u15 h ARG 456 CO 0.04 1.16 -0.06 1.49 -1.07 0.00 0.00 179.97 181.54 1u15 h GLU 457 N 0.41 0.70 -0.31 0.04 4.57 -1.07 -1.96 114.58 116.95 1u15 h GLU 457 Ca -0.06 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1u15 h GLU 457 Cb 1.44 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 1u15 h GLU 457 CO 0.16 0.76 0.09 -0.07 -1.18 0.00 0.00 179.01 178.76 1u15 h LEU 458 N 0.65 0.47 -1.31 1.64 3.38 -0.91 -2.91 115.31 116.32 1u15 h LEU 458 Ca 0.12 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1u15 h LEU 458 Cb 0.49 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1u15 h LEU 458 CO 0.03 0.57 -0.33 0.24 0.09 0.00 0.00 178.44 179.03 1u15 h MET 459 N 0.35 0.00 -0.58 1.13 2.86 -0.95 -1.94 114.93 115.80 1u15 h MET 459 Ca 0.10 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1u15 h MET 459 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1u15 h MET 459 CO -0.00 0.33 -0.01 -0.22 1.06 0.00 0.00 176.91 178.07 1u15 h LYS 460 N 0.00 1.03 0.10 1.72 3.64 -1.22 -1.98 116.57 119.86 1u15 h LYS 460 Ca -0.00 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1u15 h LYS 460 Cb 0.65 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1u15 h LYS 460 CO 0.04 1.02 -0.05 0.87 -2.27 0.00 0.00 179.45 179.07 1u15 h LYS 461 N 0.92 -0.13 -0.19 1.90 1.79 -1.31 -1.79 116.57 117.75 1u15 h LYS 461 Ca 0.16 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.70 1u15 h LYS 461 Cb 0.57 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1u15 h LYS 461 CO 0.03 0.31 0.16 1.96 -1.08 0.00 0.00 179.45 180.83 1u15 h GLN 462 N -0.64 0.00 0.00 3.15 4.20 -1.38 -0.61 115.11 119.83 1u15 h GLN 462 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1u15 h GLN 462 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1u15 h GLN 462 CO 0.02 0.00 -0.89 -0.22 -0.67 0.00 0.00 178.83 177.07 1u15 h LYS 463 N 0.00 0.00 -2.47 1.46 3.64 -1.34 -3.39 116.57 114.48 1u15 h LYS 463 Ca 0.09 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1u15 h LYS 463 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1u15 h LYS 463 CO -0.00 0.15 0.17 0.39 -2.27 0.00 0.00 179.45 177.89 1u15 n GLU 464 N -2.88 0.45 0.00 1.90 1.02 -0.24 -5.09 120.64 115.80 1u15 n GLU 464 Ca -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1u15 n GLU 464 Cb 0.65 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1u15 n GLU 464 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35