#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fj1 s THR 6 N 0.00 2.87 0.00 7.28 -4.23 -1.26 -4.85 115.64 115.44 3fj1 s THR 6 Ca 0.00 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 3fj1 s THR 6 Cb 0.00 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.80 3fj1 s THR 6 CO 0.00 -0.37 0.31 0.54 -0.54 0.00 0.00 174.62 174.57 3fj1 n ARG 7 N -3.48 0.25 0.00 3.99 1.74 -1.26 -1.62 116.66 116.28 3fj1 n ARG 7 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3fj1 n ARG 7 Cb 0.57 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3fj1 n ARG 7 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fj1 n ARG 9 N 1.10 0.00 -0.22 5.56 3.00 -1.26 -1.40 116.66 123.44 3fj1 n ARG 9 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 3fj1 n ARG 9 Cb 0.13 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.66 3fj1 n ARG 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3fj1 h ARG 10 N 0.00 0.70 -0.44 -0.14 2.43 -1.63 -1.30 114.38 114.00 3fj1 h ARG 10 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3fj1 h ARG 10 Cb 0.00 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3fj1 h ARG 10 CO 0.00 0.46 0.22 1.49 -1.51 0.00 0.00 179.97 180.64 3fj1 h GLU 11 N 0.72 0.63 -0.89 0.20 4.81 -1.50 -1.59 114.58 116.96 3fj1 h GLU 11 Ca 0.26 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3fj1 h GLU 11 Cb 0.07 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3fj1 h GLU 11 CO -0.13 0.53 0.56 0.82 -0.73 0.00 0.00 179.01 180.06 3fj1 h ILE 12 N 0.58 1.24 0.00 2.32 2.04 -1.75 -2.11 117.51 119.82 3fj1 h ILE 12 Ca 0.15 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3fj1 h ILE 12 Cb 0.10 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3fj1 h ILE 12 CO -0.02 0.24 -0.03 0.44 0.00 0.00 0.00 178.15 178.78 3fj1 h ASP 13 N 1.22 0.00 0.48 1.72 3.32 -0.76 -1.89 116.42 120.52 3fj1 h ASP 13 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3fj1 h ASP 13 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3fj1 h ASP 13 CO -0.06 0.03 -0.12 -0.62 -1.72 0.00 0.00 179.24 176.74 3fj1 n GLU 14 N -4.49 0.50 0.02 3.56 1.02 -0.64 -4.35 120.64 116.25 3fj1 n GLU 14 Ca -0.03 -0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 56.84 3fj1 n GLU 14 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 3fj1 n GLU 14 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3fj1 h ILE 15 N 0.37 1.02 -0.59 -3.67 2.04 -1.13 -2.09 117.51 113.46 3fj1 h ILE 15 Ca 0.00 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.90 3fj1 h ILE 15 Cb 0.38 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3fj1 h ILE 15 CO 0.00 0.02 0.24 -0.65 0.00 0.00 0.00 178.15 177.76 3fj1 h PRO 16 N 0.04 0.43 -0.09 2.37 0.11 -1.78 0.02 132.00 133.10 3fj1 h PRO 16 Ca 0.01 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3fj1 h PRO 16 Cb 0.00 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3fj1 h PRO 16 CO -0.00 0.29 -0.43 1.05 -0.21 0.00 0.00 178.00 178.69 3fj1 h GLU 17 N 0.45 0.21 -0.47 1.05 4.11 -1.80 -0.45 114.58 117.66 3fj1 h GLU 17 Ca 0.29 -0.10 -0.04 0.00 0.07 0.00 0.00 59.36 59.57 3fj1 h GLU 17 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fj1 h GLU 17 CO -0.26 0.61 0.14 0.00 0.07 0.00 0.00 179.01 179.56 3fj1 h ALA 18 N 1.38 0.62 -0.65 1.06 0.00 -0.69 0.67 119.26 121.65 3fj1 h ALA 18 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3fj1 h ALA 18 Cb 0.83 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3fj1 h ALA 18 CO 0.07 0.29 0.21 0.28 0.00 0.00 0.00 179.25 180.10 3fj1 h VAL 19 N 0.64 1.25 -0.61 0.00 2.07 -0.63 -1.96 116.25 117.00 3fj1 h VAL 19 Ca 0.15 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3fj1 h VAL 19 Cb 0.29 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3fj1 h VAL 19 CO -0.00 0.32 0.10 -0.61 0.02 0.00 0.00 177.57 177.41 3fj1 h GLN 20 N 0.94 0.99 -0.53 1.57 5.75 -0.86 -0.56 115.11 122.41 3fj1 h GLN 20 Ca 0.21 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3fj1 h GLN 20 Cb 0.28 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3fj1 h GLN 20 CO -0.01 0.91 0.34 0.00 -2.65 0.00 0.00 178.83 177.42 3fj1 h ARG 21 N 0.93 0.70 -0.25 1.69 3.08 -0.64 -0.40 114.38 119.50 3fj1 h ARG 21 Ca 0.19 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3fj1 h ARG 21 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3fj1 h ARG 21 CO 0.01 0.48 0.13 1.25 -1.07 0.00 0.00 179.97 180.76 3fj1 h LEU 22 N 0.71 0.19 -0.84 3.04 5.85 -0.90 0.30 115.31 123.66 3fj1 h LEU 22 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3fj1 h LEU 22 Cb -0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3fj1 h LEU 22 CO -0.04 0.14 0.45 -0.07 -0.34 0.00 0.00 178.44 178.59 3fj1 h LEU 23 N 0.27 1.06 0.15 2.25 3.38 -0.90 0.88 115.31 122.40 3fj1 h LEU 23 Ca 0.10 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3fj1 h LEU 23 Cb 0.03 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.53 3fj1 h LEU 23 CO -0.07 0.86 -0.89 0.44 0.09 0.00 0.00 178.44 178.88 3fj1 h ASP 24 N 1.18 0.52 0.00 -0.43 3.32 -0.84 -3.31 116.42 116.85 3fj1 h ASP 24 Ca 0.30 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3fj1 h ASP 24 Cb 0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3fj1 h ASP 24 CO -0.05 1.43 -0.99 1.41 -1.72 0.00 0.00 179.24 179.32 3fj1 n HIS 25 N -4.08 0.00 0.70 4.55 8.25 0.10 -4.41 115.22 120.33 3fj1 n HIS 25 Ca -0.14 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.40 3fj1 n HIS 25 Cb 0.85 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.86 3fj1 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fj1 n GLY 26 N 1.45 -0.02 0.23 -1.41 0.00 0.29 -4.68 105.19 101.06 3fj1 n GLY 26 Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 3fj1 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj1 h ALA 27 N 2.79 0.73 -0.17 4.61 0.00 -1.63 -2.00 119.26 123.59 3fj1 h ALA 27 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3fj1 h ALA 27 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fj1 h ALA 27 CO 0.00 0.04 0.05 1.96 0.00 0.00 0.00 179.25 181.30 3fj1 h GLN 28 N 0.65 0.13 -0.53 0.00 1.08 -1.88 0.69 115.11 115.26 3fj1 h GLN 28 Ca 0.23 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 3fj1 h GLN 28 Cb 0.05 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3fj1 h GLN 28 CO -0.11 0.08 0.25 -0.44 -0.95 0.00 0.00 178.83 177.66 3fj1 h ASP 29 N 0.13 0.69 -0.40 1.46 3.32 -1.83 -1.57 116.42 118.22 3fj1 h ASP 29 Ca 0.08 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3fj1 h ASP 29 Cb 0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3fj1 h ASP 29 CO -0.09 0.63 0.26 0.58 -1.72 0.00 0.00 179.24 178.91 3fj1 h VAL 30 N 0.70 1.10 -0.22 -1.35 2.07 -1.13 -2.48 116.25 114.94 3fj1 h VAL 30 Ca 0.18 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3fj1 h VAL 30 Cb 0.13 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3fj1 h VAL 30 CO -0.02 0.10 -0.23 0.00 0.02 0.00 0.00 177.57 177.43 3fj1 h ALA 31 N 1.15 1.20 -0.16 1.67 0.00 -0.59 -0.20 119.26 122.33 3fj1 h ALA 31 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3fj1 h ALA 31 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3fj1 h ALA 31 CO -0.03 0.52 0.05 -0.09 0.00 0.00 0.00 179.25 179.69 3fj1 h ARG 32 N 0.36 0.24 -0.44 0.00 2.43 -1.06 -0.91 114.38 115.00 3fj1 h ARG 32 Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3fj1 h ARG 32 Cb 0.61 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3fj1 h ARG 32 CO 0.04 0.36 -0.09 0.28 -1.51 0.00 0.00 179.97 179.05 3fj1 h VAL 33 N 0.08 1.27 -0.98 0.20 2.07 -1.18 -2.46 116.25 115.26 3fj1 h VAL 33 Ca 0.05 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.43 3fj1 h VAL 33 Cb 0.21 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3fj1 h VAL 33 CO -0.00 0.41 0.64 0.00 0.02 0.00 0.00 177.57 178.63 3fj1 h ALA 34 N 0.87 1.40 -0.40 1.67 0.00 -0.95 -0.92 119.26 120.94 3fj1 h ALA 34 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3fj1 h ALA 34 Cb 0.62 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fj1 h ALA 34 CO 0.04 0.47 0.07 0.00 0.00 0.00 0.00 179.25 179.83 3fj1 h ALA 35 N 1.45 0.53 -0.30 0.00 0.00 -0.94 0.80 119.26 120.81 3fj1 h ALA 35 Ca 0.41 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3fj1 h ALA 35 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3fj1 h ALA 35 CO -0.15 0.24 0.03 0.28 0.00 0.00 0.00 179.25 179.65 3fj1 h VAL 36 N 0.51 0.82 -0.63 0.00 2.07 -0.99 -2.68 116.25 115.35 3fj1 h VAL 36 Ca 0.12 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3fj1 h VAL 36 Cb 0.36 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3fj1 h VAL 36 CO 0.01 0.02 0.03 -0.07 0.02 0.00 0.00 177.57 177.58 3fj1 h LEU 37 N 0.13 1.06 -0.38 2.57 3.38 -1.03 -0.83 115.31 120.20 3fj1 h LEU 37 Ca 0.14 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3fj1 h LEU 37 Cb 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3fj1 h LEU 37 CO -0.21 1.09 0.07 -0.09 0.09 0.00 0.00 178.44 179.39 3fj1 h ARG 38 N 1.00 0.19 0.03 1.13 2.43 -0.64 0.17 114.38 118.69 3fj1 h ARG 38 Ca 0.18 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 59.07 3fj1 h ARG 38 Cb 0.53 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3fj1 h ARG 38 CO 0.03 0.12 -1.09 -0.07 -1.51 0.00 0.00 179.97 177.45 3fj1 h LEU 39 N 0.19 0.88 -1.20 3.80 3.38 -1.44 -3.27 115.31 117.64 3fj1 h LEU 39 Ca 0.18 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3fj1 h LEU 39 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fj1 h LEU 39 CO -0.25 1.53 0.28 0.03 0.09 0.00 0.00 178.44 180.12 3fj1 h ARG 40 N 0.35 0.83 -6.30 1.13 3.08 -0.98 -3.47 114.38 109.02 3fj1 h ARG 40 Ca -0.14 -0.11 -0.45 0.00 0.07 0.00 0.00 59.98 59.35 3fj1 h ARG 40 Cb 1.75 -0.16 0.05 0.00 0.08 0.00 0.00 29.97 31.69 3fj1 h ARG 40 CO 0.21 0.65 -0.92 -3.47 -1.07 0.00 0.00 179.97 175.37 3fj1 n ASP 41 N -4.35 -3.68 -4.73 7.04 2.03 0.58 -4.90 116.55 108.53 3fj1 n ASP 41 Ca 0.05 -1.01 -0.37 0.00 0.52 0.00 0.00 54.79 53.99 3fj1 n ASP 41 Cb 0.13 -3.30 0.07 0.00 -0.72 0.00 0.00 41.12 37.30 3fj1 n ASP 41 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3fj1 s PRO 42 N -6.16 2.56 0.00 -0.67 0.04 -1.26 -4.93 135.00 124.57 3fj1 s PRO 42 Ca 0.32 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.61 3fj1 s PRO 42 Cb -0.12 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.76 3fj1 s PRO 42 CO 0.87 -1.58 1.24 -1.13 0.04 0.00 0.00 177.00 176.44 3fj1 n SER 43 N -1.94 2.95 -3.71 6.66 3.41 -1.26 -4.95 113.62 114.78 3fj1 n SER 43 Ca 0.15 -1.97 -0.14 0.00 -0.26 0.00 0.00 58.87 56.65 3fj1 n SER 43 Cb 0.48 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3fj1 n SER 43 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fj1 s PHE 44 N -1.93 -0.34 -0.01 7.33 5.36 -1.26 -4.37 117.98 122.77 3fj1 s PHE 44 Ca 0.27 0.64 0.05 0.00 -0.96 0.00 0.00 56.93 56.93 3fj1 s PHE 44 Cb 0.19 0.17 -0.01 0.00 -0.34 0.00 0.00 43.02 43.03 3fj1 s PHE 44 CO 0.29 -0.39 -0.16 0.08 -1.46 0.00 0.00 175.22 173.58 3fj1 s VAL 45 N -0.93 1.27 -0.05 3.12 1.01 -0.76 -1.95 120.40 122.12 3fj1 s VAL 45 Ca -0.10 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3fj1 s VAL 45 Cb -0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 3fj1 s VAL 45 CO 0.04 0.35 -0.19 0.00 0.00 0.00 0.00 175.10 175.30 3fj1 s ALA 46 N -0.40 1.70 0.11 5.51 0.00 0.49 -0.63 121.76 128.55 3fj1 s ALA 46 Ca 0.06 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.30 3fj1 s ALA 46 Cb -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3fj1 s ALA 46 CO -0.01 0.31 -0.06 0.95 0.00 0.00 0.00 175.76 176.96 3fj1 s THR 47 N -0.00 3.61 -0.15 0.00 -4.23 0.71 -0.54 115.64 115.05 3fj1 s THR 47 Ca -0.04 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3fj1 s THR 47 Cb -0.12 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.05 3fj1 s THR 47 CO 0.03 0.09 0.02 -0.69 -0.54 0.00 0.00 174.62 173.53 3fj1 s VAL 48 N -1.30 0.48 0.07 2.29 1.01 -0.60 -1.11 120.40 121.25 3fj1 s VAL 48 Ca 0.23 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 3fj1 s VAL 48 Cb -0.11 -0.85 0.08 0.00 0.00 0.00 0.00 36.38 35.50 3fj1 s VAL 48 CO 0.16 -0.03 0.99 0.00 0.00 0.00 0.00 175.10 176.22 3fj1 s ALA 49 N 1.90 -1.79 0.11 5.51 0.00 -1.26 -1.61 121.76 124.61 3fj1 s ALA 49 Ca 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 3fj1 s ALA 49 Cb -0.15 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3fj1 s ALA 49 CO -0.07 -0.92 0.10 -0.98 0.00 0.00 0.00 175.76 173.89 3fj1 s ARG 50 N -3.10 0.88 4.16 0.00 1.70 -1.26 -4.71 118.95 116.62 3fj1 s ARG 50 Ca 0.10 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 3fj1 s ARG 50 Cb -0.00 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 3fj1 s ARG 50 CO -0.02 -0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 3fj1 n GLY 51 N -0.06 2.36 0.36 3.88 0.00 -1.26 -2.26 105.19 108.21 3fj1 n GLY 51 Ca -0.09 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.66 3fj1 n GLY 51 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fj1 h SER 52 N 7.09 0.56 0.15 1.61 0.87 -2.00 -1.12 113.55 120.71 3fj1 h SER 52 Ca 0.00 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3fj1 h SER 52 Cb 0.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3fj1 h SER 52 CO 0.00 0.34 -0.07 0.28 -0.53 0.00 0.00 176.83 176.85 3fj1 h SER 53 N 0.62 0.00 0.68 6.23 0.02 -1.78 -1.07 113.55 118.26 3fj1 h SER 53 Ca 0.32 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 3fj1 h SER 53 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3fj1 h SER 53 CO -0.11 0.07 -0.59 -0.78 -1.14 0.00 0.00 176.83 174.28 3fj1 h ASP 54 N 0.00 0.00 -0.01 3.07 3.58 -0.98 -1.33 116.42 120.75 3fj1 h ASP 54 Ca -0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 3fj1 h ASP 54 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3fj1 h ASP 54 CO 0.01 0.59 -0.27 0.45 -2.88 0.00 0.00 179.24 177.15 3fj1 h HIS 55 N 0.00 0.48 -0.30 0.28 3.86 -1.24 -0.55 115.15 117.68 3fj1 h HIS 55 Ca -0.01 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3fj1 h HIS 55 Cb 1.09 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3fj1 h HIS 55 CO 0.00 0.66 0.17 0.28 0.86 0.00 0.00 177.93 179.89 3fj1 h VAL 56 N 0.38 1.12 -1.00 2.45 2.07 -1.09 -1.42 116.25 118.76 3fj1 h VAL 56 Ca 0.05 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3fj1 h VAL 56 Cb 0.67 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3fj1 h VAL 56 CO 0.05 0.12 0.66 0.00 0.02 0.00 0.00 177.57 178.42 3fj1 h THR 58 N 1.32 1.06 0.05 0.00 2.02 -0.80 0.33 112.91 116.89 3fj1 h THR 58 Ca 0.38 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.39 3fj1 h THR 58 Cb -0.09 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3fj1 h THR 58 CO -0.10 0.10 -0.16 0.22 0.37 0.00 0.00 175.52 175.95 3fj1 h TYR 59 N 0.54 -0.41 0.00 3.16 5.03 -0.49 -2.53 116.97 122.27 3fj1 h TYR 59 Ca 0.17 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.44 3fj1 h TYR 59 Cb -0.01 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 3fj1 h TYR 59 CO -0.06 -0.23 -0.26 -0.07 -1.32 0.00 0.00 178.16 176.22 3fj1 h LEU 60 N -0.29 0.00 0.00 2.82 3.38 -0.17 -1.99 115.31 119.07 3fj1 h LEU 60 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fj1 h LEU 60 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fj1 h LEU 60 CO -0.11 0.26 -0.00 0.28 0.09 0.00 0.00 178.44 178.95 3fj1 h SER 61 N 0.00 -0.00 -0.34 -0.43 0.02 -0.01 0.12 113.55 112.91 3fj1 h SER 61 Ca -0.00 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3fj1 h SER 61 Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3fj1 h SER 61 CO 0.03 0.14 0.20 1.88 -1.14 0.00 0.00 176.83 177.95 3fj1 h TYR 62 N -0.15 0.38 -0.15 3.45 0.05 -1.27 -1.32 116.97 117.96 3fj1 h TYR 62 Ca -0.00 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.84 3fj1 h TYR 62 Cb 0.15 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 3fj1 h TYR 62 CO -0.03 0.23 -0.17 0.00 -1.05 0.00 0.00 178.16 177.14 3fj1 h ALA 63 N 1.14 -0.08 -0.60 3.88 0.00 -1.20 0.77 119.26 123.18 3fj1 h ALA 63 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fj1 h ALA 63 Cb -0.01 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fj1 h ALA 63 CO -0.06 -0.62 0.07 0.00 0.00 0.00 0.00 179.25 178.65 3fj1 h ALA 64 N 0.85 1.00 -0.21 0.00 0.00 -0.68 0.15 119.26 120.37 3fj1 h ALA 64 Ca 0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3fj1 h ALA 64 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fj1 h ALA 64 CO -0.27 0.63 -0.10 0.93 0.00 0.00 0.00 179.25 180.44 3fj1 h GLU 65 N 0.92 0.44 -0.24 0.00 5.08 -0.94 -0.96 114.58 118.88 3fj1 h GLU 65 Ca 0.18 -0.19 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 3fj1 h GLU 65 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3fj1 h GLU 65 CO 0.01 0.72 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.15 3fj1 h LEU 66 N 0.14 0.87 0.17 1.33 3.38 -0.78 -1.19 115.31 119.23 3fj1 h LEU 66 Ca 0.05 -0.55 -0.27 0.00 0.09 0.00 0.00 57.88 57.20 3fj1 h LEU 66 Cb 0.59 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.10 3fj1 h LEU 66 CO 0.03 1.26 -1.25 0.25 0.09 0.00 0.00 178.44 178.83 3fj1 h LEU 67 N 0.52 0.58 0.00 1.67 5.85 -0.78 -3.41 115.31 119.74 3fj1 h LEU 67 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 3fj1 h LEU 67 Cb 1.13 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3fj1 h LEU 67 CO 0.11 1.58 -0.70 0.18 -0.34 0.00 0.00 178.44 179.28 3fj1 n LEU 68 N -3.91 0.35 -0.36 2.25 4.77 -0.41 -5.01 117.00 114.68 3fj1 n LEU 68 Ca -0.18 -0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 55.37 3fj1 n LEU 68 Cb 0.95 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 3fj1 n LEU 68 CO 0.51 0.09 -0.04 0.61 -1.33 0.00 0.00 177.39 177.22 3fj1 n GLY 69 N 1.40 0.72 3.68 -0.72 0.00 -0.45 -4.99 105.19 104.83 3fj1 n GLY 69 Ca 0.01 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3fj1 n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fj1 s LEU 70 N -1.07 4.18 0.50 0.99 1.43 -1.18 -4.95 118.68 118.59 3fj1 s LEU 70 Ca 0.00 0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 53.58 3fj1 s LEU 70 Cb 0.00 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 3fj1 s LEU 70 CO 0.00 -0.13 1.25 -2.16 0.23 0.00 0.00 176.35 175.55 3fj1 s PRO 71 N 1.35 3.47 -0.14 1.29 0.04 -1.26 -3.72 135.00 136.02 3fj1 s PRO 71 Ca 0.24 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3fj1 s PRO 71 Cb -0.15 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.08 3fj1 s PRO 71 CO 0.10 -0.85 -0.14 0.08 0.04 0.00 0.00 177.00 176.23 3fj1 s VAL 72 N -1.44 1.52 -0.22 -0.36 1.01 -1.26 -1.83 120.40 117.82 3fj1 s VAL 72 Ca 0.67 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3fj1 s VAL 72 Cb -0.34 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3fj1 s VAL 72 CO 0.40 0.45 0.12 0.00 0.00 0.00 0.00 175.10 176.08 3fj1 s ALA 73 N 1.49 3.53 -0.38 5.51 0.00 0.20 -4.98 121.76 127.13 3fj1 s ALA 73 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 3fj1 s ALA 73 Cb -0.13 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.83 3fj1 s ALA 73 CO -0.10 -0.06 0.78 0.45 0.00 0.00 0.00 175.76 176.83 3fj1 s SER 74 N 0.80 6.53 -0.25 0.00 0.15 -1.26 -0.21 113.70 119.46 3fj1 s SER 74 Ca 0.06 0.27 -0.21 0.00 0.70 0.00 0.00 55.95 56.78 3fj1 s SER 74 Cb -0.13 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 3fj1 s SER 74 CO 0.02 -0.76 0.65 -0.76 1.20 0.00 0.00 173.24 173.60 3fj1 s LEU 75 N 3.13 4.07 -0.03 3.45 1.43 -0.27 -4.92 118.68 125.53 3fj1 s LEU 75 Ca 0.31 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 3fj1 s LEU 75 Cb -0.13 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.12 3fj1 s LEU 75 CO 0.18 -0.39 1.96 -0.83 0.23 0.00 0.00 176.35 177.51 3fj1 s GLY 76 N 1.45 1.28 0.62 -3.19 0.00 -1.26 -4.72 107.32 101.49 3fj1 s GLY 76 Ca 0.27 1.15 0.32 0.00 0.00 0.00 0.00 44.72 46.46 3fj1 s GLY 76 CO 0.08 3.46 2.14 -2.55 0.00 0.00 0.00 173.10 176.24 3fj1 h PRO 77 N 11.29 0.00 -0.05 2.90 0.11 -1.91 -1.78 132.00 142.56 3fj1 h PRO 77 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3fj1 h PRO 77 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fj1 h PRO 77 CO 0.95 0.00 0.05 0.66 -0.21 0.00 0.00 178.00 179.45 3fj1 h SER 78 N 0.00 0.00 -0.98 -2.05 4.64 -1.89 -1.01 113.55 112.26 3fj1 h SER 78 Ca 0.05 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.59 3fj1 h SER 78 Cb 0.39 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.39 3fj1 h SER 78 CO -0.00 0.00 0.62 0.58 -0.87 0.00 0.00 176.83 177.16 3fj1 h VAL 79 N 0.00 0.65 0.00 0.95 2.07 -1.71 0.10 116.25 118.31 3fj1 h VAL 79 Ca 0.02 -0.18 -0.28 0.00 0.82 0.00 0.00 66.70 67.08 3fj1 h VAL 79 Cb 0.12 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3fj1 h VAL 79 CO -0.00 0.10 -1.59 0.00 0.02 0.00 0.00 177.57 176.10 3fj1 n ALA 80 N -2.44 0.89 0.20 1.67 0.00 -0.65 -0.64 120.51 119.55 3fj1 n ALA 80 Ca 0.22 -0.69 0.08 0.00 0.00 0.00 0.00 53.44 53.05 3fj1 n ALA 80 Cb 0.70 -0.28 0.38 0.00 0.00 0.00 0.00 19.45 20.26 3fj1 n ALA 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fj1 h SER 81 N -1.00 0.00 0.00 0.00 4.64 -1.06 -2.02 113.55 114.11 3fj1 h SER 81 Ca -0.42 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.73 3fj1 h SER 81 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 3fj1 h SER 81 CO -0.25 0.30 -1.41 0.52 -0.87 0.00 0.00 176.83 175.12 3fj1 n VAL 82 N -3.46 1.18 0.40 0.95 0.31 0.25 -4.78 118.33 113.19 3fj1 n VAL 82 Ca 0.00 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.41 3fj1 n VAL 82 Cb 0.48 -1.90 0.05 0.00 -0.91 0.00 0.00 33.84 31.55 3fj1 n VAL 82 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3fj1 n TYR 83 N -3.96 0.54 -4.16 3.52 4.01 -0.61 -4.96 117.16 111.55 3fj1 n TYR 83 Ca -0.24 0.16 -0.31 0.00 -0.16 0.00 0.00 57.90 57.35 3fj1 n TYR 83 Cb 0.57 -0.66 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 3fj1 n TYR 83 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3fj1 n ASP 84 N -2.23 -0.75 -4.79 7.72 2.03 -0.76 -4.90 116.55 112.87 3fj1 n ASP 84 Ca 0.01 -1.10 -0.34 0.00 0.52 0.00 0.00 54.79 53.88 3fj1 n ASP 84 Cb 0.48 -2.48 -0.03 0.00 -0.72 0.00 0.00 41.12 38.37 3fj1 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fj1 s ALA 85 N -3.87 2.84 -0.22 -1.67 0.00 0.19 -4.98 121.76 114.04 3fj1 s ALA 85 Ca 0.23 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 3fj1 s ALA 85 Cb -0.13 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3fj1 s ALA 85 CO 0.94 -0.41 0.49 0.50 0.00 0.00 0.00 175.76 177.28 3fj1 s ARG 86 N -3.29 4.14 0.15 0.00 3.00 -1.26 -4.81 118.95 116.89 3fj1 s ARG 86 Ca 0.68 0.34 0.07 0.00 -1.00 0.00 0.00 55.73 55.82 3fj1 s ARG 86 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 34.95 31.15 3fj1 s ARG 86 CO 0.22 -0.20 -0.02 -0.51 0.00 0.00 0.00 175.30 174.79 3fj1 s LEU 87 N 1.81 3.29 -1.06 -0.88 1.43 -1.26 -5.06 118.68 116.95 3fj1 s LEU 87 Ca 0.22 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3fj1 s LEU 87 Cb -0.15 -1.97 0.18 0.00 0.03 0.00 0.00 46.19 44.27 3fj1 s LEU 87 CO 0.09 0.11 1.21 -0.13 0.23 0.00 0.00 176.35 177.86 3fj1 s ARG 88 N -2.77 3.88 -0.12 1.70 0.52 -1.26 -4.79 118.95 116.11 3fj1 s ARG 88 Ca 0.26 -2.36 0.15 0.00 -0.52 0.00 0.00 55.73 53.26 3fj1 s ARG 88 Cb -0.10 -4.88 0.46 0.00 0.52 0.00 0.00 34.95 30.96 3fj1 s ARG 88 CO 0.18 -1.65 1.37 1.28 0.02 0.00 0.00 175.30 176.50 3fj1 n LEU 89 N 5.41 3.60 -4.68 2.53 4.77 -0.92 -5.00 117.00 122.71 3fj1 n LEU 89 Ca 0.28 -2.68 -0.45 0.00 -0.03 0.00 0.00 56.01 53.13 3fj1 n LEU 89 Cb 0.45 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3fj1 n LEU 89 CO 0.53 0.69 1.10 0.47 -1.33 0.00 0.00 177.39 178.85 3fj1 n ASP 90 N -0.16 2.99 0.00 -1.43 8.00 -1.16 -1.49 116.55 123.30 3fj1 n ASP 90 Ca 0.18 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.80 3fj1 n ASP 90 Cb 0.74 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 3fj1 n ASP 90 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fj1 n ARG 91 N 2.55 0.00 -2.18 -1.24 5.12 -1.21 -4.93 116.66 114.77 3fj1 n ARG 91 Ca 0.13 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.71 3fj1 n ARG 91 Cb 0.31 -0.88 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 3fj1 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fj1 s ALA 92 N -0.96 2.70 -0.13 7.54 0.00 -0.56 -4.39 121.76 125.97 3fj1 s ALA 92 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 3fj1 s ALA 92 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3fj1 s ALA 92 CO 0.00 -0.77 0.49 -1.17 0.00 0.00 0.00 175.76 174.32 3fj1 s LEU 93 N -4.08 4.26 -0.30 0.00 2.96 -0.82 -0.91 118.68 119.79 3fj1 s LEU 93 Ca 0.68 0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3fj1 s LEU 93 Cb -0.20 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.80 3fj1 s LEU 93 CO 0.30 -0.03 0.05 0.00 -1.32 0.00 0.00 176.35 175.35 3fj1 s LEU 95 N 1.43 4.66 -0.18 0.00 2.96 0.30 -1.01 118.68 126.85 3fj1 s LEU 95 Ca 0.01 -0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 52.87 3fj1 s LEU 95 Cb -0.18 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3fj1 s LEU 95 CO 0.01 -0.37 0.14 0.00 -1.32 0.00 0.00 176.35 174.81 3fj1 s ALA 96 N 1.56 3.73 -0.15 5.97 0.00 -0.20 -1.55 121.76 131.12 3fj1 s ALA 96 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3fj1 s ALA 96 Cb -0.19 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3fj1 s ALA 96 CO 0.07 0.27 -0.18 0.08 0.00 0.00 0.00 175.76 176.00 3fj1 s VAL 97 N 0.01 1.84 -0.27 0.00 1.01 -0.64 -0.41 120.40 121.94 3fj1 s VAL 97 Ca 0.10 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3fj1 s VAL 97 Cb -0.11 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.69 3fj1 s VAL 97 CO -0.00 0.50 0.64 -0.55 0.00 0.00 0.00 175.10 175.69 3fj1 s SER 98 N 1.19 -0.95 0.08 3.32 0.15 -0.65 -4.51 113.70 112.33 3fj1 s SER 98 Ca 0.00 1.47 -0.34 0.00 0.70 0.00 0.00 55.95 57.78 3fj1 s SER 98 Cb -0.14 1.67 -0.17 0.00 -1.71 0.00 0.00 66.02 65.67 3fj1 s SER 98 CO -0.08 -0.23 1.60 -0.61 1.20 0.00 0.00 173.24 175.12 3fj1 h GLN 99 N 7.43 -0.95 0.00 5.44 -0.00 -1.95 -3.27 115.11 121.81 3fj1 h GLN 99 Ca -0.25 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 3fj1 h GLN 99 Cb 1.17 0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.87 3fj1 h GLN 99 CO 0.15 -0.63 -0.88 -1.13 0.00 0.00 0.00 178.83 176.34 3fj1 n SER 100 N -5.54 0.65 -1.51 -0.69 3.41 -1.26 -1.02 113.62 107.66 3fj1 n SER 100 Ca -0.13 -0.05 -0.17 0.00 -0.26 0.00 0.00 58.87 58.26 3fj1 n SER 100 Cb 0.43 0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 64.87 3fj1 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fj1 n GLY 101 N 1.35 1.05 0.10 5.00 0.00 -1.23 -4.67 105.19 106.78 3fj1 n GLY 101 Ca 0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3fj1 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fj1 n LYS 102 N -2.55 0.68 -1.53 1.61 5.02 -1.26 -1.16 118.16 118.97 3fj1 n LYS 102 Ca -0.18 0.05 -0.61 0.00 -2.02 0.00 0.00 58.31 55.56 3fj1 n LYS 102 Cb 0.59 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 3fj1 n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fj1 n SER 103 N -2.83 1.46 -0.34 4.39 2.88 -1.26 -4.85 113.62 113.08 3fj1 n SER 103 Ca -0.30 0.88 0.05 0.00 -1.33 0.00 0.00 58.87 58.17 3fj1 n SER 103 Cb 1.13 -1.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.82 3fj1 n SER 103 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3fj1 h PRO 104 N 7.90 1.02 -0.25 -1.46 0.11 -1.99 -0.60 132.00 136.73 3fj1 h PRO 104 Ca -0.31 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.77 3fj1 h PRO 104 Cb 1.37 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3fj1 h PRO 104 CO 1.02 0.67 0.06 -0.44 -0.21 0.00 0.00 178.00 179.11 3fj1 h ASP 105 N 1.05 0.05 -0.25 -2.05 5.19 -1.94 0.75 116.42 119.22 3fj1 h ASP 105 Ca 0.43 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.80 3fj1 h ASP 105 Cb 0.29 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3fj1 h ASP 105 CO -0.19 0.06 -0.15 0.40 -3.12 0.00 0.00 179.24 176.24 3fj1 h ILE 106 N 0.17 1.30 -0.74 0.35 1.08 -1.78 -2.88 117.51 115.00 3fj1 h ILE 106 Ca 0.11 -1.26 0.03 0.00 -0.39 0.00 0.00 64.86 63.35 3fj1 h ILE 106 Cb 0.10 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 3fj1 h ILE 106 CO -0.13 0.39 0.47 0.58 -0.69 0.00 0.00 178.15 178.77 3fj1 h VAL 107 N 0.27 1.10 0.00 1.67 2.07 -1.05 -1.64 116.25 118.67 3fj1 h VAL 107 Ca 0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3fj1 h VAL 107 Cb 0.68 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3fj1 h VAL 107 CO 0.04 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.80 3fj1 n ALA 108 N -2.32 1.48 0.00 1.67 0.00 0.25 -0.78 120.51 120.81 3fj1 n ALA 108 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3fj1 n ALA 108 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3fj1 n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fj1 n THR 110 N 0.34 0.00 -0.04 0.00 -1.04 -0.62 -0.86 114.28 112.06 3fj1 n THR 110 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3fj1 n THR 110 Cb 0.08 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.56 3fj1 n THR 110 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3fj1 h ARG 111 N 0.00 0.04 -0.49 -2.82 2.43 -1.18 -2.30 114.38 110.06 3fj1 h ARG 111 Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3fj1 h ARG 111 Cb 0.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3fj1 h ARG 111 CO 0.00 0.02 0.04 -0.91 -1.51 0.00 0.00 179.97 177.61 3fj1 h ASN 112 N 0.04 0.74 -0.85 -3.80 4.21 -1.24 -1.87 115.58 112.81 3fj1 h ASN 112 Ca 0.09 -0.16 0.01 0.00 1.21 0.00 0.00 56.30 57.45 3fj1 h ASN 112 Cb 0.12 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.09 3fj1 h ASN 112 CO -0.17 0.79 0.56 0.00 -1.29 0.00 0.00 177.43 177.32 3fj1 h ALA 113 N 1.30 1.08 -0.21 -0.83 0.00 -1.73 -0.26 119.26 118.61 3fj1 h ALA 113 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fj1 h ALA 113 Cb 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fj1 h ALA 113 CO 0.01 0.49 -0.04 0.78 0.00 0.00 0.00 179.25 180.50 3fj1 h GLY 114 N 1.16 0.42 0.17 0.00 0.00 -1.22 -0.76 103.07 102.83 3fj1 h GLY 114 Ca 0.31 -0.34 0.19 0.00 0.00 0.00 0.00 47.33 47.49 3fj1 h GLY 114 CO -0.07 0.31 0.61 -0.09 0.00 0.00 0.00 176.54 177.31 3fj1 h ARG 115 N 0.12 0.71 -0.61 4.80 2.43 -1.07 -2.40 114.38 118.36 3fj1 h ARG 115 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3fj1 h ARG 115 Cb 0.48 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3fj1 h ARG 115 CO 0.02 0.47 0.00 -0.25 -1.51 0.00 0.00 179.97 178.70 3fj1 n ASP 116 N -4.72 3.52 0.00 -3.80 8.00 -0.13 -4.91 116.55 114.50 3fj1 n ASP 116 Ca 0.23 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.42 3fj1 n ASP 116 Cb 0.58 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3fj1 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fj1 n GLY 117 N 0.92 0.69 3.83 0.44 0.00 -0.90 -2.17 105.19 108.00 3fj1 n GLY 117 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3fj1 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj1 s ALA 118 N -2.00 2.98 -0.41 4.61 0.00 -0.33 -3.34 121.76 123.26 3fj1 s ALA 118 Ca 0.00 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 3fj1 s ALA 118 Cb 0.00 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3fj1 s ALA 118 CO 0.00 -0.33 0.73 -1.17 0.00 0.00 0.00 175.76 174.99 3fj1 s LEU 119 N -4.01 4.26 -0.17 0.00 2.96 -0.09 -4.30 118.68 117.33 3fj1 s LEU 119 Ca 0.61 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.41 3fj1 s LEU 119 Cb -0.12 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 3fj1 s LEU 119 CO 0.29 -0.78 0.26 0.00 -1.32 0.00 0.00 176.35 174.80 3fj1 s VAL 121 N 0.53 1.12 -0.20 0.00 1.01 -0.18 -1.62 120.40 121.06 3fj1 s VAL 121 Ca 0.15 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3fj1 s VAL 121 Cb -0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3fj1 s VAL 121 CO 0.03 0.25 0.25 0.00 0.00 0.00 0.00 175.10 175.63 3fj1 s ALA 122 N 1.65 3.61 -0.39 5.51 0.00 0.12 -1.03 121.76 131.22 3fj1 s ALA 122 Ca 0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 3fj1 s ALA 122 Cb -0.14 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.61 3fj1 s ALA 122 CO -0.08 -0.06 0.28 -0.51 0.00 0.00 0.00 175.76 175.38 3fj1 s LEU 123 N 0.80 4.95 0.08 0.00 1.43 0.46 0.01 118.68 126.41 3fj1 s LEU 123 Ca 0.13 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 3fj1 s LEU 123 Cb -0.13 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3fj1 s LEU 123 CO 0.04 -0.41 0.15 0.28 0.23 0.00 0.00 176.35 176.64 3fj1 s THR 124 N 1.66 0.16 -2.39 5.49 -1.32 -0.96 -1.63 115.64 116.65 3fj1 s THR 124 Ca 0.05 -1.28 0.22 0.00 -1.21 0.00 0.00 61.69 59.47 3fj1 s THR 124 Cb -0.19 -1.35 0.44 0.00 -1.51 0.00 0.00 72.50 69.90 3fj1 s THR 124 CO 0.09 -0.71 1.44 -3.20 -2.21 0.00 0.00 174.62 170.03 3fj1 n ASN 125 N 0.01 3.05 -3.56 8.08 5.15 -0.19 -1.11 115.26 126.70 3fj1 n ASN 125 Ca -0.15 -1.94 -0.29 0.00 -0.60 0.00 0.00 54.58 51.60 3fj1 n ASN 125 Cb 0.62 -0.23 -0.14 0.00 -0.53 0.00 0.00 39.78 39.49 3fj1 n ASN 125 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fj1 s ASP 126 N -1.46 3.47 0.00 1.20 -1.08 -1.15 -4.92 116.67 112.74 3fj1 s ASP 126 Ca 0.37 -1.68 0.17 0.00 -0.52 0.00 0.00 52.55 50.90 3fj1 s ASP 126 Cb 0.21 -0.49 0.77 0.00 -1.46 0.00 0.00 42.92 41.95 3fj1 s ASP 126 CO 0.30 -0.39 1.52 0.00 0.52 0.00 0.00 175.17 177.12 3fj1 n ALA 127 N 4.75 1.82 -0.30 3.66 0.00 -1.26 -2.03 120.51 127.15 3fj1 n ALA 127 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3fj1 n ALA 127 Cb 0.40 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 18.90 3fj1 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fj1 n ALA 128 N -1.41 2.38 -1.58 0.00 0.00 -1.26 -4.78 120.51 113.86 3fj1 n ALA 128 Ca 0.06 -1.27 -0.30 0.00 0.00 0.00 0.00 53.44 51.92 3fj1 n ALA 128 Cb 0.17 -0.93 0.08 0.00 0.00 0.00 0.00 19.45 18.77 3fj1 n ALA 128 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fj1 s SER 129 N -1.06 4.62 0.37 0.00 1.04 -0.86 -4.89 113.70 112.92 3fj1 s SER 129 Ca 0.49 1.31 0.10 0.00 0.48 0.00 0.00 55.95 58.32 3fj1 s SER 129 Cb 0.26 -2.05 0.85 0.00 0.10 0.00 0.00 66.02 65.17 3fj1 s SER 129 CO 0.34 -1.89 1.91 -0.65 0.98 0.00 0.00 173.24 173.93 3fj1 h PRO 130 N -1.03 0.63 -0.23 4.02 0.11 -1.84 -2.16 132.00 131.50 3fj1 h PRO 130 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3fj1 h PRO 130 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fj1 h PRO 130 CO 0.60 0.42 0.11 1.25 -0.21 0.00 0.00 178.00 180.16 3fj1 h LEU 131 N 0.65 0.30 -0.84 2.35 5.85 -1.48 -1.78 115.31 120.35 3fj1 h LEU 131 Ca 0.39 -0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.13 3fj1 h LEU 131 Cb 0.61 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 3fj1 h LEU 131 CO -0.15 0.33 0.42 0.00 -0.34 0.00 0.00 178.44 178.70 3fj1 h ALA 132 N 0.98 1.25 0.00 1.25 0.00 -1.71 -1.52 119.26 119.51 3fj1 h ALA 132 Ca 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fj1 h ALA 132 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fj1 h ALA 132 CO -0.01 -0.09 -0.02 0.78 0.00 0.00 0.00 179.25 179.91 3fj1 h GLY 133 N 0.61 0.00 -2.01 0.00 0.00 -0.72 -2.26 103.07 98.70 3fj1 h GLY 133 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3fj1 h GLY 133 CO -0.36 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.51 3fj1 n VAL 134 N -3.92 1.41 -4.44 4.60 0.24 -0.60 -4.96 118.33 110.66 3fj1 n VAL 134 Ca -0.03 -1.19 -0.33 0.00 -2.04 0.00 0.00 64.34 60.75 3fj1 n VAL 134 Cb 0.10 0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.66 3fj1 n VAL 134 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3fj1 s SER 135 N -1.13 4.92 0.26 -1.34 0.01 -0.85 -4.46 113.70 111.11 3fj1 s SER 135 Ca 0.38 0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.62 3fj1 s SER 135 Cb 0.23 -1.27 0.35 0.00 0.21 0.00 0.00 66.02 65.54 3fj1 s SER 135 CO 0.20 0.33 1.77 0.00 0.41 0.00 0.00 173.24 175.95 3fj1 h ALA 136 N 4.85 1.12 -3.69 1.44 0.00 -1.63 -3.44 119.26 117.91 3fj1 h ALA 136 Ca -0.49 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 53.88 3fj1 h ALA 136 Cb 1.18 -0.19 -0.27 0.00 0.00 0.00 0.00 17.79 18.51 3fj1 h ALA 136 CO 0.54 0.56 -0.74 -1.01 0.00 0.00 0.00 179.25 178.61 3fj1 s HIS 137 N -5.00 0.34 -0.11 0.00 3.76 -0.64 -5.04 115.29 108.61 3fj1 s HIS 137 Ca -0.09 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 3fj1 s HIS 137 Cb 0.15 -0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.62 3fj1 s HIS 137 CO 0.81 -0.03 -0.21 0.99 -0.85 0.00 0.00 174.74 175.45 3fj1 s THR 138 N -0.35 1.85 -0.36 1.30 2.01 -1.26 -0.70 115.64 118.13 3fj1 s THR 138 Ca -0.01 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 3fj1 s THR 138 Cb -0.03 -1.63 0.08 0.00 0.01 0.00 0.00 72.50 70.93 3fj1 s THR 138 CO -0.00 0.51 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 3fj1 s ILE 139 N 0.62 3.29 0.19 1.82 1.01 0.10 -4.95 121.20 123.29 3fj1 s ILE 139 Ca -0.13 -1.69 -0.30 0.00 0.00 0.00 0.00 60.65 58.52 3fj1 s ILE 139 Cb -0.17 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 3fj1 s ILE 139 CO 0.04 -0.43 1.38 -0.62 0.00 0.00 0.00 174.94 175.31 3fj1 s ASP 140 N 1.59 6.79 0.00 3.58 -1.08 -1.26 -2.27 116.67 124.02 3fj1 s ASP 140 Ca 0.02 2.48 0.26 0.00 -0.52 0.00 0.00 52.55 54.80 3fj1 s ASP 140 Cb -0.21 -2.61 0.67 0.00 -1.46 0.00 0.00 42.92 39.31 3fj1 s ASP 140 CO -0.02 -0.63 1.53 2.30 0.52 0.00 0.00 175.17 178.88 3fj1 n ILE 141 N 2.90 0.00 -3.12 4.11 -5.35 -0.26 -4.86 119.36 112.77 3fj1 n ILE 141 Ca 0.08 -0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.33 3fj1 n ILE 141 Cb 0.42 0.08 0.02 0.00 -1.74 0.00 0.00 39.64 38.42 3fj1 n ILE 141 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3fj1 n HIS 142 N -1.50 -1.90 0.14 4.28 8.25 -1.26 -4.64 115.22 118.59 3fj1 n HIS 142 Ca 0.06 0.49 0.01 0.00 -0.26 0.00 0.00 57.72 58.02 3fj1 n HIS 142 Cb 0.34 -3.94 0.10 0.00 1.12 0.00 0.00 29.99 27.61 3fj1 n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fj1 h ALA 143 N 1.00 0.73 -0.74 -1.41 0.00 -1.89 -3.42 119.26 113.52 3fj1 h ALA 143 Ca -0.49 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 53.96 3fj1 h ALA 143 Cb 1.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3fj1 h ALA 143 CO 0.55 0.73 -0.10 0.41 0.00 0.00 0.00 179.25 180.85 3fj1 n GLY 144 N 0.84 -2.08 3.76 0.00 0.00 -1.26 -4.87 105.19 101.58 3fj1 n GLY 144 Ca 0.01 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 3fj1 n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fj1 s PRO 145 N -0.97 3.75 -0.06 1.61 0.04 -1.26 -4.95 135.00 133.17 3fj1 s PRO 145 Ca 0.00 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 3fj1 s PRO 145 Cb 0.00 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3fj1 s PRO 145 CO 0.00 -0.69 1.34 -1.21 0.04 0.00 0.00 177.00 176.48 3fj1 s GLU 146 N -2.43 4.28 0.05 4.56 2.02 -1.26 -4.91 118.70 121.01 3fj1 s GLU 146 Ca 0.61 1.84 0.22 0.00 0.02 0.00 0.00 54.97 57.66 3fj1 s GLU 146 Cb -0.39 -3.65 -0.13 0.00 0.10 0.00 0.00 34.13 30.06 3fj1 s GLU 146 CO 0.50 -0.59 0.81 1.28 0.02 0.00 0.00 175.26 177.28 3fj1 n LEU 147 N 5.74 0.46 -4.06 1.80 4.77 -1.26 -4.98 117.00 119.47 3fj1 n LEU 147 Ca 0.13 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 3fj1 n LEU 147 Cb 0.45 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3fj1 n LEU 147 CO 0.57 -0.00 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.71 3fj1 s SER 148 N -4.38 0.53 0.64 -1.43 0.15 -1.26 -4.86 113.70 103.09 3fj1 s SER 148 Ca -0.01 -0.79 0.36 0.00 0.70 0.00 0.00 55.95 56.21 3fj1 s SER 148 Cb 0.13 0.14 2.01 0.00 -1.71 0.00 0.00 66.02 66.59 3fj1 s SER 148 CO 0.85 -0.44 2.20 -0.37 1.20 0.00 0.00 173.24 176.67 3fj1 h VAL 149 N 3.77 0.17 0.00 4.45 -1.51 -1.94 -0.34 116.25 120.86 3fj1 h VAL 149 Ca -0.34 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 3fj1 h VAL 149 Cb 1.17 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3fj1 h VAL 149 CO 0.55 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.80 3fj1 h ALA 150 N 1.80 1.66 -6.86 5.19 0.00 -1.94 -3.47 119.26 115.65 3fj1 h ALA 150 Ca 0.02 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 3fj1 h ALA 150 Cb 0.27 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.88 3fj1 h ALA 150 CO -0.00 0.11 -0.92 0.00 0.00 0.00 0.00 179.25 178.43 3fj1 n ALA 151 N -2.43 -1.89 -0.20 0.00 0.00 -0.14 -4.88 120.51 110.97 3fj1 n ALA 151 Ca -0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 3fj1 n ALA 151 Cb 0.17 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.26 3fj1 n ALA 151 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fj1 h THR 152 N -1.72 1.26 -0.35 0.00 1.35 -1.91 -2.89 112.91 108.66 3fj1 h THR 152 Ca -0.64 -1.12 -0.11 0.00 -0.55 0.00 0.00 66.41 63.99 3fj1 h THR 152 Cb 1.39 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3fj1 h THR 152 CO 0.70 0.40 -0.22 0.11 -0.25 0.00 0.00 175.52 176.27 3fj1 h LYS 153 N 0.89 0.68 -0.29 4.72 1.57 -1.89 -2.18 116.57 120.08 3fj1 h LYS 153 Ca 0.16 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3fj1 h LYS 153 Cb 0.54 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3fj1 h LYS 153 CO 0.03 0.85 0.16 1.15 -0.57 0.00 0.00 179.45 181.06 3fj1 h THR 154 N 0.60 1.01 0.18 -0.16 2.02 -1.85 0.07 112.91 114.79 3fj1 h THR 154 Ca 0.09 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3fj1 h THR 154 Cb 0.70 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3fj1 h THR 154 CO 0.05 0.06 -0.09 0.15 0.37 0.00 0.00 175.52 176.06 3fj1 h PHE 155 N 0.33 -0.23 -0.09 3.16 3.57 -1.42 -1.63 116.94 120.63 3fj1 h PHE 155 Ca 0.12 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3fj1 h PHE 155 Cb 0.02 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3fj1 h PHE 155 CO -0.09 -0.10 0.04 0.28 -2.23 0.00 0.00 178.31 176.21 3fj1 h VAL 156 N -0.30 1.13 -0.28 1.41 2.07 -1.21 -2.11 116.25 116.97 3fj1 h VAL 156 Ca -0.03 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 3fj1 h VAL 156 Cb 0.23 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3fj1 h VAL 156 CO 0.04 0.12 -0.36 0.71 0.02 0.00 0.00 177.57 178.10 3fj1 h THR 157 N -0.00 1.29 -0.49 2.57 1.35 -1.05 -0.45 112.91 116.13 3fj1 h THR 157 Ca 0.03 -1.51 0.05 0.00 -0.55 0.00 0.00 66.41 64.43 3fj1 h THR 157 Cb 0.15 1.47 -0.05 0.00 -1.73 0.00 0.00 68.15 67.99 3fj1 h THR 157 CO -0.00 0.48 0.23 0.28 -0.25 0.00 0.00 175.52 176.26 3fj1 h SER 158 N 0.52 0.31 -0.39 5.36 0.02 -1.17 0.35 113.55 118.55 3fj1 h SER 158 Ca 0.05 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 3fj1 h SER 158 Cb 0.86 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3fj1 h SER 158 CO 0.07 0.21 -0.20 0.00 -1.14 0.00 0.00 176.83 175.78 3fj1 h ALA 159 N 1.28 0.54 -0.37 3.77 0.00 -1.07 -2.49 119.26 120.92 3fj1 h ALA 159 Ca 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3fj1 h ALA 159 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fj1 h ALA 159 CO -0.17 0.50 0.21 0.28 0.00 0.00 0.00 179.25 180.07 3fj1 h VAL 160 N 0.62 1.14 -0.40 0.00 2.07 -0.85 -0.21 116.25 118.61 3fj1 h VAL 160 Ca 0.08 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3fj1 h VAL 160 Cb 0.76 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3fj1 h VAL 160 CO 0.06 0.14 0.02 0.00 0.02 0.00 0.00 177.57 177.81 3fj1 h ALA 161 N 1.07 0.38 -0.59 1.67 0.00 -0.85 -2.53 119.26 118.41 3fj1 h ALA 161 Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3fj1 h ALA 161 Cb 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fj1 h ALA 161 CO -0.02 -0.38 0.23 0.78 0.00 0.00 0.00 179.25 179.86 3fj1 h GLY 162 N 0.12 0.95 -1.90 0.00 0.00 -1.11 -1.53 103.07 99.60 3fj1 h GLY 162 Ca 0.20 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3fj1 h GLY 162 CO -0.31 0.49 0.00 1.04 0.00 0.00 0.00 176.54 177.76 3fj1 n LEU 163 N -4.47 0.49 0.00 3.11 4.77 -0.12 -1.00 117.00 119.78 3fj1 n LEU 163 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3fj1 n LEU 163 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3fj1 n LEU 163 CO 0.39 0.08 0.00 -0.11 -1.33 0.00 0.00 177.39 176.42 3fj1 n LEU 165 N 0.86 0.00 -0.21 2.23 7.94 -0.58 -0.68 117.00 126.57 3fj1 n LEU 165 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3fj1 n LEU 165 Cb 0.08 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.10 3fj1 n LEU 165 CO 0.00 0.00 0.89 -0.07 -1.11 0.00 0.00 177.39 177.10 3fj1 h LEU 166 N 0.00 1.00 -0.40 -1.96 3.38 -1.34 -1.27 115.31 114.71 3fj1 h LEU 166 Ca 0.00 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3fj1 h LEU 166 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3fj1 h LEU 166 CO 0.00 1.01 0.03 0.00 0.09 0.00 0.00 178.44 179.57 3fj1 h ALA 167 N 1.10 0.54 -0.50 1.53 0.00 -1.16 -0.61 119.26 120.17 3fj1 h ALA 167 Ca 0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3fj1 h ALA 167 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fj1 h ALA 167 CO 0.02 0.29 -0.20 -0.44 0.00 0.00 0.00 179.25 178.92 3fj1 h ASP 168 N 0.53 1.04 -0.29 0.00 3.32 -1.79 0.21 116.42 119.44 3fj1 h ASP 168 Ca 0.12 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.79 3fj1 h ASP 168 Cb 0.43 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3fj1 h ASP 168 CO 0.02 1.19 0.18 -0.25 -1.72 0.00 0.00 179.24 178.66 3fj1 h TRP 169 N 0.88 0.34 0.00 4.55 2.91 -1.09 -2.30 115.95 121.23 3fj1 h TRP 169 Ca 0.12 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3fj1 h TRP 169 Cb 0.78 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 3fj1 h TRP 169 CO 0.05 0.21 0.00 0.00 -1.03 0.00 0.00 178.44 177.67 3fj1 n ALA 170 N -2.19 2.07 -3.86 2.65 0.00 -0.25 -4.78 120.51 114.15 3fj1 n ALA 170 Ca -0.01 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 3fj1 n ALA 170 Cb 0.04 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.10 3fj1 n ALA 170 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fj1 n GLU 171 N -1.74 -4.52 -3.14 0.00 1.02 0.57 -4.92 120.64 107.91 3fj1 n GLU 171 Ca 0.05 0.54 -0.44 0.00 -0.02 0.00 0.00 57.16 57.29 3fj1 n GLU 171 Cb 0.30 -5.09 -0.05 0.00 -0.02 0.00 0.00 31.44 26.58 3fj1 n GLU 171 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3fj1 s ASP 172 N -4.00 6.20 0.26 1.62 -1.08 -0.16 -4.94 116.67 114.57 3fj1 s ASP 172 Ca 0.24 -1.21 0.02 0.00 -0.52 0.00 0.00 52.55 51.08 3fj1 s ASP 172 Cb -0.12 -2.29 0.35 0.00 -1.46 0.00 0.00 42.92 39.39 3fj1 s ASP 172 CO 0.85 -1.00 1.67 0.44 0.52 0.00 0.00 175.17 177.64 3fj1 h ASP 173 N 9.09 0.46 -0.22 -0.34 3.32 -1.91 -1.28 116.42 125.54 3fj1 h ASP 173 Ca -0.29 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 3fj1 h ASP 173 Cb 1.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3fj1 h ASP 173 CO 1.04 0.78 0.07 1.23 -1.72 0.00 0.00 179.24 180.64 3fj1 h GLY 174 N 1.09 0.36 0.98 2.75 0.00 -1.98 -0.63 103.07 105.65 3fj1 h GLY 174 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3fj1 h GLY 174 CO 0.06 0.20 0.13 -2.00 0.00 0.00 0.00 176.54 174.93 3fj1 h LEU 175 N 0.19 0.78 -1.14 3.11 5.85 -1.90 -2.04 115.31 120.16 3fj1 h LEU 175 Ca 0.07 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3fj1 h LEU 175 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3fj1 h LEU 175 CO -0.00 0.80 0.43 0.03 -0.34 0.00 0.00 178.44 179.36 3fj1 h ARG 176 N 0.72 1.03 -0.39 1.25 3.08 -1.07 -1.01 114.38 117.99 3fj1 h ARG 176 Ca 0.16 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3fj1 h ARG 176 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3fj1 h ARG 176 CO 0.00 0.74 0.15 0.00 -1.07 0.00 0.00 179.97 179.79 3fj1 h ALA 177 N 1.44 0.50 -0.67 0.04 0.00 -0.96 -0.30 119.26 119.31 3fj1 h ALA 177 Ca 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3fj1 h ALA 177 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3fj1 h ALA 177 CO -0.05 0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.55 3fj1 h ALA 178 N 1.00 0.87 -0.39 0.00 0.00 -1.02 -2.38 119.26 117.34 3fj1 h ALA 178 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3fj1 h ALA 178 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fj1 h ALA 178 CO -0.01 0.51 0.24 -0.07 0.00 0.00 0.00 179.25 179.92 3fj1 h LEU 179 N 0.95 0.41 -1.78 0.00 3.38 -1.01 -2.40 115.31 114.88 3fj1 h LEU 179 Ca 0.22 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3fj1 h LEU 179 Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fj1 h LEU 179 CO -0.01 0.30 0.26 1.23 0.09 0.00 0.00 178.44 180.31 3fj1 h GLY 180 N 0.50 0.34 0.22 0.83 0.00 -0.77 -1.93 103.07 102.25 3fj1 h GLY 180 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3fj1 h GLY 180 CO -0.05 0.09 -0.19 0.70 0.00 0.00 0.00 176.54 177.09 3fj1 n ASN 181 N -4.48 1.02 -0.32 0.19 3.02 -0.92 -4.50 115.26 109.27 3fj1 n ASN 181 Ca 0.05 -0.95 0.04 0.00 -0.03 0.00 0.00 54.58 53.69 3fj1 n ASN 181 Cb 0.25 0.08 0.22 0.00 -0.61 0.00 0.00 39.78 39.73 3fj1 n ASN 181 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3fj1 h LEU 182 N 1.30 0.94 -0.88 3.41 3.38 -0.87 -2.32 115.31 120.28 3fj1 h LEU 182 Ca 0.00 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.12 3fj1 h LEU 182 Cb 0.48 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 3fj1 h LEU 182 CO 0.00 0.61 0.48 -0.65 0.09 0.00 0.00 178.44 178.96 3fj1 h PRO 183 N 1.07 0.67 -0.11 1.13 0.11 -1.80 0.38 132.00 133.44 3fj1 h PRO 183 Ca 0.40 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.30 3fj1 h PRO 183 Cb 0.18 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.15 3fj1 h PRO 183 CO -0.15 0.44 -0.56 0.93 -0.21 0.00 0.00 178.00 178.45 3fj1 h GLU 184 N 0.69 0.58 -0.33 1.05 3.07 -1.81 -1.02 114.58 116.81 3fj1 h GLU 184 Ca 0.47 -0.47 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3fj1 h GLU 184 Cb 0.64 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 3fj1 h GLU 184 CO -0.34 1.10 0.20 1.15 -1.40 0.00 0.00 179.01 179.71 3fj1 h THR 185 N 0.21 1.05 -0.16 1.13 2.02 -1.02 -2.24 112.91 113.89 3fj1 h THR 185 Ca -0.04 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 3fj1 h THR 185 Cb 1.20 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3fj1 h THR 185 CO 0.12 0.08 -0.50 -0.07 0.37 0.00 0.00 175.52 175.51 3fj1 h LEU 186 N 0.41 0.49 -0.48 2.58 3.38 -0.26 -0.96 115.31 120.46 3fj1 h LEU 186 Ca 0.13 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3fj1 h LEU 186 Cb -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3fj1 h LEU 186 CO -0.05 0.91 0.22 0.00 0.09 0.00 0.00 178.44 179.61 3fj1 h ALA 187 N 1.11 0.60 -0.46 1.53 0.00 -1.01 -0.22 119.26 120.79 3fj1 h ALA 187 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fj1 h ALA 187 Cb 1.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3fj1 h ALA 187 CO 0.09 -0.15 0.20 0.00 0.00 0.00 0.00 179.25 179.39 3fj1 h ALA 188 N 1.28 0.60 -0.55 0.00 0.00 -1.18 -2.75 119.26 116.66 3fj1 h ALA 188 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fj1 h ALA 188 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fj1 h ALA 188 CO -0.17 0.20 0.37 0.00 0.00 0.00 0.00 179.25 179.64 3fj1 h ALA 189 N 1.04 1.63 0.00 0.00 0.00 -0.84 -1.99 119.26 119.10 3fj1 h ALA 189 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fj1 h ALA 189 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fj1 h ALA 189 CO -0.02 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 3fj1 n SER 190 N -4.46 0.07 -0.52 0.00 3.41 -0.12 -2.72 113.62 109.28 3fj1 n SER 190 Ca 0.05 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3fj1 n SER 190 Cb 0.06 -0.53 0.46 0.00 -0.26 0.00 0.00 64.21 63.94 3fj1 n SER 190 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fj1 n ARG 191 N -1.58 1.71 -4.12 4.33 1.74 -0.75 -4.83 116.66 113.16 3fj1 n ARG 191 Ca 0.05 -1.04 -0.35 0.00 -0.77 0.00 0.00 57.85 55.74 3fj1 n ARG 191 Cb 0.25 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 3fj1 n ARG 191 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fj1 s ILE 192 N -1.91 4.65 -0.02 0.55 1.01 -1.10 -5.01 121.20 119.36 3fj1 s ILE 192 Ca 0.36 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.94 3fj1 s ILE 192 Cb 0.20 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.66 3fj1 s ILE 192 CO 0.31 0.51 0.85 -0.90 0.00 0.00 0.00 174.94 175.70 3fj1 n ASP 193 N 3.11 0.68 -3.78 3.58 5.68 -1.26 -4.68 116.55 119.88 3fj1 n ASP 193 Ca -0.17 -1.83 -0.32 0.00 -0.50 0.00 0.00 54.79 51.97 3fj1 n ASP 193 Cb 0.53 -0.14 0.02 0.00 -1.14 0.00 0.00 41.12 40.39 3fj1 n ASP 193 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fj1 n TRP 194 N -0.30 -1.87 -0.17 2.11 8.01 -1.26 -4.79 117.44 119.17 3fj1 n TRP 194 Ca 0.02 0.48 0.09 0.00 -1.31 0.00 0.00 57.50 56.79 3fj1 n TRP 194 Cb 0.55 -3.13 0.40 0.00 -2.01 0.00 0.00 31.31 27.13 3fj1 n TRP 194 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3fj1 h PRO 195 N -1.54 0.62 -1.61 -0.99 0.13 -2.02 -2.38 132.00 124.21 3fj1 h PRO 195 Ca -0.62 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3fj1 h PRO 195 Cb 1.35 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3fj1 h PRO 195 CO 0.45 0.41 0.00 0.39 -0.23 0.00 0.00 178.00 179.02 3fj1 n GLU 196 N -4.49 0.53 0.00 0.86 -0.58 -1.26 -1.95 120.64 113.75 3fj1 n GLU 196 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3fj1 n GLU 196 Cb 0.33 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 3fj1 n GLU 196 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3fj1 n ARG 198 N 1.00 0.00 -0.03 3.49 1.74 -0.90 -2.49 116.66 119.47 3fj1 n ARG 198 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3fj1 n ARG 198 Cb 0.27 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.68 3fj1 n ARG 198 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fj1 h VAL 199 N 0.00 0.91 -0.26 1.55 2.07 -1.68 0.05 116.25 118.89 3fj1 h VAL 199 Ca 0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3fj1 h VAL 199 Cb 0.00 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3fj1 h VAL 199 CO 0.00 0.02 0.07 0.00 0.02 0.00 0.00 177.57 177.68 3fj1 h ALA 200 N 1.14 0.28 -0.51 1.67 0.00 -1.78 -0.79 119.26 119.26 3fj1 h ALA 200 Ca 0.08 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3fj1 h ALA 200 Cb 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3fj1 h ALA 200 CO -0.12 -0.34 -0.07 0.82 0.00 0.00 0.00 179.25 179.55 3fj1 h ILE 201 N 0.18 1.26 -0.71 0.00 2.04 -1.75 -1.38 117.51 117.15 3fj1 h ILE 201 Ca 0.12 -1.17 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3fj1 h ILE 201 Cb 0.10 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3fj1 h ILE 201 CO -0.13 0.41 0.38 1.23 0.00 0.00 0.00 178.15 180.04 3fj1 h GLY 202 N 0.98 1.06 1.49 5.37 0.00 -0.30 -1.23 103.07 110.43 3fj1 h GLY 202 Ca 0.14 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 3fj1 h GLY 202 CO 0.04 0.11 -0.36 0.00 0.00 0.00 0.00 176.54 176.33 3fj1 h ALA 203 N 1.40 0.89 -2.50 3.60 0.00 -0.85 -3.39 119.26 118.41 3fj1 h ALA 203 Ca 0.33 -0.42 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 3fj1 h ALA 203 Cb 0.29 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 17.57 3fj1 h ALA 203 CO -0.23 0.63 -0.90 1.03 0.00 0.00 0.00 179.25 179.79 3fj1 s ARG 204 N -4.32 0.69 -1.49 0.00 1.81 -0.55 -5.07 118.95 110.02 3fj1 s ARG 204 Ca -0.07 -1.64 -0.12 0.00 -1.72 0.00 0.00 55.73 52.18 3fj1 s ARG 204 Cb 0.13 -1.36 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 3fj1 s ARG 204 CO 0.82 -1.28 2.62 -0.35 -0.68 0.00 0.00 175.30 176.43 3fj1 n PRO 205 N 3.58 3.22 -3.83 3.54 -0.04 -0.52 -4.42 135.00 136.53 3fj1 n PRO 205 Ca 0.19 -2.28 -0.09 0.00 -0.04 0.00 0.00 63.50 61.27 3fj1 n PRO 205 Cb 0.41 -2.95 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 3fj1 n PRO 205 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3fj1 s SER 206 N 2.71 -0.03 -0.01 3.54 0.01 -1.26 -4.46 113.70 114.20 3fj1 s SER 206 Ca 0.60 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.23 3fj1 s SER 206 Cb 0.16 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.82 3fj1 s SER 206 CO -0.06 -0.86 -0.04 -0.22 0.41 0.00 0.00 173.24 172.46 3fj1 s LEU 207 N -2.89 1.91 -0.14 2.44 2.96 -0.64 -4.03 118.68 118.29 3fj1 s LEU 207 Ca 0.10 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3fj1 s LEU 207 Cb 0.03 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 3fj1 s LEU 207 CO -0.06 0.04 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.61 3fj1 s PHE 208 N 0.03 3.01 0.07 5.38 0.08 -0.67 -1.74 117.98 124.14 3fj1 s PHE 208 Ca 0.00 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.89 3fj1 s PHE 208 Cb -0.03 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 3fj1 s PHE 208 CO -0.00 0.05 -0.14 0.95 -0.10 0.00 0.00 175.22 175.97 3fj1 s THR 209 N 0.11 3.11 0.09 0.64 -4.23 -0.03 -0.82 115.64 114.51 3fj1 s THR 209 Ca -0.01 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 3fj1 s THR 209 Cb -0.14 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3fj1 s THR 209 CO 0.03 0.24 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.42 3fj1 s LEU 210 N -1.78 2.31 0.21 4.79 1.43 -0.01 -0.93 118.68 124.71 3fj1 s LEU 210 Ca 0.18 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3fj1 s LEU 210 Cb -0.11 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 3fj1 s LEU 210 CO 0.09 -0.04 0.37 -0.83 0.23 0.00 0.00 176.35 176.17 3fj1 s GLY 211 N -1.93 0.62 -0.11 -3.19 0.00 -0.91 -0.51 107.32 101.29 3fj1 s GLY 211 Ca 0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 3fj1 s GLY 211 CO 0.03 -0.78 0.24 -1.60 0.00 0.00 0.00 173.10 170.98 3fj1 s ARG 212 N -4.02 0.14 4.79 2.90 6.06 -1.26 -0.93 118.95 126.63 3fj1 s ARG 212 Ca 0.23 0.64 0.00 0.00 -2.50 0.00 0.00 55.73 54.10 3fj1 s ARG 212 Cb 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 34.95 34.92 3fj1 s ARG 212 CO 0.06 -0.25 0.00 0.41 -2.50 0.00 0.00 175.30 173.03 3fj1 n GLY 213 N 4.97 1.42 0.36 8.12 0.00 -1.26 -3.65 105.19 115.15 3fj1 n GLY 213 Ca -0.12 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.31 3fj1 n GLY 213 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fj1 h THR 214 N 0.00 0.76 0.00 2.61 2.02 -1.95 -0.77 112.91 115.58 3fj1 h THR 214 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3fj1 h THR 214 Cb 0.00 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.29 3fj1 h THR 214 CO 0.00 0.15 0.00 0.28 0.37 0.00 0.00 175.52 176.32 3fj1 h SER 215 N 0.81 0.00 0.03 4.18 0.02 -1.88 -2.06 113.55 114.66 3fj1 h SER 215 Ca 0.55 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.49 3fj1 h SER 215 Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3fj1 h SER 215 CO -0.34 0.00 -0.05 0.25 -1.14 0.00 0.00 176.83 175.55 3fj1 h LEU 216 N 0.00 0.05 -0.36 5.07 5.85 -1.33 -0.80 115.31 123.78 3fj1 h LEU 216 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3fj1 h LEU 216 Cb 0.12 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3fj1 h LEU 216 CO 0.00 0.11 0.20 0.00 -0.34 0.00 0.00 178.44 178.40 3fj1 h ALA 217 N 1.90 0.47 -0.09 1.25 0.00 -1.55 -1.10 119.26 120.14 3fj1 h ALA 217 Ca 0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3fj1 h ALA 217 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fj1 h ALA 217 CO 0.01 -0.00 -0.56 -0.39 0.00 0.00 0.00 179.25 178.31 3fj1 h VAL 218 N 0.46 1.37 -0.71 0.00 -1.51 -1.60 -1.68 116.25 112.57 3fj1 h VAL 218 Ca 0.13 -1.87 0.04 0.00 -1.23 0.00 0.00 66.70 63.77 3fj1 h VAL 218 Cb 0.07 1.92 -0.05 0.00 -2.13 0.00 0.00 31.29 31.09 3fj1 h VAL 218 CO -0.02 0.56 0.43 -1.28 -1.23 0.00 0.00 177.57 176.03 3fj1 h SER 219 N 0.20 0.68 -0.27 4.19 0.87 -0.96 0.34 113.55 118.60 3fj1 h SER 219 Ca 0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3fj1 h SER 219 Cb 1.04 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3fj1 h SER 219 CO 0.09 0.46 0.04 0.78 -0.53 0.00 0.00 176.83 177.67 3fj1 h ASN 220 N 0.82 0.44 -0.75 6.23 2.35 -0.99 -2.07 115.58 121.61 3fj1 h ASN 220 Ca 0.30 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3fj1 h ASN 220 Cb 0.09 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3fj1 h ASN 220 CO -0.14 0.59 0.33 -0.08 -1.65 0.00 0.00 177.43 176.48 3fj1 h GLU 221 N 0.27 1.11 -0.21 0.81 4.57 -1.01 -2.15 114.58 117.96 3fj1 h GLU 221 Ca 0.08 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3fj1 h GLU 221 Cb 0.34 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3fj1 h GLU 221 CO 0.01 0.89 0.14 0.00 -1.18 0.00 0.00 179.01 178.86 3fj1 h ALA 222 N 1.16 0.26 -0.76 2.92 0.00 -0.17 -0.67 119.26 122.01 3fj1 h ALA 222 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3fj1 h ALA 222 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3fj1 h ALA 222 CO -0.03 -0.26 0.41 0.00 0.00 0.00 0.00 179.25 179.37 3fj1 h ALA 223 N 1.07 0.97 0.16 0.00 0.00 -1.20 -1.23 119.26 119.03 3fj1 h ALA 223 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fj1 h ALA 223 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3fj1 h ALA 223 CO -0.02 0.50 -0.11 1.25 0.00 0.00 0.00 179.25 180.87 3fj1 h LEU 224 N 1.05 -0.28 -1.05 0.00 5.85 -1.06 -2.43 115.31 117.40 3fj1 h LEU 224 Ca 0.27 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 3fj1 h LEU 224 Cb 0.05 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3fj1 h LEU 224 CO -0.04 -0.17 -0.38 0.11 -0.34 0.00 0.00 178.44 177.61 3fj1 h LYS 225 N -0.27 0.00 -0.19 1.25 1.79 -0.98 -0.93 116.57 117.24 3fj1 h LYS 225 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3fj1 h LYS 225 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3fj1 h LYS 225 CO 0.00 0.38 0.07 0.35 -1.08 0.00 0.00 179.45 179.18 3fj1 h PHE 226 N 0.00 0.30 -0.04 -1.35 3.57 -1.14 -0.13 116.94 118.16 3fj1 h PHE 226 Ca -0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3fj1 h PHE 226 Cb 0.84 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3fj1 h PHE 226 CO 0.00 0.36 -0.03 0.87 -2.23 0.00 0.00 178.31 177.29 3fj1 h LYS 227 N 0.15 -0.03 -0.16 1.11 1.57 -1.22 -0.56 116.57 117.43 3fj1 h LYS 227 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fj1 h LYS 227 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3fj1 h LYS 227 CO -0.00 -0.02 0.10 1.49 -0.57 0.00 0.00 179.45 180.44 3fj1 h GLU 228 N -0.03 0.20 0.20 3.15 4.57 -1.05 0.53 114.58 122.15 3fj1 h GLU 228 Ca 0.03 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.87 3fj1 h GLU 228 Cb 0.07 -0.05 0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3fj1 h GLU 228 CO -0.06 0.13 -1.38 1.79 -1.18 0.00 0.00 179.01 178.31 3fj1 h THR 229 N 0.21 1.29 0.00 0.32 1.35 -1.00 -3.38 112.91 111.69 3fj1 h THR 229 Ca 0.06 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 3fj1 h THR 229 Cb -0.01 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3fj1 h THR 229 CO -0.02 0.79 -1.44 0.00 -0.25 0.00 0.00 175.52 174.60 3fj1 n GLN 231 N -1.85 -7.86 -4.26 0.00 1.13 0.18 -4.99 117.38 99.73 3fj1 n GLN 231 Ca -0.01 0.83 -0.19 0.00 -1.94 0.00 0.00 57.00 55.69 3fj1 n GLN 231 Cb 0.40 -5.88 -0.11 0.00 0.11 0.00 0.00 30.24 24.76 3fj1 n GLN 231 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fj1 s LEU 232 N -7.21 2.39 0.30 1.08 1.43 -1.26 -5.07 118.68 110.34 3fj1 s LEU 232 Ca 0.53 -0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3fj1 s LEU 232 Cb -0.23 -0.62 -0.10 0.00 0.03 0.00 0.00 46.19 45.26 3fj1 s LEU 232 CO 0.73 -0.10 1.15 -2.28 0.23 0.00 0.00 176.35 176.07 3fj1 s HIS 233 N -1.98 3.42 -0.02 0.29 5.65 -1.26 -3.86 115.29 117.52 3fj1 s HIS 233 Ca 0.09 1.63 -0.11 0.00 0.25 0.00 0.00 55.06 56.92 3fj1 s HIS 233 Cb -0.06 -3.38 0.01 0.00 -1.18 0.00 0.00 32.58 27.98 3fj1 s HIS 233 CO 0.04 -0.89 0.23 0.00 -0.65 0.00 0.00 174.74 173.47 3fj1 s ALA 234 N -1.18 -0.58 -0.00 1.58 0.00 -1.26 -1.63 121.76 118.69 3fj1 s ALA 234 Ca 0.46 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3fj1 s ALA 234 Cb -0.33 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3fj1 s ALA 234 CO 0.43 -0.22 -0.01 -1.21 0.00 0.00 0.00 175.76 174.75 3fj1 s GLU 235 N -1.14 0.10 -0.13 0.00 2.02 -0.71 -4.90 118.70 113.94 3fj1 s GLU 235 Ca -0.12 -0.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 3fj1 s GLU 235 Cb -0.06 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 3fj1 s GLU 235 CO 0.03 0.01 -0.02 0.45 0.02 0.00 0.00 175.26 175.75 3fj1 s SER 236 N 0.07 5.01 0.09 -0.19 0.15 -1.26 -0.85 113.70 116.72 3fj1 s SER 236 Ca -0.00 -0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.68 3fj1 s SER 236 Cb -0.02 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 3fj1 s SER 236 CO -0.00 0.25 -0.13 -0.31 1.20 0.00 0.00 173.24 174.24 3fj1 s TYR 237 N -0.09 1.22 0.29 3.44 1.51 -0.10 -4.96 117.35 118.66 3fj1 s TYR 237 Ca 0.03 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.29 3fj1 s TYR 237 Cb -0.13 -0.67 -0.10 0.00 -0.11 0.00 0.00 41.96 40.95 3fj1 s TYR 237 CO 0.02 0.07 1.34 0.45 -1.11 0.00 0.00 175.55 176.32 3fj1 s SER 238 N -1.99 6.75 0.57 2.29 0.15 -1.26 -2.15 113.70 118.07 3fj1 s SER 238 Ca 0.01 2.65 0.25 0.00 0.70 0.00 0.00 55.95 59.56 3fj1 s SER 238 Cb -0.08 -2.64 1.63 0.00 -1.71 0.00 0.00 66.02 63.22 3fj1 s SER 238 CO 0.02 -0.58 2.20 0.77 1.20 0.00 0.00 173.24 176.85 3fj1 h SER 239 N 4.07 0.00 1.18 5.45 4.64 -1.40 -0.80 113.55 126.69 3fj1 h SER 239 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fj1 h SER 239 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fj1 h SER 239 CO 0.70 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.66 3fj1 h ALA 240 N 1.97 1.00 0.00 5.18 0.00 -1.90 -3.31 119.26 122.20 3fj1 h ALA 240 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fj1 h ALA 240 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fj1 h ALA 240 CO -0.00 0.00 -0.75 0.39 0.00 0.00 0.00 179.25 178.89 3fj1 n GLU 241 N -2.37 2.74 0.23 0.00 -0.58 -0.40 -4.77 120.64 115.49 3fj1 n GLU 241 Ca 0.04 -0.03 0.06 0.00 -0.42 0.00 0.00 57.16 56.81 3fj1 n GLU 241 Cb 0.35 -0.95 0.56 0.00 -0.57 0.00 0.00 31.44 30.82 3fj1 n GLU 241 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3fj1 h VAL 242 N 0.00 1.08 -0.08 2.62 3.04 -1.40 -0.48 116.25 121.02 3fj1 h VAL 242 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3fj1 h VAL 242 Cb 0.21 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 3fj1 h VAL 242 CO 0.00 0.10 0.00 0.18 -1.01 0.00 0.00 177.57 176.84 3fj1 n LEU 243 N -4.42 1.29 0.00 3.16 4.77 -1.26 -4.04 117.00 116.50 3fj1 n LEU 243 Ca -0.03 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3fj1 n LEU 243 Cb 0.17 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3fj1 n LEU 243 CO 0.35 0.25 0.32 1.41 -1.33 0.00 0.00 177.39 178.39 3fj1 n HIS 244 N 0.04 0.00 -1.93 -1.77 8.25 -0.20 -5.07 115.22 114.55 3fj1 n HIS 244 Ca 0.18 -0.15 -0.30 0.00 -0.26 0.00 0.00 57.72 57.19 3fj1 n HIS 244 Cb 0.29 -0.01 0.18 0.00 1.12 0.00 0.00 29.99 31.57 3fj1 n HIS 244 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3fj1 s GLY 245 N -0.30 1.78 0.54 -1.41 0.00 -1.16 -4.96 107.32 101.81 3fj1 s GLY 245 Ca 0.00 -1.18 0.19 0.00 0.00 0.00 0.00 44.72 43.73 3fj1 s GLY 245 CO 0.00 -0.42 2.18 -0.56 0.00 0.00 0.00 173.10 174.29 3fj1 h PRO 246 N -1.63 0.00 -6.62 2.90 0.13 -1.95 -3.43 132.00 121.40 3fj1 h PRO 246 Ca -0.44 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 3fj1 h PRO 246 Cb 1.24 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 3fj1 h PRO 246 CO 0.39 0.00 -0.85 0.14 -0.23 0.00 0.00 178.00 177.45 3fj1 s VAL 247 N -4.97 2.41 -0.42 1.56 -7.23 -1.26 -5.09 120.40 105.41 3fj1 s VAL 247 Ca -0.05 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 3fj1 s VAL 247 Cb 0.17 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 35.18 3fj1 s VAL 247 CO 0.64 0.42 1.14 -0.55 -0.31 0.00 0.00 175.10 176.44 3fj1 s SER 248 N -1.13 6.71 0.29 4.85 0.15 -1.26 -4.89 113.70 118.42 3fj1 s SER 248 Ca 0.12 0.70 0.09 0.00 0.70 0.00 0.00 55.95 57.56 3fj1 s SER 248 Cb -0.10 -2.55 0.44 0.00 -1.71 0.00 0.00 66.02 62.10 3fj1 s SER 248 CO 0.02 -1.14 1.67 0.16 1.20 0.00 0.00 173.24 175.15 3fj1 h ILE 249 N 6.08 1.36 0.21 6.45 3.07 -1.96 -2.33 117.51 130.39 3fj1 h ILE 249 Ca -0.23 -1.75 -0.01 0.00 1.55 0.00 0.00 64.86 64.43 3fj1 h ILE 249 Cb 1.06 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 3fj1 h ILE 249 CO 1.09 0.51 -0.10 0.58 -1.05 0.00 0.00 178.15 179.18 3fj1 h VAL 250 N 0.09 0.79 0.00 0.16 2.07 -1.94 -2.81 116.25 114.61 3fj1 h VAL 250 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3fj1 h VAL 250 Cb 0.93 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3fj1 h VAL 250 CO 0.07 0.01 0.00 -0.33 0.02 0.00 0.00 177.57 177.34 3fj1 h GLU 251 N -0.30 0.00 0.00 1.57 4.39 -1.92 -2.03 114.58 116.30 3fj1 h GLU 251 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3fj1 h GLU 251 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3fj1 h GLU 251 CO 0.05 0.00 -0.26 0.93 -1.16 0.00 0.00 179.01 178.57 3fj1 h GLU 252 N 0.00 0.00 -0.65 2.33 4.39 -1.15 -3.47 114.58 116.02 3fj1 h GLU 252 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3fj1 h GLU 252 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3fj1 h GLU 252 CO 0.00 0.26 -0.14 0.41 -1.16 0.00 0.00 179.01 178.38 3fj1 n GLY 253 N -0.71 0.35 3.68 -3.84 0.00 -0.76 -5.04 105.19 98.86 3fj1 n GLY 253 Ca -0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3fj1 n GLY 253 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fj1 s PHE 254 N -2.27 3.00 0.57 1.61 0.08 -1.26 -4.89 117.98 114.82 3fj1 s PHE 254 Ca 0.00 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 56.83 3fj1 s PHE 254 Cb 0.00 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3fj1 s PHE 254 CO 0.00 0.47 1.36 -0.35 -0.10 0.00 0.00 175.22 176.60 3fj1 n PRO 255 N 0.68 1.58 -5.12 0.24 -0.04 -1.26 -4.65 135.00 126.44 3fj1 n PRO 255 Ca -0.11 0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 63.61 3fj1 n PRO 255 Cb 0.52 -2.58 -0.16 0.00 -0.04 0.00 0.00 33.50 31.24 3fj1 n PRO 255 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fj1 s VAL 256 N -1.30 2.33 -0.24 0.52 1.01 0.11 -1.66 120.40 121.16 3fj1 s VAL 256 Ca 0.74 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3fj1 s VAL 256 Cb -0.41 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.13 3fj1 s VAL 256 CO 0.47 0.56 -0.10 -0.22 0.00 0.00 0.00 175.10 175.81 3fj1 s LEU 257 N 0.13 2.96 -0.36 3.92 0.20 0.00 -0.91 118.68 124.63 3fj1 s LEU 257 Ca -0.11 -1.23 -0.20 0.00 0.69 0.00 0.00 54.13 53.28 3fj1 s LEU 257 Cb -0.16 -1.39 0.00 0.00 -0.43 0.00 0.00 46.19 44.21 3fj1 s LEU 257 CO 0.06 -0.19 0.59 -0.83 -0.29 0.00 0.00 176.35 175.70 3fj1 s GLY 258 N 1.24 1.77 -0.51 7.98 0.00 0.48 -0.83 107.32 117.45 3fj1 s GLY 258 Ca -0.06 -0.92 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 3fj1 s GLY 258 CO -0.06 1.41 1.00 -1.36 0.00 0.00 0.00 173.10 174.09 3fj1 s PHE 259 N 2.60 2.81 -0.20 1.90 0.08 0.33 -1.23 117.98 124.27 3fj1 s PHE 259 Ca 0.22 0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.58 3fj1 s PHE 259 Cb -0.15 -4.16 0.03 0.00 -0.57 0.00 0.00 43.02 38.17 3fj1 s PHE 259 CO 0.14 -1.29 -0.18 0.00 -0.10 0.00 0.00 175.22 173.79 3fj1 s ALA 260 N 4.12 2.38 0.65 5.36 0.00 -1.26 -4.34 121.76 128.66 3fj1 s ALA 260 Ca 0.37 -1.34 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3fj1 s ALA 260 Cb -0.10 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.78 3fj1 s ALA 260 CO 0.24 -0.54 0.98 0.00 0.00 0.00 0.00 175.76 176.44 3fj1 s ALA 261 N 1.25 3.17 -1.50 0.00 0.00 -1.26 -4.66 121.76 118.76 3fj1 s ALA 261 Ca 0.02 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 3fj1 s ALA 261 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.30 3fj1 s ALA 261 CO -0.11 -1.05 2.66 0.41 0.00 0.00 0.00 175.76 177.68 3fj1 n GLY 262 N -2.78 4.62 0.04 0.00 0.00 -1.26 -4.03 105.19 101.77 3fj1 n GLY 262 Ca 0.06 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 3fj1 n GLY 262 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fj1 n ASP 263 N 3.15 0.82 0.21 1.61 5.75 -1.26 -4.46 116.55 122.37 3fj1 n ASP 263 Ca 0.70 -1.03 0.15 0.00 -0.01 0.00 0.00 54.79 54.60 3fj1 n ASP 263 Cb 0.25 0.01 0.72 0.00 -1.03 0.00 0.00 41.12 41.08 3fj1 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fj1 h ALA 264 N 1.01 1.00 0.00 2.12 0.00 -1.99 -2.30 119.26 119.10 3fj1 h ALA 264 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fj1 h ALA 264 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fj1 h ALA 264 CO 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 179.25 178.90 3fj1 n ALA 265 N -1.90 2.78 -0.09 0.00 0.00 -1.26 -4.34 120.51 115.70 3fj1 n ALA 265 Ca -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 3fj1 n ALA 265 Cb 0.14 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3fj1 n ALA 265 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fj1 h GLU 266 N 0.00 -0.01 0.26 0.00 4.81 -1.55 -0.64 114.58 117.45 3fj1 h GLU 266 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3fj1 h GLU 266 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3fj1 h GLU 266 CO 0.00 -0.01 -0.12 0.00 -0.73 0.00 0.00 179.01 178.15 3fj1 h ALA 267 N 1.30 -0.35 -0.05 2.92 0.00 -1.81 -1.34 119.26 119.93 3fj1 h ALA 267 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fj1 h ALA 267 Cb 0.25 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fj1 h ALA 267 CO -0.34 -0.59 -0.06 -1.00 0.00 0.00 0.00 179.25 177.27 3fj1 h PRO 268 N -0.57 0.07 -0.13 0.00 0.13 -1.79 0.64 132.00 130.35 3fj1 h PRO 268 Ca -0.04 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3fj1 h PRO 268 Cb 0.42 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3fj1 h PRO 268 CO 0.06 0.13 0.04 1.25 -0.23 0.00 0.00 178.00 179.25 3fj1 h LEU 269 N 0.07 0.19 -0.93 1.56 7.12 -0.94 -2.54 115.31 119.83 3fj1 h LEU 269 Ca 0.02 -0.20 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 3fj1 h LEU 269 Cb 0.15 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.19 3fj1 h LEU 269 CO 0.01 0.34 0.54 0.00 -0.13 0.00 0.00 178.44 179.20 3fj1 h ALA 270 N 0.86 1.18 -0.20 1.25 0.00 -0.81 -0.97 119.26 120.56 3fj1 h ALA 270 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fj1 h ALA 270 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3fj1 h ALA 270 CO -0.00 0.65 0.12 1.49 0.00 0.00 0.00 179.25 181.51 3fj1 h GLU 271 N 1.28 0.24 -0.47 0.00 4.81 -0.78 -0.09 114.58 119.56 3fj1 h GLU 271 Ca 0.33 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 3fj1 h GLU 271 Cb -0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3fj1 h GLU 271 CO -0.06 0.16 -0.25 0.82 -0.73 0.00 0.00 179.01 178.95 3fj1 h ILE 272 N 0.24 1.27 -0.39 2.32 1.08 -1.23 -1.77 117.51 119.03 3fj1 h ILE 272 Ca 0.08 -1.42 0.07 0.00 -0.39 0.00 0.00 64.86 63.20 3fj1 h ILE 272 Cb -0.00 1.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.86 3fj1 h ILE 272 CO -0.04 0.49 0.04 0.00 -0.69 0.00 0.00 178.15 177.95 3fj1 h ALA 273 N 0.85 0.39 -0.57 1.87 0.00 -0.93 -0.50 119.26 120.37 3fj1 h ALA 273 Ca 0.10 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fj1 h ALA 273 Cb 0.83 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3fj1 h ALA 273 CO 0.07 -0.36 0.11 -0.44 0.00 0.00 0.00 179.25 178.63 3fj1 h ASP 274 N 0.15 0.84 -0.71 0.00 3.32 -0.88 -0.40 116.42 118.74 3fj1 h ASP 274 Ca 0.19 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3fj1 h ASP 274 Cb 0.25 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3fj1 h ASP 274 CO -0.28 0.84 0.22 1.56 -1.72 0.00 0.00 179.24 179.86 3fj1 h GLN 275 N 0.85 1.11 -0.22 3.56 4.20 -0.63 0.38 115.11 124.36 3fj1 h GLN 275 Ca 0.18 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3fj1 h GLN 275 Cb 0.35 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3fj1 h GLN 275 CO 0.00 0.95 -0.03 0.82 -0.67 0.00 0.00 178.83 179.90 3fj1 h ILE 276 N 1.07 1.27 -0.92 2.54 2.04 -0.82 -2.78 117.51 119.91 3fj1 h ILE 276 Ca 0.23 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 65.17 3fj1 h ILE 276 Cb 0.30 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3fj1 h ILE 276 CO -0.01 0.31 0.60 0.00 0.00 0.00 0.00 178.15 179.05 3fj1 h ALA 277 N 0.77 1.52 0.00 1.87 0.00 -0.74 -1.49 119.26 121.19 3fj1 h ALA 277 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fj1 h ALA 277 Cb 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fj1 h ALA 277 CO 0.02 0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.54 3fj1 h ALA 278 N 1.51 1.18 -0.04 0.00 0.00 -0.66 -1.10 119.26 120.16 3fj1 h ALA 278 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3fj1 h ALA 278 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fj1 h ALA 278 CO -0.16 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.78 3fj1 n LYS 279 N -3.41 1.45 -0.27 0.00 4.76 -0.57 -4.90 118.16 115.22 3fj1 n LYS 279 Ca -0.02 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 3fj1 n LYS 279 Cb 0.18 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3fj1 n LYS 279 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fj1 n GLY 280 N 1.08 0.73 3.86 0.72 0.00 -0.42 -5.06 105.19 106.11 3fj1 n GLY 280 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3fj1 n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fj1 s ALA 281 N -2.31 3.07 -0.40 4.61 0.00 -1.20 -5.03 121.76 120.50 3fj1 s ALA 281 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.73 3fj1 s ALA 281 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.04 3fj1 s ALA 281 CO 0.00 -0.58 0.76 0.99 0.00 0.00 0.00 175.76 176.93 3fj1 s THR 282 N -3.01 4.72 -0.00 0.00 2.01 -1.26 -4.45 115.64 113.64 3fj1 s THR 282 Ca 0.56 0.63 0.02 0.00 0.31 0.00 0.00 61.69 63.21 3fj1 s THR 282 Cb -0.11 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 3fj1 s THR 282 CO 0.47 -0.55 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.09 3fj1 s VAL 283 N 3.13 0.59 0.05 3.82 1.01 -1.26 -0.71 120.40 127.03 3fj1 s VAL 283 Ca 0.30 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3fj1 s VAL 283 Cb -0.13 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3fj1 s VAL 283 CO 0.19 0.13 -0.12 -0.36 0.00 0.00 0.00 175.10 174.94 3fj1 s PHE 284 N -0.26 1.01 -0.04 5.22 0.40 -0.09 -1.47 117.98 122.75 3fj1 s PHE 284 Ca 0.02 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.79 3fj1 s PHE 284 Cb -0.03 -0.58 0.02 0.00 0.51 0.00 0.00 43.02 42.93 3fj1 s PHE 284 CO -0.00 0.01 0.26 0.00 0.70 0.00 0.00 175.22 176.18 3fj1 s ALA 285 N -1.20 -0.64 -1.30 5.36 0.00 -0.15 -0.39 121.76 123.44 3fj1 s ALA 285 Ca -0.04 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 3fj1 s ALA 285 Cb -0.09 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.99 3fj1 s ALA 285 CO 0.01 -0.21 2.63 0.25 0.00 0.00 0.00 175.76 178.44 3fj1 n THR 286 N 1.81 4.77 -3.56 0.00 -2.24 -0.37 -1.24 114.28 113.46 3fj1 n THR 286 Ca -0.19 -3.63 -0.16 0.00 -2.27 0.00 0.00 64.05 57.80 3fj1 n THR 286 Cb 0.56 -2.19 -0.06 0.00 -2.10 0.00 0.00 70.33 66.54 3fj1 n THR 286 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3fj1 s THR 287 N -0.20 0.00 -2.21 4.28 -1.32 -1.26 -4.34 115.64 110.59 3fj1 s THR 287 Ca 0.59 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.37 3fj1 s THR 287 Cb 0.20 -1.00 0.67 0.00 -1.51 0.00 0.00 72.50 70.86 3fj1 s THR 287 CO -0.09 0.00 1.94 0.61 -2.21 0.00 0.00 174.62 174.87 3fj1 n GLY 288 N 1.50 -0.49 0.09 6.08 0.00 -1.26 -3.83 105.19 107.28 3fj1 n GLY 288 Ca -0.17 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.65 3fj1 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fj1 n ARG 289 N -0.40 0.20 -2.34 1.61 1.74 -1.26 -4.80 116.66 111.40 3fj1 n ARG 289 Ca 0.20 0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 57.10 3fj1 n ARG 289 Cb 0.25 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 3fj1 n ARG 289 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3fj1 s VAL 290 N -3.11 3.23 -0.03 1.55 -7.23 -1.25 -4.92 120.40 108.63 3fj1 s VAL 290 Ca 0.10 1.15 0.01 0.00 -1.81 0.00 0.00 61.98 61.43 3fj1 s VAL 290 Cb 0.13 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 3fj1 s VAL 290 CO 0.55 0.21 0.03 0.35 -0.31 0.00 0.00 175.10 175.93 3fj1 n THR 291 N 0.69 0.00 0.02 5.32 -2.24 -1.26 -4.84 114.28 111.96 3fj1 n THR 291 Ca 0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3fj1 n THR 291 Cb 0.45 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3fj1 n THR 291 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fj1 n ARG 292 N -1.06 0.00 -1.52 -0.78 1.74 -1.26 -5.03 116.66 108.75 3fj1 n ARG 292 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3fj1 n ARG 292 Cb 0.01 -0.44 0.09 0.00 -1.02 0.00 0.00 32.46 31.10 3fj1 n ARG 292 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fj1 s ALA 293 N -2.00 2.19 0.32 7.54 0.00 -1.26 -4.98 121.76 123.56 3fj1 s ALA 293 Ca 0.00 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 3fj1 s ALA 293 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3fj1 s ALA 293 CO 0.00 -1.79 0.96 1.03 0.00 0.00 0.00 175.76 175.95 3fj1 s ARG 294 N -3.77 4.59 -0.02 0.00 0.52 -0.54 -4.84 118.95 114.89 3fj1 s ARG 294 Ca 0.76 1.37 -0.27 0.00 -0.52 0.00 0.00 55.73 57.07 3fj1 s ARG 294 Cb -0.31 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3fj1 s ARG 294 CO 0.43 0.28 0.87 0.08 0.02 0.00 0.00 175.30 176.98 3fj1 s VAL 295 N -1.56 4.93 -0.18 3.52 1.01 -1.26 -0.97 120.40 125.88 3fj1 s VAL 295 Ca 0.50 1.81 -0.15 0.00 0.00 0.00 0.00 61.98 64.14 3fj1 s VAL 295 Cb -0.20 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3fj1 s VAL 295 CO 0.25 0.20 0.34 -0.76 0.00 0.00 0.00 175.10 175.14 3fj1 s LEU 296 N 0.88 4.20 0.30 3.92 1.43 -0.37 -4.87 118.68 124.16 3fj1 s LEU 296 Ca 0.46 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.77 3fj1 s LEU 296 Cb -0.20 -2.44 -0.12 0.00 0.03 0.00 0.00 46.19 43.46 3fj1 s LEU 296 CO 0.24 0.01 1.44 1.21 0.23 0.00 0.00 176.35 179.49 3fj1 n GLU 297 N 4.01 2.32 -3.83 1.70 2.13 -1.26 -4.37 120.64 121.34 3fj1 n GLU 297 Ca -0.10 0.82 -0.09 0.00 0.66 0.00 0.00 57.16 58.45 3fj1 n GLU 297 Cb 0.51 -2.50 -0.05 0.00 0.27 0.00 0.00 31.44 29.67 3fj1 n GLU 297 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3fj1 s HIS 298 N -0.43 0.07 -0.14 4.31 -3.43 -1.26 -4.99 115.29 109.42 3fj1 s HIS 298 Ca 0.62 -0.42 0.02 0.00 -0.80 0.00 0.00 55.06 54.48 3fj1 s HIS 298 Cb -0.56 0.26 0.01 0.00 -1.43 0.00 0.00 32.58 30.85 3fj1 s HIS 298 CO 0.54 -0.88 -0.21 0.08 -2.00 0.00 0.00 174.74 172.27 3fj1 s VAL 299 N -3.91 2.20 0.42 -5.38 1.01 -1.26 -5.09 120.40 108.39 3fj1 s VAL 299 Ca 0.13 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3fj1 s VAL 299 Cb 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 3fj1 s VAL 299 CO -0.01 0.54 0.86 -0.13 0.00 0.00 0.00 175.10 176.37 3fj1 s ARG 300 N 0.77 3.97 0.00 2.72 1.81 -1.26 -4.73 118.95 122.24 3fj1 s ARG 300 Ca -0.08 0.79 0.14 0.00 -1.72 0.00 0.00 55.73 54.86 3fj1 s ARG 300 Cb -0.16 -2.28 -0.13 0.00 -0.45 0.00 0.00 34.95 31.93 3fj1 s ARG 300 CO -0.01 -0.06 0.65 -1.13 -0.68 0.00 0.00 175.30 174.07 3fj1 n SER 301 N -1.04 0.82 0.00 0.23 3.41 -1.26 -5.00 113.62 110.79 3fj1 n SER 301 Ca 0.05 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 3fj1 n SER 301 Cb 0.54 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 3fj1 n SER 301 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fj1 n GLY 302 N 1.31 0.21 3.37 5.00 0.00 -1.26 -4.68 105.19 109.14 3fj1 n GLY 302 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3fj1 n GLY 302 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fj1 s HIS 303 N -2.04 -0.52 0.27 1.61 5.65 -1.26 -4.82 115.29 114.19 3fj1 s HIS 303 Ca 0.00 1.26 0.01 0.00 0.25 0.00 0.00 55.06 56.58 3fj1 s HIS 303 Cb 0.00 0.18 0.61 0.00 -1.18 0.00 0.00 32.58 32.19 3fj1 s HIS 303 CO 0.00 -0.25 1.73 0.00 -0.65 0.00 0.00 174.74 175.57 3fj1 h ALA 304 N 5.39 1.33 0.00 1.58 0.00 -1.97 -2.57 119.26 123.01 3fj1 h ALA 304 Ca -0.27 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3fj1 h ALA 304 Cb 1.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3fj1 h ALA 304 CO 0.21 -0.21 -0.08 -0.07 0.00 0.00 0.00 179.25 179.10 3fj1 h LEU 305 N 0.51 0.00 0.00 0.00 3.38 -1.96 -3.12 115.31 114.12 3fj1 h LEU 305 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3fj1 h LEU 305 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3fj1 h LEU 305 CO -0.44 0.08 -1.46 0.35 0.09 0.00 0.00 178.44 177.06 3fj1 n THR 306 N -3.19 0.24 -0.29 0.22 -2.24 -1.04 -4.51 114.28 103.48 3fj1 n THR 306 Ca 0.01 -0.46 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 3fj1 n THR 306 Cb 0.39 -0.05 0.23 0.00 -2.10 0.00 0.00 70.33 68.80 3fj1 n THR 306 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fj1 h ASP 307 N 0.00 0.39 -0.06 3.42 3.32 -1.40 -1.87 116.42 120.21 3fj1 h ASP 307 Ca 0.00 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3fj1 h ASP 307 Cb 0.94 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 3fj1 h ASP 307 CO 0.00 0.12 0.05 -0.65 -1.72 0.00 0.00 179.24 177.04 3fj1 h PRO 308 N 0.50 0.00 -0.51 3.56 0.11 -1.79 -1.96 132.00 131.91 3fj1 h PRO 308 Ca 0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.53 3fj1 h PRO 308 Cb 0.76 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 3fj1 h PRO 308 CO -0.42 0.00 0.08 -0.07 -0.21 0.00 0.00 178.00 177.38 3fj1 h LEU 309 N 0.00 0.75 -0.58 2.35 3.38 -1.64 -1.00 115.31 118.57 3fj1 h LEU 309 Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3fj1 h LEU 309 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3fj1 h LEU 309 CO -0.00 0.77 0.22 -1.28 0.09 0.00 0.00 178.44 178.24 3fj1 h SER 310 N 0.77 0.81 -0.41 -0.43 0.87 -1.42 -2.55 113.55 111.18 3fj1 h SER 310 Ca 0.16 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3fj1 h SER 310 Cb 0.34 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3fj1 h SER 310 CO 0.01 0.77 0.05 -0.07 -0.53 0.00 0.00 176.83 177.06 3fj1 h LEU 311 N 0.81 0.68 -1.19 2.23 3.38 -1.18 -2.36 115.31 117.67 3fj1 h LEU 311 Ca 0.19 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3fj1 h LEU 311 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fj1 h LEU 311 CO -0.01 0.78 -0.01 -0.29 0.09 0.00 0.00 178.44 179.00 3fj1 h ILE 312 N 0.55 1.20 -0.40 1.22 6.09 -1.11 -1.04 117.51 124.02 3fj1 h ILE 312 Ca 0.12 -0.82 -0.08 0.00 -1.37 0.00 0.00 64.86 62.71 3fj1 h ILE 312 Cb 0.40 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 3fj1 h ILE 312 CO 0.01 0.28 -0.06 0.58 -3.07 0.00 0.00 178.15 175.89 3fj1 h VAL 313 N 0.52 1.27 -0.70 2.19 2.07 -1.20 0.31 116.25 120.71 3fj1 h VAL 313 Ca 0.11 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3fj1 h VAL 313 Cb 0.35 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3fj1 h VAL 313 CO 0.01 0.38 0.28 0.28 0.02 0.00 0.00 177.57 178.54 3fj1 h SER 314 N 0.55 0.94 -0.00 0.57 0.02 -1.22 -1.15 113.55 113.26 3fj1 h SER 314 Ca 0.10 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3fj1 h SER 314 Cb 0.57 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3fj1 h SER 314 CO 0.03 0.83 0.00 0.15 -1.14 0.00 0.00 176.83 176.71 3fj1 h PHE 315 N 1.01 0.00 -0.79 3.45 3.57 -0.82 -2.70 116.94 120.65 3fj1 h PHE 315 Ca 0.24 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.84 3fj1 h PHE 315 Cb 0.18 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.85 3fj1 h PHE 315 CO 0.02 0.04 0.42 1.88 -2.23 0.00 0.00 178.31 178.44 3fj1 h TYR 316 N -0.04 0.75 0.00 0.41 0.05 -0.71 -1.00 116.97 116.43 3fj1 h TYR 316 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3fj1 h TYR 316 Cb 0.04 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.56 3fj1 h TYR 316 CO -0.06 0.26 0.00 0.45 -1.05 0.00 0.00 178.16 177.76 3fj1 n SER 317 N -4.82 0.00 0.00 3.88 2.88 -0.46 -1.36 113.62 113.74 3fj1 n SER 317 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3fj1 n SER 317 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 3fj1 n SER 317 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3fj1 n VAL 319 N 0.58 0.00 -0.19 2.46 0.31 -0.38 -1.93 118.33 119.19 3fj1 n VAL 319 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3fj1 n VAL 319 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3fj1 n VAL 319 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3fj1 h GLU 320 N 0.00 0.78 -0.59 5.55 4.22 -1.48 0.19 114.58 123.25 3fj1 h GLU 320 Ca 0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 59.36 59.24 3fj1 h GLU 320 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3fj1 h GLU 320 CO 0.00 0.68 0.12 0.00 -2.18 0.00 0.00 179.01 177.63 3fj1 h ALA 321 N 1.07 0.78 0.02 2.92 0.00 -1.65 -1.38 119.26 121.03 3fj1 h ALA 321 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fj1 h ALA 321 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fj1 h ALA 321 CO -0.02 0.51 -0.01 0.35 0.00 0.00 0.00 179.25 180.08 3fj1 h PHE 322 N 0.87 -0.03 -0.24 0.00 3.57 -1.75 -2.00 116.94 117.36 3fj1 h PHE 322 Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3fj1 h PHE 322 Cb 0.38 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3fj1 h PHE 322 CO 0.03 0.07 0.06 0.00 -2.23 0.00 0.00 178.31 176.23 3fj1 h ALA 323 N 0.86 0.32 -0.65 2.41 0.00 -0.93 -2.01 119.26 119.26 3fj1 h ALA 323 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3fj1 h ALA 323 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3fj1 h ALA 323 CO 0.01 -0.03 0.22 0.66 0.00 0.00 0.00 179.25 180.11 3fj1 h SER 324 N 0.21 0.90 1.47 0.00 4.64 -1.25 0.14 113.55 119.65 3fj1 h SER 324 Ca 0.08 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3fj1 h SER 324 Cb 0.28 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3fj1 h SER 324 CO 0.00 0.83 0.00 1.05 -0.87 0.00 0.00 176.83 177.84 3fj1 h GLU 325 N 0.94 0.00 -0.20 4.77 4.11 -1.25 -2.65 114.58 120.30 3fj1 h GLU 325 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3fj1 h GLU 325 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fj1 h GLU 325 CO -0.01 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.61 3fj1 n ARG 326 N -2.46 1.87 -0.94 1.06 5.12 -0.77 -4.92 116.66 115.63 3fj1 n ARG 326 Ca 0.05 -1.31 0.00 0.00 -1.93 0.00 0.00 57.85 54.65 3fj1 n ARG 326 Cb 0.42 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3fj1 n ARG 326 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fj1 n GLY 327 N 1.20 0.55 3.64 -0.13 0.00 -0.92 -4.99 105.19 104.53 3fj1 n GLY 327 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3fj1 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fj1 s ILE 328 N -2.45 4.75 -0.48 -0.61 1.01 0.42 -4.98 121.20 118.86 3fj1 s ILE 328 Ca 0.00 1.60 -0.16 0.00 0.00 0.00 0.00 60.65 62.09 3fj1 s ILE 328 Cb 0.00 -4.20 0.08 0.00 0.01 0.00 0.00 42.46 38.35 3fj1 s ILE 328 CO 0.00 -0.19 0.42 -0.62 0.00 0.00 0.00 174.94 174.56 3fj1 s ASP 329 N 1.41 6.16 0.55 3.58 2.15 -1.26 -3.45 116.67 125.81 3fj1 s ASP 329 Ca 0.37 -1.33 0.30 0.00 0.43 0.00 0.00 52.55 52.33 3fj1 s ASP 329 Cb -0.15 -2.19 1.47 0.00 -0.30 0.00 0.00 42.92 41.75 3fj1 s ASP 329 CO 0.09 -0.68 1.89 -0.65 -0.17 0.00 0.00 175.17 175.65 3fj1 h PRO 330 N 8.78 0.00 -0.02 4.34 0.11 -1.94 -3.51 132.00 139.76 3fj1 h PRO 330 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fj1 h PRO 330 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fj1 h PRO 330 CO 0.90 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.44